REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2onm_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.565 177.584 -0.032 0.000 1.274 7 A CA 0.000 52.044 52.037 0.013 0.000 0.836 7 A CB 0.000 19.025 19.000 0.041 0.000 0.831 8 V N 1.490 121.353 119.914 -0.085 0.000 2.409 8 V HA 0.485 4.653 4.120 0.081 0.000 0.291 8 V C -2.101 173.891 176.094 -0.170 0.000 1.020 8 V CA -1.494 60.651 62.300 -0.259 0.000 0.848 8 V CB 1.324 33.017 31.823 -0.218 0.000 0.990 8 V HN 0.533 nan 8.190 nan 0.000 0.430 9 P HA 0.285 nan 4.420 nan 0.000 0.269 9 P C -0.231 177.088 177.300 0.032 0.000 1.215 9 P CA -0.142 62.919 63.100 -0.065 0.000 0.780 9 P CB 0.470 32.146 31.700 -0.040 0.000 0.898 10 A N 3.735 126.560 122.820 0.008 0.000 2.492 10 A HA 0.335 4.704 4.320 0.081 0.000 0.254 10 A C -1.673 175.846 177.584 -0.109 0.000 1.091 10 A CA -0.728 51.288 52.037 -0.036 0.000 0.768 10 A CB -1.008 17.967 19.000 -0.042 0.000 1.028 10 A HN 0.431 nan 8.150 nan 0.000 0.498 11 P HA 0.163 nan 4.420 nan 0.000 0.279 11 P C -0.864 176.211 177.300 -0.375 0.000 1.252 11 P CA -0.691 62.093 63.100 -0.527 0.000 0.811 11 P CB 0.806 31.773 31.700 -1.221 0.000 1.035 12 N N 1.539 120.062 118.700 -0.295 0.000 2.558 12 N HA 0.031 4.820 4.740 0.081 0.000 0.233 12 N C 0.843 176.048 175.510 -0.509 0.000 1.038 12 N CA 0.024 52.914 53.050 -0.267 0.000 0.934 12 N CB 0.271 38.705 38.487 -0.087 0.000 1.175 12 N HN 0.238 nan 8.380 nan 0.000 0.512 13 Q N 1.583 120.918 119.800 -0.776 0.000 2.508 13 Q HA -0.082 4.306 4.340 0.081 0.000 0.214 13 Q C -0.220 175.350 176.000 -0.718 0.000 0.979 13 Q CA 0.949 55.919 55.803 -1.388 0.000 0.911 13 Q CB 0.181 28.309 28.738 -1.018 0.000 0.969 13 Q HN 0.642 nan 8.270 nan 0.000 0.504 14 Q N 0.682 120.260 119.800 -0.370 0.000 3.394 14 Q HA 0.215 4.603 4.340 0.081 0.000 0.285 14 Q C -2.488 173.448 176.000 -0.107 0.000 0.866 14 Q CA -1.397 54.299 55.803 -0.177 0.000 0.844 14 Q CB 1.497 30.148 28.738 -0.144 0.000 1.472 14 Q HN 0.116 nan 8.270 nan 0.000 0.401 15 P HA -0.053 nan 4.420 nan 0.000 0.268 15 P C -0.360 176.944 177.300 0.006 0.000 1.205 15 P CA 0.106 63.222 63.100 0.027 0.000 0.771 15 P CB 1.042 32.724 31.700 -0.030 0.000 0.858 16 E N 1.486 121.699 120.200 0.023 0.000 2.366 16 E HA 0.234 4.633 4.350 0.081 0.000 0.266 16 E C -0.833 175.567 176.600 -0.334 0.000 1.051 16 E CA -0.683 55.574 56.400 -0.239 0.000 0.884 16 E CB 0.770 30.210 29.700 -0.432 0.000 1.006 16 E HN 0.149 nan 8.360 nan 0.000 0.417 17 V N 5.684 125.352 119.914 -0.410 0.000 2.370 17 V HA 0.144 4.312 4.120 0.081 0.000 0.283 17 V C -0.076 175.737 176.094 -0.468 0.000 1.023 17 V CA -0.164 61.964 62.300 -0.287 0.000 0.857 17 V CB 0.931 32.659 31.823 -0.158 0.000 0.985 17 V HN 0.705 nan 8.190 nan 0.000 0.443 18 F N 1.771 121.727 119.950 0.012 0.000 2.622 18 F HA 0.234 4.809 4.527 0.081 0.000 0.288 18 F C 1.000 176.697 175.800 -0.172 0.000 1.120 18 F CA -0.073 57.906 58.000 -0.036 0.000 1.423 18 F CB 0.275 39.305 39.000 0.051 0.000 1.127 18 F HN 0.366 nan 8.300 nan 0.000 0.588 19 C N 2.097 121.386 119.300 -0.018 0.000 2.340 19 C HA 0.454 4.963 4.460 0.081 0.000 0.323 19 C C 0.405 175.205 174.990 -0.317 0.000 1.260 19 C CA -0.810 57.944 59.018 -0.438 0.000 1.464 19 C CB 0.326 27.816 27.740 -0.417 0.000 2.156 19 C HN 0.544 nan 8.230 nan 0.000 0.476 20 N N 0.996 119.470 118.700 -0.376 0.000 2.193 20 N HA 0.055 4.843 4.740 0.081 0.000 0.236 20 N C -0.388 175.066 175.510 -0.094 0.000 1.347 20 N CA -0.283 52.656 53.050 -0.185 0.000 0.812 20 N CB -0.002 38.381 38.487 -0.173 0.000 1.297 20 N HN 0.782 nan 8.380 nan 0.000 0.499 21 Q N -0.058 119.713 119.800 -0.048 0.000 2.852 21 Q HA 0.581 4.970 4.340 0.081 0.000 0.262 21 Q C -0.472 175.821 176.000 0.488 0.000 1.051 21 Q CA -0.993 54.941 55.803 0.218 0.000 0.894 21 Q CB 1.785 30.696 28.738 0.287 0.000 1.381 21 Q HN 0.102 nan 8.270 nan 0.000 0.501 22 I N 1.176 122.020 120.570 0.456 0.000 2.365 22 I HA 0.180 4.398 4.170 0.081 0.000 0.291 22 I C -0.833 175.484 176.117 0.333 0.000 1.004 22 I CA -0.233 61.282 61.300 0.358 0.000 1.311 22 I CB 0.513 38.632 38.000 0.199 0.000 1.401 22 I HN 0.371 nan 8.210 nan 0.000 0.491 23 F N 8.244 128.175 119.950 -0.033 0.000 2.334 23 F HA 0.583 5.158 4.527 0.080 0.000 0.367 23 F C -0.451 175.134 175.800 -0.357 0.000 1.115 23 F CA -0.375 57.364 58.000 -0.435 0.000 1.116 23 F CB 0.312 38.946 39.000 -0.611 0.000 1.230 23 F HN 0.179 nan 8.300 nan 0.000 0.484 24 I N 5.484 125.596 120.570 -0.764 0.000 2.569 24 I HA 0.205 4.423 4.170 0.081 0.000 0.290 24 I C -0.365 175.311 176.117 -0.736 0.000 1.088 24 I CA -1.057 59.863 61.300 -0.633 0.000 1.047 24 I CB 1.834 39.534 38.000 -0.500 0.000 1.237 24 I HN 0.460 nan 8.210 nan 0.000 0.421 25 N N 4.626 122.985 118.700 -0.568 0.000 2.727 25 N HA -0.244 4.544 4.740 0.081 0.000 0.249 25 N C 0.041 175.224 175.510 -0.544 0.000 1.048 25 N CA 1.274 54.064 53.050 -0.434 0.000 0.714 25 N CB -1.113 37.210 38.487 -0.274 0.000 0.959 25 N HN 0.936 nan 8.380 nan 0.000 0.544 26 N N -1.477 116.654 118.700 -0.948 0.000 2.714 26 N HA -0.243 4.546 4.740 0.081 0.000 0.250 26 N C -0.944 174.099 175.510 -0.779 0.000 1.117 26 N CA 1.201 53.683 53.050 -0.947 0.000 0.719 26 N CB -0.397 37.903 38.487 -0.312 0.000 1.081 26 N HN 0.606 nan 8.380 nan 0.000 0.557 27 E N -0.801 118.869 120.200 -0.883 0.000 2.317 27 E HA 0.342 4.741 4.350 0.081 0.000 0.270 27 E C -1.030 175.343 176.600 -0.379 0.000 0.885 27 E CA -0.685 55.468 56.400 -0.412 0.000 0.760 27 E CB 1.177 30.842 29.700 -0.058 0.000 1.227 27 E HN 0.135 nan 8.360 nan 0.000 0.434 28 W N 1.875 123.265 121.300 0.150 0.000 2.338 28 W HA 0.314 5.023 4.660 0.081 0.000 0.307 28 W C 0.403 177.137 176.519 0.359 0.000 1.167 28 W CA -0.225 57.252 57.345 0.220 0.000 1.208 28 W CB 0.735 30.313 29.460 0.197 0.000 1.228 28 W HN 0.319 nan 8.180 nan 0.000 0.499 29 H N 1.496 120.736 119.070 0.284 0.000 2.747 29 H HA 0.215 4.820 4.556 0.082 0.000 0.371 29 H C -0.716 174.709 175.328 0.161 0.000 1.161 29 H CA -1.276 54.868 56.048 0.160 0.000 1.167 29 H CB 2.190 32.000 29.762 0.080 0.000 1.732 29 H HN 0.201 nan 8.280 nan 0.000 0.544 30 D N 0.630 121.157 120.400 0.211 0.000 2.312 30 D HA 0.280 4.968 4.640 0.081 0.000 0.248 30 D C 0.117 176.503 176.300 0.144 0.000 1.086 30 D CA -0.424 53.663 54.000 0.145 0.000 0.948 30 D CB 1.245 42.095 40.800 0.083 0.000 1.162 30 D HN 0.599 nan 8.370 nan 0.000 0.446 31 A N 0.739 123.630 122.820 0.118 0.000 2.466 31 A HA 0.093 4.461 4.320 0.081 0.000 0.238 31 A C 1.554 179.190 177.584 0.086 0.000 1.074 31 A CA -0.396 51.703 52.037 0.103 0.000 0.774 31 A CB 0.253 19.307 19.000 0.090 0.000 1.015 31 A HN 0.420 nan 8.150 nan 0.000 0.498 32 V N 2.237 122.199 119.914 0.080 0.000 2.392 32 V HA -0.256 3.912 4.120 0.081 0.000 0.249 32 V C 2.701 178.828 176.094 0.055 0.000 1.059 32 V CA 2.750 65.090 62.300 0.066 0.000 1.051 32 V CB -0.998 30.862 31.823 0.061 0.000 0.658 32 V HN 1.129 nan 8.190 nan 0.000 0.455 33 S N -0.783 114.951 115.700 0.057 0.000 2.522 33 S HA -0.125 4.394 4.470 0.081 0.000 0.227 33 S C 1.313 175.945 174.600 0.053 0.000 0.986 33 S CA 0.425 58.658 58.200 0.054 0.000 0.929 33 S CB -0.108 63.127 63.200 0.059 0.000 0.769 33 S HN 0.557 nan 8.310 nan 0.000 0.529 34 R N -0.384 120.150 120.500 0.056 0.000 3.922 34 R HA -0.119 4.269 4.340 0.081 0.000 0.447 34 R C -0.424 175.909 176.300 0.055 0.000 1.035 34 R CA 1.382 57.513 56.100 0.051 0.000 1.289 34 R CB -2.398 27.926 30.300 0.040 0.000 1.906 34 R HN 0.565 nan 8.270 nan 0.000 0.540 35 K N 1.561 122.001 120.400 0.067 0.000 2.219 35 K HA 0.275 4.643 4.320 0.081 0.000 0.258 35 K C 0.814 177.468 176.600 0.090 0.000 1.008 35 K CA 0.903 57.239 56.287 0.081 0.000 0.928 35 K CB 0.585 33.144 32.500 0.099 0.000 0.983 35 K HN 0.315 nan 8.250 nan 0.000 0.484 36 T N -1.089 113.524 114.554 0.099 0.000 2.900 36 T HA 0.613 5.011 4.350 0.081 0.000 0.303 36 T C -0.837 173.950 174.700 0.146 0.000 1.142 36 T CA -1.060 61.085 62.100 0.075 0.000 1.007 36 T CB 0.669 69.525 68.868 -0.020 0.000 1.156 36 T HN 0.476 nan 8.240 nan 0.000 0.490 37 F N 0.089 120.030 119.950 -0.014 0.000 2.561 37 F HA 0.911 5.486 4.527 0.081 0.000 0.321 37 F C -2.992 172.832 175.800 0.040 0.000 1.065 37 F CA -2.906 55.121 58.000 0.045 0.000 0.934 37 F CB 1.627 40.637 39.000 0.016 0.000 1.215 37 F HN 0.424 nan 8.300 nan 0.000 0.471 38 P HA 0.209 nan 4.420 nan 0.000 0.284 38 P C -1.077 176.236 177.300 0.022 0.000 1.258 38 P CA -0.269 62.805 63.100 -0.043 0.000 0.824 38 P CB 2.036 33.761 31.700 0.040 0.000 1.038 39 T N 1.089 115.609 114.554 -0.056 0.000 2.792 39 T HA 0.407 4.806 4.350 0.081 0.000 0.280 39 T C -0.618 174.092 174.700 0.017 0.000 0.990 39 T CA -0.524 61.590 62.100 0.022 0.000 0.960 39 T CB 0.293 69.148 68.868 -0.021 0.000 0.939 39 T HN 0.077 nan 8.240 nan 0.000 0.439 40 V N 5.686 125.627 119.914 0.045 0.000 2.617 40 V HA 0.413 4.581 4.120 0.081 0.000 0.298 40 V C 0.660 176.767 176.094 0.021 0.000 1.048 40 V CA -1.030 61.293 62.300 0.038 0.000 0.964 40 V CB 1.526 33.399 31.823 0.084 0.000 1.004 40 V HN 0.949 nan 8.190 nan 0.000 0.466 41 N N 5.524 124.226 118.700 0.004 0.000 2.415 41 N HA 0.212 5.001 4.740 0.081 0.000 0.246 41 N C -1.443 174.047 175.510 -0.034 0.000 1.078 41 N CA -1.468 51.574 53.050 -0.013 0.000 0.942 41 N CB 1.237 39.719 38.487 -0.008 0.000 1.140 41 N HN 0.426 nan 8.380 nan 0.000 0.501 42 P HA -0.102 nan 4.420 nan 0.000 0.226 42 P C 0.404 177.556 177.300 -0.247 0.000 1.146 42 P CA 0.985 64.068 63.100 -0.028 0.000 0.773 42 P CB 0.344 32.030 31.700 -0.023 0.000 0.772 43 S N -0.787 114.821 115.700 -0.152 0.000 2.470 43 S HA -0.017 4.501 4.470 0.081 0.000 0.225 43 S C 1.775 176.406 174.600 0.051 0.000 1.006 43 S CA 1.564 59.753 58.200 -0.018 0.000 0.934 43 S CB -0.470 62.778 63.200 0.080 0.000 0.778 43 S HN 0.442 nan 8.310 nan 0.000 0.517 44 T N -3.239 111.272 114.554 -0.073 0.000 2.969 44 T HA 0.459 4.858 4.350 0.081 0.000 0.258 44 T C 1.462 176.058 174.700 -0.174 0.000 0.962 44 T CA 0.775 62.824 62.100 -0.086 0.000 0.903 44 T CB 0.375 69.220 68.868 -0.039 0.000 1.177 44 T HN 0.476 nan 8.240 nan 0.000 0.511 45 G N 1.626 110.279 108.800 -0.246 0.000 2.184 45 G HA2 -0.211 3.797 3.960 0.081 0.000 0.264 45 G HA3 -0.211 3.797 3.960 0.081 0.000 0.264 45 G C -0.176 174.677 174.900 -0.078 0.000 0.975 45 G CA 0.204 45.159 45.100 -0.242 0.000 0.642 45 G HN 0.636 nan 8.290 nan 0.000 0.536 46 E N -0.080 120.084 120.200 -0.060 0.000 2.319 46 E HA 0.456 4.854 4.350 0.081 0.000 0.268 46 E C 0.482 177.073 176.600 -0.015 0.000 1.050 46 E CA -0.701 55.680 56.400 -0.031 0.000 0.878 46 E CB 2.099 31.779 29.700 -0.033 0.000 1.066 46 E HN 0.092 nan 8.360 nan 0.000 0.406 47 V N 3.901 123.808 119.914 -0.012 0.000 2.521 47 V HA -0.018 4.150 4.120 0.081 0.000 0.286 47 V C 1.618 177.695 176.094 -0.029 0.000 1.034 47 V CA 0.398 62.690 62.300 -0.013 0.000 1.045 47 V CB 0.260 32.075 31.823 -0.013 0.000 0.974 47 V HN 0.625 nan 8.190 nan 0.000 0.480 48 I N 4.049 124.598 120.570 -0.035 0.000 2.235 48 I HA 0.030 4.249 4.170 0.081 0.000 0.241 48 I C 0.997 177.072 176.117 -0.070 0.000 1.085 48 I CA 1.291 62.562 61.300 -0.047 0.000 1.378 48 I CB 0.140 38.114 38.000 -0.043 0.000 1.076 48 I HN 0.872 nan 8.210 nan 0.000 0.415 49 C N -2.147 117.101 119.300 -0.087 0.000 3.216 49 C HA 0.399 4.908 4.460 0.081 0.000 0.346 49 C C -1.277 173.621 174.990 -0.153 0.000 1.384 49 C CA -1.202 57.750 59.018 -0.111 0.000 1.208 49 C CB 1.236 28.901 27.740 -0.124 0.000 1.483 49 C HN 0.138 nan 8.230 nan 0.000 0.453 50 Q N 0.603 120.305 119.800 -0.163 0.000 2.259 50 Q HA 0.747 5.136 4.340 0.081 0.000 0.246 50 Q C -0.599 175.216 176.000 -0.307 0.000 0.920 50 Q CA -0.182 55.490 55.803 -0.218 0.000 0.895 50 Q CB 1.798 30.455 28.738 -0.135 0.000 1.220 50 Q HN 0.770 nan 8.270 nan 0.000 0.439 51 V N 0.860 120.456 119.914 -0.530 0.000 2.638 51 V HA 0.517 4.685 4.120 0.081 0.000 0.306 51 V C -0.366 175.504 176.094 -0.373 0.000 1.052 51 V CA -1.316 60.651 62.300 -0.555 0.000 0.885 51 V CB 1.836 33.099 31.823 -0.933 0.000 0.999 51 V HN 0.889 nan 8.190 nan 0.000 0.424 52 A N 2.865 125.644 122.820 -0.069 0.000 2.567 52 A HA 0.188 4.557 4.320 0.081 0.000 0.240 52 A C 0.413 178.140 177.584 0.239 0.000 1.053 52 A CA 0.311 52.397 52.037 0.081 0.000 0.755 52 A CB -0.023 19.049 19.000 0.120 0.000 0.978 52 A HN 0.905 nan 8.150 nan 0.000 0.507 53 E N 2.951 123.280 120.200 0.216 0.000 1.993 53 E HA 0.363 4.761 4.350 0.081 0.000 0.271 53 E C 0.589 177.200 176.600 0.018 0.000 1.008 53 E CA -0.285 56.187 56.400 0.119 0.000 0.814 53 E CB 0.270 29.992 29.700 0.037 0.000 1.098 53 E HN 0.800 nan 8.360 nan 0.000 0.407 54 G N 3.487 112.293 108.800 0.010 0.000 2.483 54 G HA2 0.080 4.089 3.960 0.081 0.000 0.248 54 G HA3 0.080 4.089 3.960 0.081 0.000 0.248 54 G C -0.304 174.593 174.900 -0.005 0.000 1.248 54 G CA -0.205 44.909 45.100 0.024 0.000 0.838 54 G HN 0.587 nan 8.290 nan 0.000 0.566 55 D N -0.532 119.886 120.400 0.030 0.000 2.867 55 D HA 0.199 4.888 4.640 0.081 0.000 0.308 55 D C 1.286 177.615 176.300 0.048 0.000 1.202 55 D CA -0.807 53.216 54.000 0.039 0.000 1.035 55 D CB 1.613 42.442 40.800 0.049 0.000 1.427 55 D HN 0.276 nan 8.370 nan 0.000 0.570 56 K N 0.246 120.676 120.400 0.051 0.000 2.089 56 K HA -0.206 4.162 4.320 0.081 0.000 0.210 56 K C 1.450 178.088 176.600 0.062 0.000 1.048 56 K CA 1.832 58.153 56.287 0.056 0.000 0.926 56 K CB 0.069 32.593 32.500 0.041 0.000 0.714 56 K HN 0.325 nan 8.250 nan 0.000 0.448 57 E N -0.067 120.165 120.200 0.054 0.000 2.204 57 E HA -0.148 4.251 4.350 0.081 0.000 0.194 57 E C 1.491 178.125 176.600 0.058 0.000 0.989 57 E CA 0.944 57.377 56.400 0.055 0.000 0.824 57 E CB 0.068 29.797 29.700 0.049 0.000 0.756 57 E HN 0.432 nan 8.360 nan 0.000 0.477 58 D N 0.432 120.865 120.400 0.056 0.000 2.183 58 D HA -0.068 4.620 4.640 0.081 0.000 0.205 58 D C 2.127 178.448 176.300 0.035 0.000 0.962 58 D CA 0.625 54.655 54.000 0.049 0.000 0.849 58 D CB 0.197 41.031 40.800 0.056 0.000 0.978 58 D HN 0.023 nan 8.370 nan 0.000 0.488 59 V N 1.941 121.883 119.914 0.047 0.000 2.343 59 V HA -0.211 3.957 4.120 0.081 0.000 0.247 59 V C 1.860 177.978 176.094 0.041 0.000 1.051 59 V CA 1.664 63.989 62.300 0.040 0.000 1.036 59 V CB -0.380 31.486 31.823 0.073 0.000 0.654 59 V HN 0.007 nan 8.190 nan 0.000 0.451 60 D N 0.027 120.486 120.400 0.099 0.000 2.144 60 D HA -0.152 4.536 4.640 0.081 0.000 0.199 60 D C 2.272 178.607 176.300 0.058 0.000 0.984 60 D CA 1.224 55.311 54.000 0.146 0.000 0.834 60 D CB -0.181 40.705 40.800 0.144 0.000 0.955 60 D HN 0.414 nan 8.370 nan 0.000 0.465 61 K N 0.317 120.734 120.400 0.029 0.000 2.097 61 K HA 0.035 4.404 4.320 0.081 0.000 0.205 61 K C 2.083 178.653 176.600 -0.050 0.000 1.050 61 K CA 0.975 57.261 56.287 -0.001 0.000 0.938 61 K CB -0.000 32.503 32.500 0.006 0.000 0.718 61 K HN 0.025 nan 8.250 nan 0.000 0.442 62 A N 0.991 123.773 122.820 -0.063 0.000 1.855 62 A HA -0.120 4.249 4.320 0.081 0.000 0.215 62 A C 2.356 179.872 177.584 -0.112 0.000 1.191 62 A CA 1.374 53.353 52.037 -0.098 0.000 0.613 62 A CB -0.738 18.215 19.000 -0.078 0.000 0.829 62 A HN 0.055 nan 8.150 nan 0.000 0.442 63 V N 0.251 120.079 119.914 -0.144 0.000 2.332 63 V HA -0.298 3.871 4.120 0.081 0.000 0.248 63 V C 2.462 178.478 176.094 -0.130 0.000 1.055 63 V CA 2.418 64.588 62.300 -0.217 0.000 1.038 63 V CB -0.701 30.810 31.823 -0.520 0.000 0.651 63 V HN 0.541 nan 8.190 nan 0.000 0.450 64 K N -0.061 120.296 120.400 -0.073 0.000 2.097 64 K HA -0.114 4.254 4.320 0.081 0.000 0.206 64 K C 2.274 178.857 176.600 -0.029 0.000 1.049 64 K CA 1.423 57.695 56.287 -0.025 0.000 0.933 64 K CB -0.343 32.159 32.500 0.004 0.000 0.717 64 K HN 0.498 nan 8.250 nan 0.000 0.442 65 A N 1.278 124.064 122.820 -0.057 0.000 1.897 65 A HA -0.041 4.328 4.320 0.081 0.000 0.215 65 A C 2.331 179.882 177.584 -0.054 0.000 1.181 65 A CA 1.582 53.578 52.037 -0.068 0.000 0.620 65 A CB -0.564 18.363 19.000 -0.122 0.000 0.821 65 A HN 0.312 nan 8.150 nan 0.000 0.443 66 A N 0.090 122.869 122.820 -0.068 0.000 1.877 66 A HA -0.172 4.196 4.320 0.081 0.000 0.216 66 A C 2.186 179.784 177.584 0.024 0.000 1.186 66 A CA 2.186 54.192 52.037 -0.051 0.000 0.620 66 A CB -0.459 18.485 19.000 -0.092 0.000 0.822 66 A HN 0.456 nan 8.150 nan 0.000 0.443 67 R N 0.244 120.753 120.500 0.015 0.000 2.096 67 R HA -0.008 4.381 4.340 0.081 0.000 0.235 67 R C 2.032 178.412 176.300 0.134 0.000 1.127 67 R CA 1.935 58.085 56.100 0.083 0.000 0.968 67 R CB -0.839 29.486 30.300 0.042 0.000 0.861 67 R HN 0.391 nan 8.270 nan 0.000 0.440 68 A N 0.062 122.929 122.820 0.077 0.000 1.929 68 A HA 0.094 4.463 4.320 0.081 0.000 0.216 68 A C 2.292 179.933 177.584 0.095 0.000 1.176 68 A CA 1.377 53.457 52.037 0.072 0.000 0.628 68 A CB -0.849 18.170 19.000 0.033 0.000 0.816 68 A HN 0.451 nan 8.150 nan 0.000 0.444 69 A N -2.049 120.830 122.820 0.098 0.000 2.121 69 A HA 0.075 4.444 4.320 0.081 0.000 0.218 69 A C 1.706 179.444 177.584 0.257 0.000 1.154 69 A CA 1.201 53.312 52.037 0.123 0.000 0.679 69 A CB -0.533 18.491 19.000 0.041 0.000 0.795 69 A HN 0.602 nan 8.150 nan 0.000 0.458 70 F N 0.100 120.113 119.950 0.106 0.000 2.727 70 F HA 0.216 4.790 4.527 0.078 0.000 0.302 70 F C 0.694 176.559 175.800 0.109 0.000 1.097 70 F CA -0.249 57.842 58.000 0.152 0.000 1.330 70 F CB 0.199 39.275 39.000 0.126 0.000 1.084 70 F HN 0.074 nan 8.300 nan 0.000 0.578 71 Q N 1.667 121.524 119.800 0.094 0.000 2.361 71 Q HA 0.038 4.427 4.340 0.081 0.000 0.276 71 Q C -0.231 175.723 176.000 -0.078 0.000 1.022 71 Q CA -0.126 55.687 55.803 0.017 0.000 0.898 71 Q CB 0.883 29.650 28.738 0.049 0.000 1.246 71 Q HN 0.278 nan 8.270 nan 0.000 0.410 72 L N 1.602 122.771 121.223 -0.088 0.000 2.601 72 L HA 0.121 4.510 4.340 0.081 0.000 0.277 72 L C 1.207 178.047 176.870 -0.050 0.000 1.219 72 L CA 2.146 56.929 54.840 -0.095 0.000 0.915 72 L CB 0.001 42.025 42.059 -0.059 0.000 1.160 72 L HN 0.917 nan 8.230 nan 0.000 0.494 73 G N 1.909 110.678 108.800 -0.052 0.000 2.194 73 G HA2 -0.269 3.740 3.960 0.081 0.000 0.236 73 G HA3 -0.269 3.740 3.960 0.081 0.000 0.236 73 G C 0.322 175.219 174.900 -0.004 0.000 0.987 73 G CA 0.262 45.349 45.100 -0.022 0.000 0.635 73 G HN 1.106 nan 8.290 nan 0.000 0.520 74 S N 0.610 116.311 115.700 0.001 0.000 2.600 74 S HA 0.553 5.071 4.470 0.081 0.000 0.265 74 S C -0.665 173.975 174.600 0.066 0.000 1.325 74 S CA -0.228 57.998 58.200 0.043 0.000 1.002 74 S CB 1.849 65.092 63.200 0.071 0.000 0.921 74 S HN 0.012 nan 8.310 nan 0.000 0.554 75 P HA -0.108 nan 4.420 nan 0.000 0.216 75 P C 1.226 178.634 177.300 0.181 0.000 1.153 75 P CA 1.191 64.362 63.100 0.119 0.000 0.858 75 P CB -0.081 31.693 31.700 0.124 0.000 0.789 76 W N -0.001 121.301 121.300 0.003 0.000 2.402 76 W HA -0.115 4.595 4.660 0.083 0.000 0.286 76 W C 1.599 178.114 176.519 -0.006 0.000 1.221 76 W CA 0.645 58.000 57.345 0.017 0.000 1.257 76 W CB -0.048 29.451 29.460 0.065 0.000 1.120 76 W HN -0.152 nan 8.180 nan 0.000 0.551 77 R N 0.306 120.794 120.500 -0.020 0.000 2.119 77 R HA -0.005 4.383 4.340 0.081 0.000 0.222 77 R C 2.070 178.275 176.300 -0.158 0.000 1.088 77 R CA 0.833 56.820 56.100 -0.189 0.000 0.984 77 R CB -0.584 29.589 30.300 -0.211 0.000 0.884 77 R HN 0.299 nan 8.270 nan 0.000 0.447 78 R N -0.283 120.168 120.500 -0.082 0.000 2.210 78 R HA 0.167 4.555 4.340 0.081 0.000 0.203 78 R C 1.115 177.382 176.300 -0.055 0.000 1.010 78 R CA -0.169 55.897 56.100 -0.057 0.000 1.008 78 R CB -0.014 30.275 30.300 -0.018 0.000 0.923 78 R HN 0.107 nan 8.270 nan 0.000 0.469 79 M N 2.253 121.812 119.600 -0.068 0.000 2.248 79 M HA -0.071 4.458 4.480 0.081 0.000 0.343 79 M C -0.698 175.558 176.300 -0.073 0.000 1.243 79 M CA 0.508 55.783 55.300 -0.042 0.000 1.025 79 M CB 0.488 33.029 32.600 -0.098 0.000 1.759 79 M HN -0.072 nan 8.290 nan 0.000 0.452 80 D N 3.786 124.189 120.400 0.005 0.000 2.443 80 D HA 0.110 4.799 4.640 0.081 0.000 0.239 80 D C 0.804 177.086 176.300 -0.029 0.000 1.136 80 D CA 0.498 54.491 54.000 -0.012 0.000 0.879 80 D CB 1.151 41.953 40.800 0.002 0.000 1.195 80 D HN 0.749 nan 8.370 nan 0.000 0.443 81 A N 2.348 125.140 122.820 -0.046 0.000 1.908 81 A HA -0.224 4.145 4.320 0.081 0.000 0.218 81 A C 2.118 179.700 177.584 -0.003 0.000 1.181 81 A CA 2.252 54.261 52.037 -0.047 0.000 0.627 81 A CB -0.639 18.349 19.000 -0.019 0.000 0.818 81 A HN 0.596 nan 8.150 nan 0.000 0.445 82 S N -1.274 114.435 115.700 0.016 0.000 2.419 82 S HA -0.255 4.264 4.470 0.081 0.000 0.233 82 S C 1.852 176.500 174.600 0.081 0.000 1.016 82 S CA 1.467 59.686 58.200 0.032 0.000 0.974 82 S CB -0.913 62.294 63.200 0.011 0.000 0.786 82 S HN 0.787 nan 8.310 nan 0.000 0.492 83 H N 1.258 120.299 119.070 -0.047 0.000 2.389 83 H HA 0.088 4.692 4.556 0.080 0.000 0.299 83 H C 2.479 177.777 175.328 -0.050 0.000 1.081 83 H CA 0.852 56.870 56.048 -0.049 0.000 1.345 83 H CB 0.056 29.784 29.762 -0.056 0.000 1.393 83 H HN 0.367 nan 8.280 nan 0.000 0.520 84 R N -0.233 120.263 120.500 -0.007 0.000 2.105 84 R HA -0.114 4.274 4.340 0.081 0.000 0.239 84 R C 2.570 178.913 176.300 0.071 0.000 1.135 84 R CA 1.015 57.100 56.100 -0.025 0.000 0.967 84 R CB -0.446 29.801 30.300 -0.089 0.000 0.861 84 R HN 0.361 nan 8.270 nan 0.000 0.442 85 G N 1.147 109.994 108.800 0.078 0.000 2.422 85 G HA2 -0.233 3.776 3.960 0.081 0.000 0.218 85 G HA3 -0.233 3.776 3.960 0.081 0.000 0.218 85 G C 1.448 176.399 174.900 0.085 0.000 1.146 85 G CA 0.185 45.342 45.100 0.095 0.000 0.769 85 G HN 0.124 nan 8.290 nan 0.000 0.547 86 R N 0.288 120.839 120.500 0.085 0.000 2.073 86 R HA 0.043 4.432 4.340 0.081 0.000 0.234 86 R C 2.656 178.974 176.300 0.030 0.000 1.134 86 R CA 0.722 56.875 56.100 0.088 0.000 0.952 86 R CB -1.144 29.272 30.300 0.194 0.000 0.850 86 R HN 0.414 nan 8.270 nan 0.000 0.433 87 L N 0.462 121.631 121.223 -0.090 0.000 2.046 87 L HA -0.142 4.247 4.340 0.081 0.000 0.208 87 L C 2.544 179.410 176.870 -0.006 0.000 1.077 87 L CA 1.030 55.691 54.840 -0.299 0.000 0.747 87 L CB -0.539 40.954 42.059 -0.943 0.000 0.896 87 L HN 0.109 nan 8.230 nan 0.000 0.432 88 L N -0.278 121.049 121.223 0.174 0.000 2.046 88 L HA -0.211 4.178 4.340 0.081 0.000 0.208 88 L C 2.420 179.414 176.870 0.207 0.000 1.077 88 L CA 1.071 56.100 54.840 0.315 0.000 0.747 88 L CB -0.569 41.666 42.059 0.293 0.000 0.896 88 L HN 0.373 nan 8.230 nan 0.000 0.432 89 N N -0.084 118.700 118.700 0.140 0.000 2.244 89 N HA -0.192 4.597 4.740 0.081 0.000 0.183 89 N C 1.943 177.514 175.510 0.102 0.000 1.016 89 N CA 0.929 54.045 53.050 0.109 0.000 0.866 89 N CB -0.183 38.351 38.487 0.079 0.000 0.980 89 N HN 0.168 nan 8.380 nan 0.000 0.430 90 R N 1.368 121.925 120.500 0.094 0.000 2.075 90 R HA -0.010 4.378 4.340 0.081 0.000 0.232 90 R C 2.049 178.419 176.300 0.116 0.000 1.126 90 R CA 0.829 56.980 56.100 0.085 0.000 0.963 90 R CB -1.015 29.316 30.300 0.052 0.000 0.858 90 R HN 0.183 nan 8.270 nan 0.000 0.435 91 L N 0.339 121.669 121.223 0.178 0.000 2.083 91 L HA 0.029 4.418 4.340 0.081 0.000 0.209 91 L C 2.079 179.025 176.870 0.127 0.000 1.083 91 L CA 2.240 57.190 54.840 0.183 0.000 0.752 91 L CB -1.002 41.216 42.059 0.266 0.000 0.899 91 L HN 0.262 nan 8.230 nan 0.000 0.433 92 A N -0.801 122.097 122.820 0.129 0.000 1.902 92 A HA -0.218 4.151 4.320 0.081 0.000 0.217 92 A C 2.018 179.655 177.584 0.090 0.000 1.181 92 A CA 1.857 53.959 52.037 0.108 0.000 0.623 92 A CB -0.847 18.220 19.000 0.112 0.000 0.818 92 A HN 0.531 nan 8.150 nan 0.000 0.443 93 D N 0.076 120.528 120.400 0.086 0.000 2.117 93 D HA -0.117 4.572 4.640 0.081 0.000 0.197 93 D C 1.958 178.304 176.300 0.077 0.000 0.987 93 D CA 1.068 55.113 54.000 0.074 0.000 0.829 93 D CB -0.332 40.508 40.800 0.067 0.000 0.961 93 D HN 0.459 nan 8.370 nan 0.000 0.460 94 L N 0.365 121.637 121.223 0.080 0.000 2.056 94 L HA -0.105 4.283 4.340 0.081 0.000 0.207 94 L C 2.532 179.464 176.870 0.103 0.000 1.078 94 L CA 0.632 55.520 54.840 0.080 0.000 0.749 94 L CB -0.248 41.849 42.059 0.064 0.000 0.901 94 L HN 0.019 nan 8.230 nan 0.000 0.433 95 I N -0.175 120.456 120.570 0.101 0.000 2.286 95 I HA -0.288 3.931 4.170 0.081 0.000 0.248 95 I C 2.580 178.760 176.117 0.105 0.000 1.115 95 I CA 1.310 62.681 61.300 0.118 0.000 1.392 95 I CB -0.160 37.897 38.000 0.095 0.000 1.065 95 I HN 0.332 nan 8.210 nan 0.000 0.418 96 E N 1.160 121.408 120.200 0.079 0.000 2.150 96 E HA -0.252 4.146 4.350 0.081 0.000 0.193 96 E C 2.367 179.020 176.600 0.087 0.000 0.985 96 E CA 0.792 57.228 56.400 0.060 0.000 0.814 96 E CB 0.018 29.750 29.700 0.053 0.000 0.752 96 E HN 0.266 nan 8.360 nan 0.000 0.466 97 R N 0.317 120.877 120.500 0.099 0.000 2.081 97 R HA -0.123 4.265 4.340 0.081 0.000 0.235 97 R C 0.372 176.755 176.300 0.137 0.000 1.131 97 R CA 1.799 57.962 56.100 0.105 0.000 0.960 97 R CB 0.062 30.416 30.300 0.091 0.000 0.856 97 R HN 0.116 nan 8.270 nan 0.000 0.436 98 D N -0.158 120.347 120.400 0.175 0.000 2.491 98 D HA 0.036 4.725 4.640 0.081 0.000 0.228 98 D C 1.040 177.498 176.300 0.263 0.000 1.183 98 D CA -0.060 54.084 54.000 0.241 0.000 0.827 98 D CB 0.225 41.231 40.800 0.343 0.000 0.989 98 D HN 0.226 nan 8.370 nan 0.000 0.494 99 R N 0.685 121.297 120.500 0.187 0.000 2.094 99 R HA -0.179 4.209 4.340 0.081 0.000 0.239 99 R C 1.670 178.119 176.300 0.249 0.000 1.137 99 R CA 2.265 58.436 56.100 0.118 0.000 0.943 99 R CB -0.252 30.026 30.300 -0.037 0.000 0.850 99 R HN 0.207 nan 8.270 nan 0.000 0.433 100 T N -1.006 113.797 114.554 0.415 0.000 2.684 100 T HA -0.256 4.143 4.350 0.081 0.000 0.267 100 T C 1.769 176.723 174.700 0.423 0.000 1.036 100 T CA 1.540 63.961 62.100 0.534 0.000 1.148 100 T CB -0.896 68.215 68.868 0.405 0.000 0.863 100 T HN 0.464 nan 8.240 nan 0.000 0.436 101 Y N 2.396 122.814 120.300 0.196 0.000 2.070 101 Y HA -0.044 4.554 4.550 0.081 0.000 0.280 101 Y C 2.188 178.156 175.900 0.113 0.000 1.148 101 Y CA 1.053 59.219 58.100 0.110 0.000 1.125 101 Y CB -0.695 37.773 38.460 0.014 0.000 0.975 101 Y HN 0.120 nan 8.280 nan 0.000 0.492 102 L N -0.014 121.224 121.223 0.025 0.000 2.079 102 L HA -0.268 4.120 4.340 0.081 0.000 0.210 102 L C 2.798 179.666 176.870 -0.004 0.000 1.081 102 L CA 1.264 56.064 54.840 -0.067 0.000 0.752 102 L CB -1.005 41.130 42.059 0.128 0.000 0.896 102 L HN 0.423 nan 8.230 nan 0.000 0.433 103 A N -0.153 122.752 122.820 0.142 0.000 1.902 103 A HA -0.167 4.201 4.320 0.081 0.000 0.217 103 A C 2.520 180.296 177.584 0.319 0.000 1.181 103 A CA 1.744 53.907 52.037 0.211 0.000 0.623 103 A CB -0.660 18.525 19.000 0.308 0.000 0.818 103 A HN 0.414 nan 8.150 nan 0.000 0.443 104 A N -0.616 122.434 122.820 0.383 0.000 1.873 104 A HA -0.002 4.367 4.320 0.081 0.000 0.215 104 A C 2.115 179.797 177.584 0.164 0.000 1.186 104 A CA 1.665 53.926 52.037 0.373 0.000 0.616 104 A CB -0.626 18.497 19.000 0.204 0.000 0.823 104 A HN 0.647 nan 8.150 nan 0.000 0.442 105 L N -0.079 121.085 121.223 -0.097 0.000 2.083 105 L HA -0.126 4.263 4.340 0.081 0.000 0.209 105 L C 2.214 179.042 176.870 -0.070 0.000 1.083 105 L CA 2.628 57.364 54.840 -0.174 0.000 0.752 105 L CB -0.564 41.223 42.059 -0.452 0.000 0.899 105 L HN 0.525 nan 8.230 nan 0.000 0.433 106 E N -1.126 119.048 120.200 -0.043 0.000 2.051 106 E HA -0.185 4.214 4.350 0.081 0.000 0.192 106 E C 2.020 178.585 176.600 -0.059 0.000 0.991 106 E CA 1.978 58.359 56.400 -0.031 0.000 0.799 106 E CB -0.307 29.387 29.700 -0.010 0.000 0.748 106 E HN 0.470 nan 8.360 nan 0.000 0.449 107 T N 0.757 115.267 114.554 -0.073 0.000 2.746 107 T HA -0.129 4.269 4.350 0.081 0.000 0.267 107 T C 1.710 176.269 174.700 -0.235 0.000 1.039 107 T CA 1.137 63.105 62.100 -0.220 0.000 1.142 107 T CB -0.344 68.271 68.868 -0.421 0.000 0.866 107 T HN 0.120 nan 8.240 nan 0.000 0.444 108 L N 1.256 122.425 121.223 -0.090 0.000 2.012 108 L HA -0.091 4.298 4.340 0.081 0.000 0.210 108 L C 2.029 178.884 176.870 -0.024 0.000 1.073 108 L CA 1.902 56.755 54.840 0.022 0.000 0.748 108 L CB -0.408 41.726 42.059 0.126 0.000 0.891 108 L HN 0.081 nan 8.230 nan 0.000 0.431 109 D N -1.657 118.722 120.400 -0.034 0.000 2.240 109 D HA -0.137 4.552 4.640 0.081 0.000 0.206 109 D C 1.904 178.178 176.300 -0.043 0.000 0.963 109 D CA 0.782 54.766 54.000 -0.027 0.000 0.863 109 D CB 0.031 40.826 40.800 -0.009 0.000 0.973 109 D HN 0.438 nan 8.370 nan 0.000 0.501 110 N N -0.726 117.934 118.700 -0.067 0.000 2.436 110 N HA -0.023 4.766 4.740 0.081 0.000 0.178 110 N C 1.339 176.763 175.510 -0.143 0.000 1.026 110 N CA 1.554 54.553 53.050 -0.085 0.000 0.880 110 N CB 0.806 39.246 38.487 -0.079 0.000 1.061 110 N HN 0.240 nan 8.380 nan 0.000 0.434 111 G N 1.496 110.194 108.800 -0.170 0.000 2.213 111 G HA2 -0.256 3.753 3.960 0.081 0.000 0.226 111 G HA3 -0.256 3.753 3.960 0.081 0.000 0.226 111 G C -0.070 174.697 174.900 -0.221 0.000 0.992 111 G CA 0.394 45.367 45.100 -0.212 0.000 0.632 111 G HN 0.685 nan 8.290 nan 0.000 0.511 112 K N 0.972 121.245 120.400 -0.213 0.000 2.355 112 K HA 0.490 4.858 4.320 0.081 0.000 0.270 112 K C -2.644 173.858 176.600 -0.164 0.000 1.003 112 K CA -1.346 54.818 56.287 -0.205 0.000 0.957 112 K CB 0.542 32.893 32.500 -0.248 0.000 0.939 112 K HN 0.051 nan 8.250 nan 0.000 0.482 113 P HA -0.138 nan 4.420 nan 0.000 0.262 113 P C -0.344 176.946 177.300 -0.015 0.000 1.182 113 P CA 0.095 63.169 63.100 -0.044 0.000 0.761 113 P CB 0.091 31.799 31.700 0.012 0.000 0.795 114 Y N 5.034 125.262 120.300 -0.121 0.000 2.207 114 Y HA -0.258 4.341 4.550 0.082 0.000 0.287 114 Y C 1.793 177.741 175.900 0.080 0.000 1.156 114 Y CA 1.755 59.836 58.100 -0.032 0.000 1.182 114 Y CB -0.861 37.632 38.460 0.054 0.000 0.979 114 Y HN 0.092 nan 8.280 nan 0.000 0.521 115 V N 0.480 120.360 119.914 -0.058 0.000 2.287 115 V HA -0.342 3.827 4.120 0.081 0.000 0.248 115 V C 2.401 178.470 176.094 -0.041 0.000 1.053 115 V CA 1.933 64.173 62.300 -0.099 0.000 1.027 115 V CB -0.686 31.162 31.823 0.041 0.000 0.646 115 V HN 0.436 nan 8.190 nan 0.000 0.447 116 I N -0.238 120.345 120.570 0.023 0.000 2.315 116 I HA -0.161 4.058 4.170 0.081 0.000 0.248 116 I C 2.676 178.829 176.117 0.061 0.000 1.117 116 I CA 1.666 63.022 61.300 0.094 0.000 1.404 116 I CB -1.424 36.652 38.000 0.127 0.000 1.071 116 I HN 0.325 nan 8.210 nan 0.000 0.419 117 S N -0.159 115.533 115.700 -0.014 0.000 2.370 117 S HA -0.246 4.273 4.470 0.081 0.000 0.226 117 S C 2.144 176.732 174.600 -0.020 0.000 1.033 117 S CA 1.452 59.643 58.200 -0.016 0.000 1.011 117 S CB -0.299 62.889 63.200 -0.020 0.000 0.852 117 S HN 0.490 nan 8.310 nan 0.000 0.457 118 Y N 1.048 121.196 120.300 -0.253 0.000 2.231 118 Y HA 0.213 4.812 4.550 0.082 0.000 0.294 118 Y C 1.888 177.736 175.900 -0.086 0.000 1.120 118 Y CA 1.278 59.246 58.100 -0.219 0.000 1.141 118 Y CB -0.062 38.128 38.460 -0.450 0.000 1.022 118 Y HN 0.171 nan 8.280 nan 0.000 0.523 119 L N -1.212 120.113 121.223 0.170 0.000 2.240 119 L HA -0.069 4.320 4.340 0.081 0.000 0.211 119 L C 1.590 178.515 176.870 0.091 0.000 1.106 119 L CA 0.404 55.330 54.840 0.144 0.000 0.793 119 L CB -0.200 41.949 42.059 0.149 0.000 0.927 119 L HN 0.175 nan 8.230 nan 0.000 0.446 120 V N -1.102 118.877 119.914 0.108 0.000 2.784 120 V HA -0.038 4.131 4.120 0.081 0.000 0.231 120 V C 1.638 177.802 176.094 0.116 0.000 1.128 120 V CA 0.783 63.171 62.300 0.146 0.000 1.178 120 V CB -0.188 31.796 31.823 0.269 0.000 0.943 120 V HN 0.152 nan 8.190 nan 0.000 0.500 121 D N 0.821 121.296 120.400 0.125 0.000 2.137 121 D HA -0.213 4.475 4.640 0.081 0.000 0.189 121 D C 1.943 178.256 176.300 0.022 0.000 0.998 121 D CA 1.731 55.785 54.000 0.089 0.000 0.839 121 D CB -0.341 40.513 40.800 0.091 0.000 0.962 121 D HN 0.184 nan 8.370 nan 0.000 0.446 122 L N 0.209 121.418 121.223 -0.023 0.000 2.131 122 L HA -0.132 4.256 4.340 0.081 0.000 0.210 122 L C 1.817 178.654 176.870 -0.054 0.000 1.092 122 L CA 1.309 56.112 54.840 -0.061 0.000 0.759 122 L CB -0.370 41.602 42.059 -0.144 0.000 0.903 122 L HN 0.042 nan 8.230 nan 0.000 0.435 123 D N -0.584 119.786 120.400 -0.050 0.000 2.097 123 D HA -0.227 4.462 4.640 0.081 0.000 0.195 123 D C 2.243 178.564 176.300 0.036 0.000 0.989 123 D CA 1.486 55.477 54.000 -0.014 0.000 0.827 123 D CB 0.028 40.833 40.800 0.009 0.000 0.966 123 D HN 0.207 nan 8.370 nan 0.000 0.456 124 M N -0.656 118.977 119.600 0.055 0.000 2.296 124 M HA -0.085 4.443 4.480 0.081 0.000 0.265 124 M C 2.077 178.445 176.300 0.115 0.000 1.064 124 M CA 0.472 55.828 55.300 0.094 0.000 1.109 124 M CB 0.195 32.852 32.600 0.095 0.000 1.396 124 M HN -0.014 nan 8.290 nan 0.000 0.430 125 V N 0.545 120.499 119.914 0.068 0.000 2.358 125 V HA -0.247 3.921 4.120 0.081 0.000 0.246 125 V C 2.210 178.371 176.094 0.110 0.000 1.047 125 V CA 1.574 63.922 62.300 0.079 0.000 1.035 125 V CB -0.488 31.358 31.823 0.037 0.000 0.658 125 V HN 0.454 nan 8.190 nan 0.000 0.452 126 L N -0.633 120.639 121.223 0.081 0.000 2.046 126 L HA -0.195 4.193 4.340 0.081 0.000 0.208 126 L C 2.575 179.512 176.870 0.113 0.000 1.077 126 L CA 1.734 56.625 54.840 0.085 0.000 0.747 126 L CB -0.566 41.523 42.059 0.049 0.000 0.896 126 L HN 0.263 nan 8.230 nan 0.000 0.432 127 K N -0.945 119.520 120.400 0.110 0.000 2.148 127 K HA -0.190 4.179 4.320 0.081 0.000 0.204 127 K C 2.284 178.984 176.600 0.168 0.000 1.050 127 K CA 1.413 57.770 56.287 0.118 0.000 0.942 127 K CB -0.321 32.232 32.500 0.088 0.000 0.724 127 K HN 0.390 nan 8.250 nan 0.000 0.446 128 C N 0.986 120.415 119.300 0.216 0.000 2.462 128 C HA -0.036 4.473 4.460 0.081 0.000 0.278 128 C C 2.382 177.612 174.990 0.400 0.000 1.253 128 C CA 0.555 59.767 59.018 0.323 0.000 1.713 128 C CB -0.881 27.124 27.740 0.442 0.000 2.049 128 C HN 0.409 nan 8.230 nan 0.000 0.477 129 L N 0.281 121.688 121.223 0.307 0.000 2.083 129 L HA -0.123 4.266 4.340 0.081 0.000 0.209 129 L C 2.998 180.024 176.870 0.259 0.000 1.083 129 L CA 1.689 56.700 54.840 0.286 0.000 0.752 129 L CB -0.655 41.524 42.059 0.200 0.000 0.899 129 L HN 0.352 nan 8.230 nan 0.000 0.433 130 R N -1.499 119.123 120.500 0.204 0.000 2.148 130 R HA -0.174 4.214 4.340 0.081 0.000 0.223 130 R C 2.219 178.603 176.300 0.140 0.000 1.088 130 R CA 1.202 57.392 56.100 0.151 0.000 0.985 130 R CB -0.253 30.116 30.300 0.115 0.000 0.880 130 R HN 0.298 nan 8.270 nan 0.000 0.451 131 Y N -0.241 120.067 120.300 0.014 0.000 2.184 131 Y HA -0.206 4.390 4.550 0.077 0.000 0.290 131 Y C 1.499 177.334 175.900 -0.109 0.000 1.129 131 Y CA 1.411 59.443 58.100 -0.113 0.000 1.144 131 Y CB -0.259 38.080 38.460 -0.202 0.000 0.995 131 Y HN -0.012 nan 8.280 nan 0.000 0.513 132 Y N -0.245 120.204 120.300 0.249 0.000 2.352 132 Y HA -0.116 4.480 4.550 0.077 0.000 0.292 132 Y C 2.575 178.548 175.900 0.121 0.000 1.136 132 Y CA 0.747 58.966 58.100 0.199 0.000 1.227 132 Y CB -0.482 38.119 38.460 0.235 0.000 0.991 132 Y HN 0.273 nan 8.280 nan 0.000 0.545 133 A N 0.064 123.014 122.820 0.215 0.000 1.933 133 A HA -0.146 4.222 4.320 0.081 0.000 0.218 133 A C 2.487 180.105 177.584 0.057 0.000 1.175 133 A CA 1.729 53.856 52.037 0.151 0.000 0.628 133 A CB -1.341 17.734 19.000 0.125 0.000 0.814 133 A HN 0.463 nan 8.150 nan 0.000 0.444 134 G N -2.566 106.193 108.800 -0.068 0.000 2.484 134 G HA2 -0.168 3.841 3.960 0.081 0.000 0.218 134 G HA3 -0.168 3.841 3.960 0.081 0.000 0.218 134 G C 1.310 176.071 174.900 -0.233 0.000 1.130 134 G CA 0.563 45.541 45.100 -0.204 0.000 0.784 134 G HN 0.683 nan 8.290 nan 0.000 0.543 135 W N 0.486 121.679 121.300 -0.178 0.000 2.658 135 W HA 0.289 4.972 4.660 0.038 0.000 0.263 135 W C 2.735 179.229 176.519 -0.042 0.000 1.274 135 W CA 0.193 57.455 57.345 -0.138 0.000 1.343 135 W CB 0.332 29.714 29.460 -0.130 0.000 1.106 135 W HN 0.243 nan 8.180 nan 0.000 0.615 136 A N 1.260 124.227 122.820 0.244 0.000 1.929 136 A HA -0.320 4.049 4.320 0.081 0.000 0.221 136 A C 1.282 178.936 177.584 0.116 0.000 1.211 136 A CA 2.573 54.705 52.037 0.159 0.000 0.657 136 A CB -0.935 18.131 19.000 0.109 0.000 0.827 136 A HN 0.384 nan 8.150 nan 0.000 0.462 137 D N -2.411 118.039 120.400 0.084 0.000 2.670 137 D HA 0.232 4.920 4.640 0.081 0.000 0.255 137 D C 0.450 176.749 176.300 -0.001 0.000 1.286 137 D CA -0.080 53.943 54.000 0.037 0.000 0.830 137 D CB 0.022 40.832 40.800 0.016 0.000 1.065 137 D HN 0.513 nan 8.370 nan 0.000 0.486 138 K N -0.633 119.805 120.400 0.064 0.000 2.477 138 K HA 0.050 4.419 4.320 0.081 0.000 0.208 138 K C -0.470 176.104 176.600 -0.043 0.000 1.117 138 K CA -0.524 55.734 56.287 -0.049 0.000 1.039 138 K CB 0.846 33.361 32.500 0.025 0.000 0.937 138 K HN -0.022 nan 8.250 nan 0.000 0.570 139 Y N 3.054 123.305 120.300 -0.081 0.000 2.636 139 Y HA 0.153 4.742 4.550 0.064 0.000 0.341 139 Y C -0.336 175.431 175.900 -0.221 0.000 1.169 139 Y CA -1.291 56.735 58.100 -0.122 0.000 1.498 139 Y CB -0.802 37.612 38.460 -0.076 0.000 1.362 139 Y HN 0.073 nan 8.280 nan 0.000 0.494 140 H N 1.491 120.462 119.070 -0.164 0.000 2.607 140 H HA 0.484 5.067 4.556 0.045 0.000 0.367 140 H C 0.825 175.737 175.328 -0.692 0.000 1.181 140 H CA 0.296 56.166 56.048 -0.298 0.000 1.402 140 H CB 0.840 30.515 29.762 -0.145 0.000 1.474 140 H HN 0.733 nan 8.280 nan 0.000 0.596 141 G N 0.145 108.700 108.800 -0.407 0.000 2.583 141 G HA2 0.505 4.513 3.960 0.081 0.000 0.280 141 G HA3 0.505 4.513 3.960 0.081 0.000 0.280 141 G C -0.851 173.935 174.900 -0.191 0.000 1.376 141 G CA -0.900 43.886 45.100 -0.523 0.000 1.043 141 G HN 0.519 nan 8.290 nan 0.000 0.538 142 K N -0.672 119.683 120.400 -0.075 0.000 2.395 142 K HA 0.557 4.926 4.320 0.081 0.000 0.247 142 K C -0.996 175.638 176.600 0.056 0.000 0.973 142 K CA -0.698 55.583 56.287 -0.011 0.000 0.828 142 K CB 2.155 34.652 32.500 -0.005 0.000 1.272 142 K HN 0.598 nan 8.250 nan 0.000 0.439 143 T N -0.834 113.764 114.554 0.074 0.000 2.772 143 T HA 0.556 4.954 4.350 0.081 0.000 0.288 143 T C -0.090 174.670 174.700 0.101 0.000 0.994 143 T CA -0.724 61.462 62.100 0.144 0.000 0.951 143 T CB -0.051 68.961 68.868 0.240 0.000 0.933 143 T HN 0.363 nan 8.240 nan 0.000 0.447 144 I N 5.546 126.161 120.570 0.074 0.000 2.336 144 I HA 0.335 4.553 4.170 0.081 0.000 0.292 144 I C -1.744 174.421 176.117 0.079 0.000 0.991 144 I CA -2.707 58.624 61.300 0.051 0.000 1.227 144 I CB 2.100 40.103 38.000 0.006 0.000 1.366 144 I HN 0.483 nan 8.210 nan 0.000 0.466 145 P HA 0.128 nan 4.420 nan 0.000 0.226 145 P C 0.007 177.350 177.300 0.073 0.000 1.783 145 P CA 0.107 63.256 63.100 0.082 0.000 0.980 145 P CB 0.066 31.803 31.700 0.061 0.000 1.967 146 I N 0.828 121.447 120.570 0.081 0.000 2.882 146 I HA 0.071 4.289 4.170 0.081 0.000 0.286 146 I C 0.187 176.372 176.117 0.112 0.000 1.139 146 I CA -0.097 61.243 61.300 0.067 0.000 1.379 146 I CB 0.717 38.738 38.000 0.035 0.000 1.410 146 I HN 0.003 nan 8.210 nan 0.000 0.594 147 D N 4.385 124.843 120.400 0.097 0.000 2.368 147 D HA 0.446 5.135 4.640 0.081 0.000 0.240 147 D C 0.365 176.811 176.300 0.243 0.000 1.169 147 D CA 1.123 55.197 54.000 0.124 0.000 0.906 147 D CB 0.879 41.730 40.800 0.085 0.000 1.187 147 D HN 0.958 nan 8.370 nan 0.000 0.435 148 G N 1.252 110.174 108.800 0.203 0.000 2.796 148 G HA2 -0.197 3.812 3.960 0.081 0.000 0.571 148 G HA3 -0.197 3.812 3.960 0.081 0.000 0.571 148 G C -0.709 174.234 174.900 0.072 0.000 1.370 148 G CA -0.711 44.517 45.100 0.214 0.000 0.856 148 G HN 0.493 nan 8.290 nan 0.000 0.538 149 D N 0.947 121.183 120.400 -0.273 0.000 2.688 149 D HA 0.487 5.176 4.640 0.081 0.000 0.228 149 D C -0.019 175.886 176.300 -0.658 0.000 1.116 149 D CA 0.870 54.646 54.000 -0.374 0.000 1.023 149 D CB -0.532 40.062 40.800 -0.345 0.000 1.100 149 D HN 0.283 nan 8.370 nan 0.000 0.487 150 F N 0.250 120.247 119.950 0.078 0.000 2.613 150 F HA 0.444 5.019 4.527 0.080 0.000 0.314 150 F C -0.391 175.525 175.800 0.194 0.000 1.075 150 F CA -1.476 56.587 58.000 0.106 0.000 0.945 150 F CB 1.609 40.641 39.000 0.054 0.000 1.310 150 F HN -0.164 nan 8.300 nan 0.000 0.467 151 F N 1.790 121.893 119.950 0.256 0.000 2.460 151 F HA 0.675 5.249 4.527 0.077 0.000 0.341 151 F C -0.705 175.232 175.800 0.228 0.000 1.130 151 F CA -0.960 57.160 58.000 0.199 0.000 0.962 151 F CB 1.223 40.323 39.000 0.166 0.000 1.171 151 F HN 0.263 nan 8.300 nan 0.000 0.436 152 S N 6.415 121.994 115.700 -0.201 0.000 2.500 152 S HA 0.814 5.332 4.470 0.081 0.000 0.301 152 S C -1.460 172.930 174.600 -0.351 0.000 1.092 152 S CA -0.306 57.695 58.200 -0.331 0.000 1.030 152 S CB 0.735 63.851 63.200 -0.139 0.000 1.031 152 S HN 0.689 nan 8.310 nan 0.000 0.483 153 Y N -0.069 119.947 120.300 -0.474 0.000 2.638 153 Y HA 0.761 5.356 4.550 0.074 0.000 0.335 153 Y C -0.517 175.278 175.900 -0.174 0.000 1.155 153 Y CA -1.123 56.791 58.100 -0.311 0.000 1.046 153 Y CB 0.833 39.076 38.460 -0.361 0.000 1.303 153 Y HN 0.531 nan 8.280 nan 0.000 0.460 154 T N -0.228 114.355 114.554 0.049 0.000 2.885 154 T HA 0.749 5.148 4.350 0.081 0.000 0.285 154 T C -0.842 173.931 174.700 0.122 0.000 1.019 154 T CA -1.049 61.065 62.100 0.022 0.000 1.010 154 T CB 1.891 70.792 68.868 0.055 0.000 1.022 154 T HN 0.818 nan 8.240 nan 0.000 0.466 155 R N 0.878 121.452 120.500 0.124 0.000 2.494 155 R HA 0.351 4.739 4.340 0.081 0.000 0.305 155 R C -0.529 175.911 176.300 0.234 0.000 0.959 155 R CA -0.723 55.466 56.100 0.148 0.000 0.864 155 R CB 1.320 31.698 30.300 0.130 0.000 1.159 155 R HN 0.742 nan 8.270 nan 0.000 0.446 156 H N 2.333 121.398 119.070 -0.008 0.000 2.787 156 H HA 0.133 4.732 4.556 0.073 0.000 0.275 156 H C -0.362 175.004 175.328 0.064 0.000 1.183 156 H CA -0.355 55.695 56.048 0.002 0.000 1.290 156 H CB 0.990 30.701 29.762 -0.085 0.000 1.438 156 H HN 0.373 nan 8.280 nan 0.000 0.487 157 E N 4.109 124.406 120.200 0.161 0.000 2.283 157 E HA 0.214 4.612 4.350 0.081 0.000 0.267 157 E C -2.384 174.324 176.600 0.179 0.000 1.045 157 E CA -2.186 54.303 56.400 0.148 0.000 0.884 157 E CB 1.042 30.815 29.700 0.121 0.000 1.106 157 E HN 0.386 nan 8.360 nan 0.000 0.408 158 P HA -0.047 nan 4.420 nan 0.000 0.272 158 P C 0.565 178.011 177.300 0.244 0.000 1.223 158 P CA -0.062 63.209 63.100 0.286 0.000 0.784 158 P CB 0.692 32.669 31.700 0.461 0.000 0.923 159 V N 1.260 121.257 119.914 0.139 0.000 2.427 159 V HA 0.028 4.196 4.120 0.081 0.000 0.248 159 V C 1.281 177.319 176.094 -0.095 0.000 1.051 159 V CA 2.783 65.103 62.300 0.034 0.000 1.048 159 V CB -1.098 30.724 31.823 -0.001 0.000 0.666 159 V HN 1.031 nan 8.190 nan 0.000 0.456 160 G N -1.202 107.406 108.800 -0.320 0.000 2.253 160 G HA2 -0.138 3.870 3.960 0.081 0.000 0.190 160 G HA3 -0.138 3.870 3.960 0.081 0.000 0.190 160 G C -0.518 173.958 174.900 -0.707 0.000 1.274 160 G CA -0.208 44.286 45.100 -1.009 0.000 1.275 160 G HN 0.257 nan 8.290 nan 0.000 0.518 161 V N 1.292 120.919 119.914 -0.478 0.000 2.387 161 V HA 0.389 4.558 4.120 0.081 0.000 0.260 161 V C 0.406 176.415 176.094 -0.142 0.000 1.054 161 V CA -0.136 62.007 62.300 -0.261 0.000 0.967 161 V CB 0.134 31.834 31.823 -0.204 0.000 1.036 161 V HN 0.788 nan 8.190 nan 0.000 0.481 162 C N 4.897 124.152 119.300 -0.074 0.000 2.273 162 C HA 0.669 5.177 4.460 0.081 0.000 0.328 162 C C 1.077 176.072 174.990 0.008 0.000 1.275 162 C CA -0.948 58.075 59.018 0.009 0.000 1.704 162 C CB 0.279 28.104 27.740 0.142 0.000 2.326 162 C HN 0.975 nan 8.230 nan 0.000 0.517 163 G N 3.083 111.891 108.800 0.012 0.000 2.320 163 G HA2 0.507 4.516 3.960 0.081 0.000 0.300 163 G HA3 0.507 4.516 3.960 0.081 0.000 0.300 163 G C -0.759 174.177 174.900 0.060 0.000 1.126 163 G CA -0.137 44.975 45.100 0.020 0.000 0.896 163 G HN 0.814 nan 8.290 nan 0.000 0.436 164 Q N 1.773 121.607 119.800 0.057 0.000 2.327 164 Q HA 0.409 4.798 4.340 0.081 0.000 0.270 164 Q C -0.711 175.332 176.000 0.072 0.000 1.022 164 Q CA -0.391 55.457 55.803 0.075 0.000 0.773 164 Q CB 2.614 31.389 28.738 0.062 0.000 1.251 164 Q HN 0.524 nan 8.270 nan 0.000 0.457 165 I N 5.054 125.684 120.570 0.101 0.000 2.354 165 I HA 0.408 4.627 4.170 0.081 0.000 0.286 165 I C -0.126 175.986 176.117 -0.008 0.000 1.007 165 I CA -0.706 60.659 61.300 0.109 0.000 1.167 165 I CB 0.774 38.939 38.000 0.276 0.000 1.320 165 I HN 0.520 nan 8.210 nan 0.000 0.458 166 I N 5.709 126.264 120.570 -0.025 0.000 2.648 166 I HA 0.724 4.942 4.170 0.081 0.000 0.304 166 I C -2.553 173.499 176.117 -0.108 0.000 1.009 166 I CA -2.235 59.008 61.300 -0.095 0.000 1.114 166 I CB 1.936 39.906 38.000 -0.050 0.000 1.293 166 I HN 0.224 nan 8.210 nan 0.000 0.449 167 P HA 0.107 nan 4.420 nan 0.000 0.297 167 P C -0.151 177.031 177.300 -0.197 0.000 1.303 167 P CA -0.085 62.830 63.100 -0.309 0.000 0.753 167 P CB 0.545 31.955 31.700 -0.484 0.000 1.281 168 W N -0.011 121.291 121.300 0.004 0.000 3.058 168 W HA 0.058 4.768 4.660 0.083 0.000 0.306 168 W C 1.027 177.497 176.519 -0.081 0.000 1.188 168 W CA 0.190 57.523 57.345 -0.021 0.000 1.651 168 W CB -1.541 27.912 29.460 -0.011 0.000 1.051 168 W HN 0.206 nan 8.180 nan 0.000 0.592 169 N N 2.265 120.806 118.700 -0.266 0.000 2.166 169 N HA -0.207 4.582 4.740 0.081 0.000 0.186 169 N C -0.097 175.095 175.510 -0.529 0.000 1.019 169 N CA 1.057 53.943 53.050 -0.273 0.000 0.856 169 N CB -1.154 37.075 38.487 -0.430 0.000 0.993 169 N HN 0.124 nan 8.380 nan 0.000 0.426 170 F N -0.485 119.363 119.950 -0.171 0.000 2.710 170 F HA 0.415 4.992 4.527 0.084 0.000 0.345 170 F C -1.811 173.883 175.800 -0.177 0.000 1.362 170 F CA -2.076 55.803 58.000 -0.202 0.000 1.175 170 F CB 2.163 40.962 39.000 -0.334 0.000 1.561 170 F HN -0.176 nan 8.300 nan 0.000 0.593 171 P HA -0.235 nan 4.420 nan 0.000 0.214 171 P C 1.924 179.223 177.300 -0.001 0.000 1.172 171 P CA 1.766 64.881 63.100 0.025 0.000 0.925 171 P CB 0.414 32.139 31.700 0.041 0.000 0.793 172 L N -2.065 119.159 121.223 0.002 0.000 2.027 172 L HA -0.165 4.224 4.340 0.081 0.000 0.206 172 L C 2.479 179.305 176.870 -0.074 0.000 1.074 172 L CA 1.023 55.856 54.840 -0.012 0.000 0.745 172 L CB -1.028 41.038 42.059 0.010 0.000 0.898 172 L HN -0.024 nan 8.230 nan 0.000 0.433 173 L N -0.679 120.460 121.223 -0.140 0.000 2.012 173 L HA -0.241 4.147 4.340 0.081 0.000 0.210 173 L C 2.536 179.078 176.870 -0.547 0.000 1.073 173 L CA 1.864 56.472 54.840 -0.386 0.000 0.748 173 L CB -0.442 41.265 42.059 -0.586 0.000 0.891 173 L HN 0.183 nan 8.230 nan 0.000 0.431 174 M N -1.111 118.249 119.600 -0.399 0.000 2.108 174 M HA -0.256 4.273 4.480 0.081 0.000 0.261 174 M C 2.276 178.520 176.300 -0.093 0.000 1.066 174 M CA 1.667 56.804 55.300 -0.270 0.000 1.107 174 M CB -1.205 31.302 32.600 -0.156 0.000 1.356 174 M HN 0.503 nan 8.290 nan 0.000 0.406 175 Q N -0.135 119.621 119.800 -0.073 0.000 2.050 175 Q HA -0.140 4.248 4.340 0.081 0.000 0.202 175 Q C 2.032 178.027 176.000 -0.008 0.000 0.980 175 Q CA 1.986 57.770 55.803 -0.032 0.000 0.840 175 Q CB 0.001 28.721 28.738 -0.030 0.000 0.898 175 Q HN 0.499 nan 8.270 nan 0.000 0.424 176 A N -0.072 122.751 122.820 0.005 0.000 1.898 176 A HA -0.171 4.198 4.320 0.081 0.000 0.216 176 A C 1.514 179.226 177.584 0.214 0.000 1.181 176 A CA 1.145 53.235 52.037 0.089 0.000 0.620 176 A CB -1.060 18.008 19.000 0.112 0.000 0.819 176 A HN 0.607 nan 8.150 nan 0.000 0.442 177 W N 0.403 121.695 121.300 -0.014 0.000 2.421 177 W HA -0.019 4.695 4.660 0.090 0.000 0.270 177 W C 1.932 178.397 176.519 -0.090 0.000 1.233 177 W CA 1.141 58.479 57.345 -0.013 0.000 1.226 177 W CB -0.155 29.305 29.460 -0.002 0.000 1.121 177 W HN 0.257 nan 8.180 nan 0.000 0.579 178 K N -0.504 119.967 120.400 0.119 0.000 2.141 178 K HA 0.130 4.498 4.320 0.081 0.000 0.202 178 K C 2.049 178.544 176.600 -0.175 0.000 1.045 178 K CA 0.518 56.798 56.287 -0.011 0.000 0.971 178 K CB -0.862 31.658 32.500 0.033 0.000 0.795 178 K HN 0.190 nan 8.250 nan 0.000 0.459 179 L N 0.560 121.711 121.223 -0.121 0.000 2.093 179 L HA -0.081 4.307 4.340 0.081 0.000 0.208 179 L C 2.405 179.165 176.870 -0.184 0.000 1.085 179 L CA 1.263 56.007 54.840 -0.160 0.000 0.755 179 L CB -1.014 40.967 42.059 -0.130 0.000 0.904 179 L HN 0.254 nan 8.230 nan 0.000 0.435 180 G N 1.439 110.137 108.800 -0.169 0.000 2.679 180 G HA2 -0.243 3.766 3.960 0.081 0.000 0.217 180 G HA3 -0.243 3.766 3.960 0.081 0.000 0.217 180 G C -0.544 174.031 174.900 -0.540 0.000 1.267 180 G CA 1.102 46.070 45.100 -0.221 0.000 0.799 180 G HN 0.293 nan 8.290 nan 0.000 0.606 181 P HA -0.045 nan 4.420 nan 0.000 0.217 181 P C 2.057 178.976 177.300 -0.635 0.000 1.150 181 P CA 2.103 64.689 63.100 -0.857 0.000 0.832 181 P CB -0.212 31.003 31.700 -0.807 0.000 0.787 182 A N 0.464 122.766 122.820 -0.864 0.000 1.883 182 A HA -0.148 4.221 4.320 0.081 0.000 0.217 182 A C 2.466 179.972 177.584 -0.129 0.000 1.186 182 A CA 1.597 53.230 52.037 -0.673 0.000 0.624 182 A CB -1.595 17.057 19.000 -0.580 0.000 0.822 182 A HN 0.128 nan 8.150 nan 0.000 0.444 183 L N -1.055 120.150 121.223 -0.029 0.000 2.109 183 L HA -0.099 4.289 4.340 0.081 0.000 0.207 183 L C 3.079 180.133 176.870 0.308 0.000 1.086 183 L CA 0.836 55.847 54.840 0.285 0.000 0.760 183 L CB -0.636 41.591 42.059 0.281 0.000 0.910 183 L HN 0.431 nan 8.230 nan 0.000 0.437 184 A N 0.465 123.379 122.820 0.157 0.000 1.940 184 A HA -0.217 4.152 4.320 0.081 0.000 0.219 184 A C 2.254 179.906 177.584 0.113 0.000 1.176 184 A CA 2.313 54.448 52.037 0.163 0.000 0.631 184 A CB -0.928 18.192 19.000 0.199 0.000 0.814 184 A HN 0.520 nan 8.150 nan 0.000 0.446 185 T N -4.127 110.478 114.554 0.085 0.000 3.129 185 T HA 0.408 4.807 4.350 0.081 0.000 0.251 185 T C 1.254 176.031 174.700 0.129 0.000 1.117 185 T CA 0.963 63.129 62.100 0.109 0.000 1.034 185 T CB -0.064 68.875 68.868 0.117 0.000 0.968 185 T HN 1.732 nan 8.240 nan 0.000 0.526 186 G N 1.589 110.470 108.800 0.134 0.000 2.147 186 G HA2 -0.241 3.768 3.960 0.081 0.000 0.244 186 G HA3 -0.241 3.768 3.960 0.081 0.000 0.244 186 G C -0.037 175.176 174.900 0.523 0.000 1.005 186 G CA -0.218 44.934 45.100 0.087 0.000 0.713 186 G HN 0.592 nan 8.290 nan 0.000 0.515 187 N N -0.646 118.362 118.700 0.515 0.000 2.379 187 N HA 0.596 5.385 4.740 0.081 0.000 0.260 187 N C 0.536 176.315 175.510 0.448 0.000 1.254 187 N CA 0.466 53.769 53.050 0.421 0.000 0.958 187 N CB 1.756 40.370 38.487 0.212 0.000 1.208 187 N HN 0.716 nan 8.380 nan 0.000 0.532 188 V N -2.135 117.874 119.914 0.158 0.000 2.815 188 V HA 0.728 4.896 4.120 0.081 0.000 0.314 188 V C -0.148 175.911 176.094 -0.057 0.000 1.064 188 V CA -0.751 61.556 62.300 0.012 0.000 0.952 188 V CB 1.644 33.476 31.823 0.016 0.000 1.020 188 V HN 0.249 nan 8.190 nan 0.000 0.439 189 V N 2.803 122.657 119.914 -0.100 0.000 2.680 189 V HA 0.594 4.762 4.120 0.081 0.000 0.309 189 V C -0.454 175.592 176.094 -0.080 0.000 1.052 189 V CA -0.559 61.693 62.300 -0.081 0.000 0.908 189 V CB 2.121 33.888 31.823 -0.093 0.000 1.001 189 V HN 0.787 nan 8.190 nan 0.000 0.431 190 V N 5.168 125.048 119.914 -0.057 0.000 2.305 190 V HA 0.433 4.602 4.120 0.081 0.000 0.275 190 V C -0.186 175.898 176.094 -0.017 0.000 1.020 190 V CA -0.180 62.090 62.300 -0.049 0.000 0.811 190 V CB 1.259 33.041 31.823 -0.069 0.000 1.031 190 V HN 0.892 nan 8.190 nan 0.000 0.439 191 M N 4.811 124.407 119.600 -0.008 0.000 2.238 191 M HA 0.552 5.080 4.480 0.081 0.000 0.350 191 M C -0.527 175.793 176.300 0.033 0.000 1.138 191 M CA -0.487 54.819 55.300 0.011 0.000 1.040 191 M CB 1.177 33.773 32.600 -0.007 0.000 1.639 191 M HN 0.334 nan 8.290 nan 0.000 0.451 192 K N 5.413 125.841 120.400 0.046 0.000 2.449 192 K HA 0.386 4.754 4.320 0.081 0.000 0.257 192 K C -1.282 175.357 176.600 0.065 0.000 0.989 192 K CA -0.384 55.939 56.287 0.060 0.000 0.916 192 K CB 0.833 33.375 32.500 0.069 0.000 1.136 192 K HN 0.670 nan 8.250 nan 0.000 0.439 193 V N 0.901 120.860 119.914 0.075 0.000 2.904 193 V HA 0.634 4.803 4.120 0.081 0.000 0.305 193 V C 0.525 176.684 176.094 0.108 0.000 1.067 193 V CA -1.167 61.184 62.300 0.085 0.000 1.044 193 V CB 1.057 32.938 31.823 0.097 0.000 1.050 193 V HN 0.705 nan 8.190 nan 0.000 0.475 194 A N 2.881 125.780 122.820 0.132 0.000 2.520 194 A HA 0.248 4.616 4.320 0.081 0.000 0.245 194 A C 1.365 179.070 177.584 0.201 0.000 1.072 194 A CA 0.299 52.453 52.037 0.195 0.000 0.761 194 A CB 0.002 19.179 19.000 0.295 0.000 1.004 194 A HN 1.124 nan 8.150 nan 0.000 0.499 195 E N 2.378 122.677 120.200 0.165 0.000 2.267 195 E HA -0.275 4.124 4.350 0.081 0.000 0.197 195 E C 1.017 177.791 176.600 0.289 0.000 0.998 195 E CA 1.754 58.237 56.400 0.139 0.000 0.830 195 E CB -0.266 29.436 29.700 0.004 0.000 0.751 195 E HN 0.845 nan 8.360 nan 0.000 0.491 196 Q N 0.703 120.622 119.800 0.200 0.000 2.245 196 Q HA 0.011 4.399 4.340 0.081 0.000 0.201 196 Q C 0.720 176.792 176.000 0.119 0.000 0.955 196 Q CA 1.625 57.488 55.803 0.100 0.000 0.870 196 Q CB 0.437 29.103 28.738 -0.121 0.000 0.945 196 Q HN 0.453 nan 8.270 nan 0.000 0.461 197 T N -3.431 111.229 114.554 0.177 0.000 3.583 197 T HA 0.291 4.690 4.350 0.081 0.000 0.266 197 T C -2.470 172.314 174.700 0.141 0.000 1.296 197 T CA -1.294 60.889 62.100 0.138 0.000 1.668 197 T CB 1.095 70.047 68.868 0.141 0.000 0.832 197 T HN -0.046 nan 8.240 nan 0.000 0.649 198 P HA 0.223 nan 4.420 nan 0.000 0.239 198 P C 1.615 178.984 177.300 0.116 0.000 1.188 198 P CA -0.167 63.027 63.100 0.157 0.000 0.794 198 P CB 0.382 32.223 31.700 0.235 0.000 0.937 199 L N 0.657 121.928 121.223 0.079 0.000 1.971 199 L HA -0.185 4.204 4.340 0.081 0.000 0.215 199 L C 2.851 179.784 176.870 0.106 0.000 1.072 199 L CA 2.875 57.754 54.840 0.065 0.000 0.758 199 L CB -2.175 39.894 42.059 0.016 0.000 0.889 199 L HN 0.105 nan 8.230 nan 0.000 0.433 200 T N -1.922 112.682 114.554 0.083 0.000 2.684 200 T HA -0.203 4.195 4.350 0.081 0.000 0.267 200 T C 1.960 176.751 174.700 0.151 0.000 1.036 200 T CA 1.139 63.306 62.100 0.113 0.000 1.148 200 T CB -0.613 68.292 68.868 0.062 0.000 0.863 200 T HN 0.350 nan 8.240 nan 0.000 0.436 201 A N 1.628 124.511 122.820 0.104 0.000 1.933 201 A HA 0.129 4.498 4.320 0.081 0.000 0.218 201 A C 2.487 180.119 177.584 0.080 0.000 1.175 201 A CA 1.419 53.498 52.037 0.070 0.000 0.628 201 A CB -0.946 18.086 19.000 0.054 0.000 0.814 201 A HN 0.557 nan 8.150 nan 0.000 0.444 202 L N -2.315 119.001 121.223 0.155 0.000 2.141 202 L HA -0.163 4.225 4.340 0.081 0.000 0.209 202 L C 2.559 179.611 176.870 0.303 0.000 1.094 202 L CA 1.464 56.461 54.840 0.261 0.000 0.763 202 L CB -0.512 41.696 42.059 0.250 0.000 0.908 202 L HN 0.589 nan 8.230 nan 0.000 0.437 203 Y N 0.119 120.510 120.300 0.152 0.000 2.200 203 Y HA -0.182 4.417 4.550 0.081 0.000 0.290 203 Y C 2.359 178.329 175.900 0.117 0.000 1.137 203 Y CA 1.247 59.459 58.100 0.186 0.000 1.163 203 Y CB -0.233 38.381 38.460 0.257 0.000 0.988 203 Y HN -0.171 nan 8.280 nan 0.000 0.518 204 V N 0.433 120.357 119.914 0.017 0.000 2.490 204 V HA -0.330 3.839 4.120 0.081 0.000 0.250 204 V C 2.623 178.549 176.094 -0.279 0.000 1.061 204 V CA 1.654 63.885 62.300 -0.115 0.000 1.064 204 V CB -1.511 30.289 31.823 -0.038 0.000 0.670 204 V HN 0.561 nan 8.190 nan 0.000 0.461 205 A N 0.159 122.756 122.820 -0.371 0.000 1.972 205 A HA -0.261 4.108 4.320 0.081 0.000 0.219 205 A C 2.058 179.138 177.584 -0.840 0.000 1.169 205 A CA 2.174 53.672 52.037 -0.898 0.000 0.635 205 A CB -0.711 17.431 19.000 -1.429 0.000 0.810 205 A HN 0.583 nan 8.150 nan 0.000 0.446 206 N N -0.125 118.363 118.700 -0.355 0.000 2.216 206 N HA -0.014 4.775 4.740 0.081 0.000 0.183 206 N C 1.513 176.910 175.510 -0.188 0.000 1.017 206 N CA 1.121 54.106 53.050 -0.108 0.000 0.861 206 N CB -0.287 38.171 38.487 -0.047 0.000 0.986 206 N HN 0.485 nan 8.380 nan 0.000 0.428 207 L N -0.103 120.939 121.223 -0.301 0.000 2.156 207 L HA -0.016 4.373 4.340 0.081 0.000 0.208 207 L C 1.917 178.751 176.870 -0.061 0.000 1.095 207 L CA 0.622 55.356 54.840 -0.176 0.000 0.770 207 L CB -0.306 41.653 42.059 -0.167 0.000 0.914 207 L HN 0.203 nan 8.230 nan 0.000 0.439 208 I N 0.195 120.690 120.570 -0.126 0.000 2.361 208 I HA -0.306 3.913 4.170 0.081 0.000 0.251 208 I C 2.708 178.891 176.117 0.110 0.000 1.133 208 I CA 1.308 62.564 61.300 -0.073 0.000 1.413 208 I CB -0.231 37.565 38.000 -0.341 0.000 1.073 208 I HN 0.273 nan 8.210 nan 0.000 0.424 209 K N 1.177 121.623 120.400 0.077 0.000 2.062 209 K HA -0.213 4.156 4.320 0.081 0.000 0.205 209 K C 2.081 178.741 176.600 0.100 0.000 1.051 209 K CA 1.394 57.764 56.287 0.138 0.000 0.941 209 K CB -0.058 32.547 32.500 0.174 0.000 0.719 209 K HN 0.228 nan 8.250 nan 0.000 0.440 210 E N -0.123 120.116 120.200 0.065 0.000 2.204 210 E HA -0.132 4.266 4.350 0.081 0.000 0.194 210 E C 1.572 178.212 176.600 0.067 0.000 0.989 210 E CA 0.754 57.185 56.400 0.051 0.000 0.824 210 E CB -0.005 29.706 29.700 0.018 0.000 0.756 210 E HN 0.454 nan 8.360 nan 0.000 0.477 211 A N 0.027 122.913 122.820 0.110 0.000 2.066 211 A HA 0.067 4.435 4.320 0.081 0.000 0.218 211 A C 1.823 179.436 177.584 0.048 0.000 1.157 211 A CA 1.343 53.452 52.037 0.119 0.000 0.670 211 A CB -0.318 18.835 19.000 0.255 0.000 0.804 211 A HN 0.463 nan 8.150 nan 0.000 0.453 212 G N -2.763 106.084 108.800 0.077 0.000 2.168 212 G HA2 -0.180 3.828 3.960 0.081 0.000 0.197 212 G HA3 -0.180 3.828 3.960 0.081 0.000 0.197 212 G C -0.024 174.861 174.900 -0.025 0.000 0.997 212 G CA -0.195 44.908 45.100 0.006 0.000 0.658 212 G HN 0.276 nan 8.290 nan 0.000 0.513 213 F N 1.942 121.867 119.950 -0.043 0.000 2.538 213 F HA 0.400 4.974 4.527 0.079 0.000 0.371 213 F C -1.053 174.679 175.800 -0.112 0.000 1.087 213 F CA -1.294 56.642 58.000 -0.105 0.000 1.250 213 F CB 0.449 39.339 39.000 -0.183 0.000 1.110 213 F HN -0.083 nan 8.300 nan 0.000 0.570 214 P HA 0.012 nan 4.420 nan 0.000 0.267 214 P C -2.535 174.735 177.300 -0.049 0.000 1.201 214 P CA -0.742 62.369 63.100 0.018 0.000 0.775 214 P CB 0.010 31.753 31.700 0.072 0.000 0.854 215 P HA 0.071 nan 4.420 nan 0.000 0.268 215 P C 0.940 178.156 177.300 -0.139 0.000 1.204 215 P CA 1.236 64.261 63.100 -0.125 0.000 0.768 215 P CB 0.125 31.761 31.700 -0.107 0.000 0.842 216 G N 1.413 110.095 108.800 -0.196 0.000 2.225 216 G HA2 -0.300 3.709 3.960 0.081 0.000 0.254 216 G HA3 -0.300 3.709 3.960 0.081 0.000 0.254 216 G C 0.978 175.765 174.900 -0.188 0.000 0.988 216 G CA 0.266 45.262 45.100 -0.173 0.000 0.625 216 G HN 0.398 nan 8.290 nan 0.000 0.527 217 V N -0.282 119.470 119.914 -0.270 0.000 2.427 217 V HA 0.133 4.302 4.120 0.081 0.000 0.248 217 V C 1.389 177.277 176.094 -0.343 0.000 1.051 217 V CA 1.886 63.915 62.300 -0.452 0.000 1.048 217 V CB 0.205 31.507 31.823 -0.868 0.000 0.666 217 V HN 0.374 nan 8.190 nan 0.000 0.456 218 V N 1.439 121.201 119.914 -0.254 0.000 2.577 218 V HA 0.483 4.652 4.120 0.081 0.000 0.303 218 V C -0.887 175.198 176.094 -0.014 0.000 1.042 218 V CA -0.740 61.456 62.300 -0.173 0.000 0.872 218 V CB 1.906 33.572 31.823 -0.262 0.000 0.998 218 V HN 0.434 nan 8.190 nan 0.000 0.423 219 N N 5.371 124.061 118.700 -0.017 0.000 2.352 219 N HA 0.611 5.400 4.740 0.081 0.000 0.291 219 N C -1.302 174.239 175.510 0.052 0.000 1.040 219 N CA -0.415 52.656 53.050 0.036 0.000 0.864 219 N CB 2.976 41.416 38.487 -0.079 0.000 1.440 219 N HN 0.484 nan 8.380 nan 0.000 0.483 220 I N 1.533 122.181 120.570 0.130 0.000 2.406 220 I HA 0.364 4.583 4.170 0.081 0.000 0.290 220 I C -0.316 175.874 176.117 0.120 0.000 0.999 220 I CA -1.022 60.331 61.300 0.089 0.000 1.124 220 I CB 2.058 40.096 38.000 0.063 0.000 1.289 220 I HN 0.035 nan 8.210 nan 0.000 0.441 221 V N 7.786 127.753 119.914 0.089 0.000 2.304 221 V HA 0.315 4.483 4.120 0.081 0.000 0.278 221 V C -2.328 173.824 176.094 0.098 0.000 1.018 221 V CA -1.661 60.694 62.300 0.092 0.000 0.814 221 V CB 1.221 33.075 31.823 0.053 0.000 1.021 221 V HN 0.561 nan 8.190 nan 0.000 0.440 222 P HA 0.663 nan 4.420 nan 0.000 0.277 222 P C 0.314 177.640 177.300 0.044 0.000 1.240 222 P CA 0.236 63.432 63.100 0.161 0.000 0.798 222 P CB 1.422 33.299 31.700 0.294 0.000 0.979 223 G N 0.246 108.934 108.800 -0.188 0.000 2.343 223 G HA2 0.243 4.252 3.960 0.081 0.000 0.289 223 G HA3 0.243 4.252 3.960 0.081 0.000 0.289 223 G C -1.508 173.053 174.900 -0.565 0.000 1.295 223 G CA -0.826 43.935 45.100 -0.564 0.000 0.869 223 G HN 0.286 nan 8.290 nan 0.000 0.522 224 F N 0.594 120.389 119.950 -0.257 0.000 2.378 224 F HA 0.486 5.061 4.527 0.081 0.000 0.319 224 F C 1.902 177.663 175.800 -0.064 0.000 1.155 224 F CA 0.089 57.984 58.000 -0.175 0.000 1.157 224 F CB 1.466 40.377 39.000 -0.148 0.000 1.252 224 F HN 0.650 nan 8.300 nan 0.000 0.550 225 G N 0.746 109.664 108.800 0.198 0.000 2.434 225 G HA2 -0.125 3.884 3.960 0.081 0.000 0.214 225 G HA3 -0.125 3.884 3.960 0.081 0.000 0.214 225 G C -1.030 173.927 174.900 0.095 0.000 1.202 225 G CA 0.488 45.667 45.100 0.132 0.000 0.788 225 G HN 0.449 nan 8.290 nan 0.000 0.539 226 P HA -0.021 nan 4.420 nan 0.000 0.226 226 P C 1.696 179.030 177.300 0.056 0.000 1.146 226 P CA 1.904 65.030 63.100 0.044 0.000 0.773 226 P CB 0.033 31.744 31.700 0.018 0.000 0.772 227 T N -3.751 110.859 114.554 0.093 0.000 3.535 227 T HA 0.260 4.659 4.350 0.081 0.000 0.223 227 T C 1.939 176.677 174.700 0.064 0.000 0.933 227 T CA 0.573 62.725 62.100 0.086 0.000 1.445 227 T CB -1.126 67.819 68.868 0.128 0.000 1.286 227 T HN -0.112 nan 8.240 nan 0.000 0.436 228 A N 1.804 124.659 122.820 0.057 0.000 1.877 228 A HA 0.256 4.625 4.320 0.081 0.000 0.216 228 A C 2.643 180.261 177.584 0.057 0.000 1.186 228 A CA 1.943 54.006 52.037 0.044 0.000 0.620 228 A CB -1.762 17.248 19.000 0.017 0.000 0.822 228 A HN 0.678 nan 8.150 nan 0.000 0.443 229 G N -0.438 108.403 108.800 0.067 0.000 2.459 229 G HA2 -0.041 3.968 3.960 0.081 0.000 0.217 229 G HA3 -0.041 3.968 3.960 0.081 0.000 0.217 229 G C 1.752 176.685 174.900 0.053 0.000 1.183 229 G CA 1.627 46.773 45.100 0.078 0.000 0.776 229 G HN 0.867 nan 8.290 nan 0.000 0.552 230 A N 0.895 123.737 122.820 0.038 0.000 2.015 230 A HA 0.354 4.722 4.320 0.081 0.000 0.219 230 A C 2.750 180.352 177.584 0.029 0.000 1.163 230 A CA 1.990 54.037 52.037 0.016 0.000 0.646 230 A CB -0.574 18.429 19.000 0.006 0.000 0.806 230 A HN 0.783 nan 8.150 nan 0.000 0.448 231 A N 0.010 122.859 122.820 0.047 0.000 1.933 231 A HA -0.044 4.325 4.320 0.081 0.000 0.218 231 A C 2.076 179.724 177.584 0.107 0.000 1.175 231 A CA 1.438 53.515 52.037 0.067 0.000 0.628 231 A CB -0.496 18.549 19.000 0.076 0.000 0.814 231 A HN 0.508 nan 8.150 nan 0.000 0.444 232 I N -0.467 120.155 120.570 0.085 0.000 2.193 232 I HA -0.209 4.009 4.170 0.081 0.000 0.240 232 I C 2.959 179.122 176.117 0.077 0.000 1.084 232 I CA 1.001 62.349 61.300 0.080 0.000 1.365 232 I CB -0.403 37.629 38.000 0.054 0.000 1.064 232 I HN 0.328 nan 8.210 nan 0.000 0.410 233 A N -0.086 122.763 122.820 0.047 0.000 1.978 233 A HA -0.162 4.206 4.320 0.081 0.000 0.220 233 A C 2.305 179.901 177.584 0.021 0.000 1.170 233 A CA 2.086 54.135 52.037 0.020 0.000 0.636 233 A CB -0.476 18.513 19.000 -0.019 0.000 0.810 233 A HN 0.414 nan 8.150 nan 0.000 0.448 234 S N -1.194 114.525 115.700 0.031 0.000 2.556 234 S HA 0.086 4.605 4.470 0.081 0.000 0.216 234 S C 0.573 175.187 174.600 0.022 0.000 0.970 234 S CA -0.555 57.652 58.200 0.011 0.000 0.912 234 S CB -0.209 62.984 63.200 -0.012 0.000 0.790 234 S HN 0.676 nan 8.310 nan 0.000 0.504 235 H N 2.809 121.872 119.070 -0.011 0.000 2.964 235 H HA 0.082 4.686 4.556 0.081 0.000 0.328 235 H C 0.894 176.214 175.328 -0.012 0.000 1.030 235 H CA 0.583 56.625 56.048 -0.010 0.000 1.445 235 H CB 0.640 30.398 29.762 -0.008 0.000 1.449 235 H HN 0.132 nan 8.280 nan 0.000 0.581 236 E N 2.975 123.164 120.200 -0.019 0.000 2.347 236 E HA -0.121 4.278 4.350 0.081 0.000 0.196 236 E C 0.685 177.390 176.600 0.174 0.000 1.008 236 E CA 0.720 57.152 56.400 0.052 0.000 0.852 236 E CB 0.267 29.940 29.700 -0.044 0.000 0.783 236 E HN 0.596 nan 8.360 nan 0.000 0.505 237 D N -0.417 120.247 120.400 0.440 0.000 2.395 237 D HA 0.034 4.723 4.640 0.081 0.000 0.213 237 D C -0.530 175.788 176.300 0.029 0.000 1.110 237 D CA -0.009 54.106 54.000 0.193 0.000 0.835 237 D CB 0.669 41.575 40.800 0.176 0.000 0.965 237 D HN -0.197 nan 8.370 nan 0.000 0.505 238 V N 1.921 121.860 119.914 0.042 0.000 2.385 238 V HA 0.112 4.280 4.120 0.081 0.000 0.269 238 V C 0.893 176.971 176.094 -0.026 0.000 1.043 238 V CA -0.364 61.910 62.300 -0.043 0.000 0.906 238 V CB 1.632 33.439 31.823 -0.027 0.000 0.995 238 V HN 0.049 nan 8.190 nan 0.000 0.467 239 D N 3.356 123.718 120.400 -0.064 0.000 2.277 239 D HA 0.018 4.706 4.640 0.081 0.000 0.208 239 D C 0.758 177.025 176.300 -0.055 0.000 0.962 239 D CA 0.975 54.939 54.000 -0.060 0.000 0.865 239 D CB 0.653 41.396 40.800 -0.095 0.000 0.939 239 D HN 0.518 nan 8.370 nan 0.000 0.510 240 K N 0.106 120.473 120.400 -0.054 0.000 2.562 240 K HA 0.366 4.734 4.320 0.081 0.000 0.267 240 K C -2.170 174.414 176.600 -0.027 0.000 0.938 240 K CA -0.592 55.662 56.287 -0.056 0.000 0.840 240 K CB 2.947 35.390 32.500 -0.096 0.000 1.390 240 K HN -0.195 nan 8.250 nan 0.000 0.428 241 V N 2.568 122.471 119.914 -0.018 0.000 2.525 241 V HA 0.766 4.935 4.120 0.081 0.000 0.299 241 V C -1.328 174.792 176.094 0.042 0.000 1.034 241 V CA -0.320 61.994 62.300 0.024 0.000 0.863 241 V CB 1.373 33.215 31.823 0.031 0.000 0.999 241 V HN 0.870 nan 8.190 nan 0.000 0.423 242 A N 6.893 129.763 122.820 0.082 0.000 2.271 242 A HA 0.819 5.187 4.320 0.081 0.000 0.317 242 A C -1.150 176.538 177.584 0.174 0.000 1.245 242 A CA -0.414 51.685 52.037 0.103 0.000 0.857 242 A CB 0.680 19.756 19.000 0.126 0.000 1.175 242 A HN 1.064 nan 8.150 nan 0.000 0.512 243 F N 2.135 122.095 119.950 0.017 0.000 2.508 243 F HA 0.728 5.303 4.527 0.080 0.000 0.325 243 F C -0.261 175.552 175.800 0.023 0.000 1.090 243 F CA -0.100 57.911 58.000 0.018 0.000 0.945 243 F CB 2.388 41.392 39.000 0.005 0.000 1.156 243 F HN 0.392 nan 8.300 nan 0.000 0.463 244 T N 4.280 118.205 114.554 -1.048 0.000 3.050 244 T HA 0.716 5.115 4.350 0.081 0.000 0.310 244 T C -0.229 173.819 174.700 -1.087 0.000 0.978 244 T CA -0.306 61.347 62.100 -0.745 0.000 1.013 244 T CB 0.963 69.652 68.868 -0.297 0.000 1.000 244 T HN 1.115 nan 8.240 nan 0.000 0.447 245 G N 2.017 110.334 108.800 -0.806 0.000 2.498 245 G HA2 0.485 4.493 3.960 0.081 0.000 0.181 245 G HA3 0.485 4.493 3.960 0.081 0.000 0.181 245 G C -0.585 174.294 174.900 -0.036 0.000 1.169 245 G CA -0.199 44.646 45.100 -0.425 0.000 0.992 245 G HN 0.920 nan 8.290 nan 0.000 0.490 246 S N -0.243 115.533 115.700 0.125 0.000 2.585 246 S HA 0.420 4.939 4.470 0.081 0.000 0.273 246 S C 1.306 176.027 174.600 0.202 0.000 1.339 246 S CA 1.028 59.289 58.200 0.102 0.000 1.028 246 S CB 1.304 64.550 63.200 0.077 0.000 0.906 246 S HN 0.801 nan 8.310 nan 0.000 0.528 247 T N 1.207 115.850 114.554 0.149 0.000 2.833 247 T HA -0.109 4.290 4.350 0.081 0.000 0.269 247 T C 1.583 176.316 174.700 0.055 0.000 1.054 247 T CA 1.555 63.732 62.100 0.128 0.000 1.135 247 T CB -0.441 68.498 68.868 0.118 0.000 0.869 247 T HN 0.831 nan 8.240 nan 0.000 0.466 248 E N 0.491 120.719 120.200 0.048 0.000 2.038 248 E HA -0.146 4.252 4.350 0.081 0.000 0.195 248 E C 1.933 178.511 176.600 -0.037 0.000 1.000 248 E CA 1.096 57.500 56.400 0.008 0.000 0.803 248 E CB -0.021 29.692 29.700 0.022 0.000 0.750 248 E HN 0.280 nan 8.360 nan 0.000 0.448 249 I N 0.611 121.160 120.570 -0.035 0.000 2.546 249 I HA -0.081 4.138 4.170 0.081 0.000 0.255 249 I C 2.476 178.325 176.117 -0.447 0.000 1.163 249 I CA 1.158 62.348 61.300 -0.183 0.000 1.457 249 I CB -1.642 36.300 38.000 -0.097 0.000 1.092 249 I HN 0.196 nan 8.210 nan 0.000 0.434 250 G N 0.922 109.536 108.800 -0.310 0.000 2.450 250 G HA2 -0.237 3.772 3.960 0.081 0.000 0.220 250 G HA3 -0.237 3.772 3.960 0.081 0.000 0.220 250 G C 1.924 176.702 174.900 -0.204 0.000 1.130 250 G CA 0.325 45.247 45.100 -0.297 0.000 0.760 250 G HN 0.326 nan 8.290 nan 0.000 0.557 251 R N -0.318 120.099 120.500 -0.139 0.000 2.073 251 R HA 0.027 4.415 4.340 0.081 0.000 0.229 251 R C 2.692 178.917 176.300 -0.125 0.000 1.120 251 R CA 1.003 57.041 56.100 -0.104 0.000 0.967 251 R CB -0.476 29.780 30.300 -0.073 0.000 0.862 251 R HN 0.299 nan 8.270 nan 0.000 0.436 252 V N 1.767 121.589 119.914 -0.153 0.000 2.287 252 V HA -0.280 3.889 4.120 0.081 0.000 0.248 252 V C 2.365 178.364 176.094 -0.159 0.000 1.053 252 V CA 1.583 63.798 62.300 -0.142 0.000 1.027 252 V CB -0.502 31.232 31.823 -0.148 0.000 0.646 252 V HN 0.245 nan 8.190 nan 0.000 0.447 253 I N 0.030 120.452 120.570 -0.247 0.000 2.163 253 I HA -0.286 3.932 4.170 0.081 0.000 0.243 253 I C 2.604 178.643 176.117 -0.130 0.000 1.085 253 I CA 2.106 63.272 61.300 -0.224 0.000 1.347 253 I CB -1.219 36.562 38.000 -0.365 0.000 1.044 253 I HN 0.410 nan 8.210 nan 0.000 0.408 254 Q N 0.888 120.616 119.800 -0.120 0.000 2.096 254 Q HA -0.140 4.248 4.340 0.081 0.000 0.204 254 Q C 2.210 178.171 176.000 -0.064 0.000 0.982 254 Q CA 1.817 57.574 55.803 -0.076 0.000 0.850 254 Q CB -0.136 28.562 28.738 -0.067 0.000 0.901 254 Q HN 0.352 nan 8.270 nan 0.000 0.422 255 V N 0.484 120.356 119.914 -0.069 0.000 2.358 255 V HA -0.198 3.970 4.120 0.081 0.000 0.246 255 V C 2.256 178.320 176.094 -0.051 0.000 1.047 255 V CA 1.620 63.886 62.300 -0.056 0.000 1.035 255 V CB -1.203 30.586 31.823 -0.056 0.000 0.658 255 V HN 0.516 nan 8.190 nan 0.000 0.452 256 A N -0.034 122.752 122.820 -0.057 0.000 2.019 256 A HA -0.055 4.313 4.320 0.081 0.000 0.219 256 A C 2.357 179.919 177.584 -0.036 0.000 1.164 256 A CA 1.942 53.952 52.037 -0.046 0.000 0.644 256 A CB -0.542 18.428 19.000 -0.050 0.000 0.805 256 A HN 0.558 nan 8.150 nan 0.000 0.449 257 A N -0.649 122.147 122.820 -0.039 0.000 1.898 257 A HA 0.246 4.615 4.320 0.081 0.000 0.214 257 A C 2.343 179.910 177.584 -0.029 0.000 1.183 257 A CA 1.553 53.572 52.037 -0.030 0.000 0.622 257 A CB -1.154 17.826 19.000 -0.034 0.000 0.824 257 A HN 0.669 nan 8.150 nan 0.000 0.444 258 G N -0.990 107.790 108.800 -0.033 0.000 2.448 258 G HA2 -0.021 3.988 3.960 0.081 0.000 0.218 258 G HA3 -0.021 3.988 3.960 0.081 0.000 0.218 258 G C 1.595 176.478 174.900 -0.028 0.000 1.135 258 G CA 1.174 46.256 45.100 -0.031 0.000 0.784 258 G HN 0.469 nan 8.290 nan 0.000 0.543 259 S N 0.243 115.926 115.700 -0.029 0.000 2.496 259 S HA 0.013 4.531 4.470 0.081 0.000 0.224 259 S C 2.411 176.996 174.600 -0.025 0.000 0.996 259 S CA 0.990 59.174 58.200 -0.027 0.000 0.927 259 S CB 0.073 63.256 63.200 -0.030 0.000 0.774 259 S HN 0.621 nan 8.310 nan 0.000 0.524 260 S N 3.178 118.864 115.700 -0.023 0.000 2.755 260 S HA 0.095 4.613 4.470 0.081 0.000 0.165 260 S C 0.947 175.538 174.600 -0.015 0.000 0.723 260 S CA 0.264 58.452 58.200 -0.020 0.000 0.867 260 S CB -0.508 62.683 63.200 -0.016 0.000 0.740 260 S HN 0.495 nan 8.310 nan 0.000 0.568 261 N N 1.173 119.868 118.700 -0.008 0.000 2.291 261 N HA 0.285 5.074 4.740 0.081 0.000 0.244 261 N C 0.076 175.580 175.510 -0.010 0.000 1.216 261 N CA -0.173 52.874 53.050 -0.005 0.000 0.879 261 N CB -0.402 38.089 38.487 0.007 0.000 1.167 261 N HN 0.591 nan 8.380 nan 0.000 0.515 262 L N -0.268 120.946 121.223 -0.016 0.000 3.843 262 L HA -0.302 4.087 4.340 0.081 0.000 0.411 262 L C 0.083 176.939 176.870 -0.023 0.000 1.205 262 L CA 0.690 55.518 54.840 -0.021 0.000 0.945 262 L CB -1.659 40.388 42.059 -0.021 0.000 1.929 262 L HN 0.478 nan 8.230 nan 0.000 0.934 263 K N 0.341 120.728 120.400 -0.021 0.000 2.336 263 K HA 0.420 4.789 4.320 0.081 0.000 0.262 263 K C 0.401 176.978 176.600 -0.037 0.000 0.992 263 K CA -0.576 55.695 56.287 -0.026 0.000 0.927 263 K CB 0.599 33.088 32.500 -0.017 0.000 0.956 263 K HN 0.123 nan 8.250 nan 0.000 0.495 264 R N 0.609 121.079 120.500 -0.051 0.000 2.641 264 R HA 0.229 4.617 4.340 0.081 0.000 0.269 264 R C -0.737 175.526 176.300 -0.063 0.000 1.074 264 R CA -0.417 55.643 56.100 -0.066 0.000 1.133 264 R CB 0.894 31.136 30.300 -0.097 0.000 1.029 264 R HN 0.414 nan 8.270 nan 0.000 0.488 265 V N 1.481 121.359 119.914 -0.060 0.000 2.668 265 V HA 0.299 4.467 4.120 0.081 0.000 0.304 265 V C -0.434 175.637 176.094 -0.040 0.000 1.071 265 V CA -0.892 61.383 62.300 -0.041 0.000 0.894 265 V CB 2.023 33.828 31.823 -0.029 0.000 1.008 265 V HN 0.979 nan 8.190 nan 0.000 0.425 266 T N 3.053 117.592 114.554 -0.024 0.000 2.824 266 T HA 0.854 5.253 4.350 0.081 0.000 0.282 266 T C -0.915 173.818 174.700 0.056 0.000 0.993 266 T CA -0.651 61.440 62.100 -0.015 0.000 0.967 266 T CB 1.520 70.354 68.868 -0.056 0.000 0.960 266 T HN 0.382 nan 8.240 nan 0.000 0.441 267 L N 2.415 123.675 121.223 0.063 0.000 2.356 267 L HA 0.545 4.934 4.340 0.081 0.000 0.277 267 L C 0.232 177.150 176.870 0.080 0.000 0.996 267 L CA -0.716 54.206 54.840 0.137 0.000 0.822 267 L CB 2.025 44.167 42.059 0.139 0.000 1.256 267 L HN 0.688 nan 8.230 nan 0.000 0.413 268 E N 4.900 125.141 120.200 0.068 0.000 2.546 268 E HA 0.377 4.776 4.350 0.081 0.000 0.227 268 E C -0.835 175.770 176.600 0.008 0.000 1.009 268 E CA -0.314 56.085 56.400 -0.002 0.000 0.813 268 E CB 0.974 30.668 29.700 -0.010 0.000 1.269 268 E HN 0.499 nan 8.360 nan 0.000 0.432 269 L N 0.301 121.563 121.223 0.065 0.000 2.469 269 L HA 0.471 4.859 4.340 0.081 0.000 0.253 269 L C 1.419 178.330 176.870 0.068 0.000 1.143 269 L CA -0.724 54.178 54.840 0.104 0.000 0.804 269 L CB 0.405 42.576 42.059 0.187 0.000 1.214 269 L HN 0.320 nan 8.230 nan 0.000 0.476 270 G N -1.091 107.721 108.800 0.019 0.000 2.468 270 G HA2 0.542 4.551 3.960 0.081 0.000 0.264 270 G HA3 0.542 4.551 3.960 0.081 0.000 0.264 270 G C -0.248 174.442 174.900 -0.349 0.000 1.460 270 G CA 0.230 45.256 45.100 -0.123 0.000 1.060 270 G HN 0.903 nan 8.290 nan 0.000 0.543 271 G N -2.283 106.115 108.800 -0.671 0.000 2.495 271 G HA2 0.464 4.472 3.960 0.081 0.000 0.294 271 G HA3 0.464 4.472 3.960 0.081 0.000 0.294 271 G C -1.423 173.125 174.900 -0.587 0.000 1.397 271 G CA -0.497 44.078 45.100 -0.875 0.000 0.790 271 G HN 0.546 nan 8.290 nan 0.000 0.486 272 K N 0.717 120.986 120.400 -0.218 0.000 3.206 272 K HA 0.472 4.840 4.320 0.081 0.000 0.180 272 K C 0.105 176.762 176.600 0.095 0.000 1.088 272 K CA -0.368 55.911 56.287 -0.013 0.000 0.872 272 K CB 0.071 32.643 32.500 0.119 0.000 0.976 272 K HN 0.414 nan 8.250 nan 0.000 0.564 273 S N 3.932 119.700 115.700 0.113 0.000 2.629 273 S HA 0.054 4.573 4.470 0.081 0.000 0.302 273 S C -2.265 172.477 174.600 0.238 0.000 1.244 273 S CA -0.497 57.826 58.200 0.204 0.000 1.098 273 S CB 0.016 63.397 63.200 0.302 0.000 0.858 273 S HN 0.389 nan 8.310 nan 0.000 0.502 274 P HA 0.164 nan 4.420 nan 0.000 0.281 274 P C -0.951 176.563 177.300 0.357 0.000 1.252 274 P CA -0.506 62.822 63.100 0.379 0.000 0.778 274 P CB 0.423 32.342 31.700 0.365 0.000 0.895 275 N N 3.844 122.744 118.700 0.333 0.000 2.626 275 N HA 0.304 5.093 4.740 0.081 0.000 0.242 275 N C -0.545 175.130 175.510 0.275 0.000 1.005 275 N CA -0.622 52.604 53.050 0.293 0.000 0.905 275 N CB 0.327 38.862 38.487 0.080 0.000 1.128 275 N HN 0.301 nan 8.380 nan 0.000 0.512 276 I N 4.385 125.121 120.570 0.277 0.000 2.337 276 I HA 0.226 4.444 4.170 0.081 0.000 0.291 276 I C -0.101 176.177 176.117 0.268 0.000 1.046 276 I CA -0.566 60.856 61.300 0.204 0.000 1.324 276 I CB 0.782 38.792 38.000 0.018 0.000 1.409 276 I HN 0.374 nan 8.210 nan 0.000 0.494 277 I N 7.158 127.868 120.570 0.233 0.000 2.330 277 I HA 0.300 4.519 4.170 0.081 0.000 0.286 277 I C 0.306 176.588 176.117 0.276 0.000 1.025 277 I CA -0.509 60.896 61.300 0.175 0.000 1.197 277 I CB 0.851 38.754 38.000 -0.162 0.000 1.358 277 I HN 0.491 nan 8.210 nan 0.000 0.467 278 M N 3.680 123.459 119.600 0.298 0.000 2.202 278 M HA 0.134 4.662 4.480 0.081 0.000 0.316 278 M C 1.738 178.129 176.300 0.151 0.000 1.138 278 M CA 0.076 55.532 55.300 0.259 0.000 1.151 278 M CB 0.676 33.419 32.600 0.238 0.000 1.422 278 M HN 0.669 nan 8.290 nan 0.000 0.471 279 S N 0.533 116.284 115.700 0.085 0.000 2.399 279 S HA -0.165 4.353 4.470 0.081 0.000 0.231 279 S C 0.829 175.481 174.600 0.088 0.000 1.022 279 S CA 1.454 59.688 58.200 0.056 0.000 0.983 279 S CB -0.555 62.654 63.200 0.014 0.000 0.803 279 S HN 0.748 nan 8.310 nan 0.000 0.480 280 D N 2.008 122.470 120.400 0.103 0.000 2.328 280 D HA 0.394 5.082 4.640 0.081 0.000 0.226 280 D C 0.588 176.972 176.300 0.140 0.000 1.066 280 D CA 0.210 54.273 54.000 0.105 0.000 0.861 280 D CB -0.429 40.424 40.800 0.087 0.000 0.912 280 D HN 0.553 nan 8.370 nan 0.000 0.521 281 A N 0.430 123.359 122.820 0.181 0.000 2.406 281 A HA 0.205 4.573 4.320 0.081 0.000 0.243 281 A C -0.069 177.657 177.584 0.237 0.000 1.082 281 A CA -0.390 51.797 52.037 0.250 0.000 0.786 281 A CB 0.030 19.223 19.000 0.321 0.000 1.029 281 A HN 0.175 nan 8.150 nan 0.000 0.495 282 D N 1.585 122.160 120.400 0.291 0.000 2.348 282 D HA 0.198 4.887 4.640 0.081 0.000 0.259 282 D C 1.117 177.585 176.300 0.280 0.000 1.296 282 D CA -0.169 53.986 54.000 0.260 0.000 0.931 282 D CB 0.231 41.199 40.800 0.279 0.000 1.067 282 D HN 0.434 nan 8.370 nan 0.000 0.503 283 M N 3.331 123.052 119.600 0.201 0.000 2.110 283 M HA -0.223 4.306 4.480 0.081 0.000 0.257 283 M C 1.220 177.607 176.300 0.145 0.000 1.071 283 M CA 1.863 57.267 55.300 0.173 0.000 1.096 283 M CB -0.300 32.373 32.600 0.121 0.000 1.300 283 M HN 0.462 nan 8.290 nan 0.000 0.411 284 D N -1.135 119.351 120.400 0.143 0.000 2.106 284 D HA -0.262 4.426 4.640 0.081 0.000 0.191 284 D C 1.858 178.287 176.300 0.215 0.000 0.997 284 D CA 1.598 55.677 54.000 0.132 0.000 0.834 284 D CB -0.679 40.200 40.800 0.132 0.000 0.956 284 D HN 0.661 nan 8.370 nan 0.000 0.448 285 W N 1.496 122.838 121.300 0.071 0.000 2.355 285 W HA -0.179 4.528 4.660 0.079 0.000 0.309 285 W C 2.287 178.877 176.519 0.119 0.000 1.206 285 W CA 1.401 58.818 57.345 0.119 0.000 1.284 285 W CB -0.045 29.526 29.460 0.184 0.000 1.145 285 W HN -0.034 nan 8.180 nan 0.000 0.502 286 A N 0.308 123.217 122.820 0.149 0.000 1.908 286 A HA -0.219 4.150 4.320 0.081 0.000 0.218 286 A C 1.983 179.458 177.584 -0.181 0.000 1.181 286 A CA 2.310 54.214 52.037 -0.222 0.000 0.627 286 A CB -1.193 17.830 19.000 0.039 0.000 0.818 286 A HN 0.180 nan 8.150 nan 0.000 0.445 287 V N -0.163 119.696 119.914 -0.091 0.000 2.307 287 V HA -0.221 3.947 4.120 0.081 0.000 0.245 287 V C 2.634 178.609 176.094 -0.198 0.000 1.045 287 V CA 2.417 64.543 62.300 -0.290 0.000 1.024 287 V CB -0.667 30.945 31.823 -0.352 0.000 0.651 287 V HN 0.701 nan 8.190 nan 0.000 0.449 288 E N -0.127 119.979 120.200 -0.158 0.000 2.077 288 E HA -0.200 4.199 4.350 0.081 0.000 0.193 288 E C 2.259 178.773 176.600 -0.143 0.000 0.989 288 E CA 1.309 57.633 56.400 -0.128 0.000 0.800 288 E CB -0.214 29.430 29.700 -0.093 0.000 0.746 288 E HN 0.485 nan 8.360 nan 0.000 0.452 289 Q N -0.395 119.193 119.800 -0.353 0.000 2.123 289 Q HA 0.053 4.441 4.340 0.081 0.000 0.199 289 Q C 2.117 178.016 176.000 -0.169 0.000 0.966 289 Q CA 1.334 56.949 55.803 -0.313 0.000 0.845 289 Q CB -0.431 28.035 28.738 -0.454 0.000 0.907 289 Q HN 0.376 nan 8.270 nan 0.000 0.439 290 A N 0.105 122.785 122.820 -0.233 0.000 1.972 290 A HA -0.225 4.143 4.320 0.081 0.000 0.219 290 A C 1.916 179.494 177.584 -0.010 0.000 1.169 290 A CA 1.876 53.828 52.037 -0.141 0.000 0.635 290 A CB -0.696 18.359 19.000 0.092 0.000 0.810 290 A HN 0.473 nan 8.150 nan 0.000 0.446 291 H N -1.631 117.440 119.070 0.001 0.000 2.326 291 H HA -0.116 4.489 4.556 0.081 0.000 0.301 291 H C 1.709 177.194 175.328 0.262 0.000 1.081 291 H CA 2.097 58.252 56.048 0.179 0.000 1.334 291 H CB -0.400 29.390 29.762 0.047 0.000 1.385 291 H HN 0.467 nan 8.280 nan 0.000 0.504 292 F N 0.790 120.766 119.950 0.042 0.000 2.102 292 F HA -0.149 4.426 4.527 0.080 0.000 0.298 292 F C 2.545 178.309 175.800 -0.060 0.000 1.105 292 F CA 1.456 59.461 58.000 0.008 0.000 1.239 292 F CB -0.658 38.309 39.000 -0.056 0.000 0.991 292 F HN 0.297 nan 8.300 nan 0.000 0.474 293 A N 0.317 122.968 122.820 -0.282 0.000 1.958 293 A HA -0.233 4.135 4.320 0.081 0.000 0.221 293 A C 2.128 179.407 177.584 -0.507 0.000 1.178 293 A CA 2.256 53.889 52.037 -0.674 0.000 0.642 293 A CB -1.033 17.272 19.000 -1.159 0.000 0.816 293 A HN 0.620 nan 8.150 nan 0.000 0.453 294 L N -3.186 117.797 121.223 -0.400 0.000 2.347 294 L HA 0.282 4.671 4.340 0.081 0.000 0.196 294 L C 2.033 178.606 176.870 -0.495 0.000 1.072 294 L CA 0.693 55.261 54.840 -0.454 0.000 0.817 294 L CB -0.029 41.686 42.059 -0.574 0.000 1.029 294 L HN 0.275 nan 8.230 nan 0.000 0.478 295 F N -0.407 119.359 119.950 -0.307 0.000 2.451 295 F HA -0.067 4.508 4.527 0.081 0.000 0.299 295 F C 1.005 176.690 175.800 -0.191 0.000 1.101 295 F CA 0.261 58.094 58.000 -0.279 0.000 1.436 295 F CB -0.528 38.200 39.000 -0.453 0.000 1.074 295 F HN -0.052 nan 8.300 nan 0.000 0.553 296 F N 2.182 121.982 119.950 -0.251 0.000 2.623 296 F HA -0.076 4.500 4.527 0.081 0.000 0.383 296 F C 1.198 176.894 175.800 -0.174 0.000 1.077 296 F CA -0.054 57.785 58.000 -0.269 0.000 1.268 296 F CB 0.029 38.643 39.000 -0.643 0.000 1.053 296 F HN 0.117 nan 8.300 nan 0.000 0.571 297 N N 3.668 121.844 118.700 -0.875 0.000 2.738 297 N HA -0.303 4.485 4.740 0.081 0.000 0.249 297 N C -0.061 175.192 175.510 -0.429 0.000 1.047 297 N CA 1.355 53.934 53.050 -0.786 0.000 0.707 297 N CB -0.961 36.864 38.487 -1.103 0.000 0.937 297 N HN 0.789 nan 8.380 nan 0.000 0.545 298 Q N -2.222 117.429 119.800 -0.248 0.000 2.494 298 Q HA -0.175 4.213 4.340 0.081 0.000 0.266 298 Q C 1.266 177.171 176.000 -0.159 0.000 1.053 298 Q CA 2.191 57.913 55.803 -0.136 0.000 1.029 298 Q CB -1.825 26.830 28.738 -0.138 0.000 1.423 298 Q HN 1.200 nan 8.270 nan 0.000 0.516 299 G N -1.069 107.591 108.800 -0.234 0.000 2.189 299 G HA2 -0.409 3.600 3.960 0.081 0.000 0.267 299 G HA3 -0.409 3.600 3.960 0.081 0.000 0.267 299 G C 0.182 174.814 174.900 -0.446 0.000 0.975 299 G CA 0.464 45.381 45.100 -0.306 0.000 0.644 299 G HN 0.464 nan 8.290 nan 0.000 0.537 300 Q N 0.031 119.570 119.800 -0.434 0.000 3.184 300 Q HA 0.459 4.848 4.340 0.081 0.000 0.288 300 Q C -0.115 175.438 176.000 -0.744 0.000 1.412 300 Q CA -0.018 55.422 55.803 -0.606 0.000 0.991 300 Q CB 0.349 29.035 28.738 -0.086 0.000 1.688 300 Q HN 0.348 nan 8.270 nan 0.000 0.554 301 C N 0.203 118.947 119.300 -0.926 0.000 2.431 301 C HA 0.263 4.772 4.460 0.081 0.000 0.321 301 C C 1.954 176.770 174.990 -0.291 0.000 1.202 301 C CA -0.898 57.926 59.018 -0.324 0.000 1.398 301 C CB 0.112 27.845 27.740 -0.011 0.000 2.047 301 C HN 0.983 nan 8.230 nan 0.000 0.465 302 C N 1.525 120.953 119.300 0.213 0.000 2.403 302 C HA -0.090 4.419 4.460 0.081 0.000 0.277 302 C C 1.783 177.001 174.990 0.380 0.000 1.248 302 C CA 1.461 60.775 59.018 0.494 0.000 1.762 302 C CB -2.390 25.601 27.740 0.418 0.000 2.014 302 C HN 0.969 nan 8.230 nan 0.000 0.486 303 C N 1.113 120.659 119.300 0.410 0.000 2.548 303 C HA 0.773 5.282 4.460 0.081 0.000 0.297 303 C C 1.125 176.368 174.990 0.422 0.000 1.422 303 C CA -0.894 58.389 59.018 0.441 0.000 1.785 303 C CB -2.454 25.671 27.740 0.642 0.000 2.593 303 C HN 0.732 nan 8.230 nan 0.000 0.545 304 A N 0.922 123.882 122.820 0.235 0.000 2.511 304 A HA 0.485 4.853 4.320 0.081 0.000 0.242 304 A C 1.120 178.768 177.584 0.106 0.000 1.069 304 A CA 0.747 52.850 52.037 0.110 0.000 0.763 304 A CB -0.025 18.914 19.000 -0.100 0.000 1.001 304 A HN 1.171 nan 8.150 nan 0.000 0.498 305 G N 1.629 110.388 108.800 -0.068 0.000 3.008 305 G HA2 0.323 4.332 3.960 0.081 0.000 0.272 305 G HA3 0.323 4.332 3.960 0.081 0.000 0.272 305 G C 0.888 175.701 174.900 -0.145 0.000 0.764 305 G CA 0.383 45.407 45.100 -0.127 0.000 2.029 305 G HN 1.136 nan 8.290 nan 0.000 0.587 306 S N 0.620 116.271 115.700 -0.081 0.000 2.650 306 S HA 0.150 4.668 4.470 0.081 0.000 0.219 306 S C 0.997 175.527 174.600 -0.117 0.000 0.960 306 S CA -0.179 57.950 58.200 -0.119 0.000 0.925 306 S CB 0.352 63.490 63.200 -0.104 0.000 0.775 306 S HN 0.415 nan 8.310 nan 0.000 0.525 307 R N 1.765 122.203 120.500 -0.103 0.000 2.607 307 R HA 0.237 4.625 4.340 0.081 0.000 0.278 307 R C -1.202 174.944 176.300 -0.257 0.000 1.637 307 R CA -0.082 55.877 56.100 -0.236 0.000 1.325 307 R CB 1.145 31.332 30.300 -0.189 0.000 1.211 307 R HN 0.170 nan 8.270 nan 0.000 0.565 308 T N 3.579 117.999 114.554 -0.223 0.000 2.863 308 T HA 0.234 4.633 4.350 0.081 0.000 0.299 308 T C 0.007 174.624 174.700 -0.139 0.000 0.973 308 T CA -0.017 62.010 62.100 -0.122 0.000 0.994 308 T CB -0.294 68.537 68.868 -0.060 0.000 0.961 308 T HN 0.141 nan 8.240 nan 0.000 0.552 309 F N 2.423 122.377 119.950 0.006 0.000 2.438 309 F HA 0.405 4.981 4.527 0.081 0.000 0.356 309 F C 0.461 176.387 175.800 0.211 0.000 1.099 309 F CA -0.691 57.368 58.000 0.098 0.000 1.185 309 F CB 0.655 39.593 39.000 -0.104 0.000 1.115 309 F HN 0.174 nan 8.300 nan 0.000 0.526 310 V N 3.219 123.412 119.914 0.466 0.000 2.588 310 V HA 0.276 4.445 4.120 0.081 0.000 0.304 310 V C -0.238 175.884 176.094 0.046 0.000 1.042 310 V CA -1.151 61.262 62.300 0.188 0.000 0.877 310 V CB 1.627 33.315 31.823 -0.225 0.000 0.996 310 V HN 0.625 nan 8.190 nan 0.000 0.425 311 Q N 2.687 122.281 119.800 -0.343 0.000 2.330 311 Q HA 0.020 4.408 4.340 0.081 0.000 0.279 311 Q C 1.466 177.290 176.000 -0.294 0.000 1.024 311 Q CA 0.777 56.094 55.803 -0.810 0.000 0.900 311 Q CB 0.789 29.229 28.738 -0.496 0.000 1.221 311 Q HN 0.887 nan 8.270 nan 0.000 0.396 312 E N 2.326 122.350 120.200 -0.295 0.000 2.114 312 E HA -0.332 4.067 4.350 0.081 0.000 0.199 312 E C 0.389 176.980 176.600 -0.014 0.000 1.008 312 E CA 1.755 58.089 56.400 -0.110 0.000 0.810 312 E CB -0.148 29.470 29.700 -0.137 0.000 0.739 312 E HN 0.700 nan 8.360 nan 0.000 0.456 313 D N 1.158 121.532 120.400 -0.044 0.000 2.221 313 D HA -0.128 4.560 4.640 0.081 0.000 0.204 313 D C 2.037 178.364 176.300 0.046 0.000 0.982 313 D CA 1.586 55.587 54.000 0.001 0.000 0.857 313 D CB -0.125 40.668 40.800 -0.011 0.000 0.934 313 D HN 0.646 nan 8.370 nan 0.000 0.475 314 I N -3.582 117.024 120.570 0.059 0.000 4.081 314 I HA 0.186 4.404 4.170 0.081 0.000 0.333 314 I C 1.757 177.969 176.117 0.158 0.000 1.413 314 I CA -0.569 60.792 61.300 0.102 0.000 1.110 314 I CB -0.077 37.984 38.000 0.102 0.000 1.082 314 I HN -0.242 nan 8.210 nan 0.000 0.402 315 Y N 2.901 123.221 120.300 0.033 0.000 2.053 315 Y HA -0.314 4.284 4.550 0.081 0.000 0.277 315 Y C 2.166 178.140 175.900 0.123 0.000 1.159 315 Y CA 2.388 60.526 58.100 0.065 0.000 1.125 315 Y CB -0.122 38.349 38.460 0.018 0.000 0.969 315 Y HN 0.227 nan 8.280 nan 0.000 0.492 316 D N -0.016 120.527 120.400 0.239 0.000 2.104 316 D HA -0.237 4.451 4.640 0.081 0.000 0.194 316 D C 2.076 178.402 176.300 0.044 0.000 0.994 316 D CA 1.839 55.919 54.000 0.133 0.000 0.830 316 D CB -0.449 40.440 40.800 0.149 0.000 0.959 316 D HN 0.620 nan 8.370 nan 0.000 0.452 317 E N -0.379 119.861 120.200 0.067 0.000 2.072 317 E HA -0.168 4.230 4.350 0.081 0.000 0.191 317 E C 2.113 178.722 176.600 0.015 0.000 0.985 317 E CA 0.429 56.852 56.400 0.038 0.000 0.801 317 E CB -0.174 29.560 29.700 0.055 0.000 0.750 317 E HN 0.191 nan 8.360 nan 0.000 0.452 318 F N 0.895 120.796 119.950 -0.081 0.000 2.075 318 F HA -0.234 4.341 4.527 0.081 0.000 0.297 318 F C 2.133 177.844 175.800 -0.149 0.000 1.113 318 F CA 1.530 59.467 58.000 -0.105 0.000 1.218 318 F CB -0.374 38.561 39.000 -0.108 0.000 0.984 318 F HN -0.130 nan 8.300 nan 0.000 0.472 319 V N 0.659 120.564 119.914 -0.015 0.000 2.324 319 V HA -0.354 3.814 4.120 0.081 0.000 0.250 319 V C 2.409 178.420 176.094 -0.139 0.000 1.060 319 V CA 2.372 64.598 62.300 -0.124 0.000 1.042 319 V CB -0.849 30.809 31.823 -0.276 0.000 0.650 319 V HN 0.478 nan 8.190 nan 0.000 0.450 320 E N 0.035 120.168 120.200 -0.113 0.000 2.058 320 E HA -0.249 4.150 4.350 0.081 0.000 0.194 320 E C 2.524 179.041 176.600 -0.138 0.000 0.997 320 E CA 1.403 57.746 56.400 -0.096 0.000 0.801 320 E CB -0.065 29.599 29.700 -0.060 0.000 0.746 320 E HN 0.501 nan 8.360 nan 0.000 0.450 321 R N -0.027 120.356 120.500 -0.195 0.000 2.092 321 R HA -0.053 4.335 4.340 0.081 0.000 0.231 321 R C 2.605 178.732 176.300 -0.288 0.000 1.119 321 R CA 1.342 57.300 56.100 -0.237 0.000 0.970 321 R CB -0.154 29.981 30.300 -0.274 0.000 0.864 321 R HN 0.112 nan 8.270 nan 0.000 0.440 322 S N 0.450 115.927 115.700 -0.371 0.000 2.368 322 S HA -0.093 4.426 4.470 0.081 0.000 0.225 322 S C 2.117 176.634 174.600 -0.138 0.000 1.030 322 S CA 1.170 59.197 58.200 -0.288 0.000 0.999 322 S CB -0.152 62.872 63.200 -0.292 0.000 0.844 322 S HN 0.072 nan 8.310 nan 0.000 0.459 323 V N 2.054 121.895 119.914 -0.120 0.000 2.358 323 V HA -0.168 4.000 4.120 0.081 0.000 0.246 323 V C 2.663 178.694 176.094 -0.106 0.000 1.047 323 V CA 1.612 63.862 62.300 -0.082 0.000 1.035 323 V CB -1.236 30.546 31.823 -0.069 0.000 0.658 323 V HN 0.537 nan 8.190 nan 0.000 0.452 324 A N 0.378 123.122 122.820 -0.128 0.000 1.902 324 A HA -0.256 4.113 4.320 0.081 0.000 0.217 324 A C 2.316 179.797 177.584 -0.171 0.000 1.181 324 A CA 2.173 54.132 52.037 -0.130 0.000 0.623 324 A CB -0.516 18.409 19.000 -0.125 0.000 0.818 324 A HN 0.449 nan 8.150 nan 0.000 0.443 325 R N 0.122 120.483 120.500 -0.233 0.000 2.092 325 R HA 0.031 4.420 4.340 0.081 0.000 0.231 325 R C 2.122 178.194 176.300 -0.380 0.000 1.119 325 R CA 1.800 57.679 56.100 -0.368 0.000 0.970 325 R CB -0.855 29.131 30.300 -0.522 0.000 0.864 325 R HN 0.391 nan 8.270 nan 0.000 0.440 326 A N 0.618 123.290 122.820 -0.246 0.000 1.902 326 A HA -0.139 4.229 4.320 0.081 0.000 0.217 326 A C 1.965 179.443 177.584 -0.177 0.000 1.181 326 A CA 1.637 53.533 52.037 -0.235 0.000 0.623 326 A CB -0.381 18.545 19.000 -0.123 0.000 0.818 326 A HN 0.364 nan 8.150 nan 0.000 0.443 327 K N 0.348 120.670 120.400 -0.130 0.000 2.148 327 K HA -0.088 4.281 4.320 0.081 0.000 0.204 327 K C 2.096 178.639 176.600 -0.095 0.000 1.050 327 K CA 1.450 57.681 56.287 -0.093 0.000 0.942 327 K CB -0.125 32.328 32.500 -0.078 0.000 0.724 327 K HN 0.660 nan 8.250 nan 0.000 0.446 328 S N 0.607 116.233 115.700 -0.124 0.000 2.562 328 S HA -0.026 4.493 4.470 0.081 0.000 0.221 328 S C 0.879 175.418 174.600 -0.102 0.000 0.975 328 S CA -0.190 57.944 58.200 -0.111 0.000 0.918 328 S CB -0.095 63.027 63.200 -0.129 0.000 0.772 328 S HN 0.145 nan 8.310 nan 0.000 0.531 329 R N 2.134 122.563 120.500 -0.118 0.000 2.399 329 R HA 0.228 4.616 4.340 0.081 0.000 0.324 329 R C -0.950 175.333 176.300 -0.029 0.000 1.030 329 R CA -0.178 55.879 56.100 -0.071 0.000 0.984 329 R CB 0.146 30.388 30.300 -0.096 0.000 0.961 329 R HN 0.149 nan 8.270 nan 0.000 0.433 330 V N 6.390 126.301 119.914 -0.005 0.000 2.450 330 V HA 0.039 4.208 4.120 0.081 0.000 0.281 330 V C 0.235 176.353 176.094 0.040 0.000 1.019 330 V CA -0.020 62.286 62.300 0.010 0.000 1.062 330 V CB 0.990 32.821 31.823 0.013 0.000 0.979 330 V HN 0.457 nan 8.190 nan 0.000 0.477 331 V N 4.987 124.928 119.914 0.045 0.000 2.483 331 V HA 1.007 5.175 4.120 0.081 0.000 0.295 331 V C 0.659 176.786 176.094 0.055 0.000 1.035 331 V CA 0.549 62.910 62.300 0.102 0.000 0.896 331 V CB 1.098 33.000 31.823 0.132 0.000 0.986 331 V HN 1.139 nan 8.190 nan 0.000 0.447 332 G N 3.279 112.157 108.800 0.129 0.000 2.360 332 G HA2 0.135 4.143 3.960 0.081 0.000 0.276 332 G HA3 0.135 4.143 3.960 0.081 0.000 0.276 332 G C -1.061 173.936 174.900 0.161 0.000 1.256 332 G CA -0.859 44.233 45.100 -0.014 0.000 0.890 332 G HN 0.613 nan 8.290 nan 0.000 0.486 333 N N 2.159 120.894 118.700 0.058 0.000 2.414 333 N HA 0.196 4.985 4.740 0.081 0.000 0.268 333 N C -0.487 175.099 175.510 0.127 0.000 1.286 333 N CA -1.124 52.005 53.050 0.131 0.000 0.896 333 N CB 1.375 39.917 38.487 0.093 0.000 1.093 333 N HN 0.154 nan 8.380 nan 0.000 0.480 334 P HA -0.165 nan 4.420 nan 0.000 0.219 334 P C 0.813 178.069 177.300 -0.073 0.000 1.146 334 P CA 1.337 64.401 63.100 -0.059 0.000 0.808 334 P CB -0.046 31.523 31.700 -0.219 0.000 0.779 335 F N -0.242 119.749 119.950 0.069 0.000 2.780 335 F HA 0.056 4.632 4.527 0.081 0.000 0.299 335 F C 1.151 176.974 175.800 0.038 0.000 1.146 335 F CA -0.181 57.839 58.000 0.034 0.000 1.428 335 F CB -0.258 38.713 39.000 -0.049 0.000 1.115 335 F HN -0.114 nan 8.300 nan 0.000 0.583 336 D N -0.176 120.340 120.400 0.193 0.000 2.277 336 D HA 0.029 4.717 4.640 0.081 0.000 0.249 336 D C 1.247 177.620 176.300 0.121 0.000 1.134 336 D CA 0.075 54.151 54.000 0.126 0.000 0.863 336 D CB 1.364 42.214 40.800 0.084 0.000 1.143 336 D HN 0.052 nan 8.370 nan 0.000 0.458 337 S N 3.582 119.349 115.700 0.110 0.000 2.419 337 S HA -0.212 4.306 4.470 0.081 0.000 0.235 337 S C 1.372 176.018 174.600 0.076 0.000 1.019 337 S CA 0.901 59.163 58.200 0.103 0.000 0.982 337 S CB -0.211 63.041 63.200 0.086 0.000 0.789 337 S HN 0.560 nan 8.310 nan 0.000 0.490 338 K N 1.040 121.476 120.400 0.060 0.000 2.366 338 K HA 0.090 4.459 4.320 0.081 0.000 0.198 338 K C 0.206 176.836 176.600 0.050 0.000 1.044 338 K CA 0.558 56.872 56.287 0.045 0.000 0.973 338 K CB -0.321 32.197 32.500 0.029 0.000 0.767 338 K HN 0.263 nan 8.250 nan 0.000 0.475 339 T N 2.337 116.928 114.554 0.062 0.000 2.829 339 T HA 0.005 4.403 4.350 0.081 0.000 0.293 339 T C 0.794 175.537 174.700 0.073 0.000 0.970 339 T CA 0.365 62.506 62.100 0.068 0.000 1.168 339 T CB 0.862 69.778 68.868 0.080 0.000 0.911 339 T HN 0.206 nan 8.240 nan 0.000 0.535 340 E N 1.835 122.079 120.200 0.073 0.000 2.251 340 E HA 0.044 4.442 4.350 0.081 0.000 0.194 340 E C 0.838 177.488 176.600 0.084 0.000 0.964 340 E CA 0.204 56.657 56.400 0.089 0.000 0.868 340 E CB 0.536 30.291 29.700 0.090 0.000 0.828 340 E HN 0.572 nan 8.360 nan 0.000 0.481 341 Q N 0.338 120.186 119.800 0.080 0.000 2.321 341 Q HA 0.432 4.821 4.340 0.081 0.000 0.270 341 Q C -0.565 175.490 176.000 0.092 0.000 1.032 341 Q CA -0.613 55.232 55.803 0.070 0.000 0.784 341 Q CB 1.800 30.595 28.738 0.094 0.000 1.264 341 Q HN 0.125 nan 8.270 nan 0.000 0.448 342 G N 3.120 111.922 108.800 0.005 0.000 2.606 342 G HA2 0.598 4.607 3.960 0.081 0.000 0.262 342 G HA3 0.598 4.607 3.960 0.081 0.000 0.262 342 G C -2.537 172.183 174.900 -0.301 0.000 1.394 342 G CA -1.013 44.059 45.100 -0.046 0.000 1.044 342 G HN 0.571 nan 8.290 nan 0.000 0.553 343 P HA 0.233 nan 4.420 nan 0.000 0.279 343 P C -0.891 176.175 177.300 -0.389 0.000 1.276 343 P CA -0.421 62.120 63.100 -0.932 0.000 0.801 343 P CB 1.054 31.981 31.700 -1.288 0.000 1.127 344 Q N -0.096 119.565 119.800 -0.232 0.000 2.382 344 Q HA 0.072 4.460 4.340 0.081 0.000 0.229 344 Q C 1.393 177.258 176.000 -0.225 0.000 1.006 344 Q CA -0.463 55.251 55.803 -0.149 0.000 0.916 344 Q CB 0.298 29.021 28.738 -0.026 0.000 1.235 344 Q HN 0.218 nan 8.270 nan 0.000 0.512 345 V N 0.591 120.289 119.914 -0.360 0.000 2.282 345 V HA -0.236 3.932 4.120 0.081 0.000 0.249 345 V C 0.415 176.239 176.094 -0.451 0.000 1.057 345 V CA 2.864 64.866 62.300 -0.496 0.000 1.032 345 V CB -0.064 31.120 31.823 -1.066 0.000 0.645 345 V HN 1.007 nan 8.190 nan 0.000 0.447 346 D N -3.262 116.783 120.400 -0.590 0.000 2.677 346 D HA 0.144 4.832 4.640 0.081 0.000 0.298 346 D C 0.699 176.315 176.300 -1.140 0.000 1.250 346 D CA -0.053 53.483 54.000 -0.773 0.000 0.888 346 D CB 0.867 41.360 40.800 -0.512 0.000 1.397 346 D HN 0.057 nan 8.370 nan 0.000 0.461 347 E N -0.564 118.886 120.200 -1.250 0.000 2.077 347 E HA -0.151 4.248 4.350 0.081 0.000 0.193 347 E C 1.298 177.756 176.600 -0.237 0.000 0.989 347 E CA 1.856 57.800 56.400 -0.762 0.000 0.800 347 E CB -0.067 29.444 29.700 -0.314 0.000 0.746 347 E HN 0.530 nan 8.360 nan 0.000 0.452 348 T N 1.125 115.546 114.554 -0.222 0.000 2.665 348 T HA -0.185 4.213 4.350 0.081 0.000 0.268 348 T C 1.798 176.457 174.700 -0.067 0.000 1.035 348 T CA 1.254 63.288 62.100 -0.109 0.000 1.151 348 T CB -0.162 68.645 68.868 -0.102 0.000 0.862 348 T HN 0.158 nan 8.240 nan 0.000 0.438 349 Q N -0.151 119.582 119.800 -0.112 0.000 2.119 349 Q HA 0.025 4.413 4.340 0.081 0.000 0.201 349 Q C 2.071 178.099 176.000 0.048 0.000 0.972 349 Q CA 0.855 56.645 55.803 -0.023 0.000 0.847 349 Q CB -0.569 28.112 28.738 -0.095 0.000 0.903 349 Q HN 0.543 nan 8.270 nan 0.000 0.433 350 F N 2.013 121.863 119.950 -0.167 0.000 2.095 350 F HA -0.238 4.337 4.527 0.081 0.000 0.298 350 F C 1.927 177.721 175.800 -0.009 0.000 1.104 350 F CA 1.684 59.638 58.000 -0.077 0.000 1.232 350 F CB -0.001 38.936 39.000 -0.105 0.000 0.987 350 F HN -0.042 nan 8.300 nan 0.000 0.475 351 K N -0.001 120.355 120.400 -0.074 0.000 2.062 351 K HA -0.149 4.220 4.320 0.081 0.000 0.205 351 K C 2.172 178.710 176.600 -0.104 0.000 1.051 351 K CA 1.274 57.464 56.287 -0.161 0.000 0.941 351 K CB -0.286 32.179 32.500 -0.058 0.000 0.719 351 K HN 0.162 nan 8.250 nan 0.000 0.440 352 K N 1.297 121.679 120.400 -0.030 0.000 2.103 352 K HA -0.137 4.232 4.320 0.081 0.000 0.207 352 K C 2.038 178.700 176.600 0.104 0.000 1.048 352 K CA 1.182 57.477 56.287 0.013 0.000 0.930 352 K CB -0.034 32.519 32.500 0.089 0.000 0.716 352 K HN 0.146 nan 8.250 nan 0.000 0.444 353 I N 0.596 121.232 120.570 0.111 0.000 2.333 353 I HA -0.220 3.999 4.170 0.081 0.000 0.246 353 I C 1.760 177.925 176.117 0.080 0.000 1.106 353 I CA 0.837 62.234 61.300 0.163 0.000 1.411 353 I CB 0.109 38.178 38.000 0.115 0.000 1.082 353 I HN 0.198 nan 8.210 nan 0.000 0.420 354 L N 0.487 121.671 121.223 -0.065 0.000 2.131 354 L HA -0.131 4.258 4.340 0.081 0.000 0.210 354 L C 2.564 179.407 176.870 -0.046 0.000 1.092 354 L CA 1.385 56.167 54.840 -0.098 0.000 0.759 354 L CB -1.098 40.807 42.059 -0.256 0.000 0.903 354 L HN 0.344 nan 8.230 nan 0.000 0.435 355 G N -1.077 107.677 108.800 -0.076 0.000 2.421 355 G HA2 -0.279 3.729 3.960 0.081 0.000 0.216 355 G HA3 -0.279 3.729 3.960 0.081 0.000 0.216 355 G C 1.374 176.204 174.900 -0.117 0.000 1.171 355 G CA 0.522 45.546 45.100 -0.126 0.000 0.775 355 G HN 0.293 nan 8.290 nan 0.000 0.543 356 Y N 0.581 120.862 120.300 -0.032 0.000 2.274 356 Y HA -0.007 4.592 4.550 0.081 0.000 0.290 356 Y C 2.756 178.621 175.900 -0.059 0.000 1.145 356 Y CA 0.644 58.715 58.100 -0.048 0.000 1.203 356 Y CB -0.048 38.389 38.460 -0.039 0.000 0.984 356 Y HN 0.129 nan 8.280 nan 0.000 0.533 357 I N -0.267 120.401 120.570 0.162 0.000 2.179 357 I HA -0.341 3.877 4.170 0.081 0.000 0.242 357 I C 2.342 178.571 176.117 0.186 0.000 1.088 357 I CA 1.289 62.724 61.300 0.225 0.000 1.357 357 I CB -0.452 37.683 38.000 0.224 0.000 1.051 357 I HN 0.274 nan 8.210 nan 0.000 0.409 358 N N 0.773 119.528 118.700 0.092 0.000 2.084 358 N HA -0.156 4.633 4.740 0.081 0.000 0.190 358 N C 1.816 177.346 175.510 0.033 0.000 1.030 358 N CA 1.989 55.075 53.050 0.060 0.000 0.849 358 N CB -0.283 38.209 38.487 0.008 0.000 1.012 358 N HN 0.243 nan 8.380 nan 0.000 0.423 359 T N -0.430 114.118 114.554 -0.010 0.000 2.803 359 T HA -0.081 4.317 4.350 0.081 0.000 0.269 359 T C 1.704 176.374 174.700 -0.050 0.000 1.052 359 T CA 1.323 63.404 62.100 -0.032 0.000 1.136 359 T CB -0.635 68.203 68.868 -0.050 0.000 0.864 359 T HN 0.426 nan 8.240 nan 0.000 0.467 360 G N 1.501 110.229 108.800 -0.121 0.000 2.404 360 G HA2 -0.161 3.848 3.960 0.081 0.000 0.215 360 G HA3 -0.161 3.848 3.960 0.081 0.000 0.215 360 G C 1.618 176.499 174.900 -0.033 0.000 1.174 360 G CA 0.636 45.534 45.100 -0.338 0.000 0.780 360 G HN 0.410 nan 8.290 nan 0.000 0.537 361 K N -0.152 120.353 120.400 0.175 0.000 2.057 361 K HA -0.052 4.317 4.320 0.081 0.000 0.207 361 K C 2.591 179.255 176.600 0.106 0.000 1.049 361 K CA 1.300 57.718 56.287 0.219 0.000 0.931 361 K CB -0.173 32.443 32.500 0.192 0.000 0.714 361 K HN 0.189 nan 8.250 nan 0.000 0.440 362 Q N 1.063 120.899 119.800 0.061 0.000 2.135 362 Q HA -0.148 4.241 4.340 0.081 0.000 0.204 362 Q C 1.099 177.115 176.000 0.026 0.000 0.981 362 Q CA 1.597 57.421 55.803 0.034 0.000 0.856 362 Q CB 0.163 28.909 28.738 0.013 0.000 0.902 362 Q HN 0.328 nan 8.270 nan 0.000 0.425 363 E N -2.107 118.103 120.200 0.016 0.000 2.502 363 E HA 0.115 4.514 4.350 0.081 0.000 0.194 363 E C 0.651 177.268 176.600 0.027 0.000 1.062 363 E CA 0.403 56.810 56.400 0.011 0.000 0.867 363 E CB 0.422 30.117 29.700 -0.009 0.000 0.888 363 E HN 0.498 nan 8.360 nan 0.000 0.510 364 G N 1.070 109.900 108.800 0.051 0.000 2.184 364 G HA2 -0.248 3.760 3.960 0.081 0.000 0.206 364 G HA3 -0.248 3.760 3.960 0.081 0.000 0.206 364 G C 0.373 175.332 174.900 0.099 0.000 0.995 364 G CA -0.160 44.980 45.100 0.066 0.000 0.651 364 G HN 0.427 nan 8.290 nan 0.000 0.511 365 A N 0.406 123.300 122.820 0.124 0.000 2.477 365 A HA 0.575 4.943 4.320 0.081 0.000 0.246 365 A C 0.625 178.404 177.584 0.324 0.000 1.078 365 A CA 0.682 52.851 52.037 0.219 0.000 0.770 365 A CB 0.347 19.451 19.000 0.172 0.000 1.011 365 A HN 0.521 nan 8.150 nan 0.000 0.494 366 K N 2.718 123.274 120.400 0.261 0.000 2.292 366 K HA 0.235 4.604 4.320 0.081 0.000 0.290 366 K C -0.624 176.014 176.600 0.064 0.000 1.083 366 K CA -0.460 55.922 56.287 0.159 0.000 0.918 366 K CB 0.052 32.626 32.500 0.124 0.000 1.089 366 K HN 0.585 nan 8.250 nan 0.000 0.473 367 L N 6.549 127.736 121.223 -0.059 0.000 2.456 367 L HA 0.063 4.451 4.340 0.081 0.000 0.277 367 L C 0.282 177.024 176.870 -0.213 0.000 1.124 367 L CA 0.592 55.210 54.840 -0.371 0.000 0.880 367 L CB 0.347 42.221 42.059 -0.309 0.000 1.192 367 L HN 0.778 nan 8.230 nan 0.000 0.463 368 L N 4.791 125.881 121.223 -0.222 0.000 2.416 368 L HA 0.193 4.581 4.340 0.081 0.000 0.216 368 L C 0.460 177.267 176.870 -0.105 0.000 1.098 368 L CA 0.200 54.972 54.840 -0.112 0.000 0.840 368 L CB -0.177 41.843 42.059 -0.066 0.000 0.981 368 L HN 0.833 nan 8.230 nan 0.000 0.462 369 C N -3.429 115.786 119.300 -0.142 0.000 3.275 369 C HA 0.714 5.223 4.460 0.081 0.000 0.345 369 C C 0.703 175.637 174.990 -0.092 0.000 1.257 369 C CA -0.753 58.210 59.018 -0.092 0.000 1.203 369 C CB 0.738 28.444 27.740 -0.058 0.000 1.492 369 C HN 0.604 nan 8.230 nan 0.000 0.484 370 G N 0.920 109.692 108.800 -0.047 0.000 2.566 370 G HA2 0.343 4.351 3.960 0.081 0.000 0.280 370 G HA3 0.343 4.351 3.960 0.081 0.000 0.280 370 G C 1.323 176.206 174.900 -0.028 0.000 1.225 370 G CA 2.372 47.464 45.100 -0.014 0.000 0.966 370 G HN 3.356 nan 8.290 nan 0.000 0.560 371 G N -2.190 106.614 108.800 0.007 0.000 2.179 371 G HA2 0.455 4.464 3.960 0.081 0.000 0.220 371 G HA3 0.455 4.464 3.960 0.081 0.000 0.220 371 G C 1.347 176.275 174.900 0.046 0.000 0.990 371 G CA 0.936 46.050 45.100 0.023 0.000 0.646 371 G HN 2.577 nan 8.290 nan 0.000 0.517 372 G N -1.010 107.820 108.800 0.050 0.000 2.866 372 G HA2 0.664 4.673 3.960 0.081 0.000 0.289 372 G HA3 0.664 4.673 3.960 0.081 0.000 0.289 372 G C -0.270 174.683 174.900 0.088 0.000 1.396 372 G CA -0.834 44.297 45.100 0.051 0.000 0.848 372 G HN 0.607 nan 8.290 nan 0.000 0.515 373 I N 1.149 121.784 120.570 0.108 0.000 2.710 373 I HA 0.183 4.402 4.170 0.081 0.000 0.286 373 I C 1.468 177.686 176.117 0.168 0.000 1.181 373 I CA 0.117 61.540 61.300 0.205 0.000 1.430 373 I CB 1.606 39.757 38.000 0.252 0.000 1.367 373 I HN 0.562 nan 8.210 nan 0.000 0.577 374 A N 5.306 128.252 122.820 0.210 0.000 2.267 374 A HA 0.654 5.023 4.320 0.081 0.000 0.213 374 A C 0.684 178.293 177.584 0.042 0.000 1.192 374 A CA 0.579 52.694 52.037 0.129 0.000 0.851 374 A CB 0.093 19.192 19.000 0.165 0.000 0.881 374 A HN 0.832 nan 8.150 nan 0.000 0.494 375 A N -0.381 122.477 122.820 0.064 0.000 2.594 375 A HA 0.485 4.854 4.320 0.081 0.000 0.296 375 A C -0.091 177.499 177.584 0.011 0.000 1.056 375 A CA 0.084 52.087 52.037 -0.056 0.000 0.693 375 A CB 0.297 19.108 19.000 -0.315 0.000 1.278 375 A HN 0.129 nan 8.150 nan 0.000 0.408 376 D N 0.440 120.823 120.400 -0.027 0.000 2.224 376 D HA -0.048 4.640 4.640 0.081 0.000 0.205 376 D C 0.718 176.996 176.300 -0.037 0.000 0.965 376 D CA 0.685 54.682 54.000 -0.005 0.000 0.852 376 D CB 0.428 41.220 40.800 -0.013 0.000 0.947 376 D HN 0.466 nan 8.370 nan 0.000 0.494 377 R N 0.324 120.779 120.500 -0.076 0.000 2.514 377 R HA 0.465 4.854 4.340 0.081 0.000 0.301 377 R C 0.104 176.371 176.300 -0.055 0.000 0.962 377 R CA 0.316 56.357 56.100 -0.099 0.000 0.882 377 R CB 1.535 31.778 30.300 -0.096 0.000 1.143 377 R HN 0.158 nan 8.270 nan 0.000 0.452 378 G N 2.126 110.791 108.800 -0.225 0.000 2.756 378 G HA2 -0.278 3.731 3.960 0.081 0.000 0.678 378 G HA3 -0.278 3.731 3.960 0.081 0.000 0.678 378 G C -0.940 173.625 174.900 -0.558 0.000 1.349 378 G CA -0.572 44.324 45.100 -0.339 0.000 0.847 378 G HN 0.673 nan 8.290 nan 0.000 0.548 379 Y N -0.109 119.902 120.300 -0.481 0.000 2.880 379 Y HA 0.516 5.115 4.550 0.081 0.000 0.386 379 Y C 0.729 176.357 175.900 -0.454 0.000 1.172 379 Y CA -0.714 56.865 58.100 -0.869 0.000 1.770 379 Y CB -0.119 37.904 38.460 -0.729 0.000 1.809 379 Y HN 0.336 nan 8.280 nan 0.000 0.472 380 F N 1.485 121.395 119.950 -0.067 0.000 2.396 380 F HA 0.492 5.068 4.527 0.081 0.000 0.343 380 F C 0.195 176.154 175.800 0.266 0.000 1.104 380 F CA -0.981 57.076 58.000 0.095 0.000 1.161 380 F CB 0.676 39.691 39.000 0.025 0.000 1.146 380 F HN 0.025 nan 8.300 nan 0.000 0.522 381 I N 2.217 123.009 120.570 0.370 0.000 2.545 381 I HA 0.251 4.470 4.170 0.081 0.000 0.292 381 I C -0.671 175.579 176.117 0.222 0.000 1.040 381 I CA -0.997 60.481 61.300 0.297 0.000 1.068 381 I CB 2.093 40.242 38.000 0.248 0.000 1.251 381 I HN 0.513 nan 8.210 nan 0.000 0.424 382 Q N 5.835 125.740 119.800 0.175 0.000 2.352 382 Q HA 0.209 4.598 4.340 0.081 0.000 0.260 382 Q C -2.326 173.765 176.000 0.152 0.000 0.976 382 Q CA -1.574 54.309 55.803 0.133 0.000 0.881 382 Q CB 0.143 28.934 28.738 0.088 0.000 1.235 382 Q HN 0.244 nan 8.270 nan 0.000 0.419 383 P HA -0.040 nan 4.420 nan 0.000 0.260 383 P C -1.101 176.335 177.300 0.226 0.000 1.207 383 P CA 0.520 63.770 63.100 0.249 0.000 0.780 383 P CB 0.455 32.133 31.700 -0.038 0.000 0.789 384 T N 3.011 117.737 114.554 0.285 0.000 2.859 384 T HA 0.488 4.887 4.350 0.081 0.000 0.281 384 T C -0.170 174.631 174.700 0.169 0.000 1.005 384 T CA -0.426 61.759 62.100 0.142 0.000 1.025 384 T CB 0.999 69.941 68.868 0.123 0.000 0.977 384 T HN -0.055 nan 8.240 nan 0.000 0.458 385 V N 3.398 123.315 119.914 0.006 0.000 2.577 385 V HA 0.533 4.701 4.120 0.081 0.000 0.303 385 V C -1.168 174.836 176.094 -0.150 0.000 1.042 385 V CA -0.926 61.399 62.300 0.042 0.000 0.872 385 V CB 1.487 33.360 31.823 0.082 0.000 0.998 385 V HN 0.807 nan 8.190 nan 0.000 0.423 386 F N 2.234 122.214 119.950 0.049 0.000 2.458 386 F HA 0.784 5.360 4.527 0.081 0.000 0.336 386 F C 0.884 176.719 175.800 0.058 0.000 1.114 386 F CA -0.253 57.775 58.000 0.047 0.000 0.987 386 F CB 2.111 41.130 39.000 0.032 0.000 1.130 386 F HN 0.605 nan 8.300 nan 0.000 0.458 387 G N 0.693 109.625 108.800 0.220 0.000 2.491 387 G HA2 0.346 4.355 3.960 0.081 0.000 0.327 387 G HA3 0.346 4.355 3.960 0.081 0.000 0.327 387 G C -0.454 174.597 174.900 0.252 0.000 1.189 387 G CA -0.669 44.564 45.100 0.221 0.000 0.956 387 G HN 0.737 nan 8.290 nan 0.000 0.491 388 D N -1.066 119.524 120.400 0.315 0.000 2.701 388 D HA -0.166 4.522 4.640 0.081 0.000 0.235 388 D C 0.647 177.025 176.300 0.131 0.000 1.155 388 D CA 0.641 54.757 54.000 0.194 0.000 0.649 388 D CB -1.110 39.772 40.800 0.136 0.000 1.050 388 D HN 0.172 nan 8.370 nan 0.000 0.425 389 V N 0.623 120.614 119.914 0.127 0.000 2.811 389 V HA 0.042 4.210 4.120 0.081 0.000 0.302 389 V C 0.881 176.998 176.094 0.037 0.000 1.063 389 V CA 0.188 62.526 62.300 0.063 0.000 1.088 389 V CB 1.711 33.547 31.823 0.022 0.000 0.982 389 V HN 0.070 nan 8.190 nan 0.000 0.485 390 Q N 1.546 121.361 119.800 0.025 0.000 2.301 390 Q HA 0.322 4.711 4.340 0.081 0.000 0.267 390 Q C 0.371 176.389 176.000 0.030 0.000 1.035 390 Q CA -0.744 55.080 55.803 0.035 0.000 0.856 390 Q CB 1.674 30.433 28.738 0.036 0.000 1.337 390 Q HN 0.682 nan 8.270 nan 0.000 0.450 391 D N 1.227 121.662 120.400 0.059 0.000 2.190 391 D HA -0.132 4.557 4.640 0.081 0.000 0.200 391 D C 1.536 177.865 176.300 0.048 0.000 0.992 391 D CA 1.680 55.723 54.000 0.071 0.000 0.854 391 D CB -0.058 40.804 40.800 0.103 0.000 0.936 391 D HN 0.827 nan 8.370 nan 0.000 0.462 392 G N -0.116 108.707 108.800 0.039 0.000 2.484 392 G HA2 -0.070 3.939 3.960 0.081 0.000 0.218 392 G HA3 -0.070 3.939 3.960 0.081 0.000 0.218 392 G C 0.794 175.706 174.900 0.020 0.000 1.130 392 G CA -0.100 45.017 45.100 0.029 0.000 0.784 392 G HN 0.181 nan 8.290 nan 0.000 0.543 393 M N 0.735 120.341 119.600 0.011 0.000 2.252 393 M HA 0.108 4.637 4.480 0.081 0.000 0.333 393 M C 1.830 178.130 176.300 -0.000 0.000 1.111 393 M CA -0.014 55.284 55.300 -0.004 0.000 1.140 393 M CB 0.758 33.342 32.600 -0.027 0.000 1.538 393 M HN -0.071 nan 8.290 nan 0.000 0.448 394 T N 2.359 116.917 114.554 0.007 0.000 2.708 394 T HA -0.114 4.285 4.350 0.081 0.000 0.266 394 T C 1.558 176.278 174.700 0.034 0.000 1.037 394 T CA 1.759 63.888 62.100 0.048 0.000 1.146 394 T CB -0.445 68.471 68.868 0.081 0.000 0.865 394 T HN 0.771 nan 8.240 nan 0.000 0.435 395 I N -0.193 120.356 120.570 -0.034 0.000 2.850 395 I HA 0.123 4.342 4.170 0.081 0.000 0.266 395 I C 2.070 178.114 176.117 -0.122 0.000 1.257 395 I CA 0.973 62.199 61.300 -0.123 0.000 1.465 395 I CB -0.376 37.456 38.000 -0.281 0.000 1.091 395 I HN 0.088 nan 8.210 nan 0.000 0.467 396 A N 0.468 123.246 122.820 -0.070 0.000 2.390 396 A HA 0.274 4.643 4.320 0.081 0.000 0.232 396 A C 2.000 179.585 177.584 0.002 0.000 1.233 396 A CA -0.127 51.879 52.037 -0.052 0.000 0.907 396 A CB -0.003 18.970 19.000 -0.045 0.000 0.967 396 A HN 0.396 nan 8.150 nan 0.000 0.512 397 K N -0.353 120.059 120.400 0.019 0.000 2.443 397 K HA 0.157 4.525 4.320 0.081 0.000 0.200 397 K C -0.267 176.394 176.600 0.102 0.000 1.278 397 K CA 0.225 56.554 56.287 0.070 0.000 0.925 397 K CB 0.677 33.216 32.500 0.064 0.000 1.225 397 K HN 0.407 nan 8.250 nan 0.000 0.514 398 E N 1.984 122.214 120.200 0.049 0.000 2.216 398 E HA 0.086 4.485 4.350 0.081 0.000 0.279 398 E C -0.980 175.528 176.600 -0.153 0.000 0.997 398 E CA -0.280 56.141 56.400 0.036 0.000 0.817 398 E CB 1.859 31.640 29.700 0.135 0.000 1.096 398 E HN 0.088 nan 8.360 nan 0.000 0.393 399 E N 3.430 123.570 120.200 -0.099 0.000 2.220 399 E HA -0.004 4.395 4.350 0.081 0.000 0.272 399 E C 0.496 176.929 176.600 -0.277 0.000 1.099 399 E CA -0.052 56.250 56.400 -0.163 0.000 0.907 399 E CB 0.323 29.913 29.700 -0.183 0.000 1.022 399 E HN 0.524 nan 8.360 nan 0.000 0.428 400 I N 4.320 124.693 120.570 -0.328 0.000 2.333 400 I HA -0.122 4.097 4.170 0.081 0.000 0.246 400 I C 0.431 176.587 176.117 0.064 0.000 1.106 400 I CA 0.145 61.213 61.300 -0.386 0.000 1.411 400 I CB -0.023 37.768 38.000 -0.348 0.000 1.082 400 I HN 0.648 nan 8.210 nan 0.000 0.420 401 F N 1.548 121.422 119.950 -0.127 0.000 3.071 401 F HA -0.148 4.427 4.527 0.080 0.000 0.295 401 F C 0.500 176.299 175.800 -0.001 0.000 0.919 401 F CA 0.679 58.657 58.000 -0.036 0.000 1.050 401 F CB -1.556 37.469 39.000 0.042 0.000 1.040 401 F HN 0.191 nan 8.300 nan 0.000 0.692 402 G N -0.747 108.054 108.800 0.001 0.000 2.682 402 G HA2 0.639 4.647 3.960 0.081 0.000 0.290 402 G HA3 0.639 4.647 3.960 0.081 0.000 0.290 402 G C -2.905 171.935 174.900 -0.100 0.000 1.425 402 G CA -0.869 44.222 45.100 -0.014 0.000 0.807 402 G HN -0.169 nan 8.290 nan 0.000 0.482 403 P HA 0.195 nan 4.420 nan 0.000 0.237 403 P C -0.498 176.756 177.300 -0.077 0.000 1.701 403 P CA 0.071 63.124 63.100 -0.078 0.000 0.955 403 P CB 0.034 31.855 31.700 0.203 0.000 1.937 404 V N 2.869 122.677 119.914 -0.177 0.000 2.380 404 V HA 0.321 4.490 4.120 0.081 0.000 0.286 404 V C 0.342 176.357 176.094 -0.131 0.000 1.015 404 V CA -0.668 61.615 62.300 -0.028 0.000 0.834 404 V CB 1.908 33.782 31.823 0.085 0.000 1.009 404 V HN 0.283 nan 8.190 nan 0.000 0.428 405 M N 4.140 123.687 119.600 -0.089 0.000 2.233 405 M HA 0.565 5.094 4.480 0.081 0.000 0.355 405 M C -0.798 175.547 176.300 0.076 0.000 1.191 405 M CA -0.268 54.979 55.300 -0.088 0.000 1.101 405 M CB 1.365 33.939 32.600 -0.043 0.000 1.592 405 M HN 0.625 nan 8.290 nan 0.000 0.461 406 Q N 4.999 124.801 119.800 0.004 0.000 2.333 406 Q HA 0.574 4.963 4.340 0.081 0.000 0.268 406 Q C -1.339 174.654 176.000 -0.012 0.000 1.007 406 Q CA 0.004 55.822 55.803 0.024 0.000 0.810 406 Q CB 1.947 30.646 28.738 -0.065 0.000 1.264 406 Q HN 0.703 nan 8.270 nan 0.000 0.452 407 I N 3.991 124.595 120.570 0.057 0.000 2.355 407 I HA 0.362 4.580 4.170 0.081 0.000 0.288 407 I C -0.947 175.240 176.117 0.118 0.000 0.999 407 I CA -0.838 60.496 61.300 0.056 0.000 1.163 407 I CB 0.835 38.888 38.000 0.088 0.000 1.316 407 I HN 0.318 nan 8.210 nan 0.000 0.454 408 L N 6.589 127.830 121.223 0.030 0.000 2.334 408 L HA 0.538 4.927 4.340 0.081 0.000 0.270 408 L C -0.033 177.024 176.870 0.311 0.000 1.018 408 L CA -0.445 54.448 54.840 0.088 0.000 0.811 408 L CB 1.235 43.180 42.059 -0.190 0.000 1.271 408 L HN 0.460 nan 8.230 nan 0.000 0.443 409 K N 1.521 122.068 120.400 0.246 0.000 2.203 409 K HA 0.717 5.086 4.320 0.081 0.000 0.251 409 K C -1.509 175.273 176.600 0.303 0.000 0.944 409 K CA -0.481 55.911 56.287 0.175 0.000 0.829 409 K CB 1.517 33.804 32.500 -0.355 0.000 1.125 409 K HN 0.524 nan 8.250 nan 0.000 0.430 410 F N 0.675 120.685 119.950 0.100 0.000 2.662 410 F HA 0.445 5.021 4.527 0.082 0.000 0.312 410 F C 0.121 175.952 175.800 0.052 0.000 1.113 410 F CA -0.926 57.128 58.000 0.090 0.000 0.951 410 F CB 1.589 40.669 39.000 0.133 0.000 1.344 410 F HN 0.530 nan 8.300 nan 0.000 0.462 411 K N 0.051 120.507 120.400 0.093 0.000 2.267 411 K HA 0.210 4.578 4.320 0.081 0.000 0.213 411 K C 0.287 176.919 176.600 0.052 0.000 1.060 411 K CA 1.037 57.301 56.287 -0.037 0.000 0.935 411 K CB 0.217 32.727 32.500 0.016 0.000 1.096 411 K HN 0.898 nan 8.250 nan 0.000 0.468 412 T N -1.636 113.045 114.554 0.212 0.000 2.944 412 T HA 0.254 4.653 4.350 0.081 0.000 0.284 412 T C 1.210 176.102 174.700 0.319 0.000 1.010 412 T CA -0.792 61.429 62.100 0.201 0.000 1.025 412 T CB 1.459 70.392 68.868 0.110 0.000 1.079 412 T HN 0.222 nan 8.240 nan 0.000 0.516 413 I N 0.181 120.881 120.570 0.217 0.000 2.439 413 I HA -0.045 4.174 4.170 0.081 0.000 0.251 413 I C 2.033 178.245 176.117 0.159 0.000 1.139 413 I CA 1.214 62.633 61.300 0.198 0.000 1.438 413 I CB -0.029 38.055 38.000 0.139 0.000 1.085 413 I HN 0.731 nan 8.210 nan 0.000 0.427 414 E N 0.632 120.909 120.200 0.128 0.000 2.150 414 E HA -0.249 4.149 4.350 0.081 0.000 0.193 414 E C 1.921 178.564 176.600 0.072 0.000 0.985 414 E CA 1.049 57.529 56.400 0.134 0.000 0.814 414 E CB -0.167 29.588 29.700 0.091 0.000 0.752 414 E HN 0.518 nan 8.360 nan 0.000 0.466 415 E N 0.505 120.747 120.200 0.071 0.000 2.028 415 E HA -0.155 4.244 4.350 0.081 0.000 0.191 415 E C 2.093 178.653 176.600 -0.066 0.000 0.988 415 E CA 1.068 57.494 56.400 0.044 0.000 0.799 415 E CB -0.042 29.729 29.700 0.118 0.000 0.755 415 E HN 0.169 nan 8.360 nan 0.000 0.447 416 V N 0.653 120.459 119.914 -0.180 0.000 2.490 416 V HA -0.202 3.967 4.120 0.081 0.000 0.250 416 V C 2.316 178.128 176.094 -0.471 0.000 1.061 416 V CA 1.386 63.346 62.300 -0.566 0.000 1.064 416 V CB -0.043 31.073 31.823 -1.179 0.000 0.670 416 V HN 0.206 nan 8.190 nan 0.000 0.461 417 V N 0.740 120.510 119.914 -0.240 0.000 2.233 417 V HA -0.201 3.967 4.120 0.081 0.000 0.247 417 V C 2.710 178.705 176.094 -0.165 0.000 1.050 417 V CA 2.380 64.571 62.300 -0.181 0.000 1.010 417 V CB -1.543 30.232 31.823 -0.080 0.000 0.637 417 V HN 0.622 nan 8.190 nan 0.000 0.444 418 G N -0.543 108.193 108.800 -0.108 0.000 2.442 418 G HA2 -0.240 3.769 3.960 0.081 0.000 0.219 418 G HA3 -0.240 3.769 3.960 0.081 0.000 0.219 418 G C 1.747 176.599 174.900 -0.081 0.000 1.141 418 G CA 0.769 45.827 45.100 -0.070 0.000 0.763 418 G HN 0.461 nan 8.290 nan 0.000 0.554 419 R N 0.344 120.763 120.500 -0.135 0.000 2.073 419 R HA 0.135 4.523 4.340 0.081 0.000 0.229 419 R C 3.002 179.225 176.300 -0.127 0.000 1.120 419 R CA 1.009 57.051 56.100 -0.096 0.000 0.967 419 R CB -0.297 29.959 30.300 -0.074 0.000 0.862 419 R HN 0.340 nan 8.270 nan 0.000 0.436 420 A N 1.433 124.024 122.820 -0.382 0.000 1.930 420 A HA -0.126 4.242 4.320 0.081 0.000 0.217 420 A C 1.641 179.189 177.584 -0.060 0.000 1.175 420 A CA 1.292 53.163 52.037 -0.276 0.000 0.627 420 A CB -0.284 18.457 19.000 -0.432 0.000 0.815 420 A HN 0.204 nan 8.150 nan 0.000 0.443 421 N N 0.314 118.967 118.700 -0.079 0.000 2.354 421 N HA -0.076 4.712 4.740 0.081 0.000 0.179 421 N C 0.476 175.993 175.510 0.012 0.000 1.021 421 N CA 0.562 53.597 53.050 -0.024 0.000 0.887 421 N CB -0.589 37.873 38.487 -0.040 0.000 0.974 421 N HN 0.477 nan 8.380 nan 0.000 0.437 422 N N 0.940 119.648 118.700 0.014 0.000 2.605 422 N HA 0.040 4.829 4.740 0.081 0.000 0.282 422 N C -1.291 174.256 175.510 0.061 0.000 1.206 422 N CA 0.094 53.163 53.050 0.032 0.000 1.074 422 N CB -0.157 38.351 38.487 0.034 0.000 1.434 422 N HN -0.059 nan 8.380 nan 0.000 0.506 423 S N 0.393 116.126 115.700 0.055 0.000 2.565 423 S HA 0.242 4.761 4.470 0.081 0.000 0.274 423 S C 0.766 175.380 174.600 0.024 0.000 1.144 423 S CA -0.441 57.803 58.200 0.073 0.000 0.849 423 S CB 0.199 63.487 63.200 0.147 0.000 1.103 423 S HN 0.431 nan 8.310 nan 0.000 0.455 424 T N 0.838 115.356 114.554 -0.060 0.000 3.055 424 T HA 0.205 4.603 4.350 0.081 0.000 0.265 424 T C 0.552 175.130 174.700 -0.203 0.000 1.111 424 T CA 0.817 62.805 62.100 -0.188 0.000 1.118 424 T CB -0.481 68.177 68.868 -0.349 0.000 0.909 424 T HN 0.544 nan 8.240 nan 0.000 0.501 425 Y N 0.512 120.835 120.300 0.037 0.000 2.432 425 Y HA 0.592 5.190 4.550 0.080 0.000 0.322 425 Y C 1.267 177.192 175.900 0.042 0.000 1.246 425 Y CA -0.908 57.217 58.100 0.042 0.000 1.268 425 Y CB 1.636 40.126 38.460 0.050 0.000 1.276 425 Y HN 0.077 nan 8.280 nan 0.000 0.499 426 G N 0.870 109.807 108.800 0.229 0.000 5.569 426 G HA2 0.073 4.081 3.960 0.081 0.000 0.192 426 G HA3 0.073 4.081 3.960 0.081 0.000 0.192 426 G C -0.093 174.794 174.900 -0.021 0.000 0.708 426 G CA -0.267 44.884 45.100 0.085 0.000 0.628 426 G HN 0.558 nan 8.290 nan 0.000 0.345 427 L N 0.590 121.828 121.223 0.025 0.000 2.044 427 L HA 0.720 5.108 4.340 0.081 0.000 0.205 427 L C 1.128 177.961 176.870 -0.061 0.000 1.075 427 L CA 2.272 57.089 54.840 -0.038 0.000 0.747 427 L CB 0.022 42.106 42.059 0.042 0.000 0.903 427 L HN 0.458 nan 8.230 nan 0.000 0.435 428 A N -2.093 120.732 122.820 0.009 0.000 2.588 428 A HA 0.896 5.264 4.320 0.081 0.000 0.290 428 A C -1.445 176.161 177.584 0.036 0.000 1.136 428 A CA -0.123 51.892 52.037 -0.038 0.000 0.681 428 A CB 0.884 19.949 19.000 0.109 0.000 1.282 428 A HN 0.483 nan 8.150 nan 0.000 0.421 429 A N -1.161 121.676 122.820 0.028 0.000 2.601 429 A HA 0.995 5.364 4.320 0.081 0.000 0.291 429 A C -0.718 177.020 177.584 0.257 0.000 1.075 429 A CA 0.102 52.230 52.037 0.153 0.000 0.671 429 A CB 0.669 19.682 19.000 0.021 0.000 1.277 429 A HN 2.676 nan 8.150 nan 0.000 0.417 430 A N -0.185 122.862 122.820 0.379 0.000 2.572 430 A HA 0.808 5.177 4.320 0.081 0.000 0.295 430 A C -1.530 176.279 177.584 0.373 0.000 1.072 430 A CA -0.498 51.818 52.037 0.464 0.000 0.691 430 A CB 1.626 21.139 19.000 0.854 0.000 1.291 430 A HN 1.814 nan 8.150 nan 0.000 0.404 431 V N 1.215 121.303 119.914 0.290 0.000 2.733 431 V HA 0.569 4.738 4.120 0.081 0.000 0.306 431 V C -1.660 174.559 176.094 0.208 0.000 1.084 431 V CA -0.302 62.160 62.300 0.269 0.000 0.905 431 V CB 1.678 33.585 31.823 0.140 0.000 1.010 431 V HN 0.728 nan 8.190 nan 0.000 0.424 432 F N 2.771 122.824 119.950 0.173 0.000 2.427 432 F HA 0.797 5.373 4.527 0.082 0.000 0.348 432 F C 0.335 176.239 175.800 0.172 0.000 1.125 432 F CA -0.254 57.858 58.000 0.187 0.000 0.989 432 F CB 2.066 41.179 39.000 0.189 0.000 1.165 432 F HN 0.527 nan 8.300 nan 0.000 0.442 433 T N 1.804 116.509 114.554 0.252 0.000 2.775 433 T HA 0.315 4.714 4.350 0.081 0.000 0.320 433 T C -0.055 174.731 174.700 0.143 0.000 1.597 433 T CA -0.654 61.563 62.100 0.196 0.000 1.022 433 T CB 1.614 70.579 68.868 0.162 0.000 1.485 433 T HN 0.646 nan 8.240 nan 0.000 0.494 434 K N 0.397 120.870 120.400 0.121 0.000 2.360 434 K HA 0.210 4.578 4.320 0.081 0.000 0.196 434 K C -0.291 176.350 176.600 0.067 0.000 1.049 434 K CA -0.103 56.237 56.287 0.088 0.000 1.049 434 K CB 0.351 32.901 32.500 0.082 0.000 0.881 434 K HN 0.539 nan 8.250 nan 0.000 0.542 435 D N 0.888 121.332 120.400 0.073 0.000 2.277 435 D HA 0.023 4.712 4.640 0.081 0.000 0.249 435 D C 0.883 177.218 176.300 0.057 0.000 1.134 435 D CA -0.268 53.767 54.000 0.059 0.000 0.863 435 D CB 1.099 41.933 40.800 0.058 0.000 1.143 435 D HN -0.165 nan 8.370 nan 0.000 0.458 436 L N 4.094 125.344 121.223 0.045 0.000 1.970 436 L HA -0.144 4.244 4.340 0.081 0.000 0.212 436 L C 1.337 178.239 176.870 0.053 0.000 1.071 436 L CA 1.929 56.795 54.840 0.043 0.000 0.751 436 L CB -0.472 41.606 42.059 0.033 0.000 0.889 436 L HN 0.535 nan 8.230 nan 0.000 0.432 437 D N -0.343 120.087 120.400 0.050 0.000 2.149 437 D HA -0.195 4.494 4.640 0.081 0.000 0.198 437 D C 2.177 178.533 176.300 0.093 0.000 0.990 437 D CA 1.356 55.391 54.000 0.059 0.000 0.839 437 D CB -0.057 40.762 40.800 0.031 0.000 0.948 437 D HN 0.441 nan 8.370 nan 0.000 0.460 438 K N 0.533 120.984 120.400 0.085 0.000 2.057 438 K HA -0.002 4.367 4.320 0.081 0.000 0.206 438 K C 2.170 178.862 176.600 0.153 0.000 1.050 438 K CA 1.028 57.389 56.287 0.123 0.000 0.935 438 K CB -0.045 32.518 32.500 0.104 0.000 0.715 438 K HN 0.009 nan 8.250 nan 0.000 0.439 439 A N 1.918 124.803 122.820 0.108 0.000 1.902 439 A HA -0.181 4.188 4.320 0.081 0.000 0.217 439 A C 1.808 179.436 177.584 0.073 0.000 1.181 439 A CA 1.612 53.699 52.037 0.084 0.000 0.623 439 A CB -0.428 18.607 19.000 0.058 0.000 0.818 439 A HN 0.215 nan 8.150 nan 0.000 0.443 440 N N -1.598 117.152 118.700 0.082 0.000 2.216 440 N HA -0.125 4.664 4.740 0.081 0.000 0.183 440 N C 1.564 177.124 175.510 0.084 0.000 1.017 440 N CA 1.500 54.590 53.050 0.067 0.000 0.861 440 N CB -0.563 37.963 38.487 0.065 0.000 0.986 440 N HN 0.654 nan 8.380 nan 0.000 0.428 441 Y N 1.724 122.028 120.300 0.007 0.000 2.114 441 Y HA -0.069 4.531 4.550 0.082 0.000 0.284 441 Y C 2.181 178.078 175.900 -0.006 0.000 1.143 441 Y CA 1.419 59.521 58.100 0.003 0.000 1.135 441 Y CB -0.458 38.008 38.460 0.010 0.000 0.980 441 Y HN -0.045 nan 8.280 nan 0.000 0.499 442 L N -0.298 120.944 121.223 0.032 0.000 2.027 442 L HA -0.210 4.179 4.340 0.081 0.000 0.206 442 L C 2.726 179.531 176.870 -0.109 0.000 1.074 442 L CA 1.662 56.458 54.840 -0.073 0.000 0.745 442 L CB -0.962 41.123 42.059 0.043 0.000 0.898 442 L HN 0.386 nan 8.230 nan 0.000 0.433 443 S N -0.893 114.771 115.700 -0.059 0.000 2.419 443 S HA -0.296 4.222 4.470 0.081 0.000 0.233 443 S C 1.872 176.411 174.600 -0.102 0.000 1.016 443 S CA 1.460 59.614 58.200 -0.076 0.000 0.974 443 S CB -0.336 62.833 63.200 -0.052 0.000 0.786 443 S HN 0.518 nan 8.310 nan 0.000 0.492 444 Q N 0.913 120.645 119.800 -0.113 0.000 2.123 444 Q HA 0.172 4.560 4.340 0.081 0.000 0.196 444 Q C 2.255 178.163 176.000 -0.154 0.000 0.958 444 Q CA 0.892 56.627 55.803 -0.114 0.000 0.841 444 Q CB -0.413 28.267 28.738 -0.098 0.000 0.915 444 Q HN 0.680 nan 8.270 nan 0.000 0.455 445 A N 0.929 123.593 122.820 -0.260 0.000 1.929 445 A HA 0.065 4.434 4.320 0.081 0.000 0.216 445 A C 1.020 178.498 177.584 -0.177 0.000 1.176 445 A CA 0.210 52.078 52.037 -0.282 0.000 0.628 445 A CB -0.448 18.239 19.000 -0.521 0.000 0.816 445 A HN 0.374 nan 8.150 nan 0.000 0.444 446 L N 0.971 122.096 121.223 -0.163 0.000 2.513 446 L HA 0.018 4.407 4.340 0.081 0.000 0.272 446 L C 0.076 176.880 176.870 -0.109 0.000 1.187 446 L CA -0.039 54.723 54.840 -0.130 0.000 0.895 446 L CB 0.325 42.309 42.059 -0.126 0.000 1.147 446 L HN 0.426 nan 8.230 nan 0.000 0.483 447 Q N 3.621 123.381 119.800 -0.066 0.000 2.835 447 Q HA 0.499 4.887 4.340 0.081 0.000 0.235 447 Q C -0.392 175.478 176.000 -0.216 0.000 1.313 447 Q CA -0.261 55.546 55.803 0.007 0.000 1.053 447 Q CB 0.869 29.689 28.738 0.137 0.000 1.443 447 Q HN 0.696 nan 8.270 nan 0.000 0.576 448 A N -0.143 122.328 122.820 -0.581 0.000 2.515 448 A HA 0.681 5.050 4.320 0.081 0.000 0.298 448 A C 0.877 177.828 177.584 -1.055 0.000 1.059 448 A CA -0.460 51.169 52.037 -0.680 0.000 0.698 448 A CB 1.245 20.049 19.000 -0.326 0.000 1.289 448 A HN 0.566 nan 8.150 nan 0.000 0.404 449 G N 0.044 108.337 108.800 -0.844 0.000 2.443 449 G HA2 0.282 4.291 3.960 0.081 0.000 0.219 449 G HA3 0.282 4.291 3.960 0.081 0.000 0.219 449 G C 0.449 175.094 174.900 -0.426 0.000 1.131 449 G CA 1.617 46.363 45.100 -0.591 0.000 0.775 449 G HN 0.857 nan 8.290 nan 0.000 0.547 450 T N -0.036 114.249 114.554 -0.448 0.000 2.937 450 T HA 0.487 4.885 4.350 0.081 0.000 0.297 450 T C -1.069 173.234 174.700 -0.662 0.000 0.991 450 T CA -0.445 61.309 62.100 -0.577 0.000 0.990 450 T CB 2.629 71.062 68.868 -0.724 0.000 0.991 450 T HN -0.101 nan 8.240 nan 0.000 0.440 451 V N 3.908 123.487 119.914 -0.558 0.000 2.334 451 V HA 0.414 4.583 4.120 0.081 0.000 0.281 451 V C -0.523 175.368 176.094 -0.337 0.000 1.016 451 V CA -1.000 61.080 62.300 -0.367 0.000 0.832 451 V CB 1.013 32.707 31.823 -0.214 0.000 0.999 451 V HN 0.767 nan 8.190 nan 0.000 0.439 452 W N 3.466 124.671 121.300 -0.159 0.000 2.376 452 W HA 0.603 5.313 4.660 0.084 0.000 0.322 452 W C -0.515 175.923 176.519 -0.135 0.000 1.160 452 W CA -0.624 56.620 57.345 -0.168 0.000 1.218 452 W CB 1.887 31.208 29.460 -0.231 0.000 1.205 452 W HN 0.259 nan 8.180 nan 0.000 0.559 453 V N 4.757 124.717 119.914 0.076 0.000 2.350 453 V HA 0.111 4.279 4.120 0.081 0.000 0.285 453 V C 0.096 176.077 176.094 -0.188 0.000 1.014 453 V CA -0.886 61.379 62.300 -0.059 0.000 0.831 453 V CB 1.016 32.828 31.823 -0.018 0.000 1.000 453 V HN 0.668 nan 8.190 nan 0.000 0.433 454 N N 2.308 120.652 118.700 -0.593 0.000 2.747 454 N HA -0.172 4.617 4.740 0.081 0.000 0.249 454 N C -0.309 175.010 175.510 -0.318 0.000 1.107 454 N CA 1.247 53.865 53.050 -0.720 0.000 0.707 454 N CB -1.127 37.312 38.487 -0.080 0.000 1.054 454 N HN 1.063 nan 8.380 nan 0.000 0.555 455 C N -4.260 114.782 119.300 -0.430 0.000 3.249 455 C HA 0.799 5.308 4.460 0.081 0.000 0.350 455 C C -1.211 173.742 174.990 -0.062 0.000 1.431 455 C CA -1.346 57.648 59.018 -0.041 0.000 1.209 455 C CB 1.711 29.463 27.740 0.020 0.000 1.546 455 C HN 0.283 nan 8.230 nan 0.000 0.450 456 Y N -0.118 119.908 120.300 -0.456 0.000 2.592 456 Y HA 0.467 5.067 4.550 0.083 0.000 0.334 456 Y C -0.387 174.804 175.900 -1.182 0.000 1.136 456 Y CA 0.445 58.000 58.100 -0.909 0.000 1.042 456 Y CB 1.311 39.602 38.460 -0.281 0.000 1.325 456 Y HN 1.035 nan 8.280 nan 0.000 0.457 457 D N 2.048 121.038 120.400 -2.349 0.000 2.751 457 D HA -0.133 4.556 4.640 0.081 0.000 0.233 457 D C -0.972 174.840 176.300 -0.814 0.000 1.149 457 D CA 0.996 54.203 54.000 -1.322 0.000 0.682 457 D CB -0.936 39.645 40.800 -0.366 0.000 1.068 457 D HN 0.169 nan 8.370 nan 0.000 0.429 458 V N 1.500 120.870 119.914 -0.906 0.000 2.284 458 V HA 0.286 4.454 4.120 0.081 0.000 0.260 458 V C 0.457 176.531 176.094 -0.033 0.000 1.084 458 V CA -0.344 61.830 62.300 -0.210 0.000 0.894 458 V CB -0.198 31.592 31.823 -0.055 0.000 1.119 458 V HN 0.006 nan 8.190 nan 0.000 0.484 459 F N 2.283 122.294 119.950 0.102 0.000 2.420 459 F HA 0.750 5.324 4.527 0.078 0.000 0.342 459 F C 0.935 176.736 175.800 0.001 0.000 1.113 459 F CA -0.420 57.603 58.000 0.038 0.000 1.059 459 F CB 1.834 40.842 39.000 0.015 0.000 1.128 459 F HN 0.467 nan 8.300 nan 0.000 0.475 460 G N 0.583 109.454 108.800 0.118 0.000 2.452 460 G HA2 0.512 4.521 3.960 0.081 0.000 0.324 460 G HA3 0.512 4.521 3.960 0.081 0.000 0.324 460 G C 0.307 175.130 174.900 -0.128 0.000 1.214 460 G CA -0.512 44.586 45.100 -0.003 0.000 0.947 460 G HN 0.871 nan 8.290 nan 0.000 0.478 461 A N 1.102 123.786 122.820 -0.227 0.000 2.070 461 A HA -0.057 4.312 4.320 0.081 0.000 0.220 461 A C 2.121 179.177 177.584 -0.881 0.000 1.159 461 A CA 1.677 53.448 52.037 -0.443 0.000 0.656 461 A CB -0.119 18.639 19.000 -0.403 0.000 0.800 461 A HN 0.577 nan 8.150 nan 0.000 0.453 462 Q N -0.111 119.237 119.800 -0.753 0.000 2.269 462 Q HA 0.157 4.545 4.340 0.081 0.000 0.201 462 Q C 0.493 176.427 176.000 -0.110 0.000 0.946 462 Q CA 0.654 56.135 55.803 -0.538 0.000 0.877 462 Q CB 0.056 28.665 28.738 -0.214 0.000 0.963 462 Q HN 0.441 nan 8.270 nan 0.000 0.472 463 S N 2.338 117.986 115.700 -0.087 0.000 2.480 463 S HA 0.358 4.877 4.470 0.081 0.000 0.286 463 S C -2.457 172.154 174.600 0.018 0.000 1.180 463 S CA -1.397 56.806 58.200 0.006 0.000 1.075 463 S CB 1.007 64.197 63.200 -0.017 0.000 0.996 463 S HN 0.064 nan 8.310 nan 0.000 0.487 464 P HA 0.188 nan 4.420 nan 0.000 0.269 464 P C -1.013 176.318 177.300 0.052 0.000 1.209 464 P CA -0.184 62.935 63.100 0.032 0.000 0.776 464 P CB 0.298 31.918 31.700 -0.133 0.000 0.876 465 F N 2.402 122.274 119.950 -0.130 0.000 2.579 465 F HA 0.672 5.246 4.527 0.078 0.000 0.325 465 F C -0.364 175.403 175.800 -0.055 0.000 1.162 465 F CA -0.085 57.859 58.000 -0.094 0.000 0.946 465 F CB 1.675 40.637 39.000 -0.063 0.000 1.211 465 F HN 0.585 nan 8.300 nan 0.000 0.447 466 G N 2.233 110.683 108.800 -0.584 0.000 2.548 466 G HA2 0.564 4.573 3.960 0.081 0.000 0.301 466 G HA3 0.564 4.573 3.960 0.081 0.000 0.301 466 G C -1.539 173.133 174.900 -0.381 0.000 1.349 466 G CA -0.267 44.538 45.100 -0.490 0.000 0.792 466 G HN 0.986 nan 8.290 nan 0.000 0.481 467 G N -1.712 106.974 108.800 -0.190 0.000 2.600 467 G HA2 0.619 4.628 3.960 0.081 0.000 0.303 467 G HA3 0.619 4.628 3.960 0.081 0.000 0.303 467 G C -1.594 173.412 174.900 0.178 0.000 1.253 467 G CA -0.611 44.457 45.100 -0.054 0.000 0.974 467 G HN 0.375 nan 8.290 nan 0.000 0.483 468 Y N 0.451 120.712 120.300 -0.065 0.000 2.488 468 Y HA 0.464 5.061 4.550 0.078 0.000 0.325 468 Y C 1.398 177.282 175.900 -0.026 0.000 1.204 468 Y CA -1.231 56.838 58.100 -0.051 0.000 1.229 468 Y CB 1.397 39.827 38.460 -0.050 0.000 1.274 468 Y HN 0.844 nan 8.280 nan 0.000 0.493 469 K N -0.383 120.071 120.400 0.089 0.000 1.867 469 K HA -0.324 4.045 4.320 0.081 0.000 0.140 469 K C 0.599 177.209 176.600 0.016 0.000 1.408 469 K CA 1.863 58.167 56.287 0.028 0.000 0.461 469 K CB -1.058 31.464 32.500 0.037 0.000 0.594 469 K HN 0.644 nan 8.250 nan 0.000 0.888 470 M N 1.274 120.866 119.600 -0.014 0.000 2.654 470 M HA 0.013 4.541 4.480 0.081 0.000 0.217 470 M C 0.618 176.953 176.300 0.059 0.000 1.183 470 M CA 0.513 55.791 55.300 -0.037 0.000 0.991 470 M CB 0.048 32.555 32.600 -0.155 0.000 1.749 470 M HN 0.309 nan 8.290 nan 0.000 0.475 471 S N 0.031 115.810 115.700 0.131 0.000 2.556 471 S HA 0.388 4.907 4.470 0.081 0.000 0.216 471 S C 0.757 175.413 174.600 0.092 0.000 0.970 471 S CA 0.336 58.653 58.200 0.194 0.000 0.912 471 S CB 0.390 63.697 63.200 0.178 0.000 0.790 471 S HN 0.770 nan 8.310 nan 0.000 0.504 472 G N 1.237 110.075 108.800 0.064 0.000 2.408 472 G HA2 0.090 4.099 3.960 0.081 0.000 0.682 472 G HA3 0.090 4.099 3.960 0.081 0.000 0.682 472 G C -0.760 174.145 174.900 0.009 0.000 1.303 472 G CA -0.538 44.584 45.100 0.037 0.000 0.966 472 G HN 0.663 nan 8.290 nan 0.000 0.560 473 S N -0.893 114.804 115.700 -0.005 0.000 2.599 473 S HA 1.042 5.561 4.470 0.081 0.000 0.294 473 S C 0.567 175.147 174.600 -0.033 0.000 1.094 473 S CA 0.416 58.601 58.200 -0.024 0.000 0.931 473 S CB 1.656 64.838 63.200 -0.031 0.000 1.093 473 S HN 2.980 nan 8.310 nan 0.000 0.488 474 G N 1.203 109.978 108.800 -0.041 0.000 2.758 474 G HA2 0.055 4.064 3.960 0.081 0.000 0.686 474 G HA3 0.055 4.064 3.960 0.081 0.000 0.686 474 G C -1.198 173.674 174.900 -0.046 0.000 1.389 474 G CA -0.948 44.127 45.100 -0.043 0.000 0.845 474 G HN 0.766 nan 8.290 nan 0.000 0.572 475 R N 0.286 120.771 120.500 -0.025 0.000 2.888 475 R HA 0.713 5.102 4.340 0.081 0.000 0.266 475 R C -0.111 176.206 176.300 0.027 0.000 1.020 475 R CA -0.738 55.346 56.100 -0.026 0.000 0.963 475 R CB 1.788 32.070 30.300 -0.030 0.000 1.197 475 R HN 0.770 nan 8.270 nan 0.000 0.481 476 E N 1.038 121.251 120.200 0.022 0.000 2.336 476 E HA 0.554 4.953 4.350 0.081 0.000 0.267 476 E C -0.576 176.020 176.600 -0.006 0.000 0.906 476 E CA -0.956 55.464 56.400 0.033 0.000 0.781 476 E CB 2.259 31.976 29.700 0.028 0.000 1.261 476 E HN 0.341 nan 8.360 nan 0.000 0.436 477 L N 0.205 121.437 121.223 0.015 0.000 0.585 477 L HA -0.254 4.135 4.340 0.081 0.000 0.356 477 L C 0.532 177.513 176.870 0.185 0.000 1.004 477 L CA 0.896 55.761 54.840 0.042 0.000 1.223 477 L CB -1.045 40.847 42.059 -0.279 0.000 0.012 477 L HN 1.022 nan 8.230 nan 0.000 0.091 478 G N 0.819 109.724 108.800 0.175 0.000 2.750 478 G HA2 -0.285 3.723 3.960 0.081 0.000 0.228 478 G HA3 -0.285 3.723 3.960 0.081 0.000 0.228 478 G C 0.378 175.454 174.900 0.294 0.000 1.367 478 G CA 0.800 46.087 45.100 0.312 0.000 0.871 478 G HN 1.144 nan 8.290 nan 0.000 0.560 479 E N -0.979 119.304 120.200 0.138 0.000 2.204 479 E HA -0.098 4.300 4.350 0.081 0.000 0.194 479 E C 2.096 178.456 176.600 -0.399 0.000 0.989 479 E CA 1.720 57.892 56.400 -0.379 0.000 0.824 479 E CB -0.148 29.358 29.700 -0.323 0.000 0.756 479 E HN 0.626 nan 8.360 nan 0.000 0.477 480 Y N -0.490 119.783 120.300 -0.045 0.000 2.352 480 Y HA -0.020 4.604 4.550 0.123 0.000 0.292 480 Y C 2.398 178.271 175.900 -0.044 0.000 1.136 480 Y CA 0.902 58.981 58.100 -0.034 0.000 1.227 480 Y CB -0.491 37.971 38.460 0.003 0.000 0.991 480 Y HN 0.140 nan 8.280 nan 0.000 0.545 481 G N -0.107 108.773 108.800 0.133 0.000 2.471 481 G HA2 -0.145 3.863 3.960 0.081 0.000 0.219 481 G HA3 -0.145 3.863 3.960 0.081 0.000 0.219 481 G C 1.521 176.455 174.900 0.056 0.000 1.125 481 G CA 0.608 45.782 45.100 0.123 0.000 0.775 481 G HN 0.379 nan 8.290 nan 0.000 0.548 482 L N -0.420 120.697 121.223 -0.178 0.000 2.179 482 L HA -0.023 4.366 4.340 0.081 0.000 0.208 482 L C 3.011 179.745 176.870 -0.227 0.000 1.096 482 L CA 0.611 55.224 54.840 -0.378 0.000 0.779 482 L CB -0.394 40.992 42.059 -1.122 0.000 0.922 482 L HN 0.241 nan 8.230 nan 0.000 0.443 483 Q N 0.282 119.997 119.800 -0.142 0.000 2.061 483 Q HA -0.223 4.166 4.340 0.081 0.000 0.204 483 Q C 2.429 178.403 176.000 -0.043 0.000 0.984 483 Q CA 1.826 57.626 55.803 -0.006 0.000 0.846 483 Q CB -0.310 28.448 28.738 0.033 0.000 0.902 483 Q HN 0.568 nan 8.270 nan 0.000 0.421 484 A N -0.203 122.561 122.820 -0.093 0.000 2.070 484 A HA -0.140 4.229 4.320 0.081 0.000 0.220 484 A C 0.848 178.160 177.584 -0.453 0.000 1.159 484 A CA 0.985 52.859 52.037 -0.273 0.000 0.656 484 A CB -0.327 18.456 19.000 -0.363 0.000 0.800 484 A HN 0.423 nan 8.150 nan 0.000 0.453 485 Y N -0.359 119.910 120.300 -0.052 0.000 2.658 485 Y HA 0.291 4.887 4.550 0.076 0.000 0.276 485 Y C 0.352 176.255 175.900 0.004 0.000 1.167 485 Y CA 0.009 58.089 58.100 -0.032 0.000 1.230 485 Y CB 0.371 38.803 38.460 -0.047 0.000 1.144 485 Y HN 0.037 nan 8.280 nan 0.000 0.529 486 T N 0.501 115.098 114.554 0.072 0.000 2.893 486 T HA 0.395 4.793 4.350 0.081 0.000 0.293 486 T C -0.703 173.992 174.700 -0.010 0.000 1.027 486 T CA -0.938 61.209 62.100 0.078 0.000 0.988 486 T CB 1.783 70.739 68.868 0.147 0.000 1.043 486 T HN -0.047 nan 8.240 nan 0.000 0.461 487 K N 1.797 122.200 120.400 0.006 0.000 2.221 487 K HA 0.657 5.026 4.320 0.081 0.000 0.258 487 K C -0.973 175.596 176.600 -0.053 0.000 0.944 487 K CA -0.719 55.555 56.287 -0.021 0.000 0.823 487 K CB 1.825 34.341 32.500 0.027 0.000 1.113 487 K HN 0.272 nan 8.250 nan 0.000 0.431 488 V N 4.186 124.050 119.914 -0.083 0.000 2.364 488 V HA 0.203 4.372 4.120 0.081 0.000 0.272 488 V C -0.047 176.031 176.094 -0.026 0.000 1.036 488 V CA -0.501 61.757 62.300 -0.069 0.000 0.880 488 V CB 0.866 32.632 31.823 -0.095 0.000 0.991 488 V HN 0.620 nan 8.190 nan 0.000 0.460 489 K N 3.409 123.809 120.400 0.000 0.000 2.182 489 K HA 0.566 4.934 4.320 0.081 0.000 0.262 489 K C -0.585 175.964 176.600 -0.084 0.000 0.957 489 K CA -0.374 55.892 56.287 -0.035 0.000 0.842 489 K CB 1.514 34.004 32.500 -0.017 0.000 1.099 489 K HN 0.654 nan 8.250 nan 0.000 0.438 490 T N 2.768 117.239 114.554 -0.139 0.000 2.794 490 T HA 0.334 4.733 4.350 0.081 0.000 0.280 490 T C -0.874 173.622 174.700 -0.340 0.000 0.987 490 T CA -0.601 61.362 62.100 -0.230 0.000 0.993 490 T CB 1.356 70.116 68.868 -0.180 0.000 0.939 490 T HN 0.294 nan 8.240 nan 0.000 0.449 491 V N 3.758 123.296 119.914 -0.627 0.000 2.378 491 V HA 0.456 4.624 4.120 0.081 0.000 0.288 491 V C 0.083 175.795 176.094 -0.636 0.000 1.016 491 V CA -0.715 61.174 62.300 -0.684 0.000 0.840 491 V CB 1.717 32.921 31.823 -1.032 0.000 0.994 491 V HN 0.958 nan 8.190 nan 0.000 0.431 492 T N 4.783 119.142 114.554 -0.325 0.000 2.809 492 T HA 0.553 4.952 4.350 0.081 0.000 0.296 492 T C -0.295 174.396 174.700 -0.016 0.000 1.015 492 T CA -0.311 61.671 62.100 -0.197 0.000 0.954 492 T CB 1.340 70.082 68.868 -0.211 0.000 0.950 492 T HN 0.350 nan 8.240 nan 0.000 0.450 493 V N 3.917 123.903 119.914 0.120 0.000 2.483 493 V HA 0.454 4.623 4.120 0.081 0.000 0.295 493 V C 0.438 176.745 176.094 0.356 0.000 1.035 493 V CA -1.178 61.268 62.300 0.242 0.000 0.896 493 V CB 1.744 33.748 31.823 0.303 0.000 0.986 493 V HN 0.729 nan 8.190 nan 0.000 0.447 494 K N 3.712 124.290 120.400 0.297 0.000 2.368 494 K HA 0.474 4.843 4.320 0.081 0.000 0.282 494 K C -0.549 176.071 176.600 0.034 0.000 1.035 494 K CA -0.222 56.137 56.287 0.120 0.000 0.973 494 K CB 1.029 33.581 32.500 0.085 0.000 0.957 494 K HN 0.685 nan 8.250 nan 0.000 0.474 495 V N 1.913 121.784 119.914 -0.072 0.000 2.960 495 V HA 0.407 4.576 4.120 0.081 0.000 0.315 495 V C -2.142 173.898 176.094 -0.091 0.000 1.087 495 V CA -1.978 60.301 62.300 -0.036 0.000 0.982 495 V CB 1.326 33.156 31.823 0.011 0.000 1.039 495 V HN 0.678 nan 8.190 nan 0.000 0.437 496 P HA -0.108 nan 4.420 nan 0.000 0.214 496 P C 0.047 177.304 177.300 -0.073 0.000 1.169 496 P CA 1.451 64.514 63.100 -0.061 0.000 0.908 496 P CB 0.119 31.794 31.700 -0.042 0.000 0.791 497 Q N -1.373 118.388 119.800 -0.064 0.000 2.418 497 Q HA 0.157 4.545 4.340 0.081 0.000 0.240 497 Q C -1.129 174.843 176.000 -0.045 0.000 0.859 497 Q CA -0.650 55.118 55.803 -0.059 0.000 0.916 497 Q CB 1.061 29.773 28.738 -0.045 0.000 1.448 497 Q HN -0.146 nan 8.270 nan 0.000 0.439 498 K N 3.630 124.005 120.400 -0.042 0.000 2.322 498 K HA 0.279 4.648 4.320 0.081 0.000 0.283 498 K C -0.937 175.658 176.600 -0.007 0.000 1.042 498 K CA 0.128 56.407 56.287 -0.013 0.000 0.958 498 K CB 0.631 33.138 32.500 0.012 0.000 0.984 498 K HN 0.608 nan 8.250 nan 0.000 0.473 499 N N 1.487 120.184 118.700 -0.005 0.000 2.229 499 N HA 0.124 4.912 4.740 0.081 0.000 0.298 499 N C -0.782 174.729 175.510 0.003 0.000 1.114 499 N CA -0.571 52.476 53.050 -0.005 0.000 0.776 499 N CB 1.979 40.458 38.487 -0.014 0.000 1.501 499 N HN 0.701 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.703 115.700 0.006 0.000 2.498 500 S HA 0.000 4.519 4.470 0.081 0.000 0.327 500 S CA 0.000 58.206 58.200 0.010 0.000 1.107 500 S CB 0.000 63.206 63.200 0.010 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517