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 2onm_1_H DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.587 177.584 0.005 0.000 1.274 7 A CA 0.000 52.056 52.037 0.032 0.000 0.836 7 A CB 0.000 19.034 19.000 0.057 0.000 0.831 8 V N 1.589 121.469 119.914 -0.058 0.000 2.448 8 V HA 0.491 4.611 4.120 0.001 0.000 0.295 8 V C -2.131 173.853 176.094 -0.183 0.000 1.025 8 V CA -1.479 60.678 62.300 -0.239 0.000 0.859 8 V CB 1.464 33.170 31.823 -0.196 0.000 0.988 8 V HN 0.538 nan 8.190 nan 0.000 0.431 9 P HA 0.305 nan 4.420 nan 0.000 0.269 9 P C -0.307 176.999 177.300 0.009 0.000 1.215 9 P CA -0.166 62.878 63.100 -0.093 0.000 0.780 9 P CB 0.492 32.147 31.700 -0.075 0.000 0.898 10 A N 3.941 126.761 122.820 0.000 0.000 2.492 10 A HA 0.327 4.647 4.320 0.001 0.000 0.254 10 A C -1.678 175.847 177.584 -0.099 0.000 1.091 10 A CA -0.735 51.283 52.037 -0.032 0.000 0.768 10 A CB -1.008 17.969 19.000 -0.038 0.000 1.028 10 A HN 0.429 nan 8.150 nan 0.000 0.498 11 P HA 0.149 nan 4.420 nan 0.000 0.276 11 P C -0.842 176.252 177.300 -0.344 0.000 1.244 11 P CA -0.675 62.122 63.100 -0.506 0.000 0.801 11 P CB 0.777 31.735 31.700 -1.237 0.000 1.006 12 N N 1.501 120.037 118.700 -0.274 0.000 2.437 12 N HA 0.036 4.776 4.740 0.001 0.000 0.243 12 N C 0.787 176.000 175.510 -0.495 0.000 1.041 12 N CA 0.018 52.914 53.050 -0.257 0.000 0.940 12 N CB 0.384 38.814 38.487 -0.094 0.000 1.133 12 N HN 0.240 nan 8.380 nan 0.000 0.506 13 Q N 1.679 121.047 119.800 -0.720 0.000 2.541 13 Q HA -0.035 4.305 4.340 0.001 0.000 0.215 13 Q C -0.207 175.332 176.000 -0.768 0.000 0.977 13 Q CA 0.894 55.919 55.803 -1.296 0.000 0.934 13 Q CB 0.244 28.393 28.738 -0.982 0.000 0.988 13 Q HN 0.631 nan 8.270 nan 0.000 0.521 14 Q N 0.846 120.402 119.800 -0.407 0.000 3.394 14 Q HA 0.219 4.559 4.340 0.001 0.000 0.285 14 Q C -2.496 173.420 176.000 -0.140 0.000 0.866 14 Q CA -1.330 54.340 55.803 -0.221 0.000 0.844 14 Q CB 1.542 30.175 28.738 -0.174 0.000 1.472 14 Q HN 0.144 nan 8.270 nan 0.000 0.401 15 P HA -0.030 nan 4.420 nan 0.000 0.268 15 P C -0.334 176.947 177.300 -0.031 0.000 1.205 15 P CA 0.107 63.208 63.100 0.002 0.000 0.771 15 P CB 1.106 32.783 31.700 -0.038 0.000 0.858 16 E N 1.274 121.449 120.200 -0.041 0.000 2.343 16 E HA 0.250 4.600 4.350 0.001 0.000 0.269 16 E C -0.797 175.506 176.600 -0.494 0.000 1.047 16 E CA -0.739 55.454 56.400 -0.345 0.000 0.874 16 E CB 0.829 30.191 29.700 -0.564 0.000 1.033 16 E HN 0.154 nan 8.360 nan 0.000 0.409 17 V N 5.635 125.245 119.914 -0.507 0.000 2.370 17 V HA 0.146 4.266 4.120 0.001 0.000 0.279 17 V C -0.058 175.733 176.094 -0.504 0.000 1.029 17 V CA -0.116 61.974 62.300 -0.350 0.000 0.870 17 V CB 0.873 32.584 31.823 -0.186 0.000 0.984 17 V HN 0.706 nan 8.190 nan 0.000 0.451 18 F N 1.689 121.643 119.950 0.007 0.000 2.694 18 F HA 0.260 4.787 4.527 0.001 0.000 0.292 18 F C 0.909 176.586 175.800 -0.205 0.000 1.121 18 F CA -0.102 57.864 58.000 -0.058 0.000 1.352 18 F CB 0.401 39.412 39.000 0.018 0.000 1.107 18 F HN 0.385 nan 8.300 nan 0.000 0.597 19 C N 1.835 121.099 119.300 -0.061 0.000 2.396 19 C HA 0.461 4.921 4.460 0.001 0.000 0.321 19 C C 0.265 175.070 174.990 -0.308 0.000 1.233 19 C CA -0.847 57.888 59.018 -0.473 0.000 1.440 19 C CB 0.663 28.073 27.740 -0.550 0.000 2.110 19 C HN 0.534 nan 8.230 nan 0.000 0.473 20 N N 0.720 119.213 118.700 -0.345 0.000 2.162 20 N HA 0.059 4.799 4.740 0.001 0.000 0.232 20 N C -0.422 175.042 175.510 -0.077 0.000 1.361 20 N CA -0.289 52.660 53.050 -0.168 0.000 0.786 20 N CB -0.000 38.386 38.487 -0.168 0.000 1.290 20 N HN 0.800 nan 8.380 nan 0.000 0.505 21 Q N -0.018 119.793 119.800 0.019 0.000 2.852 21 Q HA 0.580 4.920 4.340 0.001 0.000 0.262 21 Q C -0.417 175.880 176.000 0.496 0.000 1.051 21 Q CA -1.006 54.944 55.803 0.246 0.000 0.894 21 Q CB 1.847 30.758 28.738 0.288 0.000 1.381 21 Q HN 0.100 nan 8.270 nan 0.000 0.501 22 I N 1.218 122.038 120.570 0.416 0.000 2.441 22 I HA 0.157 4.327 4.170 0.001 0.000 0.287 22 I C -0.734 175.567 176.117 0.305 0.000 1.049 22 I CA -0.119 61.392 61.300 0.352 0.000 1.381 22 I CB 0.375 38.533 38.000 0.263 0.000 1.409 22 I HN 0.370 nan 8.210 nan 0.000 0.523 23 F N 8.134 128.058 119.950 -0.043 0.000 2.361 23 F HA 0.612 5.139 4.527 0.000 0.000 0.364 23 F C -0.474 175.205 175.800 -0.202 0.000 1.120 23 F CA -0.365 57.370 58.000 -0.442 0.000 1.102 23 F CB 0.423 39.027 39.000 -0.660 0.000 1.183 23 F HN 0.186 nan 8.300 nan 0.000 0.476 24 I N 5.642 125.938 120.570 -0.456 0.000 2.607 24 I HA 0.188 4.359 4.170 0.001 0.000 0.290 24 I C -0.364 175.538 176.117 -0.359 0.000 1.129 24 I CA -1.053 60.113 61.300 -0.225 0.000 1.042 24 I CB 1.889 39.907 38.000 0.030 0.000 1.242 24 I HN 0.512 nan 8.210 nan 0.000 0.421 25 N N 4.696 123.196 118.700 -0.334 0.000 2.721 25 N HA -0.245 4.495 4.740 0.001 0.000 0.249 25 N C 0.119 175.360 175.510 -0.448 0.000 1.072 25 N CA 1.369 54.250 53.050 -0.281 0.000 0.710 25 N CB -0.983 37.423 38.487 -0.135 0.000 0.993 25 N HN 0.947 nan 8.380 nan 0.000 0.547 26 N N -1.623 116.547 118.700 -0.884 0.000 2.753 26 N HA -0.225 4.515 4.740 0.001 0.000 0.251 26 N C -0.923 174.031 175.510 -0.927 0.000 1.097 26 N CA 1.142 53.614 53.050 -0.963 0.000 0.786 26 N CB -0.346 37.984 38.487 -0.260 0.000 1.137 26 N HN 0.572 nan 8.380 nan 0.000 0.566 27 E N -0.694 118.863 120.200 -1.071 0.000 2.277 27 E HA 0.322 4.673 4.350 0.001 0.000 0.266 27 E C -0.915 174.990 176.600 -1.158 0.000 0.901 27 E CA -0.655 55.252 56.400 -0.822 0.000 0.782 27 E CB 1.084 30.505 29.700 -0.464 0.000 1.228 27 E HN 0.116 nan 8.360 nan 0.000 0.424 28 W N 1.072 122.056 121.300 -0.527 0.000 2.338 28 W HA 0.299 4.959 4.660 0.000 0.000 0.307 28 W C 0.061 176.275 176.519 -0.510 0.000 1.167 28 W CA -0.183 56.936 57.345 -0.377 0.000 1.208 28 W CB 0.709 30.116 29.460 -0.087 0.000 1.228 28 W HN 0.493 nan 8.180 nan 0.000 0.499 29 H N 0.328 119.545 119.070 0.246 0.000 2.865 29 H HA 0.309 4.865 4.556 0.001 0.000 0.372 29 H C -0.624 174.796 175.328 0.154 0.000 1.173 29 H CA -1.163 54.971 56.048 0.144 0.000 1.147 29 H CB 1.615 31.415 29.762 0.063 0.000 1.805 29 H HN 0.211 nan 8.280 nan 0.000 0.553 30 D N 0.453 120.996 120.400 0.239 0.000 2.312 30 D HA 0.376 5.016 4.640 0.001 0.000 0.248 30 D C 0.209 176.600 176.300 0.151 0.000 1.086 30 D CA -0.407 53.689 54.000 0.160 0.000 0.948 30 D CB 1.315 42.182 40.800 0.111 0.000 1.162 30 D HN 0.659 nan 8.370 nan 0.000 0.446 31 A N 0.859 123.755 122.820 0.127 0.000 2.466 31 A HA 0.106 4.426 4.320 0.001 0.000 0.238 31 A C 1.566 179.203 177.584 0.088 0.000 1.074 31 A CA -0.415 51.690 52.037 0.114 0.000 0.774 31 A CB 0.328 19.401 19.000 0.122 0.000 1.015 31 A HN 0.423 nan 8.150 nan 0.000 0.498 32 V N 2.161 122.117 119.914 0.070 0.000 2.380 32 V HA -0.261 3.859 4.120 0.001 0.000 0.251 32 V C 2.747 178.873 176.094 0.054 0.000 1.063 32 V CA 2.784 65.114 62.300 0.050 0.000 1.055 32 V CB -0.999 30.846 31.823 0.037 0.000 0.657 32 V HN 1.133 nan 8.190 nan 0.000 0.455 33 S N -1.102 114.637 115.700 0.066 0.000 2.481 33 S HA -0.135 4.336 4.470 0.001 0.000 0.231 33 S C 1.382 176.022 174.600 0.067 0.000 0.996 33 S CA 0.519 58.758 58.200 0.065 0.000 0.942 33 S CB -0.101 63.146 63.200 0.078 0.000 0.768 33 S HN 0.530 nan 8.310 nan 0.000 0.520 34 R N -0.312 120.231 120.500 0.072 0.000 3.840 34 R HA -0.100 4.240 4.340 0.001 0.000 0.464 34 R C -0.557 175.788 176.300 0.074 0.000 0.986 34 R CA 1.333 57.474 56.100 0.068 0.000 1.305 34 R CB -2.193 28.139 30.300 0.054 0.000 1.950 34 R HN 0.571 nan 8.270 nan 0.000 0.526 35 K N 1.414 121.870 120.400 0.094 0.000 2.219 35 K HA 0.291 4.612 4.320 0.001 0.000 0.258 35 K C 0.748 177.423 176.600 0.125 0.000 1.008 35 K CA 0.802 57.158 56.287 0.115 0.000 0.928 35 K CB 0.644 33.231 32.500 0.146 0.000 0.983 35 K HN 0.281 nan 8.250 nan 0.000 0.484 36 T N -1.105 113.526 114.554 0.129 0.000 2.894 36 T HA 0.614 4.964 4.350 0.001 0.000 0.309 36 T C -0.914 173.882 174.700 0.161 0.000 1.208 36 T CA -1.077 61.068 62.100 0.075 0.000 1.016 36 T CB 0.652 69.507 68.868 -0.023 0.000 1.192 36 T HN 0.465 nan 8.240 nan 0.000 0.491 37 F N 0.032 120.016 119.950 0.056 0.000 2.561 37 F HA 0.912 5.440 4.527 0.001 0.000 0.321 37 F C -3.012 172.817 175.800 0.049 0.000 1.065 37 F CA -3.037 55.021 58.000 0.098 0.000 0.934 37 F CB 1.424 40.504 39.000 0.134 0.000 1.215 37 F HN 0.419 nan 8.300 nan 0.000 0.471 38 P HA 0.205 nan 4.420 nan 0.000 0.282 38 P C -1.012 176.384 177.300 0.160 0.000 1.249 38 P CA -0.208 62.941 63.100 0.081 0.000 0.806 38 P CB 1.947 33.709 31.700 0.103 0.000 0.984 39 T N 1.330 115.909 114.554 0.041 0.000 2.812 39 T HA 0.404 4.754 4.350 0.001 0.000 0.282 39 T C -0.616 174.110 174.700 0.043 0.000 0.990 39 T CA -0.535 61.614 62.100 0.083 0.000 0.960 39 T CB 0.383 69.277 68.868 0.042 0.000 0.948 39 T HN 0.073 nan 8.240 nan 0.000 0.438 40 V N 5.570 125.517 119.914 0.056 0.000 2.617 40 V HA 0.416 4.536 4.120 0.001 0.000 0.298 40 V C 0.661 176.766 176.094 0.018 0.000 1.048 40 V CA -1.005 61.319 62.300 0.040 0.000 0.964 40 V CB 1.528 33.397 31.823 0.076 0.000 1.004 40 V HN 0.955 nan 8.190 nan 0.000 0.466 41 N N 5.258 123.957 118.700 -0.001 0.000 2.415 41 N HA 0.230 4.970 4.740 0.001 0.000 0.246 41 N C -1.486 173.996 175.510 -0.047 0.000 1.078 41 N CA -1.480 51.560 53.050 -0.017 0.000 0.942 41 N CB 1.342 39.822 38.487 -0.010 0.000 1.140 41 N HN 0.415 nan 8.380 nan 0.000 0.501 42 P HA -0.082 nan 4.420 nan 0.000 0.228 42 P C 0.442 177.568 177.300 -0.289 0.000 1.151 42 P CA 0.926 63.987 63.100 -0.065 0.000 0.770 42 P CB 0.366 32.050 31.700 -0.026 0.000 0.786 43 S N -0.754 114.835 115.700 -0.185 0.000 2.470 43 S HA -0.015 4.455 4.470 0.001 0.000 0.225 43 S C 1.747 176.351 174.600 0.007 0.000 1.006 43 S CA 1.602 59.755 58.200 -0.077 0.000 0.934 43 S CB -0.431 62.814 63.200 0.076 0.000 0.778 43 S HN 0.446 nan 8.310 nan 0.000 0.517 44 T N -3.379 111.119 114.554 -0.094 0.000 2.958 44 T HA 0.461 4.811 4.350 0.001 0.000 0.256 44 T C 1.462 176.051 174.700 -0.185 0.000 0.983 44 T CA 0.761 62.803 62.100 -0.096 0.000 0.924 44 T CB 0.440 69.279 68.868 -0.048 0.000 1.136 44 T HN 0.450 nan 8.240 nan 0.000 0.506 45 G N 1.516 110.164 108.800 -0.253 0.000 2.179 45 G HA2 -0.207 3.753 3.960 0.001 0.000 0.260 45 G HA3 -0.207 3.753 3.960 0.001 0.000 0.260 45 G C -0.155 174.693 174.900 -0.086 0.000 0.977 45 G CA 0.117 45.068 45.100 -0.247 0.000 0.641 45 G HN 0.594 nan 8.290 nan 0.000 0.533 46 E N 0.012 120.172 120.200 -0.068 0.000 2.319 46 E HA 0.478 4.828 4.350 0.001 0.000 0.268 46 E C 0.664 177.253 176.600 -0.018 0.000 1.050 46 E CA -0.627 55.751 56.400 -0.036 0.000 0.878 46 E CB 1.788 31.465 29.700 -0.039 0.000 1.066 46 E HN 0.133 nan 8.360 nan 0.000 0.406 47 V N 4.177 124.084 119.914 -0.011 0.000 2.521 47 V HA -0.006 4.114 4.120 0.001 0.000 0.286 47 V C 1.698 177.777 176.094 -0.024 0.000 1.034 47 V CA 0.325 62.621 62.300 -0.006 0.000 1.045 47 V CB 0.258 32.080 31.823 -0.002 0.000 0.974 47 V HN 0.605 nan 8.190 nan 0.000 0.480 48 I N 3.997 124.551 120.570 -0.027 0.000 2.333 48 I HA 0.040 4.210 4.170 0.001 0.000 0.246 48 I C 0.979 177.058 176.117 -0.064 0.000 1.106 48 I CA 1.208 62.481 61.300 -0.044 0.000 1.411 48 I CB 0.135 38.111 38.000 -0.040 0.000 1.082 48 I HN 0.877 nan 8.210 nan 0.000 0.420 49 C N -2.145 117.112 119.300 -0.071 0.000 3.165 49 C HA 0.363 4.823 4.460 0.001 0.000 0.345 49 C C -1.304 173.615 174.990 -0.119 0.000 1.367 49 C CA -1.208 57.754 59.018 -0.093 0.000 1.205 49 C CB 1.171 28.844 27.740 -0.113 0.000 1.447 49 C HN 0.136 nan 8.230 nan 0.000 0.451 50 Q N 0.560 120.280 119.800 -0.133 0.000 2.227 50 Q HA 0.756 5.097 4.340 0.001 0.000 0.245 50 Q C -0.676 175.155 176.000 -0.281 0.000 0.926 50 Q CA -0.217 55.477 55.803 -0.182 0.000 0.895 50 Q CB 1.918 30.587 28.738 -0.116 0.000 1.230 50 Q HN 0.757 nan 8.270 nan 0.000 0.450 51 V N 0.800 120.413 119.914 -0.502 0.000 2.709 51 V HA 0.468 4.589 4.120 0.001 0.000 0.308 51 V C -0.485 175.306 176.094 -0.504 0.000 1.062 51 V CA -1.160 60.795 62.300 -0.574 0.000 0.901 51 V CB 1.927 33.213 31.823 -0.895 0.000 1.003 51 V HN 0.908 nan 8.190 nan 0.000 0.425 52 A N 3.011 125.723 122.820 -0.181 0.000 2.567 52 A HA 0.175 4.496 4.320 0.001 0.000 0.240 52 A C 0.379 178.030 177.584 0.112 0.000 1.053 52 A CA 0.324 52.359 52.037 -0.004 0.000 0.755 52 A CB -0.059 18.993 19.000 0.087 0.000 0.978 52 A HN 0.885 nan 8.150 nan 0.000 0.507 53 E N 2.689 123.021 120.200 0.220 0.000 1.936 53 E HA 0.364 4.714 4.350 0.001 0.000 0.267 53 E C 0.632 177.358 176.600 0.210 0.000 1.076 53 E CA -0.270 56.337 56.400 0.345 0.000 0.870 53 E CB 0.262 30.201 29.700 0.398 0.000 1.093 53 E HN 0.811 nan 8.360 nan 0.000 0.411 54 G N 3.345 112.252 108.800 0.178 0.000 2.483 54 G HA2 0.104 4.064 3.960 0.001 0.000 0.248 54 G HA3 0.104 4.064 3.960 0.001 0.000 0.248 54 G C -0.349 174.624 174.900 0.121 0.000 1.248 54 G CA -0.198 44.985 45.100 0.138 0.000 0.838 54 G HN 0.558 nan 8.290 nan 0.000 0.566 55 D N -0.514 119.952 120.400 0.109 0.000 2.798 55 D HA 0.200 4.841 4.640 0.001 0.000 0.308 55 D C 1.317 177.667 176.300 0.084 0.000 1.187 55 D CA -0.818 53.242 54.000 0.100 0.000 1.033 55 D CB 1.682 42.542 40.800 0.100 0.000 1.445 55 D HN 0.258 nan 8.370 nan 0.000 0.550 56 K N 0.381 120.823 120.400 0.071 0.000 2.077 56 K HA -0.221 4.099 4.320 0.001 0.000 0.213 56 K C 1.427 178.065 176.600 0.062 0.000 1.051 56 K CA 2.143 58.467 56.287 0.061 0.000 0.929 56 K CB 0.020 32.542 32.500 0.037 0.000 0.715 56 K HN 0.347 nan 8.250 nan 0.000 0.451 57 E N -0.167 120.065 120.200 0.053 0.000 2.204 57 E HA -0.146 4.204 4.350 0.001 0.000 0.194 57 E C 1.506 178.134 176.600 0.047 0.000 0.989 57 E CA 1.119 57.545 56.400 0.044 0.000 0.824 57 E CB 0.026 29.747 29.700 0.034 0.000 0.756 57 E HN 0.478 nan 8.360 nan 0.000 0.477 58 D N 0.403 120.838 120.400 0.058 0.000 2.137 58 D HA -0.087 4.553 4.640 0.001 0.000 0.202 58 D C 2.093 178.429 176.300 0.060 0.000 0.970 58 D CA 0.755 54.788 54.000 0.056 0.000 0.837 58 D CB 0.146 40.994 40.800 0.080 0.000 0.981 58 D HN 0.040 nan 8.370 nan 0.000 0.475 59 V N 1.961 121.923 119.914 0.080 0.000 2.407 59 V HA -0.200 3.920 4.120 0.001 0.000 0.248 59 V C 1.836 177.990 176.094 0.101 0.000 1.055 59 V CA 1.617 63.970 62.300 0.088 0.000 1.049 59 V CB -0.372 31.522 31.823 0.117 0.000 0.662 59 V HN 0.009 nan 8.190 nan 0.000 0.455 60 D N 0.021 120.499 120.400 0.130 0.000 2.144 60 D HA -0.130 4.510 4.640 0.001 0.000 0.200 60 D C 2.276 178.624 176.300 0.080 0.000 0.978 60 D CA 1.133 55.237 54.000 0.173 0.000 0.833 60 D CB -0.141 40.737 40.800 0.129 0.000 0.961 60 D HN 0.410 nan 8.370 nan 0.000 0.470 61 K N 0.388 120.806 120.400 0.031 0.000 2.103 61 K HA 0.048 4.368 4.320 0.001 0.000 0.204 61 K C 2.078 178.661 176.600 -0.029 0.000 1.052 61 K CA 0.932 57.210 56.287 -0.016 0.000 0.945 61 K CB 0.020 32.484 32.500 -0.060 0.000 0.722 61 K HN 0.009 nan 8.250 nan 0.000 0.443 62 A N 1.012 123.823 122.820 -0.016 0.000 1.877 62 A HA -0.126 4.194 4.320 0.001 0.000 0.216 62 A C 2.351 179.903 177.584 -0.054 0.000 1.186 62 A CA 1.434 53.455 52.037 -0.026 0.000 0.620 62 A CB -0.748 18.251 19.000 -0.002 0.000 0.822 62 A HN 0.059 nan 8.150 nan 0.000 0.443 63 V N 0.136 119.999 119.914 -0.085 0.000 2.392 63 V HA -0.280 3.840 4.120 0.001 0.000 0.249 63 V C 2.464 178.496 176.094 -0.104 0.000 1.059 63 V CA 2.363 64.559 62.300 -0.174 0.000 1.051 63 V CB -0.682 30.860 31.823 -0.469 0.000 0.658 63 V HN 0.533 nan 8.190 nan 0.000 0.455 64 K N -0.127 120.245 120.400 -0.048 0.000 2.097 64 K HA -0.129 4.191 4.320 0.001 0.000 0.206 64 K C 2.287 178.880 176.600 -0.013 0.000 1.049 64 K CA 1.444 57.724 56.287 -0.012 0.000 0.933 64 K CB -0.330 32.172 32.500 0.004 0.000 0.717 64 K HN 0.493 nan 8.250 nan 0.000 0.442 65 A N 1.133 123.935 122.820 -0.029 0.000 1.898 65 A HA -0.064 4.257 4.320 0.001 0.000 0.216 65 A C 2.301 179.874 177.584 -0.018 0.000 1.181 65 A CA 1.671 53.690 52.037 -0.031 0.000 0.620 65 A CB -0.584 18.382 19.000 -0.056 0.000 0.819 65 A HN 0.337 nan 8.150 nan 0.000 0.442 66 A N 0.094 122.895 122.820 -0.032 0.000 1.877 66 A HA -0.168 4.152 4.320 0.001 0.000 0.216 66 A C 2.204 179.812 177.584 0.040 0.000 1.186 66 A CA 2.042 54.065 52.037 -0.024 0.000 0.620 66 A CB -0.491 18.470 19.000 -0.065 0.000 0.822 66 A HN 0.526 nan 8.150 nan 0.000 0.443 67 R N -0.079 120.439 120.500 0.029 0.000 2.096 67 R HA -0.058 4.282 4.340 0.001 0.000 0.235 67 R C 2.074 178.458 176.300 0.140 0.000 1.127 67 R CA 1.787 57.944 56.100 0.095 0.000 0.968 67 R CB -0.520 29.812 30.300 0.054 0.000 0.861 67 R HN 0.401 nan 8.270 nan 0.000 0.440 68 A N 0.202 123.074 122.820 0.086 0.000 1.968 68 A HA 0.057 4.377 4.320 0.001 0.000 0.217 68 A C 2.317 179.966 177.584 0.109 0.000 1.169 68 A CA 1.301 53.387 52.037 0.082 0.000 0.638 68 A CB -0.755 18.272 19.000 0.045 0.000 0.812 68 A HN 0.500 nan 8.150 nan 0.000 0.446 69 A N -1.853 121.038 122.820 0.117 0.000 2.067 69 A HA 0.031 4.351 4.320 0.001 0.000 0.219 69 A C 1.717 179.463 177.584 0.270 0.000 1.158 69 A CA 1.250 53.374 52.037 0.145 0.000 0.661 69 A CB -0.536 18.508 19.000 0.072 0.000 0.801 69 A HN 0.571 nan 8.150 nan 0.000 0.452 70 F N 0.444 120.463 119.950 0.115 0.000 2.765 70 F HA 0.192 4.719 4.527 0.001 0.000 0.302 70 F C 0.634 176.505 175.800 0.117 0.000 1.111 70 F CA -0.255 57.840 58.000 0.159 0.000 1.359 70 F CB 0.141 39.220 39.000 0.132 0.000 1.097 70 F HN 0.106 nan 8.300 nan 0.000 0.577 71 Q N 1.748 121.596 119.800 0.080 0.000 2.337 71 Q HA 0.049 4.389 4.340 0.001 0.000 0.270 71 Q C -0.026 175.929 176.000 -0.076 0.000 1.002 71 Q CA -0.161 55.644 55.803 0.003 0.000 0.888 71 Q CB 1.053 29.816 28.738 0.041 0.000 1.222 71 Q HN 0.369 nan 8.270 nan 0.000 0.400 72 L N 1.475 122.637 121.223 -0.101 0.000 2.615 72 L HA 0.053 4.393 4.340 0.001 0.000 0.284 72 L C 1.142 177.983 176.870 -0.049 0.000 1.237 72 L CA 1.878 56.658 54.840 -0.100 0.000 0.905 72 L CB 0.024 42.043 42.059 -0.067 0.000 1.149 72 L HN 0.949 nan 8.230 nan 0.000 0.499 73 G N 2.003 110.775 108.800 -0.046 0.000 2.195 73 G HA2 -0.293 3.667 3.960 0.001 0.000 0.246 73 G HA3 -0.293 3.667 3.960 0.001 0.000 0.246 73 G C 0.285 175.187 174.900 0.002 0.000 0.984 73 G CA 0.300 45.389 45.100 -0.018 0.000 0.633 73 G HN 1.133 nan 8.290 nan 0.000 0.525 74 S N 0.358 116.065 115.700 0.012 0.000 2.614 74 S HA 0.603 5.073 4.470 0.001 0.000 0.265 74 S C -0.678 173.973 174.600 0.086 0.000 1.303 74 S CA -0.350 57.885 58.200 0.058 0.000 1.000 74 S CB 1.988 65.242 63.200 0.091 0.000 0.935 74 S HN -0.010 nan 8.310 nan 0.000 0.551 75 P HA -0.107 nan 4.420 nan 0.000 0.216 75 P C 1.233 178.669 177.300 0.226 0.000 1.153 75 P CA 1.179 64.364 63.100 0.141 0.000 0.858 75 P CB -0.087 31.702 31.700 0.148 0.000 0.789 76 W N 0.066 121.406 121.300 0.067 0.000 2.402 76 W HA -0.123 4.538 4.660 0.000 0.000 0.286 76 W C 1.592 178.152 176.519 0.069 0.000 1.221 76 W CA 0.725 58.131 57.345 0.101 0.000 1.257 76 W CB -0.058 29.492 29.460 0.151 0.000 1.120 76 W HN -0.139 nan 8.180 nan 0.000 0.551 77 R N 0.288 120.832 120.500 0.074 0.000 2.119 77 R HA -0.019 4.322 4.340 0.001 0.000 0.222 77 R C 2.087 178.319 176.300 -0.114 0.000 1.088 77 R CA 0.876 56.908 56.100 -0.113 0.000 0.984 77 R CB -0.641 29.561 30.300 -0.164 0.000 0.884 77 R HN 0.289 nan 8.270 nan 0.000 0.447 78 R N -0.189 120.279 120.500 -0.053 0.000 2.200 78 R HA 0.160 4.500 4.340 0.001 0.000 0.208 78 R C 1.122 177.386 176.300 -0.060 0.000 1.033 78 R CA -0.165 55.906 56.100 -0.049 0.000 1.000 78 R CB -0.020 30.267 30.300 -0.023 0.000 0.906 78 R HN 0.103 nan 8.270 nan 0.000 0.462 79 M N 2.188 121.751 119.600 -0.062 0.000 2.248 79 M HA -0.084 4.396 4.480 0.001 0.000 0.343 79 M C -0.656 175.594 176.300 -0.083 0.000 1.243 79 M CA 0.539 55.803 55.300 -0.060 0.000 1.025 79 M CB 0.468 33.049 32.600 -0.032 0.000 1.759 79 M HN -0.042 nan 8.290 nan 0.000 0.452 80 D N 3.708 124.083 120.400 -0.042 0.000 2.443 80 D HA 0.102 4.742 4.640 0.001 0.000 0.239 80 D C 0.791 177.081 176.300 -0.017 0.000 1.136 80 D CA 0.489 54.475 54.000 -0.023 0.000 0.879 80 D CB 1.094 41.894 40.800 0.001 0.000 1.195 80 D HN 0.754 nan 8.370 nan 0.000 0.443 81 A N 2.181 124.985 122.820 -0.026 0.000 1.940 81 A HA -0.220 4.100 4.320 0.001 0.000 0.219 81 A C 2.115 179.706 177.584 0.012 0.000 1.176 81 A CA 2.225 54.247 52.037 -0.025 0.000 0.631 81 A CB -0.631 18.373 19.000 0.006 0.000 0.814 81 A HN 0.595 nan 8.150 nan 0.000 0.446 82 S N -1.206 114.516 115.700 0.035 0.000 2.419 82 S HA -0.252 4.219 4.470 0.001 0.000 0.233 82 S C 1.840 176.477 174.600 0.061 0.000 1.016 82 S CA 1.653 59.880 58.200 0.045 0.000 0.974 82 S CB -0.673 62.555 63.200 0.046 0.000 0.786 82 S HN 0.724 nan 8.310 nan 0.000 0.492 83 H N 1.541 120.593 119.070 -0.029 0.000 2.462 83 H HA 0.250 4.806 4.556 0.000 0.000 0.292 83 H C 2.282 177.597 175.328 -0.022 0.000 1.049 83 H CA 1.315 57.346 56.048 -0.029 0.000 1.334 83 H CB -0.043 29.697 29.762 -0.036 0.000 1.404 83 H HN 0.372 nan 8.280 nan 0.000 0.544 84 R N -0.794 119.686 120.500 -0.034 0.000 2.092 84 R HA -0.049 4.292 4.340 0.001 0.000 0.231 84 R C 2.479 178.802 176.300 0.039 0.000 1.119 84 R CA 0.999 57.093 56.100 -0.009 0.000 0.970 84 R CB -0.411 29.835 30.300 -0.090 0.000 0.864 84 R HN 0.389 nan 8.270 nan 0.000 0.440 85 G N 1.329 110.140 108.800 0.019 0.000 2.418 85 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 85 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 85 G C 1.454 176.344 174.900 -0.017 0.000 1.158 85 G CA 0.188 45.310 45.100 0.037 0.000 0.771 85 G HN 0.126 nan 8.290 nan 0.000 0.545 86 R N 0.210 120.646 120.500 -0.108 0.000 2.096 86 R HA 0.069 4.409 4.340 0.001 0.000 0.235 86 R C 2.621 178.797 176.300 -0.206 0.000 1.127 86 R CA 0.558 56.563 56.100 -0.158 0.000 0.968 86 R CB -1.032 29.129 30.300 -0.232 0.000 0.861 86 R HN 0.397 nan 8.270 nan 0.000 0.440 87 L N 0.443 121.471 121.223 -0.326 0.000 2.046 87 L HA -0.146 4.194 4.340 0.001 0.000 0.208 87 L C 2.516 179.319 176.870 -0.112 0.000 1.077 87 L CA 1.040 55.628 54.840 -0.421 0.000 0.747 87 L CB -0.455 41.115 42.059 -0.815 0.000 0.896 87 L HN 0.116 nan 8.230 nan 0.000 0.432 88 L N -0.394 120.899 121.223 0.117 0.000 2.093 88 L HA -0.201 4.139 4.340 0.001 0.000 0.208 88 L C 2.371 179.335 176.870 0.156 0.000 1.085 88 L CA 0.953 55.953 54.840 0.268 0.000 0.755 88 L CB -0.481 41.737 42.059 0.265 0.000 0.904 88 L HN 0.355 nan 8.230 nan 0.000 0.435 89 N N -0.460 118.288 118.700 0.079 0.000 2.188 89 N HA -0.153 4.587 4.740 0.001 0.000 0.184 89 N C 1.955 177.495 175.510 0.051 0.000 1.018 89 N CA 0.762 53.847 53.050 0.060 0.000 0.858 89 N CB -0.171 38.333 38.487 0.028 0.000 0.989 89 N HN 0.161 nan 8.380 nan 0.000 0.426 90 R N 1.074 121.587 120.500 0.022 0.000 2.081 90 R HA -0.058 4.283 4.340 0.001 0.000 0.235 90 R C 2.010 178.350 176.300 0.066 0.000 1.131 90 R CA 0.633 56.744 56.100 0.018 0.000 0.960 90 R CB -0.866 29.410 30.300 -0.040 0.000 0.856 90 R HN 0.208 nan 8.270 nan 0.000 0.436 91 L N 0.822 122.118 121.223 0.123 0.000 2.083 91 L HA -0.067 4.273 4.340 0.001 0.000 0.209 91 L C 2.172 179.112 176.870 0.117 0.000 1.083 91 L CA 2.139 57.077 54.840 0.163 0.000 0.752 91 L CB -0.785 41.441 42.059 0.278 0.000 0.899 91 L HN 0.158 nan 8.230 nan 0.000 0.433 92 A N -0.874 122.013 122.820 0.111 0.000 1.898 92 A HA -0.189 4.131 4.320 0.001 0.000 0.216 92 A C 1.985 179.614 177.584 0.076 0.000 1.181 92 A CA 1.736 53.830 52.037 0.094 0.000 0.620 92 A CB -0.744 18.313 19.000 0.094 0.000 0.819 92 A HN 0.516 nan 8.150 nan 0.000 0.442 93 D N 0.180 120.621 120.400 0.068 0.000 2.117 93 D HA -0.108 4.532 4.640 0.001 0.000 0.197 93 D C 1.960 178.300 176.300 0.067 0.000 0.987 93 D CA 1.027 55.063 54.000 0.059 0.000 0.829 93 D CB -0.350 40.479 40.800 0.047 0.000 0.961 93 D HN 0.454 nan 8.370 nan 0.000 0.460 94 L N 0.463 121.729 121.223 0.071 0.000 2.056 94 L HA -0.100 4.240 4.340 0.001 0.000 0.207 94 L C 2.539 179.473 176.870 0.106 0.000 1.078 94 L CA 0.651 55.537 54.840 0.077 0.000 0.749 94 L CB -0.266 41.830 42.059 0.063 0.000 0.901 94 L HN 0.012 nan 8.230 nan 0.000 0.433 95 I N -0.178 120.455 120.570 0.104 0.000 2.286 95 I HA -0.285 3.885 4.170 0.001 0.000 0.248 95 I C 2.554 178.735 176.117 0.107 0.000 1.115 95 I CA 1.334 62.708 61.300 0.123 0.000 1.392 95 I CB -0.172 37.888 38.000 0.099 0.000 1.065 95 I HN 0.345 nan 8.210 nan 0.000 0.418 96 E N 1.120 121.367 120.200 0.079 0.000 2.152 96 E HA -0.229 4.121 4.350 0.001 0.000 0.192 96 E C 2.370 179.023 176.600 0.087 0.000 0.983 96 E CA 0.600 57.035 56.400 0.058 0.000 0.818 96 E CB 0.055 29.782 29.700 0.045 0.000 0.758 96 E HN 0.263 nan 8.360 nan 0.000 0.467 97 R N 0.424 120.983 120.500 0.098 0.000 2.081 97 R HA -0.118 4.222 4.340 0.001 0.000 0.235 97 R C 0.340 176.723 176.300 0.139 0.000 1.131 97 R CA 1.766 57.928 56.100 0.104 0.000 0.960 97 R CB 0.049 30.402 30.300 0.088 0.000 0.856 97 R HN 0.105 nan 8.270 nan 0.000 0.436 98 D N 0.021 120.528 120.400 0.178 0.000 2.460 98 D HA 0.026 4.667 4.640 0.001 0.000 0.229 98 D C 1.064 177.524 176.300 0.267 0.000 1.170 98 D CA -0.030 54.117 54.000 0.244 0.000 0.827 98 D CB 0.230 41.238 40.800 0.346 0.000 0.973 98 D HN 0.247 nan 8.370 nan 0.000 0.496 99 R N 0.404 121.023 120.500 0.198 0.000 2.080 99 R HA -0.148 4.192 4.340 0.001 0.000 0.236 99 R C 1.435 177.901 176.300 0.276 0.000 1.137 99 R CA 1.721 57.907 56.100 0.144 0.000 0.943 99 R CB -0.132 30.172 30.300 0.007 0.000 0.846 99 R HN 0.005 nan 8.270 nan 0.000 0.431 100 T N 0.170 114.980 114.554 0.427 0.000 2.684 100 T HA -0.234 4.116 4.350 0.001 0.000 0.267 100 T C 1.415 176.366 174.700 0.417 0.000 1.036 100 T CA 1.739 64.150 62.100 0.518 0.000 1.148 100 T CB -0.588 68.506 68.868 0.377 0.000 0.863 100 T HN 0.426 nan 8.240 nan 0.000 0.436 101 Y N 1.841 122.256 120.300 0.192 0.000 2.089 101 Y HA -0.078 4.473 4.550 0.001 0.000 0.282 101 Y C 2.077 178.036 175.900 0.098 0.000 1.139 101 Y CA 1.118 59.279 58.100 0.101 0.000 1.123 101 Y CB -0.710 37.749 38.460 -0.002 0.000 0.980 101 Y HN 0.095 nan 8.280 nan 0.000 0.493 102 L N 0.085 121.305 121.223 -0.004 0.000 2.079 102 L HA -0.258 4.083 4.340 0.001 0.000 0.210 102 L C 2.797 179.645 176.870 -0.036 0.000 1.081 102 L CA 1.289 56.066 54.840 -0.106 0.000 0.752 102 L CB -0.974 41.153 42.059 0.113 0.000 0.896 102 L HN 0.411 nan 8.230 nan 0.000 0.433 103 A N -0.176 122.714 122.820 0.117 0.000 1.902 103 A HA -0.173 4.147 4.320 0.001 0.000 0.217 103 A C 2.527 180.276 177.584 0.275 0.000 1.181 103 A CA 1.749 53.888 52.037 0.171 0.000 0.623 103 A CB -0.721 18.416 19.000 0.229 0.000 0.818 103 A HN 0.406 nan 8.150 nan 0.000 0.443 104 A N -0.638 122.403 122.820 0.369 0.000 1.877 104 A HA -0.020 4.301 4.320 0.001 0.000 0.216 104 A C 2.112 179.783 177.584 0.146 0.000 1.186 104 A CA 1.702 53.958 52.037 0.364 0.000 0.620 104 A CB -0.623 18.496 19.000 0.199 0.000 0.822 104 A HN 0.621 nan 8.150 nan 0.000 0.443 105 L N -0.124 121.016 121.223 -0.139 0.000 2.083 105 L HA -0.130 4.211 4.340 0.001 0.000 0.209 105 L C 2.225 179.045 176.870 -0.083 0.000 1.083 105 L CA 2.619 57.333 54.840 -0.209 0.000 0.752 105 L CB -0.611 41.142 42.059 -0.509 0.000 0.899 105 L HN 0.509 nan 8.230 nan 0.000 0.433 106 E N -1.066 119.100 120.200 -0.058 0.000 2.051 106 E HA -0.182 4.168 4.350 0.001 0.000 0.192 106 E C 2.060 178.626 176.600 -0.057 0.000 0.991 106 E CA 2.014 58.391 56.400 -0.039 0.000 0.799 106 E CB -0.385 29.301 29.700 -0.023 0.000 0.748 106 E HN 0.465 nan 8.360 nan 0.000 0.449 107 T N 0.775 115.290 114.554 -0.065 0.000 2.708 107 T HA -0.149 4.201 4.350 0.001 0.000 0.266 107 T C 1.754 176.353 174.700 -0.168 0.000 1.037 107 T CA 1.245 63.227 62.100 -0.196 0.000 1.146 107 T CB -0.409 68.208 68.868 -0.419 0.000 0.865 107 T HN 0.130 nan 8.240 nan 0.000 0.435 108 L N 1.156 122.377 121.223 -0.003 0.000 2.042 108 L HA -0.111 4.229 4.340 0.001 0.000 0.210 108 L C 2.056 178.930 176.870 0.007 0.000 1.076 108 L CA 1.877 56.772 54.840 0.092 0.000 0.749 108 L CB -0.364 41.782 42.059 0.144 0.000 0.893 108 L HN 0.101 nan 8.230 nan 0.000 0.432 109 D N -1.666 118.723 120.400 -0.018 0.000 2.240 109 D HA -0.136 4.504 4.640 0.001 0.000 0.206 109 D C 1.879 178.156 176.300 -0.037 0.000 0.963 109 D CA 0.765 54.753 54.000 -0.020 0.000 0.863 109 D CB 0.043 40.838 40.800 -0.009 0.000 0.973 109 D HN 0.442 nan 8.370 nan 0.000 0.501 110 N N -0.696 117.968 118.700 -0.060 0.000 2.436 110 N HA -0.021 4.719 4.740 0.001 0.000 0.178 110 N C 1.348 176.780 175.510 -0.130 0.000 1.026 110 N CA 1.592 54.594 53.050 -0.079 0.000 0.880 110 N CB 0.868 39.306 38.487 -0.082 0.000 1.061 110 N HN 0.240 nan 8.380 nan 0.000 0.434 111 G N 1.483 110.192 108.800 -0.153 0.000 2.218 111 G HA2 -0.250 3.710 3.960 0.001 0.000 0.216 111 G HA3 -0.250 3.710 3.960 0.001 0.000 0.216 111 G C -0.082 174.693 174.900 -0.207 0.000 0.994 111 G CA 0.350 45.335 45.100 -0.191 0.000 0.637 111 G HN 0.681 nan 8.290 nan 0.000 0.505 112 K N 1.087 121.363 120.400 -0.207 0.000 2.355 112 K HA 0.472 4.792 4.320 0.001 0.000 0.270 112 K C -2.632 173.860 176.600 -0.180 0.000 1.003 112 K CA -1.247 54.915 56.287 -0.207 0.000 0.957 112 K CB 0.540 32.895 32.500 -0.241 0.000 0.939 112 K HN 0.066 nan 8.250 nan 0.000 0.482 113 P HA -0.132 nan 4.420 nan 0.000 0.264 113 P C -0.364 176.900 177.300 -0.060 0.000 1.183 113 P CA 0.049 63.099 63.100 -0.083 0.000 0.763 113 P CB 0.132 31.821 31.700 -0.019 0.000 0.807 114 Y N 4.474 124.655 120.300 -0.197 0.000 2.224 114 Y HA -0.231 4.319 4.550 0.001 0.000 0.289 114 Y C 1.762 177.684 175.900 0.036 0.000 1.146 114 Y CA 1.676 59.709 58.100 -0.111 0.000 1.182 114 Y CB -0.736 37.674 38.460 -0.083 0.000 0.983 114 Y HN 0.077 nan 8.280 nan 0.000 0.524 115 V N 0.375 120.255 119.914 -0.055 0.000 2.295 115 V HA -0.323 3.798 4.120 0.001 0.000 0.246 115 V C 2.354 178.427 176.094 -0.036 0.000 1.049 115 V CA 1.820 64.070 62.300 -0.084 0.000 1.024 115 V CB -0.644 31.203 31.823 0.041 0.000 0.648 115 V HN 0.421 nan 8.190 nan 0.000 0.447 116 I N -0.284 120.294 120.570 0.014 0.000 2.315 116 I HA -0.155 4.015 4.170 0.001 0.000 0.248 116 I C 2.610 178.751 176.117 0.040 0.000 1.117 116 I CA 1.429 62.776 61.300 0.078 0.000 1.404 116 I CB -1.422 36.642 38.000 0.105 0.000 1.071 116 I HN 0.260 nan 8.210 nan 0.000 0.419 117 S N -0.184 115.494 115.700 -0.036 0.000 2.368 117 S HA -0.217 4.253 4.470 0.001 0.000 0.225 117 S C 2.048 176.617 174.600 -0.051 0.000 1.030 117 S CA 1.285 59.460 58.200 -0.041 0.000 0.999 117 S CB -0.296 62.873 63.200 -0.052 0.000 0.844 117 S HN 0.470 nan 8.310 nan 0.000 0.459 118 Y N 1.414 121.546 120.300 -0.280 0.000 2.176 118 Y HA 0.108 4.658 4.550 0.001 0.000 0.291 118 Y C 1.884 177.720 175.900 -0.105 0.000 1.122 118 Y CA 1.347 59.298 58.100 -0.248 0.000 1.128 118 Y CB -0.160 38.010 38.460 -0.483 0.000 1.005 118 Y HN 0.129 nan 8.280 nan 0.000 0.509 119 L N -1.254 120.032 121.223 0.106 0.000 2.240 119 L HA -0.089 4.251 4.340 0.001 0.000 0.211 119 L C 1.648 178.544 176.870 0.043 0.000 1.106 119 L CA 0.442 55.332 54.840 0.084 0.000 0.793 119 L CB -0.224 41.912 42.059 0.128 0.000 0.927 119 L HN 0.177 nan 8.230 nan 0.000 0.446 120 V N -0.973 118.980 119.914 0.065 0.000 2.868 120 V HA -0.054 4.066 4.120 0.001 0.000 0.227 120 V C 1.661 177.792 176.094 0.061 0.000 1.136 120 V CA 0.867 63.225 62.300 0.097 0.000 1.206 120 V CB -0.315 31.640 31.823 0.219 0.000 0.997 120 V HN 0.173 nan 8.190 nan 0.000 0.505 121 D N 0.865 121.310 120.400 0.076 0.000 2.137 121 D HA -0.228 4.412 4.640 0.001 0.000 0.189 121 D C 1.972 178.263 176.300 -0.015 0.000 0.998 121 D CA 1.771 55.795 54.000 0.040 0.000 0.839 121 D CB -0.340 40.494 40.800 0.058 0.000 0.962 121 D HN 0.214 nan 8.370 nan 0.000 0.446 122 L N 0.037 121.230 121.223 -0.051 0.000 2.141 122 L HA -0.137 4.203 4.340 0.001 0.000 0.209 122 L C 1.850 178.673 176.870 -0.077 0.000 1.094 122 L CA 1.202 55.995 54.840 -0.080 0.000 0.763 122 L CB -0.236 41.733 42.059 -0.150 0.000 0.908 122 L HN 0.033 nan 8.230 nan 0.000 0.437 123 D N -0.551 119.801 120.400 -0.080 0.000 2.117 123 D HA -0.210 4.430 4.640 0.001 0.000 0.198 123 D C 2.269 178.574 176.300 0.008 0.000 0.982 123 D CA 1.331 55.304 54.000 -0.046 0.000 0.828 123 D CB 0.075 40.856 40.800 -0.032 0.000 0.967 123 D HN 0.180 nan 8.370 nan 0.000 0.464 124 M N -0.328 119.285 119.600 0.021 0.000 2.229 124 M HA -0.095 4.385 4.480 0.001 0.000 0.264 124 M C 2.123 178.474 176.300 0.085 0.000 1.063 124 M CA 0.575 55.911 55.300 0.060 0.000 1.114 124 M CB 0.040 32.669 32.600 0.047 0.000 1.387 124 M HN 0.028 nan 8.290 nan 0.000 0.420 125 V N 0.959 120.898 119.914 0.043 0.000 2.307 125 V HA -0.252 3.868 4.120 0.001 0.000 0.245 125 V C 2.304 178.456 176.094 0.096 0.000 1.045 125 V CA 1.581 63.918 62.300 0.062 0.000 1.024 125 V CB -0.561 31.276 31.823 0.024 0.000 0.651 125 V HN 0.445 nan 8.190 nan 0.000 0.449 126 L N -0.572 120.691 121.223 0.066 0.000 2.046 126 L HA -0.206 4.135 4.340 0.001 0.000 0.208 126 L C 2.567 179.498 176.870 0.103 0.000 1.077 126 L CA 1.753 56.637 54.840 0.074 0.000 0.747 126 L CB -0.608 41.473 42.059 0.038 0.000 0.896 126 L HN 0.267 nan 8.230 nan 0.000 0.432 127 K N -0.974 119.485 120.400 0.099 0.000 2.148 127 K HA -0.179 4.141 4.320 0.001 0.000 0.204 127 K C 2.282 178.983 176.600 0.169 0.000 1.050 127 K CA 1.384 57.738 56.287 0.112 0.000 0.942 127 K CB -0.352 32.196 32.500 0.080 0.000 0.724 127 K HN 0.383 nan 8.250 nan 0.000 0.446 128 C N 1.018 120.447 119.300 0.216 0.000 2.453 128 C HA -0.016 4.444 4.460 0.001 0.000 0.277 128 C C 2.396 177.628 174.990 0.402 0.000 1.262 128 C CA 0.493 59.710 59.018 0.331 0.000 1.718 128 C CB -0.854 27.145 27.740 0.432 0.000 2.031 128 C HN 0.393 nan 8.230 nan 0.000 0.480 129 L N 0.327 121.729 121.223 0.299 0.000 2.046 129 L HA -0.110 4.231 4.340 0.001 0.000 0.208 129 L C 2.979 179.999 176.870 0.249 0.000 1.077 129 L CA 1.666 56.671 54.840 0.276 0.000 0.747 129 L CB -0.659 41.514 42.059 0.190 0.000 0.896 129 L HN 0.325 nan 8.230 nan 0.000 0.432 130 R N -1.483 119.134 120.500 0.194 0.000 2.148 130 R HA -0.176 4.164 4.340 0.001 0.000 0.223 130 R C 2.222 178.602 176.300 0.133 0.000 1.088 130 R CA 1.208 57.392 56.100 0.140 0.000 0.985 130 R CB -0.321 30.041 30.300 0.104 0.000 0.880 130 R HN 0.284 nan 8.270 nan 0.000 0.451 131 Y N 0.072 120.388 120.300 0.026 0.000 2.133 131 Y HA -0.244 4.306 4.550 0.001 0.000 0.287 131 Y C 1.601 177.453 175.900 -0.081 0.000 1.134 131 Y CA 1.444 59.491 58.100 -0.090 0.000 1.133 131 Y CB -0.464 37.893 38.460 -0.171 0.000 0.987 131 Y HN -0.022 nan 8.280 nan 0.000 0.502 132 Y N -0.120 120.298 120.300 0.196 0.000 2.333 132 Y HA -0.147 4.403 4.550 0.001 0.000 0.290 132 Y C 2.585 178.538 175.900 0.090 0.000 1.144 132 Y CA 0.810 58.999 58.100 0.147 0.000 1.228 132 Y CB -0.552 38.033 38.460 0.208 0.000 0.985 132 Y HN 0.289 nan 8.280 nan 0.000 0.542 133 A N 0.099 123.034 122.820 0.192 0.000 1.933 133 A HA -0.149 4.172 4.320 0.001 0.000 0.218 133 A C 2.524 180.134 177.584 0.043 0.000 1.175 133 A CA 1.716 53.831 52.037 0.129 0.000 0.628 133 A CB -1.385 17.674 19.000 0.098 0.000 0.814 133 A HN 0.466 nan 8.150 nan 0.000 0.444 134 G N -2.278 106.476 108.800 -0.075 0.000 2.443 134 G HA2 -0.221 3.740 3.960 0.001 0.000 0.219 134 G HA3 -0.221 3.740 3.960 0.001 0.000 0.219 134 G C 1.358 176.126 174.900 -0.221 0.000 1.131 134 G CA 0.695 45.671 45.100 -0.206 0.000 0.775 134 G HN 0.692 nan 8.290 nan 0.000 0.547 135 W N 0.561 121.746 121.300 -0.192 0.000 2.658 135 W HA 0.292 4.952 4.660 0.001 0.000 0.263 135 W C 2.755 179.254 176.519 -0.034 0.000 1.274 135 W CA 0.137 57.399 57.345 -0.138 0.000 1.343 135 W CB 0.329 29.702 29.460 -0.146 0.000 1.106 135 W HN 0.256 nan 8.180 nan 0.000 0.615 136 A N 1.187 124.152 122.820 0.242 0.000 1.940 136 A HA -0.302 4.018 4.320 0.001 0.000 0.221 136 A C 1.276 178.940 177.584 0.132 0.000 1.190 136 A CA 2.471 54.606 52.037 0.163 0.000 0.647 136 A CB -0.858 18.206 19.000 0.107 0.000 0.821 136 A HN 0.373 nan 8.150 nan 0.000 0.457 137 D N -2.375 118.090 120.400 0.109 0.000 2.670 137 D HA 0.228 4.869 4.640 0.001 0.000 0.255 137 D C 0.455 176.792 176.300 0.062 0.000 1.286 137 D CA -0.065 53.983 54.000 0.079 0.000 0.830 137 D CB 0.051 40.884 40.800 0.054 0.000 1.065 137 D HN 0.487 nan 8.370 nan 0.000 0.486 138 K N -0.612 119.847 120.400 0.098 0.000 2.517 138 K HA 0.054 4.375 4.320 0.001 0.000 0.210 138 K C -0.549 175.958 176.600 -0.156 0.000 1.166 138 K CA -0.510 55.740 56.287 -0.062 0.000 1.030 138 K CB 0.870 33.394 32.500 0.041 0.000 0.974 138 K HN -0.015 nan 8.250 nan 0.000 0.585 139 Y N 2.895 123.125 120.300 -0.117 0.000 2.691 139 Y HA 0.169 4.719 4.550 0.001 0.000 0.338 139 Y C -0.384 175.420 175.900 -0.160 0.000 1.148 139 Y CA -1.197 56.826 58.100 -0.129 0.000 1.430 139 Y CB -0.692 37.719 38.460 -0.082 0.000 1.303 139 Y HN 0.074 nan 8.280 nan 0.000 0.499 140 H N 1.517 120.503 119.070 -0.140 0.000 2.615 140 H HA 0.467 5.023 4.556 0.001 0.000 0.363 140 H C 0.818 175.747 175.328 -0.666 0.000 1.148 140 H CA 0.146 56.030 56.048 -0.273 0.000 1.401 140 H CB 0.892 30.574 29.762 -0.134 0.000 1.461 140 H HN 0.746 nan 8.280 nan 0.000 0.588 141 G N 0.402 108.933 108.800 -0.449 0.000 2.568 141 G HA2 0.487 4.448 3.960 0.001 0.000 0.293 141 G HA3 0.487 4.448 3.960 0.001 0.000 0.293 141 G C -0.835 173.925 174.900 -0.233 0.000 1.347 141 G CA -0.913 43.813 45.100 -0.623 0.000 1.039 141 G HN 0.539 nan 8.290 nan 0.000 0.523 142 K N -0.757 119.574 120.400 -0.114 0.000 2.395 142 K HA 0.574 4.894 4.320 0.001 0.000 0.247 142 K C -0.930 175.694 176.600 0.041 0.000 0.973 142 K CA -0.719 55.551 56.287 -0.029 0.000 0.828 142 K CB 2.125 34.617 32.500 -0.014 0.000 1.272 142 K HN 0.594 nan 8.250 nan 0.000 0.439 143 T N -0.919 113.673 114.554 0.063 0.000 2.791 143 T HA 0.555 4.905 4.350 0.001 0.000 0.288 143 T C -0.123 174.636 174.700 0.099 0.000 0.999 143 T CA -0.758 61.423 62.100 0.135 0.000 0.952 143 T CB -0.116 68.893 68.868 0.234 0.000 0.938 143 T HN 0.389 nan 8.240 nan 0.000 0.444 144 I N 5.457 126.072 120.570 0.076 0.000 2.336 144 I HA 0.348 4.518 4.170 0.001 0.000 0.292 144 I C -1.789 174.377 176.117 0.082 0.000 0.991 144 I CA -2.762 58.571 61.300 0.055 0.000 1.227 144 I CB 1.994 40.001 38.000 0.013 0.000 1.366 144 I HN 0.467 nan 8.210 nan 0.000 0.466 145 P HA 0.146 nan 4.420 nan 0.000 0.226 145 P C -0.014 177.331 177.300 0.074 0.000 1.783 145 P CA 0.101 63.251 63.100 0.083 0.000 0.980 145 P CB 0.145 31.882 31.700 0.062 0.000 1.967 146 I N 1.066 121.687 120.570 0.085 0.000 2.938 146 I HA 0.060 4.230 4.170 0.001 0.000 0.285 146 I C 0.188 176.376 176.117 0.119 0.000 1.182 146 I CA -0.114 61.232 61.300 0.076 0.000 1.388 146 I CB 0.687 38.718 38.000 0.052 0.000 1.390 146 I HN 0.015 nan 8.210 nan 0.000 0.600 147 D N 4.535 124.998 120.400 0.105 0.000 2.382 147 D HA 0.463 5.104 4.640 0.001 0.000 0.240 147 D C 0.329 176.770 176.300 0.235 0.000 1.146 147 D CA 1.136 55.211 54.000 0.125 0.000 0.897 147 D CB 0.908 41.761 40.800 0.088 0.000 1.197 147 D HN 0.948 nan 8.370 nan 0.000 0.432 148 G N 1.564 110.469 108.800 0.175 0.000 2.757 148 G HA2 -0.187 3.773 3.960 0.001 0.000 0.638 148 G HA3 -0.187 3.773 3.960 0.001 0.000 0.638 148 G C -0.781 174.117 174.900 -0.004 0.000 1.344 148 G CA -0.788 44.403 45.100 0.151 0.000 0.855 148 G HN 0.495 nan 8.290 nan 0.000 0.537 149 D N 0.958 121.139 120.400 -0.366 0.000 2.608 149 D HA 0.478 5.118 4.640 0.001 0.000 0.224 149 D C -0.026 175.819 176.300 -0.759 0.000 1.123 149 D CA 0.998 54.733 54.000 -0.441 0.000 1.030 149 D CB -0.534 40.039 40.800 -0.379 0.000 1.093 149 D HN 0.289 nan 8.370 nan 0.000 0.497 150 F N 0.332 120.326 119.950 0.073 0.000 2.626 150 F HA 0.403 4.931 4.527 0.001 0.000 0.311 150 F C -0.423 175.489 175.800 0.187 0.000 1.088 150 F CA -1.478 56.582 58.000 0.100 0.000 0.949 150 F CB 1.640 40.669 39.000 0.049 0.000 1.322 150 F HN -0.145 nan 8.300 nan 0.000 0.461 151 F N 1.979 122.078 119.950 0.250 0.000 2.403 151 F HA 0.670 5.198 4.527 0.001 0.000 0.355 151 F C -0.636 175.282 175.800 0.197 0.000 1.119 151 F CA -0.977 57.136 58.000 0.189 0.000 1.007 151 F CB 1.121 40.221 39.000 0.167 0.000 1.194 151 F HN 0.261 nan 8.300 nan 0.000 0.443 152 S N 6.461 122.075 115.700 -0.144 0.000 2.482 152 S HA 0.813 5.284 4.470 0.001 0.000 0.303 152 S C -1.433 172.979 174.600 -0.314 0.000 1.091 152 S CA -0.288 57.727 58.200 -0.308 0.000 1.057 152 S CB 0.725 63.844 63.200 -0.134 0.000 1.031 152 S HN 0.685 nan 8.310 nan 0.000 0.485 153 Y N -0.051 119.982 120.300 -0.446 0.000 2.638 153 Y HA 0.769 5.320 4.550 0.001 0.000 0.335 153 Y C -0.605 175.185 175.900 -0.184 0.000 1.155 153 Y CA -1.092 56.825 58.100 -0.305 0.000 1.046 153 Y CB 0.816 39.049 38.460 -0.379 0.000 1.303 153 Y HN 0.540 nan 8.280 nan 0.000 0.460 154 T N -0.363 114.261 114.554 0.118 0.000 2.887 154 T HA 0.747 5.097 4.350 0.001 0.000 0.288 154 T C -0.935 173.846 174.700 0.134 0.000 1.021 154 T CA -1.081 61.056 62.100 0.062 0.000 1.000 154 T CB 1.970 70.868 68.868 0.050 0.000 1.034 154 T HN 0.823 nan 8.240 nan 0.000 0.467 155 R N 0.881 121.464 120.500 0.140 0.000 2.445 155 R HA 0.365 4.706 4.340 0.001 0.000 0.308 155 R C -0.502 175.931 176.300 0.222 0.000 0.961 155 R CA -0.724 55.460 56.100 0.140 0.000 0.862 155 R CB 1.226 31.616 30.300 0.150 0.000 1.144 155 R HN 0.732 nan 8.270 nan 0.000 0.447 156 H N 2.216 121.310 119.070 0.039 0.000 2.741 156 H HA 0.132 4.688 4.556 0.001 0.000 0.282 156 H C -0.335 175.055 175.328 0.103 0.000 1.122 156 H CA -0.378 55.704 56.048 0.056 0.000 1.293 156 H CB 0.991 30.762 29.762 0.015 0.000 1.415 156 H HN 0.379 nan 8.280 nan 0.000 0.472 157 E N 4.262 124.585 120.200 0.205 0.000 2.250 157 E HA 0.235 4.586 4.350 0.001 0.000 0.265 157 E C -2.418 174.305 176.600 0.205 0.000 1.033 157 E CA -2.277 54.232 56.400 0.181 0.000 0.888 157 E CB 1.100 30.890 29.700 0.151 0.000 1.151 157 E HN 0.387 nan 8.360 nan 0.000 0.412 158 P HA -0.062 nan 4.420 nan 0.000 0.272 158 P C 0.457 177.900 177.300 0.239 0.000 1.223 158 P CA -0.040 63.239 63.100 0.298 0.000 0.784 158 P CB 0.677 32.681 31.700 0.507 0.000 0.923 159 V N 1.168 121.151 119.914 0.115 0.000 2.719 159 V HA 0.130 4.250 4.120 0.001 0.000 0.252 159 V C 1.081 177.123 176.094 -0.087 0.000 1.065 159 V CA 2.508 64.825 62.300 0.028 0.000 1.086 159 V CB -0.991 30.822 31.823 -0.017 0.000 0.700 159 V HN 0.978 nan 8.190 nan 0.000 0.467 160 G N -0.777 107.813 108.800 -0.350 0.000 2.390 160 G HA2 -0.142 3.818 3.960 0.001 0.000 0.202 160 G HA3 -0.142 3.818 3.960 0.001 0.000 0.202 160 G C -0.468 174.013 174.900 -0.697 0.000 1.210 160 G CA -0.200 44.335 45.100 -0.942 0.000 1.271 160 G HN 0.418 nan 8.290 nan 0.000 0.543 161 V N 1.258 120.920 119.914 -0.420 0.000 2.405 161 V HA 0.418 4.538 4.120 0.001 0.000 0.264 161 V C 0.405 176.417 176.094 -0.137 0.000 1.048 161 V CA -0.164 61.991 62.300 -0.242 0.000 0.966 161 V CB 0.239 31.955 31.823 -0.178 0.000 1.015 161 V HN 0.808 nan 8.190 nan 0.000 0.477 162 C N 4.702 123.954 119.300 -0.080 0.000 2.303 162 C HA 0.712 5.173 4.460 0.001 0.000 0.326 162 C C 1.006 176.002 174.990 0.010 0.000 1.285 162 C CA -0.913 58.108 59.018 0.004 0.000 1.675 162 C CB 0.465 28.284 27.740 0.132 0.000 2.289 162 C HN 0.984 nan 8.230 nan 0.000 0.512 163 G N 2.838 111.650 108.800 0.020 0.000 2.319 163 G HA2 0.534 4.494 3.960 0.001 0.000 0.308 163 G HA3 0.534 4.494 3.960 0.001 0.000 0.308 163 G C -0.842 174.100 174.900 0.070 0.000 1.117 163 G CA -0.150 44.969 45.100 0.032 0.000 0.903 163 G HN 0.807 nan 8.290 nan 0.000 0.436 164 Q N 1.848 121.689 119.800 0.068 0.000 2.339 164 Q HA 0.394 4.734 4.340 0.001 0.000 0.268 164 Q C -0.646 175.401 176.000 0.079 0.000 1.027 164 Q CA -0.372 55.481 55.803 0.083 0.000 0.759 164 Q CB 2.555 31.334 28.738 0.067 0.000 1.244 164 Q HN 0.527 nan 8.270 nan 0.000 0.464 165 I N 5.185 125.818 120.570 0.106 0.000 2.328 165 I HA 0.412 4.582 4.170 0.001 0.000 0.287 165 I C -0.041 176.074 176.117 -0.004 0.000 1.012 165 I CA -0.723 60.644 61.300 0.112 0.000 1.195 165 I CB 0.652 38.812 38.000 0.267 0.000 1.350 165 I HN 0.520 nan 8.210 nan 0.000 0.464 166 I N 5.588 126.145 120.570 -0.022 0.000 2.648 166 I HA 0.731 4.901 4.170 0.001 0.000 0.304 166 I C -2.577 173.477 176.117 -0.105 0.000 1.009 166 I CA -2.239 59.006 61.300 -0.091 0.000 1.114 166 I CB 1.989 39.961 38.000 -0.047 0.000 1.293 166 I HN 0.220 nan 8.210 nan 0.000 0.449 167 P HA 0.146 nan 4.420 nan 0.000 0.302 167 P C -0.153 177.041 177.300 -0.176 0.000 1.307 167 P CA -0.150 62.787 63.100 -0.272 0.000 0.754 167 P CB 0.583 32.009 31.700 -0.457 0.000 1.298 168 W N -0.026 121.273 121.300 -0.002 0.000 3.177 168 W HA 0.067 4.728 4.660 0.000 0.000 0.309 168 W C 0.882 177.334 176.519 -0.111 0.000 1.224 168 W CA 0.094 57.418 57.345 -0.035 0.000 1.718 168 W CB -1.501 27.947 29.460 -0.021 0.000 1.078 168 W HN 0.189 nan 8.180 nan 0.000 0.618 169 N N 2.202 120.699 118.700 -0.339 0.000 2.188 169 N HA -0.188 4.552 4.740 0.001 0.000 0.184 169 N C -0.065 174.972 175.510 -0.789 0.000 1.018 169 N CA 0.968 53.739 53.050 -0.465 0.000 0.858 169 N CB -1.155 36.940 38.487 -0.654 0.000 0.989 169 N HN 0.123 nan 8.380 nan 0.000 0.426 170 F N -0.489 119.349 119.950 -0.187 0.000 2.794 170 F HA 0.417 4.944 4.527 0.000 0.000 0.353 170 F C -1.833 173.851 175.800 -0.192 0.000 1.371 170 F CA -2.052 55.816 58.000 -0.219 0.000 1.173 170 F CB 2.092 40.880 39.000 -0.352 0.000 1.693 170 F HN -0.182 nan 8.300 nan 0.000 0.606 171 P HA -0.240 nan 4.420 nan 0.000 0.214 171 P C 1.921 179.212 177.300 -0.015 0.000 1.172 171 P CA 1.791 64.895 63.100 0.006 0.000 0.925 171 P CB 0.389 32.104 31.700 0.026 0.000 0.793 172 L N -2.085 119.131 121.223 -0.012 0.000 2.027 172 L HA -0.160 4.181 4.340 0.001 0.000 0.206 172 L C 2.471 179.290 176.870 -0.085 0.000 1.074 172 L CA 0.984 55.810 54.840 -0.022 0.000 0.745 172 L CB -0.969 41.090 42.059 -0.000 0.000 0.898 172 L HN -0.009 nan 8.230 nan 0.000 0.433 173 L N -0.660 120.471 121.223 -0.153 0.000 2.046 173 L HA -0.206 4.134 4.340 0.001 0.000 0.208 173 L C 2.489 179.021 176.870 -0.562 0.000 1.077 173 L CA 1.783 56.393 54.840 -0.383 0.000 0.747 173 L CB -0.386 41.344 42.059 -0.548 0.000 0.896 173 L HN 0.174 nan 8.230 nan 0.000 0.432 174 M N -1.124 118.235 119.600 -0.401 0.000 2.175 174 M HA -0.221 4.260 4.480 0.001 0.000 0.264 174 M C 2.259 178.503 176.300 -0.092 0.000 1.063 174 M CA 1.659 56.794 55.300 -0.276 0.000 1.119 174 M CB -0.998 31.508 32.600 -0.156 0.000 1.377 174 M HN 0.507 nan 8.290 nan 0.000 0.415 175 Q N 0.311 120.065 119.800 -0.076 0.000 2.050 175 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 175 Q C 2.051 178.044 176.000 -0.011 0.000 0.980 175 Q CA 2.080 57.863 55.803 -0.034 0.000 0.840 175 Q CB -0.056 28.663 28.738 -0.031 0.000 0.898 175 Q HN 0.462 nan 8.270 nan 0.000 0.424 176 A N 0.133 122.950 122.820 -0.005 0.000 1.902 176 A HA -0.186 4.134 4.320 0.001 0.000 0.217 176 A C 1.598 179.308 177.584 0.211 0.000 1.181 176 A CA 1.327 53.411 52.037 0.080 0.000 0.623 176 A CB -1.207 17.850 19.000 0.094 0.000 0.818 176 A HN 0.667 nan 8.150 nan 0.000 0.443 177 W N 0.344 121.644 121.300 -0.001 0.000 2.364 177 W HA -0.051 4.609 4.660 0.001 0.000 0.281 177 W C 2.026 178.502 176.519 -0.072 0.000 1.219 177 W CA 1.283 58.633 57.345 0.009 0.000 1.220 177 W CB -0.221 29.253 29.460 0.023 0.000 1.127 177 W HN 0.268 nan 8.180 nan 0.000 0.556 178 K N -0.489 119.992 120.400 0.134 0.000 2.168 178 K HA 0.112 4.432 4.320 0.001 0.000 0.201 178 K C 2.053 178.546 176.600 -0.179 0.000 1.049 178 K CA 0.556 56.841 56.287 -0.003 0.000 0.974 178 K CB -0.839 31.684 32.500 0.039 0.000 0.792 178 K HN 0.201 nan 8.250 nan 0.000 0.463 179 L N 0.435 121.581 121.223 -0.130 0.000 2.093 179 L HA -0.074 4.267 4.340 0.001 0.000 0.208 179 L C 2.435 179.177 176.870 -0.213 0.000 1.085 179 L CA 1.269 56.001 54.840 -0.181 0.000 0.755 179 L CB -1.011 40.959 42.059 -0.148 0.000 0.904 179 L HN 0.251 nan 8.230 nan 0.000 0.435 180 G N 1.421 110.106 108.800 -0.190 0.000 2.587 180 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 180 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 180 G C -0.518 174.004 174.900 -0.630 0.000 1.240 180 G CA 1.076 46.029 45.100 -0.246 0.000 0.794 180 G HN 0.307 nan 8.290 nan 0.000 0.580 181 P HA 0.003 nan 4.420 nan 0.000 0.217 181 P C 2.074 178.971 177.300 -0.672 0.000 1.151 181 P CA 1.967 64.500 63.100 -0.945 0.000 0.828 181 P CB -0.168 31.029 31.700 -0.837 0.000 0.788 182 A N 0.616 122.888 122.820 -0.914 0.000 1.883 182 A HA -0.153 4.167 4.320 0.001 0.000 0.217 182 A C 2.466 179.951 177.584 -0.164 0.000 1.186 182 A CA 1.638 53.239 52.037 -0.727 0.000 0.624 182 A CB -1.635 16.988 19.000 -0.628 0.000 0.822 182 A HN 0.126 nan 8.150 nan 0.000 0.444 183 L N -1.086 120.098 121.223 -0.066 0.000 2.109 183 L HA -0.107 4.233 4.340 0.001 0.000 0.207 183 L C 3.074 180.129 176.870 0.308 0.000 1.086 183 L CA 0.850 55.846 54.840 0.261 0.000 0.760 183 L CB -0.589 41.595 42.059 0.208 0.000 0.910 183 L HN 0.441 nan 8.230 nan 0.000 0.437 184 A N 0.318 123.221 122.820 0.139 0.000 1.940 184 A HA -0.201 4.120 4.320 0.001 0.000 0.219 184 A C 2.256 179.902 177.584 0.104 0.000 1.176 184 A CA 2.199 54.327 52.037 0.152 0.000 0.631 184 A CB -0.862 18.253 19.000 0.192 0.000 0.814 184 A HN 0.512 nan 8.150 nan 0.000 0.446 185 T N -4.314 110.282 114.554 0.069 0.000 3.129 185 T HA 0.408 4.758 4.350 0.001 0.000 0.251 185 T C 1.259 176.039 174.700 0.133 0.000 1.117 185 T CA 0.991 63.146 62.100 0.092 0.000 1.034 185 T CB -0.005 68.909 68.868 0.077 0.000 0.968 185 T HN 1.710 nan 8.240 nan 0.000 0.526 186 G N 1.493 110.387 108.800 0.157 0.000 2.136 186 G HA2 -0.237 3.724 3.960 0.001 0.000 0.242 186 G HA3 -0.237 3.724 3.960 0.001 0.000 0.242 186 G C -0.022 175.239 174.900 0.601 0.000 0.989 186 G CA -0.205 44.981 45.100 0.143 0.000 0.682 186 G HN 0.599 nan 8.290 nan 0.000 0.522 187 N N -0.585 118.419 118.700 0.506 0.000 2.364 187 N HA 0.586 5.326 4.740 0.001 0.000 0.264 187 N C 0.470 176.193 175.510 0.355 0.000 1.263 187 N CA 0.505 53.757 53.050 0.337 0.000 0.959 187 N CB 1.716 40.292 38.487 0.148 0.000 1.204 187 N HN 0.706 nan 8.380 nan 0.000 0.550 188 V N -2.132 117.810 119.914 0.047 0.000 2.864 188 V HA 0.726 4.846 4.120 0.001 0.000 0.314 188 V C -0.183 175.855 176.094 -0.094 0.000 1.073 188 V CA -0.758 61.506 62.300 -0.061 0.000 0.956 188 V CB 1.644 33.443 31.823 -0.041 0.000 1.023 188 V HN 0.253 nan 8.190 nan 0.000 0.435 189 V N 2.878 122.722 119.914 -0.117 0.000 2.735 189 V HA 0.615 4.736 4.120 0.001 0.000 0.310 189 V C -0.510 175.544 176.094 -0.068 0.000 1.061 189 V CA -0.558 61.691 62.300 -0.085 0.000 0.913 189 V CB 2.186 33.948 31.823 -0.102 0.000 1.005 189 V HN 0.792 nan 8.190 nan 0.000 0.428 190 V N 5.042 124.931 119.914 -0.041 0.000 2.340 190 V HA 0.424 4.544 4.120 0.001 0.000 0.277 190 V C -0.183 175.915 176.094 0.005 0.000 1.017 190 V CA -0.191 62.096 62.300 -0.021 0.000 0.820 190 V CB 1.298 33.100 31.823 -0.034 0.000 1.028 190 V HN 0.896 nan 8.190 nan 0.000 0.436 191 M N 4.703 124.310 119.600 0.011 0.000 2.264 191 M HA 0.543 5.023 4.480 0.001 0.000 0.352 191 M C -0.447 175.883 176.300 0.049 0.000 1.173 191 M CA -0.451 54.864 55.300 0.025 0.000 1.075 191 M CB 1.103 33.704 32.600 0.000 0.000 1.621 191 M HN 0.341 nan 8.290 nan 0.000 0.457 192 K N 5.499 125.935 120.400 0.060 0.000 2.389 192 K HA 0.359 4.679 4.320 0.001 0.000 0.261 192 K C -1.226 175.415 176.600 0.069 0.000 1.014 192 K CA -0.380 55.950 56.287 0.073 0.000 0.920 192 K CB 0.709 33.260 32.500 0.085 0.000 1.149 192 K HN 0.678 nan 8.250 nan 0.000 0.444 193 V N 0.952 120.911 119.914 0.074 0.000 2.953 193 V HA 0.605 4.725 4.120 0.001 0.000 0.304 193 V C 0.545 176.691 176.094 0.085 0.000 1.073 193 V CA -1.118 61.227 62.300 0.075 0.000 1.064 193 V CB 0.982 32.857 31.823 0.086 0.000 1.047 193 V HN 0.695 nan 8.190 nan 0.000 0.478 194 A N 2.870 125.752 122.820 0.103 0.000 2.511 194 A HA 0.264 4.585 4.320 0.001 0.000 0.242 194 A C 1.333 178.990 177.584 0.122 0.000 1.069 194 A CA 0.259 52.385 52.037 0.147 0.000 0.763 194 A CB 0.020 19.176 19.000 0.259 0.000 1.001 194 A HN 1.118 nan 8.150 nan 0.000 0.498 195 E N 2.118 122.335 120.200 0.030 0.000 2.265 195 E HA -0.257 4.093 4.350 0.001 0.000 0.196 195 E C 0.912 177.575 176.600 0.104 0.000 0.996 195 E CA 1.633 57.966 56.400 -0.110 0.000 0.832 195 E CB -0.215 29.186 29.700 -0.498 0.000 0.756 195 E HN 0.837 nan 8.360 nan 0.000 0.491 196 Q N 0.633 120.492 119.800 0.097 0.000 2.331 196 Q HA 0.029 4.369 4.340 0.001 0.000 0.203 196 Q C 0.585 176.633 176.000 0.081 0.000 0.944 196 Q CA 1.511 57.339 55.803 0.043 0.000 0.892 196 Q CB 0.637 29.283 28.738 -0.153 0.000 0.983 196 Q HN 0.433 nan 8.270 nan 0.000 0.482 197 T N -3.545 111.091 114.554 0.135 0.000 3.816 197 T HA 0.267 4.617 4.350 0.001 0.000 0.232 197 T C -2.483 172.284 174.700 0.112 0.000 1.125 197 T CA -1.175 60.991 62.100 0.110 0.000 1.609 197 T CB 0.997 69.936 68.868 0.119 0.000 0.805 197 T HN -0.056 nan 8.240 nan 0.000 0.647 198 P HA 0.216 nan 4.420 nan 0.000 0.239 198 P C 1.623 178.979 177.300 0.094 0.000 1.188 198 P CA -0.153 63.021 63.100 0.123 0.000 0.794 198 P CB 0.358 32.162 31.700 0.174 0.000 0.937 199 L N 0.621 121.883 121.223 0.065 0.000 1.970 199 L HA -0.179 4.162 4.340 0.001 0.000 0.212 199 L C 2.832 179.765 176.870 0.106 0.000 1.071 199 L CA 2.866 57.742 54.840 0.060 0.000 0.751 199 L CB -2.200 39.868 42.059 0.015 0.000 0.889 199 L HN 0.106 nan 8.230 nan 0.000 0.432 200 T N -1.931 112.672 114.554 0.081 0.000 2.720 200 T HA -0.186 4.164 4.350 0.001 0.000 0.268 200 T C 1.955 176.745 174.700 0.151 0.000 1.037 200 T CA 1.110 63.279 62.100 0.115 0.000 1.144 200 T CB -0.566 68.336 68.868 0.057 0.000 0.864 200 T HN 0.351 nan 8.240 nan 0.000 0.444 201 A N 1.773 124.654 122.820 0.100 0.000 1.933 201 A HA 0.129 4.450 4.320 0.001 0.000 0.218 201 A C 2.485 180.120 177.584 0.085 0.000 1.175 201 A CA 1.422 53.501 52.037 0.070 0.000 0.628 201 A CB -0.913 18.117 19.000 0.050 0.000 0.814 201 A HN 0.565 nan 8.150 nan 0.000 0.444 202 L N -2.339 118.976 121.223 0.153 0.000 2.093 202 L HA -0.180 4.160 4.340 0.001 0.000 0.208 202 L C 2.588 179.619 176.870 0.269 0.000 1.085 202 L CA 1.660 56.651 54.840 0.252 0.000 0.755 202 L CB -0.689 41.526 42.059 0.261 0.000 0.904 202 L HN 0.552 nan 8.230 nan 0.000 0.435 203 Y N 0.496 120.884 120.300 0.147 0.000 2.181 203 Y HA -0.213 4.337 4.550 0.000 0.000 0.288 203 Y C 2.414 178.389 175.900 0.125 0.000 1.146 203 Y CA 1.376 59.582 58.100 0.178 0.000 1.164 203 Y CB -0.273 38.343 38.460 0.260 0.000 0.982 203 Y HN -0.168 nan 8.280 nan 0.000 0.515 204 V N 0.269 120.208 119.914 0.042 0.000 2.490 204 V HA -0.329 3.791 4.120 0.001 0.000 0.250 204 V C 2.610 178.568 176.094 -0.225 0.000 1.061 204 V CA 1.637 63.894 62.300 -0.072 0.000 1.064 204 V CB -1.493 30.328 31.823 -0.005 0.000 0.670 204 V HN 0.563 nan 8.190 nan 0.000 0.461 205 A N 0.180 122.811 122.820 -0.317 0.000 1.972 205 A HA -0.258 4.062 4.320 0.001 0.000 0.219 205 A C 2.055 179.223 177.584 -0.694 0.000 1.169 205 A CA 2.151 53.716 52.037 -0.787 0.000 0.635 205 A CB -0.724 17.480 19.000 -1.326 0.000 0.810 205 A HN 0.590 nan 8.150 nan 0.000 0.446 206 N N -0.026 118.514 118.700 -0.267 0.000 2.142 206 N HA -0.037 4.704 4.740 0.001 0.000 0.186 206 N C 1.537 176.964 175.510 -0.139 0.000 1.023 206 N CA 1.259 54.277 53.050 -0.053 0.000 0.852 206 N CB -0.315 38.134 38.487 -0.063 0.000 0.998 206 N HN 0.480 nan 8.380 nan 0.000 0.424 207 L N -0.053 121.024 121.223 -0.243 0.000 2.093 207 L HA -0.082 4.258 4.340 0.001 0.000 0.208 207 L C 2.024 178.885 176.870 -0.014 0.000 1.085 207 L CA 0.738 55.501 54.840 -0.129 0.000 0.755 207 L CB -0.385 41.607 42.059 -0.111 0.000 0.904 207 L HN 0.222 nan 8.230 nan 0.000 0.435 208 I N 0.148 120.685 120.570 -0.055 0.000 2.226 208 I HA -0.326 3.844 4.170 0.001 0.000 0.245 208 I C 2.748 178.985 176.117 0.200 0.000 1.100 208 I CA 1.401 62.741 61.300 0.066 0.000 1.374 208 I CB -0.270 37.610 38.000 -0.201 0.000 1.057 208 I HN 0.259 nan 8.210 nan 0.000 0.413 209 K N 1.103 121.579 120.400 0.126 0.000 2.057 209 K HA -0.256 4.065 4.320 0.001 0.000 0.207 209 K C 2.107 178.778 176.600 0.117 0.000 1.049 209 K CA 1.705 58.098 56.287 0.176 0.000 0.931 209 K CB -0.113 32.516 32.500 0.214 0.000 0.714 209 K HN 0.265 nan 8.250 nan 0.000 0.440 210 E N -0.219 120.028 120.200 0.077 0.000 2.153 210 E HA -0.165 4.186 4.350 0.001 0.000 0.194 210 E C 1.673 178.304 176.600 0.052 0.000 0.988 210 E CA 0.875 57.306 56.400 0.050 0.000 0.811 210 E CB -0.063 29.648 29.700 0.018 0.000 0.746 210 E HN 0.462 nan 8.360 nan 0.000 0.466 211 A N -0.027 122.842 122.820 0.082 0.000 2.015 211 A HA 0.032 4.352 4.320 0.001 0.000 0.219 211 A C 1.895 179.460 177.584 -0.033 0.000 1.163 211 A CA 1.559 53.622 52.037 0.044 0.000 0.646 211 A CB -0.342 18.730 19.000 0.119 0.000 0.806 211 A HN 0.498 nan 8.150 nan 0.000 0.448 212 G N -3.031 105.780 108.800 0.018 0.000 2.192 212 G HA2 -0.151 3.809 3.960 0.001 0.000 0.193 212 G HA3 -0.151 3.809 3.960 0.001 0.000 0.193 212 G C 0.025 174.917 174.900 -0.013 0.000 0.999 212 G CA -0.241 44.854 45.100 -0.008 0.000 0.659 212 G HN 0.275 nan 8.290 nan 0.000 0.503 213 F N 2.056 122.027 119.950 0.035 0.000 2.608 213 F HA 0.368 4.895 4.527 0.001 0.000 0.380 213 F C -1.075 174.712 175.800 -0.021 0.000 1.083 213 F CA -0.940 57.054 58.000 -0.011 0.000 1.266 213 F CB 0.349 39.276 39.000 -0.122 0.000 1.076 213 F HN -0.081 nan 8.300 nan 0.000 0.574 214 P HA 0.018 nan 4.420 nan 0.000 0.268 214 P C -2.510 174.806 177.300 0.026 0.000 1.208 214 P CA -0.743 62.416 63.100 0.099 0.000 0.777 214 P CB 0.053 31.846 31.700 0.155 0.000 0.875 215 P HA 0.051 nan 4.420 nan 0.000 0.265 215 P C 0.954 178.215 177.300 -0.065 0.000 1.193 215 P CA 1.287 64.356 63.100 -0.052 0.000 0.765 215 P CB 0.107 31.778 31.700 -0.048 0.000 0.823 216 G N 1.429 110.167 108.800 -0.104 0.000 2.225 216 G HA2 -0.299 3.661 3.960 0.001 0.000 0.254 216 G HA3 -0.299 3.661 3.960 0.001 0.000 0.254 216 G C 0.974 175.798 174.900 -0.126 0.000 0.988 216 G CA 0.242 45.286 45.100 -0.093 0.000 0.625 216 G HN 0.398 nan 8.290 nan 0.000 0.527 217 V N -0.235 119.553 119.914 -0.208 0.000 2.427 217 V HA 0.128 4.248 4.120 0.001 0.000 0.248 217 V C 1.375 177.273 176.094 -0.327 0.000 1.051 217 V CA 1.919 63.971 62.300 -0.413 0.000 1.048 217 V CB 0.199 31.559 31.823 -0.773 0.000 0.666 217 V HN 0.392 nan 8.190 nan 0.000 0.456 218 V N 1.411 121.196 119.914 -0.215 0.000 2.577 218 V HA 0.499 4.619 4.120 0.001 0.000 0.303 218 V C -0.947 175.172 176.094 0.041 0.000 1.042 218 V CA -0.780 61.430 62.300 -0.151 0.000 0.872 218 V CB 1.946 33.611 31.823 -0.263 0.000 0.998 218 V HN 0.422 nan 8.190 nan 0.000 0.423 219 N N 5.163 123.883 118.700 0.033 0.000 2.352 219 N HA 0.627 5.368 4.740 0.001 0.000 0.291 219 N C -1.290 174.278 175.510 0.097 0.000 1.040 219 N CA -0.384 52.735 53.050 0.115 0.000 0.864 219 N CB 3.021 41.518 38.487 0.017 0.000 1.440 219 N HN 0.498 nan 8.380 nan 0.000 0.483 220 I N 1.504 122.171 120.570 0.163 0.000 2.406 220 I HA 0.339 4.509 4.170 0.001 0.000 0.290 220 I C -0.369 175.838 176.117 0.150 0.000 0.999 220 I CA -0.992 60.374 61.300 0.110 0.000 1.124 220 I CB 2.100 40.140 38.000 0.067 0.000 1.289 220 I HN 0.049 nan 8.210 nan 0.000 0.441 221 V N 8.133 128.120 119.914 0.121 0.000 2.284 221 V HA 0.300 4.421 4.120 0.001 0.000 0.274 221 V C -2.096 174.078 176.094 0.134 0.000 1.023 221 V CA -1.560 60.820 62.300 0.133 0.000 0.808 221 V CB 1.181 33.067 31.823 0.105 0.000 1.035 221 V HN 0.569 nan 8.190 nan 0.000 0.445 222 P HA 0.580 nan 4.420 nan 0.000 0.275 222 P C 0.129 177.534 177.300 0.176 0.000 1.228 222 P CA 0.431 63.646 63.100 0.192 0.000 0.786 222 P CB 2.142 33.986 31.700 0.240 0.000 0.927 223 G N 0.991 109.792 108.800 0.002 0.000 2.327 223 G HA2 0.313 4.273 3.960 0.001 0.000 0.291 223 G HA3 0.313 4.273 3.960 0.001 0.000 0.291 223 G C -1.597 172.960 174.900 -0.571 0.000 1.290 223 G CA -0.865 44.052 45.100 -0.305 0.000 0.857 223 G HN 0.260 nan 8.290 nan 0.000 0.520 224 F N 0.479 120.321 119.950 -0.179 0.000 2.370 224 F HA 0.524 5.052 4.527 0.001 0.000 0.319 224 F C 1.872 177.648 175.800 -0.040 0.000 1.129 224 F CA 0.602 58.511 58.000 -0.152 0.000 1.109 224 F CB 1.332 40.240 39.000 -0.155 0.000 1.262 224 F HN 0.647 nan 8.300 nan 0.000 0.534 225 G N 0.490 109.413 108.800 0.204 0.000 2.434 225 G HA2 -0.120 3.841 3.960 0.001 0.000 0.214 225 G HA3 -0.120 3.841 3.960 0.001 0.000 0.214 225 G C -0.963 174.001 174.900 0.107 0.000 1.202 225 G CA 0.528 45.714 45.100 0.143 0.000 0.788 225 G HN 0.475 nan 8.290 nan 0.000 0.539 226 P HA -0.030 nan 4.420 nan 0.000 0.226 226 P C 1.813 179.148 177.300 0.057 0.000 1.146 226 P CA 1.963 65.092 63.100 0.047 0.000 0.773 226 P CB 0.029 31.739 31.700 0.018 0.000 0.772 227 T N -3.982 110.629 114.554 0.096 0.000 3.395 227 T HA 0.256 4.606 4.350 0.001 0.000 0.230 227 T C 1.939 176.693 174.700 0.090 0.000 0.958 227 T CA 0.620 62.778 62.100 0.097 0.000 1.377 227 T CB -1.101 67.853 68.868 0.143 0.000 1.124 227 T HN -0.101 nan 8.240 nan 0.000 0.425 228 A N 1.684 124.564 122.820 0.101 0.000 1.873 228 A HA 0.294 4.614 4.320 0.001 0.000 0.215 228 A C 2.645 180.281 177.584 0.087 0.000 1.186 228 A CA 1.848 53.938 52.037 0.089 0.000 0.616 228 A CB -1.721 17.327 19.000 0.079 0.000 0.823 228 A HN 0.693 nan 8.150 nan 0.000 0.442 229 G N -0.389 108.466 108.800 0.092 0.000 2.459 229 G HA2 -0.023 3.937 3.960 0.001 0.000 0.217 229 G HA3 -0.023 3.937 3.960 0.001 0.000 0.217 229 G C 1.750 176.694 174.900 0.074 0.000 1.183 229 G CA 1.532 46.691 45.100 0.098 0.000 0.776 229 G HN 0.838 nan 8.290 nan 0.000 0.552 230 A N 0.928 123.781 122.820 0.055 0.000 2.019 230 A HA 0.333 4.653 4.320 0.001 0.000 0.219 230 A C 2.740 180.348 177.584 0.042 0.000 1.164 230 A CA 2.024 54.080 52.037 0.031 0.000 0.644 230 A CB -0.567 18.443 19.000 0.018 0.000 0.805 230 A HN 0.775 nan 8.150 nan 0.000 0.449 231 A N -0.042 122.814 122.820 0.060 0.000 1.969 231 A HA -0.016 4.304 4.320 0.001 0.000 0.218 231 A C 2.055 179.710 177.584 0.118 0.000 1.169 231 A CA 1.389 53.470 52.037 0.073 0.000 0.635 231 A CB -0.490 18.561 19.000 0.084 0.000 0.810 231 A HN 0.514 nan 8.150 nan 0.000 0.445 232 I N -0.501 120.134 120.570 0.107 0.000 2.233 232 I HA -0.182 3.989 4.170 0.001 0.000 0.243 232 I C 2.908 179.083 176.117 0.097 0.000 1.093 232 I CA 0.980 62.346 61.300 0.109 0.000 1.380 232 I CB -0.394 37.655 38.000 0.081 0.000 1.067 232 I HN 0.315 nan 8.210 nan 0.000 0.413 233 A N -0.029 122.831 122.820 0.066 0.000 2.019 233 A HA -0.132 4.188 4.320 0.001 0.000 0.219 233 A C 2.312 179.916 177.584 0.034 0.000 1.164 233 A CA 1.883 53.942 52.037 0.037 0.000 0.644 233 A CB -0.422 18.578 19.000 0.002 0.000 0.805 233 A HN 0.395 nan 8.150 nan 0.000 0.449 234 S N -1.116 114.609 115.700 0.042 0.000 2.556 234 S HA 0.083 4.554 4.470 0.001 0.000 0.216 234 S C 0.588 175.210 174.600 0.035 0.000 0.970 234 S CA -0.546 57.667 58.200 0.021 0.000 0.912 234 S CB -0.213 62.984 63.200 -0.005 0.000 0.790 234 S HN 0.675 nan 8.310 nan 0.000 0.504 235 H N 2.928 121.998 119.070 0.001 0.000 2.964 235 H HA 0.079 4.635 4.556 0.001 0.000 0.328 235 H C 0.965 176.293 175.328 -0.000 0.000 1.030 235 H CA 0.566 56.615 56.048 0.003 0.000 1.445 235 H CB 0.610 30.375 29.762 0.006 0.000 1.449 235 H HN 0.144 nan 8.280 nan 0.000 0.581 236 E N 2.922 123.202 120.200 0.133 0.000 2.347 236 E HA -0.127 4.223 4.350 0.001 0.000 0.196 236 E C 0.582 177.314 176.600 0.220 0.000 1.008 236 E CA 0.769 57.251 56.400 0.137 0.000 0.852 236 E CB 0.284 30.003 29.700 0.031 0.000 0.783 236 E HN 0.576 nan 8.360 nan 0.000 0.505 237 D N -0.222 120.437 120.400 0.430 0.000 2.462 237 D HA 0.054 4.695 4.640 0.001 0.000 0.221 237 D C -0.750 175.532 176.300 -0.030 0.000 1.173 237 D CA -0.049 54.030 54.000 0.132 0.000 0.831 237 D CB 0.585 41.446 40.800 0.101 0.000 1.001 237 D HN -0.213 nan 8.370 nan 0.000 0.499 238 V N 1.579 121.488 119.914 -0.009 0.000 2.370 238 V HA 0.156 4.277 4.120 0.001 0.000 0.279 238 V C 0.917 176.996 176.094 -0.024 0.000 1.029 238 V CA -0.497 61.766 62.300 -0.061 0.000 0.870 238 V CB 1.796 33.594 31.823 -0.042 0.000 0.984 238 V HN 0.056 nan 8.190 nan 0.000 0.451 239 D N 3.138 123.506 120.400 -0.053 0.000 2.234 239 D HA 0.019 4.659 4.640 0.001 0.000 0.205 239 D C 0.758 177.030 176.300 -0.047 0.000 0.962 239 D CA 1.005 54.978 54.000 -0.046 0.000 0.855 239 D CB 0.711 41.469 40.800 -0.070 0.000 0.951 239 D HN 0.481 nan 8.370 nan 0.000 0.500 240 K N 0.231 120.601 120.400 -0.050 0.000 2.546 240 K HA 0.381 4.701 4.320 0.001 0.000 0.264 240 K C -2.130 174.455 176.600 -0.025 0.000 0.937 240 K CA -0.560 55.694 56.287 -0.056 0.000 0.833 240 K CB 3.059 35.495 32.500 -0.107 0.000 1.378 240 K HN -0.219 nan 8.250 nan 0.000 0.432 241 V N 2.388 122.293 119.914 -0.014 0.000 2.525 241 V HA 0.722 4.843 4.120 0.001 0.000 0.299 241 V C -1.245 174.878 176.094 0.048 0.000 1.034 241 V CA -0.410 61.908 62.300 0.031 0.000 0.863 241 V CB 1.487 33.335 31.823 0.041 0.000 0.999 241 V HN 0.884 nan 8.190 nan 0.000 0.423 242 A N 6.567 129.440 122.820 0.089 0.000 2.303 242 A HA 0.850 5.170 4.320 0.001 0.000 0.320 242 A C -1.204 176.493 177.584 0.188 0.000 1.192 242 A CA -0.414 51.691 52.037 0.114 0.000 0.821 242 A CB 0.839 19.916 19.000 0.127 0.000 1.188 242 A HN 1.012 nan 8.150 nan 0.000 0.492 243 F N 1.918 121.888 119.950 0.035 0.000 2.546 243 F HA 0.735 5.262 4.527 0.001 0.000 0.320 243 F C -0.358 175.469 175.800 0.045 0.000 1.076 243 F CA -0.126 57.896 58.000 0.036 0.000 0.928 243 F CB 2.422 41.436 39.000 0.022 0.000 1.189 243 F HN 0.399 nan 8.300 nan 0.000 0.465 244 T N 4.235 118.152 114.554 -1.062 0.000 2.965 244 T HA 0.725 5.075 4.350 0.001 0.000 0.306 244 T C -0.233 173.800 174.700 -1.112 0.000 0.991 244 T CA -0.301 61.352 62.100 -0.745 0.000 1.001 244 T CB 0.951 69.650 68.868 -0.282 0.000 0.984 244 T HN 1.126 nan 8.240 nan 0.000 0.446 245 G N 1.972 110.287 108.800 -0.808 0.000 2.441 245 G HA2 0.497 4.457 3.960 0.001 0.000 0.225 245 G HA3 0.497 4.457 3.960 0.001 0.000 0.225 245 G C -0.625 174.286 174.900 0.018 0.000 1.200 245 G CA -0.235 44.628 45.100 -0.395 0.000 0.947 245 G HN 0.894 nan 8.290 nan 0.000 0.484 246 S N -0.319 115.481 115.700 0.167 0.000 2.585 246 S HA 0.426 4.896 4.470 0.001 0.000 0.273 246 S C 1.287 176.019 174.600 0.221 0.000 1.339 246 S CA 1.000 59.273 58.200 0.122 0.000 1.028 246 S CB 1.334 64.582 63.200 0.079 0.000 0.906 246 S HN 0.744 nan 8.310 nan 0.000 0.528 247 T N 1.756 116.414 114.554 0.173 0.000 2.788 247 T HA -0.110 4.241 4.350 0.001 0.000 0.268 247 T C 1.604 176.349 174.700 0.075 0.000 1.044 247 T CA 1.724 63.919 62.100 0.159 0.000 1.139 247 T CB -0.438 68.541 68.868 0.186 0.000 0.867 247 T HN 0.766 nan 8.240 nan 0.000 0.454 248 E N 0.378 120.617 120.200 0.065 0.000 2.033 248 E HA -0.139 4.211 4.350 0.001 0.000 0.199 248 E C 2.111 178.691 176.600 -0.034 0.000 1.011 248 E CA 1.140 57.551 56.400 0.019 0.000 0.815 248 E CB -0.117 29.603 29.700 0.033 0.000 0.755 248 E HN 0.321 nan 8.360 nan 0.000 0.451 249 I N 0.442 120.987 120.570 -0.041 0.000 2.439 249 I HA -0.106 4.064 4.170 0.001 0.000 0.251 249 I C 2.480 178.317 176.117 -0.468 0.000 1.139 249 I CA 1.117 62.298 61.300 -0.199 0.000 1.438 249 I CB -1.687 36.240 38.000 -0.120 0.000 1.085 249 I HN 0.138 nan 8.210 nan 0.000 0.427 250 G N 1.152 109.736 108.800 -0.360 0.000 2.450 250 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 250 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 250 G C 1.889 176.661 174.900 -0.213 0.000 1.130 250 G CA 0.429 45.324 45.100 -0.341 0.000 0.760 250 G HN 0.356 nan 8.290 nan 0.000 0.557 251 R N -0.290 120.128 120.500 -0.137 0.000 2.090 251 R HA 0.070 4.410 4.340 0.001 0.000 0.228 251 R C 2.605 178.836 176.300 -0.116 0.000 1.110 251 R CA 0.853 56.895 56.100 -0.096 0.000 0.973 251 R CB -0.446 29.817 30.300 -0.062 0.000 0.869 251 R HN 0.287 nan 8.270 nan 0.000 0.440 252 V N 1.696 121.522 119.914 -0.147 0.000 2.343 252 V HA -0.246 3.874 4.120 0.001 0.000 0.247 252 V C 2.336 178.342 176.094 -0.147 0.000 1.051 252 V CA 1.510 63.731 62.300 -0.131 0.000 1.036 252 V CB -0.443 31.301 31.823 -0.132 0.000 0.654 252 V HN 0.235 nan 8.190 nan 0.000 0.451 253 I N 0.129 120.559 120.570 -0.234 0.000 2.163 253 I HA -0.293 3.878 4.170 0.001 0.000 0.243 253 I C 2.602 178.649 176.117 -0.116 0.000 1.085 253 I CA 2.129 63.306 61.300 -0.205 0.000 1.347 253 I CB -1.198 36.602 38.000 -0.335 0.000 1.044 253 I HN 0.417 nan 8.210 nan 0.000 0.408 254 Q N 0.977 120.711 119.800 -0.109 0.000 2.096 254 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 254 Q C 2.226 178.194 176.000 -0.055 0.000 0.982 254 Q CA 1.819 57.582 55.803 -0.066 0.000 0.850 254 Q CB -0.164 28.539 28.738 -0.057 0.000 0.901 254 Q HN 0.318 nan 8.270 nan 0.000 0.422 255 V N 0.563 120.441 119.914 -0.060 0.000 2.358 255 V HA -0.236 3.885 4.120 0.001 0.000 0.246 255 V C 2.265 178.334 176.094 -0.042 0.000 1.047 255 V CA 1.700 63.971 62.300 -0.048 0.000 1.035 255 V CB -1.114 30.680 31.823 -0.049 0.000 0.658 255 V HN 0.551 nan 8.190 nan 0.000 0.452 256 A N -0.189 122.602 122.820 -0.047 0.000 1.972 256 A HA -0.070 4.251 4.320 0.001 0.000 0.219 256 A C 2.358 179.927 177.584 -0.025 0.000 1.169 256 A CA 1.939 53.955 52.037 -0.035 0.000 0.635 256 A CB -0.558 18.420 19.000 -0.038 0.000 0.810 256 A HN 0.562 nan 8.150 nan 0.000 0.446 257 A N -0.673 122.130 122.820 -0.028 0.000 1.929 257 A HA 0.235 4.555 4.320 0.001 0.000 0.216 257 A C 2.317 179.890 177.584 -0.018 0.000 1.176 257 A CA 1.575 53.601 52.037 -0.019 0.000 0.628 257 A CB -1.092 17.895 19.000 -0.022 0.000 0.816 257 A HN 0.674 nan 8.150 nan 0.000 0.444 258 G N -1.430 107.356 108.800 -0.023 0.000 2.511 258 G HA2 -0.031 3.929 3.960 0.001 0.000 0.217 258 G HA3 -0.031 3.929 3.960 0.001 0.000 0.217 258 G C 1.687 176.576 174.900 -0.019 0.000 1.133 258 G CA 1.171 46.258 45.100 -0.022 0.000 0.792 258 G HN 0.486 nan 8.290 nan 0.000 0.539 259 S N -0.146 115.542 115.700 -0.020 0.000 2.496 259 S HA 0.035 4.505 4.470 0.001 0.000 0.224 259 S C 2.378 176.968 174.600 -0.016 0.000 0.996 259 S CA 1.234 59.423 58.200 -0.019 0.000 0.927 259 S CB -0.077 63.110 63.200 -0.022 0.000 0.774 259 S HN 0.577 nan 8.310 nan 0.000 0.524 260 S N 2.379 118.072 115.700 -0.012 0.000 2.755 260 S HA 0.130 4.600 4.470 0.001 0.000 0.165 260 S C 0.957 175.557 174.600 -0.001 0.000 0.723 260 S CA 0.338 58.534 58.200 -0.006 0.000 0.867 260 S CB -0.565 62.636 63.200 0.001 0.000 0.740 260 S HN 0.560 nan 8.310 nan 0.000 0.568 261 N N 1.189 119.893 118.700 0.007 0.000 2.238 261 N HA 0.258 4.998 4.740 0.001 0.000 0.235 261 N C 0.078 175.590 175.510 0.002 0.000 1.209 261 N CA -0.085 52.970 53.050 0.009 0.000 0.879 261 N CB -0.329 38.173 38.487 0.024 0.000 1.136 261 N HN 0.608 nan 8.380 nan 0.000 0.517 262 L N -0.131 121.089 121.223 -0.005 0.000 3.843 262 L HA -0.294 4.046 4.340 0.001 0.000 0.411 262 L C 0.011 176.873 176.870 -0.013 0.000 1.205 262 L CA 0.678 55.511 54.840 -0.011 0.000 0.945 262 L CB -1.715 40.337 42.059 -0.011 0.000 1.929 262 L HN 0.445 nan 8.230 nan 0.000 0.934 263 K N 0.404 120.797 120.400 -0.010 0.000 2.336 263 K HA 0.433 4.753 4.320 0.001 0.000 0.262 263 K C 0.348 176.931 176.600 -0.028 0.000 0.992 263 K CA -0.610 55.667 56.287 -0.016 0.000 0.927 263 K CB 0.558 33.053 32.500 -0.007 0.000 0.956 263 K HN 0.144 nan 8.250 nan 0.000 0.495 264 R N 0.784 121.259 120.500 -0.043 0.000 2.594 264 R HA 0.230 4.570 4.340 0.001 0.000 0.272 264 R C -0.616 175.651 176.300 -0.054 0.000 1.074 264 R CA -0.563 55.502 56.100 -0.058 0.000 1.105 264 R CB 0.806 31.054 30.300 -0.087 0.000 1.008 264 R HN 0.384 nan 8.270 nan 0.000 0.472 265 V N 1.380 121.265 119.914 -0.050 0.000 2.686 265 V HA 0.334 4.455 4.120 0.001 0.000 0.306 265 V C -0.339 175.738 176.094 -0.028 0.000 1.065 265 V CA -0.867 61.416 62.300 -0.029 0.000 0.894 265 V CB 2.155 33.967 31.823 -0.018 0.000 1.004 265 V HN 0.986 nan 8.190 nan 0.000 0.424 266 T N 2.848 117.397 114.554 -0.008 0.000 2.848 266 T HA 0.840 5.191 4.350 0.001 0.000 0.285 266 T C -0.938 173.808 174.700 0.076 0.000 0.995 266 T CA -0.639 61.463 62.100 0.004 0.000 0.970 266 T CB 1.478 70.325 68.868 -0.036 0.000 0.976 266 T HN 0.375 nan 8.240 nan 0.000 0.441 267 L N 2.345 123.619 121.223 0.084 0.000 2.341 267 L HA 0.594 4.934 4.340 0.001 0.000 0.278 267 L C 0.123 177.059 176.870 0.110 0.000 1.005 267 L CA -0.801 54.136 54.840 0.163 0.000 0.818 267 L CB 1.969 44.124 42.059 0.160 0.000 1.259 267 L HN 0.634 nan 8.230 nan 0.000 0.418 268 E N 4.850 125.115 120.200 0.110 0.000 2.751 268 E HA 0.366 4.716 4.350 0.001 0.000 0.219 268 E C -0.808 175.820 176.600 0.046 0.000 1.060 268 E CA -0.315 56.111 56.400 0.043 0.000 0.893 268 E CB 0.592 30.316 29.700 0.041 0.000 1.300 268 E HN 0.488 nan 8.360 nan 0.000 0.433 269 L N 0.219 121.498 121.223 0.094 0.000 2.488 269 L HA 0.535 4.875 4.340 0.001 0.000 0.249 269 L C 1.497 178.405 176.870 0.063 0.000 1.151 269 L CA -0.765 54.148 54.840 0.121 0.000 0.806 269 L CB 0.269 42.448 42.059 0.201 0.000 1.261 269 L HN 0.282 nan 8.230 nan 0.000 0.484 270 G N -1.233 107.569 108.800 0.003 0.000 2.485 270 G HA2 0.552 4.512 3.960 0.001 0.000 0.260 270 G HA3 0.552 4.512 3.960 0.001 0.000 0.260 270 G C -0.277 174.403 174.900 -0.367 0.000 1.459 270 G CA 0.184 45.200 45.100 -0.140 0.000 1.060 270 G HN 0.909 nan 8.290 nan 0.000 0.546 271 G N -2.305 106.127 108.800 -0.614 0.000 2.550 271 G HA2 0.465 4.426 3.960 0.001 0.000 0.293 271 G HA3 0.465 4.426 3.960 0.001 0.000 0.293 271 G C -1.408 173.214 174.900 -0.464 0.000 1.402 271 G CA -0.492 44.192 45.100 -0.693 0.000 0.784 271 G HN 0.541 nan 8.290 nan 0.000 0.482 272 K N 0.653 120.983 120.400 -0.116 0.000 3.206 272 K HA 0.467 4.788 4.320 0.001 0.000 0.180 272 K C 0.148 176.826 176.600 0.130 0.000 1.088 272 K CA -0.370 55.943 56.287 0.042 0.000 0.872 272 K CB 0.089 32.693 32.500 0.173 0.000 0.976 272 K HN 0.418 nan 8.250 nan 0.000 0.564 273 S N 3.756 119.543 115.700 0.144 0.000 2.596 273 S HA 0.059 4.529 4.470 0.001 0.000 0.298 273 S C -2.294 172.464 174.600 0.262 0.000 1.255 273 S CA -0.442 57.891 58.200 0.221 0.000 1.083 273 S CB 0.111 63.502 63.200 0.318 0.000 0.837 273 S HN 0.371 nan 8.310 nan 0.000 0.499 274 P HA 0.171 nan 4.420 nan 0.000 0.287 274 P C -0.988 176.537 177.300 0.376 0.000 1.281 274 P CA -0.533 62.786 63.100 0.366 0.000 0.781 274 P CB 0.439 32.339 31.700 0.334 0.000 0.903 275 N N 3.972 122.896 118.700 0.374 0.000 2.558 275 N HA 0.299 5.039 4.740 0.001 0.000 0.242 275 N C -0.597 175.107 175.510 0.323 0.000 0.979 275 N CA -0.635 52.638 53.050 0.371 0.000 0.931 275 N CB 0.411 39.034 38.487 0.226 0.000 1.122 275 N HN 0.310 nan 8.380 nan 0.000 0.508 276 I N 4.762 125.518 120.570 0.309 0.000 2.312 276 I HA 0.237 4.407 4.170 0.001 0.000 0.291 276 I C -0.070 176.222 176.117 0.291 0.000 1.031 276 I CA -0.541 60.898 61.300 0.231 0.000 1.293 276 I CB 0.817 38.846 38.000 0.049 0.000 1.403 276 I HN 0.368 nan 8.210 nan 0.000 0.484 277 I N 7.108 127.827 120.570 0.249 0.000 2.330 277 I HA 0.303 4.474 4.170 0.001 0.000 0.286 277 I C 0.248 176.517 176.117 0.253 0.000 1.025 277 I CA -0.490 60.907 61.300 0.162 0.000 1.197 277 I CB 0.928 38.786 38.000 -0.236 0.000 1.358 277 I HN 0.481 nan 8.210 nan 0.000 0.467 278 M N 3.825 123.591 119.600 0.278 0.000 2.228 278 M HA 0.124 4.604 4.480 0.001 0.000 0.326 278 M C 1.701 178.078 176.300 0.127 0.000 1.122 278 M CA 0.026 55.471 55.300 0.242 0.000 1.161 278 M CB 0.676 33.410 32.600 0.224 0.000 1.437 278 M HN 0.672 nan 8.290 nan 0.000 0.465 279 S N 0.355 116.095 115.700 0.066 0.000 2.419 279 S HA -0.167 4.303 4.470 0.001 0.000 0.233 279 S C 0.784 175.426 174.600 0.070 0.000 1.016 279 S CA 1.406 59.630 58.200 0.039 0.000 0.974 279 S CB -0.585 62.617 63.200 0.002 0.000 0.786 279 S HN 0.754 nan 8.310 nan 0.000 0.492 280 D N 1.700 122.153 120.400 0.087 0.000 2.328 280 D HA 0.416 5.057 4.640 0.001 0.000 0.221 280 D C 0.582 176.955 176.300 0.122 0.000 1.072 280 D CA 0.164 54.218 54.000 0.090 0.000 0.850 280 D CB -0.267 40.578 40.800 0.075 0.000 0.922 280 D HN 0.551 nan 8.370 nan 0.000 0.516 281 A N 0.419 123.335 122.820 0.159 0.000 2.366 281 A HA 0.251 4.572 4.320 0.001 0.000 0.249 281 A C 0.112 177.828 177.584 0.221 0.000 1.084 281 A CA -0.406 51.767 52.037 0.228 0.000 0.794 281 A CB 0.186 19.365 19.000 0.299 0.000 1.034 281 A HN 0.142 nan 8.150 nan 0.000 0.491 282 D N 1.842 122.408 120.400 0.277 0.000 2.348 282 D HA 0.139 4.779 4.640 0.001 0.000 0.259 282 D C 1.050 177.521 176.300 0.285 0.000 1.296 282 D CA -0.153 54.001 54.000 0.256 0.000 0.931 282 D CB 0.261 41.227 40.800 0.277 0.000 1.067 282 D HN 0.414 nan 8.370 nan 0.000 0.503 283 M N 3.543 123.267 119.600 0.208 0.000 2.110 283 M HA -0.232 4.248 4.480 0.001 0.000 0.257 283 M C 1.105 177.516 176.300 0.184 0.000 1.071 283 M CA 1.856 57.273 55.300 0.194 0.000 1.096 283 M CB -0.390 32.295 32.600 0.142 0.000 1.300 283 M HN 0.391 nan 8.290 nan 0.000 0.411 284 D N -1.124 119.378 120.400 0.169 0.000 2.116 284 D HA -0.259 4.381 4.640 0.001 0.000 0.193 284 D C 1.883 178.308 176.300 0.209 0.000 0.998 284 D CA 1.601 55.691 54.000 0.151 0.000 0.836 284 D CB -0.767 40.121 40.800 0.148 0.000 0.951 284 D HN 0.671 nan 8.370 nan 0.000 0.449 285 W N 1.620 122.974 121.300 0.090 0.000 2.379 285 W HA -0.150 4.510 4.660 0.000 0.000 0.307 285 W C 2.207 178.794 176.519 0.114 0.000 1.200 285 W CA 1.517 58.938 57.345 0.127 0.000 1.297 285 W CB -0.044 29.528 29.460 0.187 0.000 1.140 285 W HN -0.035 nan 8.180 nan 0.000 0.507 286 A N 0.274 123.170 122.820 0.128 0.000 1.933 286 A HA -0.180 4.140 4.320 0.001 0.000 0.218 286 A C 2.015 179.521 177.584 -0.129 0.000 1.175 286 A CA 2.157 54.051 52.037 -0.239 0.000 0.628 286 A CB -1.106 17.891 19.000 -0.005 0.000 0.814 286 A HN 0.154 nan 8.150 nan 0.000 0.444 287 V N -0.171 119.769 119.914 0.043 0.000 2.307 287 V HA -0.206 3.914 4.120 0.001 0.000 0.245 287 V C 2.586 178.600 176.094 -0.134 0.000 1.045 287 V CA 2.334 64.580 62.300 -0.090 0.000 1.024 287 V CB -0.652 31.045 31.823 -0.211 0.000 0.651 287 V HN 0.698 nan 8.190 nan 0.000 0.449 288 E N -0.052 120.057 120.200 -0.151 0.000 2.106 288 E HA -0.199 4.152 4.350 0.001 0.000 0.192 288 E C 2.268 178.761 176.600 -0.178 0.000 0.984 288 E CA 1.259 57.569 56.400 -0.150 0.000 0.806 288 E CB -0.177 29.425 29.700 -0.163 0.000 0.750 288 E HN 0.488 nan 8.360 nan 0.000 0.458 289 Q N -0.409 119.148 119.800 -0.405 0.000 2.123 289 Q HA 0.047 4.387 4.340 0.001 0.000 0.199 289 Q C 2.123 178.005 176.000 -0.197 0.000 0.966 289 Q CA 1.298 56.875 55.803 -0.377 0.000 0.845 289 Q CB -0.366 28.047 28.738 -0.541 0.000 0.907 289 Q HN 0.381 nan 8.270 nan 0.000 0.439 290 A N 0.168 122.850 122.820 -0.231 0.000 1.930 290 A HA -0.221 4.099 4.320 0.001 0.000 0.217 290 A C 1.917 179.498 177.584 -0.004 0.000 1.175 290 A CA 1.856 53.824 52.037 -0.115 0.000 0.627 290 A CB -0.677 18.402 19.000 0.131 0.000 0.815 290 A HN 0.447 nan 8.150 nan 0.000 0.443 291 H N -1.598 117.471 119.070 -0.002 0.000 2.326 291 H HA -0.114 4.443 4.556 0.001 0.000 0.301 291 H C 1.687 177.154 175.328 0.232 0.000 1.081 291 H CA 2.112 58.259 56.048 0.165 0.000 1.334 291 H CB -0.419 29.379 29.762 0.061 0.000 1.385 291 H HN 0.449 nan 8.280 nan 0.000 0.504 292 F N 0.836 120.783 119.950 -0.006 0.000 2.134 292 F HA -0.110 4.417 4.527 0.001 0.000 0.299 292 F C 2.515 178.250 175.800 -0.108 0.000 1.097 292 F CA 1.459 59.436 58.000 -0.039 0.000 1.264 292 F CB -0.745 38.209 39.000 -0.077 0.000 1.001 292 F HN 0.281 nan 8.300 nan 0.000 0.479 293 A N 0.221 122.946 122.820 -0.158 0.000 1.986 293 A HA -0.209 4.111 4.320 0.001 0.000 0.220 293 A C 2.156 179.447 177.584 -0.488 0.000 1.171 293 A CA 2.195 53.864 52.037 -0.614 0.000 0.640 293 A CB -0.987 17.287 19.000 -1.210 0.000 0.811 293 A HN 0.620 nan 8.150 nan 0.000 0.451 294 L N -3.272 117.712 121.223 -0.399 0.000 2.349 294 L HA 0.295 4.635 4.340 0.001 0.000 0.200 294 L C 2.019 178.588 176.870 -0.502 0.000 1.064 294 L CA 0.624 55.190 54.840 -0.457 0.000 0.821 294 L CB 0.006 41.710 42.059 -0.593 0.000 1.027 294 L HN 0.272 nan 8.230 nan 0.000 0.476 295 F N -0.356 119.400 119.950 -0.323 0.000 2.502 295 F HA -0.058 4.469 4.527 0.001 0.000 0.298 295 F C 1.018 176.654 175.800 -0.273 0.000 1.111 295 F CA 0.231 58.042 58.000 -0.316 0.000 1.445 295 F CB -0.438 38.280 39.000 -0.470 0.000 1.081 295 F HN -0.041 nan 8.300 nan 0.000 0.558 296 F N 2.207 121.944 119.950 -0.355 0.000 2.623 296 F HA -0.080 4.447 4.527 0.000 0.000 0.383 296 F C 1.188 176.839 175.800 -0.249 0.000 1.077 296 F CA -0.040 57.706 58.000 -0.424 0.000 1.268 296 F CB 0.042 38.509 39.000 -0.888 0.000 1.053 296 F HN 0.118 nan 8.300 nan 0.000 0.571 297 N N 3.567 121.629 118.700 -1.064 0.000 2.725 297 N HA -0.302 4.439 4.740 0.001 0.000 0.251 297 N C -0.019 175.200 175.510 -0.485 0.000 1.031 297 N CA 1.342 53.869 53.050 -0.871 0.000 0.720 297 N CB -0.949 36.898 38.487 -1.066 0.000 0.930 297 N HN 0.783 nan 8.380 nan 0.000 0.543 298 Q N -2.153 117.467 119.800 -0.300 0.000 2.468 298 Q HA -0.188 4.152 4.340 0.001 0.000 0.256 298 Q C 1.271 177.162 176.000 -0.182 0.000 0.984 298 Q CA 2.271 57.974 55.803 -0.167 0.000 1.110 298 Q CB -1.811 26.833 28.738 -0.156 0.000 1.527 298 Q HN 1.209 nan 8.270 nan 0.000 0.535 299 G N -1.143 107.505 108.800 -0.253 0.000 2.184 299 G HA2 -0.400 3.561 3.960 0.001 0.000 0.264 299 G HA3 -0.400 3.561 3.960 0.001 0.000 0.264 299 G C 0.158 174.783 174.900 -0.457 0.000 0.975 299 G CA 0.398 45.321 45.100 -0.295 0.000 0.642 299 G HN 0.453 nan 8.290 nan 0.000 0.536 300 Q N 0.066 119.535 119.800 -0.552 0.000 3.184 300 Q HA 0.467 4.807 4.340 0.001 0.000 0.288 300 Q C -0.066 175.362 176.000 -0.953 0.000 1.412 300 Q CA 0.007 55.219 55.803 -0.986 0.000 0.991 300 Q CB 0.410 28.895 28.738 -0.421 0.000 1.688 300 Q HN 0.367 nan 8.270 nan 0.000 0.554 301 C N 0.201 119.030 119.300 -0.785 0.000 2.431 301 C HA 0.287 4.747 4.460 0.001 0.000 0.321 301 C C 1.936 176.971 174.990 0.075 0.000 1.202 301 C CA -0.858 58.083 59.018 -0.129 0.000 1.398 301 C CB 0.138 27.945 27.740 0.113 0.000 2.047 301 C HN 0.979 nan 8.230 nan 0.000 0.465 302 C N 1.878 121.380 119.300 0.336 0.000 2.411 302 C HA -0.043 4.417 4.460 0.001 0.000 0.279 302 C C 1.804 177.011 174.990 0.363 0.000 1.288 302 C CA 1.380 60.656 59.018 0.430 0.000 1.764 302 C CB -2.378 25.583 27.740 0.368 0.000 1.974 302 C HN 1.005 nan 8.230 nan 0.000 0.498 303 C N 1.087 120.660 119.300 0.455 0.000 2.548 303 C HA 0.771 5.231 4.460 0.001 0.000 0.297 303 C C 1.153 176.454 174.990 0.517 0.000 1.422 303 C CA -0.818 58.499 59.018 0.500 0.000 1.785 303 C CB -2.371 25.803 27.740 0.724 0.000 2.593 303 C HN 0.748 nan 8.230 nan 0.000 0.545 304 A N 0.917 123.932 122.820 0.325 0.000 2.498 304 A HA 0.487 4.808 4.320 0.001 0.000 0.239 304 A C 1.111 178.801 177.584 0.177 0.000 1.068 304 A CA 0.747 52.899 52.037 0.191 0.000 0.766 304 A CB -0.038 18.962 19.000 -0.001 0.000 1.003 304 A HN 1.238 nan 8.150 nan 0.000 0.497 305 G N 1.487 110.282 108.800 -0.008 0.000 3.008 305 G HA2 0.330 4.290 3.960 0.001 0.000 0.272 305 G HA3 0.330 4.290 3.960 0.001 0.000 0.272 305 G C 0.883 175.738 174.900 -0.075 0.000 0.764 305 G CA 0.385 45.470 45.100 -0.025 0.000 2.029 305 G HN 1.134 nan 8.290 nan 0.000 0.587 306 S N 0.723 116.411 115.700 -0.021 0.000 2.603 306 S HA 0.151 4.621 4.470 0.001 0.000 0.220 306 S C 0.974 175.533 174.600 -0.069 0.000 0.967 306 S CA -0.175 57.983 58.200 -0.070 0.000 0.920 306 S CB 0.354 63.517 63.200 -0.061 0.000 0.773 306 S HN 0.425 nan 8.310 nan 0.000 0.529 307 R N 1.644 122.117 120.500 -0.045 0.000 2.576 307 R HA 0.258 4.599 4.340 0.001 0.000 0.283 307 R C -1.264 174.941 176.300 -0.158 0.000 1.493 307 R CA -0.095 55.907 56.100 -0.163 0.000 1.170 307 R CB 1.308 31.543 30.300 -0.107 0.000 1.189 307 R HN 0.144 nan 8.270 nan 0.000 0.542 308 T N 3.840 118.301 114.554 -0.155 0.000 2.782 308 T HA 0.260 4.611 4.350 0.001 0.000 0.298 308 T C -0.113 174.548 174.700 -0.065 0.000 0.944 308 T CA 0.006 62.084 62.100 -0.038 0.000 1.001 308 T CB -0.164 68.731 68.868 0.046 0.000 0.932 308 T HN 0.155 nan 8.240 nan 0.000 0.524 309 F N 2.513 122.516 119.950 0.087 0.000 2.420 309 F HA 0.467 4.994 4.527 0.001 0.000 0.352 309 F C 0.367 176.339 175.800 0.285 0.000 1.108 309 F CA -0.749 57.360 58.000 0.182 0.000 1.162 309 F CB 0.907 39.903 39.000 -0.007 0.000 1.118 309 F HN 0.178 nan 8.300 nan 0.000 0.510 310 V N 3.473 123.703 119.914 0.527 0.000 2.588 310 V HA 0.274 4.394 4.120 0.001 0.000 0.304 310 V C -0.229 175.903 176.094 0.064 0.000 1.042 310 V CA -1.158 61.277 62.300 0.224 0.000 0.877 310 V CB 1.647 33.403 31.823 -0.113 0.000 0.996 310 V HN 0.663 nan 8.190 nan 0.000 0.425 311 Q N 2.190 121.784 119.800 -0.342 0.000 2.337 311 Q HA 0.050 4.390 4.340 0.001 0.000 0.270 311 Q C 1.446 177.285 176.000 -0.268 0.000 1.002 311 Q CA 0.378 55.701 55.803 -0.799 0.000 0.888 311 Q CB 0.866 29.245 28.738 -0.598 0.000 1.222 311 Q HN 0.918 nan 8.270 nan 0.000 0.400 312 E N 2.400 122.445 120.200 -0.258 0.000 2.147 312 E HA -0.330 4.020 4.350 0.001 0.000 0.199 312 E C 0.383 176.982 176.600 -0.001 0.000 1.005 312 E CA 1.782 58.134 56.400 -0.080 0.000 0.810 312 E CB -0.073 29.562 29.700 -0.108 0.000 0.736 312 E HN 0.658 nan 8.360 nan 0.000 0.460 313 D N 1.152 121.530 120.400 -0.037 0.000 2.182 313 D HA -0.133 4.507 4.640 0.001 0.000 0.201 313 D C 1.998 178.325 176.300 0.045 0.000 0.986 313 D CA 1.614 55.616 54.000 0.003 0.000 0.847 313 D CB -0.123 40.670 40.800 -0.012 0.000 0.942 313 D HN 0.643 nan 8.370 nan 0.000 0.467 314 I N -3.540 117.064 120.570 0.056 0.000 4.081 314 I HA 0.195 4.365 4.170 0.001 0.000 0.333 314 I C 1.681 177.889 176.117 0.152 0.000 1.413 314 I CA -0.591 60.765 61.300 0.094 0.000 1.110 314 I CB -0.108 37.940 38.000 0.080 0.000 1.082 314 I HN -0.236 nan 8.210 nan 0.000 0.402 315 Y N 2.862 123.189 120.300 0.044 0.000 2.053 315 Y HA -0.310 4.241 4.550 0.001 0.000 0.277 315 Y C 2.171 178.154 175.900 0.137 0.000 1.159 315 Y CA 2.347 60.502 58.100 0.092 0.000 1.125 315 Y CB -0.093 38.395 38.460 0.047 0.000 0.969 315 Y HN 0.211 nan 8.280 nan 0.000 0.492 316 D N 0.024 120.592 120.400 0.280 0.000 2.116 316 D HA -0.242 4.398 4.640 0.001 0.000 0.193 316 D C 2.096 178.426 176.300 0.051 0.000 0.998 316 D CA 1.855 55.953 54.000 0.163 0.000 0.836 316 D CB -0.478 40.417 40.800 0.160 0.000 0.951 316 D HN 0.624 nan 8.370 nan 0.000 0.449 317 E N -0.488 119.754 120.200 0.071 0.000 2.077 317 E HA -0.178 4.172 4.350 0.001 0.000 0.193 317 E C 2.120 178.732 176.600 0.021 0.000 0.989 317 E CA 0.500 56.927 56.400 0.044 0.000 0.800 317 E CB -0.194 29.545 29.700 0.065 0.000 0.746 317 E HN 0.190 nan 8.360 nan 0.000 0.452 318 F N 0.930 120.829 119.950 -0.086 0.000 2.075 318 F HA -0.213 4.314 4.527 0.001 0.000 0.297 318 F C 2.127 177.831 175.800 -0.160 0.000 1.113 318 F CA 1.410 59.342 58.000 -0.114 0.000 1.218 318 F CB -0.456 38.473 39.000 -0.118 0.000 0.984 318 F HN -0.127 nan 8.300 nan 0.000 0.472 319 V N 0.540 120.347 119.914 -0.178 0.000 2.324 319 V HA -0.345 3.775 4.120 0.001 0.000 0.250 319 V C 2.430 178.394 176.094 -0.217 0.000 1.060 319 V CA 2.377 64.521 62.300 -0.259 0.000 1.042 319 V CB -0.751 30.882 31.823 -0.316 0.000 0.650 319 V HN 0.442 nan 8.190 nan 0.000 0.450 320 E N -0.124 119.983 120.200 -0.155 0.000 2.058 320 E HA -0.248 4.102 4.350 0.001 0.000 0.194 320 E C 2.500 179.001 176.600 -0.164 0.000 0.997 320 E CA 1.447 57.776 56.400 -0.118 0.000 0.801 320 E CB -0.035 29.623 29.700 -0.069 0.000 0.746 320 E HN 0.537 nan 8.360 nan 0.000 0.450 321 R N -0.139 120.231 120.500 -0.218 0.000 2.092 321 R HA -0.038 4.302 4.340 0.001 0.000 0.231 321 R C 2.592 178.702 176.300 -0.315 0.000 1.119 321 R CA 1.337 57.290 56.100 -0.246 0.000 0.970 321 R CB -0.097 30.054 30.300 -0.248 0.000 0.864 321 R HN 0.041 nan 8.270 nan 0.000 0.440 322 S N 0.356 115.794 115.700 -0.436 0.000 2.368 322 S HA -0.094 4.376 4.470 0.001 0.000 0.225 322 S C 2.099 176.580 174.600 -0.198 0.000 1.030 322 S CA 1.144 59.121 58.200 -0.371 0.000 0.999 322 S CB -0.123 62.794 63.200 -0.472 0.000 0.844 322 S HN 0.062 nan 8.310 nan 0.000 0.459 323 V N 2.042 121.852 119.914 -0.173 0.000 2.343 323 V HA -0.183 3.937 4.120 0.001 0.000 0.247 323 V C 2.664 178.677 176.094 -0.136 0.000 1.051 323 V CA 1.659 63.889 62.300 -0.118 0.000 1.036 323 V CB -1.209 30.557 31.823 -0.095 0.000 0.654 323 V HN 0.537 nan 8.190 nan 0.000 0.451 324 A N 0.286 123.014 122.820 -0.153 0.000 1.877 324 A HA -0.265 4.055 4.320 0.001 0.000 0.216 324 A C 2.306 179.773 177.584 -0.194 0.000 1.186 324 A CA 2.200 54.147 52.037 -0.149 0.000 0.620 324 A CB -0.543 18.375 19.000 -0.138 0.000 0.822 324 A HN 0.445 nan 8.150 nan 0.000 0.443 325 R N 0.147 120.489 120.500 -0.264 0.000 2.096 325 R HA -0.012 4.328 4.340 0.001 0.000 0.235 325 R C 2.124 178.161 176.300 -0.438 0.000 1.127 325 R CA 1.874 57.726 56.100 -0.413 0.000 0.968 325 R CB -0.877 29.078 30.300 -0.574 0.000 0.861 325 R HN 0.408 nan 8.270 nan 0.000 0.440 326 A N 0.431 123.074 122.820 -0.294 0.000 1.898 326 A HA -0.129 4.191 4.320 0.001 0.000 0.216 326 A C 1.952 179.407 177.584 -0.215 0.000 1.181 326 A CA 1.640 53.516 52.037 -0.268 0.000 0.620 326 A CB -0.342 18.559 19.000 -0.164 0.000 0.819 326 A HN 0.370 nan 8.150 nan 0.000 0.442 327 K N 0.447 120.749 120.400 -0.162 0.000 2.211 327 K HA -0.077 4.244 4.320 0.001 0.000 0.203 327 K C 2.046 178.575 176.600 -0.118 0.000 1.050 327 K CA 1.400 57.614 56.287 -0.121 0.000 0.945 327 K CB -0.102 32.340 32.500 -0.098 0.000 0.732 327 K HN 0.635 nan 8.250 nan 0.000 0.451 328 S N 0.608 116.221 115.700 -0.144 0.000 2.562 328 S HA -0.015 4.456 4.470 0.001 0.000 0.221 328 S C 0.829 175.361 174.600 -0.114 0.000 0.975 328 S CA -0.281 57.845 58.200 -0.123 0.000 0.918 328 S CB -0.085 63.034 63.200 -0.134 0.000 0.772 328 S HN 0.132 nan 8.310 nan 0.000 0.531 329 R N 2.041 122.460 120.500 -0.134 0.000 2.399 329 R HA 0.231 4.571 4.340 0.001 0.000 0.324 329 R C -0.955 175.310 176.300 -0.058 0.000 1.030 329 R CA -0.178 55.867 56.100 -0.092 0.000 0.984 329 R CB 0.157 30.377 30.300 -0.134 0.000 0.961 329 R HN 0.163 nan 8.270 nan 0.000 0.433 330 V N 6.425 126.322 119.914 -0.029 0.000 2.446 330 V HA 0.051 4.172 4.120 0.001 0.000 0.276 330 V C 0.223 176.321 176.094 0.006 0.000 1.030 330 V CA -0.035 62.255 62.300 -0.016 0.000 1.033 330 V CB 1.029 32.847 31.823 -0.007 0.000 0.993 330 V HN 0.467 nan 8.190 nan 0.000 0.477 331 V N 4.930 124.846 119.914 0.004 0.000 2.547 331 V HA 1.017 5.138 4.120 0.001 0.000 0.299 331 V C 0.656 176.743 176.094 -0.013 0.000 1.040 331 V CA 0.574 62.905 62.300 0.051 0.000 0.913 331 V CB 1.167 33.038 31.823 0.081 0.000 0.992 331 V HN 1.145 nan 8.190 nan 0.000 0.449 332 G N 3.279 112.104 108.800 0.041 0.000 2.367 332 G HA2 0.102 4.062 3.960 0.001 0.000 0.272 332 G HA3 0.102 4.062 3.960 0.001 0.000 0.272 332 G C -1.004 173.947 174.900 0.085 0.000 1.271 332 G CA -0.780 44.247 45.100 -0.121 0.000 0.893 332 G HN 0.672 nan 8.290 nan 0.000 0.485 333 N N 2.200 120.913 118.700 0.022 0.000 2.414 333 N HA 0.205 4.946 4.740 0.001 0.000 0.268 333 N C -0.476 175.100 175.510 0.110 0.000 1.286 333 N CA -1.048 52.074 53.050 0.119 0.000 0.896 333 N CB 1.364 39.903 38.487 0.088 0.000 1.093 333 N HN 0.162 nan 8.380 nan 0.000 0.480 334 P HA -0.148 nan 4.420 nan 0.000 0.221 334 P C 0.699 177.906 177.300 -0.156 0.000 1.145 334 P CA 1.267 64.313 63.100 -0.090 0.000 0.795 334 P CB -0.046 31.515 31.700 -0.231 0.000 0.775 335 F N -0.332 119.650 119.950 0.054 0.000 2.811 335 F HA 0.103 4.631 4.527 0.001 0.000 0.301 335 F C 1.294 177.105 175.800 0.019 0.000 1.151 335 F CA 0.077 58.086 58.000 0.016 0.000 1.412 335 F CB -0.084 38.877 39.000 -0.065 0.000 1.113 335 F HN -0.134 nan 8.300 nan 0.000 0.579 336 D N 0.130 120.629 120.400 0.165 0.000 2.277 336 D HA 0.019 4.660 4.640 0.001 0.000 0.249 336 D C 1.218 177.577 176.300 0.098 0.000 1.134 336 D CA 0.201 54.266 54.000 0.107 0.000 0.863 336 D CB 1.531 42.371 40.800 0.067 0.000 1.143 336 D HN 0.137 nan 8.370 nan 0.000 0.458 337 S N 3.542 119.298 115.700 0.094 0.000 2.419 337 S HA -0.187 4.284 4.470 0.001 0.000 0.235 337 S C 1.377 176.016 174.600 0.064 0.000 1.019 337 S CA 0.924 59.178 58.200 0.089 0.000 0.982 337 S CB -0.004 63.242 63.200 0.075 0.000 0.789 337 S HN 0.487 nan 8.310 nan 0.000 0.490 338 K N 0.924 121.352 120.400 0.048 0.000 2.365 338 K HA 0.102 4.422 4.320 0.001 0.000 0.197 338 K C 0.103 176.723 176.600 0.034 0.000 1.042 338 K CA 0.464 56.771 56.287 0.034 0.000 0.987 338 K CB -0.149 32.362 32.500 0.018 0.000 0.779 338 K HN 0.298 nan 8.250 nan 0.000 0.484 339 T N 1.910 116.489 114.554 0.043 0.000 2.853 339 T HA 0.025 4.375 4.350 0.001 0.000 0.298 339 T C 0.786 175.515 174.700 0.049 0.000 0.978 339 T CA 0.303 62.429 62.100 0.044 0.000 1.152 339 T CB 1.019 69.919 68.868 0.054 0.000 0.914 339 T HN 0.189 nan 8.240 nan 0.000 0.539 340 E N 1.765 121.993 120.200 0.047 0.000 2.251 340 E HA 0.049 4.399 4.350 0.001 0.000 0.194 340 E C 0.818 177.444 176.600 0.044 0.000 0.964 340 E CA 0.192 56.627 56.400 0.058 0.000 0.868 340 E CB 0.551 30.288 29.700 0.062 0.000 0.828 340 E HN 0.559 nan 8.360 nan 0.000 0.481 341 Q N 0.355 120.181 119.800 0.043 0.000 2.321 341 Q HA 0.436 4.776 4.340 0.001 0.000 0.270 341 Q C -0.566 175.485 176.000 0.084 0.000 1.032 341 Q CA -0.618 55.208 55.803 0.038 0.000 0.784 341 Q CB 1.799 30.568 28.738 0.051 0.000 1.264 341 Q HN 0.129 nan 8.270 nan 0.000 0.448 342 G N 3.119 111.926 108.800 0.013 0.000 2.606 342 G HA2 0.606 4.567 3.960 0.001 0.000 0.262 342 G HA3 0.606 4.567 3.960 0.001 0.000 0.262 342 G C -2.556 172.236 174.900 -0.181 0.000 1.394 342 G CA -1.009 44.095 45.100 0.008 0.000 1.044 342 G HN 0.565 nan 8.290 nan 0.000 0.553 343 P HA 0.236 nan 4.420 nan 0.000 0.278 343 P C -0.864 176.241 177.300 -0.325 0.000 1.266 343 P CA -0.466 62.156 63.100 -0.797 0.000 0.807 343 P CB 1.048 32.004 31.700 -1.241 0.000 1.094 344 Q N -0.051 119.646 119.800 -0.171 0.000 2.368 344 Q HA 0.059 4.399 4.340 0.001 0.000 0.237 344 Q C 1.403 177.299 176.000 -0.174 0.000 0.987 344 Q CA -0.364 55.379 55.803 -0.101 0.000 0.896 344 Q CB 0.396 29.147 28.738 0.021 0.000 1.241 344 Q HN 0.207 nan 8.270 nan 0.000 0.485 345 V N 0.753 120.485 119.914 -0.304 0.000 2.282 345 V HA -0.240 3.881 4.120 0.001 0.000 0.249 345 V C 0.501 176.359 176.094 -0.392 0.000 1.057 345 V CA 2.862 64.900 62.300 -0.436 0.000 1.032 345 V CB -0.040 31.201 31.823 -0.971 0.000 0.645 345 V HN 1.015 nan 8.190 nan 0.000 0.447 346 D N -3.316 116.767 120.400 -0.529 0.000 0.000 346 D HA 0.127 4.768 4.640 0.001 0.000 0.000 346 D C 0.740 176.390 176.300 -1.083 0.000 0.000 346 D CA -0.004 53.584 54.000 -0.685 0.000 0.000 346 D CB 0.825 41.342 40.800 -0.470 0.000 0.000 346 D HN 0.077 nan 8.370 nan 0.000 0.000 347 E N -0.491 118.978 120.200 -1.218 0.000 2.077 347 E HA -0.164 4.186 4.350 0.001 0.000 0.193 347 E C 1.248 177.676 176.600 -0.287 0.000 0.989 347 E CA 1.875 57.763 56.400 -0.854 0.000 0.800 347 E CB -0.102 29.356 29.700 -0.404 0.000 0.746 347 E HN 0.532 nan 8.360 nan 0.000 0.452 348 T N 1.191 115.600 114.554 -0.242 0.000 2.665 348 T HA -0.187 4.163 4.350 0.001 0.000 0.268 348 T C 1.824 176.476 174.700 -0.080 0.000 1.035 348 T CA 1.296 63.324 62.100 -0.121 0.000 1.151 348 T CB -0.167 68.636 68.868 -0.109 0.000 0.862 348 T HN 0.161 nan 8.240 nan 0.000 0.438 349 Q N -0.146 119.579 119.800 -0.125 0.000 2.119 349 Q HA 0.030 4.370 4.340 0.001 0.000 0.201 349 Q C 2.073 178.093 176.000 0.033 0.000 0.972 349 Q CA 0.922 56.708 55.803 -0.029 0.000 0.847 349 Q CB -0.594 28.090 28.738 -0.091 0.000 0.903 349 Q HN 0.563 nan 8.270 nan 0.000 0.433 350 F N 1.966 121.807 119.950 -0.183 0.000 2.091 350 F HA -0.253 4.275 4.527 0.001 0.000 0.299 350 F C 1.993 177.777 175.800 -0.027 0.000 1.103 350 F CA 1.695 59.639 58.000 -0.095 0.000 1.228 350 F CB 0.037 38.949 39.000 -0.145 0.000 0.984 350 F HN -0.032 nan 8.300 nan 0.000 0.477 351 K N -0.016 120.368 120.400 -0.027 0.000 2.062 351 K HA -0.168 4.152 4.320 0.001 0.000 0.205 351 K C 2.206 178.741 176.600 -0.109 0.000 1.051 351 K CA 1.329 57.550 56.287 -0.110 0.000 0.941 351 K CB -0.287 32.202 32.500 -0.018 0.000 0.719 351 K HN 0.180 nan 8.250 nan 0.000 0.440 352 K N 1.195 121.562 120.400 -0.055 0.000 2.113 352 K HA -0.148 4.172 4.320 0.001 0.000 0.208 352 K C 1.988 178.593 176.600 0.009 0.000 1.047 352 K CA 1.297 57.553 56.287 -0.051 0.000 0.928 352 K CB -0.057 32.466 32.500 0.038 0.000 0.716 352 K HN 0.080 nan 8.250 nan 0.000 0.446 353 I N 0.806 121.416 120.570 0.066 0.000 2.202 353 I HA -0.291 3.879 4.170 0.001 0.000 0.242 353 I C 2.133 178.281 176.117 0.051 0.000 1.091 353 I CA 1.010 62.390 61.300 0.133 0.000 1.368 353 I CB -0.232 37.814 38.000 0.077 0.000 1.058 353 I HN 0.149 nan 8.210 nan 0.000 0.410 354 L N 0.586 121.747 121.223 -0.104 0.000 2.079 354 L HA -0.175 4.165 4.340 0.001 0.000 0.210 354 L C 2.676 179.515 176.870 -0.052 0.000 1.081 354 L CA 1.585 56.352 54.840 -0.122 0.000 0.752 354 L CB -1.218 40.681 42.059 -0.266 0.000 0.896 354 L HN 0.352 nan 8.230 nan 0.000 0.433 355 G N -1.035 107.711 108.800 -0.091 0.000 2.421 355 G HA2 -0.283 3.677 3.960 0.001 0.000 0.216 355 G HA3 -0.283 3.677 3.960 0.001 0.000 0.216 355 G C 1.391 176.236 174.900 -0.092 0.000 1.171 355 G CA 0.614 45.636 45.100 -0.130 0.000 0.775 355 G HN 0.309 nan 8.290 nan 0.000 0.543 356 Y N 0.475 120.778 120.300 0.005 0.000 2.224 356 Y HA -0.024 4.526 4.550 0.001 0.000 0.289 356 Y C 2.795 178.717 175.900 0.037 0.000 1.146 356 Y CA 0.563 58.670 58.100 0.011 0.000 1.182 356 Y CB -0.066 38.408 38.460 0.023 0.000 0.983 356 Y HN 0.117 nan 8.280 nan 0.000 0.524 357 I N -0.022 120.698 120.570 0.250 0.000 2.163 357 I HA -0.366 3.805 4.170 0.001 0.000 0.243 357 I C 2.454 178.729 176.117 0.262 0.000 1.085 357 I CA 1.407 62.900 61.300 0.322 0.000 1.347 357 I CB -0.469 37.662 38.000 0.218 0.000 1.044 357 I HN 0.380 nan 8.210 nan 0.000 0.408 358 N N 0.474 119.252 118.700 0.131 0.000 2.084 358 N HA -0.167 4.574 4.740 0.001 0.000 0.190 358 N C 1.734 177.281 175.510 0.062 0.000 1.030 358 N CA 2.074 55.175 53.050 0.084 0.000 0.849 358 N CB 0.028 38.532 38.487 0.028 0.000 1.012 358 N HN 0.280 nan 8.380 nan 0.000 0.423 359 T N -0.196 114.381 114.554 0.039 0.000 2.803 359 T HA -0.092 4.259 4.350 0.001 0.000 0.269 359 T C 1.717 176.397 174.700 -0.034 0.000 1.052 359 T CA 1.250 63.358 62.100 0.014 0.000 1.136 359 T CB -0.595 68.297 68.868 0.040 0.000 0.864 359 T HN 0.422 nan 8.240 nan 0.000 0.467 360 G N 1.566 110.308 108.800 -0.097 0.000 2.404 360 G HA2 -0.171 3.789 3.960 0.001 0.000 0.215 360 G HA3 -0.171 3.789 3.960 0.001 0.000 0.215 360 G C 1.612 176.399 174.900 -0.188 0.000 1.174 360 G CA 0.645 45.497 45.100 -0.413 0.000 0.780 360 G HN 0.417 nan 8.290 nan 0.000 0.537 361 K N -0.227 120.225 120.400 0.087 0.000 2.057 361 K HA -0.058 4.262 4.320 0.001 0.000 0.207 361 K C 2.552 179.194 176.600 0.070 0.000 1.049 361 K CA 1.296 57.681 56.287 0.164 0.000 0.931 361 K CB -0.141 32.470 32.500 0.185 0.000 0.714 361 K HN 0.219 nan 8.250 nan 0.000 0.440 362 Q N 1.312 121.135 119.800 0.038 0.000 2.124 362 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 362 Q C 1.036 177.040 176.000 0.007 0.000 0.977 362 Q CA 1.628 57.443 55.803 0.021 0.000 0.850 362 Q CB 0.161 28.906 28.738 0.012 0.000 0.901 362 Q HN 0.327 nan 8.270 nan 0.000 0.429 363 E N -2.048 118.143 120.200 -0.015 0.000 2.502 363 E HA 0.126 4.476 4.350 0.001 0.000 0.194 363 E C 0.673 177.266 176.600 -0.012 0.000 1.062 363 E CA 0.398 56.785 56.400 -0.021 0.000 0.867 363 E CB 0.346 30.020 29.700 -0.044 0.000 0.888 363 E HN 0.522 nan 8.360 nan 0.000 0.510 364 G N 1.047 109.850 108.800 0.004 0.000 2.184 364 G HA2 -0.256 3.704 3.960 0.001 0.000 0.206 364 G HA3 -0.256 3.704 3.960 0.001 0.000 0.206 364 G C 0.393 175.318 174.900 0.042 0.000 0.995 364 G CA -0.170 44.945 45.100 0.025 0.000 0.651 364 G HN 0.434 nan 8.290 nan 0.000 0.511 365 A N 0.367 123.197 122.820 0.017 0.000 2.477 365 A HA 0.575 4.896 4.320 0.001 0.000 0.246 365 A C 0.580 178.313 177.584 0.248 0.000 1.078 365 A CA 0.806 52.885 52.037 0.069 0.000 0.770 365 A CB 0.319 19.216 19.000 -0.170 0.000 1.011 365 A HN 0.561 nan 8.150 nan 0.000 0.494 366 K N 2.583 123.135 120.400 0.254 0.000 2.310 366 K HA 0.273 4.594 4.320 0.001 0.000 0.290 366 K C -0.518 176.226 176.600 0.241 0.000 1.077 366 K CA -0.458 55.962 56.287 0.222 0.000 0.922 366 K CB 0.145 32.735 32.500 0.151 0.000 1.057 366 K HN 0.593 nan 8.250 nan 0.000 0.479 367 L N 6.559 127.879 121.223 0.163 0.000 2.456 367 L HA 0.068 4.408 4.340 0.001 0.000 0.277 367 L C 0.153 176.973 176.870 -0.084 0.000 1.124 367 L CA 0.625 55.403 54.840 -0.104 0.000 0.880 367 L CB 0.313 42.312 42.059 -0.100 0.000 1.192 367 L HN 0.806 nan 8.230 nan 0.000 0.463 368 L N 4.914 126.064 121.223 -0.121 0.000 2.416 368 L HA 0.210 4.551 4.340 0.001 0.000 0.216 368 L C 0.482 177.302 176.870 -0.083 0.000 1.098 368 L CA 0.207 55.008 54.840 -0.065 0.000 0.840 368 L CB -0.154 41.886 42.059 -0.032 0.000 0.981 368 L HN 0.845 nan 8.230 nan 0.000 0.462 369 C N -3.183 116.040 119.300 -0.128 0.000 3.275 369 C HA 0.686 5.146 4.460 0.001 0.000 0.345 369 C C 0.692 175.611 174.990 -0.118 0.000 1.257 369 C CA -0.659 58.298 59.018 -0.100 0.000 1.203 369 C CB 0.775 28.469 27.740 -0.077 0.000 1.492 369 C HN 0.625 nan 8.230 nan 0.000 0.484 370 G N 1.075 109.828 108.800 -0.078 0.000 2.566 370 G HA2 0.354 4.314 3.960 0.001 0.000 0.280 370 G HA3 0.354 4.314 3.960 0.001 0.000 0.280 370 G C 1.378 176.233 174.900 -0.075 0.000 1.225 370 G CA 2.414 47.479 45.100 -0.058 0.000 0.966 370 G HN 3.363 nan 8.290 nan 0.000 0.560 371 G N -2.305 106.458 108.800 -0.062 0.000 2.184 371 G HA2 0.443 4.403 3.960 0.001 0.000 0.206 371 G HA3 0.443 4.403 3.960 0.001 0.000 0.206 371 G C 1.363 176.259 174.900 -0.007 0.000 0.995 371 G CA 0.967 46.035 45.100 -0.052 0.000 0.651 371 G HN 2.553 nan 8.290 nan 0.000 0.511 372 G N -0.923 107.878 108.800 0.003 0.000 2.949 372 G HA2 0.680 4.641 3.960 0.001 0.000 0.285 372 G HA3 0.680 4.641 3.960 0.001 0.000 0.285 372 G C -0.257 174.670 174.900 0.045 0.000 1.395 372 G CA -0.827 44.281 45.100 0.014 0.000 0.901 372 G HN 0.613 nan 8.290 nan 0.000 0.519 373 I N 1.053 121.667 120.570 0.074 0.000 2.648 373 I HA 0.222 4.393 4.170 0.001 0.000 0.284 373 I C 1.442 177.647 176.117 0.148 0.000 1.153 373 I CA 0.082 61.487 61.300 0.174 0.000 1.426 373 I CB 1.619 39.765 38.000 0.243 0.000 1.381 373 I HN 0.547 nan 8.210 nan 0.000 0.571 374 A N 5.076 128.013 122.820 0.195 0.000 2.267 374 A HA 0.679 4.999 4.320 0.001 0.000 0.213 374 A C 0.692 178.296 177.584 0.033 0.000 1.192 374 A CA 0.570 52.673 52.037 0.112 0.000 0.851 374 A CB 0.117 19.198 19.000 0.136 0.000 0.881 374 A HN 0.818 nan 8.150 nan 0.000 0.494 375 A N -0.842 122.022 122.820 0.074 0.000 2.605 375 A HA 0.530 4.850 4.320 0.001 0.000 0.294 375 A C -0.616 176.988 177.584 0.033 0.000 1.062 375 A CA -0.237 51.778 52.037 -0.037 0.000 0.682 375 A CB 0.325 19.158 19.000 -0.277 0.000 1.278 375 A HN -0.037 nan 8.150 nan 0.000 0.410 376 D N 0.281 120.672 120.400 -0.015 0.000 2.183 376 D HA 0.020 4.660 4.640 0.001 0.000 0.203 376 D C 0.635 176.918 176.300 -0.028 0.000 0.969 376 D CA 1.211 55.210 54.000 -0.001 0.000 0.842 376 D CB 0.145 40.934 40.800 -0.018 0.000 0.957 376 D HN 0.463 nan 8.370 nan 0.000 0.484 377 R N -0.184 120.287 120.500 -0.050 0.000 2.460 377 R HA 0.521 4.861 4.340 0.001 0.000 0.303 377 R C 0.247 176.545 176.300 -0.003 0.000 0.968 377 R CA -0.007 56.049 56.100 -0.073 0.000 0.889 377 R CB 1.755 32.013 30.300 -0.071 0.000 1.123 377 R HN 0.156 nan 8.270 nan 0.000 0.455 378 G N 1.535 110.201 108.800 -0.224 0.000 2.746 378 G HA2 -0.277 3.684 3.960 0.001 0.000 0.685 378 G HA3 -0.277 3.684 3.960 0.001 0.000 0.685 378 G C -0.930 173.604 174.900 -0.609 0.000 1.350 378 G CA -0.749 44.121 45.100 -0.383 0.000 0.837 378 G HN 0.667 nan 8.290 nan 0.000 0.564 379 Y N -0.063 119.933 120.300 -0.507 0.000 2.832 379 Y HA 0.517 5.067 4.550 0.001 0.000 0.372 379 Y C 0.728 176.455 175.900 -0.287 0.000 1.238 379 Y CA -0.692 56.982 58.100 -0.710 0.000 1.713 379 Y CB -0.080 38.031 38.460 -0.582 0.000 1.809 379 Y HN 0.341 nan 8.280 nan 0.000 0.472 380 F N 1.624 121.626 119.950 0.086 0.000 2.396 380 F HA 0.491 5.019 4.527 0.000 0.000 0.343 380 F C 0.258 176.241 175.800 0.305 0.000 1.104 380 F CA -0.803 57.297 58.000 0.165 0.000 1.161 380 F CB 0.737 39.771 39.000 0.057 0.000 1.146 380 F HN 0.044 nan 8.300 nan 0.000 0.522 381 I N 2.322 123.115 120.570 0.372 0.000 2.608 381 I HA 0.262 4.433 4.170 0.001 0.000 0.295 381 I C -0.672 175.554 176.117 0.181 0.000 1.049 381 I CA -1.070 60.380 61.300 0.250 0.000 1.063 381 I CB 2.173 40.275 38.000 0.170 0.000 1.248 381 I HN 0.516 nan 8.210 nan 0.000 0.424 382 Q N 5.232 125.106 119.800 0.124 0.000 2.352 382 Q HA 0.236 4.577 4.340 0.001 0.000 0.260 382 Q C -2.345 173.707 176.000 0.087 0.000 0.976 382 Q CA -1.625 54.226 55.803 0.081 0.000 0.881 382 Q CB 0.164 28.926 28.738 0.040 0.000 1.235 382 Q HN 0.246 nan 8.270 nan 0.000 0.419 383 P HA -0.036 nan 4.420 nan 0.000 0.259 383 P C -1.077 176.299 177.300 0.127 0.000 1.211 383 P CA 0.539 63.705 63.100 0.110 0.000 0.810 383 P CB 0.394 31.975 31.700 -0.198 0.000 0.815 384 T N 3.162 117.840 114.554 0.206 0.000 2.829 384 T HA 0.452 4.803 4.350 0.001 0.000 0.282 384 T C -0.134 174.599 174.700 0.056 0.000 0.990 384 T CA -0.368 61.750 62.100 0.031 0.000 1.028 384 T CB 0.888 69.733 68.868 -0.037 0.000 0.951 384 T HN -0.058 nan 8.240 nan 0.000 0.460 385 V N 3.803 123.658 119.914 -0.099 0.000 2.577 385 V HA 0.511 4.632 4.120 0.001 0.000 0.303 385 V C -1.067 174.921 176.094 -0.178 0.000 1.042 385 V CA -0.905 61.374 62.300 -0.034 0.000 0.872 385 V CB 1.416 33.264 31.823 0.040 0.000 0.998 385 V HN 0.830 nan 8.190 nan 0.000 0.423 386 F N 2.341 122.320 119.950 0.047 0.000 2.458 386 F HA 0.767 5.294 4.527 0.001 0.000 0.336 386 F C 0.921 176.758 175.800 0.063 0.000 1.114 386 F CA -0.300 57.728 58.000 0.046 0.000 0.987 386 F CB 2.102 41.121 39.000 0.032 0.000 1.130 386 F HN 0.600 nan 8.300 nan 0.000 0.458 387 G N 0.744 109.711 108.800 0.280 0.000 2.491 387 G HA2 0.323 4.284 3.960 0.001 0.000 0.327 387 G HA3 0.323 4.284 3.960 0.001 0.000 0.327 387 G C -0.486 174.568 174.900 0.257 0.000 1.189 387 G CA -0.634 44.623 45.100 0.261 0.000 0.956 387 G HN 0.722 nan 8.290 nan 0.000 0.491 388 D N -1.075 119.503 120.400 0.296 0.000 2.701 388 D HA -0.164 4.476 4.640 0.001 0.000 0.235 388 D C 0.711 177.072 176.300 0.101 0.000 1.155 388 D CA 0.661 54.754 54.000 0.154 0.000 0.649 388 D CB -1.112 39.748 40.800 0.100 0.000 1.050 388 D HN 0.174 nan 8.370 nan 0.000 0.425 389 V N 0.495 120.470 119.914 0.101 0.000 2.811 389 V HA 0.050 4.170 4.120 0.001 0.000 0.302 389 V C 0.959 177.064 176.094 0.018 0.000 1.063 389 V CA 0.200 62.518 62.300 0.030 0.000 1.088 389 V CB 1.591 33.410 31.823 -0.006 0.000 0.982 389 V HN 0.066 nan 8.190 nan 0.000 0.485 390 Q N 1.672 121.475 119.800 0.005 0.000 2.348 390 Q HA 0.307 4.647 4.340 0.001 0.000 0.271 390 Q C 0.007 176.023 176.000 0.026 0.000 1.067 390 Q CA -0.902 54.917 55.803 0.027 0.000 0.839 390 Q CB 1.888 30.642 28.738 0.026 0.000 1.354 390 Q HN 0.657 nan 8.270 nan 0.000 0.447 391 D N 1.393 121.832 120.400 0.065 0.000 2.190 391 D HA -0.138 4.502 4.640 0.001 0.000 0.200 391 D C 1.607 177.936 176.300 0.048 0.000 0.992 391 D CA 1.580 55.627 54.000 0.078 0.000 0.854 391 D CB -0.154 40.715 40.800 0.115 0.000 0.936 391 D HN 0.851 nan 8.370 nan 0.000 0.462 392 G N -0.086 108.735 108.800 0.035 0.000 2.511 392 G HA2 -0.049 3.911 3.960 0.001 0.000 0.217 392 G HA3 -0.049 3.911 3.960 0.001 0.000 0.217 392 G C 0.826 175.733 174.900 0.012 0.000 1.133 392 G CA -0.152 44.962 45.100 0.024 0.000 0.792 392 G HN 0.171 nan 8.290 nan 0.000 0.539 393 M N 0.711 120.309 119.600 -0.002 0.000 2.252 393 M HA 0.102 4.582 4.480 0.001 0.000 0.333 393 M C 1.809 178.099 176.300 -0.017 0.000 1.111 393 M CA 0.022 55.308 55.300 -0.023 0.000 1.140 393 M CB 0.804 33.368 32.600 -0.059 0.000 1.538 393 M HN -0.070 nan 8.290 nan 0.000 0.448 394 T N 2.328 116.877 114.554 -0.009 0.000 2.746 394 T HA -0.088 4.262 4.350 0.001 0.000 0.267 394 T C 1.549 176.242 174.700 -0.012 0.000 1.039 394 T CA 1.580 63.697 62.100 0.028 0.000 1.142 394 T CB -0.403 68.516 68.868 0.086 0.000 0.866 394 T HN 0.762 nan 8.240 nan 0.000 0.444 395 I N -0.283 120.244 120.570 -0.073 0.000 3.010 395 I HA 0.138 4.308 4.170 0.001 0.000 0.271 395 I C 2.044 178.079 176.117 -0.137 0.000 1.293 395 I CA 0.900 62.106 61.300 -0.156 0.000 1.452 395 I CB -0.365 37.482 38.000 -0.256 0.000 1.082 395 I HN 0.079 nan 8.210 nan 0.000 0.484 396 A N 0.573 123.341 122.820 -0.085 0.000 2.390 396 A HA 0.283 4.603 4.320 0.001 0.000 0.232 396 A C 1.931 179.515 177.584 -0.001 0.000 1.233 396 A CA -0.124 51.880 52.037 -0.055 0.000 0.907 396 A CB -0.001 18.969 19.000 -0.050 0.000 0.967 396 A HN 0.408 nan 8.150 nan 0.000 0.512 397 K N -0.382 120.021 120.400 0.006 0.000 2.443 397 K HA 0.181 4.501 4.320 0.001 0.000 0.200 397 K C -0.123 176.532 176.600 0.090 0.000 1.278 397 K CA 0.271 56.593 56.287 0.058 0.000 0.925 397 K CB 0.652 33.182 32.500 0.050 0.000 1.225 397 K HN 0.385 nan 8.250 nan 0.000 0.514 398 E N 1.850 122.060 120.200 0.018 0.000 2.191 398 E HA 0.086 4.436 4.350 0.001 0.000 0.278 398 E C -1.059 175.442 176.600 -0.164 0.000 0.972 398 E CA -0.348 56.054 56.400 0.004 0.000 0.804 398 E CB 1.719 31.447 29.700 0.046 0.000 1.110 398 E HN 0.070 nan 8.360 nan 0.000 0.394 399 E N 3.486 123.637 120.200 -0.081 0.000 2.265 399 E HA -0.012 4.338 4.350 0.001 0.000 0.272 399 E C 0.385 176.868 176.600 -0.195 0.000 1.067 399 E CA -0.025 56.297 56.400 -0.130 0.000 0.900 399 E CB 0.406 30.025 29.700 -0.135 0.000 1.017 399 E HN 0.550 nan 8.360 nan 0.000 0.431 400 I N 4.452 124.881 120.570 -0.234 0.000 2.333 400 I HA -0.129 4.041 4.170 0.001 0.000 0.246 400 I C 0.583 176.809 176.117 0.182 0.000 1.106 400 I CA 0.260 61.437 61.300 -0.205 0.000 1.411 400 I CB 0.016 37.897 38.000 -0.198 0.000 1.082 400 I HN 0.695 nan 8.210 nan 0.000 0.420 401 F N 1.266 121.186 119.950 -0.050 0.000 3.058 401 F HA -0.164 4.363 4.527 0.001 0.000 0.295 401 F C 0.392 176.215 175.800 0.040 0.000 0.875 401 F CA 0.630 58.639 58.000 0.016 0.000 1.150 401 F CB -1.451 37.607 39.000 0.097 0.000 1.175 401 F HN 0.148 nan 8.300 nan 0.000 0.599 402 G N -0.664 108.160 108.800 0.040 0.000 2.708 402 G HA2 0.637 4.598 3.960 0.001 0.000 0.289 402 G HA3 0.637 4.598 3.960 0.001 0.000 0.289 402 G C -2.880 171.982 174.900 -0.064 0.000 1.416 402 G CA -0.792 44.315 45.100 0.012 0.000 0.829 402 G HN -0.153 nan 8.290 nan 0.000 0.480 403 P HA 0.192 nan 4.420 nan 0.000 0.232 403 P C -0.491 176.806 177.300 -0.005 0.000 1.738 403 P CA 0.041 63.144 63.100 0.004 0.000 0.948 403 P CB 0.036 31.893 31.700 0.261 0.000 1.943 404 V N 2.665 122.498 119.914 -0.134 0.000 2.376 404 V HA 0.330 4.450 4.120 0.001 0.000 0.287 404 V C 0.371 176.390 176.094 -0.126 0.000 1.015 404 V CA -0.692 61.593 62.300 -0.025 0.000 0.834 404 V CB 1.840 33.730 31.823 0.111 0.000 1.001 404 V HN 0.269 nan 8.190 nan 0.000 0.428 405 M N 4.225 123.756 119.600 -0.115 0.000 2.233 405 M HA 0.545 5.025 4.480 0.001 0.000 0.355 405 M C -0.736 175.606 176.300 0.068 0.000 1.191 405 M CA -0.235 54.998 55.300 -0.111 0.000 1.101 405 M CB 1.262 33.814 32.600 -0.080 0.000 1.592 405 M HN 0.626 nan 8.290 nan 0.000 0.461 406 Q N 5.186 124.997 119.800 0.019 0.000 2.341 406 Q HA 0.560 4.900 4.340 0.001 0.000 0.268 406 Q C -1.296 174.711 176.000 0.012 0.000 1.013 406 Q CA 0.019 55.850 55.803 0.047 0.000 0.798 406 Q CB 1.797 30.513 28.738 -0.036 0.000 1.253 406 Q HN 0.699 nan 8.270 nan 0.000 0.457 407 I N 4.113 124.732 120.570 0.082 0.000 2.355 407 I HA 0.346 4.517 4.170 0.001 0.000 0.288 407 I C -0.893 175.318 176.117 0.156 0.000 0.999 407 I CA -0.845 60.519 61.300 0.107 0.000 1.163 407 I CB 0.735 38.822 38.000 0.145 0.000 1.316 407 I HN 0.323 nan 8.210 nan 0.000 0.454 408 L N 6.566 127.819 121.223 0.050 0.000 2.334 408 L HA 0.529 4.869 4.340 0.001 0.000 0.270 408 L C -0.019 177.051 176.870 0.333 0.000 1.018 408 L CA -0.448 54.443 54.840 0.084 0.000 0.811 408 L CB 1.186 43.098 42.059 -0.245 0.000 1.271 408 L HN 0.460 nan 8.230 nan 0.000 0.443 409 K N 1.506 122.067 120.400 0.269 0.000 2.207 409 K HA 0.707 5.027 4.320 0.001 0.000 0.255 409 K C -1.494 175.309 176.600 0.338 0.000 0.941 409 K CA -0.490 55.926 56.287 0.216 0.000 0.825 409 K CB 1.401 33.743 32.500 -0.263 0.000 1.119 409 K HN 0.520 nan 8.250 nan 0.000 0.430 410 F N 0.887 120.928 119.950 0.153 0.000 2.643 410 F HA 0.465 4.992 4.527 0.001 0.000 0.314 410 F C 0.112 175.955 175.800 0.072 0.000 1.096 410 F CA -0.918 57.155 58.000 0.121 0.000 0.953 410 F CB 1.704 40.791 39.000 0.146 0.000 1.345 410 F HN 0.526 nan 8.300 nan 0.000 0.468 411 K N 0.018 120.468 120.400 0.083 0.000 2.266 411 K HA 0.216 4.536 4.320 0.001 0.000 0.209 411 K C 0.282 176.908 176.600 0.043 0.000 1.065 411 K CA 1.006 57.268 56.287 -0.042 0.000 0.946 411 K CB 0.268 32.776 32.500 0.014 0.000 1.069 411 K HN 0.899 nan 8.250 nan 0.000 0.472 412 T N -1.922 112.755 114.554 0.205 0.000 2.952 412 T HA 0.266 4.617 4.350 0.001 0.000 0.286 412 T C 1.119 176.004 174.700 0.309 0.000 1.024 412 T CA -0.813 61.403 62.100 0.193 0.000 1.029 412 T CB 1.482 70.410 68.868 0.100 0.000 1.094 412 T HN 0.184 nan 8.240 nan 0.000 0.515 413 I N 0.217 120.907 120.570 0.200 0.000 2.546 413 I HA -0.047 4.124 4.170 0.001 0.000 0.255 413 I C 1.974 178.164 176.117 0.121 0.000 1.163 413 I CA 1.217 62.615 61.300 0.164 0.000 1.457 413 I CB -0.017 38.037 38.000 0.089 0.000 1.092 413 I HN 0.721 nan 8.210 nan 0.000 0.434 414 E N 0.638 120.894 120.200 0.092 0.000 2.107 414 E HA -0.251 4.099 4.350 0.001 0.000 0.191 414 E C 1.915 178.550 176.600 0.059 0.000 0.982 414 E CA 1.085 57.550 56.400 0.107 0.000 0.809 414 E CB -0.200 29.541 29.700 0.068 0.000 0.756 414 E HN 0.514 nan 8.360 nan 0.000 0.459 415 E N 0.556 120.790 120.200 0.057 0.000 2.028 415 E HA -0.173 4.178 4.350 0.001 0.000 0.191 415 E C 2.110 178.661 176.600 -0.081 0.000 0.988 415 E CA 1.196 57.615 56.400 0.032 0.000 0.799 415 E CB -0.077 29.689 29.700 0.109 0.000 0.755 415 E HN 0.166 nan 8.360 nan 0.000 0.447 416 V N 0.600 120.396 119.914 -0.196 0.000 2.392 416 V HA -0.217 3.904 4.120 0.001 0.000 0.249 416 V C 2.384 178.195 176.094 -0.471 0.000 1.059 416 V CA 1.581 63.529 62.300 -0.587 0.000 1.051 416 V CB -0.087 31.024 31.823 -1.186 0.000 0.658 416 V HN 0.231 nan 8.190 nan 0.000 0.455 417 V N 0.768 120.537 119.914 -0.243 0.000 2.255 417 V HA -0.219 3.901 4.120 0.001 0.000 0.247 417 V C 2.698 178.696 176.094 -0.160 0.000 1.051 417 V CA 2.368 64.563 62.300 -0.174 0.000 1.018 417 V CB -1.547 30.236 31.823 -0.067 0.000 0.641 417 V HN 0.640 nan 8.190 nan 0.000 0.445 418 G N -0.562 108.171 108.800 -0.111 0.000 2.422 418 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 418 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 418 G C 1.753 176.600 174.900 -0.089 0.000 1.146 418 G CA 0.746 45.801 45.100 -0.075 0.000 0.769 418 G HN 0.463 nan 8.290 nan 0.000 0.547 419 R N 0.378 120.785 120.500 -0.155 0.000 2.073 419 R HA 0.147 4.488 4.340 0.001 0.000 0.229 419 R C 3.043 179.255 176.300 -0.147 0.000 1.120 419 R CA 0.998 57.023 56.100 -0.126 0.000 0.967 419 R CB -0.351 29.854 30.300 -0.157 0.000 0.862 419 R HN 0.324 nan 8.270 nan 0.000 0.436 420 A N 1.665 124.264 122.820 -0.369 0.000 1.902 420 A HA -0.167 4.154 4.320 0.001 0.000 0.217 420 A C 1.692 179.244 177.584 -0.054 0.000 1.181 420 A CA 1.508 53.405 52.037 -0.233 0.000 0.623 420 A CB -0.391 18.409 19.000 -0.333 0.000 0.818 420 A HN 0.224 nan 8.150 nan 0.000 0.443 421 N N 0.247 118.902 118.700 -0.076 0.000 2.396 421 N HA -0.080 4.660 4.740 0.001 0.000 0.180 421 N C 0.438 175.951 175.510 0.004 0.000 1.028 421 N CA 0.543 53.577 53.050 -0.028 0.000 0.893 421 N CB -0.580 37.882 38.487 -0.042 0.000 0.967 421 N HN 0.472 nan 8.380 nan 0.000 0.440 422 N N 1.042 119.746 118.700 0.007 0.000 2.605 422 N HA 0.040 4.780 4.740 0.001 0.000 0.282 422 N C -1.308 174.232 175.510 0.050 0.000 1.206 422 N CA 0.151 53.215 53.050 0.024 0.000 1.074 422 N CB -0.164 38.340 38.487 0.027 0.000 1.434 422 N HN -0.080 nan 8.380 nan 0.000 0.506 423 S N 0.606 116.330 115.700 0.040 0.000 2.565 423 S HA 0.250 4.721 4.470 0.001 0.000 0.274 423 S C 0.613 175.210 174.600 -0.005 0.000 1.144 423 S CA -0.617 57.614 58.200 0.051 0.000 0.849 423 S CB 0.286 63.562 63.200 0.126 0.000 1.103 423 S HN 0.372 nan 8.310 nan 0.000 0.455 424 T N 2.010 116.500 114.554 -0.106 0.000 3.055 424 T HA 0.169 4.519 4.350 0.001 0.000 0.265 424 T C 0.235 174.782 174.700 -0.254 0.000 1.111 424 T CA 1.111 63.068 62.100 -0.238 0.000 1.118 424 T CB -0.359 68.261 68.868 -0.414 0.000 0.909 424 T HN 0.546 nan 8.240 nan 0.000 0.501 425 Y N 0.147 120.469 120.300 0.037 0.000 2.432 425 Y HA 0.590 5.140 4.550 0.001 0.000 0.322 425 Y C 1.209 177.130 175.900 0.035 0.000 1.246 425 Y CA -1.001 57.122 58.100 0.039 0.000 1.268 425 Y CB 1.502 39.991 38.460 0.047 0.000 1.276 425 Y HN 0.003 nan 8.280 nan 0.000 0.499 426 G N 0.879 109.805 108.800 0.211 0.000 5.569 426 G HA2 0.104 4.065 3.960 0.001 0.000 0.192 426 G HA3 0.104 4.065 3.960 0.001 0.000 0.192 426 G C -0.167 174.703 174.900 -0.049 0.000 0.708 426 G CA -0.245 44.895 45.100 0.067 0.000 0.628 426 G HN 0.548 nan 8.290 nan 0.000 0.345 427 L N 0.644 121.859 121.223 -0.014 0.000 2.049 427 L HA 0.735 5.076 4.340 0.001 0.000 0.203 427 L C 1.189 177.963 176.870 -0.161 0.000 1.074 427 L CA 2.294 57.072 54.840 -0.103 0.000 0.749 427 L CB -0.034 42.018 42.059 -0.012 0.000 0.907 427 L HN 0.434 nan 8.230 nan 0.000 0.439 428 A N -2.138 120.642 122.820 -0.066 0.000 2.583 428 A HA 0.907 5.227 4.320 0.001 0.000 0.289 428 A C -1.383 176.162 177.584 -0.065 0.000 1.151 428 A CA -0.087 51.851 52.037 -0.165 0.000 0.695 428 A CB 1.056 19.993 19.000 -0.105 0.000 1.290 428 A HN 0.500 nan 8.150 nan 0.000 0.419 429 A N -1.243 121.505 122.820 -0.119 0.000 2.566 429 A HA 1.004 5.324 4.320 0.001 0.000 0.290 429 A C -0.702 176.951 177.584 0.115 0.000 1.071 429 A CA 0.089 52.160 52.037 0.056 0.000 0.658 429 A CB 0.566 19.549 19.000 -0.028 0.000 1.285 429 A HN 2.699 nan 8.150 nan 0.000 0.427 430 A N -0.485 122.507 122.820 0.286 0.000 2.606 430 A HA 0.811 5.132 4.320 0.001 0.000 0.293 430 A C -1.608 176.175 177.584 0.332 0.000 1.082 430 A CA -0.442 51.819 52.037 0.373 0.000 0.685 430 A CB 1.491 20.926 19.000 0.725 0.000 1.284 430 A HN 1.865 nan 8.150 nan 0.000 0.408 431 V N 0.781 120.846 119.914 0.251 0.000 2.733 431 V HA 0.554 4.674 4.120 0.001 0.000 0.306 431 V C -1.684 174.496 176.094 0.142 0.000 1.084 431 V CA -0.282 62.156 62.300 0.230 0.000 0.905 431 V CB 1.652 33.542 31.823 0.111 0.000 1.010 431 V HN 0.719 nan 8.190 nan 0.000 0.424 432 F N 2.744 122.797 119.950 0.171 0.000 2.402 432 F HA 0.791 5.318 4.527 0.001 0.000 0.355 432 F C 0.357 176.252 175.800 0.158 0.000 1.123 432 F CA -0.232 57.879 58.000 0.185 0.000 1.021 432 F CB 2.027 41.141 39.000 0.190 0.000 1.160 432 F HN 0.528 nan 8.300 nan 0.000 0.451 433 T N 1.951 116.629 114.554 0.208 0.000 2.827 433 T HA 0.295 4.645 4.350 0.001 0.000 0.328 433 T C 0.040 174.805 174.700 0.109 0.000 1.598 433 T CA -0.666 61.531 62.100 0.162 0.000 1.043 433 T CB 1.532 70.481 68.868 0.134 0.000 1.447 433 T HN 0.643 nan 8.240 nan 0.000 0.491 434 K N 0.587 121.043 120.400 0.093 0.000 2.354 434 K HA 0.197 4.517 4.320 0.001 0.000 0.194 434 K C -0.258 176.369 176.600 0.045 0.000 1.038 434 K CA -0.082 56.242 56.287 0.061 0.000 1.052 434 K CB 0.292 32.827 32.500 0.059 0.000 0.861 434 K HN 0.501 nan 8.250 nan 0.000 0.535 435 D N 0.942 121.374 120.400 0.053 0.000 2.295 435 D HA 0.016 4.657 4.640 0.001 0.000 0.248 435 D C 0.827 177.151 176.300 0.040 0.000 1.154 435 D CA -0.251 53.775 54.000 0.042 0.000 0.857 435 D CB 1.098 41.925 40.800 0.045 0.000 1.117 435 D HN -0.170 nan 8.370 nan 0.000 0.468 436 L N 4.181 125.422 121.223 0.030 0.000 1.970 436 L HA -0.150 4.191 4.340 0.001 0.000 0.212 436 L C 1.339 178.233 176.870 0.040 0.000 1.071 436 L CA 1.940 56.797 54.840 0.028 0.000 0.751 436 L CB -0.480 41.591 42.059 0.020 0.000 0.889 436 L HN 0.515 nan 8.230 nan 0.000 0.432 437 D N -0.358 120.065 120.400 0.039 0.000 2.149 437 D HA -0.196 4.445 4.640 0.001 0.000 0.198 437 D C 2.183 178.532 176.300 0.082 0.000 0.990 437 D CA 1.364 55.395 54.000 0.051 0.000 0.839 437 D CB -0.049 40.767 40.800 0.026 0.000 0.948 437 D HN 0.433 nan 8.370 nan 0.000 0.460 438 K N 0.587 121.028 120.400 0.070 0.000 2.057 438 K HA -0.029 4.292 4.320 0.001 0.000 0.206 438 K C 2.176 178.857 176.600 0.135 0.000 1.050 438 K CA 1.075 57.424 56.287 0.103 0.000 0.935 438 K CB -0.062 32.489 32.500 0.084 0.000 0.715 438 K HN 0.010 nan 8.250 nan 0.000 0.439 439 A N 1.951 124.824 122.820 0.089 0.000 1.877 439 A HA -0.197 4.123 4.320 0.001 0.000 0.216 439 A C 1.855 179.473 177.584 0.056 0.000 1.186 439 A CA 1.701 53.776 52.037 0.064 0.000 0.620 439 A CB -0.477 18.544 19.000 0.036 0.000 0.822 439 A HN 0.221 nan 8.150 nan 0.000 0.443 440 N N -1.666 117.073 118.700 0.065 0.000 2.216 440 N HA -0.130 4.611 4.740 0.001 0.000 0.183 440 N C 1.598 177.148 175.510 0.066 0.000 1.017 440 N CA 1.531 54.610 53.050 0.050 0.000 0.861 440 N CB -0.554 37.962 38.487 0.048 0.000 0.986 440 N HN 0.656 nan 8.380 nan 0.000 0.428 441 Y N 1.689 121.986 120.300 -0.005 0.000 2.128 441 Y HA -0.097 4.453 4.550 0.001 0.000 0.284 441 Y C 2.206 178.095 175.900 -0.017 0.000 1.154 441 Y CA 1.424 59.519 58.100 -0.007 0.000 1.149 441 Y CB -0.427 38.033 38.460 0.000 0.000 0.976 441 Y HN -0.037 nan 8.280 nan 0.000 0.505 442 L N -0.361 120.900 121.223 0.063 0.000 2.027 442 L HA -0.210 4.131 4.340 0.001 0.000 0.206 442 L C 2.785 179.589 176.870 -0.111 0.000 1.074 442 L CA 1.612 56.425 54.840 -0.046 0.000 0.745 442 L CB -0.875 41.217 42.059 0.055 0.000 0.898 442 L HN 0.382 nan 8.230 nan 0.000 0.433 443 S N -0.978 114.680 115.700 -0.070 0.000 2.419 443 S HA -0.303 4.168 4.470 0.001 0.000 0.235 443 S C 1.865 176.393 174.600 -0.120 0.000 1.019 443 S CA 1.527 59.670 58.200 -0.095 0.000 0.982 443 S CB -0.351 62.805 63.200 -0.073 0.000 0.789 443 S HN 0.526 nan 8.310 nan 0.000 0.490 444 Q N 0.590 120.311 119.800 -0.132 0.000 2.204 444 Q HA 0.215 4.555 4.340 0.001 0.000 0.198 444 Q C 2.195 178.091 176.000 -0.174 0.000 0.946 444 Q CA 0.812 56.535 55.803 -0.134 0.000 0.859 444 Q CB -0.322 28.345 28.738 -0.119 0.000 0.946 444 Q HN 0.702 nan 8.270 nan 0.000 0.474 445 A N 0.696 123.351 122.820 -0.275 0.000 1.970 445 A HA 0.113 4.433 4.320 0.001 0.000 0.216 445 A C 0.955 178.429 177.584 -0.183 0.000 1.170 445 A CA 0.066 51.929 52.037 -0.289 0.000 0.645 445 A CB -0.284 18.405 19.000 -0.518 0.000 0.816 445 A HN 0.341 nan 8.150 nan 0.000 0.447 446 L N 1.038 122.159 121.223 -0.171 0.000 2.513 446 L HA 0.037 4.377 4.340 0.001 0.000 0.272 446 L C 0.082 176.875 176.870 -0.129 0.000 1.187 446 L CA -0.072 54.684 54.840 -0.140 0.000 0.895 446 L CB 0.435 42.410 42.059 -0.140 0.000 1.147 446 L HN 0.396 nan 8.230 nan 0.000 0.483 447 Q N 3.688 123.438 119.800 -0.083 0.000 2.835 447 Q HA 0.505 4.845 4.340 0.001 0.000 0.235 447 Q C -0.386 175.464 176.000 -0.250 0.000 1.313 447 Q CA -0.248 55.548 55.803 -0.012 0.000 1.053 447 Q CB 0.813 29.631 28.738 0.133 0.000 1.443 447 Q HN 0.689 nan 8.270 nan 0.000 0.576 448 A N -0.153 122.289 122.820 -0.630 0.000 2.539 448 A HA 0.695 5.015 4.320 0.001 0.000 0.296 448 A C 0.884 177.804 177.584 -1.107 0.000 1.073 448 A CA -0.461 51.142 52.037 -0.723 0.000 0.700 448 A CB 1.236 20.000 19.000 -0.393 0.000 1.296 448 A HN 0.558 nan 8.150 nan 0.000 0.405 449 G N -0.099 108.174 108.800 -0.877 0.000 2.443 449 G HA2 0.301 4.262 3.960 0.001 0.000 0.219 449 G HA3 0.301 4.262 3.960 0.001 0.000 0.219 449 G C 0.457 175.060 174.900 -0.495 0.000 1.131 449 G CA 1.598 46.313 45.100 -0.642 0.000 0.775 449 G HN 0.828 nan 8.290 nan 0.000 0.547 450 T N -0.266 113.968 114.554 -0.534 0.000 2.928 450 T HA 0.510 4.860 4.350 0.001 0.000 0.296 450 T C -1.180 173.067 174.700 -0.755 0.000 1.000 450 T CA -0.408 61.300 62.100 -0.653 0.000 0.989 450 T CB 2.769 71.150 68.868 -0.811 0.000 1.005 450 T HN -0.115 nan 8.240 nan 0.000 0.442 451 V N 3.791 123.317 119.914 -0.647 0.000 2.407 451 V HA 0.467 4.587 4.120 0.001 0.000 0.291 451 V C -0.757 175.089 176.094 -0.413 0.000 1.018 451 V CA -0.944 61.082 62.300 -0.457 0.000 0.842 451 V CB 1.373 33.038 31.823 -0.265 0.000 0.996 451 V HN 0.764 nan 8.190 nan 0.000 0.426 452 W N 3.506 124.693 121.300 -0.188 0.000 2.449 452 W HA 0.686 5.347 4.660 0.001 0.000 0.331 452 W C -0.631 175.793 176.519 -0.159 0.000 1.119 452 W CA -0.705 56.525 57.345 -0.191 0.000 1.240 452 W CB 1.946 31.258 29.460 -0.247 0.000 1.251 452 W HN 0.254 nan 8.180 nan 0.000 0.576 453 V N 3.985 123.930 119.914 0.051 0.000 2.407 453 V HA 0.137 4.258 4.120 0.001 0.000 0.291 453 V C 0.046 176.009 176.094 -0.219 0.000 1.018 453 V CA -1.024 61.222 62.300 -0.090 0.000 0.842 453 V CB 1.131 32.925 31.823 -0.048 0.000 0.996 453 V HN 0.678 nan 8.190 nan 0.000 0.426 454 N N 2.019 120.343 118.700 -0.626 0.000 2.725 454 N HA -0.174 4.566 4.740 0.001 0.000 0.249 454 N C -0.302 175.068 175.510 -0.234 0.000 1.103 454 N CA 1.270 53.871 53.050 -0.748 0.000 0.707 454 N CB -1.097 37.300 38.487 -0.151 0.000 1.043 454 N HN 1.129 nan 8.380 nan 0.000 0.553 455 C N -4.205 114.902 119.300 -0.321 0.000 3.211 455 C HA 0.793 5.253 4.460 0.001 0.000 0.350 455 C C -1.243 173.787 174.990 0.067 0.000 1.413 455 C CA -1.344 57.736 59.018 0.103 0.000 1.203 455 C CB 1.649 29.427 27.740 0.064 0.000 1.506 455 C HN 0.291 nan 8.230 nan 0.000 0.448 456 Y N -0.074 120.014 120.300 -0.354 0.000 2.592 456 Y HA 0.465 5.016 4.550 0.001 0.000 0.334 456 Y C -0.418 174.820 175.900 -1.104 0.000 1.136 456 Y CA 0.413 58.060 58.100 -0.755 0.000 1.042 456 Y CB 1.344 39.718 38.460 -0.144 0.000 1.325 456 Y HN 1.037 nan 8.280 nan 0.000 0.457 457 D N 1.830 121.010 120.400 -2.034 0.000 2.751 457 D HA -0.135 4.505 4.640 0.001 0.000 0.233 457 D C -0.934 174.951 176.300 -0.691 0.000 1.149 457 D CA 0.997 54.383 54.000 -1.023 0.000 0.682 457 D CB -1.079 39.729 40.800 0.014 0.000 1.068 457 D HN 0.166 nan 8.370 nan 0.000 0.429 458 V N 1.321 120.617 119.914 -1.030 0.000 2.322 458 V HA 0.277 4.397 4.120 0.001 0.000 0.258 458 V C 0.413 176.414 176.094 -0.156 0.000 1.074 458 V CA -0.302 61.791 62.300 -0.344 0.000 0.909 458 V CB -0.203 31.489 31.823 -0.219 0.000 1.090 458 V HN -0.011 nan 8.190 nan 0.000 0.486 459 F N 2.454 122.416 119.950 0.021 0.000 2.436 459 F HA 0.754 5.281 4.527 0.001 0.000 0.340 459 F C 0.892 176.676 175.800 -0.026 0.000 1.113 459 F CA -0.479 57.525 58.000 0.006 0.000 1.022 459 F CB 1.866 40.852 39.000 -0.023 0.000 1.128 459 F HN 0.474 nan 8.300 nan 0.000 0.466 460 G N 0.616 109.466 108.800 0.085 0.000 2.420 460 G HA2 0.517 4.478 3.960 0.001 0.000 0.331 460 G HA3 0.517 4.478 3.960 0.001 0.000 0.331 460 G C 0.380 175.200 174.900 -0.133 0.000 1.168 460 G CA -0.477 44.611 45.100 -0.021 0.000 0.936 460 G HN 0.869 nan 8.290 nan 0.000 0.479 461 A N 1.184 123.868 122.820 -0.227 0.000 2.070 461 A HA -0.081 4.240 4.320 0.001 0.000 0.220 461 A C 2.191 179.221 177.584 -0.924 0.000 1.159 461 A CA 1.818 53.592 52.037 -0.438 0.000 0.656 461 A CB -0.139 18.630 19.000 -0.386 0.000 0.800 461 A HN 0.636 nan 8.150 nan 0.000 0.453 462 Q N -0.352 118.966 119.800 -0.803 0.000 2.389 462 Q HA 0.127 4.468 4.340 0.001 0.000 0.204 462 Q C 0.107 176.028 176.000 -0.132 0.000 0.944 462 Q CA 0.560 56.002 55.803 -0.602 0.000 0.908 462 Q CB -0.392 28.185 28.738 -0.268 0.000 1.002 462 Q HN 0.384 nan 8.270 nan 0.000 0.493 463 S N 3.855 119.487 115.700 -0.113 0.000 2.462 463 S HA 0.422 4.892 4.470 0.001 0.000 0.294 463 S C -2.415 172.170 174.600 -0.024 0.000 1.144 463 S CA -1.231 56.953 58.200 -0.027 0.000 1.088 463 S CB 1.554 64.730 63.200 -0.041 0.000 1.009 463 S HN 0.149 nan 8.310 nan 0.000 0.484 464 P HA 0.199 nan 4.420 nan 0.000 0.269 464 P C -0.994 176.305 177.300 -0.001 0.000 1.209 464 P CA -0.178 62.891 63.100 -0.052 0.000 0.776 464 P CB 0.316 31.821 31.700 -0.325 0.000 0.876 465 F N 1.781 121.633 119.950 -0.163 0.000 2.585 465 F HA 0.667 5.195 4.527 0.001 0.000 0.319 465 F C -0.402 175.356 175.800 -0.070 0.000 1.165 465 F CA 0.043 57.973 58.000 -0.118 0.000 0.949 465 F CB 1.840 40.809 39.000 -0.052 0.000 1.218 465 F HN 0.623 nan 8.300 nan 0.000 0.453 466 G N 2.223 110.634 108.800 -0.648 0.000 2.441 466 G HA2 0.540 4.501 3.960 0.001 0.000 0.294 466 G HA3 0.540 4.501 3.960 0.001 0.000 0.294 466 G C -1.612 173.038 174.900 -0.417 0.000 1.393 466 G CA -0.211 44.590 45.100 -0.499 0.000 0.796 466 G HN 1.023 nan 8.290 nan 0.000 0.494 467 G N -1.670 107.005 108.800 -0.207 0.000 2.600 467 G HA2 0.633 4.593 3.960 0.001 0.000 0.303 467 G HA3 0.633 4.593 3.960 0.001 0.000 0.303 467 G C -1.577 173.424 174.900 0.169 0.000 1.253 467 G CA -0.630 44.425 45.100 -0.074 0.000 0.974 467 G HN 0.396 nan 8.290 nan 0.000 0.483 468 Y N 0.399 120.650 120.300 -0.082 0.000 2.488 468 Y HA 0.474 5.024 4.550 0.001 0.000 0.325 468 Y C 1.347 177.229 175.900 -0.030 0.000 1.204 468 Y CA -1.201 56.862 58.100 -0.061 0.000 1.229 468 Y CB 1.435 39.858 38.460 -0.062 0.000 1.274 468 Y HN 0.855 nan 8.280 nan 0.000 0.493 469 K N -0.437 120.016 120.400 0.088 0.000 1.939 469 K HA -0.316 4.004 4.320 0.001 0.000 0.165 469 K C 0.443 177.058 176.600 0.025 0.000 1.508 469 K CA 1.750 58.056 56.287 0.032 0.000 0.525 469 K CB -1.078 31.446 32.500 0.041 0.000 0.615 469 K HN 0.641 nan 8.250 nan 0.000 0.888 470 M N 1.271 120.872 119.600 0.001 0.000 2.654 470 M HA 0.029 4.509 4.480 0.001 0.000 0.217 470 M C 0.501 176.868 176.300 0.111 0.000 1.183 470 M CA 0.446 55.745 55.300 -0.002 0.000 0.991 470 M CB 0.089 32.623 32.600 -0.110 0.000 1.749 470 M HN 0.320 nan 8.290 nan 0.000 0.475 471 S N 0.101 115.896 115.700 0.158 0.000 2.556 471 S HA 0.403 4.873 4.470 0.001 0.000 0.216 471 S C 0.777 175.438 174.600 0.102 0.000 0.970 471 S CA 0.311 58.633 58.200 0.202 0.000 0.912 471 S CB 0.363 63.662 63.200 0.166 0.000 0.790 471 S HN 0.777 nan 8.310 nan 0.000 0.504 472 G N 1.292 110.140 108.800 0.079 0.000 2.408 472 G HA2 0.085 4.045 3.960 0.001 0.000 0.682 472 G HA3 0.085 4.045 3.960 0.001 0.000 0.682 472 G C -0.734 174.179 174.900 0.022 0.000 1.303 472 G CA -0.541 44.591 45.100 0.053 0.000 0.966 472 G HN 0.682 nan 8.290 nan 0.000 0.560 473 S N -0.925 114.781 115.700 0.010 0.000 2.599 473 S HA 1.037 5.508 4.470 0.001 0.000 0.294 473 S C 0.566 175.157 174.600 -0.016 0.000 1.094 473 S CA 0.414 58.608 58.200 -0.011 0.000 0.931 473 S CB 1.644 64.833 63.200 -0.018 0.000 1.093 473 S HN 2.979 nan 8.310 nan 0.000 0.488 474 G N 1.170 109.956 108.800 -0.024 0.000 2.787 474 G HA2 0.033 3.993 3.960 0.001 0.000 0.685 474 G HA3 0.033 3.993 3.960 0.001 0.000 0.685 474 G C -1.153 173.733 174.900 -0.024 0.000 1.437 474 G CA -0.935 44.151 45.100 -0.022 0.000 0.872 474 G HN 0.761 nan 8.290 nan 0.000 0.566 475 R N 0.381 120.879 120.500 -0.003 0.000 2.854 475 R HA 0.690 5.030 4.340 0.001 0.000 0.271 475 R C -0.093 176.234 176.300 0.045 0.000 0.994 475 R CA -0.741 55.355 56.100 -0.008 0.000 0.945 475 R CB 1.854 32.142 30.300 -0.019 0.000 1.194 475 R HN 0.764 nan 8.270 nan 0.000 0.476 476 E N 1.147 121.370 120.200 0.038 0.000 2.336 476 E HA 0.553 4.904 4.350 0.001 0.000 0.267 476 E C -0.527 176.073 176.600 0.000 0.000 0.906 476 E CA -0.923 55.504 56.400 0.046 0.000 0.781 476 E CB 2.164 31.882 29.700 0.030 0.000 1.261 476 E HN 0.330 nan 8.360 nan 0.000 0.436 477 L N 0.204 121.452 121.223 0.041 0.000 0.585 477 L HA -0.258 4.083 4.340 0.001 0.000 0.356 477 L C 0.538 177.522 176.870 0.190 0.000 1.004 477 L CA 0.845 55.720 54.840 0.059 0.000 1.223 477 L CB -1.112 40.794 42.059 -0.255 0.000 0.012 477 L HN 1.021 nan 8.230 nan 0.000 0.091 478 G N 0.740 109.645 108.800 0.175 0.000 2.752 478 G HA2 -0.286 3.674 3.960 0.001 0.000 0.234 478 G HA3 -0.286 3.674 3.960 0.001 0.000 0.234 478 G C 0.403 175.533 174.900 0.383 0.000 1.367 478 G CA 0.824 46.135 45.100 0.352 0.000 0.879 478 G HN 1.154 nan 8.290 nan 0.000 0.563 479 E N -0.993 119.384 120.200 0.295 0.000 2.153 479 E HA -0.129 4.221 4.350 0.001 0.000 0.194 479 E C 2.095 178.533 176.600 -0.269 0.000 0.988 479 E CA 1.839 58.105 56.400 -0.222 0.000 0.811 479 E CB -0.165 29.446 29.700 -0.148 0.000 0.746 479 E HN 0.624 nan 8.360 nan 0.000 0.466 480 Y N -0.320 119.970 120.300 -0.016 0.000 2.333 480 Y HA -0.037 4.513 4.550 0.001 0.000 0.290 480 Y C 2.425 178.305 175.900 -0.032 0.000 1.144 480 Y CA 1.036 59.127 58.100 -0.016 0.000 1.228 480 Y CB -0.655 37.815 38.460 0.016 0.000 0.985 480 Y HN 0.146 nan 8.280 nan 0.000 0.542 481 G N -0.207 108.692 108.800 0.166 0.000 2.471 481 G HA2 -0.154 3.807 3.960 0.001 0.000 0.219 481 G HA3 -0.154 3.807 3.960 0.001 0.000 0.219 481 G C 1.539 176.472 174.900 0.055 0.000 1.125 481 G CA 0.658 45.846 45.100 0.148 0.000 0.775 481 G HN 0.388 nan 8.290 nan 0.000 0.548 482 L N -0.447 120.664 121.223 -0.187 0.000 2.179 482 L HA -0.012 4.328 4.340 0.001 0.000 0.208 482 L C 3.036 179.717 176.870 -0.316 0.000 1.096 482 L CA 0.566 55.144 54.840 -0.437 0.000 0.779 482 L CB -0.393 40.937 42.059 -1.214 0.000 0.922 482 L HN 0.255 nan 8.230 nan 0.000 0.443 483 Q N 0.383 120.062 119.800 -0.202 0.000 2.061 483 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 483 Q C 2.412 178.367 176.000 -0.075 0.000 0.984 483 Q CA 1.803 57.572 55.803 -0.056 0.000 0.846 483 Q CB -0.360 28.375 28.738 -0.004 0.000 0.902 483 Q HN 0.553 nan 8.270 nan 0.000 0.421 484 A N -0.036 122.719 122.820 -0.107 0.000 2.070 484 A HA -0.142 4.178 4.320 0.001 0.000 0.220 484 A C 0.880 178.188 177.584 -0.459 0.000 1.159 484 A CA 0.996 52.873 52.037 -0.266 0.000 0.656 484 A CB -0.347 18.457 19.000 -0.327 0.000 0.800 484 A HN 0.426 nan 8.150 nan 0.000 0.453 485 Y N -0.221 120.031 120.300 -0.080 0.000 2.658 485 Y HA 0.273 4.824 4.550 0.001 0.000 0.276 485 Y C 0.274 176.155 175.900 -0.030 0.000 1.167 485 Y CA -0.002 58.061 58.100 -0.062 0.000 1.230 485 Y CB 0.394 38.804 38.460 -0.082 0.000 1.144 485 Y HN 0.048 nan 8.280 nan 0.000 0.529 486 T N 0.269 114.844 114.554 0.035 0.000 2.900 486 T HA 0.408 4.758 4.350 0.001 0.000 0.295 486 T C -0.737 173.963 174.700 0.001 0.000 1.044 486 T CA -0.978 61.156 62.100 0.057 0.000 0.995 486 T CB 2.066 70.987 68.868 0.088 0.000 1.072 486 T HN -0.066 nan 8.240 nan 0.000 0.473 487 K N 1.634 122.054 120.400 0.032 0.000 2.244 487 K HA 0.663 4.984 4.320 0.001 0.000 0.260 487 K C -1.071 175.539 176.600 0.016 0.000 0.951 487 K CA -0.703 55.595 56.287 0.018 0.000 0.826 487 K CB 1.846 34.380 32.500 0.057 0.000 1.108 487 K HN 0.276 nan 8.250 nan 0.000 0.433 488 V N 4.196 124.104 119.914 -0.010 0.000 2.364 488 V HA 0.208 4.329 4.120 0.001 0.000 0.272 488 V C -0.121 175.991 176.094 0.031 0.000 1.036 488 V CA -0.517 61.800 62.300 0.028 0.000 0.880 488 V CB 1.010 32.831 31.823 -0.003 0.000 0.991 488 V HN 0.622 nan 8.190 nan 0.000 0.460 489 K N 3.527 123.958 120.400 0.050 0.000 2.235 489 K HA 0.521 4.841 4.320 0.001 0.000 0.266 489 K C -0.545 176.021 176.600 -0.058 0.000 0.980 489 K CA -0.348 55.937 56.287 -0.002 0.000 0.849 489 K CB 1.332 33.838 32.500 0.011 0.000 1.098 489 K HN 0.653 nan 8.250 nan 0.000 0.445 490 T N 3.175 117.658 114.554 -0.118 0.000 2.767 490 T HA 0.294 4.645 4.350 0.001 0.000 0.284 490 T C -0.793 173.707 174.700 -0.333 0.000 0.973 490 T CA -0.580 61.392 62.100 -0.214 0.000 0.996 490 T CB 1.206 69.971 68.868 -0.172 0.000 0.927 490 T HN 0.306 nan 8.240 nan 0.000 0.456 491 V N 4.161 123.696 119.914 -0.630 0.000 2.378 491 V HA 0.415 4.536 4.120 0.001 0.000 0.288 491 V C 0.179 175.851 176.094 -0.704 0.000 1.016 491 V CA -0.724 61.150 62.300 -0.711 0.000 0.840 491 V CB 1.618 32.855 31.823 -0.977 0.000 0.994 491 V HN 0.940 nan 8.190 nan 0.000 0.431 492 T N 4.890 119.218 114.554 -0.378 0.000 2.788 492 T HA 0.532 4.883 4.350 0.001 0.000 0.296 492 T C -0.251 174.404 174.700 -0.076 0.000 1.009 492 T CA -0.297 61.651 62.100 -0.253 0.000 0.949 492 T CB 1.253 69.958 68.868 -0.272 0.000 0.946 492 T HN 0.341 nan 8.240 nan 0.000 0.453 493 V N 3.993 123.946 119.914 0.066 0.000 2.483 493 V HA 0.438 4.558 4.120 0.001 0.000 0.295 493 V C 0.439 176.753 176.094 0.367 0.000 1.035 493 V CA -1.162 61.266 62.300 0.213 0.000 0.896 493 V CB 1.741 33.728 31.823 0.274 0.000 0.986 493 V HN 0.723 nan 8.190 nan 0.000 0.447 494 K N 3.916 124.511 120.400 0.325 0.000 2.379 494 K HA 0.472 4.793 4.320 0.001 0.000 0.284 494 K C -0.533 176.111 176.600 0.073 0.000 1.044 494 K CA -0.232 56.179 56.287 0.206 0.000 0.974 494 K CB 0.950 33.546 32.500 0.159 0.000 0.962 494 K HN 0.670 nan 8.250 nan 0.000 0.474 495 V N 1.951 121.841 119.914 -0.041 0.000 3.046 495 V HA 0.416 4.537 4.120 0.001 0.000 0.316 495 V C -2.108 173.939 176.094 -0.078 0.000 1.104 495 V CA -1.925 60.364 62.300 -0.018 0.000 1.006 495 V CB 1.241 33.078 31.823 0.024 0.000 1.058 495 V HN 0.667 nan 8.190 nan 0.000 0.440 496 P HA -0.065 nan 4.420 nan 0.000 0.214 496 P C 0.047 177.304 177.300 -0.072 0.000 1.163 496 P CA 1.330 64.397 63.100 -0.056 0.000 0.883 496 P CB 0.133 31.811 31.700 -0.038 0.000 0.788 497 Q N -1.256 118.506 119.800 -0.065 0.000 2.418 497 Q HA 0.143 4.483 4.340 0.001 0.000 0.240 497 Q C -1.139 174.831 176.000 -0.050 0.000 0.859 497 Q CA -0.682 55.083 55.803 -0.063 0.000 0.916 497 Q CB 1.049 29.759 28.738 -0.048 0.000 1.448 497 Q HN -0.205 nan 8.270 nan 0.000 0.439 498 K N 3.633 124.002 120.400 -0.051 0.000 2.368 498 K HA 0.271 4.592 4.320 0.001 0.000 0.282 498 K C -1.084 175.508 176.600 -0.015 0.000 1.035 498 K CA 0.255 56.528 56.287 -0.023 0.000 0.973 498 K CB 0.551 33.047 32.500 -0.007 0.000 0.957 498 K HN 0.679 nan 8.250 nan 0.000 0.474 499 N N 1.388 120.081 118.700 -0.010 0.000 2.229 499 N HA 0.113 4.854 4.740 0.001 0.000 0.298 499 N C -0.563 174.946 175.510 -0.002 0.000 1.114 499 N CA -0.463 52.581 53.050 -0.009 0.000 0.776 499 N CB 1.857 40.334 38.487 -0.018 0.000 1.501 499 N HN 0.660 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.701 115.700 0.001 0.000 2.498 500 S HA 0.000 4.470 4.470 0.001 0.000 0.327 500 S CA 0.000 58.203 58.200 0.006 0.000 1.107 500 S CB 0.000 63.203 63.200 0.006 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517