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 3i2h_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDGNYSVASN VMVPMRDGVR LAVDLYRPDA DGPVPVLLVR NPYDKFDVFA DATA SEQUENCE WSTQSTNWLE FVRDGYAVVI QDTRGLFASE GEFVPHVDDE ADAEDTLSWI DATA SEQUENCE LEQAWCDGNV GMFGVSYLGV TQWQAAVSGV GGLKAIAPSM ASADLYRAPW DATA SEQUENCE YGPGGALSVE ALLGWSAKIG TGLITSRSDA RPEDAADFVQ LAAILNDVAG DATA SEQUENCE AASVTPLAEQ PLLGRLIPWV IDQVVDHPDN DESWQSISLF ERLGGLATPA DATA SEQUENCE LITAGWYDGF VGESLRTFVA VKDNADARLV VGPWSHSNLT GRNADRKFGI DATA SEQUENCE AATYPIQEAT TMHKAFFDRH LRGETDALAG VPKVRLFVMG IDEWRDETDW DATA SEQUENCE PLPDTAYTPF YLGGSGAANT STGGGTLSTS ISGTESADTY LYDPADPVPS DATA SEQUENCE LGGTLLFHNG DNGPADQRPI HDRDDVLCYS TEVLTDPVEV TGTVSARLFV DATA SEQUENCE SSSAVDTDFT AKLVDVFPDG RAIALCDGIV RMRYRETLVN PTLIEAGEIY DATA SEQUENCE EVAIDMLATS NVFLPGHRIM VQVSSSNFPK YDRNSNTGGV IAREQLEEMC DATA SEQUENCE TAVNRIHRGP EHPSHIVLPI IKRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.121 176.094 0.045 0.000 1.182 2 V CA 0.000 62.318 62.300 0.030 0.000 1.235 2 V CB 0.000 31.835 31.823 0.020 0.000 1.184 3 D N 3.356 123.782 120.400 0.043 0.000 2.417 3 D HA 0.500 5.140 4.640 0.000 0.000 0.250 3 D C 1.175 177.516 176.300 0.067 0.000 1.166 3 D CA 2.149 56.182 54.000 0.055 0.000 0.881 3 D CB 1.245 42.072 40.800 0.044 0.000 1.164 3 D HN 1.201 nan 8.370 nan 0.000 0.467 4 G N 2.332 111.191 108.800 0.098 0.000 2.213 4 G HA2 -0.254 3.706 3.960 0.000 0.000 0.226 4 G HA3 -0.254 3.706 3.960 0.000 0.000 0.226 4 G C 0.363 175.365 174.900 0.171 0.000 0.992 4 G CA -0.494 44.680 45.100 0.123 0.000 0.632 4 G HN 0.492 nan 8.290 nan 0.000 0.511 5 N N 0.263 119.046 118.700 0.138 0.000 2.492 5 N HA 0.752 5.492 4.740 0.000 0.000 0.289 5 N C -0.287 175.353 175.510 0.216 0.000 1.133 5 N CA 0.183 53.296 53.050 0.104 0.000 0.961 5 N CB 1.107 39.608 38.487 0.023 0.000 1.186 5 N HN 0.697 nan 8.380 nan 0.000 0.493 6 Y N -2.724 117.602 120.300 0.043 0.000 2.670 6 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 6 Y C -0.788 175.128 175.900 0.027 0.000 1.185 6 Y CA -1.325 56.805 58.100 0.051 0.000 1.053 6 Y CB 0.632 39.154 38.460 0.103 0.000 1.298 6 Y HN 0.451 nan 8.280 nan 0.000 0.459 7 S N 0.339 116.148 115.700 0.181 0.000 2.599 7 S HA 0.891 5.361 4.470 0.000 0.000 0.294 7 S C -1.745 172.902 174.600 0.078 0.000 1.094 7 S CA -0.739 57.486 58.200 0.042 0.000 0.931 7 S CB 1.815 65.009 63.200 -0.010 0.000 1.093 7 S HN 0.886 nan 8.310 nan 0.000 0.488 8 V N 1.100 120.989 119.914 -0.041 0.000 2.483 8 V HA 0.798 4.918 4.120 0.000 0.000 0.297 8 V C -0.074 175.932 176.094 -0.146 0.000 1.027 8 V CA -0.583 61.608 62.300 -0.183 0.000 0.855 8 V CB 1.141 32.799 31.823 -0.275 0.000 0.995 8 V HN 1.239 nan 8.190 nan 0.000 0.424 9 A N 3.485 126.217 122.820 -0.146 0.000 2.287 9 A HA 0.818 5.139 4.320 0.000 0.000 0.317 9 A C 0.052 177.616 177.584 -0.033 0.000 1.220 9 A CA -0.373 51.624 52.037 -0.066 0.000 0.835 9 A CB 0.997 19.973 19.000 -0.040 0.000 1.180 9 A HN 0.707 nan 8.150 nan 0.000 0.500 10 S N 2.179 117.893 115.700 0.024 0.000 2.525 10 S HA 0.441 4.911 4.470 0.000 0.000 0.290 10 S C 0.199 174.860 174.600 0.101 0.000 1.152 10 S CA -0.621 57.650 58.200 0.119 0.000 1.072 10 S CB 0.598 63.930 63.200 0.220 0.000 1.027 10 S HN 0.751 nan 8.310 nan 0.000 0.500 11 N N 0.300 119.043 118.700 0.072 0.000 2.738 11 N HA -0.130 4.610 4.740 0.000 0.000 0.249 11 N C -0.744 174.769 175.510 0.006 0.000 1.047 11 N CA 0.281 53.339 53.050 0.013 0.000 0.707 11 N CB -1.521 36.997 38.487 0.052 0.000 0.937 11 N HN 0.373 nan 8.380 nan 0.000 0.545 12 V N 1.432 121.349 119.914 0.005 0.000 2.479 12 V HA 0.103 4.224 4.120 0.000 0.000 0.281 12 V C 0.961 176.997 176.094 -0.096 0.000 1.031 12 V CA 0.133 62.440 62.300 0.011 0.000 1.038 12 V CB 0.877 32.760 31.823 0.101 0.000 0.981 12 V HN 0.139 nan 8.190 nan 0.000 0.478 13 M N 5.905 125.451 119.600 -0.090 0.000 2.084 13 M HA 0.375 4.855 4.480 0.000 0.000 0.351 13 M C -0.583 175.557 176.300 -0.266 0.000 1.240 13 M CA -0.379 54.832 55.300 -0.149 0.000 1.083 13 M CB 0.967 33.521 32.600 -0.077 0.000 1.593 13 M HN 0.303 nan 8.290 nan 0.000 0.463 14 V N 7.106 126.776 119.914 -0.407 0.000 2.347 14 V HA 0.380 4.500 4.120 0.000 0.000 0.280 14 V C -2.028 173.870 176.094 -0.328 0.000 1.021 14 V CA -1.523 60.391 62.300 -0.644 0.000 0.847 14 V CB 1.539 32.794 31.823 -0.947 0.000 0.990 14 V HN 0.603 nan 8.190 nan 0.000 0.444 15 P HA 0.273 nan 4.420 nan 0.000 0.281 15 P C -0.507 176.757 177.300 -0.060 0.000 1.252 15 P CA -0.319 62.728 63.100 -0.089 0.000 0.778 15 P CB 0.923 32.609 31.700 -0.023 0.000 0.895 16 M N 3.196 122.769 119.600 -0.046 0.000 2.245 16 M HA 0.234 4.714 4.480 0.000 0.000 0.292 16 M C 2.170 178.469 176.300 -0.002 0.000 1.176 16 M CA -0.482 54.805 55.300 -0.021 0.000 1.035 16 M CB 0.189 32.775 32.600 -0.022 0.000 1.440 16 M HN 0.408 nan 8.290 nan 0.000 0.494 17 R N 0.681 121.185 120.500 0.007 0.000 2.159 17 R HA -0.164 4.176 4.340 0.000 0.000 0.237 17 R C 0.475 176.779 176.300 0.007 0.000 1.131 17 R CA 1.955 58.062 56.100 0.012 0.000 0.982 17 R CB -0.610 29.698 30.300 0.014 0.000 0.868 17 R HN 0.682 nan 8.270 nan 0.000 0.453 18 D N -0.783 119.618 120.400 0.002 0.000 2.328 18 D HA 0.105 4.745 4.640 0.000 0.000 0.221 18 D C 1.163 177.461 176.300 -0.003 0.000 1.072 18 D CA 0.547 54.546 54.000 -0.000 0.000 0.850 18 D CB 0.461 41.259 40.800 -0.002 0.000 0.922 18 D HN 0.441 nan 8.370 nan 0.000 0.516 19 G N -0.261 108.537 108.800 -0.004 0.000 2.217 19 G HA2 -0.280 3.680 3.960 0.000 0.000 0.246 19 G HA3 -0.280 3.680 3.960 0.000 0.000 0.246 19 G C 0.250 175.140 174.900 -0.015 0.000 0.990 19 G CA 0.153 45.249 45.100 -0.006 0.000 0.627 19 G HN 0.382 nan 8.290 nan 0.000 0.522 20 V N 2.291 122.194 119.914 -0.019 0.000 2.585 20 V HA 0.330 4.450 4.120 0.000 0.000 0.296 20 V C 1.086 177.154 176.094 -0.042 0.000 1.035 20 V CA 0.198 62.483 62.300 -0.026 0.000 1.084 20 V CB 0.906 32.716 31.823 -0.022 0.000 0.953 20 V HN 0.395 nan 8.190 nan 0.000 0.483 21 R N 4.521 124.990 120.500 -0.051 0.000 2.312 21 R HA 0.555 4.896 4.340 0.000 0.000 0.311 21 R C -1.273 174.973 176.300 -0.090 0.000 1.004 21 R CA -0.856 55.196 56.100 -0.080 0.000 0.902 21 R CB 1.188 31.443 30.300 -0.074 0.000 1.073 21 R HN 0.396 nan 8.270 nan 0.000 0.457 22 L N 2.220 123.368 121.223 -0.125 0.000 2.295 22 L HA 0.413 4.753 4.340 0.000 0.000 0.285 22 L C 0.138 176.913 176.870 -0.159 0.000 1.035 22 L CA -0.261 54.506 54.840 -0.122 0.000 0.806 22 L CB 1.707 43.700 42.059 -0.110 0.000 1.214 22 L HN 0.717 nan 8.230 nan 0.000 0.426 23 A N 3.604 126.345 122.820 -0.132 0.000 2.366 23 A HA 0.647 4.967 4.320 0.000 0.000 0.272 23 A C -0.295 177.200 177.584 -0.148 0.000 1.135 23 A CA -0.307 51.646 52.037 -0.141 0.000 0.804 23 A CB 0.430 19.349 19.000 -0.135 0.000 1.064 23 A HN 0.723 nan 8.150 nan 0.000 0.499 24 V N -0.209 119.624 119.914 -0.134 0.000 2.914 24 V HA 0.756 4.877 4.120 0.000 0.000 0.314 24 V C -1.234 174.849 176.094 -0.019 0.000 1.084 24 V CA -1.089 61.165 62.300 -0.078 0.000 0.963 24 V CB 2.185 33.970 31.823 -0.063 0.000 1.025 24 V HN 0.686 nan 8.190 nan 0.000 0.432 25 D N 2.945 123.370 120.400 0.040 0.000 2.192 25 D HA 0.642 5.282 4.640 0.000 0.000 0.246 25 D C -0.599 175.754 176.300 0.089 0.000 1.042 25 D CA 0.017 54.054 54.000 0.061 0.000 0.847 25 D CB 2.063 42.941 40.800 0.130 0.000 1.186 25 D HN 0.660 nan 8.370 nan 0.000 0.461 26 L N 2.543 123.748 121.223 -0.029 0.000 2.280 26 L HA 0.345 4.685 4.340 0.000 0.000 0.287 26 L C -0.825 175.961 176.870 -0.140 0.000 1.023 26 L CA -0.913 53.897 54.840 -0.050 0.000 0.819 26 L CB 0.552 42.507 42.059 -0.175 0.000 1.212 26 L HN 0.238 nan 8.230 nan 0.000 0.420 27 Y N 3.083 123.401 120.300 0.031 0.000 2.504 27 Y HA 0.439 4.990 4.550 0.000 0.000 0.339 27 Y C 0.189 176.096 175.900 0.011 0.000 0.974 27 Y CA -0.514 57.645 58.100 0.099 0.000 1.232 27 Y CB 0.727 39.295 38.460 0.180 0.000 1.108 27 Y HN 0.425 nan 8.280 nan 0.000 0.509 28 R N 4.870 125.424 120.500 0.090 0.000 2.480 28 R HA 0.415 4.756 4.340 0.000 0.000 0.306 28 R C -2.821 173.552 176.300 0.122 0.000 0.958 28 R CA -2.131 53.965 56.100 -0.007 0.000 0.861 28 R CB 1.643 31.793 30.300 -0.251 0.000 1.171 28 R HN 0.315 nan 8.270 nan 0.000 0.445 29 P HA -0.012 nan 4.420 nan 0.000 0.271 29 P C -0.863 176.509 177.300 0.120 0.000 1.218 29 P CA -0.265 62.937 63.100 0.170 0.000 0.780 29 P CB 0.651 32.432 31.700 0.136 0.000 0.901 30 D N 1.270 121.740 120.400 0.118 0.000 2.349 30 D HA 0.307 4.947 4.640 0.000 0.000 0.266 30 D C 0.114 176.452 176.300 0.063 0.000 1.293 30 D CA 0.840 54.883 54.000 0.073 0.000 0.926 30 D CB -0.230 40.603 40.800 0.056 0.000 1.090 30 D HN 0.312 nan 8.370 nan 0.000 0.502 31 A N 3.180 126.035 122.820 0.059 0.000 2.381 31 A HA 0.320 4.641 4.320 0.000 0.000 0.299 31 A C -0.641 176.974 177.584 0.053 0.000 1.049 31 A CA -0.963 51.108 52.037 0.057 0.000 0.715 31 A CB 1.235 20.277 19.000 0.069 0.000 1.222 31 A HN 0.218 nan 8.150 nan 0.000 0.428 32 D N 1.744 122.168 120.400 0.040 0.000 2.348 32 D HA 0.470 5.110 4.640 0.000 0.000 0.253 32 D C 0.821 177.142 176.300 0.035 0.000 1.161 32 D CA 1.876 55.897 54.000 0.034 0.000 0.876 32 D CB 1.180 41.995 40.800 0.024 0.000 1.160 32 D HN 1.355 nan 8.370 nan 0.000 0.459 33 G N 3.201 112.024 108.800 0.038 0.000 2.721 33 G HA2 -0.130 3.830 3.960 0.000 0.000 0.686 33 G HA3 -0.130 3.830 3.960 0.000 0.000 0.686 33 G C -2.835 172.095 174.900 0.049 0.000 1.236 33 G CA -1.174 43.945 45.100 0.032 0.000 0.786 33 G HN 0.347 nan 8.290 nan 0.000 0.616 34 P HA 0.510 nan 4.420 nan 0.000 0.272 34 P C 0.348 177.677 177.300 0.047 0.000 1.230 34 P CA 0.249 63.383 63.100 0.057 0.000 0.788 34 P CB 1.349 33.049 31.700 0.000 0.000 0.949 35 V N -3.206 116.759 119.914 0.084 0.000 3.102 35 V HA 0.667 4.788 4.120 0.000 0.000 0.312 35 V C -2.739 173.379 176.094 0.041 0.000 1.135 35 V CA -3.175 59.150 62.300 0.042 0.000 1.022 35 V CB 1.621 33.486 31.823 0.069 0.000 1.056 35 V HN 0.362 nan 8.190 nan 0.000 0.436 36 P HA 0.344 nan 4.420 nan 0.000 0.272 36 P C -0.872 176.527 177.300 0.165 0.000 1.223 36 P CA -0.034 63.075 63.100 0.014 0.000 0.784 36 P CB 1.319 32.962 31.700 -0.094 0.000 0.923 37 V N 2.957 122.983 119.914 0.188 0.000 2.709 37 V HA 0.403 4.523 4.120 0.000 0.000 0.308 37 V C 0.157 176.328 176.094 0.128 0.000 1.062 37 V CA -0.701 61.742 62.300 0.238 0.000 0.901 37 V CB 1.874 33.866 31.823 0.282 0.000 1.003 37 V HN 0.343 nan 8.190 nan 0.000 0.425 38 L N 4.803 126.101 121.223 0.125 0.000 2.341 38 L HA 0.659 5.000 4.340 0.000 0.000 0.278 38 L C -0.867 176.043 176.870 0.067 0.000 1.005 38 L CA -0.636 54.220 54.840 0.026 0.000 0.818 38 L CB 1.818 43.896 42.059 0.032 0.000 1.259 38 L HN 0.474 nan 8.230 nan 0.000 0.418 39 L N 4.152 125.365 121.223 -0.017 0.000 2.329 39 L HA 0.742 5.082 4.340 0.000 0.000 0.279 39 L C -0.922 175.793 176.870 -0.258 0.000 1.014 39 L CA -0.313 54.484 54.840 -0.072 0.000 0.814 39 L CB 1.989 44.040 42.059 -0.013 0.000 1.257 39 L HN 0.292 nan 8.230 nan 0.000 0.424 40 V N 5.242 124.951 119.914 -0.342 0.000 2.531 40 V HA 0.593 4.713 4.120 0.000 0.000 0.301 40 V C -0.401 175.485 176.094 -0.348 0.000 1.034 40 V CA -0.665 61.322 62.300 -0.521 0.000 0.865 40 V CB 1.730 33.059 31.823 -0.825 0.000 0.995 40 V HN 0.707 nan 8.190 nan 0.000 0.424 41 R N 3.540 123.862 120.500 -0.296 0.000 2.343 41 R HA 0.498 4.839 4.340 0.000 0.000 0.320 41 R C -0.575 175.614 176.300 -0.185 0.000 0.956 41 R CA -0.365 55.629 56.100 -0.177 0.000 0.836 41 R CB 1.662 31.917 30.300 -0.077 0.000 1.151 41 R HN 0.788 nan 8.270 nan 0.000 0.450 42 N N 3.683 122.260 118.700 -0.205 0.000 2.410 42 N HA 0.270 5.011 4.740 0.000 0.000 0.287 42 N C -2.159 173.165 175.510 -0.310 0.000 1.044 42 N CA -1.909 50.974 53.050 -0.279 0.000 0.881 42 N CB 2.079 40.376 38.487 -0.317 0.000 1.405 42 N HN 0.263 nan 8.380 nan 0.000 0.490 43 P HA 0.115 nan 4.420 nan 0.000 0.262 43 P C -0.678 176.255 177.300 -0.612 0.000 1.304 43 P CA 0.301 62.963 63.100 -0.729 0.000 0.859 43 P CB -0.098 30.889 31.700 -1.188 0.000 1.310 44 Y N -0.151 120.077 120.300 -0.120 0.000 2.720 44 Y HA 0.391 4.941 4.550 0.000 0.000 0.268 44 Y C 0.051 175.719 175.900 -0.388 0.000 1.142 44 Y CA -1.313 56.729 58.100 -0.096 0.000 1.193 44 Y CB -0.360 38.097 38.460 -0.004 0.000 1.176 44 Y HN -0.089 nan 8.280 nan 0.000 0.542 45 D N 1.450 121.475 120.400 -0.625 0.000 4.874 45 D HA -0.180 4.461 4.640 0.000 0.000 0.228 45 D C 0.834 176.926 176.300 -0.348 0.000 1.423 45 D CA 0.654 54.064 54.000 -0.984 0.000 1.130 45 D CB 0.331 40.245 40.800 -1.478 0.000 0.564 45 D HN 0.611 nan 8.370 nan 0.000 0.272 46 K N 2.301 122.528 120.400 -0.288 0.000 2.211 46 K HA -0.182 4.138 4.320 0.000 0.000 0.204 46 K C 1.849 178.493 176.600 0.074 0.000 1.047 46 K CA 1.198 57.426 56.287 -0.098 0.000 0.935 46 K CB -0.287 32.123 32.500 -0.151 0.000 0.728 46 K HN 0.283 nan 8.250 nan 0.000 0.452 47 F N 2.200 122.119 119.950 -0.052 0.000 2.234 47 F HA -0.063 4.464 4.527 0.000 0.000 0.299 47 F C 1.059 176.815 175.800 -0.072 0.000 1.087 47 F CA 0.583 58.560 58.000 -0.039 0.000 1.340 47 F CB -0.638 38.313 39.000 -0.080 0.000 1.031 47 F HN 0.105 nan 8.300 nan 0.000 0.500 48 D N 0.674 121.136 120.400 0.103 0.000 2.619 48 D HA 0.094 4.734 4.640 0.000 0.000 0.224 48 D C 1.423 177.761 176.300 0.064 0.000 1.133 48 D CA 0.074 54.083 54.000 0.015 0.000 1.017 48 D CB 0.202 41.005 40.800 0.003 0.000 1.077 48 D HN 0.095 nan 8.370 nan 0.000 0.503 49 V N 0.045 119.924 119.914 -0.060 0.000 2.667 49 V HA -0.091 4.029 4.120 0.000 0.000 0.252 49 V C 1.798 177.757 176.094 -0.225 0.000 1.065 49 V CA 0.837 63.103 62.300 -0.058 0.000 1.083 49 V CB -1.013 30.869 31.823 0.098 0.000 0.692 49 V HN 0.151 nan 8.190 nan 0.000 0.468 50 F N 1.904 121.778 119.950 -0.126 0.000 2.407 50 F HA 0.314 4.841 4.527 0.000 0.000 0.299 50 F C 2.616 178.324 175.800 -0.154 0.000 1.097 50 F CA 0.289 58.185 58.000 -0.173 0.000 1.422 50 F CB -1.420 37.517 39.000 -0.105 0.000 1.067 50 F HN 0.255 nan 8.300 nan 0.000 0.539 51 A N 0.633 123.506 122.820 0.089 0.000 1.933 51 A HA -0.166 4.154 4.320 0.000 0.000 0.218 51 A C 2.007 179.656 177.584 0.109 0.000 1.175 51 A CA 1.729 53.828 52.037 0.103 0.000 0.628 51 A CB -1.061 18.025 19.000 0.143 0.000 0.814 51 A HN 0.659 nan 8.150 nan 0.000 0.444 52 W N -2.444 118.887 121.300 0.051 0.000 2.901 52 W HA 0.296 4.956 4.660 0.000 0.000 0.281 52 W C 1.212 177.753 176.519 0.037 0.000 1.167 52 W CA 0.676 58.029 57.345 0.013 0.000 1.506 52 W CB -0.687 28.796 29.460 0.039 0.000 0.985 52 W HN 0.206 nan 8.180 nan 0.000 0.590 53 S N 1.835 117.125 115.700 -0.683 0.000 2.423 53 S HA -0.187 4.283 4.470 0.000 0.000 0.231 53 S C 1.946 176.404 174.600 -0.237 0.000 1.014 53 S CA 2.477 60.277 58.200 -0.667 0.000 0.965 53 S CB -0.615 62.212 63.200 -0.621 0.000 0.785 53 S HN 0.430 nan 8.310 nan 0.000 0.495 54 T N 0.029 114.465 114.554 -0.196 0.000 3.051 54 T HA -0.027 4.323 4.350 0.000 0.000 0.269 54 T C 1.189 175.752 174.700 -0.228 0.000 1.127 54 T CA 0.727 62.727 62.100 -0.167 0.000 1.107 54 T CB -0.298 68.479 68.868 -0.153 0.000 0.898 54 T HN 0.326 nan 8.240 nan 0.000 0.517 55 Q N 0.228 119.874 119.800 -0.257 0.000 2.280 55 Q HA 0.430 4.770 4.340 0.000 0.000 0.201 55 Q C 1.741 177.431 176.000 -0.517 0.000 0.890 55 Q CA 0.023 55.517 55.803 -0.515 0.000 0.947 55 Q CB 0.668 29.194 28.738 -0.354 0.000 1.081 55 Q HN 0.515 nan 8.270 nan 0.000 0.502 56 S N -0.730 114.882 115.700 -0.147 0.000 3.799 56 S HA 0.348 4.818 4.470 0.000 0.000 0.170 56 S C -0.178 174.531 174.600 0.181 0.000 0.840 56 S CA 0.621 58.895 58.200 0.123 0.000 1.025 56 S CB 0.412 63.883 63.200 0.451 0.000 1.455 56 S HN 0.302 nan 8.310 nan 0.000 0.804 57 T N 0.839 115.469 114.554 0.126 0.000 2.840 57 T HA 0.497 4.847 4.350 0.000 0.000 0.317 57 T C -1.721 172.891 174.700 -0.147 0.000 1.401 57 T CA -0.855 61.221 62.100 -0.040 0.000 1.028 57 T CB 1.055 69.823 68.868 -0.167 0.000 1.317 57 T HN 0.201 nan 8.240 nan 0.000 0.495 58 N N 2.497 121.013 118.700 -0.307 0.000 3.178 58 N HA 0.104 4.844 4.740 0.000 0.000 0.300 58 N C 1.118 176.209 175.510 -0.699 0.000 1.242 58 N CA -0.488 52.290 53.050 -0.453 0.000 1.192 58 N CB -0.050 38.234 38.487 -0.339 0.000 1.463 58 N HN 0.800 nan 8.380 nan 0.000 0.539 59 W N 0.179 121.057 121.300 -0.703 0.000 2.699 59 W HA 0.032 4.692 4.660 0.000 0.000 0.249 59 W C 0.507 176.604 176.519 -0.705 0.000 1.280 59 W CA -0.218 56.447 57.345 -1.135 0.000 1.345 59 W CB -0.659 28.458 29.460 -0.571 0.000 1.128 59 W HN 0.193 nan 8.180 nan 0.000 0.642 60 L N 1.296 122.002 121.223 -0.861 0.000 2.265 60 L HA -0.163 4.177 4.340 0.000 0.000 0.215 60 L C 2.498 179.174 176.870 -0.322 0.000 1.117 60 L CA 1.465 55.954 54.840 -0.586 0.000 0.782 60 L CB -0.645 41.062 42.059 -0.587 0.000 0.914 60 L HN 0.001 nan 8.230 nan 0.000 0.441 61 E N -0.277 119.708 120.200 -0.359 0.000 2.153 61 E HA -0.200 4.150 4.350 0.000 0.000 0.194 61 E C 2.052 178.683 176.600 0.051 0.000 0.988 61 E CA 1.047 57.346 56.400 -0.168 0.000 0.811 61 E CB -0.050 29.529 29.700 -0.201 0.000 0.746 61 E HN 0.399 nan 8.360 nan 0.000 0.466 62 F N 0.101 120.064 119.950 0.021 0.000 2.146 62 F HA -0.142 4.385 4.527 0.001 0.000 0.298 62 F C 2.306 178.224 175.800 0.197 0.000 1.096 62 F CA 0.506 58.562 58.000 0.093 0.000 1.275 62 F CB -1.154 37.813 39.000 -0.055 0.000 1.008 62 F HN -0.121 nan 8.300 nan 0.000 0.480 63 V N 0.354 120.412 119.914 0.240 0.000 2.358 63 V HA -0.216 3.904 4.120 0.000 0.000 0.246 63 V C 2.359 178.500 176.094 0.079 0.000 1.047 63 V CA 1.594 63.947 62.300 0.089 0.000 1.035 63 V CB -0.700 30.976 31.823 -0.246 0.000 0.658 63 V HN 0.232 nan 8.190 nan 0.000 0.452 64 R N 0.066 120.603 120.500 0.061 0.000 2.237 64 R HA -0.132 4.208 4.340 0.000 0.000 0.219 64 R C 1.554 177.941 176.300 0.145 0.000 1.080 64 R CA 1.384 57.564 56.100 0.134 0.000 0.995 64 R CB -0.235 30.132 30.300 0.111 0.000 0.875 64 R HN 0.493 nan 8.270 nan 0.000 0.462 65 D N -1.109 119.405 120.400 0.189 0.000 2.349 65 D HA 0.064 4.704 4.640 0.000 0.000 0.214 65 D C 0.719 177.113 176.300 0.157 0.000 1.063 65 D CA 0.674 54.792 54.000 0.196 0.000 0.847 65 D CB 0.543 41.508 40.800 0.276 0.000 0.933 65 D HN 0.292 nan 8.370 nan 0.000 0.513 66 G N -0.527 108.365 108.800 0.152 0.000 2.148 66 G HA2 -0.241 3.720 3.960 0.000 0.000 0.203 66 G HA3 -0.241 3.720 3.960 0.000 0.000 0.203 66 G C -0.258 174.631 174.900 -0.018 0.000 0.993 66 G CA -0.327 44.803 45.100 0.051 0.000 0.661 66 G HN 0.270 nan 8.290 nan 0.000 0.518 67 Y N 1.073 121.443 120.300 0.117 0.000 2.310 67 Y HA 0.628 5.178 4.550 0.001 0.000 0.326 67 Y C 0.888 176.871 175.900 0.138 0.000 1.151 67 Y CA 0.143 58.311 58.100 0.113 0.000 1.195 67 Y CB 1.486 40.006 38.460 0.100 0.000 1.210 67 Y HN 0.418 nan 8.280 nan 0.000 0.483 68 A N 2.542 125.543 122.820 0.301 0.000 2.316 68 A HA 0.675 4.995 4.320 0.000 0.000 0.284 68 A C -0.966 176.793 177.584 0.291 0.000 1.115 68 A CA -0.523 51.667 52.037 0.254 0.000 0.812 68 A CB 0.429 19.566 19.000 0.228 0.000 1.064 68 A HN 0.534 nan 8.150 nan 0.000 0.489 69 V N 2.568 122.647 119.914 0.274 0.000 2.540 69 V HA 0.435 4.555 4.120 0.000 0.000 0.302 69 V C -0.550 175.695 176.094 0.252 0.000 1.035 69 V CA -0.468 61.974 62.300 0.237 0.000 0.873 69 V CB 1.726 33.645 31.823 0.159 0.000 0.992 69 V HN 0.651 nan 8.190 nan 0.000 0.428 70 V N 6.318 126.342 119.914 0.183 0.000 2.384 70 V HA 0.545 4.665 4.120 0.000 0.000 0.287 70 V C -0.277 175.849 176.094 0.054 0.000 1.020 70 V CA -0.387 62.029 62.300 0.194 0.000 0.850 70 V CB 1.662 33.647 31.823 0.270 0.000 0.987 70 V HN 0.674 nan 8.190 nan 0.000 0.436 71 I N 4.567 125.187 120.570 0.082 0.000 2.406 71 I HA 0.520 4.690 4.170 0.000 0.000 0.290 71 I C -0.259 175.839 176.117 -0.031 0.000 0.999 71 I CA -0.401 60.882 61.300 -0.029 0.000 1.124 71 I CB 1.798 39.813 38.000 0.025 0.000 1.289 71 I HN 0.619 nan 8.210 nan 0.000 0.441 72 Q N 4.879 124.622 119.800 -0.096 0.000 2.337 72 Q HA 0.283 4.623 4.340 0.000 0.000 0.266 72 Q C -1.326 174.599 176.000 -0.125 0.000 1.023 72 Q CA -0.849 54.893 55.803 -0.100 0.000 0.829 72 Q CB 2.044 30.730 28.738 -0.086 0.000 1.306 72 Q HN 0.477 nan 8.270 nan 0.000 0.449 73 D N 3.046 123.369 120.400 -0.128 0.000 2.348 73 D HA 0.077 4.717 4.640 0.000 0.000 0.253 73 D C -0.023 176.233 176.300 -0.074 0.000 1.161 73 D CA 0.254 54.189 54.000 -0.109 0.000 0.876 73 D CB 1.216 41.963 40.800 -0.088 0.000 1.160 73 D HN 0.627 nan 8.370 nan 0.000 0.459 74 T N 0.179 114.695 114.554 -0.064 0.000 2.795 74 T HA 0.042 4.393 4.350 0.000 0.000 0.314 74 T C 0.746 175.465 174.700 0.032 0.000 1.069 74 T CA -0.796 61.309 62.100 0.009 0.000 1.071 74 T CB 0.852 69.770 68.868 0.084 0.000 0.988 74 T HN 0.353 nan 8.240 nan 0.000 0.543 75 R N 0.453 120.997 120.500 0.073 0.000 2.537 75 R HA 0.256 4.596 4.340 0.000 0.000 0.281 75 R C 1.540 177.906 176.300 0.110 0.000 0.988 75 R CA 1.342 57.479 56.100 0.061 0.000 1.077 75 R CB -0.834 29.494 30.300 0.048 0.000 0.932 75 R HN 1.232 nan 8.270 nan 0.000 0.409 76 G N 3.258 112.079 108.800 0.036 0.000 2.179 76 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 76 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 76 G C -0.169 174.685 174.900 -0.075 0.000 0.977 76 G CA 0.253 45.366 45.100 0.022 0.000 0.641 76 G HN 0.489 nan 8.290 nan 0.000 0.533 77 L N -0.931 120.220 121.223 -0.121 0.000 2.354 77 L HA 0.741 5.082 4.340 0.000 0.000 0.269 77 L C 1.499 178.306 176.870 -0.106 0.000 1.005 77 L CA -1.236 53.452 54.840 -0.253 0.000 0.819 77 L CB 1.123 42.990 42.059 -0.320 0.000 1.311 77 L HN 0.092 nan 8.230 nan 0.000 0.423 78 F N 0.839 120.689 119.950 -0.167 0.000 2.797 78 F HA -0.456 4.071 4.527 0.000 0.000 0.230 78 F C 1.824 177.545 175.800 -0.131 0.000 1.480 78 F CA 1.771 59.686 58.000 -0.142 0.000 1.923 78 F CB -1.350 37.549 39.000 -0.168 0.000 0.481 78 F HN 0.551 nan 8.300 nan 0.000 0.259 79 A N -0.150 122.696 122.820 0.044 0.000 2.208 79 A HA 0.347 4.667 4.320 0.000 0.000 0.209 79 A C 0.876 178.428 177.584 -0.054 0.000 1.161 79 A CA 0.974 52.988 52.037 -0.039 0.000 0.782 79 A CB -0.451 18.477 19.000 -0.120 0.000 0.816 79 A HN 0.365 nan 8.150 nan 0.000 0.477 80 S N 0.775 116.444 115.700 -0.052 0.000 2.584 80 S HA 0.295 4.766 4.470 0.000 0.000 0.273 80 S C 0.205 174.776 174.600 -0.049 0.000 1.311 80 S CA -0.460 57.706 58.200 -0.057 0.000 1.034 80 S CB 0.771 63.940 63.200 -0.053 0.000 0.939 80 S HN 0.593 nan 8.310 nan 0.000 0.513 81 E N 0.483 120.657 120.200 -0.045 0.000 2.385 81 E HA 0.565 4.915 4.350 0.000 0.000 0.254 81 E C 0.764 177.348 176.600 -0.026 0.000 1.228 81 E CA -0.115 56.264 56.400 -0.036 0.000 0.956 81 E CB 0.368 30.048 29.700 -0.033 0.000 1.116 81 E HN 0.834 nan 8.360 nan 0.000 0.507 82 G N 0.253 109.040 108.800 -0.021 0.000 2.627 82 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 82 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 82 G C -1.134 173.763 174.900 -0.005 0.000 1.331 82 G CA -0.762 44.331 45.100 -0.012 0.000 0.891 82 G HN 0.391 nan 8.290 nan 0.000 0.539 83 E N -0.833 119.369 120.200 0.002 0.000 2.199 83 E HA 0.555 4.905 4.350 0.000 0.000 0.269 83 E C -1.003 175.619 176.600 0.036 0.000 0.899 83 E CA -0.749 55.658 56.400 0.012 0.000 0.772 83 E CB 2.053 31.748 29.700 -0.008 0.000 1.155 83 E HN 0.505 nan 8.360 nan 0.000 0.408 84 F N 2.761 122.651 119.950 -0.101 0.000 2.420 84 F HA 0.340 4.867 4.527 0.000 0.000 0.352 84 F C -0.776 174.943 175.800 -0.135 0.000 1.108 84 F CA -0.486 57.438 58.000 -0.128 0.000 1.162 84 F CB 0.648 39.543 39.000 -0.175 0.000 1.118 84 F HN 0.085 nan 8.300 nan 0.000 0.510 85 V N 7.623 126.979 119.914 -0.930 0.000 2.623 85 V HA 0.336 4.456 4.120 0.000 0.000 0.304 85 V C -2.296 173.040 176.094 -1.263 0.000 1.054 85 V CA -2.024 59.710 62.300 -0.943 0.000 0.882 85 V CB 1.846 33.436 31.823 -0.388 0.000 1.002 85 V HN 0.639 nan 8.190 nan 0.000 0.424 86 P HA 0.121 nan 4.420 nan 0.000 0.264 86 P C 0.342 177.288 177.300 -0.590 0.000 1.183 86 P CA 0.804 63.239 63.100 -1.108 0.000 0.763 86 P CB 0.129 30.894 31.700 -1.559 0.000 0.807 87 H N -0.353 118.721 119.070 0.008 0.000 4.880 87 H HA -0.191 4.365 4.556 0.000 0.000 0.084 87 H C 1.323 176.659 175.328 0.014 0.000 0.577 87 H CA 1.843 57.916 56.048 0.041 0.000 1.124 87 H CB -2.302 27.548 29.762 0.146 0.000 0.507 87 H HN 0.373 nan 8.280 nan 0.000 0.707 88 V N -0.860 119.092 119.914 0.064 0.000 2.809 88 V HA -0.022 4.098 4.120 0.000 0.000 0.256 88 V C 1.546 177.652 176.094 0.020 0.000 1.080 88 V CA 2.408 64.732 62.300 0.041 0.000 1.102 88 V CB 0.038 31.860 31.823 -0.001 0.000 0.705 88 V HN 0.269 nan 8.190 nan 0.000 0.475 89 D N -0.198 120.205 120.400 0.005 0.000 2.398 89 D HA 0.056 4.696 4.640 0.000 0.000 0.210 89 D C 1.270 177.592 176.300 0.037 0.000 1.094 89 D CA 0.419 54.426 54.000 0.011 0.000 0.839 89 D CB 0.305 41.100 40.800 -0.008 0.000 0.963 89 D HN 0.499 nan 8.370 nan 0.000 0.506 90 D N 1.213 121.649 120.400 0.060 0.000 2.234 90 D HA -0.072 4.568 4.640 0.000 0.000 0.205 90 D C 1.687 178.018 176.300 0.052 0.000 0.962 90 D CA 0.558 54.599 54.000 0.068 0.000 0.855 90 D CB 0.418 41.271 40.800 0.089 0.000 0.951 90 D HN 0.362 nan 8.370 nan 0.000 0.500 91 E N 1.099 121.331 120.200 0.053 0.000 2.031 91 E HA -0.135 4.215 4.350 0.000 0.000 0.193 91 E C 2.166 178.789 176.600 0.038 0.000 0.994 91 E CA 0.981 57.410 56.400 0.048 0.000 0.800 91 E CB 0.008 29.739 29.700 0.052 0.000 0.752 91 E HN 0.138 nan 8.360 nan 0.000 0.447 92 A N 1.596 124.436 122.820 0.033 0.000 1.898 92 A HA -0.198 4.122 4.320 0.000 0.000 0.216 92 A C 1.718 179.316 177.584 0.023 0.000 1.181 92 A CA 1.711 53.763 52.037 0.026 0.000 0.620 92 A CB -0.364 18.648 19.000 0.020 0.000 0.819 92 A HN 0.098 nan 8.150 nan 0.000 0.442 93 D N 0.126 120.540 120.400 0.022 0.000 2.144 93 D HA -0.021 4.619 4.640 0.000 0.000 0.199 93 D C 2.189 178.499 176.300 0.017 0.000 0.984 93 D CA 1.430 55.439 54.000 0.015 0.000 0.834 93 D CB -0.383 40.427 40.800 0.016 0.000 0.955 93 D HN 0.420 nan 8.370 nan 0.000 0.465 94 A N 0.827 123.661 122.820 0.023 0.000 1.898 94 A HA -0.202 4.118 4.320 0.000 0.000 0.216 94 A C 2.121 179.723 177.584 0.030 0.000 1.181 94 A CA 1.697 53.747 52.037 0.022 0.000 0.620 94 A CB -0.579 18.431 19.000 0.017 0.000 0.819 94 A HN 0.257 nan 8.150 nan 0.000 0.442 95 E N -0.139 120.080 120.200 0.031 0.000 2.058 95 E HA -0.262 4.088 4.350 0.000 0.000 0.194 95 E C 1.253 177.880 176.600 0.044 0.000 0.997 95 E CA 1.580 58.000 56.400 0.034 0.000 0.801 95 E CB -0.150 29.568 29.700 0.031 0.000 0.746 95 E HN 0.537 nan 8.360 nan 0.000 0.450 96 D N -0.409 120.017 120.400 0.043 0.000 2.144 96 D HA -0.106 4.534 4.640 0.000 0.000 0.200 96 D C 1.929 178.284 176.300 0.093 0.000 0.978 96 D CA 1.449 55.483 54.000 0.057 0.000 0.833 96 D CB -0.463 40.357 40.800 0.034 0.000 0.961 96 D HN 0.194 nan 8.370 nan 0.000 0.470 97 T N 1.062 115.659 114.554 0.072 0.000 2.777 97 T HA -0.027 4.323 4.350 0.000 0.000 0.266 97 T C 2.247 177.056 174.700 0.182 0.000 1.040 97 T CA 0.459 62.624 62.100 0.109 0.000 1.141 97 T CB -0.231 68.664 68.868 0.045 0.000 0.868 97 T HN 0.103 nan 8.240 nan 0.000 0.444 98 L N 0.879 122.167 121.223 0.108 0.000 2.046 98 L HA -0.122 4.218 4.340 0.000 0.000 0.208 98 L C 2.880 179.795 176.870 0.075 0.000 1.077 98 L CA 1.025 55.915 54.840 0.084 0.000 0.747 98 L CB -0.648 41.437 42.059 0.043 0.000 0.896 98 L HN 0.229 nan 8.230 nan 0.000 0.432 99 S N -1.019 114.730 115.700 0.082 0.000 2.359 99 S HA -0.253 4.217 4.470 0.000 0.000 0.224 99 S C 1.529 176.173 174.600 0.073 0.000 1.035 99 S CA 1.599 59.834 58.200 0.058 0.000 1.018 99 S CB -0.504 62.733 63.200 0.062 0.000 0.876 99 S HN 0.559 nan 8.310 nan 0.000 0.448 100 W N 2.228 123.503 121.300 -0.042 0.000 2.355 100 W HA -0.097 4.564 4.660 0.001 0.000 0.309 100 W C 1.731 178.187 176.519 -0.106 0.000 1.206 100 W CA 1.162 58.476 57.345 -0.051 0.000 1.284 100 W CB -0.456 28.996 29.460 -0.013 0.000 1.145 100 W HN 0.189 nan 8.180 nan 0.000 0.502 101 I N 0.444 121.068 120.570 0.090 0.000 2.163 101 I HA -0.370 3.800 4.170 0.000 0.000 0.243 101 I C 2.397 178.238 176.117 -0.461 0.000 1.085 101 I CA 1.562 62.724 61.300 -0.230 0.000 1.347 101 I CB -0.836 37.198 38.000 0.056 0.000 1.044 101 I HN 0.004 nan 8.210 nan 0.000 0.408 102 L N 0.179 121.252 121.223 -0.250 0.000 2.265 102 L HA -0.190 4.150 4.340 0.000 0.000 0.215 102 L C 2.298 178.985 176.870 -0.305 0.000 1.117 102 L CA 1.215 55.913 54.840 -0.236 0.000 0.782 102 L CB -0.473 41.512 42.059 -0.123 0.000 0.914 102 L HN 0.286 nan 8.230 nan 0.000 0.441 103 E N -0.801 119.180 120.200 -0.364 0.000 2.358 103 E HA -0.063 4.287 4.350 0.000 0.000 0.195 103 E C 0.429 176.726 176.600 -0.506 0.000 1.010 103 E CA 0.040 56.222 56.400 -0.365 0.000 0.856 103 E CB 0.213 29.732 29.700 -0.303 0.000 0.795 103 E HN 0.419 nan 8.360 nan 0.000 0.504 104 Q N -0.104 119.220 119.800 -0.793 0.000 2.373 104 Q HA 0.131 4.471 4.340 0.000 0.000 0.255 104 Q C 0.906 176.459 176.000 -0.746 0.000 0.980 104 Q CA 0.090 55.304 55.803 -0.981 0.000 0.882 104 Q CB 0.952 28.620 28.738 -1.783 0.000 1.249 104 Q HN 0.098 nan 8.270 nan 0.000 0.438 105 A N 3.015 125.536 122.820 -0.499 0.000 1.978 105 A HA -0.148 4.172 4.320 0.000 0.000 0.220 105 A C 1.313 178.816 177.584 -0.136 0.000 1.170 105 A CA 1.494 53.400 52.037 -0.219 0.000 0.636 105 A CB -0.597 18.378 19.000 -0.041 0.000 0.810 105 A HN 0.877 nan 8.150 nan 0.000 0.448 106 W N -2.417 118.837 121.300 -0.077 0.000 3.290 106 W HA 0.383 5.043 4.660 0.000 0.000 0.287 106 W C 0.346 176.840 176.519 -0.042 0.000 1.288 106 W CA -0.496 56.824 57.345 -0.042 0.000 1.725 106 W CB -1.391 28.060 29.460 -0.014 0.000 1.103 106 W HN 0.288 nan 8.180 nan 0.000 0.670 107 C N 5.276 124.383 119.300 -0.322 0.000 2.295 107 C HA 0.208 4.669 4.460 0.000 0.000 0.331 107 C C 1.475 176.380 174.990 -0.140 0.000 1.280 107 C CA -0.398 58.483 59.018 -0.228 0.000 1.746 107 C CB 0.526 27.983 27.740 -0.471 0.000 2.328 107 C HN 0.374 nan 8.230 nan 0.000 0.521 108 D N 2.371 122.736 120.400 -0.058 0.000 2.325 108 D HA 0.203 4.843 4.640 0.000 0.000 0.225 108 D C 1.354 177.619 176.300 -0.058 0.000 1.096 108 D CA 0.699 54.668 54.000 -0.053 0.000 0.844 108 D CB -0.197 40.585 40.800 -0.031 0.000 0.925 108 D HN 1.257 nan 8.370 nan 0.000 0.513 109 G N -0.005 108.751 108.800 -0.074 0.000 2.176 109 G HA2 -0.233 3.727 3.960 0.000 0.000 0.232 109 G HA3 -0.233 3.727 3.960 0.000 0.000 0.232 109 G C -0.218 174.660 174.900 -0.036 0.000 0.986 109 G CA -0.285 44.778 45.100 -0.063 0.000 0.643 109 G HN 0.412 nan 8.290 nan 0.000 0.522 110 N N 0.322 119.009 118.700 -0.021 0.000 2.443 110 N HA 0.553 5.293 4.740 0.000 0.000 0.269 110 N C -0.705 174.815 175.510 0.016 0.000 0.985 110 N CA -0.162 52.890 53.050 0.003 0.000 0.921 110 N CB 2.561 41.057 38.487 0.015 0.000 1.195 110 N HN 0.111 nan 8.380 nan 0.000 0.492 111 V N 0.498 120.418 119.914 0.010 0.000 2.680 111 V HA 0.814 4.935 4.120 0.000 0.000 0.309 111 V C 0.584 176.670 176.094 -0.014 0.000 1.052 111 V CA -0.710 61.595 62.300 0.008 0.000 0.908 111 V CB 1.985 33.814 31.823 0.011 0.000 1.001 111 V HN 0.734 nan 8.190 nan 0.000 0.431 112 G N 2.855 111.607 108.800 -0.079 0.000 2.818 112 G HA2 0.866 4.826 3.960 0.000 0.000 0.286 112 G HA3 0.866 4.826 3.960 0.000 0.000 0.286 112 G C -1.324 173.521 174.900 -0.091 0.000 1.364 112 G CA -0.823 44.208 45.100 -0.115 0.000 0.938 112 G HN 0.521 nan 8.290 nan 0.000 0.490 113 M N -0.319 119.297 119.600 0.027 0.000 2.575 113 M HA 0.645 5.125 4.480 0.000 0.000 0.284 113 M C -1.295 175.201 176.300 0.327 0.000 1.253 113 M CA -0.592 54.740 55.300 0.053 0.000 0.861 113 M CB 2.850 35.419 32.600 -0.050 0.000 1.733 113 M HN 0.670 nan 8.290 nan 0.000 0.462 114 F N -0.974 119.018 119.950 0.070 0.000 2.711 114 F HA 1.000 5.527 4.527 0.000 0.000 0.313 114 F C -0.481 175.327 175.800 0.013 0.000 1.141 114 F CA -0.659 57.449 58.000 0.180 0.000 0.941 114 F CB 1.361 40.622 39.000 0.434 0.000 1.349 114 F HN 0.845 nan 8.300 nan 0.000 0.464 115 G N 0.023 108.879 108.800 0.092 0.000 2.339 115 G HA2 0.456 4.416 3.960 0.000 0.000 0.381 115 G HA3 0.456 4.416 3.960 0.000 0.000 0.381 115 G C -2.659 172.217 174.900 -0.040 0.000 1.400 115 G CA -0.271 44.747 45.100 -0.137 0.000 1.002 115 G HN 1.564 nan 8.290 nan 0.000 0.633 116 V N 0.191 120.070 119.914 -0.059 0.000 2.715 116 V HA 0.836 4.956 4.120 0.000 0.000 0.310 116 V C 1.241 177.312 176.094 -0.038 0.000 1.054 116 V CA 1.822 64.101 62.300 -0.034 0.000 0.928 116 V CB 1.176 32.991 31.823 -0.014 0.000 1.007 116 V HN 2.912 nan 8.190 nan 0.000 0.437 117 S N 4.091 119.741 115.700 -0.084 0.000 4.140 117 S HA -0.360 4.110 4.470 0.000 0.000 0.618 117 S C 0.954 175.556 174.600 0.003 0.000 1.896 117 S CA 1.941 60.123 58.200 -0.030 0.000 4.240 117 S CB -1.730 61.652 63.200 0.303 0.000 0.208 117 S HN 1.389 nan 8.310 nan 0.000 0.487 118 Y N 1.807 122.180 120.300 0.122 0.000 2.352 118 Y HA 0.086 4.637 4.550 0.000 0.000 0.292 118 Y C 1.923 177.815 175.900 -0.013 0.000 1.136 118 Y CA 2.036 60.204 58.100 0.114 0.000 1.227 118 Y CB -0.239 38.359 38.460 0.231 0.000 0.991 118 Y HN 0.399 nan 8.280 nan 0.000 0.545 119 L N -0.780 120.496 121.223 0.088 0.000 2.551 119 L HA 0.030 4.370 4.340 0.000 0.000 0.228 119 L C 2.380 179.141 176.870 -0.181 0.000 1.153 119 L CA 1.436 56.187 54.840 -0.150 0.000 0.851 119 L CB -1.034 40.777 42.059 -0.414 0.000 0.959 119 L HN 0.281 nan 8.230 nan 0.000 0.451 120 G N -1.634 107.085 108.800 -0.134 0.000 2.556 120 G HA2 -0.022 3.938 3.960 0.000 0.000 0.209 120 G HA3 -0.022 3.938 3.960 0.000 0.000 0.209 120 G C 1.524 176.347 174.900 -0.129 0.000 1.159 120 G CA 0.484 45.493 45.100 -0.152 0.000 0.828 120 G HN 0.118 nan 8.290 nan 0.000 0.553 121 V N 2.389 122.240 119.914 -0.105 0.000 2.324 121 V HA -0.230 3.890 4.120 0.000 0.000 0.250 121 V C 3.332 179.408 176.094 -0.031 0.000 1.060 121 V CA 2.554 64.840 62.300 -0.023 0.000 1.042 121 V CB -1.139 30.592 31.823 -0.154 0.000 0.650 121 V HN 0.626 nan 8.190 nan 0.000 0.450 122 T N -1.951 112.529 114.554 -0.124 0.000 2.929 122 T HA -0.240 4.110 4.350 0.000 0.000 0.271 122 T C 1.674 176.331 174.700 -0.072 0.000 1.085 122 T CA 1.424 63.476 62.100 -0.081 0.000 1.125 122 T CB -0.315 68.517 68.868 -0.060 0.000 0.874 122 T HN 0.598 nan 8.240 nan 0.000 0.494 123 Q N -0.108 119.605 119.800 -0.146 0.000 2.123 123 Q HA 0.004 4.345 4.340 0.000 0.000 0.199 123 Q C 1.986 177.857 176.000 -0.216 0.000 0.966 123 Q CA 1.282 56.949 55.803 -0.227 0.000 0.845 123 Q CB -0.285 28.236 28.738 -0.361 0.000 0.907 123 Q HN 0.707 nan 8.270 nan 0.000 0.439 124 W N 1.497 122.787 121.300 -0.016 0.000 2.363 124 W HA -0.158 4.502 4.660 0.000 0.000 0.296 124 W C 2.270 178.787 176.519 -0.004 0.000 1.212 124 W CA 0.636 57.978 57.345 -0.004 0.000 1.260 124 W CB 0.025 29.486 29.460 0.003 0.000 1.131 124 W HN 0.200 nan 8.180 nan 0.000 0.530 125 Q N -0.084 119.832 119.800 0.193 0.000 2.167 125 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 125 Q C 2.410 178.457 176.000 0.079 0.000 0.970 125 Q CA 1.491 57.365 55.803 0.118 0.000 0.855 125 Q CB -0.480 28.304 28.738 0.077 0.000 0.911 125 Q HN 0.328 nan 8.270 nan 0.000 0.438 126 A N 0.957 123.803 122.820 0.044 0.000 1.929 126 A HA 0.005 4.326 4.320 0.000 0.000 0.216 126 A C 2.263 179.868 177.584 0.036 0.000 1.176 126 A CA 1.262 53.313 52.037 0.023 0.000 0.628 126 A CB -0.566 18.426 19.000 -0.014 0.000 0.816 126 A HN 0.365 nan 8.150 nan 0.000 0.444 127 A N 0.033 122.885 122.820 0.053 0.000 2.015 127 A HA 0.046 4.366 4.320 0.000 0.000 0.219 127 A C 1.991 179.629 177.584 0.091 0.000 1.163 127 A CA 1.679 53.758 52.037 0.070 0.000 0.646 127 A CB -0.919 18.146 19.000 0.108 0.000 0.806 127 A HN 1.122 nan 8.150 nan 0.000 0.448 128 V N -1.372 118.603 119.914 0.102 0.000 3.623 128 V HA 0.001 4.121 4.120 0.000 0.000 0.271 128 V C 1.914 178.038 176.094 0.051 0.000 1.248 128 V CA 1.385 63.732 62.300 0.077 0.000 1.156 128 V CB -0.987 30.885 31.823 0.081 0.000 0.870 128 V HN 0.598 nan 8.190 nan 0.000 0.453 129 S N 0.652 116.379 115.700 0.046 0.000 2.447 129 S HA 0.167 4.637 4.470 0.000 0.000 0.233 129 S C 1.927 176.543 174.600 0.026 0.000 1.006 129 S CA 1.046 59.267 58.200 0.034 0.000 0.957 129 S CB -0.517 62.701 63.200 0.031 0.000 0.773 129 S HN 1.832 nan 8.310 nan 0.000 0.507 130 G N 0.320 109.135 108.800 0.025 0.000 2.148 130 G HA2 -0.235 3.725 3.960 0.000 0.000 0.254 130 G HA3 -0.235 3.725 3.960 0.000 0.000 0.254 130 G C 0.019 174.927 174.900 0.013 0.000 0.981 130 G CA 0.099 45.210 45.100 0.018 0.000 0.670 130 G HN 0.769 nan 8.290 nan 0.000 0.528 131 V N 1.293 121.215 119.914 0.014 0.000 2.415 131 V HA 0.453 4.573 4.120 0.000 0.000 0.267 131 V C 1.977 178.074 176.094 0.004 0.000 1.042 131 V CA 0.819 63.124 62.300 0.009 0.000 1.000 131 V CB 0.696 32.526 31.823 0.012 0.000 1.015 131 V HN 0.535 nan 8.190 nan 0.000 0.478 132 G N 4.292 113.092 108.800 -0.000 0.000 2.448 132 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 132 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 132 G C 1.492 176.389 174.900 -0.005 0.000 1.127 132 G CA 0.772 45.870 45.100 -0.003 0.000 0.766 132 G HN 0.855 nan 8.290 nan 0.000 0.552 133 G N -0.088 108.707 108.800 -0.009 0.000 2.509 133 G HA2 0.061 4.021 3.960 0.000 0.000 0.218 133 G HA3 0.061 4.021 3.960 0.000 0.000 0.218 133 G C 0.677 175.575 174.900 -0.004 0.000 1.124 133 G CA -0.028 45.065 45.100 -0.013 0.000 0.776 133 G HN 0.412 nan 8.290 nan 0.000 0.547 134 L N 0.971 122.194 121.223 0.000 0.000 2.407 134 L HA 0.365 4.705 4.340 0.000 0.000 0.282 134 L C 0.946 177.819 176.870 0.005 0.000 1.110 134 L CA -0.245 54.598 54.840 0.004 0.000 0.863 134 L CB 0.775 42.837 42.059 0.004 0.000 1.207 134 L HN -0.173 nan 8.230 nan 0.000 0.454 135 K N 4.269 124.677 120.400 0.013 0.000 2.354 135 K HA 0.515 4.835 4.320 0.000 0.000 0.194 135 K C -0.000 176.592 176.600 -0.013 0.000 1.045 135 K CA 0.611 56.903 56.287 0.009 0.000 1.026 135 K CB 0.514 33.035 32.500 0.035 0.000 0.866 135 K HN 0.601 nan 8.250 nan 0.000 0.530 136 A N 1.168 124.015 122.820 0.045 0.000 2.594 136 A HA 0.608 4.928 4.320 0.000 0.000 0.296 136 A C -1.109 176.614 177.584 0.230 0.000 1.056 136 A CA -0.948 51.155 52.037 0.111 0.000 0.693 136 A CB 0.840 19.920 19.000 0.132 0.000 1.278 136 A HN 0.168 nan 8.150 nan 0.000 0.408 137 I N -1.895 118.805 120.570 0.218 0.000 3.002 137 I HA 0.970 5.140 4.170 0.000 0.000 0.310 137 I C -0.064 176.130 176.117 0.128 0.000 1.087 137 I CA -1.144 60.227 61.300 0.119 0.000 1.017 137 I CB 2.587 40.469 38.000 -0.197 0.000 1.226 137 I HN 1.148 nan 8.210 nan 0.000 0.443 138 A N 3.389 126.258 122.820 0.082 0.000 3.127 138 A HA 0.617 4.938 4.320 0.000 0.000 0.319 138 A C -2.904 174.688 177.584 0.013 0.000 1.104 138 A CA -1.166 50.870 52.037 -0.002 0.000 0.802 138 A CB 0.069 19.130 19.000 0.102 0.000 1.193 138 A HN 0.526 nan 8.150 nan 0.000 0.479 139 P HA 0.267 nan 4.420 nan 0.000 0.287 139 P C -0.197 177.106 177.300 0.004 0.000 1.294 139 P CA 0.198 63.220 63.100 -0.130 0.000 0.776 139 P CB 1.617 33.110 31.700 -0.345 0.000 0.889 140 S N 4.992 120.704 115.700 0.021 0.000 2.451 140 S HA 0.521 4.991 4.470 0.000 0.000 0.301 140 S C 0.504 175.086 174.600 -0.030 0.000 1.116 140 S CA -0.399 57.827 58.200 0.043 0.000 1.093 140 S CB -0.211 63.041 63.200 0.086 0.000 1.017 140 S HN 0.356 nan 8.310 nan 0.000 0.482 141 M N 1.425 121.023 119.600 -0.004 0.000 2.253 141 M HA -0.193 4.287 4.480 0.000 0.000 0.195 141 M C -0.046 175.991 176.300 -0.439 0.000 0.512 141 M CA 1.028 56.309 55.300 -0.031 0.000 0.442 141 M CB -3.221 29.408 32.600 0.049 0.000 1.189 141 M HN 0.745 nan 8.290 nan 0.000 0.923 142 A N -0.418 122.200 122.820 -0.338 0.000 2.475 142 A HA 0.949 5.269 4.320 0.000 0.000 0.281 142 A C -0.148 177.414 177.584 -0.036 0.000 1.263 142 A CA 0.101 51.837 52.037 -0.502 0.000 0.776 142 A CB 2.245 21.175 19.000 -0.117 0.000 1.347 142 A HN 0.605 nan 8.150 nan 0.000 0.443 143 S N -2.135 113.627 115.700 0.103 0.000 2.556 143 S HA 0.614 5.084 4.470 0.000 0.000 0.271 143 S C -0.137 174.505 174.600 0.069 0.000 1.135 143 S CA 0.305 58.612 58.200 0.178 0.000 0.858 143 S CB 1.741 65.118 63.200 0.295 0.000 1.114 143 S HN 2.000 nan 8.310 nan 0.000 0.468 144 A N 1.936 124.692 122.820 -0.106 0.000 2.465 144 A HA 0.404 4.724 4.320 0.000 0.000 0.255 144 A C 0.010 177.601 177.584 0.013 0.000 1.274 144 A CA -0.049 51.899 52.037 -0.148 0.000 0.920 144 A CB -0.023 18.685 19.000 -0.486 0.000 1.033 144 A HN 0.678 nan 8.150 nan 0.000 0.516 145 D N 0.433 120.836 120.400 0.006 0.000 2.386 145 D HA 0.230 4.870 4.640 0.000 0.000 0.247 145 D C 0.322 176.626 176.300 0.006 0.000 1.336 145 D CA -0.366 53.644 54.000 0.017 0.000 0.976 145 D CB 1.036 41.795 40.800 -0.068 0.000 1.257 145 D HN -0.051 nan 8.370 nan 0.000 0.570 146 L N 3.267 124.534 121.223 0.075 0.000 2.217 146 L HA -0.088 4.252 4.340 0.000 0.000 0.211 146 L C 1.887 178.748 176.870 -0.015 0.000 1.107 146 L CA 0.976 55.852 54.840 0.059 0.000 0.783 146 L CB -1.304 40.864 42.059 0.182 0.000 0.919 146 L HN 0.562 nan 8.230 nan 0.000 0.442 147 Y N 1.379 121.524 120.300 -0.258 0.000 2.114 147 Y HA -0.229 4.321 4.550 0.000 0.000 0.284 147 Y C 2.834 178.519 175.900 -0.359 0.000 1.143 147 Y CA 1.732 59.421 58.100 -0.686 0.000 1.135 147 Y CB -0.019 37.950 38.460 -0.818 0.000 0.980 147 Y HN 0.025 nan 8.280 nan 0.000 0.499 148 R N 0.105 120.561 120.500 -0.074 0.000 2.148 148 R HA 0.182 4.522 4.340 0.000 0.000 0.227 148 R C -0.068 176.107 176.300 -0.208 0.000 1.103 148 R CA 0.759 56.791 56.100 -0.115 0.000 0.983 148 R CB -0.054 30.184 30.300 -0.104 0.000 0.874 148 R HN 0.262 nan 8.270 nan 0.000 0.451 149 A N 0.167 122.834 122.820 -0.256 0.000 2.532 149 A HA 0.346 4.667 4.320 0.000 0.000 0.296 149 A C -2.496 174.758 177.584 -0.550 0.000 1.058 149 A CA -1.142 50.634 52.037 -0.436 0.000 0.729 149 A CB 1.632 20.411 19.000 -0.368 0.000 1.285 149 A HN -0.106 nan 8.150 nan 0.000 0.396 150 P HA 0.151 nan 4.420 nan 0.000 0.275 150 P C 0.336 177.208 177.300 -0.715 0.000 1.310 150 P CA 0.260 62.688 63.100 -1.120 0.000 0.904 150 P CB -0.031 30.754 31.700 -1.524 0.000 1.381 151 W N -1.354 119.807 121.300 -0.232 0.000 2.525 151 W HA 0.080 4.741 4.660 0.001 0.000 0.288 151 W C 1.476 177.674 176.519 -0.534 0.000 1.200 151 W CA 0.014 57.214 57.345 -0.242 0.000 1.349 151 W CB -0.440 29.026 29.460 0.011 0.000 1.102 151 W HN -0.121 nan 8.180 nan 0.000 0.558 152 Y N -0.661 119.345 120.300 -0.490 0.000 2.986 152 Y HA 0.694 5.245 4.550 0.000 0.000 0.266 152 Y C 0.999 176.634 175.900 -0.442 0.000 1.419 152 Y CA 0.231 57.937 58.100 -0.656 0.000 1.147 152 Y CB 0.107 37.621 38.460 -1.577 0.000 1.106 152 Y HN -0.241 nan 8.280 nan 0.000 0.678 153 G N -1.225 107.386 108.800 -0.316 0.000 2.322 153 G HA2 0.220 4.181 3.960 0.000 0.000 0.295 153 G HA3 0.220 4.181 3.960 0.000 0.000 0.295 153 G C -2.680 172.171 174.900 -0.080 0.000 1.369 153 G CA -0.689 44.326 45.100 -0.143 0.000 0.821 153 G HN 0.078 nan 8.290 nan 0.000 0.536 154 P HA 0.055 nan 4.420 nan 0.000 0.230 154 P C 1.448 178.719 177.300 -0.049 0.000 1.158 154 P CA 1.495 64.569 63.100 -0.043 0.000 0.769 154 P CB 0.167 31.839 31.700 -0.047 0.000 0.807 155 G N -0.899 107.848 108.800 -0.088 0.000 2.986 155 G HA2 0.284 4.244 3.960 0.000 0.000 0.213 155 G HA3 0.284 4.244 3.960 0.000 0.000 0.213 155 G C 1.080 175.943 174.900 -0.062 0.000 1.156 155 G CA 0.386 45.433 45.100 -0.089 0.000 0.763 155 G HN 0.394 nan 8.290 nan 0.000 0.547 156 G N -0.965 107.771 108.800 -0.107 0.000 2.147 156 G HA2 0.163 4.124 3.960 0.000 0.000 0.244 156 G HA3 0.163 4.124 3.960 0.000 0.000 0.244 156 G C 0.311 175.203 174.900 -0.012 0.000 1.005 156 G CA 0.258 45.220 45.100 -0.229 0.000 0.713 156 G HN 1.337 nan 8.290 nan 0.000 0.515 157 A N -0.581 122.225 122.820 -0.024 0.000 2.325 157 A HA 0.850 5.170 4.320 0.000 0.000 0.333 157 A C 0.163 177.799 177.584 0.087 0.000 1.155 157 A CA -0.509 51.560 52.037 0.053 0.000 0.814 157 A CB 1.343 20.262 19.000 -0.135 0.000 1.206 157 A HN 1.543 nan 8.150 nan 0.000 0.482 158 L N 1.872 123.102 121.223 0.012 0.000 2.410 158 L HA 0.296 4.636 4.340 0.000 0.000 0.273 158 L C 0.452 177.242 176.870 -0.133 0.000 1.152 158 L CA 0.715 55.284 54.840 -0.451 0.000 0.855 158 L CB 0.996 42.826 42.059 -0.383 0.000 1.129 158 L HN 0.490 nan 8.230 nan 0.000 0.463 159 S N 4.472 120.047 115.700 -0.209 0.000 3.919 159 S HA 0.041 4.511 4.470 0.000 0.000 0.245 159 S C 1.225 175.778 174.600 -0.078 0.000 1.344 159 S CA 0.008 58.144 58.200 -0.106 0.000 0.896 159 S CB 0.262 63.384 63.200 -0.131 0.000 1.557 159 S HN 0.673 nan 8.310 nan 0.000 0.468 160 V N 3.161 123.029 119.914 -0.077 0.000 2.358 160 V HA -0.217 3.903 4.120 0.000 0.000 0.246 160 V C 2.336 178.408 176.094 -0.038 0.000 1.047 160 V CA 2.468 64.736 62.300 -0.052 0.000 1.035 160 V CB -0.282 31.532 31.823 -0.015 0.000 0.658 160 V HN 0.828 nan 8.190 nan 0.000 0.452 161 E N 1.325 121.474 120.200 -0.085 0.000 2.110 161 E HA -0.102 4.248 4.350 0.000 0.000 0.193 161 E C 2.025 178.703 176.600 0.131 0.000 0.988 161 E CA 1.848 58.235 56.400 -0.022 0.000 0.804 161 E CB -0.971 28.694 29.700 -0.059 0.000 0.745 161 E HN 0.557 nan 8.360 nan 0.000 0.458 162 A N 1.031 123.950 122.820 0.165 0.000 1.877 162 A HA -0.073 4.247 4.320 0.000 0.000 0.216 162 A C 2.238 180.101 177.584 0.465 0.000 1.186 162 A CA 1.492 53.742 52.037 0.355 0.000 0.620 162 A CB -0.841 18.273 19.000 0.189 0.000 0.822 162 A HN 0.327 nan 8.150 nan 0.000 0.443 163 L N -0.143 121.309 121.223 0.383 0.000 1.994 163 L HA -0.111 4.229 4.340 0.000 0.000 0.208 163 L C 2.311 179.274 176.870 0.154 0.000 1.071 163 L CA 1.797 56.808 54.840 0.284 0.000 0.745 163 L CB -0.458 41.633 42.059 0.053 0.000 0.892 163 L HN 0.408 nan 8.230 nan 0.000 0.431 164 L N -1.073 120.184 121.223 0.057 0.000 2.072 164 L HA -0.045 4.295 4.340 0.000 0.000 0.205 164 L C 2.539 179.353 176.870 -0.092 0.000 1.079 164 L CA 1.070 55.907 54.840 -0.006 0.000 0.752 164 L CB -1.455 40.595 42.059 -0.014 0.000 0.906 164 L HN 0.452 nan 8.230 nan 0.000 0.436 165 G N -0.538 108.149 108.800 -0.188 0.000 2.421 165 G HA2 -0.319 3.641 3.960 0.000 0.000 0.216 165 G HA3 -0.319 3.641 3.960 0.000 0.000 0.216 165 G C 1.286 175.578 174.900 -1.014 0.000 1.171 165 G CA 0.551 45.288 45.100 -0.604 0.000 0.775 165 G HN 0.437 nan 8.290 nan 0.000 0.543 166 W N 1.803 122.505 121.300 -0.996 0.000 2.381 166 W HA -0.028 4.632 4.660 0.000 0.000 0.301 166 W C 2.882 179.352 176.519 -0.082 0.000 1.205 166 W CA 1.651 58.751 57.345 -0.408 0.000 1.285 166 W CB -0.240 29.407 29.460 0.311 0.000 1.133 166 W HN 0.194 nan 8.180 nan 0.000 0.521 167 S N 0.372 116.096 115.700 0.040 0.000 2.383 167 S HA -0.214 4.257 4.470 0.000 0.000 0.229 167 S C 1.990 176.478 174.600 -0.187 0.000 1.030 167 S CA 1.553 59.716 58.200 -0.062 0.000 1.002 167 S CB -0.980 62.274 63.200 0.091 0.000 0.829 167 S HN 0.377 nan 8.310 nan 0.000 0.467 168 A N 1.637 124.347 122.820 -0.182 0.000 1.930 168 A HA -0.104 4.216 4.320 0.000 0.000 0.217 168 A C 2.032 179.494 177.584 -0.203 0.000 1.175 168 A CA 1.656 53.588 52.037 -0.175 0.000 0.627 168 A CB -0.454 18.455 19.000 -0.151 0.000 0.815 168 A HN 0.476 nan 8.150 nan 0.000 0.443 169 K N -0.312 119.942 120.400 -0.243 0.000 2.025 169 K HA -0.100 4.220 4.320 0.000 0.000 0.207 169 K C 1.773 178.238 176.600 -0.224 0.000 1.049 169 K CA 1.463 57.650 56.287 -0.168 0.000 0.933 169 K CB -0.245 32.220 32.500 -0.057 0.000 0.714 169 K HN 0.338 nan 8.250 nan 0.000 0.438 170 I N 1.556 121.853 120.570 -0.455 0.000 2.286 170 I HA -0.162 4.008 4.170 0.000 0.000 0.248 170 I C 2.526 178.454 176.117 -0.314 0.000 1.115 170 I CA 1.582 62.581 61.300 -0.501 0.000 1.392 170 I CB -1.687 35.792 38.000 -0.869 0.000 1.065 170 I HN 0.408 nan 8.210 nan 0.000 0.418 171 G N 0.429 109.083 108.800 -0.244 0.000 2.469 171 G HA2 -0.271 3.690 3.960 0.000 0.000 0.219 171 G HA3 -0.271 3.690 3.960 0.000 0.000 0.219 171 G C 1.667 176.502 174.900 -0.108 0.000 1.150 171 G CA 1.546 46.555 45.100 -0.151 0.000 0.763 171 G HN 0.341 nan 8.290 nan 0.000 0.561 172 T N 0.805 115.302 114.554 -0.096 0.000 2.857 172 T HA 0.024 4.374 4.350 0.000 0.000 0.266 172 T C 2.501 177.243 174.700 0.071 0.000 1.048 172 T CA 1.239 63.337 62.100 -0.004 0.000 1.139 172 T CB -0.464 68.359 68.868 -0.074 0.000 0.874 172 T HN 0.360 nan 8.240 nan 0.000 0.455 173 G N 1.398 110.207 108.800 0.015 0.000 2.450 173 G HA2 -0.134 3.827 3.960 0.000 0.000 0.220 173 G HA3 -0.134 3.827 3.960 0.000 0.000 0.220 173 G C 1.466 176.260 174.900 -0.175 0.000 1.130 173 G CA 0.449 45.571 45.100 0.037 0.000 0.760 173 G HN 0.435 nan 8.290 nan 0.000 0.557 174 L N -0.240 120.858 121.223 -0.207 0.000 2.093 174 L HA 0.015 4.356 4.340 0.000 0.000 0.208 174 L C 2.786 179.573 176.870 -0.140 0.000 1.085 174 L CA 0.623 55.318 54.840 -0.241 0.000 0.755 174 L CB -0.262 41.684 42.059 -0.188 0.000 0.904 174 L HN 0.209 nan 8.230 nan 0.000 0.435 175 I N -0.462 120.084 120.570 -0.039 0.000 2.162 175 I HA -0.244 3.927 4.170 0.000 0.000 0.238 175 I C 2.651 178.769 176.117 0.001 0.000 1.076 175 I CA 1.763 63.070 61.300 0.013 0.000 1.353 175 I CB -0.532 37.541 38.000 0.121 0.000 1.063 175 I HN 0.346 nan 8.210 nan 0.000 0.408 176 T N -1.802 112.781 114.554 0.048 0.000 2.977 176 T HA -0.137 4.213 4.350 0.000 0.000 0.271 176 T C 1.776 176.496 174.700 0.033 0.000 1.105 176 T CA 1.352 63.475 62.100 0.037 0.000 1.116 176 T CB -0.551 68.386 68.868 0.116 0.000 0.878 176 T HN 0.459 nan 8.240 nan 0.000 0.509 177 S N 0.353 116.029 115.700 -0.040 0.000 2.486 177 S HA 0.188 4.658 4.470 0.000 0.000 0.220 177 S C 1.026 175.570 174.600 -0.093 0.000 1.011 177 S CA -0.716 57.427 58.200 -0.095 0.000 0.921 177 S CB -0.419 62.465 63.200 -0.526 0.000 0.785 177 S HN 0.431 nan 8.310 nan 0.000 0.517 178 R N 2.521 122.965 120.500 -0.092 0.000 2.523 178 R HA 0.044 4.384 4.340 0.000 0.000 0.281 178 R C 1.599 177.877 176.300 -0.038 0.000 0.969 178 R CA 0.556 56.613 56.100 -0.070 0.000 1.093 178 R CB 0.338 30.605 30.300 -0.056 0.000 0.917 178 R HN 0.656 nan 8.270 nan 0.000 0.408 179 S N 2.085 117.765 115.700 -0.032 0.000 2.338 179 S HA -0.093 4.377 4.470 0.000 0.000 0.218 179 S C 0.450 175.041 174.600 -0.015 0.000 1.032 179 S CA 0.764 58.956 58.200 -0.013 0.000 0.999 179 S CB 0.199 63.393 63.200 -0.011 0.000 0.905 179 S HN 0.547 nan 8.310 nan 0.000 0.439 180 D N 2.160 122.549 120.400 -0.020 0.000 2.303 180 D HA 0.612 5.252 4.640 0.000 0.000 0.236 180 D C -0.648 175.639 176.300 -0.022 0.000 1.068 180 D CA -0.097 53.893 54.000 -0.018 0.000 0.830 180 D CB 1.705 42.495 40.800 -0.015 0.000 1.109 180 D HN 0.480 nan 8.370 nan 0.000 0.496 181 A N 3.669 126.476 122.820 -0.021 0.000 2.409 181 A HA 0.226 4.547 4.320 0.000 0.000 0.267 181 A C 0.629 178.202 177.584 -0.018 0.000 1.127 181 A CA -0.288 51.735 52.037 -0.023 0.000 0.795 181 A CB 0.348 19.332 19.000 -0.027 0.000 1.061 181 A HN 0.458 nan 8.150 nan 0.000 0.502 182 R N 2.889 123.379 120.500 -0.016 0.000 2.582 182 R HA 0.203 4.544 4.340 0.000 0.000 0.271 182 R C -1.716 174.580 176.300 -0.007 0.000 1.078 182 R CA -1.432 54.661 56.100 -0.011 0.000 1.127 182 R CB 0.272 30.566 30.300 -0.010 0.000 1.038 182 R HN 0.463 nan 8.270 nan 0.000 0.500 183 P HA -0.215 nan 4.420 nan 0.000 0.218 183 P C 0.731 178.033 177.300 0.003 0.000 1.148 183 P CA 1.237 64.336 63.100 -0.002 0.000 0.822 183 P CB 0.166 31.865 31.700 -0.002 0.000 0.784 184 E N -0.769 119.434 120.200 0.005 0.000 2.435 184 E HA -0.120 4.230 4.350 0.000 0.000 0.195 184 E C 0.865 177.478 176.600 0.022 0.000 1.029 184 E CA 0.689 57.097 56.400 0.012 0.000 0.865 184 E CB -0.858 28.848 29.700 0.010 0.000 0.833 184 E HN 0.188 nan 8.360 nan 0.000 0.510 185 D N 2.355 122.766 120.400 0.018 0.000 2.116 185 D HA -0.144 4.496 4.640 0.000 0.000 0.193 185 D C 1.966 178.302 176.300 0.061 0.000 0.998 185 D CA 2.196 56.215 54.000 0.032 0.000 0.836 185 D CB -0.337 40.468 40.800 0.008 0.000 0.951 185 D HN 0.357 nan 8.370 nan 0.000 0.449 186 A N 0.970 123.811 122.820 0.035 0.000 1.883 186 A HA -0.098 4.222 4.320 0.000 0.000 0.217 186 A C 2.327 179.968 177.584 0.096 0.000 1.186 186 A CA 2.610 54.674 52.037 0.044 0.000 0.624 186 A CB -0.840 18.166 19.000 0.011 0.000 0.822 186 A HN 0.257 nan 8.150 nan 0.000 0.444 187 A N -0.289 122.571 122.820 0.067 0.000 1.930 187 A HA -0.145 4.175 4.320 0.000 0.000 0.217 187 A C 1.767 179.395 177.584 0.073 0.000 1.175 187 A CA 1.853 53.928 52.037 0.064 0.000 0.627 187 A CB -0.582 18.441 19.000 0.038 0.000 0.815 187 A HN 0.451 nan 8.150 nan 0.000 0.443 188 D N -1.063 119.381 120.400 0.074 0.000 2.117 188 D HA -0.137 4.504 4.640 0.000 0.000 0.197 188 D C 1.573 177.926 176.300 0.087 0.000 0.987 188 D CA 1.131 55.168 54.000 0.062 0.000 0.829 188 D CB -0.415 40.415 40.800 0.050 0.000 0.961 188 D HN 0.483 nan 8.370 nan 0.000 0.460 189 F N 1.042 120.986 119.950 -0.010 0.000 2.134 189 F HA -0.202 4.326 4.527 0.000 0.000 0.299 189 F C 2.226 178.026 175.800 0.000 0.000 1.097 189 F CA 0.925 58.921 58.000 -0.007 0.000 1.264 189 F CB -0.121 38.877 39.000 -0.004 0.000 1.001 189 F HN -0.215 nan 8.300 nan 0.000 0.479 190 V N 0.380 120.412 119.914 0.196 0.000 2.332 190 V HA -0.360 3.760 4.120 0.000 0.000 0.248 190 V C 2.244 178.334 176.094 -0.008 0.000 1.055 190 V CA 2.363 64.721 62.300 0.097 0.000 1.038 190 V CB -0.814 31.072 31.823 0.105 0.000 0.651 190 V HN 0.417 nan 8.190 nan 0.000 0.450 191 Q N -0.675 119.121 119.800 -0.008 0.000 2.119 191 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 191 Q C 2.289 178.247 176.000 -0.071 0.000 0.972 191 Q CA 1.366 57.153 55.803 -0.027 0.000 0.847 191 Q CB -0.202 28.530 28.738 -0.010 0.000 0.903 191 Q HN 0.554 nan 8.270 nan 0.000 0.433 192 L N 0.070 121.216 121.223 -0.127 0.000 2.056 192 L HA -0.153 4.187 4.340 0.000 0.000 0.207 192 L C 2.500 179.242 176.870 -0.212 0.000 1.078 192 L CA 0.918 55.649 54.840 -0.182 0.000 0.749 192 L CB -0.556 41.354 42.059 -0.249 0.000 0.901 192 L HN 0.200 nan 8.230 nan 0.000 0.433 193 A N 0.064 122.715 122.820 -0.283 0.000 1.933 193 A HA -0.166 4.154 4.320 0.000 0.000 0.218 193 A C 2.526 180.057 177.584 -0.088 0.000 1.175 193 A CA 1.683 53.593 52.037 -0.211 0.000 0.628 193 A CB -0.656 18.222 19.000 -0.204 0.000 0.814 193 A HN 0.399 nan 8.150 nan 0.000 0.444 194 A N -0.132 122.651 122.820 -0.063 0.000 1.933 194 A HA -0.053 4.267 4.320 0.000 0.000 0.218 194 A C 2.101 179.677 177.584 -0.015 0.000 1.175 194 A CA 1.455 53.478 52.037 -0.023 0.000 0.628 194 A CB -0.542 18.452 19.000 -0.011 0.000 0.814 194 A HN 0.506 nan 8.150 nan 0.000 0.444 195 I N -0.541 120.010 120.570 -0.032 0.000 2.202 195 I HA -0.239 3.931 4.170 0.000 0.000 0.242 195 I C 2.277 178.392 176.117 -0.002 0.000 1.091 195 I CA 1.152 62.440 61.300 -0.021 0.000 1.368 195 I CB -0.312 37.663 38.000 -0.042 0.000 1.058 195 I HN 0.261 nan 8.210 nan 0.000 0.410 196 L N 0.466 121.679 121.223 -0.017 0.000 2.201 196 L HA -0.172 4.169 4.340 0.000 0.000 0.212 196 L C 1.928 178.832 176.870 0.056 0.000 1.105 196 L CA 0.916 55.774 54.840 0.030 0.000 0.775 196 L CB -0.588 41.478 42.059 0.011 0.000 0.913 196 L HN 0.308 nan 8.230 nan 0.000 0.440 197 N N -0.683 118.036 118.700 0.030 0.000 2.494 197 N HA -0.085 4.655 4.740 0.000 0.000 0.182 197 N C 0.091 175.636 175.510 0.058 0.000 1.076 197 N CA 0.808 53.882 53.050 0.039 0.000 0.908 197 N CB 0.134 38.635 38.487 0.023 0.000 0.967 197 N HN 0.204 nan 8.380 nan 0.000 0.449 198 D N -0.473 119.968 120.400 0.067 0.000 2.978 198 D HA 0.119 4.759 4.640 0.000 0.000 0.268 198 D C 0.732 177.078 176.300 0.076 0.000 1.252 198 D CA -0.158 53.892 54.000 0.082 0.000 0.771 198 D CB -0.004 40.829 40.800 0.056 0.000 1.361 198 D HN -0.302 nan 8.370 nan 0.000 0.558 199 V N 0.954 120.941 119.914 0.121 0.000 2.427 199 V HA -0.111 4.009 4.120 0.000 0.000 0.248 199 V C 2.618 178.667 176.094 -0.075 0.000 1.051 199 V CA 1.997 64.332 62.300 0.059 0.000 1.048 199 V CB -0.610 31.294 31.823 0.135 0.000 0.666 199 V HN 0.509 nan 8.190 nan 0.000 0.456 200 A N 0.787 123.497 122.820 -0.183 0.000 1.933 200 A HA -0.081 4.239 4.320 0.000 0.000 0.218 200 A C 2.421 179.980 177.584 -0.041 0.000 1.175 200 A CA 1.919 53.746 52.037 -0.349 0.000 0.628 200 A CB -1.175 17.550 19.000 -0.458 0.000 0.814 200 A HN 0.516 nan 8.150 nan 0.000 0.444 201 G N -0.463 108.350 108.800 0.022 0.000 2.421 201 G HA2 -0.004 3.956 3.960 0.000 0.000 0.216 201 G HA3 -0.004 3.956 3.960 0.000 0.000 0.216 201 G C 1.761 176.696 174.900 0.059 0.000 1.171 201 G CA 1.448 46.584 45.100 0.062 0.000 0.775 201 G HN 0.802 nan 8.290 nan 0.000 0.543 202 A N 1.099 123.939 122.820 0.032 0.000 1.933 202 A HA 0.266 4.587 4.320 0.000 0.000 0.218 202 A C 2.708 180.320 177.584 0.046 0.000 1.175 202 A CA 2.219 54.272 52.037 0.027 0.000 0.628 202 A CB -0.653 18.352 19.000 0.007 0.000 0.814 202 A HN 0.842 nan 8.150 nan 0.000 0.444 203 A N -1.073 121.773 122.820 0.043 0.000 2.167 203 A HA 0.141 4.461 4.320 0.000 0.000 0.214 203 A C 2.121 179.892 177.584 0.311 0.000 1.151 203 A CA 1.411 53.510 52.037 0.104 0.000 0.735 203 A CB -0.407 18.542 19.000 -0.084 0.000 0.802 203 A HN 0.391 nan 8.150 nan 0.000 0.467 204 S N -0.551 115.320 115.700 0.285 0.000 2.528 204 S HA 0.104 4.574 4.470 0.000 0.000 0.219 204 S C 0.629 175.284 174.600 0.091 0.000 0.985 204 S CA -0.057 58.282 58.200 0.231 0.000 0.914 204 S CB -0.104 63.206 63.200 0.184 0.000 0.776 204 S HN 0.277 nan 8.310 nan 0.000 0.526 205 V N 3.735 123.697 119.914 0.080 0.000 2.572 205 V HA 0.235 4.355 4.120 0.000 0.000 0.291 205 V C 0.583 176.698 176.094 0.035 0.000 1.039 205 V CA -0.065 62.261 62.300 0.044 0.000 1.055 205 V CB 0.590 32.435 31.823 0.036 0.000 0.969 205 V HN 0.446 nan 8.190 nan 0.000 0.482 206 T N 3.764 118.328 114.554 0.017 0.000 2.841 206 T HA 0.609 4.959 4.350 0.000 0.000 0.283 206 T C -2.885 171.820 174.700 0.008 0.000 1.000 206 T CA -2.376 59.730 62.100 0.011 0.000 0.977 206 T CB 1.970 70.836 68.868 -0.004 0.000 0.979 206 T HN 0.404 nan 8.240 nan 0.000 0.446 207 P HA 0.160 nan 4.420 nan 0.000 0.271 207 P C 0.853 178.166 177.300 0.022 0.000 1.216 207 P CA -0.716 62.392 63.100 0.014 0.000 0.776 207 P CB 0.534 32.241 31.700 0.011 0.000 0.881 208 L N 3.701 124.943 121.223 0.033 0.000 2.131 208 L HA -0.144 4.197 4.340 0.000 0.000 0.210 208 L C 1.991 178.878 176.870 0.028 0.000 1.092 208 L CA 2.046 56.911 54.840 0.042 0.000 0.759 208 L CB -1.421 40.674 42.059 0.061 0.000 0.903 208 L HN 0.432 nan 8.230 nan 0.000 0.435 209 A N -1.366 121.468 122.820 0.023 0.000 2.168 209 A HA -0.060 4.260 4.320 0.000 0.000 0.215 209 A C 1.057 178.645 177.584 0.006 0.000 1.152 209 A CA 0.306 52.350 52.037 0.012 0.000 0.716 209 A CB -0.590 18.417 19.000 0.012 0.000 0.794 209 A HN 0.551 nan 8.150 nan 0.000 0.465 210 E N 1.428 121.634 120.200 0.009 0.000 1.996 210 E HA 0.205 4.555 4.350 0.000 0.000 0.280 210 E C -0.821 175.783 176.600 0.007 0.000 1.092 210 E CA -0.127 56.277 56.400 0.007 0.000 0.862 210 E CB 0.369 30.073 29.700 0.007 0.000 1.066 210 E HN 0.261 nan 8.360 nan 0.000 0.396 211 Q N 3.321 123.124 119.800 0.004 0.000 2.798 211 Q HA 0.176 4.517 4.340 0.000 0.000 0.250 211 Q C -2.095 173.908 176.000 0.003 0.000 1.006 211 Q CA -1.809 53.996 55.803 0.004 0.000 0.759 211 Q CB 1.309 30.048 28.738 0.001 0.000 1.201 211 Q HN 0.363 nan 8.270 nan 0.000 0.486 212 P HA -0.174 nan 4.420 nan 0.000 0.215 212 P C 1.386 178.688 177.300 0.003 0.000 1.157 212 P CA 0.724 63.826 63.100 0.004 0.000 0.868 212 P CB 0.419 32.121 31.700 0.004 0.000 0.788 213 L N -1.128 120.095 121.223 0.000 0.000 2.007 213 L HA -0.051 4.290 4.340 0.000 0.000 0.205 213 L C 2.287 179.154 176.870 -0.004 0.000 1.073 213 L CA 1.705 56.543 54.840 -0.003 0.000 0.744 213 L CB -1.322 40.732 42.059 -0.009 0.000 0.898 213 L HN -0.182 nan 8.230 nan 0.000 0.435 214 L N -0.453 120.768 121.223 -0.004 0.000 2.093 214 L HA -0.086 4.254 4.340 0.000 0.000 0.208 214 L C 2.503 179.385 176.870 0.020 0.000 1.085 214 L CA 1.153 55.994 54.840 0.002 0.000 0.755 214 L CB -1.385 40.675 42.059 0.002 0.000 0.904 214 L HN 0.496 nan 8.230 nan 0.000 0.435 215 G N -0.233 108.576 108.800 0.015 0.000 2.448 215 G HA2 -0.261 3.700 3.960 0.000 0.000 0.219 215 G HA3 -0.261 3.700 3.960 0.000 0.000 0.219 215 G C 1.765 176.678 174.900 0.022 0.000 1.127 215 G CA 0.624 45.735 45.100 0.020 0.000 0.766 215 G HN 0.296 nan 8.290 nan 0.000 0.552 216 R N -0.225 120.283 120.500 0.014 0.000 2.062 216 R HA 0.195 4.535 4.340 0.000 0.000 0.226 216 R C 2.405 178.712 176.300 0.012 0.000 1.125 216 R CA 0.593 56.700 56.100 0.011 0.000 0.966 216 R CB -0.330 29.973 30.300 0.006 0.000 0.861 216 R HN 0.346 nan 8.270 nan 0.000 0.433 217 L N 0.312 121.540 121.223 0.008 0.000 2.056 217 L HA 0.026 4.366 4.340 0.000 0.000 0.207 217 L C 0.664 177.545 176.870 0.018 0.000 1.078 217 L CA 0.985 55.825 54.840 -0.000 0.000 0.749 217 L CB 0.094 42.142 42.059 -0.019 0.000 0.901 217 L HN 0.201 nan 8.230 nan 0.000 0.433 218 I N -0.988 119.610 120.570 0.047 0.000 2.714 218 I HA 0.172 4.342 4.170 0.000 0.000 0.276 218 I C -1.923 174.279 176.117 0.143 0.000 1.196 218 I CA -1.305 60.057 61.300 0.104 0.000 1.068 218 I CB 1.626 39.708 38.000 0.136 0.000 1.291 218 I HN -0.224 nan 8.210 nan 0.000 0.530 219 P HA -0.223 nan 4.420 nan 0.000 0.217 219 P C 1.613 178.987 177.300 0.123 0.000 1.148 219 P CA 1.379 64.533 63.100 0.090 0.000 0.828 219 P CB 0.098 31.837 31.700 0.064 0.000 0.783 220 W N 0.533 121.806 121.300 -0.044 0.000 2.292 220 W HA -0.282 4.378 4.660 0.000 0.000 0.304 220 W C 1.652 178.139 176.519 -0.052 0.000 1.228 220 W CA 1.396 58.705 57.345 -0.062 0.000 1.241 220 W CB -1.061 28.344 29.460 -0.090 0.000 1.142 220 W HN -0.265 nan 8.180 nan 0.000 0.520 221 V N 1.122 121.065 119.914 0.048 0.000 2.278 221 V HA -0.378 3.742 4.120 0.000 0.000 0.251 221 V C 2.132 178.058 176.094 -0.280 0.000 1.062 221 V CA 2.155 64.328 62.300 -0.212 0.000 1.038 221 V CB -0.880 30.949 31.823 0.009 0.000 0.646 221 V HN 0.246 nan 8.190 nan 0.000 0.447 222 I N -0.553 119.935 120.570 -0.137 0.000 2.556 222 I HA -0.002 4.168 4.170 0.000 0.000 0.251 222 I C 2.200 178.261 176.117 -0.094 0.000 1.105 222 I CA 0.977 62.221 61.300 -0.093 0.000 1.436 222 I CB -1.325 36.653 38.000 -0.038 0.000 1.139 222 I HN 0.278 nan 8.210 nan 0.000 0.438 223 D N 0.671 121.025 120.400 -0.076 0.000 2.117 223 D HA -0.214 4.427 4.640 0.000 0.000 0.197 223 D C 2.104 178.390 176.300 -0.025 0.000 0.987 223 D CA 1.388 55.370 54.000 -0.031 0.000 0.829 223 D CB 0.052 40.854 40.800 0.004 0.000 0.961 223 D HN 0.301 nan 8.370 nan 0.000 0.460 224 Q N 0.190 119.852 119.800 -0.230 0.000 2.141 224 Q HA 0.027 4.368 4.340 0.000 0.000 0.194 224 Q C 1.992 177.825 176.000 -0.279 0.000 0.975 224 Q CA 0.895 56.477 55.803 -0.368 0.000 0.834 224 Q CB -0.299 28.017 28.738 -0.704 0.000 0.916 224 Q HN 0.071 nan 8.270 nan 0.000 0.484 225 V N 0.050 119.663 119.914 -0.503 0.000 2.239 225 V HA -0.137 3.983 4.120 0.000 0.000 0.242 225 V C 2.331 178.545 176.094 0.200 0.000 1.038 225 V CA 1.604 63.842 62.300 -0.103 0.000 1.002 225 V CB -0.812 30.705 31.823 -0.510 0.000 0.641 225 V HN 0.249 nan 8.190 nan 0.000 0.449 226 V N 0.459 120.380 119.914 0.012 0.000 2.407 226 V HA -0.239 3.881 4.120 0.000 0.000 0.248 226 V C 2.133 178.309 176.094 0.136 0.000 1.055 226 V CA 2.133 64.488 62.300 0.092 0.000 1.049 226 V CB -0.733 31.095 31.823 0.008 0.000 0.662 226 V HN 0.540 nan 8.190 nan 0.000 0.455 227 D N -1.457 118.977 120.400 0.056 0.000 2.348 227 D HA -0.042 4.598 4.640 0.000 0.000 0.216 227 D C 0.926 177.127 176.300 -0.165 0.000 0.970 227 D CA 0.801 54.766 54.000 -0.058 0.000 0.889 227 D CB -0.167 40.549 40.800 -0.141 0.000 0.912 227 D HN 0.513 nan 8.370 nan 0.000 0.524 228 H N -0.071 119.098 119.070 0.166 0.000 2.418 228 H HA 0.148 4.704 4.556 0.001 0.000 0.238 228 H C -1.616 173.892 175.328 0.299 0.000 1.403 228 H CA -1.251 54.930 56.048 0.222 0.000 1.419 228 H CB 1.548 31.394 29.762 0.139 0.000 1.463 228 H HN 0.076 nan 8.280 nan 0.000 0.515 229 P HA -0.063 nan 4.420 nan 0.000 0.225 229 P C 0.084 177.339 177.300 -0.074 0.000 1.156 229 P CA 0.512 63.642 63.100 0.051 0.000 0.787 229 P CB 0.640 32.505 31.700 0.275 0.000 0.802 230 D N 0.674 121.133 120.400 0.098 0.000 2.264 230 D HA 0.048 4.688 4.640 0.000 0.000 0.249 230 D C 0.399 176.588 176.300 -0.185 0.000 1.070 230 D CA -0.252 53.751 54.000 0.005 0.000 0.912 230 D CB 0.047 40.929 40.800 0.136 0.000 1.193 230 D HN -0.150 nan 8.370 nan 0.000 0.427 231 N N 1.881 120.197 118.700 -0.639 0.000 3.103 231 N HA -0.020 4.720 4.740 0.000 0.000 0.305 231 N C -0.756 174.625 175.510 -0.215 0.000 1.232 231 N CA -0.274 52.248 53.050 -0.881 0.000 1.190 231 N CB -0.290 37.430 38.487 -1.279 0.000 1.461 231 N HN 0.295 nan 8.380 nan 0.000 0.538 232 D N -0.485 119.961 120.400 0.077 0.000 2.507 232 D HA 0.148 4.788 4.640 0.000 0.000 0.280 232 D C 0.862 177.207 176.300 0.074 0.000 1.219 232 D CA -0.264 53.787 54.000 0.086 0.000 1.085 232 D CB 0.230 41.120 40.800 0.150 0.000 1.134 232 D HN -0.028 nan 8.370 nan 0.000 0.583 233 E N -0.694 119.528 120.200 0.035 0.000 2.153 233 E HA -0.129 4.222 4.350 0.000 0.000 0.194 233 E C 2.035 178.607 176.600 -0.046 0.000 0.988 233 E CA 1.715 58.118 56.400 0.005 0.000 0.811 233 E CB -0.447 29.255 29.700 0.003 0.000 0.746 233 E HN 0.506 nan 8.360 nan 0.000 0.466 234 S N -0.651 114.951 115.700 -0.164 0.000 2.382 234 S HA -0.194 4.277 4.470 0.000 0.000 0.228 234 S C 1.878 176.293 174.600 -0.309 0.000 1.027 234 S CA 0.894 58.875 58.200 -0.365 0.000 0.991 234 S CB -0.742 61.955 63.200 -0.839 0.000 0.823 234 S HN 0.439 nan 8.310 nan 0.000 0.469 235 W N 1.811 123.072 121.300 -0.064 0.000 2.443 235 W HA 0.138 4.798 4.660 0.000 0.000 0.296 235 W C 2.991 179.514 176.519 0.006 0.000 1.202 235 W CA 0.229 57.583 57.345 0.015 0.000 1.312 235 W CB -0.202 29.270 29.460 0.019 0.000 1.120 235 W HN 0.230 nan 8.180 nan 0.000 0.536 236 Q N 0.248 120.161 119.800 0.188 0.000 2.135 236 Q HA -0.166 4.175 4.340 0.000 0.000 0.204 236 Q C 2.026 178.078 176.000 0.087 0.000 0.981 236 Q CA 1.787 57.654 55.803 0.107 0.000 0.856 236 Q CB -1.097 27.673 28.738 0.055 0.000 0.902 236 Q HN 0.246 nan 8.270 nan 0.000 0.425 237 S N 1.382 117.117 115.700 0.058 0.000 2.374 237 S HA -0.148 4.322 4.470 0.000 0.000 0.227 237 S C 2.040 176.681 174.600 0.068 0.000 1.037 237 S CA 1.591 59.816 58.200 0.041 0.000 1.024 237 S CB -0.318 62.884 63.200 0.003 0.000 0.861 237 S HN 0.610 nan 8.310 nan 0.000 0.456 238 I N -1.090 119.542 120.570 0.103 0.000 3.728 238 I HA 0.253 4.423 4.170 0.000 0.000 0.307 238 I C 0.830 177.026 176.117 0.132 0.000 1.276 238 I CA -0.206 61.169 61.300 0.126 0.000 1.285 238 I CB -0.049 38.051 38.000 0.166 0.000 1.038 238 I HN 0.022 nan 8.210 nan 0.000 0.445 239 S N 1.498 117.285 115.700 0.145 0.000 2.549 239 S HA 0.269 4.739 4.470 0.000 0.000 0.279 239 S C 0.837 175.497 174.600 0.100 0.000 1.321 239 S CA -0.488 57.789 58.200 0.129 0.000 1.054 239 S CB 0.781 64.060 63.200 0.131 0.000 0.899 239 S HN 0.339 nan 8.310 nan 0.000 0.497 240 L N 5.096 126.374 121.223 0.091 0.000 2.638 240 L HA 0.230 4.570 4.340 0.000 0.000 0.232 240 L C 1.572 178.453 176.870 0.017 0.000 1.099 240 L CA 0.527 55.404 54.840 0.060 0.000 0.883 240 L CB -1.829 40.277 42.059 0.077 0.000 1.136 240 L HN 0.750 nan 8.230 nan 0.000 0.492 241 F N 2.138 122.029 119.950 -0.100 0.000 2.095 241 F HA -0.200 4.328 4.527 0.001 0.000 0.298 241 F C 2.391 178.132 175.800 -0.099 0.000 1.104 241 F CA 1.675 59.587 58.000 -0.147 0.000 1.232 241 F CB 0.288 39.211 39.000 -0.129 0.000 0.987 241 F HN 0.082 nan 8.300 nan 0.000 0.475 242 E N 0.090 120.315 120.200 0.041 0.000 2.268 242 E HA -0.129 4.221 4.350 0.000 0.000 0.195 242 E C 2.206 178.746 176.600 -0.100 0.000 0.995 242 E CA 0.709 57.094 56.400 -0.024 0.000 0.836 242 E CB -0.325 29.407 29.700 0.054 0.000 0.763 242 E HN 0.508 nan 8.360 nan 0.000 0.491 243 R N 0.111 120.558 120.500 -0.089 0.000 2.240 243 R HA 0.131 4.471 4.340 0.000 0.000 0.203 243 R C 2.350 178.581 176.300 -0.116 0.000 1.011 243 R CA 0.093 56.150 56.100 -0.072 0.000 1.007 243 R CB -0.002 30.287 30.300 -0.018 0.000 0.911 243 R HN 0.139 nan 8.270 nan 0.000 0.468 244 L N -0.626 120.453 121.223 -0.241 0.000 2.083 244 L HA -0.079 4.262 4.340 0.000 0.000 0.209 244 L C 2.421 179.164 176.870 -0.211 0.000 1.083 244 L CA 1.407 56.088 54.840 -0.265 0.000 0.752 244 L CB -0.800 40.932 42.059 -0.545 0.000 0.899 244 L HN 0.338 nan 8.230 nan 0.000 0.433 245 G N -0.111 108.543 108.800 -0.244 0.000 2.450 245 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 245 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 245 G C 1.477 176.323 174.900 -0.090 0.000 1.130 245 G CA 0.764 45.767 45.100 -0.162 0.000 0.760 245 G HN 0.508 nan 8.290 nan 0.000 0.557 246 G N -0.235 108.521 108.800 -0.072 0.000 2.880 246 G HA2 0.329 4.289 3.960 0.000 0.000 0.209 246 G HA3 0.329 4.289 3.960 0.000 0.000 0.209 246 G C 0.688 175.575 174.900 -0.023 0.000 1.157 246 G CA -0.412 44.664 45.100 -0.039 0.000 0.779 246 G HN 0.363 nan 8.290 nan 0.000 0.539 247 L N 0.180 121.391 121.223 -0.020 0.000 2.466 247 L HA 0.547 4.887 4.340 0.000 0.000 0.257 247 L C 0.643 177.514 176.870 0.001 0.000 1.189 247 L CA -0.512 54.332 54.840 0.008 0.000 0.813 247 L CB 1.467 43.554 42.059 0.047 0.000 1.118 247 L HN 0.039 nan 8.230 nan 0.000 0.471 248 A N 0.767 123.591 122.820 0.005 0.000 3.176 248 A HA 0.415 4.735 4.320 0.000 0.000 0.265 248 A C -0.217 177.360 177.584 -0.012 0.000 0.936 248 A CA -0.308 51.727 52.037 -0.005 0.000 1.033 248 A CB 0.170 19.165 19.000 -0.008 0.000 1.158 248 A HN 0.610 nan 8.150 nan 0.000 0.485 249 T N 2.951 117.507 114.554 0.005 0.000 2.756 249 T HA 0.486 4.836 4.350 0.000 0.000 0.290 249 T C -2.807 171.880 174.700 -0.022 0.000 0.985 249 T CA -1.095 60.997 62.100 -0.014 0.000 0.955 249 T CB 1.259 70.138 68.868 0.019 0.000 0.930 249 T HN 0.199 nan 8.240 nan 0.000 0.451 250 P HA 0.330 nan 4.420 nan 0.000 0.264 250 P C -1.231 176.174 177.300 0.175 0.000 1.183 250 P CA -0.152 62.883 63.100 -0.109 0.000 0.763 250 P CB 0.393 31.623 31.700 -0.784 0.000 0.807 251 A N 3.883 126.856 122.820 0.255 0.000 2.381 251 A HA 0.517 4.838 4.320 0.000 0.000 0.299 251 A C -1.121 176.405 177.584 -0.097 0.000 1.049 251 A CA -0.722 51.380 52.037 0.109 0.000 0.715 251 A CB 0.854 19.906 19.000 0.086 0.000 1.222 251 A HN 0.593 nan 8.150 nan 0.000 0.428 252 L N 4.288 125.197 121.223 -0.523 0.000 2.259 252 L HA 0.571 4.911 4.340 0.000 0.000 0.288 252 L C -1.261 175.423 176.870 -0.310 0.000 1.051 252 L CA -0.520 53.872 54.840 -0.746 0.000 0.824 252 L CB 0.097 41.258 42.059 -1.497 0.000 1.206 252 L HN 0.654 nan 8.230 nan 0.000 0.429 253 I N 4.060 124.570 120.570 -0.100 0.000 2.354 253 I HA 0.319 4.489 4.170 0.000 0.000 0.292 253 I C -0.020 176.090 176.117 -0.011 0.000 0.989 253 I CA -0.174 61.144 61.300 0.030 0.000 1.188 253 I CB 1.899 40.021 38.000 0.203 0.000 1.342 253 I HN 0.468 nan 8.210 nan 0.000 0.457 254 T N 5.237 119.813 114.554 0.036 0.000 2.855 254 T HA 0.817 5.168 4.350 0.000 0.000 0.281 254 T C -0.324 174.410 174.700 0.057 0.000 1.007 254 T CA -0.571 61.575 62.100 0.077 0.000 1.009 254 T CB 1.894 70.881 68.868 0.199 0.000 0.983 254 T HN 0.700 nan 8.240 nan 0.000 0.455 255 A N 1.417 124.238 122.820 0.001 0.000 2.569 255 A HA 0.990 5.310 4.320 0.000 0.000 0.290 255 A C -0.402 177.124 177.584 -0.098 0.000 1.136 255 A CA -0.802 51.193 52.037 -0.070 0.000 0.710 255 A CB 1.702 20.552 19.000 -0.251 0.000 1.303 255 A HN 1.067 nan 8.150 nan 0.000 0.413 256 G N -1.703 107.034 108.800 -0.105 0.000 2.591 256 G HA2 0.474 4.434 3.960 0.000 0.000 0.306 256 G HA3 0.474 4.434 3.960 0.000 0.000 0.306 256 G C -0.197 174.550 174.900 -0.254 0.000 1.334 256 G CA -0.527 44.463 45.100 -0.184 0.000 0.981 256 G HN 0.784 nan 8.290 nan 0.000 0.491 257 W N 0.356 121.504 121.300 -0.254 0.000 2.421 257 W HA -0.022 4.638 4.660 0.000 0.000 0.270 257 W C 0.832 177.046 176.519 -0.509 0.000 1.233 257 W CA 0.182 57.278 57.345 -0.414 0.000 1.226 257 W CB 0.084 29.185 29.460 -0.597 0.000 1.121 257 W HN 0.584 nan 8.180 nan 0.000 0.579 258 Y N -0.567 119.838 120.300 0.175 0.000 2.636 258 Y HA 0.189 4.739 4.550 0.000 0.000 0.260 258 Y C -0.025 175.952 175.900 0.127 0.000 1.177 258 Y CA -0.749 57.439 58.100 0.146 0.000 1.209 258 Y CB -0.310 38.236 38.460 0.142 0.000 1.166 258 Y HN -0.287 nan 8.280 nan 0.000 0.531 259 D N -0.676 119.852 120.400 0.213 0.000 2.256 259 D HA 0.268 4.908 4.640 0.000 0.000 0.250 259 D C 1.600 177.978 176.300 0.129 0.000 1.093 259 D CA 0.257 54.395 54.000 0.231 0.000 0.882 259 D CB 1.508 42.477 40.800 0.282 0.000 1.185 259 D HN 0.317 nan 8.370 nan 0.000 0.437 260 G N 2.138 110.956 108.800 0.029 0.000 2.475 260 G HA2 -0.264 3.697 3.960 0.000 0.000 0.220 260 G HA3 -0.264 3.697 3.960 0.000 0.000 0.220 260 G C 1.025 175.758 174.900 -0.277 0.000 1.125 260 G CA 0.496 45.473 45.100 -0.206 0.000 0.755 260 G HN 0.564 nan 8.290 nan 0.000 0.565 261 F N -0.372 119.537 119.950 -0.069 0.000 2.797 261 F HA 0.231 4.758 4.527 0.001 0.000 0.302 261 F C 2.259 178.044 175.800 -0.024 0.000 1.130 261 F CA -0.232 57.733 58.000 -0.059 0.000 1.387 261 F CB 0.232 39.218 39.000 -0.023 0.000 1.107 261 F HN 0.020 nan 8.300 nan 0.000 0.577 262 V N 0.506 120.497 119.914 0.129 0.000 2.282 262 V HA -0.271 3.849 4.120 0.000 0.000 0.249 262 V C 2.403 178.531 176.094 0.057 0.000 1.057 262 V CA 2.615 64.953 62.300 0.063 0.000 1.032 262 V CB -0.884 30.965 31.823 0.044 0.000 0.645 262 V HN 0.418 nan 8.190 nan 0.000 0.447 263 G N -1.122 107.717 108.800 0.066 0.000 2.421 263 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 263 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 263 G C 1.478 176.411 174.900 0.055 0.000 1.171 263 G CA 0.817 45.960 45.100 0.071 0.000 0.775 263 G HN 0.540 nan 8.290 nan 0.000 0.543 264 E N 0.909 121.134 120.200 0.042 0.000 2.152 264 E HA -0.010 4.340 4.350 0.000 0.000 0.192 264 E C 2.931 179.586 176.600 0.092 0.000 0.983 264 E CA 0.682 57.101 56.400 0.032 0.000 0.818 264 E CB -0.322 29.395 29.700 0.030 0.000 0.758 264 E HN 0.327 nan 8.360 nan 0.000 0.467 265 S N 1.219 116.994 115.700 0.125 0.000 2.356 265 S HA -0.098 4.372 4.470 0.000 0.000 0.223 265 S C 2.151 176.813 174.600 0.104 0.000 1.032 265 S CA 0.854 59.130 58.200 0.127 0.000 1.005 265 S CB -0.258 62.991 63.200 0.083 0.000 0.867 265 S HN 0.184 nan 8.310 nan 0.000 0.449 266 L N 0.782 122.026 121.223 0.036 0.000 2.083 266 L HA -0.068 4.272 4.340 0.000 0.000 0.209 266 L C 2.639 179.658 176.870 0.248 0.000 1.083 266 L CA 1.183 56.035 54.840 0.020 0.000 0.752 266 L CB -0.398 41.627 42.059 -0.057 0.000 0.899 266 L HN 0.194 nan 8.230 nan 0.000 0.433 267 R N -0.447 120.187 120.500 0.223 0.000 2.148 267 R HA -0.126 4.215 4.340 0.000 0.000 0.227 267 R C 2.419 178.946 176.300 0.378 0.000 1.103 267 R CA 1.709 57.978 56.100 0.282 0.000 0.983 267 R CB -0.444 29.914 30.300 0.097 0.000 0.874 267 R HN 0.542 nan 8.270 nan 0.000 0.451 268 T N -1.584 113.119 114.554 0.249 0.000 2.857 268 T HA -0.142 4.208 4.350 0.000 0.000 0.266 268 T C 1.657 176.447 174.700 0.149 0.000 1.048 268 T CA 0.762 62.891 62.100 0.048 0.000 1.139 268 T CB -0.360 68.400 68.868 -0.180 0.000 0.874 268 T HN 0.203 nan 8.240 nan 0.000 0.455 269 F N 2.320 122.353 119.950 0.140 0.000 2.102 269 F HA -0.008 4.519 4.527 0.000 0.000 0.298 269 F C 2.238 178.136 175.800 0.164 0.000 1.105 269 F CA 1.051 59.143 58.000 0.155 0.000 1.239 269 F CB -0.480 38.592 39.000 0.121 0.000 0.991 269 F HN -0.001 nan 8.300 nan 0.000 0.474 270 V N 0.534 120.633 119.914 0.307 0.000 2.490 270 V HA -0.285 3.835 4.120 0.000 0.000 0.250 270 V C 2.673 178.780 176.094 0.022 0.000 1.061 270 V CA 1.683 64.101 62.300 0.197 0.000 1.064 270 V CB -1.546 30.476 31.823 0.332 0.000 0.670 270 V HN 0.501 nan 8.190 nan 0.000 0.461 271 A N 0.216 123.031 122.820 -0.008 0.000 2.014 271 A HA -0.049 4.271 4.320 0.000 0.000 0.218 271 A C 2.191 179.669 177.584 -0.177 0.000 1.163 271 A CA 1.832 53.768 52.037 -0.169 0.000 0.652 271 A CB -0.291 18.420 19.000 -0.480 0.000 0.808 271 A HN 0.690 nan 8.150 nan 0.000 0.449 272 V N -2.151 117.675 119.914 -0.147 0.000 3.661 272 V HA 0.071 4.191 4.120 0.000 0.000 0.271 272 V C 1.787 177.792 176.094 -0.148 0.000 1.315 272 V CA 0.988 63.228 62.300 -0.100 0.000 1.072 272 V CB -0.447 31.400 31.823 0.040 0.000 0.830 272 V HN 0.632 nan 8.190 nan 0.000 0.443 273 K N 0.567 120.796 120.400 -0.284 0.000 2.209 273 K HA -0.142 4.178 4.320 0.000 0.000 0.204 273 K C 1.337 177.848 176.600 -0.148 0.000 1.048 273 K CA 1.952 58.034 56.287 -0.343 0.000 0.940 273 K CB -0.439 31.692 32.500 -0.615 0.000 0.729 273 K HN 0.400 nan 8.250 nan 0.000 0.451 274 D N 0.777 121.116 120.400 -0.101 0.000 2.234 274 D HA -0.050 4.590 4.640 0.000 0.000 0.205 274 D C 1.027 177.307 176.300 -0.034 0.000 0.962 274 D CA 0.747 54.717 54.000 -0.049 0.000 0.855 274 D CB 0.012 40.791 40.800 -0.035 0.000 0.951 274 D HN 0.286 nan 8.370 nan 0.000 0.500 275 N N -0.368 118.308 118.700 -0.041 0.000 2.282 275 N HA 0.238 4.978 4.740 0.000 0.000 0.185 275 N C 0.043 175.543 175.510 -0.018 0.000 1.099 275 N CA 0.126 53.161 53.050 -0.025 0.000 0.878 275 N CB 1.366 39.837 38.487 -0.028 0.000 0.993 275 N HN 0.041 nan 8.380 nan 0.000 0.481 276 A N -0.413 122.394 122.820 -0.022 0.000 2.588 276 A HA 0.368 4.689 4.320 0.000 0.000 0.290 276 A C -1.636 175.950 177.584 0.004 0.000 1.136 276 A CA -0.683 51.344 52.037 -0.015 0.000 0.681 276 A CB 0.640 19.620 19.000 -0.033 0.000 1.282 276 A HN -0.008 nan 8.150 nan 0.000 0.421 277 D N 1.020 121.436 120.400 0.028 0.000 2.367 277 D HA 0.469 5.109 4.640 0.000 0.000 0.255 277 D C 0.278 176.682 176.300 0.173 0.000 1.300 277 D CA 0.905 54.980 54.000 0.125 0.000 0.959 277 D CB 0.202 41.149 40.800 0.246 0.000 1.064 277 D HN 0.796 nan 8.370 nan 0.000 0.509 278 A N 4.757 127.645 122.820 0.114 0.000 2.303 278 A HA 0.781 5.101 4.320 0.000 0.000 0.317 278 A C 0.010 177.797 177.584 0.339 0.000 1.149 278 A CA -0.768 51.355 52.037 0.144 0.000 0.822 278 A CB 0.953 19.853 19.000 -0.166 0.000 1.131 278 A HN 0.507 nan 8.150 nan 0.000 0.493 279 R N 0.353 121.042 120.500 0.315 0.000 2.807 279 R HA 0.672 5.013 4.340 0.000 0.000 0.276 279 R C -1.873 174.512 176.300 0.141 0.000 0.979 279 R CA -0.801 55.433 56.100 0.224 0.000 0.928 279 R CB 1.685 31.954 30.300 -0.051 0.000 1.191 279 R HN 0.608 nan 8.270 nan 0.000 0.471 280 L N 1.023 122.196 121.223 -0.084 0.000 2.410 280 L HA 0.567 4.908 4.340 0.000 0.000 0.270 280 L C -1.442 175.307 176.870 -0.203 0.000 0.983 280 L CA -0.675 53.983 54.840 -0.305 0.000 0.822 280 L CB 2.336 43.864 42.059 -0.886 0.000 1.285 280 L HN 0.334 nan 8.230 nan 0.000 0.409 281 V N 5.343 125.167 119.914 -0.151 0.000 2.525 281 V HA 0.645 4.765 4.120 0.000 0.000 0.299 281 V C -0.954 175.092 176.094 -0.080 0.000 1.034 281 V CA -0.607 61.669 62.300 -0.039 0.000 0.863 281 V CB 2.087 33.928 31.823 0.031 0.000 0.999 281 V HN 0.502 nan 8.190 nan 0.000 0.423 282 V N 3.932 123.754 119.914 -0.153 0.000 2.443 282 V HA 0.825 4.945 4.120 0.000 0.000 0.293 282 V C 0.558 176.220 176.094 -0.720 0.000 1.021 282 V CA -0.233 61.716 62.300 -0.585 0.000 0.848 282 V CB 1.572 32.665 31.823 -1.217 0.000 0.998 282 V HN 0.922 nan 8.190 nan 0.000 0.424 283 G N 4.079 112.155 108.800 -1.206 0.000 2.601 283 G HA2 0.695 4.655 3.960 0.000 0.000 0.317 283 G HA3 0.695 4.655 3.960 0.000 0.000 0.317 283 G C -2.412 171.445 174.900 -1.737 0.000 1.246 283 G CA -1.587 42.295 45.100 -2.029 0.000 1.012 283 G HN 0.509 nan 8.290 nan 0.000 0.494 284 P HA 0.149 nan 4.420 nan 0.000 0.244 284 P C -0.603 176.511 177.300 -0.311 0.000 1.632 284 P CA -0.265 62.384 63.100 -0.751 0.000 0.944 284 P CB 0.038 30.957 31.700 -1.302 0.000 1.569 285 W N 1.037 122.346 121.300 0.015 0.000 2.359 285 W HA 0.366 5.026 4.660 0.000 0.000 0.344 285 W C 1.009 177.630 176.519 0.169 0.000 1.170 285 W CA -0.430 56.964 57.345 0.082 0.000 1.296 285 W CB 0.491 29.968 29.460 0.029 0.000 1.197 285 W HN -0.020 nan 8.180 nan 0.000 0.618 286 S N -0.766 115.160 115.700 0.377 0.000 2.758 286 S HA 0.172 4.642 4.470 0.000 0.000 0.292 286 S C 0.652 175.391 174.600 0.231 0.000 1.131 286 S CA -0.245 58.129 58.200 0.290 0.000 0.997 286 S CB 1.532 64.852 63.200 0.199 0.000 1.111 286 S HN 0.509 nan 8.310 nan 0.000 0.552 287 H N 0.917 120.037 119.070 0.083 0.000 2.421 287 H HA -0.012 4.544 4.556 0.000 0.000 0.298 287 H C 1.954 177.263 175.328 -0.032 0.000 1.087 287 H CA 2.295 58.366 56.048 0.039 0.000 1.330 287 H CB -0.037 29.738 29.762 0.022 0.000 1.388 287 H HN 0.688 nan 8.280 nan 0.000 0.526 288 S N -1.694 114.012 115.700 0.010 0.000 2.559 288 S HA 0.088 4.558 4.470 0.000 0.000 0.226 288 S C 0.343 174.913 174.600 -0.049 0.000 1.000 288 S CA -0.441 57.718 58.200 -0.067 0.000 0.948 288 S CB 0.269 63.416 63.200 -0.089 0.000 0.870 288 S HN 0.266 nan 8.310 nan 0.000 0.497 289 N N 1.167 119.868 118.700 0.002 0.000 2.623 289 N HA 0.405 5.145 4.740 0.000 0.000 0.256 289 N C -0.954 174.605 175.510 0.082 0.000 1.045 289 N CA -0.492 52.575 53.050 0.029 0.000 0.863 289 N CB 1.001 39.517 38.487 0.049 0.000 1.182 289 N HN 0.162 nan 8.380 nan 0.000 0.523 290 L N 2.342 123.545 121.223 -0.033 0.000 2.928 290 L HA 0.250 4.590 4.340 0.000 0.000 0.246 290 L C 1.914 178.782 176.870 -0.004 0.000 1.239 290 L CA 0.087 54.832 54.840 -0.158 0.000 1.035 290 L CB 0.297 42.012 42.059 -0.574 0.000 1.360 290 L HN 0.601 nan 8.230 nan 0.000 0.529 291 T N -4.673 109.946 114.554 0.107 0.000 3.054 291 T HA 0.176 4.526 4.350 0.000 0.000 0.259 291 T C 1.715 176.534 174.700 0.198 0.000 1.092 291 T CA 0.698 62.868 62.100 0.117 0.000 1.121 291 T CB 0.140 69.047 68.868 0.065 0.000 0.912 291 T HN 0.379 nan 8.240 nan 0.000 0.489 292 G N 1.612 110.590 108.800 0.297 0.000 2.179 292 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 292 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 292 G C 0.146 175.189 174.900 0.238 0.000 0.977 292 G CA 0.047 45.340 45.100 0.322 0.000 0.641 292 G HN 0.705 nan 8.290 nan 0.000 0.533 293 R N 0.633 121.207 120.500 0.124 0.000 2.387 293 R HA 0.595 4.935 4.340 0.000 0.000 0.314 293 R C -0.389 175.897 176.300 -0.023 0.000 0.958 293 R CA -0.635 55.473 56.100 0.013 0.000 0.846 293 R CB 1.004 31.310 30.300 0.009 0.000 1.147 293 R HN 0.259 nan 8.270 nan 0.000 0.447 294 N N 0.335 118.970 118.700 -0.109 0.000 2.571 294 N HA 0.219 4.960 4.740 0.000 0.000 0.273 294 N C 0.337 175.760 175.510 -0.145 0.000 1.340 294 N CA -0.398 52.577 53.050 -0.126 0.000 0.789 294 N CB 1.881 40.264 38.487 -0.172 0.000 1.514 294 N HN 0.482 nan 8.380 nan 0.000 0.499 295 A N 0.155 122.896 122.820 -0.131 0.000 1.917 295 A HA -0.163 4.158 4.320 0.000 0.000 0.219 295 A C 0.735 178.232 177.584 -0.144 0.000 1.182 295 A CA 1.770 53.736 52.037 -0.120 0.000 0.633 295 A CB -0.146 18.790 19.000 -0.107 0.000 0.819 295 A HN 0.660 nan 8.150 nan 0.000 0.448 296 D N -2.431 117.856 120.400 -0.188 0.000 2.563 296 D HA 0.267 4.907 4.640 0.000 0.000 0.237 296 D C -0.180 175.930 176.300 -0.318 0.000 1.282 296 D CA 0.037 53.903 54.000 -0.223 0.000 0.816 296 D CB 0.601 41.275 40.800 -0.211 0.000 1.066 296 D HN 0.249 nan 8.370 nan 0.000 0.501 297 R N 0.852 121.148 120.500 -0.341 0.000 2.523 297 R HA 0.283 4.624 4.340 0.000 0.000 0.278 297 R C -1.822 174.156 176.300 -0.537 0.000 1.150 297 R CA -0.390 55.418 56.100 -0.487 0.000 0.987 297 R CB 0.891 30.848 30.300 -0.572 0.000 1.232 297 R HN -0.324 nan 8.270 nan 0.000 0.424 298 K N 3.928 124.056 120.400 -0.454 0.000 2.323 298 K HA 0.400 4.720 4.320 0.000 0.000 0.259 298 K C -0.417 176.012 176.600 -0.284 0.000 0.947 298 K CA -0.320 55.773 56.287 -0.322 0.000 0.819 298 K CB 0.876 33.298 32.500 -0.130 0.000 1.109 298 K HN 0.413 nan 8.250 nan 0.000 0.429 299 F N 1.146 121.125 119.950 0.048 0.000 2.776 299 F HA 0.292 4.820 4.527 0.001 0.000 0.300 299 F C 1.113 177.006 175.800 0.155 0.000 1.116 299 F CA 0.170 58.235 58.000 0.108 0.000 1.375 299 F CB 0.171 39.151 39.000 -0.035 0.000 1.109 299 F HN 0.738 nan 8.300 nan 0.000 0.585 300 G N 0.645 109.584 108.800 0.231 0.000 2.663 300 G HA2 -0.229 3.731 3.960 0.000 0.000 0.686 300 G HA3 -0.229 3.731 3.960 0.000 0.000 0.686 300 G C 0.510 175.522 174.900 0.187 0.000 1.246 300 G CA -0.343 44.876 45.100 0.199 0.000 0.795 300 G HN 0.245 nan 8.290 nan 0.000 0.627 301 I N 0.946 121.610 120.570 0.157 0.000 2.423 301 I HA -0.017 4.153 4.170 0.000 0.000 0.254 301 I C 2.725 178.960 176.117 0.195 0.000 1.151 301 I CA 2.525 63.912 61.300 0.145 0.000 1.421 301 I CB -0.142 37.922 38.000 0.107 0.000 1.079 301 I HN 0.967 nan 8.210 nan 0.000 0.431 302 A N 0.362 123.338 122.820 0.260 0.000 2.015 302 A HA -0.063 4.257 4.320 0.000 0.000 0.219 302 A C 2.365 180.253 177.584 0.506 0.000 1.163 302 A CA 1.430 53.703 52.037 0.393 0.000 0.646 302 A CB -0.742 18.546 19.000 0.479 0.000 0.806 302 A HN 0.539 nan 8.150 nan 0.000 0.448 303 A N -0.823 122.135 122.820 0.229 0.000 2.067 303 A HA 0.185 4.506 4.320 0.000 0.000 0.217 303 A C 1.295 179.056 177.584 0.295 0.000 1.156 303 A CA 0.954 52.903 52.037 -0.147 0.000 0.683 303 A CB -0.798 17.849 19.000 -0.590 0.000 0.808 303 A HN 0.333 nan 8.150 nan 0.000 0.455 304 T N 0.457 115.188 114.554 0.295 0.000 2.934 304 T HA 0.083 4.433 4.350 0.000 0.000 0.306 304 T C -0.032 174.859 174.700 0.319 0.000 1.042 304 T CA 0.100 62.370 62.100 0.283 0.000 1.145 304 T CB -0.144 68.818 68.868 0.157 0.000 0.982 304 T HN 0.293 nan 8.240 nan 0.000 0.544 305 Y N 6.723 127.035 120.300 0.019 0.000 2.852 305 Y HA 0.087 4.638 4.550 0.000 0.000 0.343 305 Y C -1.697 174.155 175.900 -0.080 0.000 1.280 305 Y CA -2.037 55.904 58.100 -0.266 0.000 1.604 305 Y CB 0.303 38.313 38.460 -0.749 0.000 1.216 305 Y HN 0.375 nan 8.280 nan 0.000 0.541 306 P HA 0.074 nan 4.420 nan 0.000 0.238 306 P C 0.878 177.882 177.300 -0.492 0.000 1.794 306 P CA 0.253 63.136 63.100 -0.362 0.000 1.088 306 P CB 0.105 31.616 31.700 -0.315 0.000 1.923 307 I N 1.505 121.880 120.570 -0.325 0.000 2.286 307 I HA -0.278 3.892 4.170 0.000 0.000 0.248 307 I C 2.385 178.409 176.117 -0.155 0.000 1.115 307 I CA 1.444 62.637 61.300 -0.178 0.000 1.392 307 I CB 0.103 38.116 38.000 0.022 0.000 1.065 307 I HN 0.194 nan 8.210 nan 0.000 0.418 308 Q N 0.735 120.449 119.800 -0.143 0.000 2.020 308 Q HA -0.281 4.060 4.340 0.000 0.000 0.202 308 Q C 2.035 177.968 176.000 -0.111 0.000 0.982 308 Q CA 2.162 57.895 55.803 -0.117 0.000 0.838 308 Q CB -0.125 28.555 28.738 -0.096 0.000 0.899 308 Q HN 0.571 nan 8.270 nan 0.000 0.423 309 E N -0.070 120.042 120.200 -0.147 0.000 2.110 309 E HA -0.192 4.158 4.350 0.000 0.000 0.193 309 E C 1.930 178.454 176.600 -0.126 0.000 0.988 309 E CA 0.834 57.145 56.400 -0.149 0.000 0.804 309 E CB -0.146 29.423 29.700 -0.218 0.000 0.745 309 E HN 0.489 nan 8.360 nan 0.000 0.458 310 A N 0.959 123.680 122.820 -0.165 0.000 1.902 310 A HA -0.182 4.138 4.320 0.000 0.000 0.217 310 A C 2.371 180.015 177.584 0.100 0.000 1.181 310 A CA 1.872 53.883 52.037 -0.043 0.000 0.623 310 A CB -0.833 18.092 19.000 -0.126 0.000 0.818 310 A HN 0.176 nan 8.150 nan 0.000 0.443 311 T N -0.229 114.326 114.554 0.002 0.000 2.708 311 T HA -0.122 4.228 4.350 0.000 0.000 0.266 311 T C 2.022 176.828 174.700 0.177 0.000 1.037 311 T CA 1.943 64.076 62.100 0.055 0.000 1.146 311 T CB -0.601 68.207 68.868 -0.101 0.000 0.865 311 T HN 0.548 nan 8.240 nan 0.000 0.435 312 T N 2.152 116.750 114.554 0.074 0.000 2.746 312 T HA -0.042 4.309 4.350 0.000 0.000 0.267 312 T C 1.954 176.695 174.700 0.069 0.000 1.039 312 T CA 1.195 63.337 62.100 0.069 0.000 1.142 312 T CB -0.337 68.538 68.868 0.011 0.000 0.866 312 T HN 0.289 nan 8.240 nan 0.000 0.444 313 M N -0.055 119.570 119.600 0.042 0.000 2.132 313 M HA -0.148 4.333 4.480 0.000 0.000 0.263 313 M C 2.167 178.438 176.300 -0.048 0.000 1.065 313 M CA 1.754 57.047 55.300 -0.011 0.000 1.122 313 M CB -0.180 32.380 32.600 -0.066 0.000 1.365 313 M HN 0.287 nan 8.290 nan 0.000 0.411 314 H N -0.068 118.928 119.070 -0.124 0.000 2.353 314 H HA -0.146 4.410 4.556 0.000 0.000 0.300 314 H C 2.056 177.145 175.328 -0.399 0.000 1.090 314 H CA 2.058 57.905 56.048 -0.336 0.000 1.327 314 H CB -0.141 29.532 29.762 -0.148 0.000 1.383 314 H HN 0.331 nan 8.280 nan 0.000 0.508 315 K N 0.121 120.536 120.400 0.024 0.000 2.057 315 K HA -0.101 4.219 4.320 0.000 0.000 0.207 315 K C 2.289 178.917 176.600 0.046 0.000 1.049 315 K CA 0.975 57.271 56.287 0.014 0.000 0.931 315 K CB -0.082 32.549 32.500 0.218 0.000 0.714 315 K HN 0.279 nan 8.250 nan 0.000 0.440 316 A N 0.583 123.427 122.820 0.040 0.000 1.902 316 A HA -0.164 4.157 4.320 0.000 0.000 0.217 316 A C 1.979 179.571 177.584 0.014 0.000 1.181 316 A CA 1.267 53.325 52.037 0.035 0.000 0.623 316 A CB -0.782 18.235 19.000 0.028 0.000 0.818 316 A HN 0.483 nan 8.150 nan 0.000 0.443 317 F N -0.220 119.605 119.950 -0.210 0.000 2.102 317 F HA -0.150 4.377 4.527 0.001 0.000 0.298 317 F C 1.850 177.577 175.800 -0.122 0.000 1.105 317 F CA 1.683 59.541 58.000 -0.237 0.000 1.239 317 F CB -0.349 38.375 39.000 -0.461 0.000 0.991 317 F HN 0.218 nan 8.300 nan 0.000 0.474 318 F N 0.769 120.719 119.950 -0.000 0.000 2.186 318 F HA -0.123 4.404 4.527 0.000 0.000 0.299 318 F C 2.323 178.144 175.800 0.036 0.000 1.090 318 F CA 1.137 59.097 58.000 -0.067 0.000 1.307 318 F CB -1.322 37.514 39.000 -0.273 0.000 1.019 318 F HN -0.030 nan 8.300 nan 0.000 0.489 319 D N -0.090 120.445 120.400 0.225 0.000 2.123 319 D HA -0.184 4.457 4.640 0.000 0.000 0.196 319 D C 2.354 178.649 176.300 -0.010 0.000 0.992 319 D CA 1.119 55.207 54.000 0.148 0.000 0.833 319 D CB -0.283 40.583 40.800 0.110 0.000 0.954 319 D HN 0.082 nan 8.370 nan 0.000 0.455 320 R N 0.025 120.431 120.500 -0.156 0.000 2.066 320 R HA -0.094 4.247 4.340 0.000 0.000 0.232 320 R C 1.959 178.018 176.300 -0.402 0.000 1.131 320 R CA 1.562 57.446 56.100 -0.359 0.000 0.955 320 R CB -0.323 29.607 30.300 -0.617 0.000 0.851 320 R HN 0.305 nan 8.270 nan 0.000 0.432 321 H N -1.440 117.537 119.070 -0.154 0.000 2.553 321 H HA 0.171 4.727 4.556 0.001 0.000 0.276 321 H C 1.310 176.612 175.328 -0.043 0.000 0.979 321 H CA 0.827 56.783 56.048 -0.152 0.000 1.268 321 H CB 0.523 30.087 29.762 -0.328 0.000 1.450 321 H HN 0.140 nan 8.280 nan 0.000 0.527 322 L N -0.172 121.128 121.223 0.127 0.000 2.408 322 L HA 0.140 4.480 4.340 0.000 0.000 0.215 322 L C 2.256 179.161 176.870 0.058 0.000 1.081 322 L CA 0.822 55.731 54.840 0.116 0.000 0.840 322 L CB 0.127 42.305 42.059 0.197 0.000 1.002 322 L HN -0.032 nan 8.230 nan 0.000 0.468 323 R N -0.692 119.836 120.500 0.047 0.000 2.237 323 R HA 0.286 4.627 4.340 0.000 0.000 0.195 323 R C 1.069 177.359 176.300 -0.016 0.000 0.956 323 R CA 0.691 56.789 56.100 -0.004 0.000 1.029 323 R CB 0.160 30.456 30.300 -0.007 0.000 0.972 323 R HN 0.323 nan 8.270 nan 0.000 0.493 324 G N 2.149 110.934 108.800 -0.025 0.000 2.147 324 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 324 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 324 G C -0.424 174.448 174.900 -0.048 0.000 1.005 324 G CA -0.094 44.983 45.100 -0.038 0.000 0.713 324 G HN 0.368 nan 8.290 nan 0.000 0.515 325 E N 1.189 121.356 120.200 -0.055 0.000 1.932 325 E HA 0.286 4.636 4.350 0.000 0.000 0.275 325 E C 1.870 178.428 176.600 -0.070 0.000 1.159 325 E CA 0.291 56.663 56.400 -0.047 0.000 0.905 325 E CB 0.300 29.983 29.700 -0.028 0.000 1.059 325 E HN 0.501 nan 8.360 nan 0.000 0.400 326 T N -0.399 114.122 114.554 -0.055 0.000 2.849 326 T HA -0.210 4.140 4.350 0.000 0.000 0.270 326 T C 1.241 175.909 174.700 -0.053 0.000 1.066 326 T CA 1.218 63.283 62.100 -0.059 0.000 1.130 326 T CB 0.061 68.909 68.868 -0.034 0.000 0.864 326 T HN 0.202 nan 8.240 nan 0.000 0.481 327 D N 0.425 120.802 120.400 -0.038 0.000 2.363 327 D HA 0.509 5.149 4.640 0.000 0.000 0.214 327 D C 1.948 178.233 176.300 -0.026 0.000 1.093 327 D CA 0.376 54.361 54.000 -0.025 0.000 0.837 327 D CB -0.192 40.601 40.800 -0.013 0.000 0.948 327 D HN 0.432 nan 8.370 nan 0.000 0.507 328 A N -0.191 122.603 122.820 -0.043 0.000 2.024 328 A HA -0.066 4.254 4.320 0.000 0.000 0.220 328 A C 1.743 179.313 177.584 -0.022 0.000 1.164 328 A CA 0.856 52.874 52.037 -0.032 0.000 0.643 328 A CB -0.329 18.642 19.000 -0.048 0.000 0.806 328 A HN 0.378 nan 8.150 nan 0.000 0.451 329 L N -0.243 120.961 121.223 -0.031 0.000 2.741 329 L HA 0.281 4.621 4.340 0.000 0.000 0.237 329 L C 0.982 177.858 176.870 0.010 0.000 1.178 329 L CA -0.375 54.465 54.840 -0.000 0.000 0.973 329 L CB -0.075 41.993 42.059 0.015 0.000 1.255 329 L HN 0.333 nan 8.230 nan 0.000 0.498 330 A N 0.111 122.933 122.820 0.003 0.000 2.548 330 A HA 0.381 4.701 4.320 0.000 0.000 0.247 330 A C 1.510 179.101 177.584 0.012 0.000 1.067 330 A CA 0.813 52.856 52.037 0.009 0.000 0.757 330 A CB -0.219 18.783 19.000 0.005 0.000 0.996 330 A HN 0.640 nan 8.150 nan 0.000 0.504 331 G N 1.181 109.990 108.800 0.016 0.000 2.205 331 G HA2 -0.204 3.757 3.960 0.000 0.000 0.261 331 G HA3 -0.204 3.757 3.960 0.000 0.000 0.261 331 G C 0.271 175.180 174.900 0.014 0.000 0.980 331 G CA 0.232 45.341 45.100 0.015 0.000 0.632 331 G HN 1.486 nan 8.290 nan 0.000 0.533 332 V N 3.694 123.619 119.914 0.018 0.000 2.488 332 V HA 0.438 4.558 4.120 0.000 0.000 0.277 332 V C -0.697 175.417 176.094 0.033 0.000 1.046 332 V CA -1.083 61.227 62.300 0.017 0.000 0.986 332 V CB 1.097 32.932 31.823 0.021 0.000 0.989 332 V HN 0.324 nan 8.190 nan 0.000 0.475 333 P HA 0.218 nan 4.420 nan 0.000 0.274 333 P C 0.295 177.635 177.300 0.066 0.000 1.237 333 P CA -0.524 62.604 63.100 0.047 0.000 0.793 333 P CB 1.417 33.141 31.700 0.040 0.000 0.977 334 K N 0.779 121.238 120.400 0.100 0.000 2.057 334 K HA 0.032 4.353 4.320 0.000 0.000 0.206 334 K C 0.295 176.965 176.600 0.116 0.000 1.050 334 K CA 1.299 57.678 56.287 0.152 0.000 0.935 334 K CB -0.232 32.389 32.500 0.200 0.000 0.715 334 K HN 0.317 nan 8.250 nan 0.000 0.439 335 V N 0.424 120.382 119.914 0.075 0.000 2.709 335 V HA 0.439 4.559 4.120 0.000 0.000 0.308 335 V C -1.144 174.977 176.094 0.045 0.000 1.062 335 V CA -0.979 61.324 62.300 0.005 0.000 0.901 335 V CB 1.867 33.706 31.823 0.026 0.000 1.003 335 V HN 0.120 nan 8.190 nan 0.000 0.425 336 R N 4.293 124.816 120.500 0.038 0.000 2.483 336 R HA 0.741 5.081 4.340 0.000 0.000 0.303 336 R C -1.875 174.581 176.300 0.260 0.000 0.987 336 R CA -0.459 55.725 56.100 0.140 0.000 0.881 336 R CB 1.194 31.534 30.300 0.066 0.000 1.177 336 R HN 0.726 nan 8.270 nan 0.000 0.451 337 L N 4.366 125.772 121.223 0.304 0.000 2.346 337 L HA 0.518 4.859 4.340 0.000 0.000 0.274 337 L C -0.634 176.319 176.870 0.139 0.000 1.007 337 L CA -1.044 53.944 54.840 0.246 0.000 0.818 337 L CB 1.775 43.993 42.059 0.264 0.000 1.284 337 L HN 0.546 nan 8.230 nan 0.000 0.424 338 F N 3.081 122.788 119.950 -0.405 0.000 2.375 338 F HA 0.353 4.880 4.527 0.000 0.000 0.362 338 F C -0.066 175.571 175.800 -0.272 0.000 1.129 338 F CA -0.488 57.019 58.000 -0.821 0.000 1.154 338 F CB 0.859 38.948 39.000 -1.519 0.000 1.205 338 F HN 0.041 nan 8.300 nan 0.000 0.513 339 V N 8.291 127.813 119.914 -0.652 0.000 2.389 339 V HA 0.124 4.244 4.120 0.000 0.000 0.264 339 V C 0.606 176.342 176.094 -0.597 0.000 1.049 339 V CA -0.396 61.631 62.300 -0.456 0.000 0.932 339 V CB 0.403 32.033 31.823 -0.323 0.000 1.011 339 V HN 0.765 nan 8.190 nan 0.000 0.475 340 M N 3.422 122.795 119.600 -0.379 0.000 2.198 340 M HA 0.476 4.956 4.480 0.000 0.000 0.315 340 M C 1.561 177.748 176.300 -0.187 0.000 1.134 340 M CA 1.239 56.437 55.300 -0.170 0.000 1.171 340 M CB 0.511 33.082 32.600 -0.048 0.000 1.413 340 M HN 0.863 nan 8.290 nan 0.000 0.467 341 G N 1.133 109.906 108.800 -0.046 0.000 4.890 341 G HA2 -0.323 3.637 3.960 0.000 0.000 0.221 341 G HA3 -0.323 3.637 3.960 0.000 0.000 0.221 341 G C 0.667 175.487 174.900 -0.133 0.000 1.472 341 G CA 0.511 45.515 45.100 -0.160 0.000 0.962 341 G HN 0.874 nan 8.290 nan 0.000 0.671 342 I N -1.265 119.195 120.570 -0.183 0.000 2.614 342 I HA 0.195 4.365 4.170 0.000 0.000 0.258 342 I C 0.557 176.576 176.117 -0.163 0.000 1.189 342 I CA 1.480 62.685 61.300 -0.157 0.000 1.462 342 I CB -0.516 37.383 38.000 -0.167 0.000 1.092 342 I HN 0.234 nan 8.210 nan 0.000 0.442 343 D N 2.591 122.840 120.400 -0.252 0.000 2.737 343 D HA -0.168 4.473 4.640 0.000 0.000 0.238 343 D C -0.354 175.624 176.300 -0.537 0.000 1.157 343 D CA 0.996 54.817 54.000 -0.297 0.000 0.694 343 D CB -1.046 39.893 40.800 0.233 0.000 1.021 343 D HN 0.740 nan 8.370 nan 0.000 0.420 344 E N -1.049 118.596 120.200 -0.925 0.000 2.340 344 E HA 0.411 4.761 4.350 0.000 0.000 0.273 344 E C -0.309 175.887 176.600 -0.674 0.000 0.891 344 E CA -0.903 55.173 56.400 -0.540 0.000 0.757 344 E CB 1.091 30.659 29.700 -0.219 0.000 1.231 344 E HN 0.046 nan 8.360 nan 0.000 0.439 345 W N 1.796 122.988 121.300 -0.179 0.000 2.190 345 W HA 0.302 4.962 4.660 0.001 0.000 0.330 345 W C 0.586 177.069 176.519 -0.060 0.000 1.299 345 W CA 0.083 57.401 57.345 -0.045 0.000 1.215 345 W CB 0.674 30.184 29.460 0.083 0.000 1.147 345 W HN 0.170 nan 8.180 nan 0.000 0.563 346 R N 1.890 122.528 120.500 0.230 0.000 2.584 346 R HA 0.179 4.519 4.340 0.000 0.000 0.276 346 R C -1.482 174.907 176.300 0.148 0.000 1.046 346 R CA -0.772 55.405 56.100 0.129 0.000 0.906 346 R CB 1.258 31.581 30.300 0.039 0.000 1.215 346 R HN 0.333 nan 8.270 nan 0.000 0.449 347 D N 2.497 122.963 120.400 0.109 0.000 2.255 347 D HA 0.262 4.902 4.640 0.000 0.000 0.249 347 D C -0.257 176.096 176.300 0.088 0.000 1.078 347 D CA 0.109 54.166 54.000 0.095 0.000 0.896 347 D CB 1.396 42.237 40.800 0.069 0.000 1.194 347 D HN 0.307 nan 8.370 nan 0.000 0.429 348 E N -0.357 119.902 120.200 0.098 0.000 2.392 348 E HA 0.261 4.611 4.350 0.000 0.000 0.269 348 E C 0.531 177.197 176.600 0.110 0.000 0.924 348 E CA -0.498 55.964 56.400 0.103 0.000 0.784 348 E CB 1.600 31.381 29.700 0.135 0.000 1.292 348 E HN 0.402 nan 8.360 nan 0.000 0.447 349 T N -3.102 111.519 114.554 0.111 0.000 3.044 349 T HA 0.160 4.510 4.350 0.000 0.000 0.250 349 T C 0.201 175.008 174.700 0.177 0.000 1.081 349 T CA 0.292 62.467 62.100 0.124 0.000 1.040 349 T CB 0.311 69.236 68.868 0.096 0.000 0.962 349 T HN 0.234 nan 8.240 nan 0.000 0.506 350 D N -1.153 119.367 120.400 0.200 0.000 2.653 350 D HA 0.319 4.959 4.640 0.000 0.000 0.258 350 D C -2.245 174.250 176.300 0.325 0.000 1.252 350 D CA -0.669 53.505 54.000 0.290 0.000 0.777 350 D CB 1.691 42.618 40.800 0.213 0.000 1.339 350 D HN 0.167 nan 8.370 nan 0.000 0.422 351 W N 3.336 124.788 121.300 0.254 0.000 2.781 351 W HA 0.450 5.110 4.660 0.000 0.000 0.333 351 W C -2.854 173.840 176.519 0.291 0.000 1.047 351 W CA -1.817 55.633 57.345 0.174 0.000 1.236 351 W CB 1.601 31.030 29.460 -0.052 0.000 1.394 351 W HN 0.189 nan 8.180 nan 0.000 0.466 352 P HA -0.041 nan 4.420 nan 0.000 0.269 352 P C -0.192 176.929 177.300 -0.299 0.000 1.217 352 P CA 0.003 62.628 63.100 -0.792 0.000 0.783 352 P CB 0.654 32.102 31.700 -0.420 0.000 0.898 353 L N 4.392 125.424 121.223 -0.318 0.000 2.485 353 L HA 0.064 4.404 4.340 0.000 0.000 0.275 353 L C -1.184 175.634 176.870 -0.087 0.000 1.207 353 L CA -0.652 54.122 54.840 -0.110 0.000 0.855 353 L CB -0.635 41.363 42.059 -0.102 0.000 1.114 353 L HN 0.419 nan 8.230 nan 0.000 0.485 354 P HA -0.145 nan 4.420 nan 0.000 0.216 354 P C 0.198 177.481 177.300 -0.028 0.000 1.153 354 P CA 1.286 64.382 63.100 -0.006 0.000 0.858 354 P CB 0.236 31.945 31.700 0.015 0.000 0.789 355 D N -2.084 118.286 120.400 -0.050 0.000 2.395 355 D HA 0.048 4.688 4.640 0.000 0.000 0.226 355 D C -0.141 176.095 176.300 -0.107 0.000 1.146 355 D CA 0.302 54.269 54.000 -0.056 0.000 0.830 355 D CB -0.727 40.048 40.800 -0.041 0.000 0.958 355 D HN 0.061 nan 8.370 nan 0.000 0.501 356 T N 1.165 115.616 114.554 -0.172 0.000 2.817 356 T HA 0.353 4.703 4.350 0.000 0.000 0.295 356 T C 0.402 174.895 174.700 -0.346 0.000 0.958 356 T CA -0.237 61.655 62.100 -0.345 0.000 1.157 356 T CB 0.967 69.488 68.868 -0.578 0.000 0.898 356 T HN 0.062 nan 8.240 nan 0.000 0.536 357 A N 4.448 127.096 122.820 -0.287 0.000 2.341 357 A HA 0.479 4.799 4.320 0.000 0.000 0.326 357 A C -0.582 176.892 177.584 -0.183 0.000 1.402 357 A CA -0.643 51.300 52.037 -0.156 0.000 0.957 357 A CB -0.180 18.779 19.000 -0.069 0.000 1.151 357 A HN 0.835 nan 8.150 nan 0.000 0.533 358 Y N 2.073 122.369 120.300 -0.006 0.000 2.624 358 Y HA 0.258 4.808 4.550 0.000 0.000 0.354 358 Y C 0.732 176.643 175.900 0.018 0.000 1.051 358 Y CA 0.611 58.714 58.100 0.005 0.000 1.377 358 Y CB 0.531 38.990 38.460 -0.002 0.000 1.168 358 Y HN 0.534 nan 8.280 nan 0.000 0.525 359 T N 6.524 121.169 114.554 0.152 0.000 2.791 359 T HA 0.312 4.662 4.350 0.000 0.000 0.288 359 T C -2.690 172.089 174.700 0.132 0.000 0.999 359 T CA -1.968 60.199 62.100 0.111 0.000 0.952 359 T CB 1.273 70.229 68.868 0.147 0.000 0.938 359 T HN 0.178 nan 8.240 nan 0.000 0.444 360 P HA 0.308 nan 4.420 nan 0.000 0.271 360 P C -0.947 176.133 177.300 -0.367 0.000 1.220 360 P CA -0.350 62.566 63.100 -0.306 0.000 0.768 360 P CB 0.184 31.349 31.700 -0.891 0.000 0.848 361 F N 3.000 122.746 119.950 -0.340 0.000 2.375 361 F HA 0.349 4.876 4.527 0.000 0.000 0.361 361 F C 0.119 175.784 175.800 -0.225 0.000 1.117 361 F CA -0.415 57.450 58.000 -0.225 0.000 1.037 361 F CB 0.552 39.484 39.000 -0.112 0.000 1.192 361 F HN 0.256 nan 8.300 nan 0.000 0.452 362 Y N 3.484 123.849 120.300 0.109 0.000 2.319 362 Y HA 0.377 4.927 4.550 0.000 0.000 0.328 362 Y C 0.393 176.322 175.900 0.048 0.000 1.133 362 Y CA -0.714 57.440 58.100 0.090 0.000 1.265 362 Y CB 0.586 39.060 38.460 0.025 0.000 1.218 362 Y HN 0.298 nan 8.280 nan 0.000 0.508 363 L N 3.348 124.641 121.223 0.117 0.000 2.410 363 L HA 0.497 4.837 4.340 0.000 0.000 0.273 363 L C 0.766 177.687 176.870 0.086 0.000 1.152 363 L CA 0.131 54.919 54.840 -0.087 0.000 0.855 363 L CB 0.056 41.835 42.059 -0.467 0.000 1.129 363 L HN 0.891 nan 8.230 nan 0.000 0.463 364 G N 0.800 109.707 108.800 0.178 0.000 2.782 364 G HA2 0.763 4.723 3.960 0.000 0.000 0.304 364 G HA3 0.763 4.723 3.960 0.000 0.000 0.304 364 G C -0.741 174.286 174.900 0.212 0.000 1.315 364 G CA -0.243 44.961 45.100 0.172 0.000 0.791 364 G HN 0.949 nan 8.290 nan 0.000 0.519 365 G N -1.512 107.368 108.800 0.133 0.000 2.402 365 G HA2 0.455 4.415 3.960 0.000 0.000 0.666 365 G HA3 0.455 4.415 3.960 0.000 0.000 0.666 365 G C -0.472 174.471 174.900 0.072 0.000 1.402 365 G CA 0.018 45.179 45.100 0.103 0.000 0.920 365 G HN 1.321 nan 8.290 nan 0.000 0.651 366 S N 0.674 116.403 115.700 0.048 0.000 2.545 366 S HA 0.759 5.229 4.470 0.000 0.000 0.275 366 S C 1.210 175.827 174.600 0.030 0.000 1.299 366 S CA 1.361 59.582 58.200 0.034 0.000 1.048 366 S CB 0.983 64.197 63.200 0.024 0.000 0.938 366 S HN 2.561 nan 8.310 nan 0.000 0.496 367 G N 1.826 110.643 108.800 0.028 0.000 2.512 367 G HA2 0.108 4.068 3.960 0.000 0.000 0.240 367 G HA3 0.108 4.068 3.960 0.000 0.000 0.240 367 G C -0.260 174.656 174.900 0.026 0.000 1.246 367 G CA -0.368 44.745 45.100 0.021 0.000 0.919 367 G HN 1.373 nan 8.290 nan 0.000 0.577 368 A N -0.564 122.264 122.820 0.014 0.000 2.317 368 A HA 0.923 5.243 4.320 0.000 0.000 0.327 368 A C 0.988 178.556 177.584 -0.027 0.000 1.178 368 A CA 0.642 52.686 52.037 0.013 0.000 0.817 368 A CB 1.580 20.590 19.000 0.018 0.000 1.189 368 A HN 2.437 nan 8.150 nan 0.000 0.489 369 A N 2.440 125.227 122.820 -0.055 0.000 2.251 369 A HA 0.174 4.494 4.320 0.000 0.000 0.209 369 A C 0.471 177.925 177.584 -0.216 0.000 1.187 369 A CA -0.141 51.763 52.037 -0.222 0.000 0.823 369 A CB -0.710 17.988 19.000 -0.503 0.000 0.846 369 A HN 0.823 nan 8.150 nan 0.000 0.486 370 N N 1.996 120.643 118.700 -0.088 0.000 2.454 370 N HA 0.352 5.092 4.740 0.000 0.000 0.260 370 N C 0.296 175.758 175.510 -0.080 0.000 1.218 370 N CA 1.423 54.436 53.050 -0.062 0.000 0.904 370 N CB 0.046 38.538 38.487 0.007 0.000 1.065 370 N HN 0.558 nan 8.380 nan 0.000 0.462 371 T N -1.512 112.991 114.554 -0.086 0.000 0.541 371 T HA -0.233 4.117 4.350 0.000 0.000 0.774 371 T C 0.862 175.474 174.700 -0.146 0.000 0.992 371 T CA 0.292 62.345 62.100 -0.077 0.000 4.077 371 T CB -1.243 67.602 68.868 -0.037 0.000 2.303 371 T HN 0.777 nan 8.240 nan 0.000 0.398 372 S N -0.451 115.126 115.700 -0.206 0.000 2.481 372 S HA 0.037 4.508 4.470 0.000 0.000 0.231 372 S C 1.823 176.308 174.600 -0.192 0.000 0.996 372 S CA 1.337 59.337 58.200 -0.334 0.000 0.942 372 S CB -0.760 61.984 63.200 -0.759 0.000 0.768 372 S HN 1.988 nan 8.310 nan 0.000 0.520 373 T N -1.656 112.827 114.554 -0.118 0.000 3.122 373 T HA 0.464 4.815 4.350 0.000 0.000 0.250 373 T C 0.982 175.645 174.700 -0.061 0.000 1.067 373 T CA 0.010 62.067 62.100 -0.071 0.000 0.966 373 T CB -0.028 68.817 68.868 -0.038 0.000 1.002 373 T HN 0.393 nan 8.240 nan 0.000 0.542 374 G N 0.434 109.183 108.800 -0.084 0.000 2.553 374 G HA2 0.468 4.428 3.960 0.000 0.000 0.278 374 G HA3 0.468 4.428 3.960 0.000 0.000 0.278 374 G C 0.842 175.700 174.900 -0.070 0.000 1.349 374 G CA -0.382 44.672 45.100 -0.076 0.000 1.037 374 G HN 0.355 nan 8.290 nan 0.000 0.508 375 G N -1.152 107.615 108.800 -0.056 0.000 3.337 375 G HA2 0.433 4.393 3.960 0.000 0.000 0.246 375 G HA3 0.433 4.393 3.960 0.000 0.000 0.246 375 G C 0.779 175.673 174.900 -0.010 0.000 1.131 375 G CA 0.454 45.540 45.100 -0.023 0.000 0.773 375 G HN 0.855 nan 8.290 nan 0.000 0.544 376 G N 1.003 109.754 108.800 -0.082 0.000 2.313 376 G HA2 0.414 4.374 3.960 0.000 0.000 0.250 376 G HA3 0.414 4.374 3.960 0.000 0.000 0.250 376 G C 0.350 175.321 174.900 0.119 0.000 1.281 376 G CA 0.687 45.762 45.100 -0.041 0.000 0.917 376 G HN 0.423 nan 8.290 nan 0.000 0.501 377 T N -0.154 114.556 114.554 0.260 0.000 2.924 377 T HA 0.727 5.078 4.350 0.000 0.000 0.291 377 T C -0.303 174.550 174.700 0.255 0.000 1.045 377 T CA -0.972 61.252 62.100 0.206 0.000 1.015 377 T CB 1.857 70.807 68.868 0.138 0.000 1.103 377 T HN 0.310 nan 8.240 nan 0.000 0.496 378 L N 1.501 122.846 121.223 0.203 0.000 2.365 378 L HA 0.784 5.124 4.340 0.000 0.000 0.273 378 L C -0.186 176.806 176.870 0.204 0.000 1.000 378 L CA -0.768 54.203 54.840 0.219 0.000 0.819 378 L CB 2.127 44.326 42.059 0.234 0.000 1.284 378 L HN 0.910 nan 8.230 nan 0.000 0.418 379 S N -0.694 115.109 115.700 0.172 0.000 2.537 379 S HA 0.284 4.754 4.470 0.000 0.000 0.270 379 S C 0.537 175.077 174.600 -0.099 0.000 1.142 379 S CA -0.066 58.160 58.200 0.044 0.000 0.870 379 S CB 1.733 64.967 63.200 0.056 0.000 1.112 379 S HN 0.756 nan 8.310 nan 0.000 0.466 380 T N 0.591 114.947 114.554 -0.330 0.000 3.113 380 T HA 0.167 4.517 4.350 0.000 0.000 0.263 380 T C 0.640 175.332 174.700 -0.012 0.000 1.143 380 T CA 0.341 62.210 62.100 -0.384 0.000 1.090 380 T CB -0.236 68.328 68.868 -0.507 0.000 0.922 380 T HN 0.343 nan 8.240 nan 0.000 0.521 381 S N 1.071 116.772 115.700 0.002 0.000 2.525 381 S HA 0.536 5.006 4.470 0.000 0.000 0.278 381 S C 0.296 174.810 174.600 -0.144 0.000 1.234 381 S CA -0.826 57.344 58.200 -0.050 0.000 1.058 381 S CB 0.741 63.900 63.200 -0.068 0.000 0.983 381 S HN 0.370 nan 8.310 nan 0.000 0.495 382 I N 2.313 122.596 120.570 -0.478 0.000 2.775 382 I HA -0.026 4.144 4.170 0.000 0.000 0.290 382 I C 1.094 177.030 176.117 -0.301 0.000 1.203 382 I CA 0.138 60.996 61.300 -0.736 0.000 1.433 382 I CB 0.485 38.072 38.000 -0.689 0.000 1.354 382 I HN 0.504 nan 8.210 nan 0.000 0.579 383 S N 4.125 119.704 115.700 -0.202 0.000 2.560 383 S HA 0.131 4.601 4.470 0.000 0.000 0.284 383 S C 1.220 175.766 174.600 -0.089 0.000 1.327 383 S CA 0.057 58.211 58.200 -0.077 0.000 1.055 383 S CB 0.999 64.194 63.200 -0.008 0.000 0.868 383 S HN 0.813 nan 8.310 nan 0.000 0.506 384 G N 2.444 111.210 108.800 -0.056 0.000 2.453 384 G HA2 0.114 4.074 3.960 0.000 0.000 0.215 384 G HA3 0.114 4.074 3.960 0.000 0.000 0.215 384 G C 0.403 175.281 174.900 -0.037 0.000 1.147 384 G CA 0.706 45.774 45.100 -0.053 0.000 0.802 384 G HN 0.836 nan 8.290 nan 0.000 0.535 385 T N -0.699 113.845 114.554 -0.017 0.000 2.807 385 T HA 0.523 4.874 4.350 0.000 0.000 0.279 385 T C -0.654 174.053 174.700 0.012 0.000 0.993 385 T CA -0.802 61.296 62.100 -0.003 0.000 0.970 385 T CB 2.650 71.521 68.868 0.006 0.000 0.950 385 T HN -0.085 nan 8.240 nan 0.000 0.441 386 E N 1.870 122.081 120.200 0.017 0.000 2.417 386 E HA 0.333 4.683 4.350 0.000 0.000 0.261 386 E C -0.173 176.458 176.600 0.052 0.000 1.000 386 E CA 0.285 56.714 56.400 0.048 0.000 0.919 386 E CB 1.201 30.938 29.700 0.061 0.000 0.955 386 E HN 0.720 nan 8.360 nan 0.000 0.455 387 S N 0.683 116.420 115.700 0.063 0.000 2.656 387 S HA 0.810 5.280 4.470 0.000 0.000 0.273 387 S C -1.826 172.791 174.600 0.028 0.000 1.168 387 S CA -0.164 58.065 58.200 0.048 0.000 0.817 387 S CB 1.608 64.841 63.200 0.055 0.000 1.146 387 S HN 0.512 nan 8.310 nan 0.000 0.475 388 A N 1.673 124.488 122.820 -0.008 0.000 2.547 388 A HA 0.676 4.997 4.320 0.000 0.000 0.297 388 A C -2.076 175.492 177.584 -0.027 0.000 1.056 388 A CA -0.692 51.286 52.037 -0.098 0.000 0.688 388 A CB 1.342 20.175 19.000 -0.278 0.000 1.282 388 A HN 0.678 nan 8.150 nan 0.000 0.400 389 D N 1.623 122.033 120.400 0.016 0.000 2.192 389 D HA 0.614 5.255 4.640 0.000 0.000 0.246 389 D C -0.613 175.741 176.300 0.091 0.000 1.042 389 D CA 0.270 54.328 54.000 0.096 0.000 0.847 389 D CB 2.017 42.936 40.800 0.198 0.000 1.186 389 D HN 0.412 nan 8.370 nan 0.000 0.461 390 T N 1.620 116.235 114.554 0.100 0.000 2.876 390 T HA 0.594 4.944 4.350 0.000 0.000 0.289 390 T C -0.750 174.049 174.700 0.166 0.000 1.014 390 T CA -0.720 61.405 62.100 0.042 0.000 0.986 390 T CB 1.061 69.924 68.868 -0.008 0.000 1.021 390 T HN 0.370 nan 8.240 nan 0.000 0.458 391 Y N 0.328 120.678 120.300 0.084 0.000 2.638 391 Y HA 0.799 5.349 4.550 0.000 0.000 0.335 391 Y C -1.738 174.217 175.900 0.091 0.000 1.155 391 Y CA -1.817 56.333 58.100 0.082 0.000 1.046 391 Y CB 0.865 39.382 38.460 0.094 0.000 1.303 391 Y HN 0.520 nan 8.280 nan 0.000 0.460 392 L N 3.290 124.667 121.223 0.256 0.000 2.264 392 L HA 0.414 4.754 4.340 0.000 0.000 0.289 392 L C -1.188 175.871 176.870 0.315 0.000 1.044 392 L CA -0.595 54.347 54.840 0.170 0.000 0.807 392 L CB 0.407 42.522 42.059 0.093 0.000 1.192 392 L HN 0.691 nan 8.230 nan 0.000 0.425 393 Y N 4.922 125.308 120.300 0.143 0.000 2.367 393 Y HA 0.439 4.989 4.550 0.001 0.000 0.342 393 Y C -0.878 175.044 175.900 0.037 0.000 0.979 393 Y CA -1.117 57.059 58.100 0.127 0.000 1.161 393 Y CB 0.727 39.261 38.460 0.123 0.000 1.155 393 Y HN 0.666 nan 8.280 nan 0.000 0.503 394 D N 8.721 128.919 120.400 -0.337 0.000 2.414 394 D HA 0.345 4.985 4.640 0.000 0.000 0.232 394 D C -2.203 173.787 176.300 -0.516 0.000 1.070 394 D CA -2.666 51.083 54.000 -0.419 0.000 0.839 394 D CB 2.247 42.957 40.800 -0.149 0.000 1.079 394 D HN 0.322 nan 8.370 nan 0.000 0.521 395 P HA -0.099 nan 4.420 nan 0.000 0.218 395 P C 0.883 178.064 177.300 -0.200 0.000 1.146 395 P CA 1.001 63.889 63.100 -0.354 0.000 0.813 395 P CB 0.259 31.793 31.700 -0.277 0.000 0.778 396 A N -1.018 121.695 122.820 -0.178 0.000 2.119 396 A HA -0.101 4.219 4.320 0.000 0.000 0.217 396 A C 1.161 178.689 177.584 -0.094 0.000 1.153 396 A CA 1.253 53.215 52.037 -0.126 0.000 0.692 396 A CB -0.675 18.268 19.000 -0.095 0.000 0.799 396 A HN 0.093 nan 8.150 nan 0.000 0.458 397 D N -0.621 119.740 120.400 -0.065 0.000 2.552 397 D HA 0.267 4.907 4.640 0.000 0.000 0.285 397 D C -2.903 173.436 176.300 0.064 0.000 1.206 397 D CA -1.981 52.016 54.000 -0.004 0.000 0.826 397 D CB 1.116 41.922 40.800 0.009 0.000 1.179 397 D HN 0.135 nan 8.370 nan 0.000 0.508 398 P HA 0.137 nan 4.420 nan 0.000 0.276 398 P C -0.029 177.356 177.300 0.142 0.000 1.252 398 P CA -0.546 62.650 63.100 0.160 0.000 0.802 398 P CB 1.206 32.953 31.700 0.077 0.000 1.035 399 V N 3.427 123.419 119.914 0.130 0.000 2.529 399 V HA 0.077 4.197 4.120 0.000 0.000 0.292 399 V C -1.746 174.434 176.094 0.142 0.000 1.028 399 V CA -1.009 61.354 62.300 0.104 0.000 1.074 399 V CB -0.181 31.679 31.823 0.061 0.000 0.958 399 V HN 0.593 nan 8.190 nan 0.000 0.481 400 P HA 0.149 nan 4.420 nan 0.000 0.271 400 P C -0.239 177.128 177.300 0.112 0.000 1.216 400 P CA -0.121 63.065 63.100 0.144 0.000 0.776 400 P CB 0.492 32.266 31.700 0.122 0.000 0.881 401 S N 2.200 117.962 115.700 0.103 0.000 2.549 401 S HA 0.250 4.720 4.470 0.000 0.000 0.283 401 S C 0.074 174.726 174.600 0.086 0.000 1.320 401 S CA 0.075 58.323 58.200 0.080 0.000 1.058 401 S CB -0.237 62.990 63.200 0.045 0.000 0.882 401 S HN 0.349 nan 8.310 nan 0.000 0.498 402 L N 3.445 124.701 121.223 0.055 0.000 2.529 402 L HA 0.588 4.929 4.340 0.000 0.000 0.260 402 L C 0.515 177.394 176.870 0.015 0.000 0.997 402 L CA 0.983 55.838 54.840 0.024 0.000 0.885 402 L CB 0.112 42.177 42.059 0.010 0.000 1.185 402 L HN 0.942 nan 8.230 nan 0.000 0.442 403 G N 3.051 111.847 108.800 -0.006 0.000 2.527 403 G HA2 0.216 4.176 3.960 0.000 0.000 0.268 403 G HA3 0.216 4.176 3.960 0.000 0.000 0.268 403 G C 0.766 175.705 174.900 0.064 0.000 1.175 403 G CA 0.155 45.249 45.100 -0.009 0.000 0.962 403 G HN 2.023 nan 8.290 nan 0.000 0.560 404 G N -2.350 106.547 108.800 0.161 0.000 2.550 404 G HA2 0.163 4.124 3.960 0.000 0.000 0.277 404 G HA3 0.163 4.124 3.960 0.000 0.000 0.277 404 G C 1.209 176.266 174.900 0.261 0.000 1.190 404 G CA 2.424 47.682 45.100 0.264 0.000 0.971 404 G HN 2.702 nan 8.290 nan 0.000 0.559 405 T N -0.615 114.018 114.554 0.132 0.000 3.264 405 T HA 0.622 4.972 4.350 0.000 0.000 0.257 405 T C 0.996 175.689 174.700 -0.011 0.000 0.976 405 T CA 0.181 62.329 62.100 0.081 0.000 0.908 405 T CB -0.290 68.598 68.868 0.032 0.000 1.082 405 T HN 0.651 nan 8.240 nan 0.000 0.567 406 L N 1.196 122.417 121.223 -0.004 0.000 2.543 406 L HA 0.147 4.487 4.340 0.000 0.000 0.285 406 L C 1.344 178.204 176.870 -0.018 0.000 1.236 406 L CA -0.024 54.802 54.840 -0.023 0.000 0.871 406 L CB 0.504 42.567 42.059 0.006 0.000 1.121 406 L HN 0.305 nan 8.230 nan 0.000 0.501 407 L N 1.754 122.968 121.223 -0.015 0.000 2.347 407 L HA 0.090 4.430 4.340 0.000 0.000 0.196 407 L C 1.287 178.030 176.870 -0.211 0.000 1.072 407 L CA 0.709 55.499 54.840 -0.083 0.000 0.817 407 L CB 0.038 42.078 42.059 -0.031 0.000 1.029 407 L HN 0.518 nan 8.230 nan 0.000 0.478 408 F N -2.244 117.754 119.950 0.080 0.000 2.667 408 F HA 0.138 4.665 4.527 0.000 0.000 0.288 408 F C 0.964 176.811 175.800 0.079 0.000 1.086 408 F CA -0.439 57.620 58.000 0.099 0.000 1.297 408 F CB 0.212 39.294 39.000 0.136 0.000 1.059 408 F HN -0.036 nan 8.300 nan 0.000 0.624 409 H N 1.850 121.007 119.070 0.144 0.000 2.934 409 H HA 0.211 4.767 4.556 0.000 0.000 0.273 409 H C 0.106 175.440 175.328 0.009 0.000 1.121 409 H CA -0.586 55.490 56.048 0.046 0.000 1.451 409 H CB -0.421 29.326 29.762 -0.025 0.000 1.469 409 H HN 0.018 nan 8.280 nan 0.000 0.476 410 N N 3.333 121.802 118.700 -0.386 0.000 2.699 410 N HA -0.160 4.580 4.740 0.000 0.000 0.256 410 N C 0.753 176.169 175.510 -0.158 0.000 0.993 410 N CA 1.118 53.981 53.050 -0.313 0.000 0.759 410 N CB -1.022 37.188 38.487 -0.461 0.000 0.906 410 N HN 0.909 nan 8.380 nan 0.000 0.541 411 G N -0.106 108.639 108.800 -0.092 0.000 3.314 411 G HA2 -0.017 3.943 3.960 0.000 0.000 0.238 411 G HA3 -0.017 3.943 3.960 0.000 0.000 0.238 411 G C 0.622 175.500 174.900 -0.037 0.000 1.184 411 G CA 0.216 45.284 45.100 -0.052 0.000 0.806 411 G HN 0.446 nan 8.290 nan 0.000 0.536 412 D N -1.047 119.321 120.400 -0.054 0.000 2.501 412 D HA 0.083 4.723 4.640 0.000 0.000 0.226 412 D C 0.369 176.637 176.300 -0.054 0.000 1.198 412 D CA -0.671 53.306 54.000 -0.039 0.000 0.830 412 D CB 0.102 40.876 40.800 -0.042 0.000 1.014 412 D HN 0.088 nan 8.370 nan 0.000 0.496 413 N N 0.031 118.684 118.700 -0.079 0.000 2.646 413 N HA 0.226 4.966 4.740 0.000 0.000 0.296 413 N C 1.349 176.749 175.510 -0.183 0.000 1.886 413 N CA 0.079 53.056 53.050 -0.122 0.000 0.855 413 N CB 0.633 39.052 38.487 -0.114 0.000 1.336 413 N HN 0.041 nan 8.380 nan 0.000 0.496 414 G N 1.379 110.027 108.800 -0.254 0.000 2.586 414 G HA2 -0.188 3.773 3.960 0.000 0.000 0.218 414 G HA3 -0.188 3.773 3.960 0.000 0.000 0.218 414 G C -1.317 173.128 174.900 -0.759 0.000 1.216 414 G CA 0.630 45.427 45.100 -0.506 0.000 0.786 414 G HN 0.431 nan 8.290 nan 0.000 0.583 415 P HA 0.390 nan 4.420 nan 0.000 0.226 415 P C -0.251 176.919 177.300 -0.217 0.000 1.783 415 P CA -0.084 62.763 63.100 -0.422 0.000 0.980 415 P CB -0.036 31.524 31.700 -0.233 0.000 1.967 416 A N 1.521 124.250 122.820 -0.152 0.000 2.388 416 A HA 0.220 4.540 4.320 0.000 0.000 0.257 416 A C 0.302 177.834 177.584 -0.086 0.000 1.095 416 A CA -0.349 51.618 52.037 -0.116 0.000 0.791 416 A CB 0.029 18.979 19.000 -0.083 0.000 1.029 416 A HN 0.199 nan 8.150 nan 0.000 0.489 417 D N 1.133 121.466 120.400 -0.111 0.000 2.417 417 D HA 0.085 4.725 4.640 0.000 0.000 0.250 417 D C 0.749 176.988 176.300 -0.103 0.000 1.166 417 D CA 0.196 54.133 54.000 -0.105 0.000 0.881 417 D CB 0.788 41.512 40.800 -0.126 0.000 1.164 417 D HN 0.406 nan 8.370 nan 0.000 0.467 418 Q N 3.403 123.141 119.800 -0.103 0.000 2.425 418 Q HA 0.054 4.395 4.340 0.000 0.000 0.204 418 Q C 1.647 177.372 176.000 -0.460 0.000 0.933 418 Q CA 0.152 55.860 55.803 -0.157 0.000 0.939 418 Q CB 0.131 28.855 28.738 -0.023 0.000 1.044 418 Q HN 0.555 nan 8.270 nan 0.000 0.513 419 R N 0.680 120.869 120.500 -0.517 0.000 2.117 419 R HA -0.164 4.176 4.340 0.000 0.000 0.243 419 R C -0.709 175.343 176.300 -0.414 0.000 1.143 419 R CA 1.410 57.081 56.100 -0.715 0.000 0.968 419 R CB -1.158 28.997 30.300 -0.240 0.000 0.863 419 R HN 0.218 nan 8.270 nan 0.000 0.444 420 P HA -0.148 nan 4.420 nan 0.000 0.219 420 P C 0.992 178.246 177.300 -0.076 0.000 1.146 420 P CA 1.336 64.371 63.100 -0.110 0.000 0.808 420 P CB 0.029 31.686 31.700 -0.072 0.000 0.779 421 I N -5.044 115.463 120.570 -0.105 0.000 3.971 421 I HA 0.099 4.270 4.170 0.000 0.000 0.303 421 I C 1.964 178.110 176.117 0.048 0.000 1.233 421 I CA 0.241 61.532 61.300 -0.017 0.000 1.346 421 I CB -1.643 36.360 38.000 0.004 0.000 1.273 421 I HN -0.033 nan 8.210 nan 0.000 0.448 422 H N 1.151 120.226 119.070 0.009 0.000 2.571 422 H HA -0.007 4.549 4.556 0.000 0.000 0.283 422 H C 0.553 175.875 175.328 -0.011 0.000 1.075 422 H CA 0.670 56.717 56.048 -0.002 0.000 1.191 422 H CB -0.707 29.059 29.762 0.006 0.000 1.309 422 H HN 0.643 nan 8.280 nan 0.000 0.628 423 D N 0.992 121.522 120.400 0.217 0.000 2.346 423 D HA -0.042 4.599 4.640 0.000 0.000 0.206 423 D C 0.410 176.747 176.300 0.062 0.000 1.001 423 D CA -0.346 53.732 54.000 0.129 0.000 0.871 423 D CB 0.114 40.975 40.800 0.102 0.000 0.943 423 D HN 0.317 nan 8.370 nan 0.000 0.518 424 R N 1.082 121.612 120.500 0.051 0.000 2.594 424 R HA 0.071 4.411 4.340 0.000 0.000 0.272 424 R C 0.557 176.862 176.300 0.009 0.000 1.074 424 R CA -0.100 56.017 56.100 0.030 0.000 1.105 424 R CB 0.652 30.969 30.300 0.027 0.000 1.008 424 R HN -0.043 nan 8.270 nan 0.000 0.472 425 D N 1.084 121.497 120.400 0.022 0.000 2.263 425 D HA -0.160 4.481 4.640 0.000 0.000 0.208 425 D C 0.820 177.122 176.300 0.003 0.000 0.971 425 D CA 1.271 55.288 54.000 0.028 0.000 0.867 425 D CB 0.186 41.022 40.800 0.060 0.000 0.929 425 D HN 0.593 nan 8.370 nan 0.000 0.492 426 D N -0.651 119.724 120.400 -0.042 0.000 2.328 426 D HA -0.031 4.609 4.640 0.000 0.000 0.221 426 D C -0.171 175.874 176.300 -0.425 0.000 1.072 426 D CA -0.063 53.781 54.000 -0.261 0.000 0.850 426 D CB -0.053 40.720 40.800 -0.045 0.000 0.922 426 D HN 0.010 nan 8.370 nan 0.000 0.516 427 V N 1.849 121.641 119.914 -0.204 0.000 2.311 427 V HA 0.241 4.361 4.120 0.000 0.000 0.275 427 V C 0.217 176.230 176.094 -0.135 0.000 1.022 427 V CA -0.753 61.461 62.300 -0.144 0.000 0.830 427 V CB 1.211 33.021 31.823 -0.022 0.000 1.012 427 V HN 0.121 nan 8.190 nan 0.000 0.452 428 L N 4.540 125.674 121.223 -0.147 0.000 2.290 428 L HA 0.463 4.804 4.340 0.000 0.000 0.284 428 L C -0.284 176.461 176.870 -0.208 0.000 1.078 428 L CA -0.090 54.654 54.840 -0.160 0.000 0.815 428 L CB 0.977 43.038 42.059 0.003 0.000 1.162 428 L HN 0.558 nan 8.230 nan 0.000 0.435 429 C N 3.102 122.157 119.300 -0.408 0.000 2.379 429 C HA 0.626 5.087 4.460 0.000 0.000 0.323 429 C C -0.596 174.079 174.990 -0.525 0.000 1.262 429 C CA -0.837 58.001 59.018 -0.301 0.000 1.581 429 C CB 0.531 28.145 27.740 -0.211 0.000 2.221 429 C HN 0.532 nan 8.230 nan 0.000 0.497 430 Y N 1.145 121.462 120.300 0.028 0.000 2.373 430 Y HA 0.581 5.131 4.550 0.000 0.000 0.336 430 Y C 0.334 176.254 175.900 0.034 0.000 0.979 430 Y CA -0.339 57.785 58.100 0.040 0.000 1.080 430 Y CB 1.659 40.158 38.460 0.064 0.000 1.190 430 Y HN 0.613 nan 8.280 nan 0.000 0.446 431 S N 0.836 116.626 115.700 0.151 0.000 2.570 431 S HA 0.553 5.023 4.470 0.000 0.000 0.286 431 S C -0.279 174.378 174.600 0.095 0.000 1.099 431 S CA -1.060 57.196 58.200 0.094 0.000 0.913 431 S CB 1.659 64.889 63.200 0.050 0.000 1.085 431 S HN 0.697 nan 8.310 nan 0.000 0.480 432 T N 0.143 114.738 114.554 0.069 0.000 2.788 432 T HA 0.358 4.709 4.350 0.000 0.000 0.287 432 T C 0.132 174.866 174.700 0.055 0.000 1.007 432 T CA -0.727 61.419 62.100 0.076 0.000 1.005 432 T CB 0.152 69.056 68.868 0.060 0.000 1.012 432 T HN 0.483 nan 8.240 nan 0.000 0.530 433 E N 0.301 120.533 120.200 0.053 0.000 2.428 433 E HA 0.141 4.491 4.350 0.000 0.000 0.257 433 E C 0.083 176.707 176.600 0.040 0.000 1.197 433 E CA -0.294 56.130 56.400 0.041 0.000 0.974 433 E CB 0.423 30.144 29.700 0.036 0.000 0.976 433 E HN 0.486 nan 8.360 nan 0.000 0.463 434 V N 2.380 122.315 119.914 0.036 0.000 2.540 434 V HA -0.066 4.054 4.120 0.000 0.000 0.297 434 V C 0.687 176.807 176.094 0.043 0.000 1.024 434 V CA 0.291 62.615 62.300 0.041 0.000 1.105 434 V CB -0.266 31.576 31.823 0.031 0.000 0.938 434 V HN 0.344 nan 8.190 nan 0.000 0.482 435 L N 5.314 126.570 121.223 0.055 0.000 2.380 435 L HA 0.211 4.552 4.340 0.000 0.000 0.273 435 L C 1.626 178.522 176.870 0.043 0.000 1.138 435 L CA 0.011 54.880 54.840 0.049 0.000 0.832 435 L CB 1.099 43.192 42.059 0.058 0.000 1.124 435 L HN 0.910 nan 8.230 nan 0.000 0.454 436 T N -2.354 112.218 114.554 0.031 0.000 2.976 436 T HA 0.078 4.429 4.350 0.000 0.000 0.257 436 T C 0.311 175.022 174.700 0.020 0.000 1.051 436 T CA 0.083 62.198 62.100 0.024 0.000 1.141 436 T CB -0.006 68.873 68.868 0.018 0.000 0.881 436 T HN 0.520 nan 8.240 nan 0.000 0.461 437 D N 2.376 122.787 120.400 0.018 0.000 2.269 437 D HA 0.475 5.115 4.640 0.000 0.000 0.244 437 D C -2.731 173.575 176.300 0.011 0.000 0.992 437 D CA -1.986 52.020 54.000 0.011 0.000 0.894 437 D CB 1.580 42.386 40.800 0.009 0.000 1.248 437 D HN 0.100 nan 8.370 nan 0.000 0.468 438 P HA 0.092 nan 4.420 nan 0.000 0.271 438 P C -0.879 176.428 177.300 0.013 0.000 1.218 438 P CA -0.285 62.810 63.100 -0.008 0.000 0.780 438 P CB 0.770 32.450 31.700 -0.035 0.000 0.901 439 V N 2.479 122.419 119.914 0.043 0.000 2.443 439 V HA 0.249 4.369 4.120 0.000 0.000 0.293 439 V C 0.245 176.397 176.094 0.096 0.000 1.021 439 V CA -0.580 61.751 62.300 0.052 0.000 0.848 439 V CB 1.403 33.236 31.823 0.018 0.000 0.998 439 V HN 0.573 nan 8.190 nan 0.000 0.424 440 E N 3.901 124.119 120.200 0.031 0.000 2.200 440 E HA 0.560 4.910 4.350 0.000 0.000 0.283 440 E C -1.408 175.191 176.600 -0.001 0.000 1.015 440 E CA -0.427 55.974 56.400 0.002 0.000 0.819 440 E CB 1.732 31.401 29.700 -0.051 0.000 1.081 440 E HN 0.481 nan 8.360 nan 0.000 0.397 441 V N 4.774 124.696 119.914 0.014 0.000 2.326 441 V HA 0.305 4.425 4.120 0.000 0.000 0.281 441 V C -0.595 175.432 176.094 -0.112 0.000 1.015 441 V CA -0.517 61.769 62.300 -0.024 0.000 0.823 441 V CB 1.561 33.441 31.823 0.095 0.000 1.009 441 V HN 0.719 nan 8.190 nan 0.000 0.436 442 T N 3.743 118.220 114.554 -0.129 0.000 2.965 442 T HA 0.798 5.149 4.350 0.000 0.000 0.306 442 T C 0.221 174.840 174.700 -0.135 0.000 0.991 442 T CA 0.049 62.078 62.100 -0.117 0.000 1.001 442 T CB 1.421 70.250 68.868 -0.064 0.000 0.984 442 T HN 1.180 nan 8.240 nan 0.000 0.446 443 G N 2.039 110.821 108.800 -0.030 0.000 2.352 443 G HA2 0.374 4.335 3.960 0.000 0.000 0.283 443 G HA3 0.374 4.335 3.960 0.000 0.000 0.283 443 G C -0.440 174.554 174.900 0.157 0.000 1.308 443 G CA -0.323 44.660 45.100 -0.195 0.000 0.892 443 G HN 0.830 nan 8.290 nan 0.000 0.504 444 T N -1.687 112.965 114.554 0.164 0.000 2.918 444 T HA 0.594 4.944 4.350 0.000 0.000 0.302 444 T C 0.001 174.810 174.700 0.181 0.000 1.045 444 T CA -0.287 61.962 62.100 0.247 0.000 1.114 444 T CB 1.570 70.578 68.868 0.233 0.000 0.965 444 T HN 1.260 nan 8.240 nan 0.000 0.540 445 V N 2.727 122.724 119.914 0.138 0.000 2.656 445 V HA 0.800 4.920 4.120 0.000 0.000 0.307 445 V C 0.028 176.166 176.094 0.072 0.000 1.051 445 V CA -0.747 61.610 62.300 0.095 0.000 0.893 445 V CB 1.803 33.663 31.823 0.061 0.000 0.999 445 V HN 1.344 nan 8.190 nan 0.000 0.426 446 S N 2.631 118.363 115.700 0.053 0.000 2.607 446 S HA 0.961 5.432 4.470 0.000 0.000 0.273 446 S C -0.787 173.802 174.600 -0.018 0.000 1.148 446 S CA -0.302 57.907 58.200 0.015 0.000 0.833 446 S CB 2.202 65.402 63.200 0.001 0.000 1.130 446 S HN 1.540 nan 8.310 nan 0.000 0.470 447 A N 1.376 124.161 122.820 -0.060 0.000 2.374 447 A HA 0.896 5.217 4.320 0.000 0.000 0.317 447 A C -0.706 176.746 177.584 -0.219 0.000 1.094 447 A CA -0.959 50.999 52.037 -0.132 0.000 0.765 447 A CB 1.224 20.173 19.000 -0.085 0.000 1.268 447 A HN 0.689 nan 8.150 nan 0.000 0.438 448 R N 1.908 122.159 120.500 -0.415 0.000 2.388 448 R HA 0.496 4.837 4.340 0.000 0.000 0.314 448 R C -1.538 174.541 176.300 -0.367 0.000 0.959 448 R CA -0.199 55.642 56.100 -0.431 0.000 0.851 448 R CB 0.961 30.938 30.300 -0.538 0.000 1.168 448 R HN 0.675 nan 8.270 nan 0.000 0.472 449 L N 3.261 124.306 121.223 -0.296 0.000 2.346 449 L HA 0.569 4.909 4.340 0.000 0.000 0.274 449 L C -0.507 176.188 176.870 -0.291 0.000 1.007 449 L CA -0.950 53.773 54.840 -0.195 0.000 0.818 449 L CB 1.410 43.360 42.059 -0.182 0.000 1.284 449 L HN 0.320 nan 8.230 nan 0.000 0.424 450 F N 2.739 122.668 119.950 -0.035 0.000 2.391 450 F HA 0.489 5.017 4.527 0.000 0.000 0.359 450 F C 0.287 176.083 175.800 -0.008 0.000 1.122 450 F CA -0.645 57.356 58.000 0.001 0.000 1.120 450 F CB 1.533 40.587 39.000 0.090 0.000 1.142 450 F HN 0.125 nan 8.300 nan 0.000 0.483 451 V N 0.346 120.285 119.914 0.043 0.000 2.962 451 V HA 0.964 5.084 4.120 0.000 0.000 0.313 451 V C -0.599 175.581 176.094 0.143 0.000 1.099 451 V CA -0.831 61.424 62.300 -0.075 0.000 0.971 451 V CB 1.700 33.032 31.823 -0.818 0.000 1.028 451 V HN 0.690 nan 8.190 nan 0.000 0.430 452 S N 1.320 117.167 115.700 0.246 0.000 2.618 452 S HA 0.891 5.361 4.470 0.000 0.000 0.277 452 S C -0.642 174.137 174.600 0.299 0.000 1.138 452 S CA -0.271 58.106 58.200 0.295 0.000 0.844 452 S CB 1.730 65.105 63.200 0.292 0.000 1.127 452 S HN 1.858 nan 8.310 nan 0.000 0.474 453 S N -0.183 115.663 115.700 0.243 0.000 2.556 453 S HA 0.561 5.031 4.470 0.000 0.000 0.271 453 S C 0.686 175.351 174.600 0.108 0.000 1.135 453 S CA -0.017 58.287 58.200 0.173 0.000 0.858 453 S CB 1.566 64.871 63.200 0.174 0.000 1.114 453 S HN 1.364 nan 8.310 nan 0.000 0.468 454 S N 1.984 117.721 115.700 0.062 0.000 2.522 454 S HA 0.357 4.827 4.470 0.000 0.000 0.227 454 S C 0.746 175.367 174.600 0.035 0.000 0.986 454 S CA 0.306 58.531 58.200 0.042 0.000 0.929 454 S CB -0.280 62.931 63.200 0.019 0.000 0.769 454 S HN 1.006 nan 8.310 nan 0.000 0.529 455 A N 1.251 124.093 122.820 0.037 0.000 2.281 455 A HA 0.697 5.017 4.320 0.000 0.000 0.329 455 A C 1.035 178.635 177.584 0.025 0.000 1.122 455 A CA -0.289 51.761 52.037 0.021 0.000 0.850 455 A CB 1.176 20.183 19.000 0.010 0.000 1.207 455 A HN 0.810 nan 8.150 nan 0.000 0.495 456 V N -2.197 117.722 119.914 0.007 0.000 3.541 456 V HA 0.273 4.394 4.120 0.000 0.000 0.267 456 V C 0.125 176.198 176.094 -0.035 0.000 1.213 456 V CA 1.478 63.775 62.300 -0.005 0.000 1.149 456 V CB -0.935 30.883 31.823 -0.008 0.000 0.822 456 V HN 0.786 nan 8.190 nan 0.000 0.462 457 D N -1.765 118.618 120.400 -0.029 0.000 2.717 457 D HA 0.626 5.266 4.640 0.000 0.000 0.223 457 D C -0.746 175.541 176.300 -0.020 0.000 1.240 457 D CA 0.270 54.244 54.000 -0.045 0.000 0.801 457 D CB 2.375 43.140 40.800 -0.059 0.000 1.556 457 D HN 0.183 nan 8.370 nan 0.000 0.462 458 T N 0.724 115.255 114.554 -0.038 0.000 2.658 458 T HA 0.427 4.777 4.350 0.000 0.000 0.305 458 T C -1.950 172.658 174.700 -0.152 0.000 1.551 458 T CA -0.574 61.483 62.100 -0.072 0.000 0.985 458 T CB 1.005 69.797 68.868 -0.127 0.000 1.731 458 T HN 0.289 nan 8.240 nan 0.000 0.486 459 D N 0.191 120.411 120.400 -0.299 0.000 2.340 459 D HA 0.692 5.332 4.640 0.000 0.000 0.240 459 D C -1.140 174.801 176.300 -0.598 0.000 1.001 459 D CA -0.020 53.806 54.000 -0.290 0.000 0.888 459 D CB 1.145 41.812 40.800 -0.222 0.000 1.310 459 D HN 0.314 nan 8.370 nan 0.000 0.474 460 F N 0.040 119.976 119.950 -0.023 0.000 2.540 460 F HA 0.427 4.954 4.527 0.000 0.000 0.317 460 F C 0.613 176.407 175.800 -0.010 0.000 1.104 460 F CA -0.689 57.318 58.000 0.012 0.000 0.913 460 F CB 2.151 41.177 39.000 0.043 0.000 1.170 460 F HN 0.070 nan 8.300 nan 0.000 0.450 461 T N -0.094 114.570 114.554 0.183 0.000 2.908 461 T HA 0.936 5.286 4.350 0.000 0.000 0.290 461 T C -0.913 173.869 174.700 0.138 0.000 1.034 461 T CA -0.922 61.247 62.100 0.114 0.000 1.010 461 T CB 1.956 70.872 68.868 0.080 0.000 1.068 461 T HN 0.907 nan 8.240 nan 0.000 0.481 462 A N 1.772 124.659 122.820 0.111 0.000 2.427 462 A HA 0.779 5.100 4.320 0.000 0.000 0.298 462 A C -0.729 176.919 177.584 0.107 0.000 1.036 462 A CA -0.950 51.151 52.037 0.107 0.000 0.701 462 A CB 1.624 20.669 19.000 0.075 0.000 1.250 462 A HN 0.965 nan 8.150 nan 0.000 0.412 463 K N 2.110 122.580 120.400 0.117 0.000 2.378 463 K HA 0.633 4.953 4.320 0.000 0.000 0.252 463 K C -1.733 174.941 176.600 0.123 0.000 0.931 463 K CA -0.714 55.647 56.287 0.123 0.000 0.794 463 K CB 1.685 34.264 32.500 0.131 0.000 1.181 463 K HN 0.622 nan 8.250 nan 0.000 0.425 464 L N 4.545 125.841 121.223 0.122 0.000 2.307 464 L HA 0.509 4.849 4.340 0.000 0.000 0.282 464 L C -1.413 175.569 176.870 0.188 0.000 1.051 464 L CA -0.223 54.698 54.840 0.135 0.000 0.804 464 L CB 1.635 43.763 42.059 0.115 0.000 1.197 464 L HN 0.408 nan 8.230 nan 0.000 0.431 465 V N 3.646 123.698 119.914 0.230 0.000 2.841 465 V HA 0.390 4.510 4.120 0.000 0.000 0.310 465 V C -1.189 175.143 176.094 0.396 0.000 1.090 465 V CA -0.824 61.635 62.300 0.266 0.000 0.930 465 V CB 1.991 33.947 31.823 0.223 0.000 1.014 465 V HN 0.719 nan 8.190 nan 0.000 0.425 466 D N 3.035 123.675 120.400 0.400 0.000 2.373 466 D HA 0.374 5.014 4.640 0.000 0.000 0.227 466 D C -0.611 175.977 176.300 0.480 0.000 1.091 466 D CA -0.110 54.180 54.000 0.483 0.000 0.840 466 D CB 1.779 42.716 40.800 0.227 0.000 1.060 466 D HN 0.248 nan 8.370 nan 0.000 0.502 467 V N 5.338 125.483 119.914 0.384 0.000 2.408 467 V HA 0.232 4.352 4.120 0.000 0.000 0.267 467 V C 0.423 176.616 176.094 0.166 0.000 1.047 467 V CA -0.535 61.937 62.300 0.287 0.000 0.937 467 V CB -0.011 31.918 31.823 0.177 0.000 0.999 467 V HN 0.353 nan 8.190 nan 0.000 0.472 468 F N 6.633 126.517 119.950 -0.110 0.000 2.380 468 F HA 0.360 4.887 4.527 0.000 0.000 0.325 468 F C -0.948 174.679 175.800 -0.288 0.000 1.136 468 F CA -1.885 55.881 58.000 -0.390 0.000 1.171 468 F CB 0.617 39.499 39.000 -0.197 0.000 1.230 468 F HN 0.344 nan 8.300 nan 0.000 0.554 469 P HA -0.212 nan 4.420 nan 0.000 0.217 469 P C 0.795 178.098 177.300 0.004 0.000 1.151 469 P CA 1.853 64.904 63.100 -0.080 0.000 0.849 469 P CB -0.017 31.641 31.700 -0.070 0.000 0.787 470 D N -2.515 117.911 120.400 0.044 0.000 2.347 470 D HA 0.047 4.687 4.640 0.000 0.000 0.215 470 D C 1.482 177.802 176.300 0.034 0.000 0.976 470 D CA 1.161 55.181 54.000 0.034 0.000 0.884 470 D CB -0.773 40.043 40.800 0.027 0.000 0.915 470 D HN 0.275 nan 8.370 nan 0.000 0.526 471 G N -0.342 108.491 108.800 0.056 0.000 2.284 471 G HA2 -0.261 3.699 3.960 0.000 0.000 0.201 471 G HA3 -0.261 3.699 3.960 0.000 0.000 0.201 471 G C 0.250 175.195 174.900 0.076 0.000 0.998 471 G CA -0.302 44.837 45.100 0.065 0.000 0.651 471 G HN 0.359 nan 8.290 nan 0.000 0.489 472 R N 1.036 121.556 120.500 0.033 0.000 2.537 472 R HA 0.394 4.734 4.340 0.000 0.000 0.281 472 R C 0.521 176.866 176.300 0.075 0.000 0.988 472 R CA 0.859 56.940 56.100 -0.031 0.000 1.077 472 R CB 0.465 30.625 30.300 -0.233 0.000 0.932 472 R HN 0.598 nan 8.270 nan 0.000 0.409 473 A N 5.969 128.833 122.820 0.073 0.000 2.511 473 A HA 0.283 4.603 4.320 0.000 0.000 0.340 473 A C -0.262 177.390 177.584 0.113 0.000 1.396 473 A CA -0.674 51.461 52.037 0.163 0.000 0.887 473 A CB 0.332 19.475 19.000 0.240 0.000 1.145 473 A HN 0.478 nan 8.150 nan 0.000 0.497 474 I N 2.493 123.156 120.570 0.154 0.000 2.352 474 I HA 0.272 4.442 4.170 0.000 0.000 0.290 474 I C 1.065 177.286 176.117 0.174 0.000 1.036 474 I CA -0.172 61.186 61.300 0.096 0.000 1.336 474 I CB 0.632 38.667 38.000 0.058 0.000 1.407 474 I HN 0.654 nan 8.210 nan 0.000 0.497 475 A N 7.413 130.319 122.820 0.143 0.000 2.520 475 A HA 0.369 4.689 4.320 0.000 0.000 0.245 475 A C 0.642 178.421 177.584 0.326 0.000 1.072 475 A CA 0.153 52.314 52.037 0.206 0.000 0.761 475 A CB 0.398 19.504 19.000 0.177 0.000 1.004 475 A HN 0.792 nan 8.150 nan 0.000 0.499 476 L N 1.875 123.255 121.223 0.262 0.000 2.578 476 L HA 0.257 4.597 4.340 0.000 0.000 0.193 476 L C 1.022 177.967 176.870 0.125 0.000 1.422 476 L CA -0.073 54.880 54.840 0.188 0.000 2.947 476 L CB -0.498 41.598 42.059 0.062 0.000 2.780 476 L HN 0.935 nan 8.230 nan 0.000 1.031 477 C N -0.654 118.677 119.300 0.053 0.000 2.325 477 C HA 0.719 5.180 4.460 0.000 0.000 0.370 477 C C -0.701 174.351 174.990 0.103 0.000 1.217 477 C CA -0.702 58.350 59.018 0.057 0.000 2.254 477 C CB 0.999 28.755 27.740 0.027 0.000 2.282 477 C HN 0.729 nan 8.230 nan 0.000 0.564 478 D N -0.247 120.221 120.400 0.112 0.000 2.622 478 D HA 0.619 5.259 4.640 0.000 0.000 0.255 478 D C -0.668 175.715 176.300 0.138 0.000 1.246 478 D CA -0.061 54.016 54.000 0.128 0.000 0.795 478 D CB 1.531 42.422 40.800 0.152 0.000 1.369 478 D HN 1.091 nan 8.370 nan 0.000 0.425 479 G N -0.637 108.239 108.800 0.126 0.000 2.721 479 G HA2 0.613 4.574 3.960 0.000 0.000 0.296 479 G HA3 0.613 4.574 3.960 0.000 0.000 0.296 479 G C -1.774 173.144 174.900 0.030 0.000 1.383 479 G CA -0.799 44.356 45.100 0.093 0.000 0.788 479 G HN 0.652 nan 8.290 nan 0.000 0.500 480 I N -0.701 119.802 120.570 -0.111 0.000 2.802 480 I HA 0.703 4.874 4.170 0.000 0.000 0.298 480 I C -1.490 174.552 176.117 -0.125 0.000 1.176 480 I CA -1.178 60.017 61.300 -0.174 0.000 1.025 480 I CB 2.365 40.067 38.000 -0.497 0.000 1.243 480 I HN 0.503 nan 8.210 nan 0.000 0.424 481 V N 7.133 127.028 119.914 -0.032 0.000 2.531 481 V HA 0.555 4.676 4.120 0.000 0.000 0.301 481 V C -0.624 175.494 176.094 0.040 0.000 1.034 481 V CA -0.541 61.767 62.300 0.013 0.000 0.865 481 V CB 1.798 33.653 31.823 0.053 0.000 0.995 481 V HN 0.816 nan 8.190 nan 0.000 0.424 482 R N 6.333 126.874 120.500 0.069 0.000 2.234 482 R HA 0.333 4.673 4.340 0.000 0.000 0.324 482 R C 1.117 177.468 176.300 0.086 0.000 1.054 482 R CA -0.543 55.620 56.100 0.105 0.000 0.912 482 R CB 1.008 31.456 30.300 0.246 0.000 1.030 482 R HN 0.774 nan 8.270 nan 0.000 0.455 483 M N 4.023 123.632 119.600 0.016 0.000 2.202 483 M HA -0.185 4.295 4.480 0.000 0.000 0.262 483 M C 1.843 178.064 176.300 -0.132 0.000 1.063 483 M CA 1.743 57.021 55.300 -0.036 0.000 1.097 483 M CB -0.777 31.797 32.600 -0.043 0.000 1.382 483 M HN 0.651 nan 8.290 nan 0.000 0.413 484 R N -0.592 119.782 120.500 -0.210 0.000 2.193 484 R HA -0.171 4.169 4.340 0.000 0.000 0.229 484 R C 0.654 176.717 176.300 -0.395 0.000 1.110 484 R CA 1.453 57.339 56.100 -0.358 0.000 0.988 484 R CB -0.690 29.307 30.300 -0.504 0.000 0.871 484 R HN 0.310 nan 8.270 nan 0.000 0.458 485 Y N 1.757 122.036 120.300 -0.034 0.000 2.571 485 Y HA 0.277 4.827 4.550 0.001 0.000 0.275 485 Y C 1.786 177.663 175.900 -0.038 0.000 1.179 485 Y CA -0.836 57.245 58.100 -0.032 0.000 1.242 485 Y CB 0.077 38.529 38.460 -0.013 0.000 1.126 485 Y HN 0.106 nan 8.280 nan 0.000 0.524 486 R N 0.046 120.572 120.500 0.043 0.000 2.127 486 R HA -0.141 4.199 4.340 0.000 0.000 0.238 486 R C 0.728 177.037 176.300 0.015 0.000 1.134 486 R CA 1.820 57.928 56.100 0.014 0.000 0.975 486 R CB -0.112 30.161 30.300 -0.044 0.000 0.865 486 R HN 0.225 nan 8.270 nan 0.000 0.447 487 E N 0.295 120.505 120.200 0.017 0.000 2.290 487 E HA 0.053 4.403 4.350 0.000 0.000 0.197 487 E C 0.360 176.973 176.600 0.022 0.000 0.948 487 E CA 0.781 57.190 56.400 0.015 0.000 0.895 487 E CB 0.765 30.472 29.700 0.012 0.000 0.865 487 E HN 0.279 nan 8.360 nan 0.000 0.486 488 T N -0.484 114.100 114.554 0.049 0.000 2.982 488 T HA 0.363 4.713 4.350 0.000 0.000 0.321 488 T C 0.192 174.964 174.700 0.120 0.000 1.229 488 T CA -0.539 61.589 62.100 0.046 0.000 1.044 488 T CB 0.776 69.660 68.868 0.027 0.000 1.184 488 T HN -0.093 nan 8.240 nan 0.000 0.477 489 L N 3.856 125.085 121.223 0.010 0.000 2.492 489 L HA 0.143 4.483 4.340 0.000 0.000 0.223 489 L C 1.928 178.736 176.870 -0.103 0.000 1.132 489 L CA 0.335 55.105 54.840 -0.117 0.000 0.850 489 L CB -0.059 41.795 42.059 -0.342 0.000 0.966 489 L HN 0.520 nan 8.230 nan 0.000 0.454 490 V N -1.536 118.361 119.914 -0.028 0.000 2.672 490 V HA 0.067 4.187 4.120 0.000 0.000 0.242 490 V C 0.587 176.708 176.094 0.045 0.000 1.059 490 V CA 0.765 63.046 62.300 -0.032 0.000 1.081 490 V CB -0.049 31.745 31.823 -0.049 0.000 0.752 490 V HN 0.407 nan 8.190 nan 0.000 0.472 491 N N 1.343 120.076 118.700 0.055 0.000 2.844 491 N HA 0.300 5.041 4.740 0.000 0.000 0.268 491 N C -2.816 172.706 175.510 0.019 0.000 1.574 491 N CA -0.861 52.210 53.050 0.036 0.000 0.838 491 N CB 1.154 39.651 38.487 0.016 0.000 1.177 491 N HN 0.353 nan 8.380 nan 0.000 0.495 492 P HA 0.090 nan 4.420 nan 0.000 0.269 492 P C -0.042 177.183 177.300 -0.126 0.000 1.215 492 P CA 0.164 63.177 63.100 -0.144 0.000 0.780 492 P CB 0.870 32.309 31.700 -0.435 0.000 0.898 493 T N -0.762 113.708 114.554 -0.140 0.000 2.903 493 T HA 0.594 4.944 4.350 0.000 0.000 0.299 493 T C 0.108 174.729 174.700 -0.132 0.000 1.093 493 T CA -0.961 61.077 62.100 -0.102 0.000 1.002 493 T CB 0.772 69.608 68.868 -0.054 0.000 1.127 493 T HN 0.147 nan 8.240 nan 0.000 0.488 494 L N 1.941 123.105 121.223 -0.099 0.000 2.468 494 L HA 0.595 4.935 4.340 0.000 0.000 0.254 494 L C 0.623 177.435 176.870 -0.096 0.000 1.171 494 L CA -1.220 53.560 54.840 -0.101 0.000 0.809 494 L CB 0.466 42.487 42.059 -0.065 0.000 1.155 494 L HN 0.724 nan 8.230 nan 0.000 0.473 495 I N -2.257 118.244 120.570 -0.115 0.000 2.793 495 I HA 0.424 4.594 4.170 0.000 0.000 0.313 495 I C -0.472 175.682 176.117 0.061 0.000 0.998 495 I CA -0.872 60.361 61.300 -0.112 0.000 1.140 495 I CB 1.425 39.181 38.000 -0.406 0.000 1.327 495 I HN 0.395 nan 8.210 nan 0.000 0.491 496 E N 2.922 123.257 120.200 0.225 0.000 2.200 496 E HA 0.376 4.726 4.350 0.000 0.000 0.283 496 E C -0.240 176.467 176.600 0.179 0.000 1.015 496 E CA -0.525 55.979 56.400 0.174 0.000 0.819 496 E CB 1.673 31.469 29.700 0.160 0.000 1.081 496 E HN 0.767 nan 8.360 nan 0.000 0.397 497 A N 1.908 124.793 122.820 0.107 0.000 2.546 497 A HA 0.362 4.682 4.320 0.000 0.000 0.243 497 A C 1.396 179.037 177.584 0.096 0.000 1.063 497 A CA 0.941 53.036 52.037 0.097 0.000 0.757 497 A CB -0.360 18.675 19.000 0.059 0.000 0.991 497 A HN 0.836 nan 8.150 nan 0.000 0.503 498 G N 1.333 110.199 108.800 0.110 0.000 2.253 498 G HA2 -0.194 3.766 3.960 0.000 0.000 0.251 498 G HA3 -0.194 3.766 3.960 0.000 0.000 0.251 498 G C 0.133 175.070 174.900 0.062 0.000 0.998 498 G CA 0.388 45.539 45.100 0.085 0.000 0.621 498 G HN 0.809 nan 8.290 nan 0.000 0.524 499 E N 0.421 120.662 120.200 0.069 0.000 2.331 499 E HA 0.508 4.858 4.350 0.000 0.000 0.272 499 E C 0.720 177.245 176.600 -0.125 0.000 1.036 499 E CA -0.457 55.900 56.400 -0.071 0.000 0.864 499 E CB 1.080 30.688 29.700 -0.153 0.000 1.035 499 E HN 0.460 nan 8.360 nan 0.000 0.408 500 I N 3.098 123.510 120.570 -0.264 0.000 2.371 500 I HA 0.120 4.290 4.170 0.000 0.000 0.290 500 I C -0.372 175.544 176.117 -0.336 0.000 1.028 500 I CA -0.281 60.874 61.300 -0.242 0.000 1.345 500 I CB 0.239 38.025 38.000 -0.357 0.000 1.407 500 I HN 0.293 nan 8.210 nan 0.000 0.501 501 Y N 4.076 124.364 120.300 -0.020 0.000 2.429 501 Y HA 0.327 4.877 4.550 0.000 0.000 0.342 501 Y C 0.193 176.005 175.900 -0.147 0.000 1.004 501 Y CA -0.803 57.271 58.100 -0.044 0.000 1.075 501 Y CB 1.540 39.976 38.460 -0.041 0.000 1.214 501 Y HN 0.476 nan 8.280 nan 0.000 0.455 502 E N 3.453 123.585 120.200 -0.113 0.000 2.130 502 E HA 0.486 4.836 4.350 0.000 0.000 0.284 502 E C -1.348 175.098 176.600 -0.256 0.000 1.018 502 E CA -0.593 55.512 56.400 -0.492 0.000 0.817 502 E CB 0.796 30.070 29.700 -0.709 0.000 1.078 502 E HN 0.540 nan 8.360 nan 0.000 0.396 503 V N 0.976 120.731 119.914 -0.265 0.000 2.769 503 V HA 0.885 5.005 4.120 0.000 0.000 0.312 503 V C -0.361 175.635 176.094 -0.164 0.000 1.061 503 V CA -0.970 61.240 62.300 -0.151 0.000 0.931 503 V CB 1.524 33.295 31.823 -0.087 0.000 1.010 503 V HN 0.677 nan 8.190 nan 0.000 0.433 504 A N 4.448 127.205 122.820 -0.106 0.000 2.301 504 A HA 0.878 5.198 4.320 0.000 0.000 0.312 504 A C -0.437 177.112 177.584 -0.057 0.000 1.182 504 A CA -0.678 51.303 52.037 -0.094 0.000 0.826 504 A CB 0.451 19.408 19.000 -0.073 0.000 1.134 504 A HN 0.910 nan 8.150 nan 0.000 0.501 505 I N 2.177 122.714 120.570 -0.054 0.000 2.389 505 I HA 0.193 4.363 4.170 0.000 0.000 0.288 505 I C -0.641 175.466 176.117 -0.016 0.000 0.999 505 I CA -0.615 60.672 61.300 -0.023 0.000 1.129 505 I CB 1.780 39.779 38.000 -0.002 0.000 1.288 505 I HN 0.604 nan 8.210 nan 0.000 0.444 506 D N 7.654 128.047 120.400 -0.011 0.000 2.336 506 D HA 0.209 4.850 4.640 0.000 0.000 0.249 506 D C 0.103 176.420 176.300 0.027 0.000 1.213 506 D CA 0.040 54.043 54.000 0.005 0.000 0.870 506 D CB 1.047 41.844 40.800 -0.005 0.000 1.076 506 D HN 0.456 nan 8.370 nan 0.000 0.483 507 M N 4.730 124.357 119.600 0.045 0.000 2.655 507 M HA 0.167 4.648 4.480 0.000 0.000 0.311 507 M C 0.820 177.169 176.300 0.082 0.000 1.229 507 M CA -0.359 54.980 55.300 0.064 0.000 0.972 507 M CB 0.021 32.656 32.600 0.059 0.000 1.366 507 M HN 0.406 nan 8.290 nan 0.000 0.500 508 L N -0.811 120.465 121.223 0.088 0.000 6.079 508 L HA -0.354 3.987 4.340 0.000 0.000 0.053 508 L C 0.209 177.180 176.870 0.168 0.000 2.483 508 L CA 1.191 56.101 54.840 0.117 0.000 1.581 508 L CB -1.540 40.581 42.059 0.104 0.000 2.843 508 L HN 0.449 nan 8.230 nan 0.000 1.020 509 A N -1.396 121.538 122.820 0.191 0.000 2.610 509 A HA 0.805 5.126 4.320 0.000 0.000 0.291 509 A C -0.720 176.929 177.584 0.109 0.000 1.086 509 A CA 0.508 52.702 52.037 0.261 0.000 0.677 509 A CB 2.180 21.495 19.000 0.526 0.000 1.278 509 A HN 0.598 nan 8.150 nan 0.000 0.414 510 T N -0.659 113.812 114.554 -0.138 0.000 2.762 510 T HA 0.689 5.039 4.350 0.000 0.000 0.301 510 T C -1.524 172.509 174.700 -1.111 0.000 1.299 510 T CA 0.248 61.895 62.100 -0.754 0.000 1.005 510 T CB 1.615 70.209 68.868 -0.457 0.000 1.377 510 T HN 1.688 nan 8.240 nan 0.000 0.504 511 S N 2.007 116.766 115.700 -1.568 0.000 2.789 511 S HA 0.669 5.139 4.470 0.000 0.000 0.286 511 S C -1.493 172.708 174.600 -0.665 0.000 1.153 511 S CA -0.626 57.047 58.200 -0.879 0.000 1.084 511 S CB 0.171 62.973 63.200 -0.663 0.000 1.036 511 S HN 0.715 nan 8.310 nan 0.000 0.484 512 N N 2.934 121.363 118.700 -0.451 0.000 2.369 512 N HA 0.437 5.177 4.740 0.000 0.000 0.287 512 N C -1.658 173.628 175.510 -0.374 0.000 1.067 512 N CA -0.444 52.331 53.050 -0.458 0.000 0.888 512 N CB 1.869 39.983 38.487 -0.621 0.000 1.616 512 N HN 0.302 nan 8.380 nan 0.000 0.482 513 V N 3.946 123.655 119.914 -0.343 0.000 2.385 513 V HA 0.393 4.514 4.120 0.000 0.000 0.269 513 V C -0.378 175.498 176.094 -0.364 0.000 1.043 513 V CA -0.406 61.749 62.300 -0.241 0.000 0.906 513 V CB -0.264 31.444 31.823 -0.191 0.000 0.995 513 V HN 0.520 nan 8.190 nan 0.000 0.467 514 F N 5.673 125.480 119.950 -0.239 0.000 2.466 514 F HA 0.365 4.892 4.527 0.000 0.000 0.363 514 F C 0.550 176.149 175.800 -0.335 0.000 1.109 514 F CA -0.078 57.742 58.000 -0.300 0.000 1.161 514 F CB 0.107 39.010 39.000 -0.162 0.000 1.117 514 F HN 0.269 nan 8.300 nan 0.000 0.539 515 L N 5.222 126.145 121.223 -0.500 0.000 2.456 515 L HA 0.372 4.712 4.340 0.000 0.000 0.257 515 L C -2.047 174.775 176.870 -0.080 0.000 1.162 515 L CA -2.154 52.490 54.840 -0.326 0.000 0.808 515 L CB 0.401 42.199 42.059 -0.436 0.000 1.136 515 L HN 0.296 nan 8.230 nan 0.000 0.466 516 P HA 0.020 nan 4.420 nan 0.000 0.264 516 P C 0.596 177.972 177.300 0.127 0.000 1.183 516 P CA 0.893 64.025 63.100 0.053 0.000 0.763 516 P CB 0.581 32.297 31.700 0.028 0.000 0.807 517 G N 0.704 109.568 108.800 0.107 0.000 2.217 517 G HA2 -0.200 3.761 3.960 0.000 0.000 0.246 517 G HA3 -0.200 3.761 3.960 0.000 0.000 0.246 517 G C 0.239 175.169 174.900 0.050 0.000 0.990 517 G CA -0.265 44.880 45.100 0.076 0.000 0.627 517 G HN 0.657 nan 8.290 nan 0.000 0.522 518 H N 0.190 119.240 119.070 -0.033 0.000 2.517 518 H HA 0.645 5.201 4.556 0.001 0.000 0.346 518 H C 0.449 175.800 175.328 0.038 0.000 1.222 518 H CA -0.345 55.692 56.048 -0.019 0.000 1.314 518 H CB 0.950 30.675 29.762 -0.062 0.000 1.609 518 H HN 0.228 nan 8.280 nan 0.000 0.571 519 R N 0.673 121.286 120.500 0.189 0.000 2.803 519 R HA 0.420 4.760 4.340 0.000 0.000 0.276 519 R C -0.531 175.833 176.300 0.107 0.000 0.978 519 R CA -0.850 55.317 56.100 0.112 0.000 0.939 519 R CB 1.849 32.195 30.300 0.077 0.000 1.179 519 R HN 0.403 nan 8.270 nan 0.000 0.472 520 I N 2.944 123.431 120.570 -0.139 0.000 2.371 520 I HA 0.282 4.452 4.170 0.000 0.000 0.290 520 I C 0.143 176.201 176.117 -0.099 0.000 1.028 520 I CA -0.002 61.071 61.300 -0.378 0.000 1.345 520 I CB 1.041 38.553 38.000 -0.812 0.000 1.407 520 I HN 0.416 nan 8.210 nan 0.000 0.501 521 M N 7.595 127.207 119.600 0.020 0.000 2.530 521 M HA 0.658 5.138 4.480 0.000 0.000 0.307 521 M C -2.047 174.312 176.300 0.099 0.000 1.161 521 M CA -0.656 54.692 55.300 0.080 0.000 0.903 521 M CB 2.527 35.198 32.600 0.118 0.000 1.711 521 M HN 0.388 nan 8.290 nan 0.000 0.451 522 V N 4.152 124.149 119.914 0.139 0.000 2.604 522 V HA 0.501 4.621 4.120 0.000 0.000 0.305 522 V C -1.264 174.963 176.094 0.222 0.000 1.043 522 V CA -0.303 62.094 62.300 0.162 0.000 0.888 522 V CB 2.393 34.292 31.823 0.125 0.000 0.995 522 V HN 1.008 nan 8.190 nan 0.000 0.429 523 Q N 4.051 123.958 119.800 0.179 0.000 2.293 523 Q HA 0.682 5.022 4.340 0.000 0.000 0.261 523 Q C -1.279 174.823 176.000 0.170 0.000 0.960 523 Q CA -0.545 55.354 55.803 0.160 0.000 0.882 523 Q CB 2.388 31.202 28.738 0.127 0.000 1.275 523 Q HN 0.640 nan 8.270 nan 0.000 0.445 524 V N 1.580 121.609 119.914 0.192 0.000 2.555 524 V HA 0.668 4.788 4.120 0.000 0.000 0.302 524 V C -0.313 175.828 176.094 0.078 0.000 1.038 524 V CA -0.271 62.146 62.300 0.196 0.000 0.887 524 V CB 1.766 33.776 31.823 0.312 0.000 0.991 524 V HN 0.819 nan 8.190 nan 0.000 0.434 525 S N 2.411 118.160 115.700 0.082 0.000 2.929 525 S HA 0.540 5.010 4.470 0.000 0.000 0.311 525 S C 0.150 174.780 174.600 0.051 0.000 1.213 525 S CA 0.120 58.270 58.200 -0.082 0.000 0.908 525 S CB 2.024 65.145 63.200 -0.132 0.000 1.287 525 S HN 0.583 nan 8.310 nan 0.000 0.594 526 S N 0.624 116.248 115.700 -0.127 0.000 2.900 526 S HA 0.453 4.924 4.470 0.000 0.000 0.253 526 S C -0.816 173.396 174.600 -0.645 0.000 1.029 526 S CA 0.054 58.014 58.200 -0.401 0.000 1.096 526 S CB 0.423 63.329 63.200 -0.490 0.000 1.067 526 S HN 0.881 nan 8.310 nan 0.000 0.610 527 S N 1.361 116.855 115.700 -0.343 0.000 2.565 527 S HA 0.719 5.189 4.470 0.000 0.000 0.269 527 S C -1.461 173.152 174.600 0.022 0.000 1.153 527 S CA -0.802 57.280 58.200 -0.196 0.000 0.835 527 S CB 1.809 64.886 63.200 -0.205 0.000 1.122 527 S HN 0.044 nan 8.310 nan 0.000 0.462 528 N N 0.294 119.081 118.700 0.145 0.000 3.153 528 N HA 0.291 5.031 4.740 0.000 0.000 0.208 528 N C -2.169 173.468 175.510 0.211 0.000 1.462 528 N CA -0.284 52.875 53.050 0.182 0.000 0.754 528 N CB 0.458 39.080 38.487 0.224 0.000 1.558 528 N HN 0.663 nan 8.380 nan 0.000 0.605 529 F N 3.773 123.746 119.950 0.038 0.000 2.469 529 F HA 0.707 5.234 4.527 0.000 0.000 0.332 529 F C -1.801 173.967 175.800 -0.053 0.000 1.103 529 F CA -2.126 55.878 58.000 0.006 0.000 0.979 529 F CB 2.151 41.167 39.000 0.026 0.000 1.137 529 F HN 0.162 nan 8.300 nan 0.000 0.463 530 P HA 0.070 nan 4.420 nan 0.000 0.263 530 P C 0.604 177.626 177.300 -0.464 0.000 1.448 530 P CA 0.141 62.563 63.100 -1.129 0.000 0.983 530 P CB 0.528 31.425 31.700 -1.337 0.000 1.481 531 K N 0.868 121.081 120.400 -0.312 0.000 2.059 531 K HA -0.147 4.173 4.320 0.000 0.000 0.212 531 K C -0.022 176.225 176.600 -0.588 0.000 1.050 531 K CA 1.622 57.661 56.287 -0.413 0.000 0.927 531 K CB -0.659 31.581 32.500 -0.433 0.000 0.714 531 K HN 0.106 nan 8.250 nan 0.000 0.447 532 Y N 0.810 121.095 120.300 -0.026 0.000 2.485 532 Y HA 0.220 4.770 4.550 0.000 0.000 0.345 532 Y C -0.265 175.700 175.900 0.108 0.000 0.998 532 Y CA -2.099 56.006 58.100 0.007 0.000 1.059 532 Y CB 1.137 39.609 38.460 0.021 0.000 1.234 532 Y HN 0.139 nan 8.280 nan 0.000 0.461 533 D N 1.377 121.945 120.400 0.280 0.000 2.361 533 D HA 0.085 4.726 4.640 0.000 0.000 0.239 533 D C -0.531 175.952 176.300 0.304 0.000 1.200 533 D CA -0.365 53.830 54.000 0.325 0.000 0.915 533 D CB 0.748 41.672 40.800 0.207 0.000 1.170 533 D HN 0.511 nan 8.370 nan 0.000 0.444 534 R N 0.786 121.434 120.500 0.248 0.000 2.390 534 R HA 0.210 4.550 4.340 0.000 0.000 0.291 534 R C 0.551 176.947 176.300 0.160 0.000 1.070 534 R CA -0.739 55.459 56.100 0.165 0.000 1.014 534 R CB 0.433 30.743 30.300 0.018 0.000 1.007 534 R HN 0.436 nan 8.270 nan 0.000 0.466 535 N N 0.737 119.553 118.700 0.193 0.000 2.520 535 N HA -0.045 4.695 4.740 0.000 0.000 0.273 535 N C 0.536 176.148 175.510 0.169 0.000 1.155 535 N CA 0.110 53.261 53.050 0.169 0.000 0.967 535 N CB 1.193 39.762 38.487 0.136 0.000 1.092 535 N HN 0.647 nan 8.380 nan 0.000 0.457 536 S N 2.181 117.927 115.700 0.077 0.000 2.527 536 S HA -0.022 4.448 4.470 0.000 0.000 0.222 536 S C 0.336 174.929 174.600 -0.012 0.000 0.985 536 S CA -0.054 58.154 58.200 0.012 0.000 0.921 536 S CB -0.147 63.057 63.200 0.007 0.000 0.772 536 S HN 0.726 nan 8.310 nan 0.000 0.529 537 N N 1.098 119.812 118.700 0.025 0.000 2.747 537 N HA -0.139 4.601 4.740 0.000 0.000 0.249 537 N C 0.640 176.141 175.510 -0.014 0.000 1.107 537 N CA 1.522 54.576 53.050 0.006 0.000 0.707 537 N CB -2.126 36.346 38.487 -0.026 0.000 1.054 537 N HN 0.873 nan 8.380 nan 0.000 0.555 538 T N -5.842 108.705 114.554 -0.011 0.000 2.955 538 T HA 0.424 4.775 4.350 0.000 0.000 0.251 538 T C 1.392 176.082 174.700 -0.017 0.000 1.002 538 T CA 1.186 63.277 62.100 -0.015 0.000 0.970 538 T CB 0.891 69.749 68.868 -0.015 0.000 1.091 538 T HN 0.728 nan 8.240 nan 0.000 0.495 539 G N 0.971 109.759 108.800 -0.020 0.000 2.176 539 G HA2 -0.051 3.909 3.960 0.000 0.000 0.253 539 G HA3 -0.051 3.909 3.960 0.000 0.000 0.253 539 G C 0.543 175.428 174.900 -0.026 0.000 0.979 539 G CA 0.031 45.112 45.100 -0.033 0.000 0.641 539 G HN 1.020 nan 8.290 nan 0.000 0.530 540 G N -1.065 107.728 108.800 -0.012 0.000 2.535 540 G HA2 0.551 4.512 3.960 0.000 0.000 0.282 540 G HA3 0.551 4.512 3.960 0.000 0.000 0.282 540 G C 0.295 175.200 174.900 0.008 0.000 1.350 540 G CA 0.086 45.184 45.100 -0.004 0.000 1.039 540 G HN 0.899 nan 8.290 nan 0.000 0.509 541 V N 1.527 121.450 119.914 0.015 0.000 2.364 541 V HA 0.041 4.161 4.120 0.000 0.000 0.252 541 V C 1.591 177.711 176.094 0.043 0.000 1.075 541 V CA 0.033 62.352 62.300 0.032 0.000 1.033 541 V CB -0.034 31.803 31.823 0.023 0.000 1.116 541 V HN 0.585 nan 8.190 nan 0.000 0.488 542 I N 3.698 124.307 120.570 0.065 0.000 2.151 542 I HA -0.269 3.901 4.170 0.000 0.000 0.243 542 I C 2.449 178.605 176.117 0.065 0.000 1.080 542 I CA 2.004 63.345 61.300 0.069 0.000 1.339 542 I CB -0.225 37.835 38.000 0.101 0.000 1.039 542 I HN 0.675 nan 8.210 nan 0.000 0.409 543 A N -0.042 122.825 122.820 0.079 0.000 2.209 543 A HA -0.048 4.273 4.320 0.000 0.000 0.212 543 A C 2.056 179.665 177.584 0.041 0.000 1.158 543 A CA 0.901 52.979 52.037 0.067 0.000 0.742 543 A CB -0.257 18.791 19.000 0.081 0.000 0.790 543 A HN 0.262 nan 8.150 nan 0.000 0.472 544 R N 0.208 120.728 120.500 0.033 0.000 2.362 544 R HA 0.174 4.514 4.340 0.000 0.000 0.227 544 R C -0.447 175.860 176.300 0.012 0.000 0.905 544 R CA 0.086 56.197 56.100 0.018 0.000 1.067 544 R CB 0.144 30.451 30.300 0.012 0.000 1.078 544 R HN 0.615 nan 8.270 nan 0.000 0.516 545 E N 1.539 121.747 120.200 0.014 0.000 2.283 545 E HA 0.104 4.454 4.350 0.000 0.000 0.278 545 E C -0.087 176.513 176.600 -0.001 0.000 1.027 545 E CA -0.341 56.062 56.400 0.004 0.000 0.843 545 E CB 1.027 30.729 29.700 0.002 0.000 1.062 545 E HN -0.138 nan 8.360 nan 0.000 0.401 546 Q N 1.952 121.748 119.800 -0.007 0.000 2.373 546 Q HA -0.016 4.325 4.340 0.000 0.000 0.255 546 Q C 0.951 176.937 176.000 -0.022 0.000 0.980 546 Q CA -0.003 55.792 55.803 -0.012 0.000 0.882 546 Q CB 1.085 29.816 28.738 -0.012 0.000 1.249 546 Q HN 0.518 nan 8.270 nan 0.000 0.438 547 L N 2.942 124.147 121.223 -0.029 0.000 2.043 547 L HA -0.253 4.087 4.340 0.000 0.000 0.212 547 L C 1.936 178.777 176.870 -0.048 0.000 1.075 547 L CA 2.186 56.998 54.840 -0.047 0.000 0.752 547 L CB -0.415 41.612 42.059 -0.053 0.000 0.891 547 L HN 0.703 nan 8.230 nan 0.000 0.432 548 E N -0.095 120.083 120.200 -0.037 0.000 2.204 548 E HA -0.213 4.137 4.350 0.000 0.000 0.195 548 E C 1.972 178.551 176.600 -0.034 0.000 0.990 548 E CA 1.370 57.749 56.400 -0.035 0.000 0.821 548 E CB -0.133 29.552 29.700 -0.026 0.000 0.750 548 E HN 0.658 nan 8.360 nan 0.000 0.477 549 E N -0.549 119.633 120.200 -0.030 0.000 2.358 549 E HA -0.024 4.327 4.350 0.000 0.000 0.195 549 E C 0.374 176.953 176.600 -0.035 0.000 1.010 549 E CA 0.116 56.499 56.400 -0.027 0.000 0.856 549 E CB -0.003 29.685 29.700 -0.019 0.000 0.795 549 E HN 0.359 nan 8.360 nan 0.000 0.504 550 M N 0.218 119.790 119.600 -0.047 0.000 2.198 550 M HA 0.136 4.617 4.480 0.000 0.000 0.315 550 M C -0.086 176.168 176.300 -0.077 0.000 1.134 550 M CA -0.152 55.111 55.300 -0.062 0.000 1.171 550 M CB 0.828 33.381 32.600 -0.079 0.000 1.413 550 M HN -0.026 nan 8.290 nan 0.000 0.467 551 C N 0.325 119.570 119.300 -0.091 0.000 2.614 551 C HA 0.623 5.083 4.460 0.000 0.000 0.320 551 C C 0.623 175.519 174.990 -0.157 0.000 1.200 551 C CA -0.845 58.115 59.018 -0.097 0.000 1.700 551 C CB 1.686 29.387 27.740 -0.065 0.000 2.275 551 C HN 0.904 nan 8.230 nan 0.000 0.492 552 T N 0.237 114.703 114.554 -0.147 0.000 2.868 552 T HA 0.638 4.988 4.350 0.000 0.000 0.292 552 T C -0.294 174.333 174.700 -0.123 0.000 1.028 552 T CA -0.315 61.674 62.100 -0.184 0.000 1.059 552 T CB 1.003 69.796 68.868 -0.126 0.000 0.991 552 T HN 1.154 nan 8.240 nan 0.000 0.531 553 A N 1.513 124.269 122.820 -0.106 0.000 2.393 553 A HA 0.642 4.962 4.320 0.000 0.000 0.306 553 A C -0.528 177.045 177.584 -0.018 0.000 1.050 553 A CA -0.909 51.110 52.037 -0.030 0.000 0.724 553 A CB 1.705 20.715 19.000 0.018 0.000 1.248 553 A HN 0.833 nan 8.150 nan 0.000 0.424 554 V N 3.468 123.367 119.914 -0.025 0.000 2.353 554 V HA 0.201 4.321 4.120 0.000 0.000 0.264 554 V C 0.138 176.181 176.094 -0.085 0.000 1.049 554 V CA -0.175 62.094 62.300 -0.052 0.000 0.896 554 V CB 0.122 31.930 31.823 -0.025 0.000 1.025 554 V HN 0.902 nan 8.190 nan 0.000 0.475 555 N N 4.775 123.325 118.700 -0.250 0.000 2.417 555 N HA 0.708 5.448 4.740 0.000 0.000 0.300 555 N C -0.723 174.602 175.510 -0.310 0.000 1.102 555 N CA -0.976 51.934 53.050 -0.234 0.000 0.886 555 N CB 1.882 40.162 38.487 -0.344 0.000 1.203 555 N HN 0.533 nan 8.380 nan 0.000 0.496 556 R N 1.433 121.916 120.500 -0.029 0.000 2.628 556 R HA 0.495 4.835 4.340 0.000 0.000 0.288 556 R C -1.157 175.106 176.300 -0.062 0.000 0.980 556 R CA -0.853 55.189 56.100 -0.097 0.000 0.891 556 R CB 1.768 31.961 30.300 -0.177 0.000 1.188 556 R HN 0.374 nan 8.270 nan 0.000 0.450 557 I N 3.535 124.073 120.570 -0.053 0.000 2.339 557 I HA 0.281 4.451 4.170 0.000 0.000 0.290 557 I C 0.212 176.256 176.117 -0.121 0.000 0.994 557 I CA -0.558 60.740 61.300 -0.003 0.000 1.191 557 I CB 1.103 39.199 38.000 0.160 0.000 1.343 557 I HN 0.473 nan 8.210 nan 0.000 0.458 558 H N 7.058 126.142 119.070 0.024 0.000 2.473 558 H HA 0.595 5.151 4.556 0.000 0.000 0.327 558 H C -0.120 175.239 175.328 0.052 0.000 1.105 558 H CA -0.613 55.421 56.048 -0.023 0.000 1.280 558 H CB 1.769 31.395 29.762 -0.228 0.000 1.450 558 H HN 0.520 nan 8.280 nan 0.000 0.492 559 R N 1.257 121.840 120.500 0.139 0.000 2.548 559 R HA 0.672 5.012 4.340 0.000 0.000 0.280 559 R C -0.747 175.605 176.300 0.087 0.000 1.061 559 R CA -1.038 55.134 56.100 0.120 0.000 0.915 559 R CB 2.133 32.495 30.300 0.103 0.000 1.210 559 R HN 0.829 nan 8.270 nan 0.000 0.442 560 G N 1.776 110.602 108.800 0.043 0.000 2.345 560 G HA2 0.161 4.121 3.960 0.000 0.000 0.285 560 G HA3 0.161 4.121 3.960 0.000 0.000 0.285 560 G C -2.689 172.155 174.900 -0.094 0.000 1.297 560 G CA -0.802 44.292 45.100 -0.009 0.000 0.875 560 G HN 0.300 nan 8.290 nan 0.000 0.506 561 P HA 0.055 nan 4.420 nan 0.000 0.217 561 P C 1.165 178.326 177.300 -0.232 0.000 1.150 561 P CA 1.313 64.310 63.100 -0.172 0.000 0.832 561 P CB 0.243 31.861 31.700 -0.137 0.000 0.787 562 E N -1.398 118.628 120.200 -0.290 0.000 2.385 562 E HA -0.026 4.325 4.350 0.000 0.000 0.194 562 E C 0.103 176.138 176.600 -0.942 0.000 1.013 562 E CA 0.641 56.731 56.400 -0.517 0.000 0.866 562 E CB -0.354 29.033 29.700 -0.522 0.000 0.832 562 E HN 0.545 nan 8.360 nan 0.000 0.500 563 H N 0.412 119.166 119.070 -0.527 0.000 2.379 563 H HA 0.177 4.733 4.556 0.000 0.000 0.229 563 H C -2.250 172.692 175.328 -0.642 0.000 1.423 563 H CA -1.620 53.768 56.048 -1.099 0.000 1.375 563 H CB 0.770 30.137 29.762 -0.659 0.000 1.592 563 H HN -0.069 nan 8.280 nan 0.000 0.507 564 P HA 0.037 nan 4.420 nan 0.000 0.230 564 P C -0.251 177.428 177.300 0.631 0.000 1.791 564 P CA -0.153 63.064 63.100 0.196 0.000 1.020 564 P CB -0.020 31.774 31.700 0.157 0.000 1.977 565 S N 3.016 119.036 115.700 0.533 0.000 2.558 565 S HA 0.099 4.570 4.470 0.000 0.000 0.293 565 S C 0.558 175.352 174.600 0.323 0.000 1.292 565 S CA 0.296 58.751 58.200 0.424 0.000 1.063 565 S CB -0.318 63.029 63.200 0.244 0.000 0.831 565 S HN 0.582 nan 8.310 nan 0.000 0.499 566 H N 0.246 119.358 119.070 0.069 0.000 3.014 566 H HA 0.510 5.067 4.556 0.000 0.000 0.337 566 H C -1.284 174.000 175.328 -0.073 0.000 1.320 566 H CA -1.006 54.993 56.048 -0.082 0.000 1.128 566 H CB 0.766 30.308 29.762 -0.367 0.000 1.862 566 H HN 0.548 nan 8.280 nan 0.000 0.536 567 I N 1.954 122.541 120.570 0.029 0.000 2.437 567 I HA 0.308 4.479 4.170 0.000 0.000 0.298 567 I C -0.703 175.501 176.117 0.144 0.000 0.984 567 I CA -1.019 60.292 61.300 0.018 0.000 1.214 567 I CB 1.143 39.140 38.000 -0.005 0.000 1.365 567 I HN 0.381 nan 8.210 nan 0.000 0.469 568 V N 8.317 128.309 119.914 0.130 0.000 2.348 568 V HA 0.293 4.413 4.120 0.000 0.000 0.270 568 V C 0.113 176.285 176.094 0.130 0.000 1.037 568 V CA -0.468 61.942 62.300 0.183 0.000 0.872 568 V CB 0.759 32.694 31.823 0.187 0.000 1.002 568 V HN 0.498 nan 8.190 nan 0.000 0.464 569 L N 7.907 129.199 121.223 0.115 0.000 2.275 569 L HA 0.451 4.792 4.340 0.000 0.000 0.288 569 L C -2.092 174.778 176.870 0.001 0.000 1.046 569 L CA -1.788 53.053 54.840 0.002 0.000 0.805 569 L CB 2.175 44.112 42.059 -0.202 0.000 1.193 569 L HN 0.398 nan 8.230 nan 0.000 0.426 570 P HA 0.108 nan 4.420 nan 0.000 0.260 570 P C -0.474 176.691 177.300 -0.224 0.000 1.651 570 P CA -0.211 62.714 63.100 -0.292 0.000 1.139 570 P CB 0.019 31.549 31.700 -0.284 0.000 1.756 571 I N 5.070 125.536 120.570 -0.173 0.000 2.496 571 I HA 0.212 4.382 4.170 0.000 0.000 0.285 571 I C 0.887 176.929 176.117 -0.124 0.000 1.080 571 I CA -0.390 60.854 61.300 -0.094 0.000 1.404 571 I CB 0.516 38.513 38.000 -0.005 0.000 1.403 571 I HN 0.201 nan 8.210 nan 0.000 0.539 572 I N 6.040 126.555 120.570 -0.092 0.000 2.406 572 I HA 0.318 4.488 4.170 0.000 0.000 0.290 572 I C 0.038 176.125 176.117 -0.050 0.000 0.999 572 I CA -0.975 60.275 61.300 -0.083 0.000 1.124 572 I CB 1.546 39.496 38.000 -0.084 0.000 1.289 572 I HN 0.470 nan 8.210 nan 0.000 0.441 573 K N 6.625 127.000 120.400 -0.042 0.000 2.358 573 K HA 0.663 4.983 4.320 0.000 0.000 0.260 573 K C -0.880 175.705 176.600 -0.025 0.000 0.956 573 K CA -0.407 55.864 56.287 -0.027 0.000 0.834 573 K CB 1.491 33.979 32.500 -0.021 0.000 1.102 573 K HN 0.554 nan 8.250 nan 0.000 0.431 574 R N 2.687 123.174 120.500 -0.022 0.000 2.867 574 R HA 0.593 4.933 4.340 0.000 0.000 0.268 574 R C -0.871 175.420 176.300 -0.015 0.000 1.014 574 R CA -0.993 55.096 56.100 -0.018 0.000 0.946 574 R CB 2.123 32.412 30.300 -0.019 0.000 1.208 574 R HN 0.544 nan 8.270 nan 0.000 0.477 575 K N 0.000 120.394 120.400 -0.011 0.000 2.780 575 K HA 0.000 4.320 4.320 0.000 0.000 0.191 575 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 575 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 575 K HN 0.000 nan 8.250 nan 0.000 0.543