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 2ono_1_B 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 GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP 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 0.000 177.602 177.584 0.029 0.000 1.274 7 A CA 0.000 52.062 52.037 0.042 0.000 0.836 7 A CB 0.000 19.026 19.000 0.044 0.000 0.831 8 V N 2.332 122.237 119.914 -0.013 0.000 2.435 8 V HA 0.602 4.724 4.120 0.002 0.000 0.290 8 V C -1.952 174.055 176.094 -0.146 0.000 1.030 8 V CA -1.585 60.622 62.300 -0.156 0.000 0.881 8 V CB 1.144 32.886 31.823 -0.137 0.000 0.983 8 V HN 0.769 nan 8.190 nan 0.000 0.445 9 P HA 0.330 nan 4.420 nan 0.000 0.271 9 P C -0.125 177.177 177.300 0.003 0.000 1.218 9 P CA -0.150 62.884 63.100 -0.111 0.000 0.780 9 P CB 0.449 32.081 31.700 -0.115 0.000 0.901 10 A N 4.804 127.627 122.820 0.005 0.000 2.587 10 A HA 0.232 4.553 4.320 0.002 0.000 0.235 10 A C -1.748 175.783 177.584 -0.088 0.000 1.044 10 A CA -0.502 51.517 52.037 -0.030 0.000 0.754 10 A CB -1.225 17.748 19.000 -0.046 0.000 0.968 10 A HN 0.447 nan 8.150 nan 0.000 0.509 11 P HA 0.166 nan 4.420 nan 0.000 0.282 11 P C -0.872 176.179 177.300 -0.414 0.000 1.249 11 P CA -0.679 62.016 63.100 -0.676 0.000 0.806 11 P CB 0.813 31.689 31.700 -1.374 0.000 0.984 12 N N 2.278 120.801 118.700 -0.296 0.000 2.589 12 N HA 0.037 4.778 4.740 0.002 0.000 0.232 12 N C 1.038 176.250 175.510 -0.498 0.000 1.015 12 N CA -0.140 52.748 53.050 -0.269 0.000 0.931 12 N CB 0.562 39.011 38.487 -0.065 0.000 1.150 12 N HN 0.230 nan 8.380 nan 0.000 0.512 13 Q N 1.738 121.067 119.800 -0.784 0.000 2.364 13 Q HA -0.085 4.256 4.340 0.002 0.000 0.207 13 Q C -0.165 175.507 176.000 -0.546 0.000 0.970 13 Q CA 0.951 55.975 55.803 -1.298 0.000 0.888 13 Q CB 0.247 28.365 28.738 -1.033 0.000 0.951 13 Q HN 0.633 nan 8.270 nan 0.000 0.469 14 Q N 1.251 120.872 119.800 -0.298 0.000 2.943 14 Q HA 0.235 4.576 4.340 0.002 0.000 0.327 14 Q C -2.394 173.554 176.000 -0.085 0.000 0.937 14 Q CA -1.510 54.205 55.803 -0.147 0.000 0.914 14 Q CB 1.344 30.006 28.738 -0.127 0.000 1.339 14 Q HN 0.107 nan 8.270 nan 0.000 0.417 15 P HA -0.050 nan 4.420 nan 0.000 0.271 15 P C -0.362 176.932 177.300 -0.009 0.000 1.216 15 P CA -0.062 63.068 63.100 0.050 0.000 0.776 15 P CB 0.975 32.687 31.700 0.020 0.000 0.881 16 E N 1.472 121.657 120.200 -0.025 0.000 2.383 16 E HA 0.194 4.545 4.350 0.002 0.000 0.264 16 E C -0.815 175.381 176.600 -0.673 0.000 1.050 16 E CA -0.612 55.542 56.400 -0.411 0.000 0.896 16 E CB 0.597 29.939 29.700 -0.595 0.000 0.982 16 E HN 0.132 nan 8.360 nan 0.000 0.424 17 V N 5.901 125.426 119.914 -0.649 0.000 2.383 17 V HA 0.146 4.267 4.120 0.002 0.000 0.275 17 V C -0.066 175.654 176.094 -0.623 0.000 1.036 17 V CA -0.107 61.908 62.300 -0.474 0.000 0.889 17 V CB 0.725 32.404 31.823 -0.239 0.000 0.985 17 V HN 0.708 nan 8.190 nan 0.000 0.459 18 F N 1.577 121.522 119.950 -0.008 0.000 2.712 18 F HA 0.295 4.824 4.527 0.003 0.000 0.297 18 F C 0.927 176.610 175.800 -0.195 0.000 1.114 18 F CA -0.146 57.815 58.000 -0.065 0.000 1.305 18 F CB 0.348 39.348 39.000 0.001 0.000 1.086 18 F HN 0.370 nan 8.300 nan 0.000 0.599 19 C N 1.869 121.151 119.300 -0.030 0.000 2.441 19 C HA 0.487 4.949 4.460 0.002 0.000 0.318 19 C C 0.348 175.225 174.990 -0.189 0.000 1.222 19 C CA -0.766 58.034 59.018 -0.363 0.000 1.474 19 C CB 0.926 28.426 27.740 -0.400 0.000 2.125 19 C HN 0.563 nan 8.230 nan 0.000 0.479 20 N N 0.811 119.383 118.700 -0.213 0.000 2.228 20 N HA 0.036 4.777 4.740 0.002 0.000 0.237 20 N C -0.462 175.055 175.510 0.011 0.000 1.382 20 N CA -0.254 52.748 53.050 -0.080 0.000 0.787 20 N CB -0.037 38.378 38.487 -0.120 0.000 1.320 20 N HN 0.804 nan 8.380 nan 0.000 0.507 21 Q N 0.013 119.891 119.800 0.131 0.000 3.106 21 Q HA 0.600 4.941 4.340 0.002 0.000 0.247 21 Q C -0.526 175.770 176.000 0.493 0.000 1.033 21 Q CA -0.944 55.041 55.803 0.303 0.000 0.888 21 Q CB 1.697 30.645 28.738 0.350 0.000 1.586 21 Q HN 0.128 nan 8.270 nan 0.000 0.482 22 I N 1.126 121.969 120.570 0.456 0.000 2.353 22 I HA 0.214 4.386 4.170 0.002 0.000 0.293 22 I C -0.927 175.406 176.117 0.360 0.000 0.992 22 I CA -0.349 61.166 61.300 0.358 0.000 1.268 22 I CB 0.703 38.835 38.000 0.220 0.000 1.387 22 I HN 0.357 nan 8.210 nan 0.000 0.478 23 F N 8.261 128.210 119.950 -0.001 0.000 2.350 23 F HA 0.583 5.111 4.527 0.002 0.000 0.365 23 F C -0.433 175.264 175.800 -0.172 0.000 1.122 23 F CA -0.434 57.382 58.000 -0.307 0.000 1.139 23 F CB 0.294 38.999 39.000 -0.492 0.000 1.220 23 F HN 0.179 nan 8.300 nan 0.000 0.499 24 I N 5.717 126.015 120.570 -0.454 0.000 2.534 24 I HA 0.188 4.359 4.170 0.002 0.000 0.288 24 I C -0.360 175.515 176.117 -0.403 0.000 1.077 24 I CA -1.029 60.025 61.300 -0.411 0.000 1.051 24 I CB 1.810 39.559 38.000 -0.418 0.000 1.234 24 I HN 0.476 nan 8.210 nan 0.000 0.425 25 N N 4.700 123.144 118.700 -0.426 0.000 2.735 25 N HA -0.235 4.506 4.740 0.002 0.000 0.248 25 N C 0.049 175.291 175.510 -0.446 0.000 1.083 25 N CA 1.245 54.102 53.050 -0.322 0.000 0.703 25 N CB -1.055 37.337 38.487 -0.158 0.000 1.005 25 N HN 0.950 nan 8.380 nan 0.000 0.550 26 N N -1.319 116.845 118.700 -0.893 0.000 2.714 26 N HA -0.238 4.503 4.740 0.002 0.000 0.250 26 N C -0.888 174.217 175.510 -0.676 0.000 1.117 26 N CA 1.101 53.645 53.050 -0.843 0.000 0.719 26 N CB -0.407 37.952 38.487 -0.214 0.000 1.081 26 N HN 0.588 nan 8.380 nan 0.000 0.557 27 E N -0.688 119.040 120.200 -0.787 0.000 2.266 27 E HA 0.333 4.684 4.350 0.002 0.000 0.268 27 E C -1.069 175.180 176.600 -0.585 0.000 0.879 27 E CA -0.663 55.431 56.400 -0.509 0.000 0.762 27 E CB 1.149 30.657 29.700 -0.321 0.000 1.199 27 E HN 0.140 nan 8.360 nan 0.000 0.422 28 W N 3.023 124.182 121.300 -0.235 0.000 2.331 28 W HA 0.289 4.950 4.660 0.002 0.000 0.306 28 W C 0.261 176.619 176.519 -0.268 0.000 1.162 28 W CA -0.326 56.974 57.345 -0.075 0.000 1.232 28 W CB 0.708 30.189 29.460 0.036 0.000 1.235 28 W HN 0.335 nan 8.180 nan 0.000 0.479 29 H N 1.545 120.763 119.070 0.246 0.000 2.747 29 H HA 0.289 4.846 4.556 0.002 0.000 0.371 29 H C -0.764 174.658 175.328 0.156 0.000 1.161 29 H CA -1.088 55.048 56.048 0.147 0.000 1.167 29 H CB 2.027 31.828 29.762 0.065 0.000 1.732 29 H HN 0.218 nan 8.280 nan 0.000 0.544 30 D N 0.606 121.148 120.400 0.237 0.000 2.294 30 D HA 0.311 4.952 4.640 0.002 0.000 0.250 30 D C 0.300 176.688 176.300 0.146 0.000 1.058 30 D CA -0.481 53.618 54.000 0.166 0.000 0.950 30 D CB 1.574 42.444 40.800 0.117 0.000 1.158 30 D HN 0.624 nan 8.370 nan 0.000 0.453 31 A N 0.986 123.879 122.820 0.122 0.000 2.520 31 A HA 0.054 4.375 4.320 0.002 0.000 0.235 31 A C 1.603 179.237 177.584 0.083 0.000 1.065 31 A CA -0.358 51.739 52.037 0.100 0.000 0.764 31 A CB 0.259 19.319 19.000 0.100 0.000 1.002 31 A HN 0.440 nan 8.150 nan 0.000 0.502 32 V N 2.366 122.320 119.914 0.066 0.000 2.324 32 V HA -0.278 3.843 4.120 0.002 0.000 0.250 32 V C 2.755 178.882 176.094 0.055 0.000 1.060 32 V CA 2.875 65.207 62.300 0.054 0.000 1.042 32 V CB -0.897 30.950 31.823 0.040 0.000 0.650 32 V HN 1.153 nan 8.190 nan 0.000 0.450 33 S N -1.372 114.363 115.700 0.059 0.000 2.489 33 S HA -0.102 4.369 4.470 0.002 0.000 0.228 33 S C 1.299 175.937 174.600 0.064 0.000 0.995 33 S CA 0.300 58.536 58.200 0.058 0.000 0.934 33 S CB -0.096 63.142 63.200 0.063 0.000 0.771 33 S HN 0.485 nan 8.310 nan 0.000 0.522 34 R N 0.033 120.576 120.500 0.072 0.000 3.963 34 R HA -0.081 4.261 4.340 0.002 0.000 0.394 34 R C -0.740 175.608 176.300 0.080 0.000 1.131 34 R CA 0.937 57.081 56.100 0.073 0.000 1.059 34 R CB -2.333 28.003 30.300 0.060 0.000 1.614 34 R HN 0.599 nan 8.270 nan 0.000 0.546 35 K N 0.918 121.375 120.400 0.095 0.000 2.202 35 K HA 0.310 4.631 4.320 0.002 0.000 0.264 35 K C 0.843 177.531 176.600 0.146 0.000 1.010 35 K CA 0.541 56.899 56.287 0.117 0.000 0.940 35 K CB 0.876 33.455 32.500 0.131 0.000 0.983 35 K HN 0.273 nan 8.250 nan 0.000 0.475 36 T N -1.008 113.645 114.554 0.164 0.000 2.883 36 T HA 0.690 5.041 4.350 0.002 0.000 0.296 36 T C -0.861 174.012 174.700 0.288 0.000 1.117 36 T CA -1.016 61.190 62.100 0.177 0.000 1.006 36 T CB 0.767 69.668 68.868 0.056 0.000 1.191 36 T HN 0.484 nan 8.240 nan 0.000 0.508 37 F N -0.771 119.226 119.950 0.079 0.000 2.603 37 F HA 0.913 5.441 4.527 0.002 0.000 0.317 37 F C -3.105 172.748 175.800 0.088 0.000 1.066 37 F CA -2.893 55.194 58.000 0.146 0.000 0.941 37 F CB 1.534 40.718 39.000 0.307 0.000 1.291 37 F HN 0.431 nan 8.300 nan 0.000 0.472 38 P HA 0.216 nan 4.420 nan 0.000 0.288 38 P C -1.029 176.281 177.300 0.016 0.000 1.267 38 P CA -0.228 62.855 63.100 -0.028 0.000 0.815 38 P CB 1.957 33.691 31.700 0.056 0.000 0.989 39 T N 1.810 116.312 114.554 -0.086 0.000 2.797 39 T HA 0.424 4.775 4.350 0.002 0.000 0.279 39 T C -0.616 174.089 174.700 0.009 0.000 0.991 39 T CA -0.526 61.578 62.100 0.007 0.000 0.979 39 T CB 0.372 69.218 68.868 -0.038 0.000 0.943 39 T HN 0.064 nan 8.240 nan 0.000 0.444 40 V N 5.695 125.632 119.914 0.039 0.000 2.612 40 V HA 0.417 4.538 4.120 0.002 0.000 0.301 40 V C 0.618 176.722 176.094 0.016 0.000 1.046 40 V CA -1.063 61.256 62.300 0.032 0.000 0.946 40 V CB 1.688 33.557 31.823 0.076 0.000 1.003 40 V HN 0.941 nan 8.190 nan 0.000 0.459 41 N N 5.354 124.049 118.700 -0.007 0.000 2.420 41 N HA 0.183 4.924 4.740 0.002 0.000 0.262 41 N C -1.691 173.775 175.510 -0.074 0.000 1.144 41 N CA -1.367 51.663 53.050 -0.033 0.000 0.952 41 N CB 1.319 39.788 38.487 -0.031 0.000 1.081 41 N HN 0.421 nan 8.380 nan 0.000 0.480 42 P HA 0.010 nan 4.420 nan 0.000 0.241 42 P C 0.501 177.519 177.300 -0.470 0.000 1.191 42 P CA 0.590 63.599 63.100 -0.153 0.000 0.771 42 P CB 0.444 32.138 31.700 -0.010 0.000 0.929 43 S N -0.509 115.035 115.700 -0.259 0.000 2.425 43 S HA -0.028 4.443 4.470 0.002 0.000 0.225 43 S C 1.772 176.344 174.600 -0.047 0.000 1.024 43 S CA 1.795 59.937 58.200 -0.097 0.000 0.951 43 S CB -0.441 62.800 63.200 0.068 0.000 0.796 43 S HN 0.425 nan 8.310 nan 0.000 0.498 44 T N -3.468 111.002 114.554 -0.140 0.000 2.955 44 T HA 0.459 4.811 4.350 0.002 0.000 0.251 44 T C 1.527 176.089 174.700 -0.229 0.000 1.002 44 T CA 0.872 62.893 62.100 -0.131 0.000 0.970 44 T CB 0.408 69.236 68.868 -0.067 0.000 1.091 44 T HN 0.469 nan 8.240 nan 0.000 0.495 45 G N 1.661 110.282 108.800 -0.298 0.000 2.176 45 G HA2 -0.214 3.747 3.960 0.002 0.000 0.253 45 G HA3 -0.214 3.747 3.960 0.002 0.000 0.253 45 G C -0.095 174.758 174.900 -0.078 0.000 0.979 45 G CA 0.115 45.061 45.100 -0.257 0.000 0.641 45 G HN 0.614 nan 8.290 nan 0.000 0.530 46 E N 0.219 120.375 120.200 -0.073 0.000 2.373 46 E HA 0.407 4.758 4.350 0.002 0.000 0.263 46 E C 0.663 177.249 176.600 -0.023 0.000 1.073 46 E CA -0.486 55.890 56.400 -0.039 0.000 0.894 46 E CB 1.638 31.312 29.700 -0.042 0.000 1.008 46 E HN 0.162 nan 8.360 nan 0.000 0.420 47 V N 4.194 124.098 119.914 -0.016 0.000 2.479 47 V HA -0.023 4.098 4.120 0.002 0.000 0.281 47 V C 1.713 177.787 176.094 -0.034 0.000 1.031 47 V CA 0.289 62.579 62.300 -0.016 0.000 1.038 47 V CB 0.065 31.881 31.823 -0.011 0.000 0.981 47 V HN 0.599 nan 8.190 nan 0.000 0.478 48 I N 4.279 124.825 120.570 -0.040 0.000 2.162 48 I HA -0.040 4.131 4.170 0.002 0.000 0.238 48 I C 1.085 177.158 176.117 -0.074 0.000 1.076 48 I CA 1.536 62.803 61.300 -0.055 0.000 1.353 48 I CB 0.052 38.019 38.000 -0.055 0.000 1.063 48 I HN 0.867 nan 8.210 nan 0.000 0.408 49 C N -2.258 116.988 119.300 -0.090 0.000 3.284 49 C HA 0.574 5.035 4.460 0.002 0.000 0.348 49 C C -0.958 173.948 174.990 -0.141 0.000 1.448 49 C CA -1.104 57.849 59.018 -0.108 0.000 1.223 49 C CB 1.185 28.852 27.740 -0.122 0.000 1.588 49 C HN 0.179 nan 8.230 nan 0.000 0.451 50 Q N 0.434 120.150 119.800 -0.140 0.000 2.230 50 Q HA 0.808 5.149 4.340 0.002 0.000 0.253 50 Q C -0.733 175.122 176.000 -0.241 0.000 0.919 50 Q CA -0.320 55.380 55.803 -0.172 0.000 0.908 50 Q CB 1.693 30.375 28.738 -0.094 0.000 1.245 50 Q HN 0.751 nan 8.270 nan 0.000 0.437 51 V N 1.745 121.412 119.914 -0.412 0.000 2.656 51 V HA 0.715 4.836 4.120 0.002 0.000 0.307 51 V C -0.559 175.398 176.094 -0.227 0.000 1.051 51 V CA -1.333 60.712 62.300 -0.425 0.000 0.893 51 V CB 1.862 33.227 31.823 -0.764 0.000 0.999 51 V HN 0.926 nan 8.190 nan 0.000 0.426 52 A N 2.827 125.639 122.820 -0.014 0.000 2.567 52 A HA 0.188 4.509 4.320 0.002 0.000 0.240 52 A C 0.387 178.105 177.584 0.222 0.000 1.053 52 A CA 0.314 52.417 52.037 0.110 0.000 0.755 52 A CB -0.068 19.019 19.000 0.145 0.000 0.978 52 A HN 0.905 nan 8.150 nan 0.000 0.507 53 E N 2.972 123.307 120.200 0.225 0.000 2.042 53 E HA 0.375 4.726 4.350 0.002 0.000 0.260 53 E C 0.540 177.187 176.600 0.079 0.000 0.975 53 E CA -0.355 56.154 56.400 0.181 0.000 0.799 53 E CB 0.261 30.096 29.700 0.225 0.000 1.131 53 E HN 0.814 nan 8.360 nan 0.000 0.423 54 G N 3.586 112.413 108.800 0.045 0.000 2.398 54 G HA2 0.019 3.980 3.960 0.002 0.000 0.246 54 G HA3 0.019 3.980 3.960 0.002 0.000 0.246 54 G C -0.288 174.624 174.900 0.021 0.000 1.289 54 G CA -0.218 44.906 45.100 0.040 0.000 0.869 54 G HN 0.577 nan 8.290 nan 0.000 0.543 55 D N 0.229 120.653 120.400 0.040 0.000 2.758 55 D HA 0.232 4.873 4.640 0.002 0.000 0.262 55 D C 1.189 177.514 176.300 0.041 0.000 1.113 55 D CA -0.824 53.203 54.000 0.045 0.000 1.114 55 D CB 1.638 42.472 40.800 0.056 0.000 1.363 55 D HN 0.224 nan 8.370 nan 0.000 0.617 56 K N 0.435 120.859 120.400 0.042 0.000 2.020 56 K HA -0.189 4.132 4.320 0.002 0.000 0.212 56 K C 1.633 178.261 176.600 0.047 0.000 1.050 56 K CA 1.526 57.840 56.287 0.045 0.000 0.929 56 K CB -0.139 32.379 32.500 0.031 0.000 0.714 56 K HN 0.370 nan 8.250 nan 0.000 0.443 57 E N 0.265 120.486 120.200 0.036 0.000 2.147 57 E HA -0.209 4.142 4.350 0.002 0.000 0.199 57 E C 1.600 178.212 176.600 0.021 0.000 1.005 57 E CA 1.687 58.105 56.400 0.029 0.000 0.810 57 E CB 0.014 29.730 29.700 0.027 0.000 0.736 57 E HN 0.409 nan 8.360 nan 0.000 0.460 58 D N -0.294 120.118 120.400 0.020 0.000 2.194 58 D HA -0.075 4.566 4.640 0.002 0.000 0.204 58 D C 2.015 178.307 176.300 -0.014 0.000 0.964 58 D CA 0.595 54.593 54.000 -0.003 0.000 0.846 58 D CB 0.188 40.997 40.800 0.015 0.000 0.962 58 D HN 0.088 nan 8.370 nan 0.000 0.490 59 V N 1.909 121.833 119.914 0.016 0.000 2.453 59 V HA -0.177 3.944 4.120 0.002 0.000 0.247 59 V C 1.933 178.037 176.094 0.016 0.000 1.048 59 V CA 1.462 63.770 62.300 0.014 0.000 1.049 59 V CB -0.351 31.507 31.823 0.058 0.000 0.672 59 V HN -0.000 nan 8.190 nan 0.000 0.457 60 D N 0.221 120.675 120.400 0.090 0.000 2.123 60 D HA -0.168 4.473 4.640 0.002 0.000 0.196 60 D C 2.226 178.541 176.300 0.026 0.000 0.992 60 D CA 1.244 55.330 54.000 0.142 0.000 0.833 60 D CB -0.175 40.696 40.800 0.118 0.000 0.954 60 D HN 0.381 nan 8.370 nan 0.000 0.455 61 K N 0.329 120.715 120.400 -0.024 0.000 2.009 61 K HA -0.115 4.206 4.320 0.002 0.000 0.210 61 K C 2.102 178.634 176.600 -0.114 0.000 1.049 61 K CA 1.334 57.572 56.287 -0.082 0.000 0.929 61 K CB -0.124 32.295 32.500 -0.135 0.000 0.714 61 K HN 0.041 nan 8.250 nan 0.000 0.440 62 A N 0.697 123.445 122.820 -0.120 0.000 1.898 62 A HA -0.096 4.225 4.320 0.002 0.000 0.216 62 A C 2.293 179.800 177.584 -0.129 0.000 1.181 62 A CA 1.299 53.256 52.037 -0.133 0.000 0.620 62 A CB -0.503 18.432 19.000 -0.109 0.000 0.819 62 A HN 0.102 nan 8.150 nan 0.000 0.442 63 V N 0.525 120.343 119.914 -0.160 0.000 2.407 63 V HA -0.251 3.870 4.120 0.002 0.000 0.248 63 V C 2.359 178.379 176.094 -0.123 0.000 1.055 63 V CA 2.167 64.336 62.300 -0.219 0.000 1.049 63 V CB -0.689 30.822 31.823 -0.521 0.000 0.662 63 V HN 0.512 nan 8.190 nan 0.000 0.455 64 K N 0.494 120.849 120.400 -0.075 0.000 2.148 64 K HA -0.075 4.246 4.320 0.002 0.000 0.204 64 K C 2.303 178.883 176.600 -0.032 0.000 1.050 64 K CA 1.416 57.686 56.287 -0.028 0.000 0.942 64 K CB -0.351 32.143 32.500 -0.009 0.000 0.724 64 K HN 0.484 nan 8.250 nan 0.000 0.446 65 A N 1.675 124.457 122.820 -0.063 0.000 1.930 65 A HA -0.040 4.281 4.320 0.002 0.000 0.217 65 A C 2.397 179.954 177.584 -0.045 0.000 1.175 65 A CA 1.628 53.626 52.037 -0.065 0.000 0.627 65 A CB -0.487 18.446 19.000 -0.112 0.000 0.815 65 A HN 0.302 nan 8.150 nan 0.000 0.443 66 A N -0.026 122.761 122.820 -0.055 0.000 1.873 66 A HA -0.127 4.194 4.320 0.002 0.000 0.215 66 A C 2.169 179.781 177.584 0.047 0.000 1.186 66 A CA 2.073 54.092 52.037 -0.029 0.000 0.616 66 A CB -0.487 18.474 19.000 -0.065 0.000 0.823 66 A HN 0.433 nan 8.150 nan 0.000 0.442 67 R N 0.419 120.939 120.500 0.033 0.000 2.103 67 R HA -0.111 4.231 4.340 0.002 0.000 0.242 67 R C 2.013 178.397 176.300 0.140 0.000 1.142 67 R CA 2.142 58.299 56.100 0.095 0.000 0.960 67 R CB -0.949 29.384 30.300 0.054 0.000 0.858 67 R HN 0.413 nan 8.270 nan 0.000 0.439 68 A N -0.371 122.499 122.820 0.083 0.000 2.014 68 A HA 0.124 4.446 4.320 0.002 0.000 0.218 68 A C 2.219 179.861 177.584 0.096 0.000 1.163 68 A CA 1.343 53.425 52.037 0.076 0.000 0.652 68 A CB -0.646 18.376 19.000 0.038 0.000 0.808 68 A HN 0.463 nan 8.150 nan 0.000 0.449 69 A N -1.958 120.928 122.820 0.108 0.000 2.067 69 A HA 0.149 4.470 4.320 0.002 0.000 0.217 69 A C 1.607 179.348 177.584 0.263 0.000 1.156 69 A CA 0.964 53.080 52.037 0.132 0.000 0.683 69 A CB -0.463 18.564 19.000 0.046 0.000 0.808 69 A HN 0.557 nan 8.150 nan 0.000 0.455 70 F N 0.441 120.465 119.950 0.123 0.000 2.693 70 F HA 0.230 4.758 4.527 0.002 0.000 0.303 70 F C 0.577 176.446 175.800 0.115 0.000 1.097 70 F CA -0.305 57.792 58.000 0.162 0.000 1.330 70 F CB 0.158 39.237 39.000 0.132 0.000 1.067 70 F HN 0.069 nan 8.300 nan 0.000 0.565 71 Q N 1.719 121.571 119.800 0.087 0.000 2.300 71 Q HA 0.036 4.378 4.340 0.002 0.000 0.280 71 Q C -0.284 175.667 176.000 -0.081 0.000 1.033 71 Q CA -0.022 55.791 55.803 0.017 0.000 0.903 71 Q CB 0.866 29.631 28.738 0.045 0.000 1.195 71 Q HN 0.273 nan 8.270 nan 0.000 0.386 72 L N 1.874 123.040 121.223 -0.096 0.000 2.559 72 L HA 0.165 4.506 4.340 0.002 0.000 0.274 72 L C 1.237 178.074 176.870 -0.055 0.000 1.205 72 L CA 2.002 56.779 54.840 -0.106 0.000 0.907 72 L CB 0.149 42.166 42.059 -0.071 0.000 1.153 72 L HN 0.918 nan 8.230 nan 0.000 0.490 73 G N 1.917 110.682 108.800 -0.057 0.000 2.175 73 G HA2 -0.273 3.689 3.960 0.002 0.000 0.244 73 G HA3 -0.273 3.689 3.960 0.002 0.000 0.244 73 G C 0.329 175.222 174.900 -0.012 0.000 0.982 73 G CA 0.274 45.357 45.100 -0.029 0.000 0.641 73 G HN 1.070 nan 8.290 nan 0.000 0.527 74 S N 0.535 116.230 115.700 -0.008 0.000 2.593 74 S HA 0.577 5.048 4.470 0.002 0.000 0.269 74 S C -0.547 174.085 174.600 0.054 0.000 1.334 74 S CA -0.252 57.969 58.200 0.036 0.000 1.015 74 S CB 2.024 65.264 63.200 0.067 0.000 0.912 74 S HN -0.001 nan 8.310 nan 0.000 0.541 75 P HA -0.109 nan 4.420 nan 0.000 0.215 75 P C 1.285 178.689 177.300 0.172 0.000 1.153 75 P CA 1.205 64.368 63.100 0.106 0.000 0.853 75 P CB -0.141 31.634 31.700 0.124 0.000 0.788 76 W N 0.185 121.498 121.300 0.021 0.000 2.402 76 W HA -0.128 4.533 4.660 0.002 0.000 0.286 76 W C 1.620 178.146 176.519 0.013 0.000 1.221 76 W CA 0.688 58.059 57.345 0.044 0.000 1.257 76 W CB -0.067 29.446 29.460 0.088 0.000 1.120 76 W HN -0.140 nan 8.180 nan 0.000 0.551 77 R N 0.235 120.733 120.500 -0.004 0.000 2.119 77 R HA -0.016 4.325 4.340 0.002 0.000 0.222 77 R C 2.051 178.262 176.300 -0.148 0.000 1.088 77 R CA 0.852 56.851 56.100 -0.168 0.000 0.984 77 R CB -0.553 29.628 30.300 -0.197 0.000 0.884 77 R HN 0.275 nan 8.270 nan 0.000 0.447 78 R N -0.225 120.223 120.500 -0.086 0.000 2.254 78 R HA 0.168 4.509 4.340 0.002 0.000 0.195 78 R C 0.913 177.163 176.300 -0.084 0.000 0.957 78 R CA -0.237 55.820 56.100 -0.072 0.000 1.024 78 R CB 0.005 30.280 30.300 -0.040 0.000 0.952 78 R HN 0.062 nan 8.270 nan 0.000 0.484 79 M N 2.189 121.730 119.600 -0.099 0.000 2.240 79 M HA -0.082 4.399 4.480 0.002 0.000 0.346 79 M C -0.738 175.501 176.300 -0.102 0.000 1.236 79 M CA 0.633 55.876 55.300 -0.096 0.000 0.986 79 M CB 0.516 33.039 32.600 -0.129 0.000 1.786 79 M HN -0.106 nan 8.290 nan 0.000 0.457 80 D N 4.460 124.828 120.400 -0.053 0.000 2.458 80 D HA 0.090 4.732 4.640 0.002 0.000 0.243 80 D C 0.886 177.175 176.300 -0.018 0.000 1.146 80 D CA 0.732 54.717 54.000 -0.025 0.000 0.877 80 D CB 1.109 41.907 40.800 -0.002 0.000 1.176 80 D HN 0.804 nan 8.370 nan 0.000 0.461 81 A N 2.675 125.479 122.820 -0.028 0.000 1.948 81 A HA -0.232 4.089 4.320 0.002 0.000 0.220 81 A C 2.118 179.707 177.584 0.007 0.000 1.177 81 A CA 2.187 54.210 52.037 -0.024 0.000 0.636 81 A CB -0.516 18.493 19.000 0.015 0.000 0.815 81 A HN 0.599 nan 8.150 nan 0.000 0.449 82 S N -1.402 114.317 115.700 0.031 0.000 2.423 82 S HA -0.219 4.252 4.470 0.002 0.000 0.231 82 S C 1.819 176.450 174.600 0.052 0.000 1.014 82 S CA 1.532 59.757 58.200 0.041 0.000 0.965 82 S CB -0.629 62.599 63.200 0.046 0.000 0.785 82 S HN 0.734 nan 8.310 nan 0.000 0.495 83 H N 1.621 120.662 119.070 -0.049 0.000 2.403 83 H HA 0.271 4.828 4.556 0.001 0.000 0.298 83 H C 2.301 177.585 175.328 -0.074 0.000 1.059 83 H CA 1.257 57.270 56.048 -0.058 0.000 1.363 83 H CB -0.079 29.644 29.762 -0.065 0.000 1.410 83 H HN 0.310 nan 8.280 nan 0.000 0.528 84 R N -0.663 119.790 120.500 -0.079 0.000 2.117 84 R HA -0.109 4.232 4.340 0.002 0.000 0.243 84 R C 2.407 178.688 176.300 -0.032 0.000 1.143 84 R CA 1.184 57.219 56.100 -0.108 0.000 0.968 84 R CB -0.500 29.705 30.300 -0.158 0.000 0.863 84 R HN 0.424 nan 8.270 nan 0.000 0.444 85 G N 0.858 109.645 108.800 -0.021 0.000 2.403 85 G HA2 -0.200 3.761 3.960 0.002 0.000 0.216 85 G HA3 -0.200 3.761 3.960 0.002 0.000 0.216 85 G C 1.404 176.286 174.900 -0.030 0.000 1.154 85 G CA 0.034 45.142 45.100 0.014 0.000 0.784 85 G HN 0.127 nan 8.290 nan 0.000 0.538 86 R N 0.229 120.658 120.500 -0.118 0.000 2.081 86 R HA 0.070 4.411 4.340 0.002 0.000 0.235 86 R C 2.551 178.750 176.300 -0.170 0.000 1.131 86 R CA 0.558 56.565 56.100 -0.156 0.000 0.960 86 R CB -1.018 29.130 30.300 -0.253 0.000 0.856 86 R HN 0.381 nan 8.270 nan 0.000 0.436 87 L N 0.475 121.531 121.223 -0.279 0.000 2.056 87 L HA -0.106 4.236 4.340 0.002 0.000 0.207 87 L C 2.494 179.399 176.870 0.058 0.000 1.078 87 L CA 0.906 55.565 54.840 -0.302 0.000 0.749 87 L CB -0.423 41.144 42.059 -0.820 0.000 0.901 87 L HN 0.111 nan 8.230 nan 0.000 0.433 88 L N -0.291 121.043 121.223 0.185 0.000 2.131 88 L HA -0.222 4.119 4.340 0.002 0.000 0.210 88 L C 2.307 179.288 176.870 0.186 0.000 1.092 88 L CA 0.941 55.965 54.840 0.307 0.000 0.759 88 L CB -0.545 41.678 42.059 0.272 0.000 0.903 88 L HN 0.379 nan 8.230 nan 0.000 0.435 89 N N -0.059 118.705 118.700 0.107 0.000 2.216 89 N HA -0.172 4.569 4.740 0.002 0.000 0.183 89 N C 1.937 177.491 175.510 0.074 0.000 1.017 89 N CA 0.839 53.935 53.050 0.076 0.000 0.861 89 N CB -0.129 38.381 38.487 0.038 0.000 0.986 89 N HN 0.185 nan 8.380 nan 0.000 0.428 90 R N 1.403 121.942 120.500 0.066 0.000 2.073 90 R HA -0.049 4.292 4.340 0.002 0.000 0.234 90 R C 2.084 178.451 176.300 0.111 0.000 1.134 90 R CA 0.897 57.040 56.100 0.071 0.000 0.952 90 R CB -0.944 29.381 30.300 0.042 0.000 0.850 90 R HN 0.171 nan 8.270 nan 0.000 0.433 91 L N 0.323 121.654 121.223 0.179 0.000 2.012 91 L HA 0.001 4.342 4.340 0.002 0.000 0.210 91 L C 2.123 179.053 176.870 0.100 0.000 1.073 91 L CA 2.380 57.313 54.840 0.154 0.000 0.748 91 L CB -1.177 40.989 42.059 0.179 0.000 0.891 91 L HN 0.266 nan 8.230 nan 0.000 0.431 92 A N -0.742 122.142 122.820 0.106 0.000 1.902 92 A HA -0.228 4.094 4.320 0.002 0.000 0.217 92 A C 1.951 179.579 177.584 0.074 0.000 1.181 92 A CA 1.870 53.961 52.037 0.089 0.000 0.623 92 A CB -0.949 18.108 19.000 0.096 0.000 0.818 92 A HN 0.552 nan 8.150 nan 0.000 0.443 93 D N 0.147 120.590 120.400 0.071 0.000 2.104 93 D HA -0.135 4.507 4.640 0.002 0.000 0.194 93 D C 1.875 178.213 176.300 0.064 0.000 0.994 93 D CA 1.182 55.219 54.000 0.062 0.000 0.830 93 D CB -0.342 40.490 40.800 0.054 0.000 0.959 93 D HN 0.465 nan 8.370 nan 0.000 0.452 94 L N 0.154 121.416 121.223 0.064 0.000 2.093 94 L HA -0.065 4.276 4.340 0.002 0.000 0.208 94 L C 2.412 179.330 176.870 0.081 0.000 1.085 94 L CA 0.551 55.427 54.840 0.060 0.000 0.755 94 L CB -0.280 41.803 42.059 0.040 0.000 0.904 94 L HN 0.047 nan 8.230 nan 0.000 0.435 95 I N 0.011 120.630 120.570 0.082 0.000 2.226 95 I HA -0.297 3.874 4.170 0.002 0.000 0.245 95 I C 2.584 178.763 176.117 0.103 0.000 1.100 95 I CA 1.368 62.731 61.300 0.106 0.000 1.374 95 I CB -0.157 37.894 38.000 0.084 0.000 1.057 95 I HN 0.314 nan 8.210 nan 0.000 0.413 96 E N 1.123 121.369 120.200 0.077 0.000 2.106 96 E HA -0.262 4.090 4.350 0.002 0.000 0.192 96 E C 2.362 179.016 176.600 0.091 0.000 0.984 96 E CA 0.910 57.349 56.400 0.064 0.000 0.806 96 E CB -0.030 29.702 29.700 0.052 0.000 0.750 96 E HN 0.256 nan 8.360 nan 0.000 0.458 97 R N 0.288 120.846 120.500 0.097 0.000 2.120 97 R HA -0.122 4.219 4.340 0.002 0.000 0.234 97 R C 0.170 176.555 176.300 0.142 0.000 1.123 97 R CA 1.713 57.875 56.100 0.104 0.000 0.975 97 R CB 0.082 30.431 30.300 0.082 0.000 0.866 97 R HN 0.103 nan 8.270 nan 0.000 0.446 98 D N -0.123 120.385 120.400 0.181 0.000 2.525 98 D HA 0.052 4.693 4.640 0.002 0.000 0.229 98 D C 0.948 177.417 176.300 0.282 0.000 1.202 98 D CA -0.091 54.071 54.000 0.269 0.000 0.828 98 D CB 0.323 41.364 40.800 0.401 0.000 1.008 98 D HN 0.222 nan 8.370 nan 0.000 0.493 99 R N 0.234 120.859 120.500 0.207 0.000 2.081 99 R HA -0.097 4.244 4.340 0.002 0.000 0.235 99 R C 1.297 177.766 176.300 0.281 0.000 1.131 99 R CA 1.353 57.539 56.100 0.143 0.000 0.960 99 R CB 0.070 30.377 30.300 0.011 0.000 0.856 99 R HN -0.027 nan 8.270 nan 0.000 0.436 100 T N 0.055 114.863 114.554 0.424 0.000 2.812 100 T HA -0.161 4.190 4.350 0.002 0.000 0.264 100 T C 1.298 176.240 174.700 0.403 0.000 1.042 100 T CA 1.356 63.756 62.100 0.501 0.000 1.140 100 T CB -0.418 68.677 68.868 0.378 0.000 0.870 100 T HN 0.363 nan 8.240 nan 0.000 0.445 101 Y N 1.815 122.242 120.300 0.211 0.000 2.114 101 Y HA -0.051 4.500 4.550 0.002 0.000 0.284 101 Y C 1.993 177.967 175.900 0.124 0.000 1.143 101 Y CA 1.138 59.317 58.100 0.132 0.000 1.135 101 Y CB -0.642 37.839 38.460 0.034 0.000 0.980 101 Y HN 0.085 nan 8.280 nan 0.000 0.499 102 L N -0.063 121.189 121.223 0.048 0.000 2.131 102 L HA -0.216 4.125 4.340 0.002 0.000 0.210 102 L C 2.678 179.551 176.870 0.004 0.000 1.092 102 L CA 1.141 55.966 54.840 -0.025 0.000 0.759 102 L CB -0.792 41.362 42.059 0.159 0.000 0.903 102 L HN 0.394 nan 8.230 nan 0.000 0.435 103 A N -0.509 122.380 122.820 0.115 0.000 2.015 103 A HA -0.046 4.276 4.320 0.002 0.000 0.219 103 A C 2.407 180.140 177.584 0.249 0.000 1.163 103 A CA 1.542 53.670 52.037 0.152 0.000 0.646 103 A CB -0.411 18.736 19.000 0.245 0.000 0.806 103 A HN 0.406 nan 8.150 nan 0.000 0.448 104 A N -1.088 121.895 122.820 0.271 0.000 1.956 104 A HA 0.261 4.582 4.320 0.002 0.000 0.212 104 A C 1.934 179.597 177.584 0.131 0.000 1.188 104 A CA 1.125 53.376 52.037 0.358 0.000 0.675 104 A CB -0.405 18.772 19.000 0.296 0.000 0.845 104 A HN 0.458 nan 8.150 nan 0.000 0.455 105 L N 0.103 121.246 121.223 -0.133 0.000 2.156 105 L HA -0.020 4.321 4.340 0.002 0.000 0.208 105 L C 2.114 178.940 176.870 -0.073 0.000 1.095 105 L CA 2.303 57.037 54.840 -0.177 0.000 0.770 105 L CB -0.507 41.304 42.059 -0.413 0.000 0.914 105 L HN 0.513 nan 8.230 nan 0.000 0.439 106 E N -1.309 118.862 120.200 -0.049 0.000 2.106 106 E HA -0.172 4.179 4.350 0.002 0.000 0.192 106 E C 1.951 178.522 176.600 -0.048 0.000 0.984 106 E CA 1.771 58.156 56.400 -0.026 0.000 0.806 106 E CB -0.096 29.600 29.700 -0.006 0.000 0.750 106 E HN 0.449 nan 8.360 nan 0.000 0.458 107 T N 0.516 115.030 114.554 -0.068 0.000 2.737 107 T HA -0.111 4.240 4.350 0.002 0.000 0.265 107 T C 1.732 176.331 174.700 -0.169 0.000 1.038 107 T CA 1.089 63.075 62.100 -0.190 0.000 1.144 107 T CB -0.291 68.307 68.868 -0.449 0.000 0.866 107 T HN 0.098 nan 8.240 nan 0.000 0.434 108 L N 0.999 122.190 121.223 -0.053 0.000 2.046 108 L HA -0.071 4.271 4.340 0.002 0.000 0.208 108 L C 2.185 179.044 176.870 -0.018 0.000 1.077 108 L CA 1.686 56.540 54.840 0.024 0.000 0.747 108 L CB -0.288 41.829 42.059 0.097 0.000 0.896 108 L HN 0.090 nan 8.230 nan 0.000 0.432 109 D N -1.358 119.027 120.400 -0.025 0.000 2.137 109 D HA -0.163 4.478 4.640 0.002 0.000 0.202 109 D C 1.888 178.171 176.300 -0.028 0.000 0.970 109 D CA 0.965 54.955 54.000 -0.018 0.000 0.837 109 D CB 0.061 40.860 40.800 -0.002 0.000 0.981 109 D HN 0.384 nan 8.370 nan 0.000 0.475 110 N N -0.912 117.761 118.700 -0.044 0.000 2.482 110 N HA -0.019 4.722 4.740 0.002 0.000 0.179 110 N C 1.346 176.796 175.510 -0.100 0.000 1.039 110 N CA 1.572 54.591 53.050 -0.052 0.000 0.884 110 N CB 1.041 39.507 38.487 -0.036 0.000 1.113 110 N HN 0.251 nan 8.380 nan 0.000 0.440 111 G N 1.511 110.237 108.800 -0.123 0.000 2.238 111 G HA2 -0.257 3.705 3.960 0.002 0.000 0.217 111 G HA3 -0.257 3.705 3.960 0.002 0.000 0.217 111 G C -0.068 174.739 174.900 -0.155 0.000 0.996 111 G CA 0.337 45.345 45.100 -0.154 0.000 0.632 111 G HN 0.683 nan 8.290 nan 0.000 0.503 112 K N 1.367 121.675 120.400 -0.153 0.000 2.436 112 K HA 0.447 4.768 4.320 0.002 0.000 0.275 112 K C -2.548 173.977 176.600 -0.126 0.000 0.999 112 K CA -1.082 55.114 56.287 -0.152 0.000 0.980 112 K CB 0.493 32.883 32.500 -0.183 0.000 0.919 112 K HN 0.081 nan 8.250 nan 0.000 0.484 113 P HA -0.140 nan 4.420 nan 0.000 0.265 113 P C -0.303 176.993 177.300 -0.007 0.000 1.187 113 P CA 0.063 63.146 63.100 -0.029 0.000 0.766 113 P CB 0.146 31.865 31.700 0.032 0.000 0.820 114 Y N 4.272 124.489 120.300 -0.138 0.000 2.165 114 Y HA -0.235 4.317 4.550 0.002 0.000 0.286 114 Y C 1.909 177.852 175.900 0.071 0.000 1.155 114 Y CA 1.749 59.809 58.100 -0.068 0.000 1.164 114 Y CB -0.808 37.643 38.460 -0.014 0.000 0.978 114 Y HN 0.071 nan 8.280 nan 0.000 0.513 115 V N 0.253 120.199 119.914 0.053 0.000 2.407 115 V HA -0.310 3.811 4.120 0.002 0.000 0.248 115 V C 2.257 178.370 176.094 0.031 0.000 1.055 115 V CA 1.689 63.997 62.300 0.012 0.000 1.049 115 V CB -0.634 31.253 31.823 0.106 0.000 0.662 115 V HN 0.417 nan 8.190 nan 0.000 0.455 116 I N -0.404 120.206 120.570 0.067 0.000 2.286 116 I HA -0.113 4.058 4.170 0.002 0.000 0.245 116 I C 2.594 178.766 176.117 0.090 0.000 1.104 116 I CA 1.317 62.695 61.300 0.130 0.000 1.397 116 I CB -1.546 36.552 38.000 0.163 0.000 1.072 116 I HN 0.221 nan 8.210 nan 0.000 0.417 117 S N -0.001 115.708 115.700 0.015 0.000 2.370 117 S HA -0.230 4.242 4.470 0.002 0.000 0.226 117 S C 2.045 176.630 174.600 -0.024 0.000 1.033 117 S CA 1.404 59.602 58.200 -0.004 0.000 1.011 117 S CB -0.416 62.765 63.200 -0.031 0.000 0.852 117 S HN 0.451 nan 8.310 nan 0.000 0.457 118 Y N 1.474 121.638 120.300 -0.228 0.000 2.153 118 Y HA 0.097 4.648 4.550 0.002 0.000 0.289 118 Y C 1.917 177.770 175.900 -0.079 0.000 1.119 118 Y CA 1.327 59.300 58.100 -0.212 0.000 1.116 118 Y CB -0.197 38.019 38.460 -0.408 0.000 1.004 118 Y HN 0.110 nan 8.280 nan 0.000 0.501 119 L N -1.221 120.070 121.223 0.114 0.000 2.313 119 L HA -0.068 4.273 4.340 0.002 0.000 0.214 119 L C 1.525 178.423 176.870 0.046 0.000 1.119 119 L CA 0.313 55.208 54.840 0.091 0.000 0.809 119 L CB -0.171 41.970 42.059 0.137 0.000 0.933 119 L HN 0.189 nan 8.230 nan 0.000 0.449 120 V N -0.985 118.970 119.914 0.069 0.000 2.988 120 V HA -0.046 4.075 4.120 0.002 0.000 0.223 120 V C 1.645 177.776 176.094 0.061 0.000 1.144 120 V CA 0.760 63.119 62.300 0.098 0.000 1.242 120 V CB -0.274 31.683 31.823 0.224 0.000 1.073 120 V HN 0.143 nan 8.190 nan 0.000 0.508 121 D N 0.702 121.154 120.400 0.086 0.000 2.127 121 D HA -0.227 4.415 4.640 0.002 0.000 0.190 121 D C 1.922 178.219 176.300 -0.004 0.000 1.000 121 D CA 1.846 55.880 54.000 0.057 0.000 0.839 121 D CB -0.260 40.590 40.800 0.083 0.000 0.955 121 D HN 0.234 nan 8.370 nan 0.000 0.446 122 L N -0.148 121.048 121.223 -0.045 0.000 2.313 122 L HA -0.059 4.282 4.340 0.002 0.000 0.214 122 L C 1.744 178.572 176.870 -0.070 0.000 1.119 122 L CA 0.733 55.532 54.840 -0.068 0.000 0.809 122 L CB -0.090 41.888 42.059 -0.134 0.000 0.933 122 L HN -0.014 nan 8.230 nan 0.000 0.449 123 D N -0.049 120.304 120.400 -0.078 0.000 2.084 123 D HA -0.226 4.415 4.640 0.002 0.000 0.194 123 D C 2.268 178.575 176.300 0.011 0.000 0.990 123 D CA 1.626 55.600 54.000 -0.044 0.000 0.826 123 D CB 0.059 40.842 40.800 -0.030 0.000 0.971 123 D HN 0.161 nan 8.370 nan 0.000 0.453 124 M N -0.600 119.014 119.600 0.023 0.000 2.213 124 M HA -0.115 4.366 4.480 0.002 0.000 0.263 124 M C 2.204 178.560 176.300 0.094 0.000 1.062 124 M CA 0.573 55.910 55.300 0.061 0.000 1.105 124 M CB 0.016 32.638 32.600 0.037 0.000 1.385 124 M HN -0.023 nan 8.290 nan 0.000 0.417 125 V N 0.917 120.862 119.914 0.052 0.000 2.287 125 V HA -0.271 3.850 4.120 0.002 0.000 0.248 125 V C 2.271 178.426 176.094 0.102 0.000 1.053 125 V CA 1.766 64.109 62.300 0.072 0.000 1.027 125 V CB -0.614 31.229 31.823 0.033 0.000 0.646 125 V HN 0.459 nan 8.190 nan 0.000 0.447 126 L N -0.671 120.594 121.223 0.070 0.000 2.027 126 L HA -0.182 4.159 4.340 0.002 0.000 0.206 126 L C 2.565 179.500 176.870 0.108 0.000 1.074 126 L CA 1.732 56.618 54.840 0.076 0.000 0.745 126 L CB -0.614 41.469 42.059 0.040 0.000 0.898 126 L HN 0.259 nan 8.230 nan 0.000 0.433 127 K N -0.729 119.734 120.400 0.106 0.000 2.097 127 K HA -0.180 4.142 4.320 0.002 0.000 0.205 127 K C 2.306 179.021 176.600 0.192 0.000 1.050 127 K CA 1.449 57.810 56.287 0.124 0.000 0.938 127 K CB -0.478 32.077 32.500 0.092 0.000 0.718 127 K HN 0.403 nan 8.250 nan 0.000 0.442 128 C N 1.252 120.689 119.300 0.229 0.000 2.429 128 C HA -0.068 4.393 4.460 0.002 0.000 0.277 128 C C 2.371 177.615 174.990 0.423 0.000 1.262 128 C CA 0.634 59.859 59.018 0.346 0.000 1.733 128 C CB -0.907 27.084 27.740 0.418 0.000 2.010 128 C HN 0.403 nan 8.230 nan 0.000 0.483 129 L N 0.142 121.544 121.223 0.299 0.000 2.093 129 L HA -0.068 4.273 4.340 0.002 0.000 0.208 129 L C 3.072 180.088 176.870 0.244 0.000 1.085 129 L CA 1.616 56.614 54.840 0.264 0.000 0.755 129 L CB -0.618 41.549 42.059 0.180 0.000 0.904 129 L HN 0.330 nan 8.230 nan 0.000 0.435 130 R N -1.515 119.104 120.500 0.198 0.000 2.115 130 R HA -0.162 4.180 4.340 0.002 0.000 0.226 130 R C 2.218 178.596 176.300 0.130 0.000 1.100 130 R CA 1.099 57.283 56.100 0.141 0.000 0.980 130 R CB -0.294 30.069 30.300 0.105 0.000 0.875 130 R HN 0.261 nan 8.270 nan 0.000 0.445 131 Y N 0.038 120.366 120.300 0.046 0.000 2.114 131 Y HA -0.263 4.288 4.550 0.002 0.000 0.284 131 Y C 1.546 177.402 175.900 -0.073 0.000 1.143 131 Y CA 1.557 59.616 58.100 -0.069 0.000 1.135 131 Y CB -0.379 38.014 38.460 -0.113 0.000 0.980 131 Y HN -0.007 nan 8.280 nan 0.000 0.499 132 Y N -0.242 120.153 120.300 0.158 0.000 2.439 132 Y HA -0.051 4.500 4.550 0.002 0.000 0.292 132 Y C 2.518 178.463 175.900 0.075 0.000 1.130 132 Y CA 0.625 58.808 58.100 0.139 0.000 1.254 132 Y CB -0.463 38.133 38.460 0.227 0.000 1.000 132 Y HN 0.286 nan 8.280 nan 0.000 0.554 133 A N -0.066 122.861 122.820 0.179 0.000 1.972 133 A HA -0.135 4.186 4.320 0.002 0.000 0.219 133 A C 2.481 180.079 177.584 0.023 0.000 1.169 133 A CA 1.751 53.855 52.037 0.111 0.000 0.635 133 A CB -1.245 17.809 19.000 0.091 0.000 0.810 133 A HN 0.457 nan 8.150 nan 0.000 0.446 134 G N -2.559 106.182 108.800 -0.099 0.000 2.511 134 G HA2 -0.140 3.821 3.960 0.002 0.000 0.217 134 G HA3 -0.140 3.821 3.960 0.002 0.000 0.217 134 G C 1.313 176.081 174.900 -0.220 0.000 1.133 134 G CA 0.452 45.428 45.100 -0.207 0.000 0.792 134 G HN 0.670 nan 8.290 nan 0.000 0.539 135 W N 0.779 121.945 121.300 -0.222 0.000 2.584 135 W HA 0.238 4.900 4.660 0.003 0.000 0.264 135 W C 2.740 179.225 176.519 -0.058 0.000 1.264 135 W CA 0.222 57.458 57.345 -0.182 0.000 1.306 135 W CB 0.350 29.677 29.460 -0.220 0.000 1.110 135 W HN 0.259 nan 8.180 nan 0.000 0.606 136 A N 1.233 124.180 122.820 0.212 0.000 1.915 136 A HA -0.298 4.023 4.320 0.002 0.000 0.220 136 A C 1.245 178.909 177.584 0.134 0.000 1.198 136 A CA 2.443 54.571 52.037 0.151 0.000 0.647 136 A CB -0.897 18.159 19.000 0.095 0.000 0.825 136 A HN 0.359 nan 8.150 nan 0.000 0.456 137 D N -2.373 118.096 120.400 0.115 0.000 2.643 137 D HA 0.254 4.895 4.640 0.002 0.000 0.244 137 D C 0.440 176.817 176.300 0.129 0.000 1.257 137 D CA -0.069 53.997 54.000 0.110 0.000 0.831 137 D CB 0.149 40.995 40.800 0.076 0.000 1.043 137 D HN 0.489 nan 8.370 nan 0.000 0.488 138 K N -0.699 119.787 120.400 0.144 0.000 2.517 138 K HA 0.048 4.369 4.320 0.002 0.000 0.210 138 K C -0.536 175.952 176.600 -0.188 0.000 1.166 138 K CA -0.509 55.795 56.287 0.028 0.000 1.030 138 K CB 0.883 33.457 32.500 0.123 0.000 0.974 138 K HN -0.009 nan 8.250 nan 0.000 0.585 139 Y N 2.984 123.202 120.300 -0.137 0.000 2.627 139 Y HA 0.144 4.695 4.550 0.002 0.000 0.347 139 Y C -0.425 175.407 175.900 -0.114 0.000 1.099 139 Y CA -0.913 57.090 58.100 -0.161 0.000 1.408 139 Y CB -0.591 37.838 38.460 -0.052 0.000 1.247 139 Y HN 0.066 nan 8.280 nan 0.000 0.506 140 H N 1.869 120.874 119.070 -0.108 0.000 2.482 140 H HA 0.546 5.103 4.556 0.002 0.000 0.344 140 H C 0.735 175.767 175.328 -0.493 0.000 1.151 140 H CA -0.399 55.532 56.048 -0.195 0.000 1.300 140 H CB 1.109 30.816 29.762 -0.091 0.000 1.494 140 H HN 0.751 nan 8.280 nan 0.000 0.542 141 G N 0.562 109.137 108.800 -0.374 0.000 2.525 141 G HA2 0.453 4.414 3.960 0.002 0.000 0.287 141 G HA3 0.453 4.414 3.960 0.002 0.000 0.287 141 G C -0.861 173.884 174.900 -0.258 0.000 1.350 141 G CA -0.931 43.792 45.100 -0.629 0.000 1.039 141 G HN 0.609 nan 8.290 nan 0.000 0.513 142 K N -0.741 119.560 120.400 -0.165 0.000 2.395 142 K HA 0.580 4.902 4.320 0.002 0.000 0.247 142 K C -0.818 175.799 176.600 0.027 0.000 0.973 142 K CA -0.789 55.471 56.287 -0.047 0.000 0.828 142 K CB 1.982 34.465 32.500 -0.028 0.000 1.272 142 K HN 0.572 nan 8.250 nan 0.000 0.439 143 T N -0.963 113.630 114.554 0.066 0.000 2.795 143 T HA 0.595 4.946 4.350 0.002 0.000 0.282 143 T C 0.006 174.769 174.700 0.106 0.000 0.980 143 T CA -0.771 61.413 62.100 0.139 0.000 1.012 143 T CB 0.170 69.183 68.868 0.242 0.000 0.936 143 T HN 0.441 nan 8.240 nan 0.000 0.457 144 I N 4.624 125.255 120.570 0.101 0.000 2.406 144 I HA 0.336 4.507 4.170 0.002 0.000 0.290 144 I C -1.932 174.246 176.117 0.101 0.000 0.999 144 I CA -2.837 58.505 61.300 0.070 0.000 1.124 144 I CB 2.506 40.519 38.000 0.022 0.000 1.289 144 I HN 0.491 nan 8.210 nan 0.000 0.441 145 P HA 0.153 nan 4.420 nan 0.000 0.225 145 P C 0.167 177.516 177.300 0.081 0.000 1.768 145 P CA 0.117 63.270 63.100 0.089 0.000 0.943 145 P CB 0.019 31.757 31.700 0.064 0.000 1.936 146 I N 0.700 121.325 120.570 0.091 0.000 3.112 146 I HA 0.004 4.175 4.170 0.002 0.000 0.284 146 I C 0.390 176.574 176.117 0.113 0.000 1.227 146 I CA 0.039 61.384 61.300 0.074 0.000 1.369 146 I CB 0.649 38.675 38.000 0.044 0.000 1.376 146 I HN 0.003 nan 8.210 nan 0.000 0.608 147 D N 3.692 124.149 120.400 0.095 0.000 2.390 147 D HA 0.389 5.030 4.640 0.002 0.000 0.236 147 D C 0.358 176.811 176.300 0.254 0.000 1.189 147 D CA 1.337 55.412 54.000 0.125 0.000 0.887 147 D CB 0.461 41.312 40.800 0.085 0.000 1.198 147 D HN 0.909 nan 8.370 nan 0.000 0.444 148 G N 1.374 110.308 108.800 0.224 0.000 2.828 148 G HA2 -0.204 3.757 3.960 0.002 0.000 0.463 148 G HA3 -0.204 3.757 3.960 0.002 0.000 0.463 148 G C -0.666 174.292 174.900 0.097 0.000 1.394 148 G CA -0.665 44.584 45.100 0.248 0.000 0.862 148 G HN 0.537 nan 8.290 nan 0.000 0.540 149 D N 0.923 121.149 120.400 -0.290 0.000 2.608 149 D HA 0.454 5.095 4.640 0.002 0.000 0.224 149 D C -0.113 175.763 176.300 -0.706 0.000 1.123 149 D CA 1.027 54.787 54.000 -0.399 0.000 1.030 149 D CB -0.498 40.079 40.800 -0.371 0.000 1.093 149 D HN 0.269 nan 8.370 nan 0.000 0.497 150 F N 0.438 120.434 119.950 0.076 0.000 2.601 150 F HA 0.333 4.861 4.527 0.002 0.000 0.309 150 F C -0.345 175.573 175.800 0.196 0.000 1.089 150 F CA -1.392 56.672 58.000 0.108 0.000 0.940 150 F CB 1.616 40.655 39.000 0.066 0.000 1.273 150 F HN -0.127 nan 8.300 nan 0.000 0.450 151 F N 2.468 122.560 119.950 0.238 0.000 2.361 151 F HA 0.621 5.149 4.527 0.002 0.000 0.364 151 F C -0.385 175.544 175.800 0.215 0.000 1.117 151 F CA -1.005 57.107 58.000 0.186 0.000 1.071 151 F CB 0.910 39.998 39.000 0.147 0.000 1.188 151 F HN 0.267 nan 8.300 nan 0.000 0.464 152 S N 7.074 122.781 115.700 0.012 0.000 2.473 152 S HA 0.757 5.228 4.470 0.002 0.000 0.307 152 S C -1.285 173.195 174.600 -0.200 0.000 1.094 152 S CA -0.303 57.787 58.200 -0.183 0.000 1.070 152 S CB 0.505 63.659 63.200 -0.077 0.000 1.019 152 S HN 0.662 nan 8.310 nan 0.000 0.480 153 Y N 0.408 120.452 120.300 -0.425 0.000 2.615 153 Y HA 0.795 5.346 4.550 0.002 0.000 0.341 153 Y C -0.399 175.383 175.900 -0.197 0.000 1.089 153 Y CA -1.089 56.833 58.100 -0.296 0.000 1.049 153 Y CB 0.877 39.115 38.460 -0.369 0.000 1.296 153 Y HN 0.534 nan 8.280 nan 0.000 0.470 154 T N -0.356 114.154 114.554 -0.073 0.000 2.918 154 T HA 0.690 5.041 4.350 0.002 0.000 0.286 154 T C -0.790 173.897 174.700 -0.022 0.000 1.026 154 T CA -1.109 60.921 62.100 -0.117 0.000 1.031 154 T CB 1.738 70.570 68.868 -0.061 0.000 1.046 154 T HN 0.797 nan 8.240 nan 0.000 0.479 155 R N 0.842 121.336 120.500 -0.010 0.000 2.393 155 R HA 0.318 4.659 4.340 0.002 0.000 0.310 155 R C -0.398 175.996 176.300 0.156 0.000 0.968 155 R CA -0.660 55.475 56.100 0.059 0.000 0.867 155 R CB 1.018 31.363 30.300 0.076 0.000 1.124 155 R HN 0.758 nan 8.270 nan 0.000 0.450 156 H N 2.456 121.537 119.070 0.019 0.000 2.726 156 H HA 0.097 4.654 4.556 0.002 0.000 0.244 156 H C -0.252 175.138 175.328 0.104 0.000 1.669 156 H CA -0.444 55.626 56.048 0.036 0.000 1.293 156 H CB 0.571 30.304 29.762 -0.048 0.000 1.640 156 H HN 0.400 nan 8.280 nan 0.000 0.553 157 E N 2.822 123.147 120.200 0.208 0.000 2.371 157 E HA 0.123 4.474 4.350 0.002 0.000 0.257 157 E C -2.384 174.346 176.600 0.216 0.000 1.134 157 E CA -2.099 54.413 56.400 0.187 0.000 0.919 157 E CB 0.385 30.181 29.700 0.160 0.000 1.025 157 E HN 0.340 nan 8.360 nan 0.000 0.438 158 P HA -0.090 nan 4.420 nan 0.000 0.269 158 P C 0.563 178.000 177.300 0.228 0.000 1.209 158 P CA 0.051 63.330 63.100 0.299 0.000 0.776 158 P CB 0.664 32.660 31.700 0.494 0.000 0.876 159 V N 1.943 121.929 119.914 0.120 0.000 2.667 159 V HA 0.141 4.263 4.120 0.002 0.000 0.252 159 V C 0.980 176.986 176.094 -0.147 0.000 1.065 159 V CA 2.534 64.846 62.300 0.021 0.000 1.083 159 V CB -1.075 30.756 31.823 0.014 0.000 0.692 159 V HN 0.917 nan 8.190 nan 0.000 0.468 160 G N -0.636 107.945 108.800 -0.365 0.000 2.390 160 G HA2 -0.115 3.846 3.960 0.002 0.000 0.202 160 G HA3 -0.115 3.846 3.960 0.002 0.000 0.202 160 G C -0.493 174.068 174.900 -0.565 0.000 1.210 160 G CA -0.224 44.293 45.100 -0.972 0.000 1.271 160 G HN 0.677 nan 8.290 nan 0.000 0.543 161 V N 1.164 120.850 119.914 -0.379 0.000 2.405 161 V HA 0.414 4.535 4.120 0.002 0.000 0.264 161 V C 0.345 176.381 176.094 -0.096 0.000 1.048 161 V CA -0.149 62.037 62.300 -0.190 0.000 0.966 161 V CB 0.320 32.053 31.823 -0.150 0.000 1.015 161 V HN 0.818 nan 8.190 nan 0.000 0.477 162 C N 4.947 124.226 119.300 -0.036 0.000 2.264 162 C HA 0.651 5.112 4.460 0.002 0.000 0.324 162 C C 1.106 176.117 174.990 0.035 0.000 1.267 162 C CA -1.019 58.027 59.018 0.046 0.000 1.618 162 C CB 0.231 28.078 27.740 0.179 0.000 2.278 162 C HN 1.002 nan 8.230 nan 0.000 0.499 163 G N 3.051 111.870 108.800 0.033 0.000 2.364 163 G HA2 0.459 4.421 3.960 0.002 0.000 0.267 163 G HA3 0.459 4.421 3.960 0.002 0.000 0.267 163 G C -0.639 174.308 174.900 0.078 0.000 1.233 163 G CA -0.044 45.078 45.100 0.036 0.000 0.885 163 G HN 0.815 nan 8.290 nan 0.000 0.490 164 Q N 1.643 121.487 119.800 0.074 0.000 2.320 164 Q HA 0.386 4.727 4.340 0.002 0.000 0.268 164 Q C -0.741 175.320 176.000 0.102 0.000 1.023 164 Q CA -0.384 55.477 55.803 0.097 0.000 0.744 164 Q CB 2.420 31.204 28.738 0.077 0.000 1.246 164 Q HN 0.551 nan 8.270 nan 0.000 0.462 165 I N 4.932 125.590 120.570 0.146 0.000 2.330 165 I HA 0.443 4.615 4.170 0.002 0.000 0.289 165 I C -0.101 176.076 176.117 0.100 0.000 1.001 165 I CA -0.695 60.715 61.300 0.182 0.000 1.193 165 I CB 0.773 38.986 38.000 0.356 0.000 1.345 165 I HN 0.505 nan 8.210 nan 0.000 0.461 166 I N 5.230 125.839 120.570 0.065 0.000 2.740 166 I HA 0.756 4.927 4.170 0.002 0.000 0.303 166 I C -2.642 173.461 176.117 -0.023 0.000 1.044 166 I CA -2.302 58.996 61.300 -0.003 0.000 1.064 166 I CB 2.127 40.143 38.000 0.028 0.000 1.249 166 I HN 0.210 nan 8.210 nan 0.000 0.433 167 P HA 0.145 nan 4.420 nan 0.000 0.293 167 P C -0.109 177.115 177.300 -0.126 0.000 1.304 167 P CA -0.178 62.773 63.100 -0.249 0.000 0.767 167 P CB 0.468 31.908 31.700 -0.434 0.000 1.247 168 W N 0.194 121.504 121.300 0.017 0.000 3.177 168 W HA 0.070 4.731 4.660 0.002 0.000 0.309 168 W C 0.822 177.295 176.519 -0.077 0.000 1.224 168 W CA 0.126 57.467 57.345 -0.008 0.000 1.718 168 W CB -1.425 28.037 29.460 0.004 0.000 1.078 168 W HN 0.219 nan 8.180 nan 0.000 0.618 169 N N 1.847 120.397 118.700 -0.249 0.000 2.331 169 N HA -0.143 4.598 4.740 0.002 0.000 0.180 169 N C -0.125 174.975 175.510 -0.682 0.000 1.019 169 N CA 0.650 53.495 53.050 -0.341 0.000 0.881 169 N CB -1.078 37.075 38.487 -0.556 0.000 0.972 169 N HN 0.100 nan 8.380 nan 0.000 0.435 170 F N -0.289 119.582 119.950 -0.132 0.000 2.710 170 F HA 0.430 4.959 4.527 0.002 0.000 0.345 170 F C -1.798 173.922 175.800 -0.134 0.000 1.362 170 F CA -2.038 55.859 58.000 -0.171 0.000 1.175 170 F CB 2.120 40.929 39.000 -0.318 0.000 1.561 170 F HN -0.190 nan 8.300 nan 0.000 0.593 171 P HA -0.217 nan 4.420 nan 0.000 0.214 171 P C 1.879 179.205 177.300 0.043 0.000 1.169 171 P CA 1.733 64.868 63.100 0.060 0.000 0.908 171 P CB 0.412 32.153 31.700 0.068 0.000 0.791 172 L N -2.104 119.141 121.223 0.038 0.000 2.072 172 L HA -0.107 4.234 4.340 0.002 0.000 0.205 172 L C 2.389 179.248 176.870 -0.017 0.000 1.079 172 L CA 0.767 55.622 54.840 0.026 0.000 0.752 172 L CB -0.833 41.248 42.059 0.037 0.000 0.906 172 L HN -0.027 nan 8.230 nan 0.000 0.436 173 L N -0.820 120.355 121.223 -0.080 0.000 2.141 173 L HA -0.168 4.173 4.340 0.002 0.000 0.209 173 L C 2.413 179.059 176.870 -0.374 0.000 1.094 173 L CA 1.674 56.346 54.840 -0.279 0.000 0.763 173 L CB -0.381 41.374 42.059 -0.507 0.000 0.908 173 L HN 0.173 nan 8.230 nan 0.000 0.437 174 M N -0.886 118.580 119.600 -0.222 0.000 2.132 174 M HA -0.216 4.265 4.480 0.002 0.000 0.263 174 M C 2.236 178.576 176.300 0.066 0.000 1.065 174 M CA 1.741 56.998 55.300 -0.071 0.000 1.122 174 M CB -0.982 31.603 32.600 -0.025 0.000 1.365 174 M HN 0.533 nan 8.290 nan 0.000 0.411 175 Q N -0.131 119.689 119.800 0.033 0.000 2.083 175 Q HA -0.098 4.244 4.340 0.002 0.000 0.198 175 Q C 1.933 177.963 176.000 0.051 0.000 0.969 175 Q CA 1.686 57.512 55.803 0.039 0.000 0.838 175 Q CB -0.025 28.723 28.738 0.018 0.000 0.900 175 Q HN 0.433 nan 8.270 nan 0.000 0.436 176 A N 0.169 123.032 122.820 0.071 0.000 1.933 176 A HA -0.169 4.152 4.320 0.002 0.000 0.218 176 A C 1.560 179.287 177.584 0.239 0.000 1.175 176 A CA 1.113 53.223 52.037 0.122 0.000 0.628 176 A CB -1.113 17.967 19.000 0.133 0.000 0.814 176 A HN 0.642 nan 8.150 nan 0.000 0.444 177 W N 0.421 121.723 121.300 0.003 0.000 2.350 177 W HA -0.061 4.600 4.660 0.002 0.000 0.289 177 W C 2.019 178.511 176.519 -0.045 0.000 1.215 177 W CA 1.470 58.821 57.345 0.011 0.000 1.236 177 W CB -0.071 29.406 29.460 0.028 0.000 1.130 177 W HN 0.215 nan 8.180 nan 0.000 0.541 178 K N -0.626 119.868 120.400 0.156 0.000 2.168 178 K HA 0.122 4.443 4.320 0.002 0.000 0.201 178 K C 2.102 178.605 176.600 -0.161 0.000 1.049 178 K CA 0.582 56.883 56.287 0.023 0.000 0.974 178 K CB -0.971 31.568 32.500 0.065 0.000 0.792 178 K HN 0.190 nan 8.250 nan 0.000 0.463 179 L N 0.481 121.636 121.223 -0.112 0.000 2.056 179 L HA -0.096 4.245 4.340 0.002 0.000 0.207 179 L C 2.420 179.179 176.870 -0.186 0.000 1.078 179 L CA 1.414 56.158 54.840 -0.160 0.000 0.749 179 L CB -1.074 40.912 42.059 -0.122 0.000 0.901 179 L HN 0.258 nan 8.230 nan 0.000 0.433 180 G N 1.307 110.010 108.800 -0.161 0.000 2.672 180 G HA2 -0.262 3.699 3.960 0.002 0.000 0.218 180 G HA3 -0.262 3.699 3.960 0.002 0.000 0.218 180 G C -0.545 174.115 174.900 -0.400 0.000 1.238 180 G CA 1.219 46.213 45.100 -0.176 0.000 0.791 180 G HN 0.313 nan 8.290 nan 0.000 0.606 181 P HA -0.015 nan 4.420 nan 0.000 0.217 181 P C 2.024 179.064 177.300 -0.433 0.000 1.150 181 P CA 2.086 64.756 63.100 -0.716 0.000 0.832 181 P CB -0.184 31.111 31.700 -0.675 0.000 0.787 182 A N 0.488 122.905 122.820 -0.672 0.000 1.873 182 A HA -0.110 4.212 4.320 0.002 0.000 0.215 182 A C 2.437 179.942 177.584 -0.130 0.000 1.186 182 A CA 1.389 53.014 52.037 -0.687 0.000 0.616 182 A CB -1.599 16.877 19.000 -0.874 0.000 0.823 182 A HN 0.114 nan 8.150 nan 0.000 0.442 183 L N -0.851 120.371 121.223 -0.001 0.000 2.201 183 L HA -0.120 4.221 4.340 0.002 0.000 0.212 183 L C 2.939 180.001 176.870 0.319 0.000 1.105 183 L CA 0.823 55.869 54.840 0.344 0.000 0.775 183 L CB -0.502 41.776 42.059 0.365 0.000 0.913 183 L HN 0.442 nan 8.230 nan 0.000 0.440 184 A N 0.106 123.015 122.820 0.148 0.000 2.014 184 A HA -0.127 4.195 4.320 0.002 0.000 0.218 184 A C 2.208 179.847 177.584 0.092 0.000 1.163 184 A CA 1.778 53.901 52.037 0.143 0.000 0.652 184 A CB -0.640 18.474 19.000 0.190 0.000 0.808 184 A HN 0.477 nan 8.150 nan 0.000 0.449 185 T N -4.294 110.301 114.554 0.068 0.000 3.107 185 T HA 0.420 4.771 4.350 0.002 0.000 0.249 185 T C 1.243 176.012 174.700 0.116 0.000 1.096 185 T CA 0.919 63.072 62.100 0.088 0.000 1.012 185 T CB 0.178 69.098 68.868 0.087 0.000 0.977 185 T HN 1.572 nan 8.240 nan 0.000 0.527 186 G N 1.561 110.424 108.800 0.104 0.000 2.141 186 G HA2 -0.233 3.729 3.960 0.002 0.000 0.242 186 G HA3 -0.233 3.729 3.960 0.002 0.000 0.242 186 G C -0.029 175.132 174.900 0.435 0.000 0.982 186 G CA -0.354 44.761 45.100 0.025 0.000 0.662 186 G HN 0.564 nan 8.290 nan 0.000 0.527 187 N N -0.373 118.604 118.700 0.463 0.000 2.381 187 N HA 0.524 5.265 4.740 0.002 0.000 0.254 187 N C 0.549 176.375 175.510 0.526 0.000 1.264 187 N CA 0.641 53.947 53.050 0.426 0.000 0.942 187 N CB 1.728 40.322 38.487 0.178 0.000 1.190 187 N HN 0.738 nan 8.380 nan 0.000 0.495 188 V N -1.972 118.091 119.914 0.249 0.000 2.715 188 V HA 0.722 4.843 4.120 0.002 0.000 0.310 188 V C -0.132 175.948 176.094 -0.023 0.000 1.054 188 V CA -0.724 61.613 62.300 0.063 0.000 0.928 188 V CB 1.685 33.550 31.823 0.069 0.000 1.007 188 V HN 0.242 nan 8.190 nan 0.000 0.437 189 V N 3.156 123.026 119.914 -0.074 0.000 2.735 189 V HA 0.567 4.688 4.120 0.002 0.000 0.310 189 V C -0.498 175.559 176.094 -0.061 0.000 1.061 189 V CA -0.534 61.729 62.300 -0.062 0.000 0.913 189 V CB 2.252 34.027 31.823 -0.080 0.000 1.005 189 V HN 0.805 nan 8.190 nan 0.000 0.428 190 V N 5.426 125.313 119.914 -0.044 0.000 2.304 190 V HA 0.444 4.566 4.120 0.002 0.000 0.278 190 V C -0.133 175.958 176.094 -0.005 0.000 1.018 190 V CA -0.224 62.053 62.300 -0.037 0.000 0.814 190 V CB 1.276 33.059 31.823 -0.066 0.000 1.021 190 V HN 0.886 nan 8.190 nan 0.000 0.440 191 M N 5.080 124.684 119.600 0.008 0.000 2.238 191 M HA 0.557 5.038 4.480 0.002 0.000 0.350 191 M C -0.511 175.816 176.300 0.046 0.000 1.138 191 M CA -0.537 54.780 55.300 0.028 0.000 1.040 191 M CB 1.152 33.762 32.600 0.016 0.000 1.639 191 M HN 0.339 nan 8.290 nan 0.000 0.451 192 K N 5.570 126.007 120.400 0.062 0.000 2.281 192 K HA 0.364 4.685 4.320 0.002 0.000 0.272 192 K C -1.057 175.595 176.600 0.086 0.000 1.048 192 K CA -0.298 56.032 56.287 0.072 0.000 0.898 192 K CB 0.557 33.104 32.500 0.078 0.000 1.128 192 K HN 0.687 nan 8.250 nan 0.000 0.460 193 V N 0.924 120.890 119.914 0.088 0.000 2.997 193 V HA 0.649 4.770 4.120 0.002 0.000 0.311 193 V C 0.434 176.602 176.094 0.123 0.000 1.066 193 V CA -1.182 61.180 62.300 0.104 0.000 1.039 193 V CB 1.098 32.989 31.823 0.112 0.000 1.081 193 V HN 0.700 nan 8.190 nan 0.000 0.467 194 A N 2.220 125.132 122.820 0.154 0.000 2.477 194 A HA 0.268 4.589 4.320 0.002 0.000 0.246 194 A C 1.250 178.959 177.584 0.208 0.000 1.078 194 A CA 0.355 52.519 52.037 0.212 0.000 0.770 194 A CB -0.114 19.071 19.000 0.309 0.000 1.011 194 A HN 1.156 nan 8.150 nan 0.000 0.494 195 E N 1.707 122.016 120.200 0.181 0.000 2.204 195 E HA -0.269 4.083 4.350 0.002 0.000 0.194 195 E C 0.991 177.784 176.600 0.321 0.000 0.989 195 E CA 1.594 58.108 56.400 0.191 0.000 0.824 195 E CB -0.193 29.538 29.700 0.050 0.000 0.756 195 E HN 0.802 nan 8.360 nan 0.000 0.477 196 Q N 0.724 120.650 119.800 0.209 0.000 2.311 196 Q HA 0.001 4.343 4.340 0.002 0.000 0.203 196 Q C 0.631 176.704 176.000 0.121 0.000 0.954 196 Q CA 1.644 57.506 55.803 0.099 0.000 0.885 196 Q CB 0.575 29.238 28.738 -0.125 0.000 0.963 196 Q HN 0.458 nan 8.270 nan 0.000 0.471 197 T N -3.761 110.904 114.554 0.183 0.000 3.734 197 T HA 0.291 4.642 4.350 0.002 0.000 0.238 197 T C -2.509 172.280 174.700 0.148 0.000 1.205 197 T CA -1.198 60.993 62.100 0.153 0.000 1.606 197 T CB 1.052 70.033 68.868 0.187 0.000 0.832 197 T HN -0.044 nan 8.240 nan 0.000 0.655 198 P HA 0.278 nan 4.420 nan 0.000 0.245 198 P C 1.547 178.916 177.300 0.116 0.000 1.199 198 P CA -0.204 62.984 63.100 0.147 0.000 0.807 198 P CB 0.458 32.272 31.700 0.190 0.000 1.002 199 L N 0.454 121.727 121.223 0.083 0.000 1.988 199 L HA -0.107 4.234 4.340 0.002 0.000 0.207 199 L C 2.691 179.631 176.870 0.117 0.000 1.071 199 L CA 2.724 57.607 54.840 0.072 0.000 0.744 199 L CB -1.870 40.200 42.059 0.019 0.000 0.893 199 L HN 0.091 nan 8.230 nan 0.000 0.433 200 T N -2.009 112.602 114.554 0.095 0.000 2.788 200 T HA -0.116 4.235 4.350 0.002 0.000 0.268 200 T C 1.901 176.706 174.700 0.175 0.000 1.044 200 T CA 0.983 63.162 62.100 0.131 0.000 1.139 200 T CB -0.402 68.512 68.868 0.076 0.000 0.867 200 T HN 0.326 nan 8.240 nan 0.000 0.454 201 A N 1.417 124.313 122.820 0.126 0.000 1.969 201 A HA 0.233 4.554 4.320 0.002 0.000 0.218 201 A C 2.403 180.047 177.584 0.099 0.000 1.169 201 A CA 0.921 53.014 52.037 0.092 0.000 0.635 201 A CB -0.802 18.241 19.000 0.073 0.000 0.810 201 A HN 0.531 nan 8.150 nan 0.000 0.445 202 L N -2.146 119.180 121.223 0.172 0.000 2.093 202 L HA -0.163 4.178 4.340 0.002 0.000 0.208 202 L C 2.562 179.630 176.870 0.329 0.000 1.085 202 L CA 1.562 56.563 54.840 0.268 0.000 0.755 202 L CB -0.551 41.688 42.059 0.300 0.000 0.904 202 L HN 0.602 nan 8.230 nan 0.000 0.435 203 Y N 0.201 120.606 120.300 0.175 0.000 2.242 203 Y HA -0.189 4.362 4.550 0.002 0.000 0.291 203 Y C 2.349 178.325 175.900 0.126 0.000 1.137 203 Y CA 1.266 59.485 58.100 0.198 0.000 1.181 203 Y CB -0.261 38.372 38.460 0.288 0.000 0.989 203 Y HN -0.169 nan 8.280 nan 0.000 0.527 204 V N 0.648 120.581 119.914 0.032 0.000 2.392 204 V HA -0.355 3.766 4.120 0.002 0.000 0.249 204 V C 2.695 178.628 176.094 -0.269 0.000 1.059 204 V CA 1.684 63.910 62.300 -0.124 0.000 1.051 204 V CB -1.605 30.194 31.823 -0.039 0.000 0.658 204 V HN 0.586 nan 8.190 nan 0.000 0.455 205 A N 0.230 122.852 122.820 -0.331 0.000 1.948 205 A HA -0.330 3.991 4.320 0.002 0.000 0.220 205 A C 2.051 179.188 177.584 -0.744 0.000 1.177 205 A CA 2.483 53.998 52.037 -0.871 0.000 0.636 205 A CB -0.837 17.411 19.000 -1.254 0.000 0.815 205 A HN 0.603 nan 8.150 nan 0.000 0.449 206 N N -0.234 118.332 118.700 -0.224 0.000 2.120 206 N HA -0.073 4.668 4.740 0.002 0.000 0.188 206 N C 1.523 176.954 175.510 -0.131 0.000 1.024 206 N CA 1.506 54.540 53.050 -0.026 0.000 0.852 206 N CB -0.333 38.127 38.487 -0.046 0.000 1.003 206 N HN 0.512 nan 8.380 nan 0.000 0.424 207 L N -0.165 120.909 121.223 -0.249 0.000 2.156 207 L HA -0.012 4.329 4.340 0.002 0.000 0.208 207 L C 1.999 178.828 176.870 -0.068 0.000 1.095 207 L CA 0.522 55.267 54.840 -0.158 0.000 0.770 207 L CB -0.281 41.672 42.059 -0.177 0.000 0.914 207 L HN 0.206 nan 8.230 nan 0.000 0.439 208 I N 0.291 120.771 120.570 -0.149 0.000 2.226 208 I HA -0.320 3.851 4.170 0.002 0.000 0.245 208 I C 2.738 178.908 176.117 0.088 0.000 1.100 208 I CA 1.451 62.668 61.300 -0.138 0.000 1.374 208 I CB -0.230 37.568 38.000 -0.336 0.000 1.057 208 I HN 0.282 nan 8.210 nan 0.000 0.413 209 K N 1.062 121.520 120.400 0.097 0.000 2.057 209 K HA -0.235 4.086 4.320 0.002 0.000 0.206 209 K C 2.119 178.798 176.600 0.132 0.000 1.050 209 K CA 1.541 57.933 56.287 0.175 0.000 0.935 209 K CB -0.096 32.543 32.500 0.231 0.000 0.715 209 K HN 0.241 nan 8.250 nan 0.000 0.439 210 E N -0.079 120.175 120.200 0.089 0.000 2.152 210 E HA -0.134 4.217 4.350 0.002 0.000 0.192 210 E C 1.722 178.375 176.600 0.089 0.000 0.983 210 E CA 0.769 57.211 56.400 0.069 0.000 0.818 210 E CB -0.026 29.689 29.700 0.025 0.000 0.758 210 E HN 0.449 nan 8.360 nan 0.000 0.467 211 A N 0.250 123.152 122.820 0.136 0.000 1.933 211 A HA -0.026 4.295 4.320 0.002 0.000 0.218 211 A C 1.935 179.587 177.584 0.113 0.000 1.175 211 A CA 1.877 54.012 52.037 0.163 0.000 0.628 211 A CB -0.393 18.799 19.000 0.320 0.000 0.814 211 A HN 0.499 nan 8.150 nan 0.000 0.444 212 G N -3.458 105.430 108.800 0.146 0.000 2.273 212 G HA2 -0.077 3.884 3.960 0.002 0.000 0.162 212 G HA3 -0.077 3.884 3.960 0.002 0.000 0.162 212 G C -0.014 174.925 174.900 0.066 0.000 1.006 212 G CA -0.274 44.870 45.100 0.073 0.000 0.704 212 G HN 0.238 nan 8.290 nan 0.000 0.487 213 F N 2.354 122.329 119.950 0.041 0.000 2.608 213 F HA 0.381 4.910 4.527 0.002 0.000 0.380 213 F C -1.313 174.471 175.800 -0.027 0.000 1.083 213 F CA -1.106 56.890 58.000 -0.007 0.000 1.266 213 F CB 0.395 39.329 39.000 -0.110 0.000 1.076 213 F HN -0.094 nan 8.300 nan 0.000 0.574 214 P HA 0.092 nan 4.420 nan 0.000 0.268 214 P C -2.512 174.784 177.300 -0.006 0.000 1.205 214 P CA -1.022 62.120 63.100 0.070 0.000 0.771 214 P CB 0.046 31.820 31.700 0.125 0.000 0.858 215 P HA 0.030 nan 4.420 nan 0.000 0.266 215 P C 1.065 178.301 177.300 -0.107 0.000 1.195 215 P CA 1.158 64.207 63.100 -0.085 0.000 0.768 215 P CB 0.114 31.767 31.700 -0.079 0.000 0.838 216 G N 0.982 109.684 108.800 -0.163 0.000 2.205 216 G HA2 -0.297 3.664 3.960 0.002 0.000 0.261 216 G HA3 -0.297 3.664 3.960 0.002 0.000 0.261 216 G C 0.921 175.725 174.900 -0.160 0.000 0.980 216 G CA 0.264 45.276 45.100 -0.146 0.000 0.632 216 G HN 0.420 nan 8.290 nan 0.000 0.533 217 V N -0.305 119.467 119.914 -0.237 0.000 2.591 217 V HA 0.156 4.277 4.120 0.002 0.000 0.249 217 V C 1.267 177.170 176.094 -0.318 0.000 1.053 217 V CA 1.809 63.850 62.300 -0.431 0.000 1.068 217 V CB 0.465 31.766 31.823 -0.869 0.000 0.689 217 V HN 0.376 nan 8.190 nan 0.000 0.462 218 V N 1.691 121.482 119.914 -0.205 0.000 2.525 218 V HA 0.473 4.595 4.120 0.002 0.000 0.299 218 V C -0.901 175.199 176.094 0.010 0.000 1.034 218 V CA -0.807 61.421 62.300 -0.119 0.000 0.863 218 V CB 1.789 33.514 31.823 -0.163 0.000 0.999 218 V HN 0.413 nan 8.190 nan 0.000 0.423 219 N N 5.587 124.283 118.700 -0.006 0.000 2.346 219 N HA 0.606 5.347 4.740 0.002 0.000 0.289 219 N C -1.225 174.324 175.510 0.064 0.000 1.027 219 N CA -0.425 52.641 53.050 0.028 0.000 0.864 219 N CB 2.991 41.431 38.487 -0.078 0.000 1.370 219 N HN 0.503 nan 8.380 nan 0.000 0.481 220 I N 1.821 122.482 120.570 0.152 0.000 2.362 220 I HA 0.290 4.461 4.170 0.002 0.000 0.289 220 I C -0.297 175.892 176.117 0.121 0.000 0.994 220 I CA -0.929 60.435 61.300 0.108 0.000 1.158 220 I CB 1.893 39.943 38.000 0.082 0.000 1.315 220 I HN 0.075 nan 8.210 nan 0.000 0.451 221 V N 8.497 128.462 119.914 0.084 0.000 2.266 221 V HA 0.264 4.385 4.120 0.002 0.000 0.271 221 V C -2.029 174.115 176.094 0.083 0.000 1.032 221 V CA -1.573 60.777 62.300 0.083 0.000 0.806 221 V CB 1.061 32.909 31.823 0.042 0.000 1.052 221 V HN 0.573 nan 8.190 nan 0.000 0.449 222 P HA 0.512 nan 4.420 nan 0.000 0.272 222 P C 0.321 177.641 177.300 0.034 0.000 1.223 222 P CA 0.647 63.822 63.100 0.126 0.000 0.784 222 P CB 1.987 33.817 31.700 0.217 0.000 0.923 223 G N 0.815 109.509 108.800 -0.176 0.000 2.491 223 G HA2 0.287 4.248 3.960 0.002 0.000 0.183 223 G HA3 0.287 4.248 3.960 0.002 0.000 0.183 223 G C -1.767 172.608 174.900 -0.875 0.000 1.221 223 G CA -0.726 43.960 45.100 -0.690 0.000 0.996 223 G HN 0.337 nan 8.290 nan 0.000 0.474 224 F N 0.742 120.558 119.950 -0.224 0.000 2.507 224 F HA 0.587 5.115 4.527 0.002 0.000 0.327 224 F C 1.598 177.358 175.800 -0.067 0.000 1.068 224 F CA -0.136 57.762 58.000 -0.170 0.000 0.965 224 F CB 2.110 40.997 39.000 -0.189 0.000 1.192 224 F HN 0.706 nan 8.300 nan 0.000 0.476 225 G N 1.010 109.908 108.800 0.165 0.000 2.511 225 G HA2 -0.159 3.803 3.960 0.002 0.000 0.216 225 G HA3 -0.159 3.803 3.960 0.002 0.000 0.216 225 G C -0.978 173.951 174.900 0.049 0.000 1.218 225 G CA 0.816 45.970 45.100 0.090 0.000 0.788 225 G HN 0.476 nan 8.290 nan 0.000 0.560 226 P HA -0.070 nan 4.420 nan 0.000 0.221 226 P C 1.950 179.264 177.300 0.024 0.000 1.145 226 P CA 2.236 65.342 63.100 0.009 0.000 0.795 226 P CB -0.105 31.593 31.700 -0.004 0.000 0.775 227 T N -3.942 110.647 114.554 0.060 0.000 3.031 227 T HA 0.274 4.625 4.350 0.002 0.000 0.236 227 T C 1.959 176.687 174.700 0.047 0.000 1.005 227 T CA 0.643 62.779 62.100 0.059 0.000 1.230 227 T CB -1.157 67.771 68.868 0.100 0.000 0.913 227 T HN -0.077 nan 8.240 nan 0.000 0.419 228 A N 1.948 124.796 122.820 0.047 0.000 1.858 228 A HA 0.252 4.574 4.320 0.002 0.000 0.216 228 A C 2.686 180.291 177.584 0.035 0.000 1.190 228 A CA 1.997 54.053 52.037 0.031 0.000 0.617 228 A CB -1.762 17.240 19.000 0.005 0.000 0.827 228 A HN 0.669 nan 8.150 nan 0.000 0.443 229 G N -0.571 108.251 108.800 0.036 0.000 2.446 229 G HA2 -0.039 3.922 3.960 0.002 0.000 0.217 229 G HA3 -0.039 3.922 3.960 0.002 0.000 0.217 229 G C 1.770 176.667 174.900 -0.004 0.000 1.168 229 G CA 1.740 46.855 45.100 0.026 0.000 0.771 229 G HN 0.862 nan 8.290 nan 0.000 0.551 230 A N 1.062 123.875 122.820 -0.012 0.000 1.930 230 A HA 0.315 4.636 4.320 0.002 0.000 0.217 230 A C 2.828 180.413 177.584 0.002 0.000 1.175 230 A CA 2.154 54.177 52.037 -0.025 0.000 0.627 230 A CB -0.785 18.200 19.000 -0.026 0.000 0.815 230 A HN 0.832 nan 8.150 nan 0.000 0.443 231 A N 0.173 123.007 122.820 0.024 0.000 1.908 231 A HA -0.148 4.173 4.320 0.002 0.000 0.218 231 A C 2.122 179.764 177.584 0.097 0.000 1.181 231 A CA 1.659 53.728 52.037 0.053 0.000 0.627 231 A CB -0.647 18.392 19.000 0.065 0.000 0.818 231 A HN 0.514 nan 8.150 nan 0.000 0.445 232 I N -0.350 120.264 120.570 0.073 0.000 2.179 232 I HA -0.278 3.893 4.170 0.002 0.000 0.242 232 I C 2.907 179.064 176.117 0.067 0.000 1.088 232 I CA 1.148 62.491 61.300 0.071 0.000 1.357 232 I CB -0.358 37.665 38.000 0.039 0.000 1.051 232 I HN 0.355 nan 8.210 nan 0.000 0.409 233 A N -0.399 122.438 122.820 0.028 0.000 2.070 233 A HA -0.128 4.193 4.320 0.002 0.000 0.220 233 A C 2.314 179.903 177.584 0.009 0.000 1.159 233 A CA 1.906 53.944 52.037 0.002 0.000 0.656 233 A CB -0.354 18.616 19.000 -0.049 0.000 0.800 233 A HN 0.417 nan 8.150 nan 0.000 0.453 234 S N -1.480 114.234 115.700 0.022 0.000 2.512 234 S HA 0.103 4.574 4.470 0.002 0.000 0.216 234 S C 0.610 175.220 174.600 0.015 0.000 1.006 234 S CA -0.595 57.607 58.200 0.003 0.000 0.915 234 S CB -0.196 62.992 63.200 -0.021 0.000 0.824 234 S HN 0.687 nan 8.310 nan 0.000 0.497 235 H N 2.950 122.010 119.070 -0.017 0.000 3.094 235 H HA 0.018 4.575 4.556 0.002 0.000 0.320 235 H C 0.773 176.092 175.328 -0.015 0.000 1.000 235 H CA 0.800 56.840 56.048 -0.014 0.000 1.413 235 H CB 0.612 30.366 29.762 -0.013 0.000 1.405 235 H HN 0.216 nan 8.280 nan 0.000 0.586 236 E N 2.995 123.185 120.200 -0.017 0.000 2.371 236 E HA -0.098 4.253 4.350 0.002 0.000 0.194 236 E C 0.716 177.394 176.600 0.131 0.000 1.012 236 E CA 0.510 56.931 56.400 0.035 0.000 0.860 236 E CB 0.316 29.992 29.700 -0.039 0.000 0.811 236 E HN 0.571 nan 8.360 nan 0.000 0.502 237 D N 0.028 120.631 120.400 0.338 0.000 2.395 237 D HA 0.042 4.683 4.640 0.002 0.000 0.213 237 D C -0.467 175.877 176.300 0.073 0.000 1.110 237 D CA -0.044 54.071 54.000 0.191 0.000 0.835 237 D CB 0.620 41.541 40.800 0.203 0.000 0.965 237 D HN -0.201 nan 8.370 nan 0.000 0.505 238 V N 1.783 121.746 119.914 0.083 0.000 2.432 238 V HA 0.127 4.248 4.120 0.002 0.000 0.275 238 V C 1.012 177.101 176.094 -0.009 0.000 1.043 238 V CA -0.325 61.966 62.300 -0.015 0.000 0.925 238 V CB 1.739 33.554 31.823 -0.013 0.000 0.985 238 V HN 0.065 nan 8.190 nan 0.000 0.466 239 D N 3.234 123.606 120.400 -0.046 0.000 2.213 239 D HA 0.029 4.670 4.640 0.002 0.000 0.205 239 D C 0.763 177.041 176.300 -0.038 0.000 0.961 239 D CA 0.861 54.833 54.000 -0.047 0.000 0.853 239 D CB 0.727 41.472 40.800 -0.091 0.000 0.967 239 D HN 0.518 nan 8.370 nan 0.000 0.496 240 K N 0.506 120.888 120.400 -0.031 0.000 2.542 240 K HA 0.359 4.680 4.320 0.002 0.000 0.259 240 K C -2.112 174.489 176.600 0.002 0.000 0.932 240 K CA -0.590 55.681 56.287 -0.026 0.000 0.820 240 K CB 3.161 35.630 32.500 -0.052 0.000 1.345 240 K HN -0.175 nan 8.250 nan 0.000 0.432 241 V N 2.639 122.557 119.914 0.006 0.000 2.487 241 V HA 0.756 4.877 4.120 0.002 0.000 0.298 241 V C -1.201 174.928 176.094 0.057 0.000 1.028 241 V CA -0.340 61.984 62.300 0.040 0.000 0.860 241 V CB 1.337 33.183 31.823 0.039 0.000 0.991 241 V HN 0.875 nan 8.190 nan 0.000 0.427 242 A N 7.078 129.956 122.820 0.097 0.000 2.273 242 A HA 0.746 5.067 4.320 0.002 0.000 0.320 242 A C -1.053 176.634 177.584 0.171 0.000 1.358 242 A CA -0.394 51.708 52.037 0.108 0.000 0.910 242 A CB 0.383 19.459 19.000 0.128 0.000 1.159 242 A HN 1.018 nan 8.150 nan 0.000 0.526 243 F N 2.710 122.668 119.950 0.014 0.000 2.458 243 F HA 0.705 5.234 4.527 0.002 0.000 0.336 243 F C -0.236 175.571 175.800 0.012 0.000 1.114 243 F CA -0.161 57.848 58.000 0.014 0.000 0.987 243 F CB 2.062 41.065 39.000 0.005 0.000 1.130 243 F HN 0.367 nan 8.300 nan 0.000 0.458 244 T N 4.718 118.751 114.554 -0.869 0.000 2.841 244 T HA 0.784 5.135 4.350 0.002 0.000 0.285 244 T C -0.098 173.986 174.700 -1.027 0.000 0.991 244 T CA -0.175 61.481 62.100 -0.740 0.000 0.966 244 T CB 1.099 69.802 68.868 -0.275 0.000 0.962 244 T HN 1.177 nan 8.240 nan 0.000 0.438 245 G N 1.950 110.257 108.800 -0.822 0.000 2.347 245 G HA2 0.293 4.254 3.960 0.002 0.000 0.224 245 G HA3 0.293 4.254 3.960 0.002 0.000 0.224 245 G C -0.214 174.528 174.900 -0.263 0.000 1.318 245 G CA -0.264 44.510 45.100 -0.544 0.000 1.016 245 G HN 1.227 nan 8.290 nan 0.000 0.469 246 S N -0.028 115.641 115.700 -0.051 0.000 2.715 246 S HA 0.214 4.685 4.470 0.002 0.000 0.318 246 S C 1.559 176.248 174.600 0.149 0.000 1.242 246 S CA 1.595 59.824 58.200 0.050 0.000 1.044 246 S CB 0.488 63.773 63.200 0.143 0.000 0.760 246 S HN 1.378 nan 8.310 nan 0.000 0.501 247 T N 3.327 117.941 114.554 0.101 0.000 2.962 247 T HA -0.050 4.301 4.350 0.002 0.000 0.270 247 T C 1.531 176.315 174.700 0.139 0.000 1.088 247 T CA 1.305 63.503 62.100 0.164 0.000 1.127 247 T CB -0.255 68.770 68.868 0.262 0.000 0.883 247 T HN 0.841 nan 8.240 nan 0.000 0.493 248 E N 0.577 120.844 120.200 0.111 0.000 2.033 248 E HA -0.083 4.269 4.350 0.002 0.000 0.189 248 E C 1.855 178.482 176.600 0.046 0.000 0.979 248 E CA 0.679 57.121 56.400 0.069 0.000 0.802 248 E CB 0.050 29.783 29.700 0.055 0.000 0.763 248 E HN 0.232 nan 8.360 nan 0.000 0.449 249 I N 1.209 121.817 120.570 0.064 0.000 2.361 249 I HA -0.119 4.052 4.170 0.002 0.000 0.251 249 I C 2.472 178.469 176.117 -0.200 0.000 1.133 249 I CA 1.271 62.526 61.300 -0.074 0.000 1.413 249 I CB -1.787 36.171 38.000 -0.070 0.000 1.073 249 I HN 0.184 nan 8.210 nan 0.000 0.424 250 G N 1.171 110.025 108.800 0.090 0.000 2.505 250 G HA2 -0.295 3.666 3.960 0.002 0.000 0.220 250 G HA3 -0.295 3.666 3.960 0.002 0.000 0.220 250 G C 1.884 176.779 174.900 -0.009 0.000 1.145 250 G CA 0.789 45.977 45.100 0.147 0.000 0.761 250 G HN 0.360 nan 8.290 nan 0.000 0.571 251 R N -0.108 120.386 120.500 -0.011 0.000 2.081 251 R HA -0.011 4.331 4.340 0.002 0.000 0.235 251 R C 2.613 178.873 176.300 -0.065 0.000 1.131 251 R CA 1.148 57.232 56.100 -0.027 0.000 0.960 251 R CB -0.707 29.584 30.300 -0.016 0.000 0.856 251 R HN 0.308 nan 8.270 nan 0.000 0.436 252 V N 1.683 121.535 119.914 -0.104 0.000 2.380 252 V HA -0.277 3.844 4.120 0.002 0.000 0.251 252 V C 2.227 178.241 176.094 -0.133 0.000 1.063 252 V CA 1.534 63.761 62.300 -0.122 0.000 1.055 252 V CB -0.606 31.123 31.823 -0.157 0.000 0.657 252 V HN 0.207 nan 8.190 nan 0.000 0.455 253 I N 0.030 120.493 120.570 -0.178 0.000 2.163 253 I HA -0.246 3.925 4.170 0.002 0.000 0.240 253 I C 2.555 178.631 176.117 -0.067 0.000 1.081 253 I CA 1.730 62.944 61.300 -0.143 0.000 1.353 253 I CB -1.523 36.387 38.000 -0.150 0.000 1.054 253 I HN 0.379 nan 8.210 nan 0.000 0.407 254 Q N 0.507 120.278 119.800 -0.047 0.000 2.135 254 Q HA -0.145 4.196 4.340 0.002 0.000 0.204 254 Q C 2.266 178.246 176.000 -0.033 0.000 0.981 254 Q CA 1.807 57.593 55.803 -0.029 0.000 0.856 254 Q CB 0.129 28.855 28.738 -0.019 0.000 0.902 254 Q HN 0.348 nan 8.270 nan 0.000 0.425 255 V N 0.092 119.983 119.914 -0.039 0.000 2.446 255 V HA -0.114 4.007 4.120 0.002 0.000 0.244 255 V C 2.193 178.265 176.094 -0.036 0.000 1.039 255 V CA 1.368 63.647 62.300 -0.036 0.000 1.045 255 V CB -0.716 31.085 31.823 -0.036 0.000 0.681 255 V HN 0.494 nan 8.190 nan 0.000 0.459 256 A N 0.148 122.941 122.820 -0.045 0.000 1.940 256 A HA -0.138 4.184 4.320 0.002 0.000 0.219 256 A C 2.335 179.901 177.584 -0.030 0.000 1.176 256 A CA 2.298 54.310 52.037 -0.042 0.000 0.631 256 A CB -0.605 18.362 19.000 -0.055 0.000 0.814 256 A HN 0.560 nan 8.150 nan 0.000 0.446 257 A N -0.987 121.816 122.820 -0.028 0.000 1.935 257 A HA 0.311 4.632 4.320 0.002 0.000 0.214 257 A C 2.342 179.915 177.584 -0.018 0.000 1.178 257 A CA 1.420 53.447 52.037 -0.018 0.000 0.640 257 A CB -1.113 17.878 19.000 -0.015 0.000 0.825 257 A HN 0.691 nan 8.150 nan 0.000 0.447 258 G N -0.656 108.130 108.800 -0.022 0.000 2.443 258 G HA2 -0.026 3.935 3.960 0.002 0.000 0.219 258 G HA3 -0.026 3.935 3.960 0.002 0.000 0.219 258 G C 1.465 176.352 174.900 -0.021 0.000 1.131 258 G CA 1.263 46.350 45.100 -0.022 0.000 0.775 258 G HN 0.491 nan 8.290 nan 0.000 0.547 259 S N 0.215 115.902 115.700 -0.023 0.000 2.548 259 S HA 0.072 4.543 4.470 0.002 0.000 0.215 259 S C 2.315 176.901 174.600 -0.023 0.000 0.976 259 S CA 0.661 58.847 58.200 -0.023 0.000 0.908 259 S CB 0.295 63.480 63.200 -0.026 0.000 0.781 259 S HN 0.584 nan 8.310 nan 0.000 0.519 260 S N 3.418 119.106 115.700 -0.020 0.000 2.460 260 S HA 0.071 4.542 4.470 0.002 0.000 0.185 260 S C 1.035 175.626 174.600 -0.015 0.000 0.908 260 S CA 0.447 58.635 58.200 -0.019 0.000 0.894 260 S CB -0.456 62.736 63.200 -0.014 0.000 0.855 260 S HN 0.513 nan 8.310 nan 0.000 0.574 261 N N 1.032 119.728 118.700 -0.007 0.000 2.305 261 N HA 0.264 5.005 4.740 0.002 0.000 0.248 261 N C 0.140 175.647 175.510 -0.005 0.000 1.290 261 N CA -0.052 52.996 53.050 -0.004 0.000 0.873 261 N CB -0.259 38.232 38.487 0.008 0.000 1.261 261 N HN 0.566 nan 8.380 nan 0.000 0.504 262 L N -0.445 120.772 121.223 -0.010 0.000 4.232 262 L HA -0.303 4.039 4.340 0.002 0.000 0.415 262 L C 0.002 176.863 176.870 -0.015 0.000 1.168 262 L CA 0.849 55.681 54.840 -0.014 0.000 0.966 262 L CB -1.832 40.218 42.059 -0.014 0.000 2.052 262 L HN 0.440 nan 8.230 nan 0.000 0.887 263 K N 0.577 120.970 120.400 -0.011 0.000 2.336 263 K HA 0.322 4.643 4.320 0.002 0.000 0.262 263 K C 0.498 177.084 176.600 -0.024 0.000 0.992 263 K CA -0.488 55.790 56.287 -0.014 0.000 0.927 263 K CB 0.573 33.070 32.500 -0.005 0.000 0.956 263 K HN 0.105 nan 8.250 nan 0.000 0.495 264 R N 1.102 121.581 120.500 -0.034 0.000 2.389 264 R HA 0.153 4.494 4.340 0.002 0.000 0.295 264 R C -1.035 175.237 176.300 -0.048 0.000 1.075 264 R CA -0.348 55.722 56.100 -0.049 0.000 1.005 264 R CB 0.671 30.929 30.300 -0.069 0.000 0.987 264 R HN 0.485 nan 8.270 nan 0.000 0.452 265 V N 3.192 123.079 119.914 -0.045 0.000 2.483 265 V HA 0.291 4.412 4.120 0.002 0.000 0.297 265 V C 0.047 176.120 176.094 -0.035 0.000 1.027 265 V CA -0.905 61.378 62.300 -0.028 0.000 0.855 265 V CB 1.711 33.526 31.823 -0.013 0.000 0.995 265 V HN 0.920 nan 8.190 nan 0.000 0.424 266 T N 3.371 117.907 114.554 -0.029 0.000 2.855 266 T HA 0.862 5.213 4.350 0.002 0.000 0.281 266 T C -0.837 173.878 174.700 0.025 0.000 1.007 266 T CA -0.648 61.431 62.100 -0.034 0.000 1.009 266 T CB 1.570 70.385 68.868 -0.089 0.000 0.983 266 T HN 0.390 nan 8.240 nan 0.000 0.455 267 L N 2.016 123.251 121.223 0.019 0.000 2.381 267 L HA 0.601 4.943 4.340 0.002 0.000 0.268 267 L C -0.205 176.657 176.870 -0.014 0.000 0.997 267 L CA -0.860 54.016 54.840 0.060 0.000 0.818 267 L CB 2.217 44.335 42.059 0.098 0.000 1.310 267 L HN 0.690 nan 8.230 nan 0.000 0.416 268 E N 4.926 125.089 120.200 -0.062 0.000 2.402 268 E HA 0.472 4.823 4.350 0.002 0.000 0.244 268 E C -1.231 175.290 176.600 -0.132 0.000 0.945 268 E CA -0.266 56.063 56.400 -0.118 0.000 0.774 268 E CB 2.148 31.766 29.700 -0.137 0.000 1.296 268 E HN 0.419 nan 8.360 nan 0.000 0.414 269 L N -0.089 121.101 121.223 -0.055 0.000 2.299 269 L HA 0.689 5.030 4.340 0.002 0.000 0.268 269 L C 1.260 178.102 176.870 -0.048 0.000 1.012 269 L CA -1.182 53.645 54.840 -0.023 0.000 0.816 269 L CB 0.559 42.679 42.059 0.102 0.000 1.355 269 L HN 0.390 nan 8.230 nan 0.000 0.457 270 G N -1.163 107.574 108.800 -0.105 0.000 2.441 270 G HA2 0.534 4.495 3.960 0.002 0.000 0.258 270 G HA3 0.534 4.495 3.960 0.002 0.000 0.258 270 G C -0.157 174.425 174.900 -0.529 0.000 1.487 270 G CA 0.251 45.213 45.100 -0.229 0.000 1.058 270 G HN 1.013 nan 8.290 nan 0.000 0.552 271 G N -2.390 105.938 108.800 -0.786 0.000 2.342 271 G HA2 0.455 4.417 3.960 0.002 0.000 0.297 271 G HA3 0.455 4.417 3.960 0.002 0.000 0.297 271 G C -1.248 173.419 174.900 -0.389 0.000 1.313 271 G CA -0.229 44.365 45.100 -0.844 0.000 0.830 271 G HN 0.621 nan 8.290 nan 0.000 0.506 272 K N 0.620 120.990 120.400 -0.050 0.000 3.309 272 K HA 0.449 4.770 4.320 0.002 0.000 0.187 272 K C 0.177 176.863 176.600 0.144 0.000 1.085 272 K CA -0.231 56.103 56.287 0.078 0.000 0.867 272 K CB 0.075 32.670 32.500 0.158 0.000 0.846 272 K HN 0.544 nan 8.250 nan 0.000 0.522 273 S N 3.386 119.181 115.700 0.159 0.000 2.673 273 S HA 0.033 4.504 4.470 0.002 0.000 0.308 273 S C -2.253 172.505 174.600 0.263 0.000 1.246 273 S CA -0.523 57.810 58.200 0.222 0.000 1.077 273 S CB -0.107 63.288 63.200 0.325 0.000 0.814 273 S HN 0.352 nan 8.310 nan 0.000 0.503 274 P HA 0.164 nan 4.420 nan 0.000 0.286 274 P C -0.900 176.604 177.300 0.340 0.000 1.269 274 P CA -0.512 62.784 63.100 0.327 0.000 0.787 274 P CB 0.458 32.279 31.700 0.201 0.000 0.920 275 N N 3.888 122.806 118.700 0.363 0.000 2.501 275 N HA 0.299 5.040 4.740 0.002 0.000 0.245 275 N C -0.696 174.997 175.510 0.306 0.000 0.974 275 N CA -0.631 52.636 53.050 0.362 0.000 0.941 275 N CB 0.343 38.960 38.487 0.216 0.000 1.122 275 N HN 0.309 nan 8.380 nan 0.000 0.507 276 I N 4.797 125.540 120.570 0.289 0.000 2.315 276 I HA 0.273 4.444 4.170 0.002 0.000 0.291 276 I C -0.104 176.188 176.117 0.292 0.000 1.006 276 I CA -0.665 60.774 61.300 0.231 0.000 1.265 276 I CB 1.115 39.152 38.000 0.062 0.000 1.387 276 I HN 0.352 nan 8.210 nan 0.000 0.475 277 I N 6.874 127.582 120.570 0.230 0.000 2.328 277 I HA 0.342 4.513 4.170 0.002 0.000 0.287 277 I C 0.120 176.362 176.117 0.209 0.000 1.012 277 I CA -0.526 60.854 61.300 0.134 0.000 1.195 277 I CB 0.856 38.697 38.000 -0.265 0.000 1.350 277 I HN 0.479 nan 8.210 nan 0.000 0.464 278 M N 3.740 123.481 119.600 0.236 0.000 2.247 278 M HA 0.174 4.655 4.480 0.002 0.000 0.326 278 M C 1.683 178.043 176.300 0.101 0.000 1.134 278 M CA -0.088 55.327 55.300 0.192 0.000 1.136 278 M CB 0.883 33.600 32.600 0.195 0.000 1.454 278 M HN 0.682 nan 8.290 nan 0.000 0.467 279 S N 0.491 116.218 115.700 0.046 0.000 2.419 279 S HA -0.171 4.300 4.470 0.002 0.000 0.235 279 S C 0.790 175.427 174.600 0.062 0.000 1.019 279 S CA 1.536 59.753 58.200 0.029 0.000 0.982 279 S CB -0.549 62.649 63.200 -0.003 0.000 0.789 279 S HN 0.767 nan 8.310 nan 0.000 0.490 280 D N 1.583 122.030 120.400 0.078 0.000 2.358 280 D HA 0.450 5.092 4.640 0.002 0.000 0.224 280 D C 0.472 176.843 176.300 0.120 0.000 1.123 280 D CA 0.012 54.063 54.000 0.085 0.000 0.833 280 D CB -0.245 40.596 40.800 0.069 0.000 0.946 280 D HN 0.522 nan 8.370 nan 0.000 0.505 281 A N 0.222 123.133 122.820 0.151 0.000 2.313 281 A HA 0.308 4.629 4.320 0.002 0.000 0.261 281 A C -0.036 177.676 177.584 0.214 0.000 1.090 281 A CA -0.493 51.674 52.037 0.217 0.000 0.807 281 A CB 0.272 19.438 19.000 0.276 0.000 1.055 281 A HN 0.120 nan 8.150 nan 0.000 0.492 282 D N 1.218 121.784 120.400 0.276 0.000 2.338 282 D HA 0.202 4.843 4.640 0.002 0.000 0.255 282 D C 1.024 177.490 176.300 0.277 0.000 1.237 282 D CA -0.212 53.944 54.000 0.261 0.000 0.883 282 D CB 0.447 41.422 40.800 0.293 0.000 1.087 282 D HN 0.398 nan 8.370 nan 0.000 0.485 283 M N 3.537 123.262 119.600 0.209 0.000 2.082 283 M HA -0.209 4.272 4.480 0.002 0.000 0.258 283 M C 1.102 177.508 176.300 0.176 0.000 1.071 283 M CA 1.833 57.253 55.300 0.200 0.000 1.103 283 M CB -0.402 32.283 32.600 0.142 0.000 1.307 283 M HN 0.406 nan 8.290 nan 0.000 0.409 284 D N -1.006 119.490 120.400 0.161 0.000 2.133 284 D HA -0.278 4.364 4.640 0.002 0.000 0.192 284 D C 1.885 178.328 176.300 0.238 0.000 1.001 284 D CA 1.721 55.812 54.000 0.152 0.000 0.844 284 D CB -0.793 40.096 40.800 0.148 0.000 0.944 284 D HN 0.687 nan 8.370 nan 0.000 0.447 285 W N 1.385 122.739 121.300 0.090 0.000 2.407 285 W HA -0.096 4.565 4.660 0.002 0.000 0.305 285 W C 2.294 178.889 176.519 0.126 0.000 1.196 285 W CA 1.214 58.636 57.345 0.129 0.000 1.311 285 W CB 0.010 29.582 29.460 0.188 0.000 1.135 285 W HN -0.026 nan 8.180 nan 0.000 0.514 286 A N 0.405 123.286 122.820 0.102 0.000 1.883 286 A HA -0.201 4.120 4.320 0.002 0.000 0.217 286 A C 1.972 179.481 177.584 -0.126 0.000 1.186 286 A CA 2.231 54.126 52.037 -0.235 0.000 0.624 286 A CB -1.202 17.819 19.000 0.035 0.000 0.822 286 A HN 0.159 nan 8.150 nan 0.000 0.444 287 V N 0.061 119.999 119.914 0.040 0.000 2.343 287 V HA -0.222 3.899 4.120 0.002 0.000 0.247 287 V C 2.629 178.606 176.094 -0.195 0.000 1.051 287 V CA 2.389 64.551 62.300 -0.230 0.000 1.036 287 V CB -0.690 30.910 31.823 -0.372 0.000 0.654 287 V HN 0.689 nan 8.190 nan 0.000 0.451 288 E N -0.249 119.849 120.200 -0.170 0.000 2.150 288 E HA -0.178 4.173 4.350 0.002 0.000 0.193 288 E C 2.219 178.706 176.600 -0.189 0.000 0.985 288 E CA 1.152 57.464 56.400 -0.148 0.000 0.814 288 E CB -0.160 29.484 29.700 -0.093 0.000 0.752 288 E HN 0.492 nan 8.360 nan 0.000 0.466 289 Q N -0.535 119.017 119.800 -0.413 0.000 2.163 289 Q HA 0.128 4.469 4.340 0.002 0.000 0.198 289 Q C 2.097 177.960 176.000 -0.227 0.000 0.954 289 Q CA 1.234 56.799 55.803 -0.397 0.000 0.851 289 Q CB -0.359 28.006 28.738 -0.622 0.000 0.928 289 Q HN 0.356 nan 8.270 nan 0.000 0.459 290 A N 0.114 122.781 122.820 -0.256 0.000 1.940 290 A HA -0.244 4.077 4.320 0.002 0.000 0.219 290 A C 1.912 179.483 177.584 -0.021 0.000 1.176 290 A CA 2.008 53.969 52.037 -0.126 0.000 0.631 290 A CB -0.741 18.363 19.000 0.173 0.000 0.814 290 A HN 0.478 nan 8.150 nan 0.000 0.446 291 H N -1.934 117.127 119.070 -0.015 0.000 2.326 291 H HA -0.099 4.458 4.556 0.002 0.000 0.301 291 H C 1.734 177.206 175.328 0.240 0.000 1.081 291 H CA 2.040 58.191 56.048 0.172 0.000 1.334 291 H CB -0.357 29.436 29.762 0.051 0.000 1.385 291 H HN 0.463 nan 8.280 nan 0.000 0.504 292 F N 0.827 120.831 119.950 0.090 0.000 2.095 292 F HA -0.217 4.312 4.527 0.002 0.000 0.298 292 F C 2.559 178.329 175.800 -0.049 0.000 1.104 292 F CA 1.552 59.579 58.000 0.044 0.000 1.232 292 F CB -0.665 38.308 39.000 -0.044 0.000 0.987 292 F HN 0.304 nan 8.300 nan 0.000 0.475 293 A N 0.213 122.880 122.820 -0.254 0.000 1.958 293 A HA -0.247 4.075 4.320 0.002 0.000 0.221 293 A C 2.135 179.430 177.584 -0.482 0.000 1.178 293 A CA 2.232 53.894 52.037 -0.625 0.000 0.642 293 A CB -1.103 17.113 19.000 -1.308 0.000 0.816 293 A HN 0.616 nan 8.150 nan 0.000 0.453 294 L N -3.207 117.759 121.223 -0.428 0.000 2.286 294 L HA 0.287 4.629 4.340 0.002 0.000 0.203 294 L C 1.919 178.481 176.870 -0.513 0.000 1.068 294 L CA 0.835 55.383 54.840 -0.487 0.000 0.811 294 L CB 0.016 41.689 42.059 -0.644 0.000 0.989 294 L HN 0.281 nan 8.230 nan 0.000 0.467 295 F N -0.871 118.878 119.950 -0.335 0.000 2.710 295 F HA 0.052 4.580 4.527 0.002 0.000 0.298 295 F C 0.964 176.630 175.800 -0.223 0.000 1.137 295 F CA -0.094 57.725 58.000 -0.301 0.000 1.444 295 F CB -0.187 38.539 39.000 -0.456 0.000 1.111 295 F HN -0.064 nan 8.300 nan 0.000 0.580 296 F N 1.994 121.743 119.950 -0.334 0.000 2.607 296 F HA -0.012 4.516 4.527 0.002 0.000 0.374 296 F C 1.194 176.870 175.800 -0.207 0.000 1.104 296 F CA -0.135 57.638 58.000 -0.378 0.000 1.296 296 F CB 0.165 38.670 39.000 -0.826 0.000 1.085 296 F HN 0.102 nan 8.300 nan 0.000 0.584 297 N N 3.645 121.743 118.700 -1.003 0.000 2.738 297 N HA -0.292 4.449 4.740 0.002 0.000 0.249 297 N C -0.132 175.118 175.510 -0.434 0.000 1.047 297 N CA 1.322 53.867 53.050 -0.841 0.000 0.707 297 N CB -1.111 36.768 38.487 -1.013 0.000 0.937 297 N HN 0.786 nan 8.380 nan 0.000 0.545 298 Q N -1.675 117.976 119.800 -0.249 0.000 2.457 298 Q HA -0.171 4.170 4.340 0.002 0.000 0.283 298 Q C 1.190 177.104 176.000 -0.144 0.000 1.234 298 Q CA 2.106 57.837 55.803 -0.119 0.000 0.877 298 Q CB -1.771 26.910 28.738 -0.096 0.000 1.250 298 Q HN 1.177 nan 8.270 nan 0.000 0.481 299 G N -0.905 107.766 108.800 -0.214 0.000 2.186 299 G HA2 -0.391 3.570 3.960 0.002 0.000 0.266 299 G HA3 -0.391 3.570 3.960 0.002 0.000 0.266 299 G C 0.052 174.672 174.900 -0.466 0.000 0.982 299 G CA 0.625 45.549 45.100 -0.294 0.000 0.670 299 G HN 0.503 nan 8.290 nan 0.000 0.533 300 Q N -0.216 119.266 119.800 -0.529 0.000 3.091 300 Q HA 0.513 4.854 4.340 0.002 0.000 0.301 300 Q C -0.182 175.210 176.000 -1.013 0.000 1.337 300 Q CA -0.269 54.938 55.803 -0.992 0.000 1.083 300 Q CB 0.543 29.131 28.738 -0.250 0.000 1.477 300 Q HN 0.366 nan 8.270 nan 0.000 0.537 301 C N -0.129 118.641 119.300 -0.882 0.000 2.482 301 C HA 0.224 4.685 4.460 0.002 0.000 0.317 301 C C 1.952 176.885 174.990 -0.094 0.000 1.197 301 C CA -1.062 57.806 59.018 -0.250 0.000 1.432 301 C CB 0.604 28.406 27.740 0.104 0.000 2.062 301 C HN 0.934 nan 8.230 nan 0.000 0.471 302 C N 0.046 119.497 119.300 0.251 0.000 2.403 302 C HA -0.129 4.333 4.460 0.002 0.000 0.277 302 C C 1.988 177.144 174.990 0.278 0.000 1.248 302 C CA 1.403 60.628 59.018 0.344 0.000 1.762 302 C CB -2.238 25.675 27.740 0.289 0.000 2.014 302 C HN 0.954 nan 8.230 nan 0.000 0.486 303 C N 1.081 120.616 119.300 0.393 0.000 2.688 303 C HA 0.727 5.188 4.460 0.002 0.000 0.297 303 C C 1.335 176.613 174.990 0.481 0.000 1.308 303 C CA -0.893 58.406 59.018 0.469 0.000 1.726 303 C CB -2.393 25.781 27.740 0.723 0.000 1.982 303 C HN 0.701 nan 8.230 nan 0.000 0.604 304 A N 1.194 124.174 122.820 0.267 0.000 2.565 304 A HA 0.435 4.756 4.320 0.002 0.000 0.237 304 A C 1.171 178.838 177.584 0.139 0.000 1.053 304 A CA 0.851 52.965 52.037 0.129 0.000 0.755 304 A CB -0.119 18.828 19.000 -0.089 0.000 0.980 304 A HN 1.136 nan 8.150 nan 0.000 0.506 305 G N 1.772 110.548 108.800 -0.041 0.000 3.102 305 G HA2 0.317 4.278 3.960 0.002 0.000 0.264 305 G HA3 0.317 4.278 3.960 0.002 0.000 0.264 305 G C 0.909 175.758 174.900 -0.084 0.000 0.788 305 G CA 0.364 45.434 45.100 -0.051 0.000 2.029 305 G HN 1.122 nan 8.290 nan 0.000 0.608 306 S N 0.421 116.106 115.700 -0.025 0.000 2.607 306 S HA 0.136 4.607 4.470 0.002 0.000 0.224 306 S C 0.998 175.579 174.600 -0.032 0.000 0.969 306 S CA -0.067 58.092 58.200 -0.067 0.000 0.927 306 S CB 0.415 63.581 63.200 -0.057 0.000 0.772 306 S HN 0.420 nan 8.310 nan 0.000 0.533 307 R N 1.740 122.257 120.500 0.028 0.000 2.407 307 R HA 0.304 4.645 4.340 0.002 0.000 0.298 307 R C -1.228 175.091 176.300 0.033 0.000 1.166 307 R CA -0.090 56.013 56.100 0.006 0.000 1.006 307 R CB 1.411 31.799 30.300 0.145 0.000 1.145 307 R HN 0.128 nan 8.270 nan 0.000 0.538 308 T N 4.211 118.722 114.554 -0.072 0.000 2.811 308 T HA 0.303 4.654 4.350 0.002 0.000 0.309 308 T C -0.299 174.375 174.700 -0.043 0.000 1.005 308 T CA -0.147 61.957 62.100 0.007 0.000 0.955 308 T CB -0.035 68.860 68.868 0.045 0.000 0.970 308 T HN 0.172 nan 8.240 nan 0.000 0.496 309 F N 2.578 122.579 119.950 0.085 0.000 2.411 309 F HA 0.492 5.020 4.527 0.002 0.000 0.350 309 F C 0.258 176.224 175.800 0.276 0.000 1.114 309 F CA -0.838 57.274 58.000 0.186 0.000 1.135 309 F CB 1.035 40.032 39.000 -0.005 0.000 1.120 309 F HN 0.183 nan 8.300 nan 0.000 0.495 310 V N 3.795 123.995 119.914 0.478 0.000 2.531 310 V HA 0.253 4.374 4.120 0.002 0.000 0.301 310 V C -0.099 176.057 176.094 0.105 0.000 1.034 310 V CA -1.136 61.294 62.300 0.216 0.000 0.865 310 V CB 1.472 33.283 31.823 -0.020 0.000 0.995 310 V HN 0.599 nan 8.190 nan 0.000 0.424 311 Q N 2.926 122.588 119.800 -0.230 0.000 2.349 311 Q HA -0.020 4.321 4.340 0.002 0.000 0.287 311 Q C 1.464 177.333 176.000 -0.219 0.000 1.044 311 Q CA 0.576 56.013 55.803 -0.610 0.000 0.918 311 Q CB 1.044 29.508 28.738 -0.457 0.000 1.242 311 Q HN 1.036 nan 8.270 nan 0.000 0.405 312 E N 2.612 122.665 120.200 -0.245 0.000 2.086 312 E HA -0.282 4.069 4.350 0.002 0.000 0.200 312 E C 0.508 177.105 176.600 -0.006 0.000 1.012 312 E CA 1.883 58.223 56.400 -0.100 0.000 0.812 312 E CB -0.057 29.568 29.700 -0.124 0.000 0.743 312 E HN 0.562 nan 8.360 nan 0.000 0.453 313 D N 0.652 121.031 120.400 -0.036 0.000 2.263 313 D HA -0.107 4.534 4.640 0.002 0.000 0.208 313 D C 1.910 178.236 176.300 0.042 0.000 0.971 313 D CA 1.525 55.527 54.000 0.003 0.000 0.867 313 D CB 0.003 40.795 40.800 -0.014 0.000 0.929 313 D HN 0.654 nan 8.370 nan 0.000 0.492 314 I N -4.205 116.399 120.570 0.055 0.000 4.327 314 I HA 0.173 4.344 4.170 0.002 0.000 0.331 314 I C 1.817 178.018 176.117 0.140 0.000 1.348 314 I CA -0.546 60.807 61.300 0.088 0.000 1.152 314 I CB -0.180 37.861 38.000 0.069 0.000 1.151 314 I HN -0.218 nan 8.210 nan 0.000 0.410 315 Y N 2.973 123.287 120.300 0.023 0.000 2.030 315 Y HA -0.371 4.180 4.550 0.002 0.000 0.272 315 Y C 2.112 178.085 175.900 0.122 0.000 1.185 315 Y CA 2.518 60.654 58.100 0.060 0.000 1.120 315 Y CB -0.125 38.348 38.460 0.022 0.000 0.955 315 Y HN 0.198 nan 8.280 nan 0.000 0.495 316 D N -0.119 120.387 120.400 0.177 0.000 2.084 316 D HA -0.214 4.427 4.640 0.002 0.000 0.194 316 D C 2.116 178.424 176.300 0.014 0.000 0.990 316 D CA 1.723 55.770 54.000 0.079 0.000 0.826 316 D CB -0.572 40.309 40.800 0.136 0.000 0.971 316 D HN 0.615 nan 8.370 nan 0.000 0.453 317 E N -0.529 119.704 120.200 0.055 0.000 2.118 317 E HA -0.200 4.151 4.350 0.002 0.000 0.195 317 E C 2.058 178.677 176.600 0.032 0.000 0.992 317 E CA 0.617 57.041 56.400 0.041 0.000 0.804 317 E CB -0.199 29.539 29.700 0.063 0.000 0.741 317 E HN 0.210 nan 8.360 nan 0.000 0.458 318 F N 0.721 120.617 119.950 -0.089 0.000 2.075 318 F HA -0.206 4.322 4.527 0.002 0.000 0.297 318 F C 2.143 177.849 175.800 -0.157 0.000 1.113 318 F CA 1.425 59.358 58.000 -0.111 0.000 1.218 318 F CB -0.340 38.595 39.000 -0.109 0.000 0.984 318 F HN -0.123 nan 8.300 nan 0.000 0.472 319 V N 0.430 120.294 119.914 -0.083 0.000 2.287 319 V HA -0.343 3.778 4.120 0.002 0.000 0.248 319 V C 2.380 178.377 176.094 -0.162 0.000 1.053 319 V CA 2.343 64.531 62.300 -0.186 0.000 1.027 319 V CB -0.828 30.804 31.823 -0.318 0.000 0.646 319 V HN 0.378 nan 8.190 nan 0.000 0.447 320 E N -0.055 120.072 120.200 -0.121 0.000 2.070 320 E HA -0.282 4.069 4.350 0.002 0.000 0.197 320 E C 2.504 179.022 176.600 -0.135 0.000 1.004 320 E CA 1.849 58.191 56.400 -0.097 0.000 0.805 320 E CB -0.088 29.576 29.700 -0.060 0.000 0.744 320 E HN 0.570 nan 8.360 nan 0.000 0.451 321 R N -0.210 120.178 120.500 -0.188 0.000 2.090 321 R HA -0.020 4.321 4.340 0.002 0.000 0.228 321 R C 2.590 178.720 176.300 -0.282 0.000 1.110 321 R CA 1.186 57.151 56.100 -0.225 0.000 0.973 321 R CB -0.142 30.008 30.300 -0.251 0.000 0.869 321 R HN -0.009 nan 8.270 nan 0.000 0.440 322 S N 0.469 115.943 115.700 -0.375 0.000 2.382 322 S HA -0.093 4.378 4.470 0.002 0.000 0.228 322 S C 2.113 176.629 174.600 -0.140 0.000 1.027 322 S CA 1.163 59.182 58.200 -0.303 0.000 0.991 322 S CB -0.102 62.900 63.200 -0.331 0.000 0.823 322 S HN 0.065 nan 8.310 nan 0.000 0.469 323 V N 2.096 121.935 119.914 -0.125 0.000 2.295 323 V HA -0.198 3.923 4.120 0.002 0.000 0.246 323 V C 2.682 178.714 176.094 -0.104 0.000 1.049 323 V CA 1.673 63.923 62.300 -0.083 0.000 1.024 323 V CB -1.301 30.479 31.823 -0.072 0.000 0.648 323 V HN 0.532 nan 8.190 nan 0.000 0.447 324 A N 0.429 123.176 122.820 -0.121 0.000 1.892 324 A HA -0.318 4.003 4.320 0.002 0.000 0.218 324 A C 2.308 179.795 177.584 -0.162 0.000 1.188 324 A CA 2.508 54.471 52.037 -0.124 0.000 0.631 324 A CB -0.596 18.333 19.000 -0.117 0.000 0.822 324 A HN 0.457 nan 8.150 nan 0.000 0.447 325 R N 0.117 120.487 120.500 -0.216 0.000 2.073 325 R HA -0.041 4.300 4.340 0.002 0.000 0.234 325 R C 2.189 178.264 176.300 -0.375 0.000 1.134 325 R CA 2.176 58.070 56.100 -0.343 0.000 0.952 325 R CB -1.092 28.939 30.300 -0.449 0.000 0.850 325 R HN 0.410 nan 8.270 nan 0.000 0.433 326 A N 0.511 123.197 122.820 -0.223 0.000 1.898 326 A HA -0.098 4.223 4.320 0.002 0.000 0.216 326 A C 2.034 179.521 177.584 -0.161 0.000 1.181 326 A CA 1.568 53.505 52.037 -0.167 0.000 0.620 326 A CB -0.403 18.514 19.000 -0.138 0.000 0.819 326 A HN 0.387 nan 8.150 nan 0.000 0.442 327 K N 0.432 120.758 120.400 -0.123 0.000 2.211 327 K HA -0.141 4.180 4.320 0.002 0.000 0.204 327 K C 2.194 178.735 176.600 -0.099 0.000 1.047 327 K CA 1.625 57.855 56.287 -0.096 0.000 0.935 327 K CB -0.147 32.305 32.500 -0.081 0.000 0.728 327 K HN 0.685 nan 8.250 nan 0.000 0.452 328 S N 0.341 115.965 115.700 -0.127 0.000 2.501 328 S HA -0.029 4.442 4.470 0.002 0.000 0.220 328 S C 0.899 175.433 174.600 -0.110 0.000 0.997 328 S CA -0.297 57.835 58.200 -0.114 0.000 0.919 328 S CB -0.039 63.084 63.200 -0.129 0.000 0.778 328 S HN 0.151 nan 8.310 nan 0.000 0.523 329 R N 1.923 122.342 120.500 -0.134 0.000 2.480 329 R HA 0.132 4.473 4.340 0.002 0.000 0.303 329 R C -1.005 175.263 176.300 -0.053 0.000 0.985 329 R CA 0.009 56.053 56.100 -0.095 0.000 1.051 329 R CB 0.124 30.357 30.300 -0.110 0.000 0.935 329 R HN 0.189 nan 8.270 nan 0.000 0.410 330 V N 6.454 126.352 119.914 -0.028 0.000 2.470 330 V HA 0.104 4.225 4.120 0.002 0.000 0.276 330 V C 0.160 176.258 176.094 0.007 0.000 1.040 330 V CA -0.187 62.104 62.300 -0.016 0.000 1.008 330 V CB 1.268 33.086 31.823 -0.009 0.000 0.990 330 V HN 0.462 nan 8.190 nan 0.000 0.477 331 V N 4.870 124.783 119.914 -0.001 0.000 2.513 331 V HA 1.019 5.140 4.120 0.002 0.000 0.299 331 V C 0.634 176.697 176.094 -0.051 0.000 1.035 331 V CA 0.533 62.850 62.300 0.028 0.000 0.889 331 V CB 1.104 32.965 31.823 0.062 0.000 0.988 331 V HN 1.128 nan 8.190 nan 0.000 0.440 332 G N 3.368 112.150 108.800 -0.031 0.000 2.399 332 G HA2 0.107 4.068 3.960 0.002 0.000 0.256 332 G HA3 0.107 4.068 3.960 0.002 0.000 0.256 332 G C -0.912 173.984 174.900 -0.006 0.000 1.236 332 G CA -0.782 44.203 45.100 -0.192 0.000 0.914 332 G HN 0.655 nan 8.290 nan 0.000 0.482 333 N N 2.227 120.914 118.700 -0.022 0.000 2.374 333 N HA 0.177 4.918 4.740 0.002 0.000 0.269 333 N C -0.625 174.947 175.510 0.103 0.000 1.310 333 N CA -0.940 52.164 53.050 0.089 0.000 0.877 333 N CB 1.309 39.841 38.487 0.076 0.000 1.096 333 N HN 0.121 nan 8.380 nan 0.000 0.484 334 P HA -0.141 nan 4.420 nan 0.000 0.221 334 P C 0.770 178.024 177.300 -0.075 0.000 1.145 334 P CA 1.273 64.346 63.100 -0.045 0.000 0.795 334 P CB -0.057 31.528 31.700 -0.193 0.000 0.775 335 F N -0.387 119.598 119.950 0.059 0.000 2.811 335 F HA 0.061 4.589 4.527 0.002 0.000 0.301 335 F C 1.272 177.073 175.800 0.001 0.000 1.151 335 F CA 0.086 58.086 58.000 0.001 0.000 1.412 335 F CB -0.028 38.917 39.000 -0.092 0.000 1.113 335 F HN -0.118 nan 8.300 nan 0.000 0.579 336 D N -0.006 120.493 120.400 0.166 0.000 2.249 336 D HA 0.031 4.672 4.640 0.002 0.000 0.246 336 D C 1.149 177.512 176.300 0.105 0.000 1.114 336 D CA 0.179 54.243 54.000 0.106 0.000 0.854 336 D CB 1.609 42.447 40.800 0.062 0.000 1.132 336 D HN 0.120 nan 8.370 nan 0.000 0.461 337 S N 3.673 119.432 115.700 0.098 0.000 2.420 337 S HA -0.204 4.267 4.470 0.002 0.000 0.237 337 S C 1.455 176.098 174.600 0.073 0.000 1.023 337 S CA 0.976 59.236 58.200 0.098 0.000 0.991 337 S CB 0.002 63.249 63.200 0.079 0.000 0.792 337 S HN 0.497 nan 8.310 nan 0.000 0.488 338 K N 0.943 121.374 120.400 0.052 0.000 2.400 338 K HA 0.146 4.468 4.320 0.002 0.000 0.194 338 K C 0.023 176.645 176.600 0.036 0.000 1.033 338 K CA 0.292 56.600 56.287 0.036 0.000 1.021 338 K CB 0.006 32.517 32.500 0.017 0.000 0.808 338 K HN 0.272 nan 8.250 nan 0.000 0.505 339 T N 1.576 116.159 114.554 0.047 0.000 2.853 339 T HA 0.023 4.374 4.350 0.002 0.000 0.298 339 T C 0.754 175.491 174.700 0.062 0.000 0.978 339 T CA 0.302 62.430 62.100 0.047 0.000 1.152 339 T CB 1.064 69.966 68.868 0.057 0.000 0.914 339 T HN 0.183 nan 8.240 nan 0.000 0.539 340 E N 1.676 121.911 120.200 0.057 0.000 2.251 340 E HA 0.047 4.399 4.350 0.002 0.000 0.194 340 E C 0.816 177.464 176.600 0.081 0.000 0.964 340 E CA 0.236 56.681 56.400 0.076 0.000 0.868 340 E CB 0.526 30.264 29.700 0.064 0.000 0.828 340 E HN 0.561 nan 8.360 nan 0.000 0.481 341 Q N 0.264 120.109 119.800 0.076 0.000 2.275 341 Q HA 0.386 4.728 4.340 0.002 0.000 0.266 341 Q C -0.516 175.566 176.000 0.137 0.000 1.002 341 Q CA -0.586 55.267 55.803 0.084 0.000 0.761 341 Q CB 1.711 30.500 28.738 0.085 0.000 1.255 341 Q HN 0.141 nan 8.270 nan 0.000 0.446 342 G N 3.386 112.249 108.800 0.104 0.000 2.494 342 G HA2 0.529 4.490 3.960 0.002 0.000 0.270 342 G HA3 0.529 4.490 3.960 0.002 0.000 0.270 342 G C -2.494 172.443 174.900 0.062 0.000 1.423 342 G CA -0.834 44.364 45.100 0.162 0.000 1.055 342 G HN 0.566 nan 8.290 nan 0.000 0.536 343 P HA 0.239 nan 4.420 nan 0.000 0.281 343 P C -0.815 176.324 177.300 -0.268 0.000 1.264 343 P CA -0.554 62.115 63.100 -0.718 0.000 0.824 343 P CB 1.089 31.905 31.700 -1.473 0.000 1.092 344 Q N 0.143 119.874 119.800 -0.115 0.000 2.454 344 Q HA 0.031 4.372 4.340 0.002 0.000 0.247 344 Q C 1.358 177.274 176.000 -0.140 0.000 1.028 344 Q CA -0.178 55.598 55.803 -0.045 0.000 0.910 344 Q CB 0.159 28.957 28.738 0.100 0.000 1.276 344 Q HN 0.236 nan 8.270 nan 0.000 0.489 345 V N 0.685 120.432 119.914 -0.278 0.000 2.490 345 V HA -0.195 3.926 4.120 0.002 0.000 0.250 345 V C 0.169 176.001 176.094 -0.437 0.000 1.061 345 V CA 2.609 64.648 62.300 -0.435 0.000 1.064 345 V CB -0.108 31.119 31.823 -0.995 0.000 0.670 345 V HN 0.982 nan 8.190 nan 0.000 0.461 346 D N -3.305 116.761 120.400 -0.557 0.000 2.738 346 D HA 0.089 4.730 4.640 0.002 0.000 0.308 346 D C 0.595 176.289 176.300 -1.010 0.000 1.311 346 D CA -0.086 53.421 54.000 -0.822 0.000 0.799 346 D CB 0.578 41.056 40.800 -0.537 0.000 1.332 346 D HN -0.025 nan 8.370 nan 0.000 0.441 347 E N -0.578 118.963 120.200 -1.098 0.000 2.106 347 E HA -0.127 4.224 4.350 0.002 0.000 0.192 347 E C 1.171 177.666 176.600 -0.175 0.000 0.984 347 E CA 1.626 57.697 56.400 -0.549 0.000 0.806 347 E CB -0.040 29.478 29.700 -0.304 0.000 0.750 347 E HN 0.526 nan 8.360 nan 0.000 0.458 348 T N 1.254 115.684 114.554 -0.206 0.000 2.665 348 T HA -0.188 4.163 4.350 0.002 0.000 0.268 348 T C 1.806 176.461 174.700 -0.075 0.000 1.035 348 T CA 1.248 63.279 62.100 -0.114 0.000 1.151 348 T CB -0.150 68.649 68.868 -0.115 0.000 0.862 348 T HN 0.128 nan 8.240 nan 0.000 0.438 349 Q N -0.195 119.528 119.800 -0.128 0.000 2.123 349 Q HA 0.065 4.406 4.340 0.002 0.000 0.199 349 Q C 2.055 178.073 176.000 0.030 0.000 0.966 349 Q CA 0.961 56.740 55.803 -0.040 0.000 0.845 349 Q CB -0.644 28.009 28.738 -0.141 0.000 0.907 349 Q HN 0.540 nan 8.270 nan 0.000 0.439 350 F N 2.213 122.055 119.950 -0.179 0.000 2.069 350 F HA -0.228 4.301 4.527 0.002 0.000 0.298 350 F C 1.914 177.697 175.800 -0.028 0.000 1.113 350 F CA 1.726 59.667 58.000 -0.099 0.000 1.214 350 F CB -0.013 38.888 39.000 -0.165 0.000 0.978 350 F HN 0.011 nan 8.300 nan 0.000 0.474 351 K N -0.135 120.243 120.400 -0.037 0.000 2.217 351 K HA -0.147 4.174 4.320 0.002 0.000 0.202 351 K C 2.088 178.627 176.600 -0.101 0.000 1.051 351 K CA 1.144 57.361 56.287 -0.116 0.000 0.952 351 K CB -0.255 32.231 32.500 -0.023 0.000 0.736 351 K HN 0.239 nan 8.250 nan 0.000 0.453 352 K N 1.491 121.863 120.400 -0.045 0.000 2.057 352 K HA -0.086 4.235 4.320 0.002 0.000 0.207 352 K C 1.956 178.590 176.600 0.057 0.000 1.049 352 K CA 1.190 57.468 56.287 -0.015 0.000 0.931 352 K CB -0.003 32.534 32.500 0.061 0.000 0.714 352 K HN 0.053 nan 8.250 nan 0.000 0.440 353 I N 0.629 121.255 120.570 0.093 0.000 2.500 353 I HA -0.207 3.965 4.170 0.002 0.000 0.252 353 I C 1.929 178.096 176.117 0.084 0.000 1.142 353 I CA 0.580 61.984 61.300 0.174 0.000 1.451 353 I CB -0.019 38.052 38.000 0.119 0.000 1.093 353 I HN 0.134 nan 8.210 nan 0.000 0.430 354 L N 0.435 121.615 121.223 -0.071 0.000 2.046 354 L HA -0.153 4.188 4.340 0.002 0.000 0.208 354 L C 2.652 179.503 176.870 -0.031 0.000 1.077 354 L CA 1.648 56.434 54.840 -0.091 0.000 0.747 354 L CB -1.092 40.831 42.059 -0.228 0.000 0.896 354 L HN 0.331 nan 8.230 nan 0.000 0.432 355 G N -1.390 107.368 108.800 -0.070 0.000 2.432 355 G HA2 -0.282 3.679 3.960 0.002 0.000 0.219 355 G HA3 -0.282 3.679 3.960 0.002 0.000 0.219 355 G C 1.394 176.232 174.900 -0.103 0.000 1.135 355 G CA 0.558 45.591 45.100 -0.112 0.000 0.767 355 G HN 0.321 nan 8.290 nan 0.000 0.550 356 Y N 0.381 120.681 120.300 0.000 0.000 2.220 356 Y HA 0.043 4.595 4.550 0.002 0.000 0.291 356 Y C 2.783 178.700 175.900 0.028 0.000 1.129 356 Y CA 0.541 58.646 58.100 0.009 0.000 1.161 356 Y CB 0.017 38.492 38.460 0.025 0.000 0.997 356 Y HN 0.107 nan 8.280 nan 0.000 0.522 357 I N 0.049 120.767 120.570 0.246 0.000 2.208 357 I HA -0.373 3.798 4.170 0.002 0.000 0.245 357 I C 2.403 178.654 176.117 0.223 0.000 1.097 357 I CA 1.514 62.997 61.300 0.306 0.000 1.363 357 I CB -0.562 37.585 38.000 0.246 0.000 1.051 357 I HN 0.376 nan 8.210 nan 0.000 0.413 358 N N 0.634 119.402 118.700 0.113 0.000 2.069 358 N HA -0.198 4.543 4.740 0.002 0.000 0.191 358 N C 1.781 177.312 175.510 0.035 0.000 1.031 358 N CA 2.278 55.366 53.050 0.063 0.000 0.852 358 N CB 0.018 38.512 38.487 0.013 0.000 1.018 358 N HN 0.291 nan 8.380 nan 0.000 0.423 359 T N -0.267 114.294 114.554 0.013 0.000 2.684 359 T HA -0.101 4.250 4.350 0.002 0.000 0.267 359 T C 1.764 176.425 174.700 -0.064 0.000 1.036 359 T CA 1.430 63.523 62.100 -0.012 0.000 1.148 359 T CB -0.806 68.070 68.868 0.014 0.000 0.863 359 T HN 0.483 nan 8.240 nan 0.000 0.436 360 G N 1.037 109.748 108.800 -0.150 0.000 2.432 360 G HA2 -0.202 3.759 3.960 0.002 0.000 0.219 360 G HA3 -0.202 3.759 3.960 0.002 0.000 0.219 360 G C 1.657 176.339 174.900 -0.363 0.000 1.135 360 G CA 0.859 45.671 45.100 -0.479 0.000 0.767 360 G HN 0.407 nan 8.290 nan 0.000 0.550 361 K N -0.070 120.292 120.400 -0.063 0.000 2.025 361 K HA -0.035 4.286 4.320 0.002 0.000 0.207 361 K C 2.798 179.415 176.600 0.029 0.000 1.049 361 K CA 1.164 57.506 56.287 0.091 0.000 0.933 361 K CB -0.049 32.547 32.500 0.161 0.000 0.714 361 K HN 0.139 nan 8.250 nan 0.000 0.438 362 Q N 0.704 120.506 119.800 0.004 0.000 2.170 362 Q HA -0.166 4.176 4.340 0.002 0.000 0.203 362 Q C 1.409 177.401 176.000 -0.014 0.000 0.976 362 Q CA 1.360 57.162 55.803 -0.001 0.000 0.858 362 Q CB -0.121 28.614 28.738 -0.005 0.000 0.907 362 Q HN 0.487 nan 8.270 nan 0.000 0.433 363 E N -0.351 119.824 120.200 -0.041 0.000 2.427 363 E HA 0.085 4.436 4.350 0.002 0.000 0.196 363 E C 0.622 177.201 176.600 -0.036 0.000 1.028 363 E CA 0.419 56.792 56.400 -0.046 0.000 0.864 363 E CB 0.181 29.836 29.700 -0.076 0.000 0.813 363 E HN 0.537 nan 8.360 nan 0.000 0.514 364 G N 1.007 109.793 108.800 -0.023 0.000 2.144 364 G HA2 -0.250 3.711 3.960 0.002 0.000 0.218 364 G HA3 -0.250 3.711 3.960 0.002 0.000 0.218 364 G C 0.282 175.193 174.900 0.017 0.000 0.988 364 G CA -0.084 45.020 45.100 0.006 0.000 0.659 364 G HN 0.428 nan 8.290 nan 0.000 0.522 365 A N 0.102 122.905 122.820 -0.029 0.000 2.425 365 A HA 0.613 4.935 4.320 0.002 0.000 0.249 365 A C 0.657 178.383 177.584 0.237 0.000 1.084 365 A CA 0.582 52.629 52.037 0.016 0.000 0.781 365 A CB 0.375 19.215 19.000 -0.265 0.000 1.019 365 A HN 0.554 nan 8.150 nan 0.000 0.490 366 K N 2.404 122.964 120.400 0.266 0.000 2.278 366 K HA 0.234 4.555 4.320 0.002 0.000 0.289 366 K C -0.492 176.272 176.600 0.274 0.000 1.080 366 K CA -0.356 56.074 56.287 0.237 0.000 0.934 366 K CB -0.123 32.476 32.500 0.166 0.000 1.093 366 K HN 0.590 nan 8.250 nan 0.000 0.459 367 L N 5.902 127.258 121.223 0.221 0.000 2.477 367 L HA 0.060 4.401 4.340 0.002 0.000 0.272 367 L C 0.097 176.920 176.870 -0.078 0.000 1.157 367 L CA 0.660 55.449 54.840 -0.085 0.000 0.889 367 L CB 0.445 42.455 42.059 -0.081 0.000 1.158 367 L HN 0.776 nan 8.230 nan 0.000 0.473 368 L N 4.770 125.912 121.223 -0.136 0.000 2.642 368 L HA 0.252 4.594 4.340 0.002 0.000 0.233 368 L C 0.226 177.048 176.870 -0.080 0.000 1.077 368 L CA 0.146 54.946 54.840 -0.067 0.000 0.879 368 L CB 0.177 42.213 42.059 -0.037 0.000 1.151 368 L HN 0.834 nan 8.230 nan 0.000 0.495 369 C N -3.013 116.213 119.300 -0.124 0.000 3.292 369 C HA 0.742 5.203 4.460 0.002 0.000 0.338 369 C C 0.794 175.714 174.990 -0.116 0.000 1.323 369 C CA -0.556 58.406 59.018 -0.094 0.000 1.232 369 C CB 0.810 28.510 27.740 -0.067 0.000 1.517 369 C HN 0.601 nan 8.230 nan 0.000 0.470 370 G N 0.750 109.506 108.800 -0.074 0.000 2.582 370 G HA2 0.342 4.303 3.960 0.002 0.000 0.288 370 G HA3 0.342 4.303 3.960 0.002 0.000 0.288 370 G C 1.217 176.068 174.900 -0.081 0.000 1.247 370 G CA 2.109 47.175 45.100 -0.057 0.000 0.972 370 G HN 3.373 nan 8.290 nan 0.000 0.557 371 G N -2.119 106.638 108.800 -0.070 0.000 2.138 371 G HA2 0.517 4.479 3.960 0.002 0.000 0.193 371 G HA3 0.517 4.479 3.960 0.002 0.000 0.193 371 G C 1.302 176.199 174.900 -0.006 0.000 0.998 371 G CA 0.767 45.832 45.100 -0.059 0.000 0.668 371 G HN 2.701 nan 8.290 nan 0.000 0.516 372 G N -1.114 107.688 108.800 0.003 0.000 2.619 372 G HA2 0.631 4.592 3.960 0.002 0.000 0.305 372 G HA3 0.631 4.592 3.960 0.002 0.000 0.305 372 G C -0.387 174.538 174.900 0.042 0.000 1.330 372 G CA -0.629 44.479 45.100 0.013 0.000 0.789 372 G HN 0.677 nan 8.290 nan 0.000 0.487 373 I N 1.149 121.760 120.570 0.069 0.000 2.710 373 I HA 0.256 4.427 4.170 0.002 0.000 0.286 373 I C 1.441 177.647 176.117 0.148 0.000 1.181 373 I CA 0.369 61.767 61.300 0.164 0.000 1.430 373 I CB 1.544 39.667 38.000 0.206 0.000 1.367 373 I HN 0.592 nan 8.210 nan 0.000 0.577 374 A N 5.037 127.978 122.820 0.201 0.000 2.343 374 A HA 0.695 5.016 4.320 0.002 0.000 0.223 374 A C 0.650 178.261 177.584 0.045 0.000 1.214 374 A CA 0.486 52.592 52.037 0.115 0.000 0.900 374 A CB 0.234 19.315 19.000 0.134 0.000 0.942 374 A HN 0.792 nan 8.150 nan 0.000 0.507 375 A N -0.277 122.605 122.820 0.103 0.000 2.589 375 A HA 0.529 4.850 4.320 0.002 0.000 0.296 375 A C -0.515 177.115 177.584 0.077 0.000 1.062 375 A CA -0.125 51.911 52.037 -0.001 0.000 0.686 375 A CB 0.608 19.470 19.000 -0.231 0.000 1.282 375 A HN 0.071 nan 8.150 nan 0.000 0.404 376 D N 0.367 120.780 120.400 0.021 0.000 2.347 376 D HA 0.003 4.644 4.640 0.002 0.000 0.215 376 D C 0.556 176.864 176.300 0.012 0.000 0.976 376 D CA 0.698 54.718 54.000 0.032 0.000 0.884 376 D CB 0.448 41.253 40.800 0.009 0.000 0.915 376 D HN 0.434 nan 8.370 nan 0.000 0.526 377 R N 0.122 120.623 120.500 0.002 0.000 2.534 377 R HA 0.479 4.820 4.340 0.002 0.000 0.301 377 R C 0.133 176.465 176.300 0.052 0.000 0.961 377 R CA 0.075 56.161 56.100 -0.024 0.000 0.871 377 R CB 1.798 32.078 30.300 -0.034 0.000 1.170 377 R HN 0.127 nan 8.270 nan 0.000 0.446 378 G N 2.006 110.676 108.800 -0.218 0.000 2.685 378 G HA2 -0.277 3.684 3.960 0.002 0.000 0.387 378 G HA3 -0.277 3.684 3.960 0.002 0.000 0.387 378 G C -0.955 173.436 174.900 -0.848 0.000 1.324 378 G CA -0.560 44.220 45.100 -0.534 0.000 0.878 378 G HN 0.658 nan 8.290 nan 0.000 0.527 379 Y N -0.014 119.815 120.300 -0.785 0.000 2.813 379 Y HA 0.536 5.087 4.550 0.002 0.000 0.378 379 Y C 0.538 176.178 175.900 -0.433 0.000 1.023 379 Y CA -0.807 56.670 58.100 -1.038 0.000 1.567 379 Y CB 0.035 38.046 38.460 -0.748 0.000 1.492 379 Y HN 0.324 nan 8.280 nan 0.000 0.533 380 F N 1.518 121.531 119.950 0.104 0.000 2.394 380 F HA 0.518 5.047 4.527 0.002 0.000 0.340 380 F C 0.113 176.136 175.800 0.371 0.000 1.105 380 F CA -0.928 57.197 58.000 0.207 0.000 1.124 380 F CB 0.748 39.794 39.000 0.077 0.000 1.145 380 F HN -0.000 nan 8.300 nan 0.000 0.505 381 I N 2.246 123.057 120.570 0.403 0.000 2.545 381 I HA 0.238 4.410 4.170 0.002 0.000 0.292 381 I C -0.573 175.653 176.117 0.182 0.000 1.040 381 I CA -1.002 60.449 61.300 0.252 0.000 1.068 381 I CB 1.971 40.059 38.000 0.147 0.000 1.251 381 I HN 0.526 nan 8.210 nan 0.000 0.424 382 Q N 5.984 125.860 119.800 0.126 0.000 2.330 382 Q HA 0.124 4.465 4.340 0.002 0.000 0.279 382 Q C -2.255 173.802 176.000 0.095 0.000 1.024 382 Q CA -1.499 54.356 55.803 0.085 0.000 0.900 382 Q CB -0.032 28.731 28.738 0.042 0.000 1.221 382 Q HN 0.244 nan 8.270 nan 0.000 0.396 383 P HA -0.081 nan 4.420 nan 0.000 0.257 383 P C -1.026 176.354 177.300 0.134 0.000 1.189 383 P CA 0.651 63.836 63.100 0.141 0.000 0.780 383 P CB 0.397 32.029 31.700 -0.115 0.000 0.772 384 T N 2.962 117.638 114.554 0.205 0.000 2.855 384 T HA 0.502 4.853 4.350 0.002 0.000 0.281 384 T C -0.302 174.411 174.700 0.021 0.000 1.007 384 T CA -0.437 61.672 62.100 0.015 0.000 1.009 384 T CB 1.087 69.919 68.868 -0.061 0.000 0.983 384 T HN -0.051 nan 8.240 nan 0.000 0.455 385 V N 3.461 123.293 119.914 -0.136 0.000 2.482 385 V HA 0.468 4.589 4.120 0.002 0.000 0.295 385 V C -1.061 174.910 176.094 -0.204 0.000 1.026 385 V CA -0.916 61.341 62.300 -0.071 0.000 0.856 385 V CB 1.071 32.904 31.823 0.017 0.000 1.001 385 V HN 0.830 nan 8.190 nan 0.000 0.424 386 F N 2.425 122.394 119.950 0.033 0.000 2.420 386 F HA 0.785 5.314 4.527 0.002 0.000 0.342 386 F C 1.001 176.826 175.800 0.042 0.000 1.113 386 F CA -0.156 57.863 58.000 0.031 0.000 1.059 386 F CB 2.044 41.054 39.000 0.018 0.000 1.128 386 F HN 0.599 nan 8.300 nan 0.000 0.475 387 G N 0.605 109.565 108.800 0.266 0.000 2.597 387 G HA2 0.357 4.318 3.960 0.002 0.000 0.317 387 G HA3 0.357 4.318 3.960 0.002 0.000 0.317 387 G C -0.690 174.346 174.900 0.226 0.000 1.230 387 G CA -0.706 44.529 45.100 0.226 0.000 0.996 387 G HN 0.654 nan 8.290 nan 0.000 0.490 388 D N -1.091 119.470 120.400 0.268 0.000 2.737 388 D HA -0.162 4.479 4.640 0.002 0.000 0.233 388 D C 0.699 177.045 176.300 0.077 0.000 1.155 388 D CA 0.690 54.778 54.000 0.146 0.000 0.667 388 D CB -1.170 39.697 40.800 0.112 0.000 1.060 388 D HN 0.208 nan 8.370 nan 0.000 0.427 389 V N 0.769 120.724 119.914 0.069 0.000 2.715 389 V HA 0.054 4.175 4.120 0.002 0.000 0.299 389 V C 0.851 176.929 176.094 -0.027 0.000 1.054 389 V CA 0.086 62.387 62.300 0.002 0.000 1.077 389 V CB 1.629 33.438 31.823 -0.023 0.000 0.972 389 V HN 0.045 nan 8.190 nan 0.000 0.484 390 Q N 2.043 121.827 119.800 -0.026 0.000 2.301 390 Q HA 0.361 4.702 4.340 0.002 0.000 0.267 390 Q C 0.385 176.383 176.000 -0.002 0.000 1.035 390 Q CA -0.808 54.990 55.803 -0.008 0.000 0.856 390 Q CB 1.493 30.232 28.738 0.002 0.000 1.337 390 Q HN 0.633 nan 8.270 nan 0.000 0.450 391 D N 1.324 121.742 120.400 0.030 0.000 2.123 391 D HA -0.121 4.520 4.640 0.002 0.000 0.196 391 D C 1.544 177.864 176.300 0.034 0.000 0.992 391 D CA 1.773 55.804 54.000 0.053 0.000 0.833 391 D CB -0.066 40.786 40.800 0.086 0.000 0.954 391 D HN 0.835 nan 8.370 nan 0.000 0.455 392 G N -0.229 108.585 108.800 0.023 0.000 2.598 392 G HA2 -0.063 3.898 3.960 0.002 0.000 0.215 392 G HA3 -0.063 3.898 3.960 0.002 0.000 0.215 392 G C 0.772 175.675 174.900 0.006 0.000 1.131 392 G CA -0.117 44.992 45.100 0.016 0.000 0.785 392 G HN 0.177 nan 8.290 nan 0.000 0.539 393 M N 0.630 120.226 119.600 -0.007 0.000 2.248 393 M HA 0.110 4.591 4.480 0.002 0.000 0.337 393 M C 1.878 178.170 176.300 -0.014 0.000 1.121 393 M CA -0.048 55.236 55.300 -0.026 0.000 1.155 393 M CB 0.887 33.450 32.600 -0.060 0.000 1.514 393 M HN -0.060 nan 8.290 nan 0.000 0.452 394 T N 2.624 117.175 114.554 -0.005 0.000 2.720 394 T HA -0.131 4.220 4.350 0.002 0.000 0.268 394 T C 1.525 176.235 174.700 0.016 0.000 1.037 394 T CA 1.813 63.935 62.100 0.036 0.000 1.144 394 T CB -0.460 68.456 68.868 0.080 0.000 0.864 394 T HN 0.758 nan 8.240 nan 0.000 0.444 395 I N -0.256 120.289 120.570 -0.042 0.000 2.756 395 I HA 0.153 4.324 4.170 0.002 0.000 0.262 395 I C 2.192 178.259 176.117 -0.084 0.000 1.225 395 I CA 0.973 62.215 61.300 -0.097 0.000 1.472 395 I CB -0.366 37.514 38.000 -0.201 0.000 1.094 395 I HN 0.078 nan 8.210 nan 0.000 0.454 396 A N 0.913 123.703 122.820 -0.051 0.000 2.308 396 A HA 0.228 4.549 4.320 0.002 0.000 0.217 396 A C 2.032 179.631 177.584 0.025 0.000 1.216 396 A CA -0.012 52.010 52.037 -0.025 0.000 0.864 396 A CB -0.096 18.885 19.000 -0.032 0.000 0.902 396 A HN 0.457 nan 8.150 nan 0.000 0.499 397 K N -0.227 120.191 120.400 0.030 0.000 2.403 397 K HA 0.161 4.482 4.320 0.002 0.000 0.199 397 K C -0.250 176.413 176.600 0.106 0.000 1.199 397 K CA 0.258 56.588 56.287 0.072 0.000 0.924 397 K CB 0.600 33.134 32.500 0.056 0.000 1.137 397 K HN 0.400 nan 8.250 nan 0.000 0.510 398 E N 2.318 122.550 120.200 0.054 0.000 2.191 398 E HA 0.062 4.413 4.350 0.002 0.000 0.278 398 E C -0.902 175.644 176.600 -0.089 0.000 0.972 398 E CA -0.438 55.994 56.400 0.054 0.000 0.804 398 E CB 1.580 31.333 29.700 0.088 0.000 1.110 398 E HN 0.103 nan 8.360 nan 0.000 0.394 399 E N 4.235 124.422 120.200 -0.022 0.000 2.265 399 E HA -0.017 4.334 4.350 0.002 0.000 0.272 399 E C 0.066 176.564 176.600 -0.169 0.000 1.067 399 E CA -0.027 56.329 56.400 -0.074 0.000 0.900 399 E CB 0.399 30.061 29.700 -0.063 0.000 1.017 399 E HN 0.599 nan 8.360 nan 0.000 0.431 400 I N 4.050 124.477 120.570 -0.239 0.000 2.406 400 I HA -0.089 4.083 4.170 0.002 0.000 0.249 400 I C 0.507 176.684 176.117 0.101 0.000 1.122 400 I CA 0.202 61.314 61.300 -0.313 0.000 1.431 400 I CB -0.075 37.754 38.000 -0.285 0.000 1.087 400 I HN 0.705 nan 8.210 nan 0.000 0.424 401 F N 1.099 120.992 119.950 -0.096 0.000 3.018 401 F HA -0.189 4.340 4.527 0.002 0.000 0.287 401 F C 0.585 176.391 175.800 0.009 0.000 0.813 401 F CA 0.602 58.590 58.000 -0.019 0.000 1.209 401 F CB -1.496 37.540 39.000 0.059 0.000 1.321 401 F HN 0.134 nan 8.300 nan 0.000 0.477 402 G N -0.809 108.007 108.800 0.027 0.000 2.818 402 G HA2 0.680 4.641 3.960 0.002 0.000 0.286 402 G HA3 0.680 4.641 3.960 0.002 0.000 0.286 402 G C -2.756 172.097 174.900 -0.080 0.000 1.364 402 G CA -0.908 44.199 45.100 0.011 0.000 0.938 402 G HN -0.151 nan 8.290 nan 0.000 0.490 403 P HA 0.221 nan 4.420 nan 0.000 0.228 403 P C -0.506 176.772 177.300 -0.036 0.000 1.748 403 P CA -0.098 62.995 63.100 -0.012 0.000 0.909 403 P CB 0.061 31.881 31.700 0.200 0.000 1.882 404 V N 1.756 121.579 119.914 -0.153 0.000 2.378 404 V HA 0.409 4.530 4.120 0.002 0.000 0.288 404 V C 0.256 176.249 176.094 -0.168 0.000 1.016 404 V CA -0.701 61.564 62.300 -0.058 0.000 0.840 404 V CB 1.988 33.864 31.823 0.087 0.000 0.994 404 V HN 0.227 nan 8.190 nan 0.000 0.431 405 M N 4.148 123.669 119.600 -0.132 0.000 2.238 405 M HA 0.581 5.062 4.480 0.002 0.000 0.350 405 M C -0.907 175.418 176.300 0.043 0.000 1.138 405 M CA -0.443 54.770 55.300 -0.145 0.000 1.040 405 M CB 1.584 34.108 32.600 -0.126 0.000 1.639 405 M HN 0.658 nan 8.290 nan 0.000 0.451 406 Q N 5.271 125.078 119.800 0.013 0.000 2.325 406 Q HA 0.580 4.922 4.340 0.002 0.000 0.262 406 Q C -1.293 174.716 176.000 0.015 0.000 0.968 406 Q CA 0.097 55.926 55.803 0.044 0.000 0.877 406 Q CB 1.610 30.337 28.738 -0.019 0.000 1.253 406 Q HN 0.686 nan 8.270 nan 0.000 0.448 407 I N 4.081 124.693 120.570 0.070 0.000 2.382 407 I HA 0.361 4.532 4.170 0.002 0.000 0.286 407 I C -0.942 175.267 176.117 0.154 0.000 1.002 407 I CA -0.850 60.506 61.300 0.093 0.000 1.135 407 I CB 0.852 38.923 38.000 0.119 0.000 1.288 407 I HN 0.318 nan 8.210 nan 0.000 0.448 408 L N 6.104 127.350 121.223 0.037 0.000 2.332 408 L HA 0.535 4.876 4.340 0.002 0.000 0.269 408 L C -0.007 176.986 176.870 0.205 0.000 1.016 408 L CA -0.505 54.331 54.840 -0.007 0.000 0.809 408 L CB 1.166 42.949 42.059 -0.460 0.000 1.280 408 L HN 0.444 nan 8.230 nan 0.000 0.447 409 K N 1.245 121.675 120.400 0.051 0.000 2.182 409 K HA 0.674 4.996 4.320 0.002 0.000 0.262 409 K C -1.433 175.293 176.600 0.209 0.000 0.957 409 K CA -0.463 55.791 56.287 -0.056 0.000 0.842 409 K CB 1.251 33.426 32.500 -0.542 0.000 1.099 409 K HN 0.512 nan 8.250 nan 0.000 0.438 410 F N 0.988 120.984 119.950 0.077 0.000 2.685 410 F HA 0.476 5.004 4.527 0.002 0.000 0.315 410 F C 0.085 175.920 175.800 0.058 0.000 1.126 410 F CA -0.900 57.162 58.000 0.103 0.000 0.950 410 F CB 1.569 40.688 39.000 0.199 0.000 1.360 410 F HN 0.464 nan 8.300 nan 0.000 0.469 411 K N -0.235 120.192 120.400 0.046 0.000 2.353 411 K HA 0.239 4.561 4.320 0.002 0.000 0.206 411 K C 0.124 176.727 176.600 0.005 0.000 1.191 411 K CA 0.920 57.155 56.287 -0.086 0.000 0.897 411 K CB 0.478 32.980 32.500 0.002 0.000 1.283 411 K HN 0.899 nan 8.250 nan 0.000 0.477 412 T N -2.135 112.555 114.554 0.228 0.000 2.940 412 T HA 0.291 4.643 4.350 0.002 0.000 0.288 412 T C 1.033 175.939 174.700 0.343 0.000 1.033 412 T CA -0.863 61.362 62.100 0.208 0.000 1.033 412 T CB 1.525 70.464 68.868 0.118 0.000 1.079 412 T HN 0.159 nan 8.240 nan 0.000 0.496 413 I N 0.474 121.182 120.570 0.229 0.000 2.439 413 I HA -0.051 4.120 4.170 0.002 0.000 0.251 413 I C 2.106 178.345 176.117 0.204 0.000 1.139 413 I CA 1.282 62.713 61.300 0.219 0.000 1.438 413 I CB -0.014 38.035 38.000 0.081 0.000 1.085 413 I HN 0.784 nan 8.210 nan 0.000 0.427 414 E N 0.612 120.908 120.200 0.159 0.000 2.110 414 E HA -0.288 4.063 4.350 0.002 0.000 0.193 414 E C 1.957 178.608 176.600 0.085 0.000 0.988 414 E CA 1.435 57.929 56.400 0.156 0.000 0.804 414 E CB -0.171 29.595 29.700 0.110 0.000 0.745 414 E HN 0.558 nan 8.360 nan 0.000 0.458 415 E N 0.436 120.690 120.200 0.090 0.000 2.051 415 E HA -0.125 4.227 4.350 0.002 0.000 0.189 415 E C 2.101 178.665 176.600 -0.060 0.000 0.979 415 E CA 0.908 57.344 56.400 0.060 0.000 0.803 415 E CB -0.010 29.777 29.700 0.144 0.000 0.761 415 E HN 0.180 nan 8.360 nan 0.000 0.451 416 V N 0.711 120.509 119.914 -0.194 0.000 2.626 416 V HA -0.167 3.955 4.120 0.002 0.000 0.252 416 V C 2.266 178.061 176.094 -0.498 0.000 1.067 416 V CA 1.200 63.120 62.300 -0.634 0.000 1.081 416 V CB 0.066 31.058 31.823 -1.385 0.000 0.686 416 V HN 0.211 nan 8.190 nan 0.000 0.468 417 V N 0.687 120.447 119.914 -0.258 0.000 2.295 417 V HA -0.141 3.980 4.120 0.002 0.000 0.246 417 V C 2.690 178.678 176.094 -0.177 0.000 1.049 417 V CA 2.197 64.374 62.300 -0.205 0.000 1.024 417 V CB -1.404 30.345 31.823 -0.124 0.000 0.648 417 V HN 0.621 nan 8.190 nan 0.000 0.447 418 G N -0.242 108.487 108.800 -0.118 0.000 2.446 418 G HA2 -0.251 3.710 3.960 0.002 0.000 0.217 418 G HA3 -0.251 3.710 3.960 0.002 0.000 0.217 418 G C 1.748 176.596 174.900 -0.088 0.000 1.168 418 G CA 0.834 45.887 45.100 -0.078 0.000 0.771 418 G HN 0.449 nan 8.290 nan 0.000 0.551 419 R N 0.466 120.891 120.500 -0.124 0.000 2.075 419 R HA 0.125 4.466 4.340 0.002 0.000 0.232 419 R C 3.023 179.242 176.300 -0.135 0.000 1.126 419 R CA 1.060 57.112 56.100 -0.079 0.000 0.963 419 R CB -0.346 29.945 30.300 -0.016 0.000 0.858 419 R HN 0.346 nan 8.270 nan 0.000 0.435 420 A N 1.621 124.218 122.820 -0.372 0.000 1.873 420 A HA -0.143 4.178 4.320 0.002 0.000 0.215 420 A C 1.642 179.158 177.584 -0.114 0.000 1.186 420 A CA 1.421 53.261 52.037 -0.327 0.000 0.616 420 A CB -0.349 18.368 19.000 -0.471 0.000 0.823 420 A HN 0.227 nan 8.150 nan 0.000 0.442 421 N N 0.405 119.035 118.700 -0.116 0.000 2.494 421 N HA -0.070 4.671 4.740 0.002 0.000 0.182 421 N C 0.334 175.830 175.510 -0.023 0.000 1.076 421 N CA 0.355 53.369 53.050 -0.060 0.000 0.908 421 N CB -0.475 37.970 38.487 -0.070 0.000 0.967 421 N HN 0.396 nan 8.380 nan 0.000 0.449 422 N N 1.177 119.865 118.700 -0.020 0.000 2.819 422 N HA 0.017 4.758 4.740 0.002 0.000 0.284 422 N C -1.193 174.338 175.510 0.034 0.000 1.196 422 N CA 0.160 53.215 53.050 0.007 0.000 1.114 422 N CB -0.252 38.244 38.487 0.014 0.000 1.437 422 N HN -0.058 nan 8.380 nan 0.000 0.518 423 S N 0.111 115.828 115.700 0.028 0.000 2.565 423 S HA 0.341 4.812 4.470 0.002 0.000 0.269 423 S C 0.706 175.303 174.600 -0.005 0.000 1.153 423 S CA -0.564 57.662 58.200 0.043 0.000 0.835 423 S CB 0.659 63.921 63.200 0.103 0.000 1.122 423 S HN 0.269 nan 8.310 nan 0.000 0.462 424 T N 1.788 116.294 114.554 -0.081 0.000 3.043 424 T HA 0.209 4.560 4.350 0.002 0.000 0.263 424 T C -0.012 174.548 174.700 -0.233 0.000 1.094 424 T CA 1.052 63.026 62.100 -0.210 0.000 1.127 424 T CB -0.289 68.359 68.868 -0.366 0.000 0.905 424 T HN 0.536 nan 8.240 nan 0.000 0.490 425 Y N -0.112 120.210 120.300 0.037 0.000 2.480 425 Y HA 0.579 5.130 4.550 0.002 0.000 0.323 425 Y C 1.256 177.179 175.900 0.039 0.000 1.267 425 Y CA -0.908 57.217 58.100 0.041 0.000 1.336 425 Y CB 1.349 39.840 38.460 0.050 0.000 1.361 425 Y HN -0.016 nan 8.280 nan 0.000 0.518 426 G N 0.536 109.478 108.800 0.237 0.000 5.374 426 G HA2 0.121 4.082 3.960 0.002 0.000 0.198 426 G HA3 0.121 4.082 3.960 0.002 0.000 0.198 426 G C -0.262 174.659 174.900 0.036 0.000 0.812 426 G CA -0.245 44.916 45.100 0.103 0.000 0.614 426 G HN 0.532 nan 8.290 nan 0.000 0.357 427 L N 0.520 121.778 121.223 0.058 0.000 2.084 427 L HA 0.761 5.102 4.340 0.002 0.000 0.202 427 L C 1.229 178.088 176.870 -0.018 0.000 1.074 427 L CA 2.198 57.053 54.840 0.024 0.000 0.757 427 L CB 0.076 42.168 42.059 0.055 0.000 0.918 427 L HN 0.430 nan 8.230 nan 0.000 0.444 428 A N -2.088 120.731 122.820 -0.002 0.000 2.567 428 A HA 0.919 5.240 4.320 0.002 0.000 0.289 428 A C -1.394 176.156 177.584 -0.057 0.000 1.177 428 A CA -0.085 51.899 52.037 -0.088 0.000 0.694 428 A CB 0.986 20.026 19.000 0.068 0.000 1.292 428 A HN 0.473 nan 8.150 nan 0.000 0.425 429 A N -1.608 121.149 122.820 -0.105 0.000 2.544 429 A HA 0.963 5.284 4.320 0.002 0.000 0.291 429 A C -0.755 176.882 177.584 0.088 0.000 1.055 429 A CA 0.159 52.213 52.037 0.029 0.000 0.651 429 A CB 0.196 19.157 19.000 -0.066 0.000 1.296 429 A HN 2.713 nan 8.150 nan 0.000 0.431 430 A N -0.551 122.415 122.820 0.244 0.000 2.606 430 A HA 0.812 5.134 4.320 0.002 0.000 0.293 430 A C -1.593 176.163 177.584 0.288 0.000 1.082 430 A CA -0.343 51.896 52.037 0.337 0.000 0.685 430 A CB 1.418 20.846 19.000 0.714 0.000 1.284 430 A HN 1.942 nan 8.150 nan 0.000 0.408 431 V N 0.671 120.714 119.914 0.214 0.000 2.733 431 V HA 0.576 4.698 4.120 0.002 0.000 0.306 431 V C -1.642 174.527 176.094 0.125 0.000 1.084 431 V CA -0.285 62.139 62.300 0.208 0.000 0.905 431 V CB 1.656 33.543 31.823 0.106 0.000 1.010 431 V HN 0.726 nan 8.190 nan 0.000 0.424 432 F N 2.599 122.640 119.950 0.153 0.000 2.427 432 F HA 0.800 5.328 4.527 0.002 0.000 0.348 432 F C 0.333 176.221 175.800 0.148 0.000 1.125 432 F CA -0.168 57.930 58.000 0.163 0.000 0.989 432 F CB 2.087 41.175 39.000 0.148 0.000 1.165 432 F HN 0.550 nan 8.300 nan 0.000 0.442 433 T N 1.924 116.614 114.554 0.226 0.000 2.770 433 T HA 0.272 4.623 4.350 0.002 0.000 0.323 433 T C -0.071 174.705 174.700 0.128 0.000 1.683 433 T CA -0.709 61.496 62.100 0.174 0.000 1.024 433 T CB 1.416 70.370 68.868 0.142 0.000 1.557 433 T HN 0.635 nan 8.240 nan 0.000 0.494 434 K N 0.577 121.042 120.400 0.107 0.000 2.353 434 K HA 0.212 4.533 4.320 0.002 0.000 0.195 434 K C -0.232 176.402 176.600 0.057 0.000 1.031 434 K CA -0.139 56.195 56.287 0.078 0.000 1.079 434 K CB 0.302 32.846 32.500 0.073 0.000 0.857 434 K HN 0.482 nan 8.250 nan 0.000 0.535 435 D N 0.806 121.242 120.400 0.060 0.000 2.308 435 D HA 0.022 4.663 4.640 0.002 0.000 0.251 435 D C 0.777 177.104 176.300 0.044 0.000 1.127 435 D CA -0.292 53.735 54.000 0.046 0.000 0.876 435 D CB 1.106 41.931 40.800 0.043 0.000 1.176 435 D HN -0.159 nan 8.370 nan 0.000 0.446 436 L N 3.783 125.026 121.223 0.035 0.000 2.027 436 L HA -0.031 4.310 4.340 0.002 0.000 0.206 436 L C 1.225 178.120 176.870 0.043 0.000 1.074 436 L CA 1.833 56.693 54.840 0.033 0.000 0.745 436 L CB -0.446 41.628 42.059 0.025 0.000 0.898 436 L HN 0.480 nan 8.230 nan 0.000 0.433 437 D N -0.332 120.092 120.400 0.039 0.000 2.178 437 D HA -0.147 4.494 4.640 0.002 0.000 0.202 437 D C 2.160 178.508 176.300 0.080 0.000 0.974 437 D CA 1.108 55.138 54.000 0.050 0.000 0.841 437 D CB 0.013 40.825 40.800 0.020 0.000 0.953 437 D HN 0.378 nan 8.370 nan 0.000 0.478 438 K N 0.484 120.921 120.400 0.061 0.000 2.057 438 K HA 0.009 4.330 4.320 0.002 0.000 0.206 438 K C 2.104 178.790 176.600 0.144 0.000 1.050 438 K CA 1.068 57.412 56.287 0.095 0.000 0.935 438 K CB -0.032 32.512 32.500 0.073 0.000 0.715 438 K HN 0.014 nan 8.250 nan 0.000 0.439 439 A N 1.828 124.705 122.820 0.095 0.000 1.902 439 A HA -0.179 4.142 4.320 0.002 0.000 0.217 439 A C 1.840 179.461 177.584 0.061 0.000 1.181 439 A CA 1.604 53.682 52.037 0.069 0.000 0.623 439 A CB -0.412 18.613 19.000 0.042 0.000 0.818 439 A HN 0.206 nan 8.150 nan 0.000 0.443 440 N N -1.504 117.239 118.700 0.072 0.000 2.135 440 N HA -0.128 4.614 4.740 0.002 0.000 0.186 440 N C 1.641 177.195 175.510 0.075 0.000 1.027 440 N CA 1.572 54.656 53.050 0.056 0.000 0.849 440 N CB -0.681 37.839 38.487 0.054 0.000 1.002 440 N HN 0.631 nan 8.380 nan 0.000 0.425 441 Y N 1.983 122.280 120.300 -0.005 0.000 2.069 441 Y HA -0.196 4.355 4.550 0.002 0.000 0.278 441 Y C 2.201 178.089 175.900 -0.019 0.000 1.175 441 Y CA 1.692 59.787 58.100 -0.007 0.000 1.134 441 Y CB -0.509 37.952 38.460 0.002 0.000 0.965 441 Y HN -0.009 nan 8.280 nan 0.000 0.498 442 L N -0.172 121.087 121.223 0.059 0.000 2.072 442 L HA -0.174 4.168 4.340 0.002 0.000 0.205 442 L C 2.754 179.557 176.870 -0.113 0.000 1.079 442 L CA 1.499 56.299 54.840 -0.067 0.000 0.752 442 L CB -0.982 41.120 42.059 0.071 0.000 0.906 442 L HN 0.439 nan 8.230 nan 0.000 0.436 443 S N -0.821 114.841 115.700 -0.063 0.000 2.419 443 S HA -0.303 4.168 4.470 0.002 0.000 0.235 443 S C 1.854 176.384 174.600 -0.117 0.000 1.019 443 S CA 1.536 59.684 58.200 -0.087 0.000 0.982 443 S CB -0.296 62.868 63.200 -0.059 0.000 0.789 443 S HN 0.523 nan 8.310 nan 0.000 0.490 444 Q N 0.724 120.449 119.800 -0.124 0.000 2.165 444 Q HA 0.252 4.593 4.340 0.002 0.000 0.197 444 Q C 2.169 178.076 176.000 -0.156 0.000 0.952 444 Q CA 0.778 56.508 55.803 -0.123 0.000 0.848 444 Q CB -0.333 28.344 28.738 -0.102 0.000 0.931 444 Q HN 0.678 nan 8.270 nan 0.000 0.470 445 A N 0.585 123.261 122.820 -0.239 0.000 2.167 445 A HA 0.133 4.454 4.320 0.002 0.000 0.214 445 A C 0.769 178.236 177.584 -0.195 0.000 1.151 445 A CA 0.048 51.934 52.037 -0.252 0.000 0.735 445 A CB -0.181 18.558 19.000 -0.434 0.000 0.802 445 A HN 0.326 nan 8.150 nan 0.000 0.467 446 L N 0.794 121.904 121.223 -0.189 0.000 2.313 446 L HA 0.125 4.466 4.340 0.002 0.000 0.282 446 L C 0.125 176.877 176.870 -0.195 0.000 1.092 446 L CA -0.252 54.481 54.840 -0.179 0.000 0.831 446 L CB 0.822 42.776 42.059 -0.174 0.000 1.159 446 L HN 0.322 nan 8.230 nan 0.000 0.442 447 Q N 3.553 123.259 119.800 -0.156 0.000 3.184 447 Q HA 0.395 4.736 4.340 0.002 0.000 0.288 447 Q C -0.238 175.544 176.000 -0.364 0.000 1.412 447 Q CA -0.222 55.497 55.803 -0.139 0.000 0.991 447 Q CB 0.418 29.168 28.738 0.020 0.000 1.688 447 Q HN 0.678 nan 8.270 nan 0.000 0.554 448 A N -0.681 121.722 122.820 -0.695 0.000 2.475 448 A HA 0.670 4.991 4.320 0.002 0.000 0.301 448 A C 0.960 177.867 177.584 -1.129 0.000 1.059 448 A CA -0.494 51.091 52.037 -0.753 0.000 0.710 448 A CB 1.259 20.036 19.000 -0.372 0.000 1.288 448 A HN 0.492 nan 8.150 nan 0.000 0.408 449 G N -0.018 108.303 108.800 -0.798 0.000 2.471 449 G HA2 0.290 4.251 3.960 0.002 0.000 0.219 449 G HA3 0.290 4.251 3.960 0.002 0.000 0.219 449 G C 0.441 175.151 174.900 -0.316 0.000 1.125 449 G CA 1.561 46.434 45.100 -0.378 0.000 0.775 449 G HN 0.803 nan 8.290 nan 0.000 0.548 450 T N -0.269 114.037 114.554 -0.413 0.000 3.011 450 T HA 0.471 4.822 4.350 0.002 0.000 0.303 450 T C -1.123 173.158 174.700 -0.698 0.000 0.997 450 T CA -0.402 61.353 62.100 -0.576 0.000 1.007 450 T CB 2.584 71.025 68.868 -0.712 0.000 1.017 450 T HN -0.106 nan 8.240 nan 0.000 0.443 451 V N 3.920 123.458 119.914 -0.626 0.000 2.378 451 V HA 0.482 4.603 4.120 0.002 0.000 0.288 451 V C -0.652 175.169 176.094 -0.456 0.000 1.016 451 V CA -1.004 61.019 62.300 -0.461 0.000 0.840 451 V CB 1.351 33.012 31.823 -0.271 0.000 0.994 451 V HN 0.758 nan 8.190 nan 0.000 0.431 452 W N 3.446 124.612 121.300 -0.222 0.000 2.417 452 W HA 0.636 5.297 4.660 0.002 0.000 0.317 452 W C -0.604 175.804 176.519 -0.186 0.000 1.121 452 W CA -0.693 56.520 57.345 -0.219 0.000 1.208 452 W CB 1.950 31.243 29.460 -0.278 0.000 1.253 452 W HN 0.271 nan 8.180 nan 0.000 0.533 453 V N 4.781 124.713 119.914 0.030 0.000 2.350 453 V HA 0.124 4.245 4.120 0.002 0.000 0.285 453 V C 0.152 176.105 176.094 -0.236 0.000 1.014 453 V CA -0.879 61.352 62.300 -0.114 0.000 0.831 453 V CB 0.992 32.781 31.823 -0.056 0.000 1.000 453 V HN 0.674 nan 8.190 nan 0.000 0.433 454 N N 2.187 120.463 118.700 -0.707 0.000 2.747 454 N HA -0.171 4.570 4.740 0.002 0.000 0.249 454 N C -0.310 175.099 175.510 -0.169 0.000 1.107 454 N CA 1.259 53.867 53.050 -0.737 0.000 0.707 454 N CB -1.107 37.350 38.487 -0.050 0.000 1.054 454 N HN 1.068 nan 8.380 nan 0.000 0.555 455 C N -4.300 114.811 119.300 -0.315 0.000 3.259 455 C HA 0.791 5.253 4.460 0.002 0.000 0.344 455 C C -1.097 173.948 174.990 0.091 0.000 1.401 455 C CA -1.386 57.708 59.018 0.126 0.000 1.219 455 C CB 1.732 29.552 27.740 0.134 0.000 1.521 455 C HN 0.266 nan 8.230 nan 0.000 0.455 456 Y N -0.189 119.901 120.300 -0.350 0.000 2.592 456 Y HA 0.467 5.018 4.550 0.002 0.000 0.334 456 Y C -0.049 175.132 175.900 -1.199 0.000 1.136 456 Y CA 0.391 57.982 58.100 -0.849 0.000 1.042 456 Y CB 1.403 39.726 38.460 -0.229 0.000 1.325 456 Y HN 1.023 nan 8.280 nan 0.000 0.457 457 D N 1.601 120.744 120.400 -2.096 0.000 2.882 457 D HA -0.150 4.491 4.640 0.002 0.000 0.229 457 D C -0.813 175.179 176.300 -0.513 0.000 1.167 457 D CA 0.987 54.464 54.000 -0.872 0.000 0.759 457 D CB -0.946 39.857 40.800 0.005 0.000 1.088 457 D HN 0.148 nan 8.370 nan 0.000 0.425 458 V N 1.495 120.895 119.914 -0.857 0.000 2.356 458 V HA 0.215 4.336 4.120 0.002 0.000 0.258 458 V C 0.456 176.534 176.094 -0.028 0.000 1.065 458 V CA -0.044 62.151 62.300 -0.174 0.000 0.935 458 V CB -0.250 31.533 31.823 -0.067 0.000 1.061 458 V HN -0.029 nan 8.190 nan 0.000 0.484 459 F N 2.593 122.608 119.950 0.109 0.000 2.443 459 F HA 0.743 5.271 4.527 0.002 0.000 0.335 459 F C 0.848 176.662 175.800 0.023 0.000 1.104 459 F CA -0.544 57.495 58.000 0.066 0.000 1.013 459 F CB 1.875 40.891 39.000 0.026 0.000 1.136 459 F HN 0.466 nan 8.300 nan 0.000 0.470 460 G N 0.624 109.507 108.800 0.137 0.000 2.461 460 G HA2 0.511 4.473 3.960 0.002 0.000 0.323 460 G HA3 0.511 4.473 3.960 0.002 0.000 0.323 460 G C 0.420 175.277 174.900 -0.072 0.000 1.229 460 G CA -0.405 44.712 45.100 0.028 0.000 0.941 460 G HN 0.899 nan 8.290 nan 0.000 0.477 461 A N 1.824 124.544 122.820 -0.167 0.000 1.986 461 A HA -0.138 4.183 4.320 0.002 0.000 0.220 461 A C 2.238 179.306 177.584 -0.859 0.000 1.171 461 A CA 1.979 53.787 52.037 -0.382 0.000 0.640 461 A CB -0.208 18.588 19.000 -0.339 0.000 0.811 461 A HN 0.684 nan 8.150 nan 0.000 0.451 462 Q N -0.342 118.938 119.800 -0.866 0.000 2.488 462 Q HA 0.086 4.427 4.340 0.002 0.000 0.211 462 Q C 0.170 176.100 176.000 -0.116 0.000 0.967 462 Q CA 0.808 56.252 55.803 -0.599 0.000 0.926 462 Q CB -0.456 28.174 28.738 -0.180 0.000 0.992 462 Q HN 0.379 nan 8.270 nan 0.000 0.506 463 S N 3.375 119.018 115.700 -0.096 0.000 2.442 463 S HA 0.435 4.906 4.470 0.002 0.000 0.297 463 S C -2.391 172.246 174.600 0.062 0.000 1.131 463 S CA -1.480 56.736 58.200 0.026 0.000 1.092 463 S CB 1.477 64.683 63.200 0.010 0.000 0.998 463 S HN 0.150 nan 8.310 nan 0.000 0.478 464 P HA 0.231 nan 4.420 nan 0.000 0.272 464 P C -0.943 176.451 177.300 0.157 0.000 1.240 464 P CA -0.336 62.850 63.100 0.145 0.000 0.791 464 P CB 0.368 32.147 31.700 0.132 0.000 0.978 465 F N 0.891 120.803 119.950 -0.064 0.000 2.949 465 F HA 0.595 5.124 4.527 0.002 0.000 0.376 465 F C -0.495 175.288 175.800 -0.028 0.000 1.205 465 F CA -0.585 57.403 58.000 -0.021 0.000 1.155 465 F CB 0.805 39.792 39.000 -0.022 0.000 1.495 465 F HN 0.419 nan 8.300 nan 0.000 0.551 466 G N 1.298 110.039 108.800 -0.097 0.000 2.730 466 G HA2 0.679 4.641 3.960 0.002 0.000 0.289 466 G HA3 0.679 4.641 3.960 0.002 0.000 0.289 466 G C -1.140 173.684 174.900 -0.126 0.000 1.341 466 G CA -0.684 44.307 45.100 -0.182 0.000 0.932 466 G HN 0.873 nan 8.290 nan 0.000 0.481 467 G N -1.523 107.244 108.800 -0.055 0.000 2.574 467 G HA2 0.577 4.538 3.960 0.002 0.000 0.299 467 G HA3 0.577 4.538 3.960 0.002 0.000 0.299 467 G C -1.598 173.451 174.900 0.249 0.000 1.298 467 G CA -0.523 44.613 45.100 0.059 0.000 0.952 467 G HN 0.339 nan 8.290 nan 0.000 0.477 468 Y N 0.607 120.878 120.300 -0.047 0.000 2.458 468 Y HA 0.465 5.017 4.550 0.002 0.000 0.322 468 Y C 1.539 177.433 175.900 -0.009 0.000 1.259 468 Y CA -1.085 56.992 58.100 -0.038 0.000 1.302 468 Y CB 1.146 39.581 38.460 -0.042 0.000 1.314 468 Y HN 0.854 nan 8.280 nan 0.000 0.509 469 K N -0.543 119.924 120.400 0.111 0.000 1.824 469 K HA -0.321 4.000 4.320 0.002 0.000 0.120 469 K C 0.686 177.309 176.600 0.038 0.000 1.268 469 K CA 1.933 58.250 56.287 0.049 0.000 0.420 469 K CB -1.093 31.442 32.500 0.058 0.000 0.586 469 K HN 0.599 nan 8.250 nan 0.000 0.907 470 M N 1.122 120.740 119.600 0.031 0.000 2.581 470 M HA 0.035 4.517 4.480 0.002 0.000 0.224 470 M C 0.756 177.156 176.300 0.166 0.000 1.171 470 M CA 0.529 55.849 55.300 0.032 0.000 0.993 470 M CB 0.134 32.679 32.600 -0.092 0.000 1.685 470 M HN 0.308 nan 8.290 nan 0.000 0.479 471 S N 0.429 116.245 115.700 0.194 0.000 2.593 471 S HA 0.313 4.784 4.470 0.002 0.000 0.217 471 S C 0.844 175.489 174.600 0.076 0.000 0.966 471 S CA 0.434 58.756 58.200 0.203 0.000 0.914 471 S CB 0.043 63.344 63.200 0.169 0.000 0.776 471 S HN 0.804 nan 8.310 nan 0.000 0.523 472 G N 1.038 109.872 108.800 0.058 0.000 2.603 472 G HA2 -0.079 3.882 3.960 0.002 0.000 0.686 472 G HA3 -0.079 3.882 3.960 0.002 0.000 0.686 472 G C -0.525 174.363 174.900 -0.020 0.000 1.286 472 G CA -0.584 44.523 45.100 0.012 0.000 0.871 472 G HN 0.541 nan 8.290 nan 0.000 0.568 473 S N -0.492 115.185 115.700 -0.039 0.000 2.704 473 S HA 0.999 5.470 4.470 0.002 0.000 0.305 473 S C 0.970 175.522 174.600 -0.080 0.000 1.107 473 S CA 0.537 58.701 58.200 -0.061 0.000 0.993 473 S CB 1.327 64.493 63.200 -0.058 0.000 1.110 473 S HN 2.879 nan 8.310 nan 0.000 0.534 474 G N 0.694 109.441 108.800 -0.088 0.000 2.894 474 G HA2 -0.019 3.942 3.960 0.002 0.000 0.247 474 G HA3 -0.019 3.942 3.960 0.002 0.000 0.247 474 G C -1.256 173.585 174.900 -0.098 0.000 1.442 474 G CA -0.162 44.884 45.100 -0.090 0.000 0.897 474 G HN 0.897 nan 8.290 nan 0.000 0.550 475 Q N -0.483 119.271 119.800 -0.077 0.000 2.484 475 Q HA 0.731 5.072 4.340 0.002 0.000 0.285 475 Q C -0.500 175.483 176.000 -0.029 0.000 1.097 475 Q CA -0.770 54.989 55.803 -0.074 0.000 0.802 475 Q CB 2.109 30.803 28.738 -0.073 0.000 1.444 475 Q HN 0.696 nan 8.270 nan 0.000 0.429 476 E N 0.988 121.174 120.200 -0.023 0.000 2.212 476 E HA 0.700 5.051 4.350 0.002 0.000 0.268 476 E C -0.877 175.649 176.600 -0.124 0.000 0.902 476 E CA -0.660 55.685 56.400 -0.092 0.000 0.779 476 E CB 1.466 31.038 29.700 -0.213 0.000 1.172 476 E HN 0.489 nan 8.360 nan 0.000 0.409 477 L N 0.475 121.657 121.223 -0.068 0.000 0.636 477 L HA -0.250 4.092 4.340 0.002 0.000 0.356 477 L C 0.615 177.602 176.870 0.195 0.000 0.982 477 L CA 0.770 55.654 54.840 0.072 0.000 1.223 477 L CB -1.335 40.603 42.059 -0.201 0.000 0.091 477 L HN 0.987 nan 8.230 nan 0.000 0.099 478 G N -0.192 108.687 108.800 0.131 0.000 2.750 478 G HA2 -0.248 3.713 3.960 0.002 0.000 0.228 478 G HA3 -0.248 3.713 3.960 0.002 0.000 0.228 478 G C 0.249 175.298 174.900 0.248 0.000 1.367 478 G CA 0.832 46.085 45.100 0.255 0.000 0.871 478 G HN 1.204 nan 8.290 nan 0.000 0.560 479 E N -0.967 119.261 120.200 0.046 0.000 2.299 479 E HA 0.013 4.364 4.350 0.002 0.000 0.193 479 E C 2.012 178.374 176.600 -0.397 0.000 0.998 479 E CA 1.133 57.247 56.400 -0.476 0.000 0.851 479 E CB -0.073 29.327 29.700 -0.500 0.000 0.795 479 E HN 0.646 nan 8.360 nan 0.000 0.492 480 Y N -0.166 120.099 120.300 -0.059 0.000 2.403 480 Y HA 0.003 4.554 4.550 0.002 0.000 0.291 480 Y C 2.406 178.272 175.900 -0.057 0.000 1.143 480 Y CA 0.874 58.947 58.100 -0.044 0.000 1.257 480 Y CB -0.563 37.891 38.460 -0.010 0.000 0.984 480 Y HN 0.139 nan 8.280 nan 0.000 0.550 481 G N 0.074 108.952 108.800 0.130 0.000 2.470 481 G HA2 -0.166 3.795 3.960 0.002 0.000 0.220 481 G HA3 -0.166 3.795 3.960 0.002 0.000 0.220 481 G C 1.488 176.410 174.900 0.037 0.000 1.121 481 G CA 0.664 45.843 45.100 0.131 0.000 0.766 481 G HN 0.412 nan 8.290 nan 0.000 0.553 482 L N -0.575 120.535 121.223 -0.189 0.000 2.418 482 L HA 0.050 4.391 4.340 0.002 0.000 0.218 482 L C 2.925 179.625 176.870 -0.282 0.000 1.125 482 L CA 0.385 54.961 54.840 -0.439 0.000 0.835 482 L CB -0.199 41.071 42.059 -1.315 0.000 0.953 482 L HN 0.231 nan 8.230 nan 0.000 0.454 483 Q N 0.244 119.967 119.800 -0.128 0.000 2.046 483 Q HA -0.140 4.201 4.340 0.002 0.000 0.200 483 Q C 2.421 178.373 176.000 -0.081 0.000 0.975 483 Q CA 1.720 57.507 55.803 -0.027 0.000 0.836 483 Q CB -0.249 28.495 28.738 0.009 0.000 0.896 483 Q HN 0.525 nan 8.270 nan 0.000 0.428 484 A N -0.479 122.249 122.820 -0.153 0.000 2.125 484 A HA -0.134 4.187 4.320 0.002 0.000 0.219 484 A C 0.740 178.026 177.584 -0.496 0.000 1.156 484 A CA 0.970 52.804 52.037 -0.337 0.000 0.671 484 A CB -0.301 18.425 19.000 -0.457 0.000 0.794 484 A HN 0.456 nan 8.150 nan 0.000 0.459 485 Y N -0.840 119.423 120.300 -0.062 0.000 2.681 485 Y HA 0.261 4.812 4.550 0.002 0.000 0.267 485 Y C 0.373 176.269 175.900 -0.006 0.000 1.166 485 Y CA -0.167 57.908 58.100 -0.041 0.000 1.209 485 Y CB 0.693 39.119 38.460 -0.057 0.000 1.161 485 Y HN 0.058 nan 8.280 nan 0.000 0.534 486 T N 0.290 114.890 114.554 0.077 0.000 2.876 486 T HA 0.342 4.694 4.350 0.002 0.000 0.289 486 T C -1.104 173.614 174.700 0.031 0.000 1.014 486 T CA -0.621 61.536 62.100 0.096 0.000 0.986 486 T CB 1.876 70.827 68.868 0.138 0.000 1.021 486 T HN -0.088 nan 8.240 nan 0.000 0.458 487 E N 1.932 122.171 120.200 0.065 0.000 2.151 487 E HA 0.500 4.851 4.350 0.002 0.000 0.275 487 E C -1.058 175.575 176.600 0.054 0.000 0.936 487 E CA -0.591 55.836 56.400 0.045 0.000 0.777 487 E CB 1.057 30.801 29.700 0.073 0.000 1.108 487 E HN 0.320 nan 8.360 nan 0.000 0.401 488 V N 5.304 125.231 119.914 0.021 0.000 2.385 488 V HA 0.294 4.415 4.120 0.002 0.000 0.269 488 V C 0.242 176.360 176.094 0.040 0.000 1.043 488 V CA -0.613 61.731 62.300 0.073 0.000 0.906 488 V CB 0.842 32.694 31.823 0.048 0.000 0.995 488 V HN 0.513 nan 8.190 nan 0.000 0.467 489 K N 3.506 123.931 120.400 0.041 0.000 2.235 489 K HA 0.485 4.806 4.320 0.002 0.000 0.266 489 K C -0.441 176.095 176.600 -0.107 0.000 0.980 489 K CA -0.325 55.946 56.287 -0.027 0.000 0.849 489 K CB 1.225 33.716 32.500 -0.016 0.000 1.098 489 K HN 0.674 nan 8.250 nan 0.000 0.445 490 T N 3.237 117.705 114.554 -0.144 0.000 2.767 490 T HA 0.282 4.633 4.350 0.002 0.000 0.288 490 T C -0.727 173.767 174.700 -0.343 0.000 0.963 490 T CA -0.562 61.395 62.100 -0.237 0.000 1.019 490 T CB 1.161 69.924 68.868 -0.174 0.000 0.923 490 T HN 0.314 nan 8.240 nan 0.000 0.468 491 V N 4.149 123.688 119.914 -0.626 0.000 2.378 491 V HA 0.450 4.571 4.120 0.002 0.000 0.288 491 V C 0.109 175.846 176.094 -0.595 0.000 1.016 491 V CA -0.724 61.171 62.300 -0.675 0.000 0.840 491 V CB 1.687 32.907 31.823 -1.004 0.000 0.994 491 V HN 0.948 nan 8.190 nan 0.000 0.431 492 T N 4.698 119.074 114.554 -0.296 0.000 2.833 492 T HA 0.547 4.898 4.350 0.002 0.000 0.297 492 T C -0.359 174.342 174.700 0.002 0.000 1.015 492 T CA -0.350 61.650 62.100 -0.166 0.000 0.963 492 T CB 1.353 70.106 68.868 -0.192 0.000 0.955 492 T HN 0.350 nan 8.240 nan 0.000 0.449 493 V N 3.751 123.742 119.914 0.127 0.000 2.459 493 V HA 0.455 4.576 4.120 0.002 0.000 0.295 493 V C 0.472 176.773 176.094 0.344 0.000 1.029 493 V CA -1.196 61.244 62.300 0.234 0.000 0.874 493 V CB 1.708 33.697 31.823 0.276 0.000 0.985 493 V HN 0.714 nan 8.190 nan 0.000 0.438 494 K N 3.559 124.136 120.400 0.296 0.000 2.412 494 K HA 0.402 4.724 4.320 0.002 0.000 0.281 494 K C -0.488 176.140 176.600 0.045 0.000 1.027 494 K CA -0.098 56.269 56.287 0.134 0.000 0.989 494 K CB 0.972 33.524 32.500 0.085 0.000 0.935 494 K HN 0.717 nan 8.250 nan 0.000 0.475 495 V N 2.265 122.146 119.914 -0.055 0.000 2.864 495 V HA 0.372 4.494 4.120 0.002 0.000 0.314 495 V C -2.105 173.939 176.094 -0.084 0.000 1.073 495 V CA -1.983 60.300 62.300 -0.028 0.000 0.956 495 V CB 1.355 33.183 31.823 0.008 0.000 1.023 495 V HN 0.637 nan 8.190 nan 0.000 0.435 496 P HA -0.132 nan 4.420 nan 0.000 0.214 496 P C 0.075 177.331 177.300 -0.073 0.000 1.169 496 P CA 1.505 64.569 63.100 -0.059 0.000 0.908 496 P CB 0.127 31.802 31.700 -0.042 0.000 0.791 497 Q N -1.318 118.442 119.800 -0.066 0.000 2.331 497 Q HA 0.187 4.529 4.340 0.002 0.000 0.249 497 Q C -1.090 174.878 176.000 -0.053 0.000 0.913 497 Q CA -0.745 55.020 55.803 -0.064 0.000 0.874 497 Q CB 1.273 29.982 28.738 -0.049 0.000 1.384 497 Q HN -0.159 nan 8.270 nan 0.000 0.427 498 K N 3.432 123.801 120.400 -0.051 0.000 2.270 498 K HA 0.300 4.621 4.320 0.002 0.000 0.276 498 K C -0.941 175.649 176.600 -0.017 0.000 1.023 498 K CA 0.020 56.293 56.287 -0.024 0.000 0.955 498 K CB 0.635 33.135 32.500 -0.001 0.000 0.975 498 K HN 0.632 nan 8.250 nan 0.000 0.471 499 N N 1.185 119.875 118.700 -0.015 0.000 2.284 499 N HA 0.106 4.847 4.740 0.002 0.000 0.289 499 N C -0.822 174.684 175.510 -0.007 0.000 1.179 499 N CA -0.529 52.514 53.050 -0.013 0.000 0.774 499 N CB 1.953 40.426 38.487 -0.022 0.000 1.548 499 N HN 0.735 nan 8.380 nan 0.000 0.473 500 S N 0.000 115.699 115.700 -0.002 0.000 2.498 500 S HA 0.000 4.471 4.470 0.002 0.000 0.327 500 S CA 0.000 58.201 58.200 0.001 0.000 1.107 500 S CB 0.000 63.202 63.200 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517