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 1qi5_1_A DATA FIRST_RESID 1 DATA SEQUENCE DQAGKSPNAV RYHGGDEIIL QGFHWNVVRE APNDWYNILR QQAATIAADG DATA SEQUENCE FSAIWMPVPW RDFSSWSDGS KSGGGEGYFW HDFNKNGRYG SDAQLRQAAS DATA SEQUENCE ALGGAGVKVL YDVVPNHMNR GYPDKEINLP AGQGFWRNDc ADPGNYPNDc DATA SEQUENCE DDGDRFIGGD ADLNTGHPQV YGMFRDEFTN LRSQYGAGGF RFDFVRGYAP DATA SEQUENCE ERVNSWMTDS ADNSFcVGEL WKGPSEYPNW DWRNTASWQQ IIKDWSDRAK DATA SEQUENCE cPVFDFALKE RMQNGSIADW KHGLNGNPDP RWREVAVTFV DNHNTGYSPG DATA SEQUENCE QNGGQHHWAL QDGLIRQAYA YILTSPGTPV VYWDHMYDWG YGDFIRQLIQ DATA SEQUENCE VRRAAGVRAD SAISFHSGYS GLVATVSGSQ QTLVVALNSD LGNPGQVASG DATA SEQUENCE SFSEAVNASN GQVRVWRS 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.333 176.300 0.054 0.000 2.045 1 D CA 0.000 54.031 54.000 0.051 0.000 0.868 1 D CB 0.000 40.847 40.800 0.079 0.000 0.688 2 Q N 2.289 122.102 119.800 0.021 0.000 2.352 2 Q HA 0.546 4.886 4.340 -0.000 0.000 0.260 2 Q C -0.298 175.649 176.000 -0.089 0.000 0.976 2 Q CA 0.103 55.893 55.803 -0.022 0.000 0.881 2 Q CB 1.156 29.875 28.738 -0.032 0.000 1.235 2 Q HN 0.452 nan 8.270 nan 0.000 0.419 3 A N 3.522 126.233 122.820 -0.183 0.000 2.609 3 A HA 0.399 4.719 4.320 -0.000 0.000 0.286 3 A C 0.357 177.757 177.584 -0.306 0.000 1.138 3 A CA 0.150 51.884 52.037 -0.506 0.000 0.960 3 A CB 0.385 19.105 19.000 -0.466 0.000 1.208 3 A HN 0.811 nan 8.150 nan 0.000 0.541 4 G N -0.125 108.632 108.800 -0.072 0.000 2.510 4 G HA2 0.455 4.415 3.960 -0.000 0.000 0.280 4 G HA3 0.455 4.415 3.960 -0.000 0.000 0.280 4 G C -0.137 174.866 174.900 0.172 0.000 1.386 4 G CA -0.560 44.563 45.100 0.038 0.000 1.047 4 G HN 0.313 nan 8.290 nan 0.000 0.527 5 K N -0.348 120.121 120.400 0.115 0.000 2.098 5 K HA 0.421 4.741 4.320 -0.000 0.000 0.261 5 K C 0.858 177.400 176.600 -0.096 0.000 0.987 5 K CA -0.297 56.004 56.287 0.024 0.000 0.916 5 K CB 1.368 33.856 32.500 -0.021 0.000 1.039 5 K HN 0.618 nan 8.250 nan 0.000 0.455 6 S N 1.599 116.978 115.700 -0.535 0.000 2.606 6 S HA 0.136 4.606 4.470 -0.000 0.000 0.257 6 S C -1.763 172.699 174.600 -0.230 0.000 1.327 6 S CA -0.920 56.880 58.200 -0.666 0.000 0.984 6 S CB 0.436 63.058 63.200 -0.964 0.000 0.941 6 S HN 0.379 nan 8.310 nan 0.000 0.576 7 P HA 0.063 nan 4.420 nan 0.000 0.225 7 P C 0.293 177.549 177.300 -0.073 0.000 1.148 7 P CA 0.842 63.907 63.100 -0.058 0.000 0.779 7 P CB -0.086 31.607 31.700 -0.012 0.000 0.780 8 N N -1.201 117.431 118.700 -0.114 0.000 2.214 8 N HA 0.288 5.028 4.740 -0.000 0.000 0.214 8 N C 0.490 175.926 175.510 -0.124 0.000 1.132 8 N CA 0.383 53.371 53.050 -0.104 0.000 0.856 8 N CB -0.077 38.344 38.487 -0.109 0.000 1.020 8 N HN -0.102 nan 8.380 nan 0.000 0.509 9 A N -0.980 121.758 122.820 -0.137 0.000 2.969 9 A HA -0.176 4.144 4.320 -0.000 0.000 0.252 9 A C 0.071 177.564 177.584 -0.152 0.000 1.377 9 A CA 0.408 52.371 52.037 -0.123 0.000 0.859 9 A CB -2.295 16.654 19.000 -0.085 0.000 1.077 9 A HN 0.027 nan 8.150 nan 0.000 0.671 10 V N 0.993 120.772 119.914 -0.225 0.000 2.583 10 V HA 0.227 4.346 4.120 -0.000 0.000 0.287 10 V C 1.394 177.364 176.094 -0.207 0.000 1.051 10 V CA -0.227 61.941 62.300 -0.218 0.000 1.010 10 V CB 1.199 32.884 31.823 -0.231 0.000 0.988 10 V HN 0.467 nan 8.190 nan 0.000 0.478 11 R N 4.562 124.999 120.500 -0.104 0.000 4.113 11 R HA 0.041 4.381 4.340 -0.000 0.000 0.179 11 R C 0.200 176.527 176.300 0.046 0.000 1.781 11 R CA -0.064 56.031 56.100 -0.008 0.000 1.402 11 R CB -0.333 29.958 30.300 -0.016 0.000 1.375 11 R HN 0.901 nan 8.270 nan 0.000 0.786 12 Y N -1.076 119.246 120.300 0.037 0.000 2.457 12 Y HA 0.081 4.631 4.550 -0.000 0.000 0.263 12 Y C 0.461 176.622 175.900 0.434 0.000 1.164 12 Y CA -1.198 57.018 58.100 0.193 0.000 1.274 12 Y CB -0.801 37.756 38.460 0.162 0.000 1.097 12 Y HN 0.411 nan 8.280 nan 0.000 0.523 13 H N 1.459 120.854 119.070 0.542 0.000 2.591 13 H HA -0.167 4.389 4.556 -0.000 0.000 0.325 13 H C 1.465 176.849 175.328 0.093 0.000 1.096 13 H CA 1.083 57.321 56.048 0.317 0.000 1.108 13 H CB -1.054 28.920 29.762 0.354 0.000 1.590 13 H HN 0.875 nan 8.280 nan 0.000 0.399 14 G N 0.351 109.117 108.800 -0.056 0.000 2.267 14 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.257 14 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.257 14 G C 1.483 176.038 174.900 -0.574 0.000 0.998 14 G CA 1.077 46.046 45.100 -0.219 0.000 0.620 14 G HN 1.841 nan 8.290 nan 0.000 0.529 15 G N 0.225 108.529 108.800 -0.826 0.000 2.198 15 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.260 15 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.260 15 G C 0.343 175.079 174.900 -0.274 0.000 1.025 15 G CA 1.245 45.877 45.100 -0.781 0.000 0.769 15 G HN 1.951 nan 8.290 nan 0.000 0.507 16 D N -0.889 119.421 120.400 -0.150 0.000 2.599 16 D HA 0.206 4.846 4.640 -0.000 0.000 0.249 16 D C 0.311 176.583 176.300 -0.046 0.000 1.313 16 D CA -0.338 53.617 54.000 -0.074 0.000 0.815 16 D CB 0.295 41.061 40.800 -0.058 0.000 1.077 16 D HN 0.320 nan 8.370 nan 0.000 0.492 17 E N 0.653 120.818 120.200 -0.058 0.000 2.349 17 E HA 0.432 4.782 4.350 -0.000 0.000 0.265 17 E C 0.172 176.745 176.600 -0.045 0.000 1.064 17 E CA -0.402 55.937 56.400 -0.103 0.000 0.886 17 E CB 2.032 31.550 29.700 -0.302 0.000 1.036 17 E HN 0.272 nan 8.360 nan 0.000 0.413 18 I N 3.174 123.742 120.570 -0.003 0.000 2.503 18 I HA 0.308 4.478 4.170 -0.000 0.000 0.282 18 I C -0.367 175.887 176.117 0.228 0.000 1.059 18 I CA -0.400 60.963 61.300 0.106 0.000 1.081 18 I CB 0.936 38.975 38.000 0.066 0.000 1.210 18 I HN 0.204 nan 8.210 nan 0.000 0.450 19 I N 6.112 126.809 120.570 0.212 0.000 2.392 19 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 19 I C -0.496 175.693 176.117 0.121 0.000 0.985 19 I CA -0.814 60.585 61.300 0.164 0.000 1.221 19 I CB 1.843 39.919 38.000 0.127 0.000 1.366 19 I HN 0.359 nan 8.210 nan 0.000 0.467 20 L N 5.903 127.010 121.223 -0.192 0.000 2.282 20 L HA 0.344 4.683 4.340 -0.000 0.000 0.288 20 L C -0.088 176.759 176.870 -0.038 0.000 1.033 20 L CA -0.033 54.523 54.840 -0.473 0.000 0.807 20 L CB 1.402 42.830 42.059 -1.051 0.000 1.209 20 L HN 0.635 nan 8.230 nan 0.000 0.423 21 Q N 3.483 123.291 119.800 0.012 0.000 2.344 21 Q HA 0.300 4.640 4.340 -0.000 0.000 0.253 21 Q C 0.783 176.720 176.000 -0.105 0.000 1.050 21 Q CA 0.185 55.879 55.803 -0.182 0.000 0.912 21 Q CB 0.967 29.436 28.738 -0.448 0.000 1.258 21 Q HN 0.966 nan 8.270 nan 0.000 0.443 22 G N 4.670 113.477 108.800 0.012 0.000 3.186 22 G HA2 0.188 4.148 3.960 -0.000 0.000 0.214 22 G HA3 0.188 4.148 3.960 -0.000 0.000 0.214 22 G C -0.485 174.533 174.900 0.197 0.000 1.222 22 G CA 0.175 45.405 45.100 0.217 0.000 0.921 22 G HN 0.657 nan 8.290 nan 0.000 0.504 23 F N -2.443 117.326 119.950 -0.302 0.000 2.900 23 F HA 0.615 5.142 4.527 -0.000 0.000 0.321 23 F C -0.919 174.619 175.800 -0.437 0.000 1.160 23 F CA -2.120 55.489 58.000 -0.652 0.000 0.890 23 F CB 0.516 39.094 39.000 -0.702 0.000 1.334 23 F HN 0.164 nan 8.300 nan 0.000 0.459 24 H N -1.705 117.124 119.070 -0.403 0.000 2.864 24 H HA 0.317 4.873 4.556 -0.000 0.000 0.354 24 H C 0.035 175.474 175.328 0.185 0.000 1.208 24 H CA -1.041 54.933 56.048 -0.123 0.000 1.191 24 H CB 1.172 30.852 29.762 -0.138 0.000 1.889 24 H HN 0.898 nan 8.280 nan 0.000 0.574 25 W N 1.372 122.909 121.300 0.395 0.000 2.374 25 W HA -0.096 4.564 4.660 -0.000 0.000 0.288 25 W C -0.344 176.322 176.519 0.245 0.000 1.218 25 W CA 1.663 59.219 57.345 0.353 0.000 1.245 25 W CB 0.088 29.748 29.460 0.334 0.000 1.126 25 W HN 0.735 nan 8.180 nan 0.000 0.545 26 N N 0.064 118.976 118.700 0.353 0.000 2.295 26 N HA -0.023 4.717 4.740 -0.000 0.000 0.221 26 N C 1.260 176.685 175.510 -0.141 0.000 1.129 26 N CA -0.375 52.725 53.050 0.083 0.000 0.836 26 N CB 0.554 39.193 38.487 0.254 0.000 1.040 26 N HN -0.173 nan 8.380 nan 0.000 0.494 27 V N 0.666 120.242 119.914 -0.563 0.000 2.287 27 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 27 V C 2.312 178.093 176.094 -0.523 0.000 1.053 27 V CA 1.816 63.626 62.300 -0.817 0.000 1.027 27 V CB -0.360 30.635 31.823 -1.380 0.000 0.646 27 V HN 0.416 nan 8.190 nan 0.000 0.447 28 V N -1.594 117.974 119.914 -0.577 0.000 2.867 28 V HA -0.170 3.949 4.120 -0.000 0.000 0.260 28 V C 2.173 178.082 176.094 -0.308 0.000 1.099 28 V CA 1.919 63.894 62.300 -0.541 0.000 1.122 28 V CB -0.871 30.552 31.823 -0.667 0.000 0.708 28 V HN 0.458 nan 8.190 nan 0.000 0.490 29 R N -0.671 119.690 120.500 -0.231 0.000 2.195 29 R HA 0.181 4.521 4.340 -0.000 0.000 0.197 29 R C 2.340 178.602 176.300 -0.063 0.000 0.990 29 R CA 0.673 56.698 56.100 -0.125 0.000 1.048 29 R CB 0.010 30.257 30.300 -0.087 0.000 0.997 29 R HN 0.483 nan 8.270 nan 0.000 0.502 30 E N 0.317 120.491 120.200 -0.044 0.000 2.122 30 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 30 E C 0.301 176.916 176.600 0.025 0.000 0.977 30 E CA 0.738 57.153 56.400 0.026 0.000 0.820 30 E CB 0.478 30.245 29.700 0.112 0.000 0.770 30 E HN 0.153 nan 8.360 nan 0.000 0.462 31 A N 2.466 125.281 122.820 -0.009 0.000 3.253 31 A HA 0.300 4.620 4.320 -0.000 0.000 0.290 31 A C -2.499 175.074 177.584 -0.018 0.000 0.950 31 A CA -1.304 50.766 52.037 0.054 0.000 0.986 31 A CB 0.100 19.246 19.000 0.243 0.000 1.104 31 A HN -0.124 nan 8.150 nan 0.000 0.481 32 P HA -0.010 nan 4.420 nan 0.000 0.258 32 P C -0.050 177.205 177.300 -0.075 0.000 1.187 32 P CA 0.716 63.752 63.100 -0.108 0.000 0.767 32 P CB 0.202 31.849 31.700 -0.088 0.000 0.770 33 N N 1.292 119.927 118.700 -0.107 0.000 2.753 33 N HA -0.215 4.524 4.740 -0.000 0.000 0.251 33 N C 0.277 175.775 175.510 -0.020 0.000 1.097 33 N CA 1.331 54.346 53.050 -0.058 0.000 0.786 33 N CB -1.561 36.910 38.487 -0.026 0.000 1.137 33 N HN 0.506 nan 8.380 nan 0.000 0.566 34 D N -1.395 119.005 120.400 -0.000 0.000 2.500 34 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 34 D C 1.328 177.652 176.300 0.040 0.000 1.140 34 D CA -0.269 53.747 54.000 0.027 0.000 0.830 34 D CB 0.028 40.848 40.800 0.033 0.000 1.055 34 D HN 0.337 nan 8.370 nan 0.000 0.512 35 W N 0.437 121.621 121.300 -0.192 0.000 2.318 35 W HA -0.308 4.352 4.660 -0.000 0.000 0.313 35 W C 0.832 177.263 176.519 -0.146 0.000 1.221 35 W CA 1.155 58.368 57.345 -0.220 0.000 1.266 35 W CB -0.144 29.178 29.460 -0.231 0.000 1.150 35 W HN 0.090 nan 8.180 nan 0.000 0.496 36 Y N 0.697 121.005 120.300 0.014 0.000 2.274 36 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 36 Y C 2.364 178.179 175.900 -0.143 0.000 1.145 36 Y CA 1.304 59.353 58.100 -0.085 0.000 1.203 36 Y CB -1.518 36.944 38.460 0.004 0.000 0.984 36 Y HN 0.009 nan 8.280 nan 0.000 0.533 37 N N 0.322 119.036 118.700 0.023 0.000 2.084 37 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 37 N C 1.982 177.412 175.510 -0.132 0.000 1.030 37 N CA 1.476 54.507 53.050 -0.033 0.000 0.849 37 N CB -0.554 37.924 38.487 -0.014 0.000 1.012 37 N HN 0.341 nan 8.380 nan 0.000 0.423 38 I N 1.311 121.731 120.570 -0.250 0.000 2.163 38 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 38 I C 2.176 178.046 176.117 -0.411 0.000 1.085 38 I CA 0.918 61.990 61.300 -0.381 0.000 1.347 38 I CB -0.274 37.366 38.000 -0.600 0.000 1.044 38 I HN 0.058 nan 8.210 nan 0.000 0.408 39 L N 0.273 121.194 121.223 -0.504 0.000 2.083 39 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 39 L C 2.771 179.539 176.870 -0.171 0.000 1.083 39 L CA 1.352 55.986 54.840 -0.343 0.000 0.752 39 L CB -0.654 41.215 42.059 -0.316 0.000 0.899 39 L HN 0.297 nan 8.230 nan 0.000 0.433 40 R N 0.419 120.843 120.500 -0.127 0.000 2.096 40 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 40 R C 2.164 178.417 176.300 -0.078 0.000 1.127 40 R CA 1.505 57.558 56.100 -0.078 0.000 0.968 40 R CB -0.070 30.200 30.300 -0.049 0.000 0.861 40 R HN 0.402 nan 8.270 nan 0.000 0.440 41 Q N -0.631 119.111 119.800 -0.097 0.000 2.245 41 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 41 Q C 1.722 177.667 176.000 -0.092 0.000 0.955 41 Q CA 0.931 56.683 55.803 -0.085 0.000 0.870 41 Q CB 0.310 28.998 28.738 -0.083 0.000 0.945 41 Q HN 0.219 nan 8.270 nan 0.000 0.461 42 Q N -0.334 119.394 119.800 -0.120 0.000 2.398 42 Q HA 0.157 4.497 4.340 -0.000 0.000 0.204 42 Q C 1.687 177.638 176.000 -0.082 0.000 0.932 42 Q CA 0.693 56.416 55.803 -0.132 0.000 0.916 42 Q CB -0.073 28.557 28.738 -0.180 0.000 1.024 42 Q HN 0.381 nan 8.270 nan 0.000 0.504 43 A N 0.563 123.346 122.820 -0.062 0.000 1.915 43 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 43 A C 2.178 179.758 177.584 -0.007 0.000 1.198 43 A CA 2.222 54.241 52.037 -0.030 0.000 0.647 43 A CB -0.983 17.995 19.000 -0.036 0.000 0.825 43 A HN 0.413 nan 8.150 nan 0.000 0.456 44 A N -1.800 121.011 122.820 -0.015 0.000 1.930 44 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 44 A C 2.301 179.891 177.584 0.010 0.000 1.175 44 A CA 2.164 54.198 52.037 -0.004 0.000 0.627 44 A CB -1.111 17.881 19.000 -0.013 0.000 0.815 44 A HN 0.454 nan 8.150 nan 0.000 0.443 45 T N 0.533 115.088 114.554 0.001 0.000 2.674 45 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 45 T C 1.810 176.571 174.700 0.101 0.000 1.039 45 T CA 1.561 63.676 62.100 0.024 0.000 1.150 45 T CB -0.432 68.420 68.868 -0.026 0.000 0.864 45 T HN 0.422 nan 8.240 nan 0.000 0.427 46 I N 1.417 122.058 120.570 0.117 0.000 2.208 46 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 46 I C 2.914 179.186 176.117 0.259 0.000 1.097 46 I CA 1.274 62.745 61.300 0.285 0.000 1.363 46 I CB -0.529 37.585 38.000 0.190 0.000 1.051 46 I HN 0.207 nan 8.210 nan 0.000 0.413 47 A N 0.708 123.605 122.820 0.128 0.000 1.898 47 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 47 A C 2.519 180.124 177.584 0.034 0.000 1.181 47 A CA 1.730 53.813 52.037 0.078 0.000 0.620 47 A CB -0.753 18.269 19.000 0.038 0.000 0.819 47 A HN 0.436 nan 8.150 nan 0.000 0.442 48 A N -0.393 122.442 122.820 0.026 0.000 2.067 48 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 48 A C 1.573 179.133 177.584 -0.040 0.000 1.158 48 A CA 1.671 53.705 52.037 -0.006 0.000 0.661 48 A CB -0.410 18.591 19.000 0.002 0.000 0.801 48 A HN 0.421 nan 8.150 nan 0.000 0.452 49 D N -1.266 119.115 120.400 -0.031 0.000 2.317 49 D HA 0.187 4.827 4.640 -0.000 0.000 0.211 49 D C 1.442 177.519 176.300 -0.371 0.000 0.966 49 D CA 1.373 55.285 54.000 -0.146 0.000 0.876 49 D CB 0.088 40.878 40.800 -0.017 0.000 0.927 49 D HN 0.599 nan 8.370 nan 0.000 0.519 50 G N -0.364 108.258 108.800 -0.297 0.000 2.168 50 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.197 50 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.197 50 G C 0.016 174.712 174.900 -0.339 0.000 0.997 50 G CA -0.590 44.322 45.100 -0.314 0.000 0.658 50 G HN 0.136 nan 8.290 nan 0.000 0.513 51 F N 1.755 121.699 119.950 -0.011 0.000 2.471 51 F HA 0.476 5.003 4.527 -0.000 0.000 0.353 51 F C 1.737 177.520 175.800 -0.028 0.000 1.113 51 F CA 0.296 58.291 58.000 -0.008 0.000 1.262 51 F CB 1.642 40.658 39.000 0.027 0.000 1.146 51 F HN 0.157 nan 8.300 nan 0.000 0.578 52 S N 0.556 116.343 115.700 0.145 0.000 2.512 52 S HA 0.685 5.155 4.470 -0.000 0.000 0.216 52 S C 0.254 174.842 174.600 -0.021 0.000 1.006 52 S CA 0.240 58.456 58.200 0.026 0.000 0.915 52 S CB 0.079 63.263 63.200 -0.027 0.000 0.824 52 S HN 0.768 nan 8.310 nan 0.000 0.497 53 A N 0.585 123.412 122.820 0.012 0.000 2.612 53 A HA 0.774 5.094 4.320 -0.000 0.000 0.293 53 A C -1.619 175.955 177.584 -0.017 0.000 1.075 53 A CA -0.741 51.254 52.037 -0.069 0.000 0.680 53 A CB 1.102 19.974 19.000 -0.212 0.000 1.279 53 A HN 0.542 nan 8.150 nan 0.000 0.411 54 I N 0.563 121.113 120.570 -0.033 0.000 2.545 54 I HA 0.646 4.816 4.170 -0.000 0.000 0.292 54 I C -1.517 174.653 176.117 0.090 0.000 1.040 54 I CA -0.650 60.658 61.300 0.013 0.000 1.068 54 I CB 1.421 39.416 38.000 -0.009 0.000 1.251 54 I HN 0.838 nan 8.210 nan 0.000 0.424 55 W N 9.839 131.136 121.300 -0.004 0.000 2.317 55 W HA 0.433 5.093 4.660 -0.000 0.000 0.327 55 W C -1.379 175.214 176.519 0.124 0.000 1.036 55 W CA -1.481 55.902 57.345 0.064 0.000 1.419 55 W CB 0.587 30.156 29.460 0.182 0.000 1.253 55 W HN 0.302 nan 8.180 nan 0.000 0.392 56 M N 8.051 127.792 119.600 0.235 0.000 2.247 56 M HA 0.269 4.749 4.480 -0.000 0.000 0.326 56 M C -1.653 174.580 176.300 -0.111 0.000 1.134 56 M CA -2.122 53.176 55.300 -0.003 0.000 1.136 56 M CB 0.071 32.506 32.600 -0.274 0.000 1.454 56 M HN 0.206 nan 8.290 nan 0.000 0.467 57 P HA 0.103 nan 4.420 nan 0.000 0.274 57 P C -0.561 176.327 177.300 -0.687 0.000 1.260 57 P CA -0.542 61.758 63.100 -1.334 0.000 0.793 57 P CB 0.223 30.729 31.700 -1.991 0.000 1.048 58 V N 3.145 122.640 119.914 -0.700 0.000 2.493 58 V HA -0.000 4.119 4.120 -0.000 0.000 0.292 58 V C -0.928 174.883 176.094 -0.472 0.000 1.016 58 V CA -0.226 61.722 62.300 -0.586 0.000 1.097 58 V CB -0.029 31.437 31.823 -0.596 0.000 0.947 58 V HN 0.657 nan 8.190 nan 0.000 0.479 59 P HA -0.054 nan 4.420 nan 0.000 0.222 59 P C 0.153 177.341 177.300 -0.187 0.000 1.153 59 P CA 0.494 63.378 63.100 -0.359 0.000 0.798 59 P CB 0.199 31.530 31.700 -0.615 0.000 0.796 60 W N 3.882 125.010 121.300 -0.288 0.000 2.381 60 W HA 0.147 4.807 4.660 -0.000 0.000 0.321 60 W C 1.138 177.525 176.519 -0.221 0.000 1.407 60 W CA -0.972 56.211 57.345 -0.269 0.000 1.274 60 W CB -0.820 28.394 29.460 -0.410 0.000 1.310 60 W HN 0.076 nan 8.180 nan 0.000 0.551 61 R N 2.074 122.508 120.500 -0.110 0.000 2.583 61 R HA 0.056 4.395 4.340 -0.000 0.000 0.274 61 R C -0.401 175.547 176.300 -0.586 0.000 0.998 61 R CA 0.143 56.003 56.100 -0.398 0.000 1.081 61 R CB 0.514 30.479 30.300 -0.557 0.000 0.940 61 R HN 0.272 nan 8.270 nan 0.000 0.413 62 D N 3.859 123.975 120.400 -0.474 0.000 2.473 62 D HA 0.185 4.825 4.640 -0.000 0.000 0.253 62 D C -1.066 175.170 176.300 -0.107 0.000 1.233 62 D CA -0.795 53.065 54.000 -0.232 0.000 0.908 62 D CB 0.661 41.471 40.800 0.017 0.000 1.170 62 D HN 0.544 nan 8.370 nan 0.000 0.558 63 F N 1.356 121.322 119.950 0.027 0.000 2.708 63 F HA 0.175 4.702 4.527 -0.000 0.000 0.300 63 F C 1.436 177.264 175.800 0.047 0.000 1.118 63 F CA -0.792 57.199 58.000 -0.014 0.000 1.307 63 F CB -0.578 38.397 39.000 -0.042 0.000 0.986 63 F HN 0.127 nan 8.300 nan 0.000 0.522 64 S N -0.754 115.102 115.700 0.259 0.000 2.617 64 S HA 0.591 5.061 4.470 -0.000 0.000 0.259 64 S C 0.228 174.994 174.600 0.276 0.000 1.301 64 S CA -0.309 58.095 58.200 0.340 0.000 0.984 64 S CB 1.783 65.277 63.200 0.490 0.000 0.954 64 S HN 0.139 nan 8.310 nan 0.000 0.572 65 S N 0.716 116.591 115.700 0.291 0.000 2.543 65 S HA 0.650 5.120 4.470 -0.000 0.000 0.274 65 S C -1.977 172.781 174.600 0.263 0.000 1.149 65 S CA -0.756 57.545 58.200 0.169 0.000 0.866 65 S CB 0.874 64.140 63.200 0.110 0.000 1.111 65 S HN 1.064 nan 8.310 nan 0.000 0.457 66 W N 1.193 122.554 121.300 0.101 0.000 3.059 66 W HA 0.777 5.437 4.660 -0.000 0.000 0.329 66 W C -1.692 174.871 176.519 0.074 0.000 1.246 66 W CA -0.687 56.703 57.345 0.076 0.000 1.190 66 W CB 0.841 30.338 29.460 0.062 0.000 1.423 66 W HN 0.722 nan 8.180 nan 0.000 0.571 67 S N 1.135 117.108 115.700 0.455 0.000 2.548 67 S HA 0.399 4.869 4.470 -0.000 0.000 0.278 67 S C -1.999 172.828 174.600 0.379 0.000 1.150 67 S CA -0.442 57.926 58.200 0.280 0.000 0.907 67 S CB 1.352 64.595 63.200 0.072 0.000 1.108 67 S HN 0.524 nan 8.310 nan 0.000 0.459 68 D N 1.882 122.508 120.400 0.376 0.000 2.381 68 D HA 0.583 5.223 4.640 -0.000 0.000 0.245 68 D C 0.762 177.168 176.300 0.177 0.000 1.297 68 D CA 0.094 54.233 54.000 0.233 0.000 0.931 68 D CB 0.480 41.385 40.800 0.176 0.000 1.334 68 D HN 0.908 nan 8.370 nan 0.000 0.535 69 G N 1.808 110.681 108.800 0.123 0.000 2.972 69 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 69 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 69 G C 0.982 175.934 174.900 0.086 0.000 1.506 69 G CA 0.155 45.310 45.100 0.092 0.000 1.016 69 G HN 0.713 nan 8.290 nan 0.000 0.563 70 S N 0.864 116.621 115.700 0.096 0.000 2.503 70 S HA 0.325 4.794 4.470 -0.000 0.000 0.215 70 S C 0.794 175.446 174.600 0.087 0.000 1.003 70 S CA 0.880 59.130 58.200 0.082 0.000 0.910 70 S CB 0.456 63.708 63.200 0.087 0.000 0.790 70 S HN 0.506 nan 8.310 nan 0.000 0.514 71 K N 3.157 123.640 120.400 0.138 0.000 2.322 71 K HA 0.464 4.784 4.320 -0.000 0.000 0.283 71 K C 0.006 176.588 176.600 -0.029 0.000 1.042 71 K CA -0.033 56.360 56.287 0.177 0.000 0.958 71 K CB 0.869 33.626 32.500 0.428 0.000 0.984 71 K HN 0.291 nan 8.250 nan 0.000 0.473 72 S N 0.927 116.423 115.700 -0.340 0.000 2.564 72 S HA 0.913 5.383 4.470 -0.000 0.000 0.274 72 S C -0.371 173.579 174.600 -1.085 0.000 1.124 72 S CA -0.318 57.401 58.200 -0.801 0.000 0.869 72 S CB 2.025 65.004 63.200 -0.368 0.000 1.105 72 S HN 0.661 nan 8.310 nan 0.000 0.472 73 G N -0.631 107.256 108.800 -1.521 0.000 2.548 73 G HA2 0.849 4.809 3.960 -0.000 0.000 0.301 73 G HA3 0.849 4.809 3.960 -0.000 0.000 0.301 73 G C -0.185 174.407 174.900 -0.513 0.000 1.349 73 G CA -0.107 44.553 45.100 -0.735 0.000 0.792 73 G HN 2.224 nan 8.290 nan 0.000 0.481 74 G N -2.644 106.153 108.800 -0.005 0.000 2.453 74 G HA2 0.569 4.529 3.960 -0.000 0.000 0.665 74 G HA3 0.569 4.529 3.960 -0.000 0.000 0.665 74 G C 0.879 175.787 174.900 0.013 0.000 1.411 74 G CA 1.110 46.287 45.100 0.128 0.000 0.889 74 G HN 2.676 nan 8.290 nan 0.000 0.651 75 G N -0.209 108.637 108.800 0.075 0.000 2.179 75 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 75 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 75 G C 0.809 175.622 174.900 -0.146 0.000 0.977 75 G CA 1.287 46.380 45.100 -0.011 0.000 0.641 75 G HN 1.318 nan 8.290 nan 0.000 0.533 76 E N -0.511 119.611 120.200 -0.131 0.000 2.427 76 E HA 0.387 4.737 4.350 -0.000 0.000 0.196 76 E C 2.130 178.714 176.600 -0.027 0.000 1.028 76 E CA 1.487 57.785 56.400 -0.170 0.000 0.864 76 E CB -0.072 29.372 29.700 -0.428 0.000 0.813 76 E HN 1.523 nan 8.360 nan 0.000 0.514 77 G N -0.537 108.242 108.800 -0.034 0.000 2.255 77 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.196 77 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.196 77 G C 0.579 175.393 174.900 -0.143 0.000 0.998 77 G CA -0.059 44.941 45.100 -0.165 0.000 0.656 77 G HN 0.261 nan 8.290 nan 0.000 0.490 78 Y N -0.675 119.869 120.300 0.407 0.000 2.529 78 Y HA 0.570 5.120 4.550 -0.000 0.000 0.290 78 Y C 1.043 177.289 175.900 0.576 0.000 1.177 78 Y CA 0.190 58.583 58.100 0.488 0.000 1.305 78 Y CB 0.226 38.986 38.460 0.499 0.000 1.047 78 Y HN 0.210 nan 8.280 nan 0.000 0.522 79 F N 1.145 121.296 119.950 0.336 0.000 2.566 79 F HA 0.228 4.755 4.527 -0.000 0.000 0.352 79 F C -0.256 175.597 175.800 0.089 0.000 1.534 79 F CA -1.984 56.127 58.000 0.185 0.000 1.097 79 F CB 0.022 39.155 39.000 0.221 0.000 1.488 79 F HN 0.017 nan 8.300 nan 0.000 0.562 80 W N 2.334 123.657 121.300 0.039 0.000 2.112 80 W HA 0.213 4.873 4.660 -0.000 0.000 0.349 80 W C 0.350 176.740 176.519 -0.215 0.000 1.289 80 W CA 0.020 57.291 57.345 -0.123 0.000 1.256 80 W CB -0.097 29.380 29.460 0.027 0.000 1.148 80 W HN 0.555 nan 8.180 nan 0.000 0.590 81 H N -1.717 117.293 119.070 -0.101 0.000 3.058 81 H HA 0.305 4.861 4.556 -0.000 0.000 0.258 81 H C -0.761 174.501 175.328 -0.111 0.000 1.015 81 H CA -0.163 55.739 56.048 -0.244 0.000 1.210 81 H CB 0.784 30.390 29.762 -0.259 0.000 1.481 81 H HN 0.260 nan 8.280 nan 0.000 0.492 82 D N -0.323 120.002 120.400 -0.124 0.000 2.596 82 D HA 0.193 4.833 4.640 -0.000 0.000 0.262 82 D C -0.381 175.725 176.300 -0.323 0.000 1.210 82 D CA -0.707 53.143 54.000 -0.251 0.000 0.873 82 D CB 1.619 42.257 40.800 -0.269 0.000 1.408 82 D HN -0.094 nan 8.370 nan 0.000 0.441 83 F N 0.213 119.904 119.950 -0.431 0.000 2.732 83 F HA 0.143 4.670 4.527 -0.000 0.000 0.303 83 F C 1.247 176.888 175.800 -0.265 0.000 1.110 83 F CA -0.516 57.110 58.000 -0.624 0.000 1.355 83 F CB -0.572 37.979 39.000 -0.749 0.000 1.081 83 F HN 0.070 nan 8.300 nan 0.000 0.565 84 N N 1.874 120.548 118.700 -0.043 0.000 2.468 84 N HA -0.065 4.675 4.740 -0.000 0.000 0.265 84 N C 0.886 176.387 175.510 -0.016 0.000 1.199 84 N CA 0.257 53.294 53.050 -0.023 0.000 0.928 84 N CB 0.816 39.289 38.487 -0.023 0.000 1.059 84 N HN -0.002 nan 8.380 nan 0.000 0.467 85 K N 2.299 122.697 120.400 -0.003 0.000 2.487 85 K HA 0.027 4.347 4.320 -0.000 0.000 0.192 85 K C -0.301 176.357 176.600 0.097 0.000 1.027 85 K CA 0.252 56.544 56.287 0.008 0.000 1.054 85 K CB -0.438 32.020 32.500 -0.070 0.000 0.824 85 K HN 0.504 nan 8.250 nan 0.000 0.510 86 N N 1.398 120.159 118.700 0.102 0.000 2.868 86 N HA 0.178 4.918 4.740 -0.000 0.000 0.252 86 N C 0.200 175.832 175.510 0.202 0.000 1.130 86 N CA -0.185 52.963 53.050 0.164 0.000 1.026 86 N CB 1.072 39.656 38.487 0.161 0.000 1.335 86 N HN 0.139 nan 8.380 nan 0.000 0.516 87 G N -0.031 108.873 108.800 0.174 0.000 3.119 87 G HA2 0.207 4.166 3.960 -0.000 0.000 0.206 87 G HA3 0.207 4.166 3.960 -0.000 0.000 0.206 87 G C 0.659 175.670 174.900 0.185 0.000 1.313 87 G CA -0.562 44.635 45.100 0.161 0.000 1.010 87 G HN 0.281 nan 8.290 nan 0.000 0.578 88 R N -0.892 119.630 120.500 0.037 0.000 2.299 88 R HA 0.061 4.401 4.340 -0.000 0.000 0.197 88 R C 1.335 177.408 176.300 -0.379 0.000 0.971 88 R CA 0.469 56.467 56.100 -0.169 0.000 1.030 88 R CB -0.051 30.079 30.300 -0.283 0.000 0.932 88 R HN 0.546 nan 8.270 nan 0.000 0.477 89 Y N 0.031 120.178 120.300 -0.255 0.000 2.510 89 Y HA 0.242 4.792 4.550 -0.000 0.000 0.273 89 Y C 1.456 176.989 175.900 -0.611 0.000 1.119 89 Y CA 0.562 58.347 58.100 -0.524 0.000 1.286 89 Y CB 0.764 38.730 38.460 -0.824 0.000 1.061 89 Y HN 0.157 nan 8.280 nan 0.000 0.542 90 G N -0.645 108.074 108.800 -0.135 0.000 2.369 90 G HA2 0.197 4.157 3.960 -0.000 0.000 0.307 90 G HA3 0.197 4.157 3.960 -0.000 0.000 0.307 90 G C -0.929 174.144 174.900 0.288 0.000 1.327 90 G CA -0.658 44.493 45.100 0.085 0.000 0.963 90 G HN 0.191 nan 8.290 nan 0.000 0.590 91 S N -0.727 115.132 115.700 0.265 0.000 2.645 91 S HA 0.417 4.886 4.470 -0.000 0.000 0.266 91 S C 1.118 175.856 174.600 0.229 0.000 1.258 91 S CA 0.744 59.074 58.200 0.217 0.000 0.990 91 S CB 1.749 65.035 63.200 0.143 0.000 0.967 91 S HN 0.835 nan 8.310 nan 0.000 0.556 92 D N 1.042 121.542 120.400 0.166 0.000 2.104 92 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 92 D C 2.043 178.416 176.300 0.121 0.000 0.994 92 D CA 1.697 55.790 54.000 0.154 0.000 0.830 92 D CB -0.450 40.443 40.800 0.155 0.000 0.959 92 D HN 0.710 nan 8.370 nan 0.000 0.452 93 A N 0.563 123.438 122.820 0.092 0.000 1.940 93 A HA -0.221 4.098 4.320 -0.000 0.000 0.219 93 A C 2.232 179.841 177.584 0.043 0.000 1.176 93 A CA 1.615 53.683 52.037 0.052 0.000 0.631 93 A CB -0.635 18.393 19.000 0.045 0.000 0.814 93 A HN 0.381 nan 8.150 nan 0.000 0.446 94 Q N -1.222 118.629 119.800 0.085 0.000 2.172 94 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 94 Q C 2.039 178.034 176.000 -0.010 0.000 0.964 94 Q CA 1.162 57.024 55.803 0.098 0.000 0.855 94 Q CB -0.272 28.596 28.738 0.218 0.000 0.918 94 Q HN 0.600 nan 8.270 nan 0.000 0.444 95 L N 1.054 122.187 121.223 -0.149 0.000 1.994 95 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 95 L C 2.059 178.819 176.870 -0.184 0.000 1.071 95 L CA 1.788 56.310 54.840 -0.530 0.000 0.745 95 L CB -0.315 41.411 42.059 -0.556 0.000 0.892 95 L HN -0.008 nan 8.230 nan 0.000 0.431 96 R N -0.819 119.653 120.500 -0.046 0.000 2.091 96 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 96 R C 2.286 178.548 176.300 -0.063 0.000 1.136 96 R CA 1.946 58.012 56.100 -0.057 0.000 0.959 96 R CB -0.464 29.772 30.300 -0.107 0.000 0.856 96 R HN 0.562 nan 8.270 nan 0.000 0.437 97 Q N -0.043 119.726 119.800 -0.052 0.000 2.084 97 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 97 Q C 2.221 178.192 176.000 -0.048 0.000 0.978 97 Q CA 1.648 57.427 55.803 -0.040 0.000 0.844 97 Q CB -0.114 28.611 28.738 -0.020 0.000 0.898 97 Q HN 0.388 nan 8.270 nan 0.000 0.426 98 A N 0.876 123.657 122.820 -0.065 0.000 1.873 98 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 98 A C 2.270 179.808 177.584 -0.077 0.000 1.186 98 A CA 1.568 53.561 52.037 -0.073 0.000 0.616 98 A CB -0.882 18.068 19.000 -0.083 0.000 0.823 98 A HN 0.398 nan 8.150 nan 0.000 0.442 99 A N -1.132 121.642 122.820 -0.077 0.000 1.969 99 A HA -0.054 4.265 4.320 -0.000 0.000 0.218 99 A C 2.432 179.990 177.584 -0.043 0.000 1.169 99 A CA 2.015 54.023 52.037 -0.048 0.000 0.635 99 A CB -0.787 18.232 19.000 0.032 0.000 0.810 99 A HN 0.473 nan 8.150 nan 0.000 0.445 100 S N -0.617 115.056 115.700 -0.044 0.000 2.355 100 S HA 0.001 4.471 4.470 -0.000 0.000 0.222 100 S C 2.234 176.812 174.600 -0.038 0.000 1.031 100 S CA 1.362 59.538 58.200 -0.041 0.000 0.993 100 S CB -0.396 62.777 63.200 -0.044 0.000 0.859 100 S HN 0.770 nan 8.310 nan 0.000 0.453 101 A N 1.096 123.892 122.820 -0.040 0.000 1.902 101 A HA 0.035 4.354 4.320 -0.000 0.000 0.217 101 A C 2.143 179.706 177.584 -0.035 0.000 1.181 101 A CA 1.274 53.289 52.037 -0.037 0.000 0.623 101 A CB -0.709 18.267 19.000 -0.040 0.000 0.818 101 A HN 0.534 nan 8.150 nan 0.000 0.443 102 L N -0.784 120.413 121.223 -0.043 0.000 2.005 102 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 102 L C 2.887 179.736 176.870 -0.035 0.000 1.072 102 L CA 1.230 56.046 54.840 -0.040 0.000 0.744 102 L CB -0.861 41.163 42.059 -0.057 0.000 0.895 102 L HN 0.459 nan 8.230 nan 0.000 0.433 103 G N -0.567 108.208 108.800 -0.042 0.000 2.450 103 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 103 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 103 G C 1.560 176.445 174.900 -0.026 0.000 1.130 103 G CA 0.775 45.852 45.100 -0.037 0.000 0.760 103 G HN 0.512 nan 8.290 nan 0.000 0.557 104 G N 0.611 109.397 108.800 -0.024 0.000 2.448 104 G HA2 0.168 4.128 3.960 -0.000 0.000 0.218 104 G HA3 0.168 4.128 3.960 -0.000 0.000 0.218 104 G C 1.774 176.665 174.900 -0.014 0.000 1.135 104 G CA 1.167 46.256 45.100 -0.019 0.000 0.784 104 G HN 0.621 nan 8.290 nan 0.000 0.543 105 A N -0.390 122.421 122.820 -0.014 0.000 2.238 105 A HA 0.467 4.787 4.320 -0.000 0.000 0.208 105 A C 1.981 179.563 177.584 -0.003 0.000 1.177 105 A CA 1.309 53.341 52.037 -0.007 0.000 0.804 105 A CB -0.367 18.631 19.000 -0.004 0.000 0.823 105 A HN 1.525 nan 8.150 nan 0.000 0.482 106 G N -1.721 107.074 108.800 -0.008 0.000 2.141 106 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.231 106 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.231 106 G C 0.053 174.947 174.900 -0.010 0.000 0.984 106 G CA 0.061 45.156 45.100 -0.008 0.000 0.660 106 G HN 0.861 nan 8.290 nan 0.000 0.525 107 V N 1.409 121.316 119.914 -0.011 0.000 2.383 107 V HA 0.393 4.513 4.120 -0.000 0.000 0.275 107 V C 0.828 176.887 176.094 -0.058 0.000 1.036 107 V CA -0.789 61.502 62.300 -0.014 0.000 0.889 107 V CB 1.357 33.191 31.823 0.019 0.000 0.985 107 V HN 0.337 nan 8.190 nan 0.000 0.459 108 K N 3.088 123.431 120.400 -0.094 0.000 2.355 108 K HA 0.393 4.713 4.320 -0.000 0.000 0.270 108 K C -0.604 175.897 176.600 -0.166 0.000 1.003 108 K CA -0.360 55.843 56.287 -0.140 0.000 0.957 108 K CB 1.083 33.459 32.500 -0.206 0.000 0.939 108 K HN 0.450 nan 8.250 nan 0.000 0.482 109 V N 5.024 124.813 119.914 -0.208 0.000 2.350 109 V HA 0.212 4.332 4.120 -0.000 0.000 0.276 109 V C -0.183 175.645 176.094 -0.444 0.000 1.028 109 V CA -0.646 61.455 62.300 -0.332 0.000 0.860 109 V CB 0.470 32.084 31.823 -0.349 0.000 0.990 109 V HN 0.520 nan 8.190 nan 0.000 0.453 110 L N 5.956 126.942 121.223 -0.395 0.000 2.287 110 L HA 0.553 4.893 4.340 -0.000 0.000 0.287 110 L C -0.865 175.759 176.870 -0.410 0.000 1.022 110 L CA -0.591 54.039 54.840 -0.350 0.000 0.814 110 L CB 1.005 42.992 42.059 -0.119 0.000 1.217 110 L HN 0.484 nan 8.230 nan 0.000 0.420 111 Y N 0.778 120.917 120.300 -0.268 0.000 2.352 111 Y HA 0.213 4.763 4.550 -0.000 0.000 0.326 111 Y C 0.476 176.273 175.900 -0.172 0.000 1.166 111 Y CA -0.455 57.535 58.100 -0.185 0.000 1.182 111 Y CB 1.086 39.412 38.460 -0.224 0.000 1.216 111 Y HN 0.458 nan 8.280 nan 0.000 0.474 112 D N 2.473 122.878 120.400 0.007 0.000 2.312 112 D HA 0.317 4.957 4.640 -0.000 0.000 0.252 112 D C -1.135 174.961 176.300 -0.341 0.000 1.150 112 D CA 0.031 54.000 54.000 -0.051 0.000 0.870 112 D CB 0.918 41.842 40.800 0.206 0.000 1.153 112 D HN 0.374 nan 8.370 nan 0.000 0.457 113 V N 1.486 121.161 119.914 -0.399 0.000 2.604 113 V HA 0.598 4.717 4.120 -0.000 0.000 0.305 113 V C -0.312 175.665 176.094 -0.195 0.000 1.043 113 V CA -0.875 61.056 62.300 -0.615 0.000 0.888 113 V CB 1.870 33.265 31.823 -0.714 0.000 0.995 113 V HN 0.207 nan 8.190 nan 0.000 0.429 114 V N 5.469 125.360 119.914 -0.038 0.000 2.235 114 V HA 0.366 4.486 4.120 -0.000 0.000 0.266 114 V C -1.857 174.479 176.094 0.403 0.000 1.055 114 V CA -1.019 61.462 62.300 0.302 0.000 0.844 114 V CB 0.942 33.035 31.823 0.451 0.000 1.097 114 V HN 0.849 nan 8.190 nan 0.000 0.453 115 P HA 0.032 nan 4.420 nan 0.000 0.235 115 P C 1.390 178.602 177.300 -0.147 0.000 1.177 115 P CA 0.581 63.337 63.100 -0.575 0.000 0.785 115 P CB 0.378 31.456 31.700 -1.037 0.000 0.885 116 N N 0.022 118.789 118.700 0.113 0.000 2.142 116 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 116 N C 0.717 176.388 175.510 0.268 0.000 1.023 116 N CA 0.920 54.172 53.050 0.337 0.000 0.852 116 N CB -0.029 38.843 38.487 0.642 0.000 0.998 116 N HN 0.244 nan 8.380 nan 0.000 0.424 117 H N -2.752 116.476 119.070 0.263 0.000 2.933 117 H HA 0.431 4.987 4.556 -0.000 0.000 0.310 117 H C -0.906 174.311 175.328 -0.184 0.000 1.351 117 H CA -1.030 55.109 56.048 0.152 0.000 1.137 117 H CB 0.762 30.655 29.762 0.217 0.000 1.853 117 H HN 0.113 nan 8.280 nan 0.000 0.539 118 M N 0.059 119.479 119.600 -0.300 0.000 2.644 118 M HA 0.361 4.841 4.480 -0.000 0.000 0.273 118 M C -1.745 173.946 176.300 -1.014 0.000 1.253 118 M CA -0.792 53.846 55.300 -1.104 0.000 0.852 118 M CB 2.840 34.624 32.600 -1.359 0.000 1.708 118 M HN 0.578 nan 8.290 nan 0.000 0.471 119 N N 1.413 119.409 118.700 -1.173 0.000 2.671 119 N HA 0.126 4.865 4.740 -0.000 0.000 0.274 119 N C 0.758 176.074 175.510 -0.324 0.000 1.188 119 N CA -0.119 52.365 53.050 -0.943 0.000 1.065 119 N CB 0.486 38.653 38.487 -0.534 0.000 1.415 119 N HN 0.678 nan 8.380 nan 0.000 0.511 120 R N 2.087 122.434 120.500 -0.255 0.000 2.103 120 R HA -0.131 4.208 4.340 -0.000 0.000 0.242 120 R C 1.794 178.028 176.300 -0.110 0.000 1.142 120 R CA 1.888 57.886 56.100 -0.171 0.000 0.960 120 R CB -0.198 29.860 30.300 -0.403 0.000 0.858 120 R HN 0.541 nan 8.270 nan 0.000 0.439 121 G N -1.172 107.597 108.800 -0.051 0.000 2.813 121 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.209 121 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.209 121 G C -0.048 174.851 174.900 -0.002 0.000 1.150 121 G CA -0.356 44.732 45.100 -0.020 0.000 0.785 121 G HN 0.300 nan 8.290 nan 0.000 0.535 122 Y N 2.852 123.100 120.300 -0.087 0.000 2.650 122 Y HA 0.128 4.678 4.550 -0.000 0.000 0.331 122 Y C -0.601 175.225 175.900 -0.122 0.000 1.165 122 Y CA -2.137 55.887 58.100 -0.127 0.000 1.473 122 Y CB 1.371 39.678 38.460 -0.256 0.000 1.224 122 Y HN 0.012 nan 8.280 nan 0.000 0.533 123 P HA -0.167 nan 4.420 nan 0.000 0.214 123 P C -0.137 176.992 177.300 -0.285 0.000 1.162 123 P CA 1.343 64.209 63.100 -0.390 0.000 0.879 123 P CB 0.251 31.715 31.700 -0.393 0.000 0.786 124 D N 0.647 120.825 120.400 -0.370 0.000 2.456 124 D HA 0.222 4.862 4.640 -0.000 0.000 0.219 124 D C -0.287 176.122 176.300 0.182 0.000 1.126 124 D CA -0.443 53.534 54.000 -0.039 0.000 0.890 124 D CB -0.076 40.736 40.800 0.021 0.000 1.025 124 D HN 0.184 nan 8.370 nan 0.000 0.511 125 K N 1.166 121.649 120.400 0.138 0.000 2.536 125 K HA 0.424 4.744 4.320 -0.000 0.000 0.269 125 K C -0.017 176.627 176.600 0.073 0.000 0.965 125 K CA -0.851 55.557 56.287 0.202 0.000 0.860 125 K CB 1.441 34.085 32.500 0.239 0.000 1.423 125 K HN -0.047 nan 8.250 nan 0.000 0.438 126 E N 0.790 121.009 120.200 0.031 0.000 2.442 126 E HA 0.134 4.483 4.350 -0.000 0.000 0.195 126 E C -0.080 176.449 176.600 -0.118 0.000 1.030 126 E CA 0.388 56.762 56.400 -0.044 0.000 0.869 126 E CB 0.118 29.782 29.700 -0.060 0.000 0.857 126 E HN 0.380 nan 8.360 nan 0.000 0.505 127 I N 2.041 122.522 120.570 -0.150 0.000 2.382 127 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 127 I C -1.075 174.953 176.117 -0.148 0.000 1.007 127 I CA -0.509 60.651 61.300 -0.233 0.000 1.142 127 I CB 1.183 38.941 38.000 -0.404 0.000 1.289 127 I HN -0.115 nan 8.210 nan 0.000 0.453 128 N N 7.412 126.031 118.700 -0.134 0.000 2.504 128 N HA 0.540 5.280 4.740 -0.000 0.000 0.280 128 N C -1.371 174.086 175.510 -0.089 0.000 1.052 128 N CA -0.486 52.530 53.050 -0.056 0.000 0.887 128 N CB 1.730 40.201 38.487 -0.026 0.000 1.323 128 N HN 0.369 nan 8.380 nan 0.000 0.509 129 L N 3.164 124.374 121.223 -0.021 0.000 2.298 129 L HA 0.620 4.959 4.340 -0.000 0.000 0.284 129 L C -1.985 175.118 176.870 0.388 0.000 1.013 129 L CA -1.759 53.022 54.840 -0.099 0.000 0.824 129 L CB 1.163 42.891 42.059 -0.552 0.000 1.221 129 L HN 0.303 nan 8.230 nan 0.000 0.418 130 P HA 0.250 nan 4.420 nan 0.000 0.274 130 P C -0.696 176.897 177.300 0.488 0.000 1.256 130 P CA -0.463 62.842 63.100 0.341 0.000 0.795 130 P CB 1.225 33.061 31.700 0.226 0.000 1.038 131 A N -0.214 122.774 122.820 0.281 0.000 2.286 131 A HA 0.560 4.880 4.320 -0.000 0.000 0.286 131 A C 1.193 178.871 177.584 0.157 0.000 1.097 131 A CA 0.160 52.338 52.037 0.234 0.000 0.821 131 A CB -0.692 18.355 19.000 0.079 0.000 1.076 131 A HN 0.861 nan 8.150 nan 0.000 0.490 132 G N -0.417 108.456 108.800 0.121 0.000 2.143 132 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.249 132 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.249 132 G C 0.471 175.364 174.900 -0.011 0.000 0.981 132 G CA 0.636 45.767 45.100 0.053 0.000 0.665 132 G HN 0.695 nan 8.290 nan 0.000 0.528 133 Q N -0.815 118.927 119.800 -0.095 0.000 2.217 133 Q HA 0.361 4.701 4.340 -0.000 0.000 0.217 133 Q C 1.724 177.424 176.000 -0.499 0.000 0.844 133 Q CA 0.726 56.315 55.803 -0.357 0.000 0.957 133 Q CB 1.085 29.484 28.738 -0.564 0.000 1.127 133 Q HN 1.562 nan 8.270 nan 0.000 0.503 134 G N 1.150 109.790 108.800 -0.268 0.000 2.137 134 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.237 134 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.237 134 G C 0.274 175.103 174.900 -0.118 0.000 1.002 134 G CA 0.121 45.166 45.100 -0.090 0.000 0.702 134 G HN 0.299 nan 8.290 nan 0.000 0.515 135 F N -1.122 118.773 119.950 -0.091 0.000 2.456 135 F HA 0.359 4.886 4.527 -0.000 0.000 0.298 135 F C 1.472 176.998 175.800 -0.456 0.000 1.104 135 F CA 0.013 57.766 58.000 -0.413 0.000 1.435 135 F CB -0.065 38.539 39.000 -0.660 0.000 1.078 135 F HN 0.306 nan 8.300 nan 0.000 0.546 136 W N -0.508 120.915 121.300 0.204 0.000 2.719 136 W HA 0.486 5.146 4.660 -0.000 0.000 0.352 136 W C 1.645 178.254 176.519 0.150 0.000 1.085 136 W CA -1.070 56.378 57.345 0.171 0.000 1.187 136 W CB 0.685 30.226 29.460 0.136 0.000 1.417 136 W HN -0.433 nan 8.180 nan 0.000 0.557 137 R N 1.423 122.182 120.500 0.431 0.000 2.073 137 R HA -0.228 4.112 4.340 -0.000 0.000 0.234 137 R C 1.572 178.018 176.300 0.245 0.000 1.134 137 R CA 2.204 58.484 56.100 0.300 0.000 0.952 137 R CB -0.390 30.087 30.300 0.295 0.000 0.850 137 R HN 0.658 nan 8.270 nan 0.000 0.433 138 N N 0.265 119.116 118.700 0.252 0.000 2.571 138 N HA -0.124 4.616 4.740 -0.000 0.000 0.189 138 N C 0.366 175.964 175.510 0.146 0.000 1.154 138 N CA 0.943 54.089 53.050 0.160 0.000 0.907 138 N CB -0.186 38.362 38.487 0.100 0.000 0.977 138 N HN 0.221 nan 8.380 nan 0.000 0.449 139 D N -0.239 120.281 120.400 0.199 0.000 2.269 139 D HA 0.032 4.672 4.640 -0.000 0.000 0.208 139 D C 0.075 176.442 176.300 0.112 0.000 0.963 139 D CA 0.360 54.456 54.000 0.159 0.000 0.864 139 D CB 0.132 41.044 40.800 0.187 0.000 0.936 139 D HN 0.286 nan 8.370 nan 0.000 0.505 140 c N -0.181 118.492 118.600 0.120 0.000 2.564 140 c HA 0.788 5.357 4.570 -0.000 0.000 0.381 140 c C 0.375 174.518 174.090 0.088 0.000 1.297 140 c CA -1.180 55.207 56.329 0.096 0.000 1.846 140 c CB 1.314 43.885 42.510 0.103 0.000 2.198 140 c HN 0.243 nan 8.230 nan 0.000 0.507 141 A N 1.162 124.028 122.820 0.076 0.000 2.404 141 A HA 0.417 4.737 4.320 -0.000 0.000 0.273 141 A C -0.354 177.280 177.584 0.083 0.000 1.144 141 A CA 0.387 52.464 52.037 0.067 0.000 0.806 141 A CB -0.084 18.948 19.000 0.053 0.000 1.080 141 A HN 0.825 nan 8.150 nan 0.000 0.509 142 D N 4.052 124.499 120.400 0.078 0.000 2.485 142 D HA 0.289 4.929 4.640 -0.000 0.000 0.256 142 D C -0.687 175.655 176.300 0.071 0.000 1.141 142 D CA -1.528 52.525 54.000 0.089 0.000 0.942 142 D CB 0.713 41.567 40.800 0.091 0.000 1.003 142 D HN 0.364 nan 8.370 nan 0.000 0.507 143 P HA 0.003 nan 4.420 nan 0.000 0.211 143 P C 0.657 177.986 177.300 0.048 0.000 1.181 143 P CA 0.954 64.085 63.100 0.051 0.000 0.929 143 P CB 0.343 32.073 31.700 0.050 0.000 0.789 144 G N -1.582 107.264 108.800 0.076 0.000 2.753 144 G HA2 0.170 4.130 3.960 -0.000 0.000 0.303 144 G HA3 0.170 4.130 3.960 -0.000 0.000 0.303 144 G C -1.353 173.612 174.900 0.108 0.000 1.242 144 G CA -0.587 44.551 45.100 0.064 0.000 0.810 144 G HN 0.303 nan 8.290 nan 0.000 0.515 145 N N 0.074 118.822 118.700 0.080 0.000 2.549 145 N HA 0.346 5.086 4.740 -0.000 0.000 0.267 145 N C -1.327 174.274 175.510 0.152 0.000 1.182 145 N CA -0.045 53.052 53.050 0.079 0.000 1.019 145 N CB -0.031 38.460 38.487 0.007 0.000 1.380 145 N HN 0.453 nan 8.380 nan 0.000 0.505 146 Y N 2.611 122.926 120.300 0.026 0.000 2.620 146 Y HA 0.299 4.849 4.550 -0.000 0.000 0.331 146 Y C -2.723 173.224 175.900 0.078 0.000 1.173 146 Y CA -1.686 56.438 58.100 0.041 0.000 1.076 146 Y CB 1.466 39.958 38.460 0.053 0.000 1.336 146 Y HN 0.357 nan 8.280 nan 0.000 0.459 147 P HA 0.117 nan 4.420 nan 0.000 0.265 147 P C -1.138 176.247 177.300 0.141 0.000 1.193 147 P CA 0.361 63.389 63.100 -0.120 0.000 0.765 147 P CB 0.424 31.968 31.700 -0.259 0.000 0.823 148 N N 1.352 120.141 118.700 0.150 0.000 3.100 148 N HA 0.213 4.953 4.740 -0.000 0.000 0.344 148 N C 0.112 175.702 175.510 0.134 0.000 1.413 148 N CA -0.397 52.755 53.050 0.168 0.000 0.752 148 N CB 0.110 38.694 38.487 0.163 0.000 1.519 148 N HN 0.078 nan 8.380 nan 0.000 0.620 149 D N -0.732 119.738 120.400 0.118 0.000 2.347 149 D HA 0.086 4.726 4.640 -0.000 0.000 0.213 149 D C 0.290 176.652 176.300 0.103 0.000 0.985 149 D CA 0.564 54.622 54.000 0.097 0.000 0.879 149 D CB -0.138 40.708 40.800 0.076 0.000 0.919 149 D HN 0.398 nan 8.370 nan 0.000 0.526 150 c N 0.783 119.460 118.600 0.128 0.000 2.884 150 c HA 0.200 4.770 4.570 -0.000 0.000 0.287 150 c C 0.193 174.390 174.090 0.179 0.000 1.310 150 c CA -0.477 55.942 56.329 0.150 0.000 1.725 150 c CB -0.437 42.171 42.510 0.164 0.000 2.060 150 c HN 0.139 nan 8.230 nan 0.000 0.618 151 D N 0.442 120.944 120.400 0.169 0.000 2.400 151 D HA 0.091 4.731 4.640 -0.000 0.000 0.197 151 D C -0.771 175.621 176.300 0.154 0.000 1.295 151 D CA -0.056 54.061 54.000 0.195 0.000 0.878 151 D CB 0.628 41.567 40.800 0.231 0.000 1.659 151 D HN 0.198 nan 8.370 nan 0.000 0.546 152 D N 1.947 122.435 120.400 0.147 0.000 2.434 152 D HA 0.379 5.019 4.640 -0.000 0.000 0.232 152 D C 0.682 177.027 176.300 0.074 0.000 1.166 152 D CA -0.293 53.762 54.000 0.091 0.000 0.830 152 D CB 0.279 41.126 40.800 0.077 0.000 0.960 152 D HN 0.379 nan 8.370 nan 0.000 0.497 153 G N -0.951 107.910 108.800 0.102 0.000 2.827 153 G HA2 0.376 4.336 3.960 -0.000 0.000 0.296 153 G HA3 0.376 4.336 3.960 -0.000 0.000 0.296 153 G C -0.968 173.968 174.900 0.059 0.000 1.362 153 G CA -0.816 44.322 45.100 0.063 0.000 0.809 153 G HN -0.040 nan 8.290 nan 0.000 0.522 154 D N -0.150 120.268 120.400 0.030 0.000 2.393 154 D HA 0.353 4.993 4.640 -0.000 0.000 0.246 154 D C 0.872 177.344 176.300 0.285 0.000 1.275 154 D CA 0.093 54.134 54.000 0.068 0.000 0.979 154 D CB 0.663 41.428 40.800 -0.059 0.000 1.101 154 D HN 0.586 nan 8.370 nan 0.000 0.505 155 R N -0.621 120.056 120.500 0.296 0.000 2.856 155 R HA 0.520 4.860 4.340 -0.000 0.000 0.258 155 R C -1.034 175.512 176.300 0.409 0.000 1.066 155 R CA -0.786 55.520 56.100 0.343 0.000 1.045 155 R CB 0.679 31.102 30.300 0.205 0.000 1.178 155 R HN 0.308 nan 8.270 nan 0.000 0.499 156 F N 3.542 123.545 119.950 0.088 0.000 2.334 156 F HA 0.353 4.880 4.527 -0.000 0.000 0.367 156 F C 0.816 176.524 175.800 -0.155 0.000 1.115 156 F CA -0.810 57.064 58.000 -0.210 0.000 1.116 156 F CB -0.384 38.274 39.000 -0.570 0.000 1.230 156 F HN 0.854 nan 8.300 nan 0.000 0.484 157 I N 3.070 123.244 120.570 -0.660 0.000 4.904 157 I HA -0.469 3.701 4.170 -0.000 0.000 0.038 157 I C 1.945 177.874 176.117 -0.313 0.000 0.635 157 I CA 1.637 62.572 61.300 -0.609 0.000 0.225 157 I CB -1.456 35.960 38.000 -0.974 0.000 0.329 157 I HN 0.606 nan 8.210 nan 0.000 0.150 158 G N -0.065 108.560 108.800 -0.292 0.000 2.421 158 G HA2 0.260 4.220 3.960 -0.000 0.000 0.217 158 G HA3 0.260 4.220 3.960 -0.000 0.000 0.217 158 G C 1.192 176.065 174.900 -0.045 0.000 1.143 158 G CA 1.360 46.376 45.100 -0.140 0.000 0.784 158 G HN 1.869 nan 8.290 nan 0.000 0.541 159 G N 0.672 109.470 108.800 -0.003 0.000 2.141 159 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.242 159 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.242 159 G C 0.854 175.842 174.900 0.147 0.000 0.982 159 G CA 0.835 46.005 45.100 0.117 0.000 0.662 159 G HN 0.637 nan 8.290 nan 0.000 0.527 160 D N -0.052 120.406 120.400 0.097 0.000 2.347 160 D HA 0.364 5.004 4.640 -0.000 0.000 0.213 160 D C 1.843 178.193 176.300 0.083 0.000 0.985 160 D CA 0.931 54.968 54.000 0.063 0.000 0.879 160 D CB -0.176 40.623 40.800 -0.001 0.000 0.919 160 D HN 0.798 nan 8.370 nan 0.000 0.526 161 A N 0.220 123.187 122.820 0.244 0.000 2.390 161 A HA 0.147 4.467 4.320 -0.000 0.000 0.232 161 A C 0.100 178.030 177.584 0.578 0.000 1.233 161 A CA -0.385 51.865 52.037 0.355 0.000 0.907 161 A CB 0.018 19.314 19.000 0.492 0.000 0.967 161 A HN -0.059 nan 8.150 nan 0.000 0.512 162 D N 0.406 121.121 120.400 0.524 0.000 2.425 162 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 162 D C -0.187 176.435 176.300 0.536 0.000 1.147 162 D CA 0.651 54.960 54.000 0.516 0.000 0.879 162 D CB 0.674 41.727 40.800 0.422 0.000 1.179 162 D HN 0.258 nan 8.370 nan 0.000 0.456 163 L N 2.600 124.044 121.223 0.369 0.000 2.379 163 L HA 0.284 4.624 4.340 -0.000 0.000 0.269 163 L C 0.680 177.685 176.870 0.225 0.000 1.084 163 L CA -0.785 54.142 54.840 0.145 0.000 0.802 163 L CB 0.756 42.867 42.059 0.086 0.000 1.175 163 L HN 0.323 nan 8.230 nan 0.000 0.448 164 N N 0.489 119.287 118.700 0.164 0.000 2.807 164 N HA -0.003 4.736 4.740 -0.000 0.000 0.259 164 N C 1.025 176.696 175.510 0.269 0.000 1.149 164 N CA -0.066 53.117 53.050 0.221 0.000 1.042 164 N CB 0.508 39.119 38.487 0.206 0.000 1.367 164 N HN 0.694 nan 8.380 nan 0.000 0.516 165 T N -1.401 113.337 114.554 0.306 0.000 3.025 165 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 165 T C 1.603 176.512 174.700 0.348 0.000 1.126 165 T CA 0.966 63.303 62.100 0.396 0.000 1.105 165 T CB -0.181 68.917 68.868 0.383 0.000 0.884 165 T HN 0.317 nan 8.240 nan 0.000 0.522 166 G N -0.283 108.660 108.800 0.239 0.000 2.880 166 G HA2 0.085 4.045 3.960 -0.000 0.000 0.209 166 G HA3 0.085 4.045 3.960 -0.000 0.000 0.209 166 G C 0.299 175.295 174.900 0.160 0.000 1.157 166 G CA -0.469 44.712 45.100 0.136 0.000 0.779 166 G HN 0.739 nan 8.290 nan 0.000 0.539 167 H N 1.182 120.343 119.070 0.152 0.000 2.929 167 H HA 0.205 4.761 4.556 -0.000 0.000 0.317 167 H C -1.107 174.330 175.328 0.182 0.000 1.031 167 H CA -1.282 54.849 56.048 0.138 0.000 1.466 167 H CB 1.644 31.508 29.762 0.169 0.000 1.482 167 H HN -0.086 nan 8.280 nan 0.000 0.561 168 P HA -0.284 nan 4.420 nan 0.000 0.218 168 P C 1.180 178.690 177.300 0.350 0.000 1.154 168 P CA 1.704 64.897 63.100 0.155 0.000 0.872 168 P CB 0.161 31.853 31.700 -0.014 0.000 0.790 169 Q N -0.839 119.309 119.800 0.580 0.000 2.245 169 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 169 Q C 1.757 177.876 176.000 0.198 0.000 0.955 169 Q CA 0.917 56.947 55.803 0.379 0.000 0.870 169 Q CB -0.153 28.849 28.738 0.439 0.000 0.945 169 Q HN 0.045 nan 8.270 nan 0.000 0.461 170 V N 0.092 120.179 119.914 0.287 0.000 2.535 170 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 170 V C 1.824 178.113 176.094 0.325 0.000 1.045 170 V CA 1.493 63.883 62.300 0.150 0.000 1.058 170 V CB -0.684 31.251 31.823 0.187 0.000 0.689 170 V HN 0.471 nan 8.190 nan 0.000 0.461 171 Y N 2.193 122.709 120.300 0.360 0.000 2.128 171 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 171 Y C 2.309 178.481 175.900 0.454 0.000 1.154 171 Y CA 1.918 60.314 58.100 0.493 0.000 1.149 171 Y CB -0.817 37.770 38.460 0.212 0.000 0.976 171 Y HN 0.195 nan 8.280 nan 0.000 0.505 172 G N 0.317 109.268 108.800 0.252 0.000 2.421 172 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.216 172 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.216 172 G C 1.785 176.630 174.900 -0.091 0.000 1.171 172 G CA 0.987 46.150 45.100 0.105 0.000 0.775 172 G HN 0.518 nan 8.290 nan 0.000 0.543 173 M N -0.714 118.796 119.600 -0.151 0.000 2.117 173 M HA -0.002 4.478 4.480 -0.000 0.000 0.262 173 M C 2.277 178.242 176.300 -0.558 0.000 1.065 173 M CA 1.475 56.575 55.300 -0.334 0.000 1.114 173 M CB -0.182 32.160 32.600 -0.430 0.000 1.361 173 M HN 0.219 nan 8.290 nan 0.000 0.408 174 F N 0.000 119.661 119.950 -0.481 0.000 2.146 174 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 174 F C 2.706 177.613 175.800 -1.488 0.000 1.096 174 F CA 1.384 58.694 58.000 -1.150 0.000 1.275 174 F CB -0.912 37.284 39.000 -1.340 0.000 1.008 174 F HN 0.157 nan 8.300 nan 0.000 0.480 175 R N 0.673 120.757 120.500 -0.693 0.000 2.096 175 R HA -0.203 4.137 4.340 -0.000 0.000 0.240 175 R C 1.701 177.820 176.300 -0.302 0.000 1.139 175 R CA 2.257 58.134 56.100 -0.371 0.000 0.952 175 R CB -0.596 29.615 30.300 -0.148 0.000 0.854 175 R HN 0.215 nan 8.270 nan 0.000 0.436 176 D N -0.158 120.059 120.400 -0.305 0.000 2.144 176 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 176 D C 1.801 177.919 176.300 -0.302 0.000 0.978 176 D CA 1.042 54.911 54.000 -0.218 0.000 0.833 176 D CB -0.172 40.529 40.800 -0.164 0.000 0.961 176 D HN 0.274 nan 8.370 nan 0.000 0.470 177 E N 0.057 119.917 120.200 -0.567 0.000 2.106 177 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 177 E C 1.727 178.119 176.600 -0.346 0.000 0.984 177 E CA 0.715 56.719 56.400 -0.660 0.000 0.806 177 E CB -0.299 28.555 29.700 -1.411 0.000 0.750 177 E HN 0.103 nan 8.360 nan 0.000 0.458 178 F N 0.574 120.313 119.950 -0.351 0.000 2.134 178 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 178 F C 2.407 178.198 175.800 -0.015 0.000 1.097 178 F CA 1.570 59.370 58.000 -0.333 0.000 1.264 178 F CB -1.283 37.374 39.000 -0.571 0.000 1.001 178 F HN 0.047 nan 8.300 nan 0.000 0.479 179 T N -0.439 114.194 114.554 0.131 0.000 2.777 179 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 179 T C 1.982 176.745 174.700 0.105 0.000 1.040 179 T CA 1.291 63.467 62.100 0.128 0.000 1.141 179 T CB -0.484 68.425 68.868 0.070 0.000 0.868 179 T HN 0.351 nan 8.240 nan 0.000 0.444 180 N N 0.594 119.323 118.700 0.048 0.000 2.069 180 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 180 N C 1.877 177.494 175.510 0.178 0.000 1.031 180 N CA 0.972 54.065 53.050 0.072 0.000 0.852 180 N CB -0.129 38.357 38.487 -0.001 0.000 1.018 180 N HN 0.122 nan 8.380 nan 0.000 0.423 181 L N 1.959 123.270 121.223 0.147 0.000 2.083 181 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 181 L C 2.534 179.542 176.870 0.231 0.000 1.083 181 L CA 1.350 56.278 54.840 0.147 0.000 0.752 181 L CB -0.734 41.352 42.059 0.045 0.000 0.899 181 L HN 0.157 nan 8.230 nan 0.000 0.433 182 R N -1.305 119.343 120.500 0.246 0.000 2.073 182 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 182 R C 2.410 178.783 176.300 0.121 0.000 1.120 182 R CA 1.431 57.643 56.100 0.187 0.000 0.967 182 R CB -0.276 30.149 30.300 0.208 0.000 0.862 182 R HN 0.535 nan 8.270 nan 0.000 0.436 183 S N -0.387 115.377 115.700 0.107 0.000 2.458 183 S HA -0.022 4.448 4.470 -0.000 0.000 0.223 183 S C 1.487 176.082 174.600 -0.008 0.000 1.019 183 S CA 0.431 58.660 58.200 0.049 0.000 0.937 183 S CB 0.330 63.556 63.200 0.045 0.000 0.788 183 S HN 0.318 nan 8.310 nan 0.000 0.511 184 Q N -1.400 118.381 119.800 -0.032 0.000 2.245 184 Q HA 0.254 4.594 4.340 -0.000 0.000 0.236 184 Q C -0.132 175.553 176.000 -0.526 0.000 0.842 184 Q CA 0.160 55.796 55.803 -0.278 0.000 0.945 184 Q CB 0.522 29.013 28.738 -0.411 0.000 1.122 184 Q HN 0.705 nan 8.270 nan 0.000 0.506 185 Y N -0.194 120.089 120.300 -0.027 0.000 2.682 185 Y HA 0.314 4.864 4.550 -0.000 0.000 0.251 185 Y C 1.054 177.011 175.900 0.095 0.000 1.172 185 Y CA -0.074 58.014 58.100 -0.020 0.000 1.186 185 Y CB 1.263 39.622 38.460 -0.169 0.000 1.216 185 Y HN 0.140 nan 8.280 nan 0.000 0.540 186 G N 1.313 110.196 108.800 0.137 0.000 2.341 186 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.292 186 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.292 186 G C 0.396 175.362 174.900 0.109 0.000 1.021 186 G CA 0.190 45.345 45.100 0.091 0.000 0.905 186 G HN 0.659 nan 8.290 nan 0.000 0.508 187 A N -0.551 122.378 122.820 0.183 0.000 2.511 187 A HA 0.619 4.939 4.320 -0.000 0.000 0.242 187 A C 1.554 179.071 177.584 -0.110 0.000 1.069 187 A CA 1.107 53.173 52.037 0.048 0.000 0.763 187 A CB 0.723 19.732 19.000 0.015 0.000 1.001 187 A HN 1.539 nan 8.150 nan 0.000 0.498 188 G N 0.973 109.646 108.800 -0.212 0.000 3.159 188 G HA2 0.521 4.481 3.960 -0.000 0.000 0.232 188 G HA3 0.521 4.481 3.960 -0.000 0.000 0.232 188 G C 0.554 175.327 174.900 -0.211 0.000 1.116 188 G CA 0.762 45.759 45.100 -0.172 0.000 0.767 188 G HN 1.776 nan 8.290 nan 0.000 0.547 189 G N -0.955 107.567 108.800 -0.464 0.000 2.324 189 G HA2 0.431 4.391 3.960 -0.000 0.000 0.293 189 G HA3 0.431 4.391 3.960 -0.000 0.000 0.293 189 G C -1.930 172.348 174.900 -1.038 0.000 1.297 189 G CA -0.995 43.798 45.100 -0.511 0.000 0.853 189 G HN 0.146 nan 8.290 nan 0.000 0.535 190 F N -0.295 119.609 119.950 -0.077 0.000 2.588 190 F HA 0.771 5.298 4.527 -0.000 0.000 0.310 190 F C 0.224 175.871 175.800 -0.254 0.000 1.082 190 F CA -0.978 56.838 58.000 -0.306 0.000 0.929 190 F CB 2.427 40.963 39.000 -0.773 0.000 1.254 190 F HN 0.408 nan 8.300 nan 0.000 0.455 191 R N 2.537 122.930 120.500 -0.178 0.000 2.288 191 R HA 0.414 4.754 4.340 -0.000 0.000 0.326 191 R C -1.901 174.287 176.300 -0.186 0.000 0.959 191 R CA -0.420 55.559 56.100 -0.202 0.000 0.834 191 R CB 0.344 30.324 30.300 -0.532 0.000 1.157 191 R HN 0.590 nan 8.270 nan 0.000 0.470 192 F N 2.598 122.593 119.950 0.075 0.000 2.424 192 F HA 0.148 4.675 4.527 -0.000 0.000 0.356 192 F C 0.894 176.833 175.800 0.231 0.000 1.110 192 F CA -0.236 57.864 58.000 0.168 0.000 1.161 192 F CB 1.018 40.191 39.000 0.289 0.000 1.115 192 F HN 0.486 nan 8.300 nan 0.000 0.507 193 D N 2.468 123.128 120.400 0.433 0.000 2.264 193 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 193 D C -0.003 176.649 176.300 0.587 0.000 1.070 193 D CA -0.172 54.120 54.000 0.486 0.000 0.912 193 D CB 0.422 41.528 40.800 0.511 0.000 1.193 193 D HN 0.449 nan 8.370 nan 0.000 0.427 194 F N 2.800 122.906 119.950 0.261 0.000 2.829 194 F HA -0.273 4.254 4.527 -0.000 0.000 0.237 194 F C 1.077 176.857 175.800 -0.033 0.000 1.017 194 F CA 0.732 58.828 58.000 0.161 0.000 0.882 194 F CB -0.724 38.444 39.000 0.280 0.000 0.795 194 F HN 0.286 nan 8.300 nan 0.000 0.848 195 V N 1.333 121.128 119.914 -0.198 0.000 2.867 195 V HA -0.253 3.866 4.120 -0.000 0.000 0.260 195 V C 2.306 178.046 176.094 -0.589 0.000 1.099 195 V CA 1.994 63.978 62.300 -0.526 0.000 1.122 195 V CB -0.688 30.848 31.823 -0.480 0.000 0.708 195 V HN 0.726 nan 8.190 nan 0.000 0.490 196 R N 1.225 121.371 120.500 -0.590 0.000 2.189 196 R HA 0.083 4.423 4.340 -0.000 0.000 0.223 196 R C 2.070 178.137 176.300 -0.390 0.000 1.092 196 R CA 1.449 57.237 56.100 -0.521 0.000 0.989 196 R CB -1.041 28.858 30.300 -0.668 0.000 0.876 196 R HN 0.501 nan 8.270 nan 0.000 0.457 197 G N 0.347 108.963 108.800 -0.306 0.000 2.920 197 G HA2 0.039 3.999 3.960 -0.000 0.000 0.208 197 G HA3 0.039 3.999 3.960 -0.000 0.000 0.208 197 G C -0.222 174.864 174.900 0.310 0.000 1.159 197 G CA 0.170 45.409 45.100 0.232 0.000 0.784 197 G HN 0.522 nan 8.290 nan 0.000 0.535 198 Y N -3.749 116.693 120.300 0.236 0.000 2.713 198 Y HA 0.713 5.263 4.550 -0.000 0.000 0.335 198 Y C -0.136 175.867 175.900 0.171 0.000 1.222 198 Y CA -2.186 56.042 58.100 0.214 0.000 1.061 198 Y CB 0.488 39.121 38.460 0.287 0.000 1.314 198 Y HN 0.097 nan 8.280 nan 0.000 0.453 199 A N 1.845 124.831 122.820 0.278 0.000 2.477 199 A HA 0.442 4.762 4.320 -0.000 0.000 0.246 199 A C -1.966 175.705 177.584 0.144 0.000 1.078 199 A CA -1.112 51.010 52.037 0.142 0.000 0.770 199 A CB -0.217 18.819 19.000 0.059 0.000 1.011 199 A HN 0.659 nan 8.150 nan 0.000 0.494 200 P HA -0.129 nan 4.420 nan 0.000 0.216 200 P C 0.878 178.030 177.300 -0.246 0.000 1.150 200 P CA 1.287 64.271 63.100 -0.192 0.000 0.837 200 P CB 0.218 31.604 31.700 -0.524 0.000 0.786 201 E N -0.737 119.358 120.200 -0.174 0.000 2.153 201 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 201 E C 2.126 178.619 176.600 -0.177 0.000 0.988 201 E CA 0.858 57.152 56.400 -0.177 0.000 0.811 201 E CB -0.574 29.044 29.700 -0.137 0.000 0.746 201 E HN 0.138 nan 8.360 nan 0.000 0.466 202 R N -0.012 120.387 120.500 -0.169 0.000 2.115 202 R HA -0.078 4.262 4.340 -0.000 0.000 0.230 202 R C 1.760 177.891 176.300 -0.282 0.000 1.111 202 R CA 0.825 56.728 56.100 -0.327 0.000 0.976 202 R CB 0.006 30.046 30.300 -0.433 0.000 0.870 202 R HN 0.070 nan 8.270 nan 0.000 0.445 203 V N 1.287 121.141 119.914 -0.100 0.000 2.379 203 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 203 V C 2.219 178.259 176.094 -0.090 0.000 1.044 203 V CA 2.056 64.286 62.300 -0.117 0.000 1.036 203 V CB -0.800 30.865 31.823 -0.264 0.000 0.664 203 V HN 0.539 nan 8.190 nan 0.000 0.453 204 N N -0.159 118.455 118.700 -0.143 0.000 2.120 204 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 204 N C 2.060 177.575 175.510 0.009 0.000 1.024 204 N CA 1.645 54.641 53.050 -0.091 0.000 0.852 204 N CB 0.036 38.433 38.487 -0.149 0.000 1.003 204 N HN 0.393 nan 8.380 nan 0.000 0.424 205 S N 0.025 115.721 115.700 -0.007 0.000 2.353 205 S HA -0.106 4.363 4.470 -0.000 0.000 0.222 205 S C 1.476 176.247 174.600 0.285 0.000 1.035 205 S CA 0.861 59.098 58.200 0.061 0.000 1.025 205 S CB -0.308 62.839 63.200 -0.089 0.000 0.902 205 S HN 0.491 nan 8.310 nan 0.000 0.440 206 W N 1.078 122.546 121.300 0.280 0.000 2.363 206 W HA 0.017 4.677 4.660 -0.000 0.000 0.296 206 W C 2.230 178.880 176.519 0.217 0.000 1.212 206 W CA 0.671 58.176 57.345 0.267 0.000 1.260 206 W CB -0.894 28.759 29.460 0.321 0.000 1.131 206 W HN 0.343 nan 8.180 nan 0.000 0.530 207 M N -0.371 119.459 119.600 0.383 0.000 2.099 207 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 207 M C 1.935 178.372 176.300 0.228 0.000 1.067 207 M CA 1.680 57.149 55.300 0.281 0.000 1.124 207 M CB -1.936 30.787 32.600 0.206 0.000 1.353 207 M HN -0.164 nan 8.290 nan 0.000 0.410 208 T N 0.951 115.613 114.554 0.180 0.000 2.665 208 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 208 T C 1.396 176.195 174.700 0.166 0.000 1.035 208 T CA 1.787 63.971 62.100 0.140 0.000 1.151 208 T CB -0.310 68.615 68.868 0.095 0.000 0.862 208 T HN 0.277 nan 8.240 nan 0.000 0.438 209 D N 0.523 121.056 120.400 0.221 0.000 2.123 209 D HA 0.019 4.659 4.640 -0.000 0.000 0.200 209 D C 2.382 178.810 176.300 0.212 0.000 0.976 209 D CA 1.053 55.187 54.000 0.224 0.000 0.831 209 D CB -0.183 40.794 40.800 0.295 0.000 0.974 209 D HN 0.312 nan 8.370 nan 0.000 0.469 210 S N -0.963 114.891 115.700 0.256 0.000 2.499 210 S HA 0.388 4.858 4.470 -0.000 0.000 0.225 210 S C 1.009 175.765 174.600 0.260 0.000 1.050 210 S CA 0.269 58.620 58.200 0.253 0.000 0.928 210 S CB 1.290 64.675 63.200 0.309 0.000 0.803 210 S HN 0.276 nan 8.310 nan 0.000 0.506 211 A N 1.074 124.057 122.820 0.273 0.000 3.455 211 A HA 0.418 4.738 4.320 -0.000 0.000 0.225 211 A C 0.246 177.959 177.584 0.216 0.000 1.052 211 A CA -0.395 51.795 52.037 0.255 0.000 1.005 211 A CB -0.077 19.136 19.000 0.355 0.000 1.318 211 A HN 0.091 nan 8.150 nan 0.000 0.639 212 D N 0.812 121.316 120.400 0.174 0.000 2.158 212 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 212 D C 1.217 177.592 176.300 0.126 0.000 0.995 212 D CA 1.963 56.045 54.000 0.137 0.000 0.846 212 D CB 0.252 41.116 40.800 0.108 0.000 0.941 212 D HN 0.481 nan 8.370 nan 0.000 0.456 213 N N -0.295 118.486 118.700 0.135 0.000 2.270 213 N HA 0.075 4.815 4.740 -0.000 0.000 0.198 213 N C -0.128 175.510 175.510 0.213 0.000 1.117 213 N CA 0.004 53.138 53.050 0.140 0.000 0.845 213 N CB 0.617 39.169 38.487 0.109 0.000 0.980 213 N HN 0.044 nan 8.380 nan 0.000 0.486 214 S N 0.239 116.068 115.700 0.215 0.000 2.641 214 S HA 0.257 4.727 4.470 -0.000 0.000 0.261 214 S C -0.155 174.614 174.600 0.281 0.000 1.257 214 S CA -0.464 57.880 58.200 0.239 0.000 0.983 214 S CB 0.852 64.146 63.200 0.157 0.000 0.990 214 S HN 0.180 nan 8.310 nan 0.000 0.572 215 F N 1.352 121.356 119.950 0.090 0.000 2.385 215 F HA 0.564 5.091 4.527 -0.000 0.000 0.336 215 F C 0.043 175.891 175.800 0.079 0.000 1.100 215 F CA -0.766 57.286 58.000 0.087 0.000 1.116 215 F CB 0.486 39.472 39.000 -0.023 0.000 1.166 215 F HN 0.725 nan 8.300 nan 0.000 0.511 216 c N 4.923 123.151 118.600 -0.620 0.000 3.086 216 c HA 0.894 5.464 4.570 -0.000 0.000 0.311 216 c C -1.099 172.691 174.090 -0.501 0.000 1.260 216 c CA -1.187 55.004 56.329 -0.230 0.000 1.426 216 c CB 0.821 43.414 42.510 0.138 0.000 1.826 216 c HN 0.950 nan 8.230 nan 0.000 0.474 217 V N 1.067 120.911 119.914 -0.117 0.000 2.969 217 V HA 0.915 5.035 4.120 -0.000 0.000 0.304 217 V C -0.092 176.017 176.094 0.025 0.000 1.192 217 V CA 0.757 62.945 62.300 -0.188 0.000 0.962 217 V CB 2.104 33.677 31.823 -0.417 0.000 1.045 217 V HN 1.742 nan 8.190 nan 0.000 0.428 218 G N 2.991 111.776 108.800 -0.025 0.000 2.448 218 G HA2 0.603 4.563 3.960 -0.000 0.000 0.324 218 G HA3 0.603 4.563 3.960 -0.000 0.000 0.324 218 G C -1.157 173.670 174.900 -0.121 0.000 1.203 218 G CA -0.441 44.572 45.100 -0.146 0.000 0.954 218 G HN 0.815 nan 8.290 nan 0.000 0.480 219 E N 1.580 121.818 120.200 0.063 0.000 2.035 219 E HA 0.287 4.636 4.350 -0.000 0.000 0.271 219 E C -1.236 175.297 176.600 -0.112 0.000 0.953 219 E CA -0.685 55.857 56.400 0.237 0.000 0.777 219 E CB 1.158 31.027 29.700 0.282 0.000 1.104 219 E HN 0.253 nan 8.360 nan 0.000 0.408 220 L N 7.185 128.301 121.223 -0.178 0.000 2.301 220 L HA 0.361 4.701 4.340 -0.000 0.000 0.278 220 L C -1.735 175.019 176.870 -0.194 0.000 1.022 220 L CA -0.561 54.101 54.840 -0.296 0.000 0.854 220 L CB 0.651 42.451 42.059 -0.431 0.000 1.226 220 L HN 0.523 nan 8.230 nan 0.000 0.429 221 W N 7.366 128.347 121.300 -0.532 0.000 2.347 221 W HA 0.544 5.204 4.660 -0.000 0.000 0.321 221 W C -1.014 175.252 176.519 -0.421 0.000 0.971 221 W CA -1.154 55.777 57.345 -0.691 0.000 1.508 221 W CB 0.466 29.421 29.460 -0.842 0.000 1.299 221 W HN 0.637 nan 8.180 nan 0.000 0.399 222 K N 3.532 123.900 120.400 -0.053 0.000 2.606 222 K HA 0.446 4.766 4.320 -0.000 0.000 0.259 222 K C 0.065 176.390 176.600 -0.459 0.000 1.001 222 K CA -0.429 55.675 56.287 -0.304 0.000 0.881 222 K CB 0.851 33.113 32.500 -0.396 0.000 1.288 222 K HN 0.468 nan 8.250 nan 0.000 0.452 223 G N 3.311 111.724 108.800 -0.646 0.000 2.537 223 G HA2 0.268 4.228 3.960 -0.000 0.000 0.273 223 G HA3 0.268 4.228 3.960 -0.000 0.000 0.273 223 G C -1.826 172.781 174.900 -0.489 0.000 1.189 223 G CA -1.441 43.008 45.100 -1.085 0.000 0.881 223 G HN 0.360 nan 8.290 nan 0.000 0.535 224 P HA -0.209 nan 4.420 nan 0.000 0.216 224 P C 2.194 179.443 177.300 -0.085 0.000 1.157 224 P CA 2.262 65.230 63.100 -0.219 0.000 0.880 224 P CB 0.008 31.575 31.700 -0.221 0.000 0.791 225 S N -1.008 114.621 115.700 -0.119 0.000 2.584 225 S HA -0.117 4.353 4.470 -0.000 0.000 0.240 225 S C 1.562 176.074 174.600 -0.146 0.000 0.975 225 S CA 0.811 58.950 58.200 -0.102 0.000 0.949 225 S CB -1.045 62.111 63.200 -0.074 0.000 0.761 225 S HN 0.284 nan 8.310 nan 0.000 0.536 226 E N -0.490 119.585 120.200 -0.208 0.000 2.447 226 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 226 E C -0.566 175.774 176.600 -0.434 0.000 1.028 226 E CA 0.017 56.211 56.400 -0.342 0.000 0.876 226 E CB 0.125 29.539 29.700 -0.478 0.000 0.885 226 E HN 0.649 nan 8.360 nan 0.000 0.500 227 Y N 1.002 121.120 120.300 -0.304 0.000 2.354 227 Y HA 0.223 4.773 4.550 -0.000 0.000 0.322 227 Y C -2.006 173.663 175.900 -0.385 0.000 1.253 227 Y CA -2.900 54.989 58.100 -0.352 0.000 1.272 227 Y CB 0.116 38.325 38.460 -0.418 0.000 1.255 227 Y HN -0.115 nan 8.280 nan 0.000 0.500 228 P HA 0.093 nan 4.420 nan 0.000 0.269 228 P C -0.332 176.583 177.300 -0.642 0.000 1.209 228 P CA 0.085 62.796 63.100 -0.649 0.000 0.776 228 P CB 0.684 31.676 31.700 -1.181 0.000 0.876 229 N N 1.136 119.579 118.700 -0.427 0.000 2.205 229 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 229 N C 1.169 176.632 175.510 -0.079 0.000 1.015 229 N CA 1.077 54.017 53.050 -0.183 0.000 0.862 229 N CB -0.252 38.207 38.487 -0.047 0.000 0.986 229 N HN 0.666 nan 8.380 nan 0.000 0.429 230 W N 0.074 121.395 121.300 0.035 0.000 3.003 230 W HA 0.248 4.907 4.660 -0.000 0.000 0.257 230 W C 0.009 176.567 176.519 0.067 0.000 1.308 230 W CA -0.436 56.938 57.345 0.048 0.000 1.529 230 W CB -0.430 29.055 29.460 0.042 0.000 1.115 230 W HN -0.105 nan 8.180 nan 0.000 0.659 231 D N 2.289 122.544 120.400 -0.242 0.000 2.345 231 D HA -0.085 4.555 4.640 -0.000 0.000 0.247 231 D C 1.582 177.831 176.300 -0.085 0.000 1.108 231 D CA -0.317 53.576 54.000 -0.178 0.000 0.894 231 D CB 0.737 41.220 40.800 -0.528 0.000 1.203 231 D HN 0.255 nan 8.370 nan 0.000 0.430 232 W N 4.830 126.112 121.300 -0.029 0.000 2.468 232 W HA -0.061 4.599 4.660 -0.000 0.000 0.262 232 W C 0.945 177.376 176.519 -0.145 0.000 1.241 232 W CA -0.091 57.224 57.345 -0.050 0.000 1.232 232 W CB -0.581 28.867 29.460 -0.019 0.000 1.124 232 W HN 0.367 nan 8.180 nan 0.000 0.597 233 R N 0.770 120.702 120.500 -0.947 0.000 2.200 233 R HA -0.071 4.269 4.340 -0.000 0.000 0.208 233 R C 2.067 177.972 176.300 -0.657 0.000 1.033 233 R CA 0.760 56.142 56.100 -1.195 0.000 1.000 233 R CB -0.657 28.379 30.300 -2.106 0.000 0.906 233 R HN 0.205 nan 8.270 nan 0.000 0.462 234 N N 1.317 119.770 118.700 -0.412 0.000 2.289 234 N HA -0.128 4.611 4.740 -0.000 0.000 0.184 234 N C 0.832 176.263 175.510 -0.132 0.000 1.016 234 N CA 1.746 54.675 53.050 -0.201 0.000 0.872 234 N CB 0.235 38.621 38.487 -0.168 0.000 0.973 234 N HN 0.241 nan 8.380 nan 0.000 0.433 235 T N -3.166 111.328 114.554 -0.100 0.000 3.084 235 T HA 0.559 4.909 4.350 -0.000 0.000 0.270 235 T C 0.468 175.180 174.700 0.021 0.000 1.008 235 T CA -0.417 61.673 62.100 -0.016 0.000 0.900 235 T CB 0.514 69.401 68.868 0.032 0.000 1.084 235 T HN 0.244 nan 8.240 nan 0.000 0.538 236 A N 2.009 124.817 122.820 -0.021 0.000 2.246 236 A HA 0.770 5.089 4.320 -0.000 0.000 0.291 236 A C 0.712 178.330 177.584 0.055 0.000 1.103 236 A CA -0.448 51.634 52.037 0.074 0.000 0.844 236 A CB 0.494 19.540 19.000 0.075 0.000 1.136 236 A HN 0.637 nan 8.150 nan 0.000 0.500 237 S N -1.487 114.304 115.700 0.153 0.000 2.632 237 S HA 0.230 4.700 4.470 -0.000 0.000 0.267 237 S C 0.329 175.081 174.600 0.253 0.000 1.276 237 S CA -0.284 58.047 58.200 0.219 0.000 0.998 237 S CB 0.164 63.507 63.200 0.239 0.000 0.953 237 S HN 0.675 nan 8.310 nan 0.000 0.547 238 W N 0.770 122.164 121.300 0.157 0.000 2.374 238 W HA -0.040 4.620 4.660 -0.000 0.000 0.288 238 W C 2.749 179.404 176.519 0.227 0.000 1.218 238 W CA 1.032 58.491 57.345 0.190 0.000 1.245 238 W CB -0.537 29.056 29.460 0.223 0.000 1.126 238 W HN 0.768 nan 8.180 nan 0.000 0.545 239 Q N -0.115 119.977 119.800 0.486 0.000 2.050 239 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 239 Q C 2.099 178.397 176.000 0.496 0.000 0.980 239 Q CA 1.765 57.853 55.803 0.476 0.000 0.840 239 Q CB -0.492 28.533 28.738 0.478 0.000 0.898 239 Q HN 0.476 nan 8.270 nan 0.000 0.424 240 Q N 0.115 120.205 119.800 0.483 0.000 2.119 240 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 240 Q C 2.077 178.285 176.000 0.348 0.000 0.972 240 Q CA 0.914 57.020 55.803 0.505 0.000 0.847 240 Q CB -0.037 29.043 28.738 0.571 0.000 0.903 240 Q HN 0.388 nan 8.270 nan 0.000 0.433 241 I N 1.229 121.911 120.570 0.186 0.000 2.113 241 I HA -0.284 3.886 4.170 -0.000 0.000 0.238 241 I C 2.470 178.679 176.117 0.153 0.000 1.070 241 I CA 1.271 62.576 61.300 0.008 0.000 1.332 241 I CB -0.507 37.403 38.000 -0.150 0.000 1.044 241 I HN 0.284 nan 8.210 nan 0.000 0.402 242 I N -0.451 120.257 120.570 0.230 0.000 2.286 242 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 242 I C 2.521 178.782 176.117 0.241 0.000 1.115 242 I CA 1.588 63.049 61.300 0.269 0.000 1.392 242 I CB -0.486 37.710 38.000 0.328 0.000 1.065 242 I HN 0.091 nan 8.210 nan 0.000 0.418 243 K N 1.858 122.338 120.400 0.133 0.000 2.057 243 K HA -0.258 4.061 4.320 -0.000 0.000 0.207 243 K C 1.711 178.263 176.600 -0.080 0.000 1.049 243 K CA 2.275 58.495 56.287 -0.112 0.000 0.931 243 K CB -0.593 31.575 32.500 -0.554 0.000 0.714 243 K HN 0.570 nan 8.250 nan 0.000 0.440 244 D N -1.117 119.321 120.400 0.064 0.000 2.097 244 D HA -0.196 4.443 4.640 -0.000 0.000 0.195 244 D C 1.731 178.088 176.300 0.096 0.000 0.989 244 D CA 1.495 55.566 54.000 0.118 0.000 0.827 244 D CB -0.303 40.706 40.800 0.349 0.000 0.966 244 D HN 0.416 nan 8.370 nan 0.000 0.456 245 W N 0.792 122.099 121.300 0.011 0.000 2.335 245 W HA -0.204 4.456 4.660 -0.000 0.000 0.311 245 W C 2.684 179.182 176.519 -0.036 0.000 1.213 245 W CA 2.247 59.588 57.345 -0.007 0.000 1.274 245 W CB -0.807 28.656 29.460 0.006 0.000 1.148 245 W HN 0.002 nan 8.180 nan 0.000 0.498 246 S N -0.057 115.722 115.700 0.132 0.000 2.399 246 S HA -0.202 4.267 4.470 -0.000 0.000 0.231 246 S C 1.518 175.971 174.600 -0.247 0.000 1.022 246 S CA 1.913 60.081 58.200 -0.053 0.000 0.983 246 S CB -0.625 62.644 63.200 0.114 0.000 0.803 246 S HN 0.253 nan 8.310 nan 0.000 0.480 247 D N 0.954 121.227 120.400 -0.212 0.000 2.178 247 D HA -0.020 4.620 4.640 -0.000 0.000 0.201 247 D C 2.293 178.447 176.300 -0.242 0.000 0.980 247 D CA 0.915 54.789 54.000 -0.210 0.000 0.842 247 D CB -0.162 40.535 40.800 -0.171 0.000 0.948 247 D HN 0.499 nan 8.370 nan 0.000 0.472 248 R N 0.279 120.589 120.500 -0.316 0.000 2.090 248 R HA 0.209 4.549 4.340 -0.000 0.000 0.219 248 R C 2.101 178.127 176.300 -0.457 0.000 1.100 248 R CA 0.890 56.787 56.100 -0.339 0.000 0.991 248 R CB -0.105 30.008 30.300 -0.311 0.000 0.893 248 R HN 0.046 nan 8.270 nan 0.000 0.443 249 A N 1.159 123.518 122.820 -0.769 0.000 2.119 249 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 249 A C 0.442 177.744 177.584 -0.470 0.000 1.152 249 A CA 0.374 51.944 52.037 -0.779 0.000 0.708 249 A CB 0.132 18.171 19.000 -1.601 0.000 0.805 249 A HN 0.134 nan 8.150 nan 0.000 0.460 250 K N -1.726 118.438 120.400 -0.393 0.000 3.117 250 K HA -0.165 4.155 4.320 -0.000 0.000 0.269 250 K C -0.764 175.722 176.600 -0.190 0.000 1.098 250 K CA 0.861 57.003 56.287 -0.241 0.000 0.785 250 K CB -2.925 29.473 32.500 -0.171 0.000 1.242 250 K HN 0.530 nan 8.250 nan 0.000 0.491 251 c N -0.325 118.156 118.600 -0.198 0.000 2.626 251 c HA 0.427 4.997 4.570 -0.000 0.000 0.310 251 c C -2.042 172.055 174.090 0.011 0.000 1.191 251 c CA -1.632 54.645 56.329 -0.088 0.000 1.517 251 c CB 1.887 44.431 42.510 0.056 0.000 2.102 251 c HN 0.141 nan 8.230 nan 0.000 0.479 252 P HA 0.132 nan 4.420 nan 0.000 0.269 252 P C -0.900 176.456 177.300 0.093 0.000 1.211 252 P CA 0.176 63.275 63.100 -0.001 0.000 0.781 252 P CB 0.466 32.108 31.700 -0.098 0.000 0.877 253 V N 2.915 122.894 119.914 0.109 0.000 2.789 253 V HA 0.438 4.558 4.120 -0.000 0.000 0.311 253 V C -0.996 175.152 176.094 0.089 0.000 1.073 253 V CA -0.944 61.420 62.300 0.107 0.000 0.921 253 V CB 1.031 33.027 31.823 0.288 0.000 1.009 253 V HN 0.219 nan 8.190 nan 0.000 0.426 254 F N 3.507 123.567 119.950 0.182 0.000 2.578 254 F HA 0.183 4.710 4.527 -0.000 0.000 0.376 254 F C 1.062 177.075 175.800 0.353 0.000 1.085 254 F CA 0.252 58.397 58.000 0.242 0.000 1.260 254 F CB 0.266 39.366 39.000 0.167 0.000 1.095 254 F HN 0.519 nan 8.300 nan 0.000 0.573 255 D N 3.990 124.698 120.400 0.513 0.000 2.498 255 D HA 0.004 4.644 4.640 -0.000 0.000 0.229 255 D C 0.705 177.142 176.300 0.228 0.000 1.188 255 D CA 0.335 54.538 54.000 0.337 0.000 1.028 255 D CB -0.471 40.456 40.800 0.211 0.000 1.087 255 D HN 0.367 nan 8.370 nan 0.000 0.510 256 F N 1.163 121.297 119.950 0.307 0.000 2.710 256 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 256 F C 2.269 178.056 175.800 -0.021 0.000 1.137 256 F CA 0.296 58.412 58.000 0.193 0.000 1.444 256 F CB 0.228 39.440 39.000 0.353 0.000 1.111 256 F HN 0.418 nan 8.300 nan 0.000 0.580 257 A N -0.146 122.815 122.820 0.235 0.000 1.872 257 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 257 A C 2.048 179.574 177.584 -0.097 0.000 1.187 257 A CA 1.342 53.449 52.037 0.116 0.000 0.614 257 A CB -0.925 18.254 19.000 0.298 0.000 0.826 257 A HN 0.312 nan 8.150 nan 0.000 0.442 258 L N -0.248 120.908 121.223 -0.111 0.000 2.056 258 L HA -0.094 4.245 4.340 -0.000 0.000 0.207 258 L C 2.250 178.795 176.870 -0.542 0.000 1.078 258 L CA 2.656 57.341 54.840 -0.258 0.000 0.749 258 L CB -0.543 41.405 42.059 -0.185 0.000 0.901 258 L HN 0.324 nan 8.230 nan 0.000 0.433 259 K N 0.070 120.057 120.400 -0.689 0.000 2.032 259 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 259 K C 2.197 178.202 176.600 -0.992 0.000 1.048 259 K CA 1.849 57.545 56.287 -0.985 0.000 0.927 259 K CB -0.567 31.225 32.500 -1.181 0.000 0.712 259 K HN 0.438 nan 8.250 nan 0.000 0.441 260 E N 0.298 120.008 120.200 -0.816 0.000 2.110 260 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 260 E C 1.771 178.092 176.600 -0.465 0.000 0.988 260 E CA 0.955 56.924 56.400 -0.717 0.000 0.804 260 E CB 0.056 29.272 29.700 -0.807 0.000 0.745 260 E HN 0.158 nan 8.360 nan 0.000 0.458 261 R N -0.133 120.139 120.500 -0.379 0.000 2.092 261 R HA 0.022 4.362 4.340 -0.000 0.000 0.231 261 R C 2.437 178.624 176.300 -0.188 0.000 1.119 261 R CA 0.847 56.837 56.100 -0.182 0.000 0.970 261 R CB -0.598 29.658 30.300 -0.074 0.000 0.864 261 R HN 0.343 nan 8.270 nan 0.000 0.440 262 M N 0.509 119.805 119.600 -0.506 0.000 2.159 262 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 262 M C 1.930 178.034 176.300 -0.327 0.000 1.063 262 M CA 1.552 56.494 55.300 -0.598 0.000 1.110 262 M CB -0.076 31.941 32.600 -0.973 0.000 1.374 262 M HN -0.008 nan 8.290 nan 0.000 0.411 263 Q N -0.393 119.126 119.800 -0.468 0.000 2.163 263 Q HA 0.017 4.356 4.340 -0.000 0.000 0.198 263 Q C 1.019 176.944 176.000 -0.124 0.000 0.954 263 Q CA 1.315 56.882 55.803 -0.393 0.000 0.851 263 Q CB -0.277 27.966 28.738 -0.826 0.000 0.928 263 Q HN 0.658 nan 8.270 nan 0.000 0.459 264 N N -0.483 118.168 118.700 -0.081 0.000 2.407 264 N HA 0.129 4.869 4.740 -0.000 0.000 0.182 264 N C 0.735 176.263 175.510 0.031 0.000 1.079 264 N CA 0.303 53.369 53.050 0.028 0.000 0.882 264 N CB 0.797 39.334 38.487 0.084 0.000 1.106 264 N HN 0.066 nan 8.380 nan 0.000 0.461 265 G N 0.215 109.035 108.800 0.032 0.000 2.583 265 G HA2 0.441 4.401 3.960 -0.000 0.000 0.280 265 G HA3 0.441 4.401 3.960 -0.000 0.000 0.280 265 G C -0.224 174.707 174.900 0.053 0.000 1.376 265 G CA -0.408 44.723 45.100 0.053 0.000 1.043 265 G HN 0.170 nan 8.290 nan 0.000 0.538 266 S N -1.541 114.157 115.700 -0.003 0.000 2.713 266 S HA 0.327 4.797 4.470 -0.000 0.000 0.283 266 S C 1.474 175.892 174.600 -0.304 0.000 1.161 266 S CA -0.524 57.614 58.200 -0.103 0.000 0.999 266 S CB 1.532 64.664 63.200 -0.114 0.000 1.039 266 S HN 0.562 nan 8.310 nan 0.000 0.548 267 I N 0.674 120.892 120.570 -0.588 0.000 2.335 267 I HA -0.175 3.994 4.170 -0.000 0.000 0.251 267 I C 2.417 177.940 176.117 -0.991 0.000 1.129 267 I CA 1.705 62.159 61.300 -1.410 0.000 1.402 267 I CB -0.637 36.665 38.000 -1.163 0.000 1.069 267 I HN 0.863 nan 8.210 nan 0.000 0.424 268 A N -0.098 122.418 122.820 -0.508 0.000 1.969 268 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 268 A C 1.787 179.168 177.584 -0.339 0.000 1.169 268 A CA 1.816 53.642 52.037 -0.352 0.000 0.635 268 A CB -0.537 18.336 19.000 -0.212 0.000 0.810 268 A HN 0.487 nan 8.150 nan 0.000 0.445 269 D N -1.280 118.982 120.400 -0.229 0.000 2.363 269 D HA -0.096 4.544 4.640 -0.000 0.000 0.226 269 D C 0.974 177.240 176.300 -0.058 0.000 1.020 269 D CA 0.267 54.216 54.000 -0.085 0.000 0.892 269 D CB -0.259 40.593 40.800 0.087 0.000 0.900 269 D HN 0.665 nan 8.370 nan 0.000 0.531 270 W N 2.131 123.201 121.300 -0.384 0.000 2.421 270 W HA -0.101 4.559 4.660 -0.000 0.000 0.270 270 W C 2.036 178.274 176.519 -0.468 0.000 1.233 270 W CA 0.339 57.430 57.345 -0.424 0.000 1.226 270 W CB -0.535 28.580 29.460 -0.576 0.000 1.121 270 W HN 0.208 nan 8.180 nan 0.000 0.579 271 K N -0.550 119.522 120.400 -0.548 0.000 2.515 271 K HA -0.139 4.181 4.320 -0.000 0.000 0.196 271 K C 0.717 176.934 176.600 -0.638 0.000 1.038 271 K CA 1.556 57.242 56.287 -1.001 0.000 0.967 271 K CB -0.818 30.476 32.500 -2.011 0.000 0.780 271 K HN 0.216 nan 8.250 nan 0.000 0.483 272 H N 0.241 119.231 119.070 -0.132 0.000 2.517 272 H HA 0.219 4.775 4.556 -0.000 0.000 0.282 272 H C 0.914 176.270 175.328 0.046 0.000 1.023 272 H CA -0.354 55.675 56.048 -0.032 0.000 1.169 272 H CB 0.628 30.376 29.762 -0.022 0.000 1.454 272 H HN 0.368 nan 8.280 nan 0.000 0.556 273 G N 0.111 108.985 108.800 0.124 0.000 2.621 273 G HA2 0.101 4.061 3.960 -0.000 0.000 0.271 273 G HA3 0.101 4.061 3.960 -0.000 0.000 0.271 273 G C 0.911 175.945 174.900 0.224 0.000 1.236 273 G CA -0.501 44.684 45.100 0.143 0.000 0.958 273 G HN 0.277 nan 8.290 nan 0.000 0.512 274 L N 0.520 121.894 121.223 0.252 0.000 2.083 274 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 274 L C 2.518 179.566 176.870 0.297 0.000 1.083 274 L CA 2.251 57.282 54.840 0.317 0.000 0.752 274 L CB -0.536 41.719 42.059 0.327 0.000 0.899 274 L HN 0.712 nan 8.230 nan 0.000 0.433 275 N N -0.563 118.289 118.700 0.253 0.000 2.520 275 N HA -0.063 4.677 4.740 -0.000 0.000 0.185 275 N C 1.504 177.179 175.510 0.274 0.000 1.068 275 N CA 1.217 54.407 53.050 0.233 0.000 0.911 275 N CB -0.665 37.922 38.487 0.167 0.000 0.961 275 N HN 0.397 nan 8.380 nan 0.000 0.446 276 G N -0.403 108.597 108.800 0.333 0.000 3.088 276 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.217 276 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.217 276 G C 0.214 175.322 174.900 0.347 0.000 1.159 276 G CA -0.570 44.802 45.100 0.453 0.000 0.760 276 G HN 0.411 nan 8.290 nan 0.000 0.550 277 N N 1.519 120.380 118.700 0.268 0.000 2.411 277 N HA 0.126 4.866 4.740 -0.000 0.000 0.261 277 N C -0.845 174.761 175.510 0.160 0.000 1.248 277 N CA -1.051 52.117 53.050 0.196 0.000 0.885 277 N CB 1.614 40.252 38.487 0.253 0.000 1.062 277 N HN -0.098 nan 8.380 nan 0.000 0.471 278 P HA -0.135 nan 4.420 nan 0.000 0.221 278 P C -0.365 176.974 177.300 0.065 0.000 1.145 278 P CA 1.086 64.230 63.100 0.073 0.000 0.795 278 P CB 0.115 31.838 31.700 0.038 0.000 0.775 279 D N 0.295 120.728 120.400 0.055 0.000 2.249 279 D HA 0.097 4.737 4.640 -0.000 0.000 0.246 279 D C -1.451 174.980 176.300 0.218 0.000 1.114 279 D CA -2.513 51.554 54.000 0.112 0.000 0.854 279 D CB 1.544 42.383 40.800 0.066 0.000 1.132 279 D HN -0.023 nan 8.370 nan 0.000 0.461 280 P HA -0.075 nan 4.420 nan 0.000 0.221 280 P C 1.053 178.482 177.300 0.216 0.000 1.150 280 P CA 0.493 63.705 63.100 0.186 0.000 0.800 280 P CB 0.475 32.260 31.700 0.141 0.000 0.787 281 R N -1.550 119.094 120.500 0.240 0.000 2.189 281 R HA -0.061 4.279 4.340 -0.000 0.000 0.218 281 R C 1.956 178.369 176.300 0.188 0.000 1.074 281 R CA 0.904 57.113 56.100 0.182 0.000 0.991 281 R CB -0.955 29.439 30.300 0.157 0.000 0.883 281 R HN 0.358 nan 8.270 nan 0.000 0.457 282 W N 1.336 122.687 121.300 0.086 0.000 2.539 282 W HA 0.028 4.688 4.660 -0.000 0.000 0.299 282 W C 2.474 179.072 176.519 0.131 0.000 1.165 282 W CA 0.764 58.174 57.345 0.109 0.000 1.400 282 W CB -0.385 29.144 29.460 0.114 0.000 1.123 282 W HN 0.089 nan 8.180 nan 0.000 0.533 283 R N 1.384 122.109 120.500 0.376 0.000 2.115 283 R HA -0.118 4.222 4.340 -0.000 0.000 0.226 283 R C 1.671 178.112 176.300 0.235 0.000 1.100 283 R CA 1.807 58.077 56.100 0.282 0.000 0.980 283 R CB -1.364 29.084 30.300 0.247 0.000 0.875 283 R HN 0.358 nan 8.270 nan 0.000 0.445 284 E N 2.045 122.384 120.200 0.231 0.000 2.265 284 E HA -0.131 4.218 4.350 -0.000 0.000 0.196 284 E C 1.716 178.486 176.600 0.283 0.000 0.996 284 E CA 1.506 58.068 56.400 0.269 0.000 0.832 284 E CB -0.034 29.860 29.700 0.323 0.000 0.756 284 E HN 0.441 nan 8.360 nan 0.000 0.491 285 V N -1.925 118.102 119.914 0.189 0.000 3.649 285 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 285 V C 0.974 177.169 176.094 0.168 0.000 1.281 285 V CA -0.059 62.329 62.300 0.147 0.000 1.143 285 V CB -0.215 31.637 31.823 0.049 0.000 0.892 285 V HN 0.316 nan 8.190 nan 0.000 0.441 286 A N 0.481 123.418 122.820 0.196 0.000 2.388 286 A HA 0.640 4.960 4.320 -0.000 0.000 0.257 286 A C -0.134 177.567 177.584 0.196 0.000 1.095 286 A CA -0.092 52.068 52.037 0.203 0.000 0.791 286 A CB 0.777 19.905 19.000 0.213 0.000 1.029 286 A HN 0.628 nan 8.150 nan 0.000 0.489 287 V N 3.598 123.631 119.914 0.197 0.000 2.305 287 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 287 V C 0.544 176.868 176.094 0.383 0.000 1.020 287 V CA -0.117 62.306 62.300 0.205 0.000 0.811 287 V CB 0.913 32.720 31.823 -0.027 0.000 1.031 287 V HN 1.080 nan 8.190 nan 0.000 0.439 288 T N 2.461 117.200 114.554 0.308 0.000 2.910 288 T HA 0.774 5.123 4.350 -0.000 0.000 0.293 288 T C -0.581 174.328 174.700 0.348 0.000 1.015 288 T CA -0.277 61.964 62.100 0.235 0.000 1.094 288 T CB 1.218 70.119 68.868 0.055 0.000 0.968 288 T HN 0.657 nan 8.240 nan 0.000 0.521 289 F N 0.557 120.479 119.950 -0.046 0.000 2.711 289 F HA 0.688 5.215 4.527 -0.000 0.000 0.313 289 F C 0.281 175.904 175.800 -0.296 0.000 1.141 289 F CA -1.021 56.930 58.000 -0.082 0.000 0.941 289 F CB 0.983 39.964 39.000 -0.032 0.000 1.349 289 F HN 0.421 nan 8.300 nan 0.000 0.464 290 V N -1.316 118.380 119.914 -0.363 0.000 2.908 290 V HA 0.458 4.578 4.120 -0.000 0.000 0.240 290 V C -0.498 175.364 176.094 -0.387 0.000 1.117 290 V CA 1.231 63.167 62.300 -0.607 0.000 1.133 290 V CB 0.431 31.746 31.823 -0.848 0.000 0.857 290 V HN 0.800 nan 8.190 nan 0.000 0.478 291 D N -0.031 120.348 120.400 -0.035 0.000 2.599 291 D HA 0.379 5.019 4.640 -0.000 0.000 0.252 291 D C -1.087 175.116 176.300 -0.161 0.000 1.232 291 D CA -0.088 53.878 54.000 -0.056 0.000 0.819 291 D CB 2.141 42.904 40.800 -0.063 0.000 1.401 291 D HN 0.701 nan 8.370 nan 0.000 0.429 292 N N -1.202 117.279 118.700 -0.365 0.000 3.167 292 N HA 0.158 4.898 4.740 -0.000 0.000 0.323 292 N C 1.118 176.301 175.510 -0.544 0.000 1.478 292 N CA -0.497 52.272 53.050 -0.468 0.000 0.753 292 N CB 1.244 39.535 38.487 -0.327 0.000 1.721 292 N HN 0.402 nan 8.380 nan 0.000 0.618 293 H N -0.539 118.419 119.070 -0.187 0.000 2.489 293 H HA 0.009 4.565 4.556 -0.000 0.000 0.293 293 H C 0.196 175.499 175.328 -0.041 0.000 1.066 293 H CA 1.531 57.640 56.048 0.101 0.000 1.305 293 H CB -0.477 29.466 29.762 0.302 0.000 1.386 293 H HN 0.576 nan 8.280 nan 0.000 0.551 294 N N 0.294 118.624 118.700 -0.617 0.000 2.420 294 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 294 N C 2.141 177.476 175.510 -0.291 0.000 1.033 294 N CA 1.221 53.974 53.050 -0.495 0.000 0.879 294 N CB 0.048 38.413 38.487 -0.202 0.000 1.071 294 N HN 0.439 nan 8.380 nan 0.000 0.437 295 T N -1.332 113.136 114.554 -0.143 0.000 2.857 295 T HA 0.089 4.439 4.350 -0.000 0.000 0.266 295 T C 1.215 175.870 174.700 -0.074 0.000 1.048 295 T CA 0.739 62.848 62.100 0.016 0.000 1.139 295 T CB -0.573 68.322 68.868 0.044 0.000 0.874 295 T HN 0.140 nan 8.240 nan 0.000 0.455 296 G N -0.645 108.054 108.800 -0.168 0.000 2.532 296 G HA2 0.552 4.512 3.960 -0.000 0.000 0.291 296 G HA3 0.552 4.512 3.960 -0.000 0.000 0.291 296 G C -1.015 173.883 174.900 -0.004 0.000 1.349 296 G CA -1.051 44.008 45.100 -0.069 0.000 1.038 296 G HN 0.354 nan 8.290 nan 0.000 0.518 297 Y N -0.932 119.537 120.300 0.282 0.000 2.340 297 Y HA 0.532 5.081 4.550 -0.000 0.000 0.327 297 Y C 0.923 177.177 175.900 0.590 0.000 1.321 297 Y CA 0.235 58.570 58.100 0.392 0.000 1.433 297 Y CB 1.651 40.253 38.460 0.237 0.000 1.373 297 Y HN 0.370 nan 8.280 nan 0.000 0.538 298 S N 0.910 117.020 115.700 0.683 0.000 2.541 298 S HA 0.419 4.889 4.470 -0.000 0.000 0.271 298 S C -2.877 171.918 174.600 0.326 0.000 1.133 298 S CA -1.353 57.113 58.200 0.442 0.000 0.876 298 S CB 2.052 65.521 63.200 0.448 0.000 1.105 298 S HN 0.241 nan 8.310 nan 0.000 0.470 299 P HA 0.444 nan 4.420 nan 0.000 0.270 299 P C 0.703 178.070 177.300 0.112 0.000 1.223 299 P CA 0.818 63.976 63.100 0.097 0.000 0.785 299 P CB 0.188 31.849 31.700 -0.066 0.000 0.923 300 G N 0.462 109.353 108.800 0.151 0.000 2.568 300 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.222 300 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.222 300 G C -0.556 174.446 174.900 0.170 0.000 1.321 300 G CA -0.183 45.005 45.100 0.147 0.000 0.893 300 G HN 0.801 nan 8.290 nan 0.000 0.569 301 Q N 0.803 120.696 119.800 0.154 0.000 2.269 301 Q HA 0.253 4.593 4.340 -0.000 0.000 0.300 301 Q C 1.032 177.159 176.000 0.212 0.000 1.070 301 Q CA 1.369 57.263 55.803 0.152 0.000 0.957 301 Q CB -0.698 28.104 28.738 0.107 0.000 1.131 301 Q HN 0.999 nan 8.270 nan 0.000 0.377 302 N N 2.673 121.497 118.700 0.205 0.000 2.778 302 N HA -0.273 4.467 4.740 -0.000 0.000 0.249 302 N C 0.551 176.297 175.510 0.394 0.000 1.069 302 N CA 0.269 53.477 53.050 0.262 0.000 0.831 302 N CB -1.435 37.193 38.487 0.235 0.000 1.142 302 N HN 1.055 nan 8.380 nan 0.000 0.573 303 G N -0.727 108.289 108.800 0.361 0.000 2.179 303 G HA2 0.045 4.004 3.960 -0.000 0.000 0.257 303 G HA3 0.045 4.004 3.960 -0.000 0.000 0.257 303 G C 0.971 176.204 174.900 0.555 0.000 1.010 303 G CA 0.849 46.247 45.100 0.496 0.000 0.736 303 G HN 1.543 nan 8.290 nan 0.000 0.513 304 G N -1.046 108.000 108.800 0.410 0.000 2.528 304 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.262 304 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.262 304 G C 0.767 175.666 174.900 -0.003 0.000 1.200 304 G CA 1.067 46.388 45.100 0.368 0.000 0.951 304 G HN 0.967 nan 8.290 nan 0.000 0.566 305 Q N 0.261 119.865 119.800 -0.327 0.000 2.165 305 Q HA 0.098 4.438 4.340 -0.000 0.000 0.197 305 Q C 1.148 176.481 176.000 -1.111 0.000 0.952 305 Q CA 1.128 56.441 55.803 -0.818 0.000 0.848 305 Q CB 0.026 28.079 28.738 -1.142 0.000 0.931 305 Q HN 1.251 nan 8.270 nan 0.000 0.470 306 H N -1.048 117.709 119.070 -0.521 0.000 2.415 306 H HA -0.171 4.385 4.556 -0.000 0.000 0.323 306 H C 0.087 175.284 175.328 -0.218 0.000 1.035 306 H CA 0.760 56.482 56.048 -0.544 0.000 1.098 306 H CB -2.024 27.042 29.762 -1.160 0.000 1.575 306 H HN 0.322 nan 8.280 nan 0.000 0.387 307 H N -1.370 117.675 119.070 -0.043 0.000 2.470 307 H HA 0.019 4.575 4.556 -0.000 0.000 0.289 307 H C 0.399 175.914 175.328 0.313 0.000 1.033 307 H CA 1.452 57.560 56.048 0.099 0.000 1.331 307 H CB 0.215 30.079 29.762 0.169 0.000 1.414 307 H HN 0.740 nan 8.280 nan 0.000 0.545 308 W N 0.762 122.169 121.300 0.178 0.000 1.086 308 W HA 0.552 5.212 4.660 -0.000 0.000 0.321 308 W C -0.938 175.590 176.519 0.015 0.000 0.919 308 W CA -1.559 55.859 57.345 0.121 0.000 1.252 308 W CB -0.321 29.260 29.460 0.201 0.000 1.343 308 W HN -0.027 nan 8.180 nan 0.000 0.461 309 A N 2.301 125.208 122.820 0.144 0.000 2.401 309 A HA 0.532 4.852 4.320 -0.000 0.000 0.259 309 A C -0.589 177.007 177.584 0.019 0.000 1.103 309 A CA -0.392 51.687 52.037 0.071 0.000 0.789 309 A CB 0.641 19.725 19.000 0.139 0.000 1.035 309 A HN 0.521 nan 8.150 nan 0.000 0.491 310 L N 2.733 123.929 121.223 -0.044 0.000 2.367 310 L HA 0.264 4.604 4.340 -0.000 0.000 0.275 310 L C 0.894 177.759 176.870 -0.008 0.000 1.129 310 L CA -0.092 54.687 54.840 -0.102 0.000 0.839 310 L CB 0.801 42.731 42.059 -0.215 0.000 1.133 310 L HN 0.826 nan 8.230 nan 0.000 0.453 311 Q N 2.205 121.998 119.800 -0.013 0.000 2.361 311 Q HA 0.032 4.372 4.340 -0.000 0.000 0.276 311 Q C 0.412 176.401 176.000 -0.018 0.000 1.022 311 Q CA 0.067 55.869 55.803 -0.001 0.000 0.898 311 Q CB 0.450 29.188 28.738 0.000 0.000 1.246 311 Q HN 0.779 nan 8.270 nan 0.000 0.410 312 D N 3.505 123.889 120.400 -0.026 0.000 2.228 312 D HA -0.185 4.455 4.640 -0.000 0.000 0.203 312 D C 1.476 177.775 176.300 -0.001 0.000 0.988 312 D CA 1.574 55.567 54.000 -0.011 0.000 0.864 312 D CB -0.626 40.164 40.800 -0.015 0.000 0.928 312 D HN 0.772 nan 8.370 nan 0.000 0.469 313 G N -0.299 108.495 108.800 -0.009 0.000 2.679 313 G HA2 0.012 3.972 3.960 -0.000 0.000 0.212 313 G HA3 0.012 3.972 3.960 -0.000 0.000 0.212 313 G C 1.495 176.393 174.900 -0.004 0.000 1.137 313 G CA 0.159 45.254 45.100 -0.007 0.000 0.787 313 G HN 0.382 nan 8.290 nan 0.000 0.534 314 L N -0.110 121.112 121.223 -0.001 0.000 2.858 314 L HA 0.380 4.720 4.340 -0.000 0.000 0.251 314 L C 2.085 178.952 176.870 -0.006 0.000 1.149 314 L CA -0.223 54.642 54.840 0.042 0.000 0.955 314 L CB 0.223 42.348 42.059 0.110 0.000 1.289 314 L HN 0.122 nan 8.230 nan 0.000 0.542 315 I N 0.053 120.565 120.570 -0.096 0.000 2.127 315 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 315 I C 2.651 178.704 176.117 -0.107 0.000 1.075 315 I CA 1.531 62.694 61.300 -0.228 0.000 1.334 315 I CB -0.224 37.511 38.000 -0.441 0.000 1.040 315 I HN 0.302 nan 8.210 nan 0.000 0.405 316 R N 0.368 120.811 120.500 -0.095 0.000 2.083 316 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 316 R C 2.373 178.803 176.300 0.216 0.000 1.137 316 R CA 1.628 57.686 56.100 -0.071 0.000 0.951 316 R CB -0.284 29.755 30.300 -0.435 0.000 0.851 316 R HN 0.381 nan 8.270 nan 0.000 0.434 317 Q N -0.053 119.846 119.800 0.164 0.000 2.124 317 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 317 Q C 2.025 178.274 176.000 0.414 0.000 0.977 317 Q CA 1.775 57.738 55.803 0.266 0.000 0.850 317 Q CB -0.269 28.577 28.738 0.180 0.000 0.901 317 Q HN 0.351 nan 8.270 nan 0.000 0.429 318 A N -0.346 122.628 122.820 0.256 0.000 1.877 318 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 318 A C 1.747 179.281 177.584 -0.084 0.000 1.186 318 A CA 1.407 53.402 52.037 -0.070 0.000 0.620 318 A CB -0.924 17.824 19.000 -0.419 0.000 0.822 318 A HN 0.399 nan 8.150 nan 0.000 0.443 319 Y N -0.079 120.263 120.300 0.069 0.000 2.224 319 Y HA -0.064 4.485 4.550 -0.000 0.000 0.289 319 Y C 2.924 178.890 175.900 0.110 0.000 1.146 319 Y CA 0.692 58.842 58.100 0.083 0.000 1.182 319 Y CB -0.646 37.899 38.460 0.142 0.000 0.983 319 Y HN 0.333 nan 8.280 nan 0.000 0.524 320 A N -0.880 122.161 122.820 0.367 0.000 1.933 320 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 320 A C 2.067 179.784 177.584 0.222 0.000 1.175 320 A CA 1.804 53.988 52.037 0.244 0.000 0.628 320 A CB -1.248 17.941 19.000 0.314 0.000 0.814 320 A HN 0.552 nan 8.150 nan 0.000 0.444 321 Y N 1.169 121.578 120.300 0.182 0.000 2.133 321 Y HA -0.146 4.404 4.550 -0.000 0.000 0.287 321 Y C 2.140 178.099 175.900 0.100 0.000 1.134 321 Y CA 1.640 59.847 58.100 0.179 0.000 1.133 321 Y CB -0.427 38.228 38.460 0.325 0.000 0.987 321 Y HN 0.412 nan 8.280 nan 0.000 0.502 322 I N -1.864 118.647 120.570 -0.097 0.000 2.394 322 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 322 I C 1.768 177.827 176.117 -0.097 0.000 1.136 322 I CA 1.548 62.739 61.300 -0.182 0.000 1.425 322 I CB -0.632 37.306 38.000 -0.104 0.000 1.079 322 I HN 0.174 nan 8.210 nan 0.000 0.425 323 L N 1.286 122.500 121.223 -0.015 0.000 2.313 323 L HA -0.039 4.301 4.340 -0.000 0.000 0.214 323 L C 2.476 179.310 176.870 -0.059 0.000 1.119 323 L CA 1.524 56.355 54.840 -0.015 0.000 0.809 323 L CB -0.576 41.481 42.059 -0.003 0.000 0.933 323 L HN 0.514 nan 8.230 nan 0.000 0.449 324 T N -4.717 109.788 114.554 -0.081 0.000 3.069 324 T HA 0.132 4.481 4.350 -0.000 0.000 0.252 324 T C 0.776 175.410 174.700 -0.110 0.000 1.053 324 T CA 0.102 62.160 62.100 -0.070 0.000 0.964 324 T CB 0.052 68.910 68.868 -0.018 0.000 1.005 324 T HN 0.244 nan 8.240 nan 0.000 0.532 325 S N 0.855 116.429 115.700 -0.209 0.000 2.759 325 S HA 0.776 5.246 4.470 -0.000 0.000 0.310 325 S C -3.090 171.442 174.600 -0.113 0.000 1.123 325 S CA -1.751 56.322 58.200 -0.212 0.000 0.959 325 S CB 1.211 64.118 63.200 -0.487 0.000 1.172 325 S HN 0.011 nan 8.310 nan 0.000 0.539 326 P HA 0.457 nan 4.420 nan 0.000 0.271 326 P C 0.757 178.084 177.300 0.045 0.000 1.238 326 P CA 1.153 64.267 63.100 0.025 0.000 0.794 326 P CB -0.396 31.345 31.700 0.068 0.000 0.959 327 G N -0.634 108.223 108.800 0.095 0.000 2.698 327 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.225 327 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.225 327 G C -1.042 173.924 174.900 0.111 0.000 1.345 327 G CA -0.521 44.658 45.100 0.131 0.000 0.871 327 G HN 0.604 nan 8.290 nan 0.000 0.540 328 T N 3.872 118.515 114.554 0.148 0.000 2.772 328 T HA 0.661 5.011 4.350 -0.000 0.000 0.288 328 T C -2.358 172.440 174.700 0.162 0.000 0.994 328 T CA -0.573 61.613 62.100 0.144 0.000 0.951 328 T CB 2.229 71.223 68.868 0.210 0.000 0.933 328 T HN 0.613 nan 8.240 nan 0.000 0.447 329 P HA 0.479 nan 4.420 nan 0.000 0.282 329 P C -1.044 176.412 177.300 0.260 0.000 1.249 329 P CA -0.550 62.661 63.100 0.184 0.000 0.806 329 P CB 1.063 32.844 31.700 0.134 0.000 0.984 330 V N 2.827 122.946 119.914 0.343 0.000 2.588 330 V HA 0.313 4.432 4.120 -0.000 0.000 0.304 330 V C 0.123 176.483 176.094 0.444 0.000 1.042 330 V CA -0.794 61.754 62.300 0.413 0.000 0.877 330 V CB 2.237 34.393 31.823 0.556 0.000 0.996 330 V HN 0.256 nan 8.190 nan 0.000 0.425 331 V N 4.364 124.523 119.914 0.408 0.000 2.435 331 V HA 0.355 4.475 4.120 -0.000 0.000 0.290 331 V C -0.704 175.609 176.094 0.364 0.000 1.030 331 V CA -0.793 61.777 62.300 0.451 0.000 0.881 331 V CB 1.670 33.708 31.823 0.359 0.000 0.983 331 V HN 0.752 nan 8.190 nan 0.000 0.445 332 Y N 4.454 124.966 120.300 0.353 0.000 2.402 332 Y HA 0.059 4.609 4.550 -0.000 0.000 0.333 332 Y C 0.977 176.936 175.900 0.098 0.000 1.076 332 Y CA -0.727 57.506 58.100 0.221 0.000 1.299 332 Y CB 0.513 39.173 38.460 0.334 0.000 1.197 332 Y HN 0.862 nan 8.280 nan 0.000 0.517 333 W N 5.123 126.136 121.300 -0.479 0.000 2.280 333 W HA -0.388 4.272 4.660 -0.000 0.000 0.332 333 W C 0.922 177.179 176.519 -0.437 0.000 1.300 333 W CA 2.772 59.896 57.345 -0.368 0.000 1.274 333 W CB -0.293 28.958 29.460 -0.349 0.000 1.141 333 W HN 0.717 nan 8.180 nan 0.000 0.474 334 D N -1.196 118.733 120.400 -0.786 0.000 2.104 334 D HA -0.213 4.426 4.640 -0.000 0.000 0.194 334 D C 2.083 177.904 176.300 -0.798 0.000 0.994 334 D CA 1.875 55.224 54.000 -1.084 0.000 0.830 334 D CB -0.879 38.811 40.800 -1.851 0.000 0.959 334 D HN 0.264 nan 8.370 nan 0.000 0.452 335 H N -0.843 118.131 119.070 -0.160 0.000 2.353 335 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 335 H C 2.046 177.376 175.328 0.004 0.000 1.090 335 H CA 1.071 57.293 56.048 0.291 0.000 1.327 335 H CB -0.292 29.689 29.762 0.366 0.000 1.383 335 H HN 0.182 nan 8.280 nan 0.000 0.508 336 M N 0.092 119.569 119.600 -0.204 0.000 2.098 336 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 336 M C 1.159 176.970 176.300 -0.815 0.000 1.072 336 M CA 1.741 56.687 55.300 -0.591 0.000 1.133 336 M CB -0.116 31.959 32.600 -0.876 0.000 1.344 336 M HN 0.090 nan 8.290 nan 0.000 0.414 337 Y N -1.180 118.793 120.300 -0.545 0.000 2.430 337 Y HA 0.224 4.773 4.550 -0.000 0.000 0.248 337 Y C 1.522 177.242 175.900 -0.301 0.000 1.108 337 Y CA -0.148 57.646 58.100 -0.510 0.000 1.264 337 Y CB 0.062 37.950 38.460 -0.954 0.000 1.172 337 Y HN 0.248 nan 8.280 nan 0.000 0.520 338 D N -1.734 118.530 120.400 -0.227 0.000 2.615 338 D HA -0.037 4.603 4.640 -0.000 0.000 0.259 338 D C 1.210 177.532 176.300 0.037 0.000 0.999 338 D CA 0.696 54.597 54.000 -0.164 0.000 0.938 338 D CB -0.101 40.407 40.800 -0.486 0.000 1.121 338 D HN 0.245 nan 8.370 nan 0.000 0.487 339 W N 1.130 122.462 121.300 0.054 0.000 3.290 339 W HA 0.369 5.029 4.660 -0.000 0.000 0.287 339 W C 1.113 177.520 176.519 -0.187 0.000 1.288 339 W CA 0.297 57.654 57.345 0.020 0.000 1.725 339 W CB -0.554 29.040 29.460 0.223 0.000 1.103 339 W HN 0.079 nan 8.180 nan 0.000 0.670 340 G N 0.177 108.987 108.800 0.016 0.000 2.160 340 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.244 340 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.244 340 G C 0.238 175.000 174.900 -0.229 0.000 1.022 340 G CA 0.344 45.368 45.100 -0.127 0.000 0.741 340 G HN 0.362 nan 8.290 nan 0.000 0.508 341 Y N 0.153 120.500 120.300 0.078 0.000 2.457 341 Y HA 0.313 4.863 4.550 -0.000 0.000 0.263 341 Y C 2.660 178.570 175.900 0.016 0.000 1.164 341 Y CA 0.629 58.775 58.100 0.077 0.000 1.274 341 Y CB -0.043 38.487 38.460 0.117 0.000 1.097 341 Y HN 0.258 nan 8.280 nan 0.000 0.523 342 G N 0.661 109.477 108.800 0.027 0.000 2.599 342 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 342 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 342 G C 1.378 176.249 174.900 -0.049 0.000 1.193 342 G CA 1.759 46.800 45.100 -0.097 0.000 0.778 342 G HN 0.255 nan 8.290 nan 0.000 0.589 343 D N -0.286 120.118 120.400 0.007 0.000 2.117 343 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 343 D C 2.010 178.337 176.300 0.045 0.000 0.987 343 D CA 0.651 54.660 54.000 0.015 0.000 0.829 343 D CB -0.383 40.431 40.800 0.025 0.000 0.961 343 D HN 0.307 nan 8.370 nan 0.000 0.460 344 F N 1.325 121.251 119.950 -0.040 0.000 2.102 344 F HA -0.114 4.412 4.527 -0.000 0.000 0.298 344 F C 2.154 177.916 175.800 -0.063 0.000 1.105 344 F CA 1.150 59.136 58.000 -0.023 0.000 1.239 344 F CB -0.326 38.700 39.000 0.043 0.000 0.991 344 F HN -0.134 nan 8.300 nan 0.000 0.474 345 I N 0.370 120.861 120.570 -0.132 0.000 2.286 345 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 345 I C 2.448 178.391 176.117 -0.290 0.000 1.115 345 I CA 1.302 62.422 61.300 -0.299 0.000 1.392 345 I CB -0.513 37.309 38.000 -0.296 0.000 1.065 345 I HN 0.108 nan 8.210 nan 0.000 0.418 346 R N 0.678 121.046 120.500 -0.221 0.000 2.081 346 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 346 R C 2.296 178.469 176.300 -0.211 0.000 1.131 346 R CA 1.424 57.395 56.100 -0.215 0.000 0.960 346 R CB -0.512 29.697 30.300 -0.152 0.000 0.856 346 R HN 0.493 nan 8.270 nan 0.000 0.436 347 Q N 0.782 120.457 119.800 -0.207 0.000 2.061 347 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 347 Q C 2.266 178.126 176.000 -0.233 0.000 0.984 347 Q CA 1.448 57.133 55.803 -0.197 0.000 0.846 347 Q CB -0.271 28.356 28.738 -0.184 0.000 0.902 347 Q HN 0.346 nan 8.270 nan 0.000 0.421 348 L N 0.203 121.228 121.223 -0.330 0.000 2.093 348 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 348 L C 2.312 179.061 176.870 -0.202 0.000 1.085 348 L CA 0.814 55.482 54.840 -0.285 0.000 0.755 348 L CB -0.320 41.510 42.059 -0.382 0.000 0.904 348 L HN 0.257 nan 8.230 nan 0.000 0.435 349 I N -0.544 119.893 120.570 -0.223 0.000 2.226 349 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 349 I C 2.575 178.593 176.117 -0.166 0.000 1.100 349 I CA 1.397 62.571 61.300 -0.209 0.000 1.374 349 I CB -0.221 37.590 38.000 -0.315 0.000 1.057 349 I HN 0.354 nan 8.210 nan 0.000 0.413 350 Q N -0.158 119.546 119.800 -0.160 0.000 2.079 350 Q HA -0.149 4.190 4.340 -0.000 0.000 0.200 350 Q C 2.407 178.350 176.000 -0.096 0.000 0.974 350 Q CA 1.325 57.056 55.803 -0.121 0.000 0.840 350 Q CB -0.139 28.534 28.738 -0.108 0.000 0.898 350 Q HN 0.355 nan 8.270 nan 0.000 0.430 351 V N 1.045 120.896 119.914 -0.104 0.000 2.295 351 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 351 V C 2.382 178.440 176.094 -0.060 0.000 1.049 351 V CA 2.005 64.259 62.300 -0.076 0.000 1.024 351 V CB -0.565 31.205 31.823 -0.088 0.000 0.648 351 V HN 0.339 nan 8.190 nan 0.000 0.447 352 R N -0.124 120.332 120.500 -0.073 0.000 2.081 352 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 352 R C 2.509 178.779 176.300 -0.050 0.000 1.131 352 R CA 1.831 57.897 56.100 -0.057 0.000 0.960 352 R CB -0.187 30.074 30.300 -0.064 0.000 0.856 352 R HN 0.397 nan 8.270 nan 0.000 0.436 353 R N -0.298 120.164 120.500 -0.063 0.000 2.075 353 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 353 R C 2.316 178.591 176.300 -0.042 0.000 1.126 353 R CA 1.402 57.468 56.100 -0.055 0.000 0.963 353 R CB -0.246 30.012 30.300 -0.069 0.000 0.858 353 R HN 0.285 nan 8.270 nan 0.000 0.435 354 A N 0.753 123.548 122.820 -0.042 0.000 1.930 354 A HA -0.077 4.242 4.320 -0.000 0.000 0.217 354 A C 2.236 179.809 177.584 -0.019 0.000 1.175 354 A CA 1.641 53.660 52.037 -0.030 0.000 0.627 354 A CB -0.552 18.430 19.000 -0.030 0.000 0.815 354 A HN 0.400 nan 8.150 nan 0.000 0.443 355 A N -1.648 121.163 122.820 -0.015 0.000 2.119 355 A HA 0.372 4.691 4.320 -0.000 0.000 0.217 355 A C 1.843 179.424 177.584 -0.005 0.000 1.153 355 A CA 1.344 53.381 52.037 -0.001 0.000 0.692 355 A CB -0.989 18.018 19.000 0.012 0.000 0.799 355 A HN 1.969 nan 8.150 nan 0.000 0.458 356 G N -0.961 107.831 108.800 -0.014 0.000 2.225 356 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.264 356 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.264 356 G C 0.036 174.930 174.900 -0.010 0.000 1.060 356 G CA 0.114 45.206 45.100 -0.013 0.000 0.833 356 G HN 0.761 nan 8.290 nan 0.000 0.498 357 V N 0.889 120.795 119.914 -0.013 0.000 2.614 357 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 357 V C 0.982 177.067 176.094 -0.015 0.000 1.049 357 V CA 0.324 62.617 62.300 -0.010 0.000 1.038 357 V CB 0.879 32.693 31.823 -0.015 0.000 0.980 357 V HN 0.717 nan 8.190 nan 0.000 0.481 358 R N 3.631 124.127 120.500 -0.007 0.000 2.869 358 R HA 0.764 5.104 4.340 -0.000 0.000 0.263 358 R C 0.996 177.301 176.300 0.010 0.000 1.066 358 R CA -0.375 55.715 56.100 -0.015 0.000 0.960 358 R CB 1.169 31.451 30.300 -0.030 0.000 1.221 358 R HN 0.488 nan 8.270 nan 0.000 0.474 359 A N 0.922 123.745 122.820 0.005 0.000 1.927 359 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 359 A C 1.330 178.988 177.584 0.123 0.000 1.185 359 A CA 2.326 54.407 52.037 0.073 0.000 0.639 359 A CB -0.869 18.191 19.000 0.099 0.000 0.820 359 A HN 0.882 nan 8.150 nan 0.000 0.451 360 D N -0.785 119.687 120.400 0.120 0.000 2.349 360 D HA 0.129 4.769 4.640 -0.000 0.000 0.214 360 D C 0.266 176.622 176.300 0.094 0.000 1.063 360 D CA 0.289 54.373 54.000 0.138 0.000 0.847 360 D CB -0.626 40.282 40.800 0.180 0.000 0.933 360 D HN 0.179 nan 8.370 nan 0.000 0.513 361 S N 0.337 116.074 115.700 0.062 0.000 2.558 361 S HA 0.373 4.843 4.470 -0.000 0.000 0.287 361 S C 0.468 175.094 174.600 0.043 0.000 1.321 361 S CA -0.143 58.082 58.200 0.043 0.000 1.048 361 S CB 0.686 63.899 63.200 0.023 0.000 0.844 361 S HN 0.518 nan 8.310 nan 0.000 0.512 362 A N 2.436 125.275 122.820 0.032 0.000 2.354 362 A HA 0.662 4.981 4.320 -0.000 0.000 0.269 362 A C -0.226 177.346 177.584 -0.020 0.000 1.109 362 A CA -0.404 51.645 52.037 0.020 0.000 0.800 362 A CB 0.048 19.062 19.000 0.024 0.000 1.045 362 A HN 0.814 nan 8.150 nan 0.000 0.489 363 I N 1.200 121.734 120.570 -0.060 0.000 2.569 363 I HA 0.498 4.668 4.170 -0.000 0.000 0.290 363 I C -0.664 175.275 176.117 -0.297 0.000 1.088 363 I CA 0.008 61.187 61.300 -0.202 0.000 1.047 363 I CB 2.087 39.941 38.000 -0.243 0.000 1.237 363 I HN 0.540 nan 8.210 nan 0.000 0.421 364 S N 6.326 121.789 115.700 -0.394 0.000 2.500 364 S HA 0.648 5.118 4.470 -0.000 0.000 0.301 364 S C -1.018 173.198 174.600 -0.639 0.000 1.092 364 S CA -0.378 57.595 58.200 -0.378 0.000 1.030 364 S CB 1.281 64.334 63.200 -0.246 0.000 1.031 364 S HN 0.381 nan 8.310 nan 0.000 0.483 365 F N 2.011 121.797 119.950 -0.273 0.000 2.443 365 F HA 0.400 4.927 4.527 -0.000 0.000 0.335 365 F C 0.801 176.335 175.800 -0.444 0.000 1.104 365 F CA -0.683 57.163 58.000 -0.257 0.000 1.013 365 F CB 1.070 40.000 39.000 -0.116 0.000 1.136 365 F HN 0.492 nan 8.300 nan 0.000 0.470 366 H N 1.756 120.950 119.070 0.208 0.000 2.581 366 H HA 0.166 4.722 4.556 -0.000 0.000 0.308 366 H C 0.522 175.960 175.328 0.183 0.000 1.040 366 H CA -0.252 55.899 56.048 0.171 0.000 1.231 366 H CB 1.842 31.698 29.762 0.157 0.000 1.396 366 H HN 0.639 nan 8.280 nan 0.000 0.467 367 S N 2.771 118.581 115.700 0.184 0.000 2.419 367 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 367 S C 2.186 176.802 174.600 0.027 0.000 1.016 367 S CA 1.236 59.489 58.200 0.089 0.000 0.974 367 S CB -0.053 63.176 63.200 0.048 0.000 0.786 367 S HN 0.870 nan 8.310 nan 0.000 0.492 368 G N -0.922 107.867 108.800 -0.019 0.000 2.848 368 G HA2 0.160 4.120 3.960 -0.000 0.000 0.208 368 G HA3 0.160 4.120 3.960 -0.000 0.000 0.208 368 G C -0.008 174.447 174.900 -0.741 0.000 1.152 368 G CA 0.172 45.059 45.100 -0.355 0.000 0.789 368 G HN 0.408 nan 8.290 nan 0.000 0.531 369 Y N -0.198 120.110 120.300 0.015 0.000 2.659 369 Y HA 0.538 5.088 4.550 -0.000 0.000 0.333 369 Y C 0.722 176.614 175.900 -0.013 0.000 1.064 369 Y CA -1.151 56.949 58.100 -0.001 0.000 1.141 369 Y CB 1.378 39.841 38.460 0.005 0.000 1.316 369 Y HN 0.023 nan 8.280 nan 0.000 0.509 370 S N -0.091 115.686 115.700 0.128 0.000 2.652 370 S HA 0.751 5.221 4.470 -0.000 0.000 0.270 370 S C 0.477 175.091 174.600 0.022 0.000 1.243 370 S CA 0.008 58.229 58.200 0.036 0.000 0.999 370 S CB 0.992 64.197 63.200 0.008 0.000 0.973 370 S HN 1.574 nan 8.310 nan 0.000 0.544 371 G N 0.565 109.332 108.800 -0.056 0.000 2.539 371 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.256 371 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.256 371 G C -0.802 174.018 174.900 -0.135 0.000 1.233 371 G CA -0.025 44.997 45.100 -0.129 0.000 0.936 371 G HN 1.261 nan 8.290 nan 0.000 0.571 372 L N 0.427 121.556 121.223 -0.157 0.000 2.313 372 L HA 0.758 5.097 4.340 -0.000 0.000 0.283 372 L C -0.310 176.593 176.870 0.055 0.000 1.013 372 L CA -0.582 54.201 54.840 -0.097 0.000 0.816 372 L CB 1.248 43.144 42.059 -0.272 0.000 1.236 372 L HN 0.661 nan 8.230 nan 0.000 0.419 373 V N 4.664 124.675 119.914 0.161 0.000 2.487 373 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 373 V C 0.000 176.266 176.094 0.287 0.000 1.028 373 V CA -0.492 61.925 62.300 0.195 0.000 0.860 373 V CB 1.453 33.372 31.823 0.159 0.000 0.991 373 V HN 0.954 nan 8.190 nan 0.000 0.427 374 A N 3.199 126.150 122.820 0.217 0.000 2.498 374 A HA 0.898 5.218 4.320 -0.000 0.000 0.298 374 A C -0.442 177.201 177.584 0.097 0.000 1.075 374 A CA -0.609 51.469 52.037 0.069 0.000 0.714 374 A CB 2.144 21.089 19.000 -0.092 0.000 1.299 374 A HN 0.605 nan 8.150 nan 0.000 0.407 375 T N 1.360 115.948 114.554 0.057 0.000 2.786 375 T HA 0.546 4.896 4.350 -0.000 0.000 0.283 375 T C -0.780 173.920 174.700 0.000 0.000 0.992 375 T CA -0.199 61.955 62.100 0.090 0.000 0.954 375 T CB 0.897 69.900 68.868 0.225 0.000 0.934 375 T HN 0.542 nan 8.240 nan 0.000 0.440 376 V N 3.201 123.131 119.914 0.026 0.000 2.417 376 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 376 V C 0.345 176.462 176.094 0.038 0.000 1.024 376 V CA -0.815 61.488 62.300 0.004 0.000 0.861 376 V CB 1.902 33.723 31.823 -0.002 0.000 0.985 376 V HN 0.886 nan 8.190 nan 0.000 0.436 377 S N 3.962 119.678 115.700 0.026 0.000 3.363 377 S HA 0.397 4.867 4.470 -0.000 0.000 0.267 377 S C 0.751 175.368 174.600 0.028 0.000 1.288 377 S CA -0.293 57.929 58.200 0.037 0.000 0.948 377 S CB 0.294 63.515 63.200 0.034 0.000 1.397 377 S HN 1.010 nan 8.310 nan 0.000 0.493 378 G N 1.509 110.327 108.800 0.030 0.000 2.606 378 G HA2 0.243 4.203 3.960 -0.000 0.000 0.252 378 G HA3 0.243 4.203 3.960 -0.000 0.000 0.252 378 G C 1.028 175.937 174.900 0.015 0.000 1.206 378 G CA -0.328 44.783 45.100 0.018 0.000 0.861 378 G HN 0.628 nan 8.290 nan 0.000 0.561 379 S N -0.700 115.005 115.700 0.009 0.000 2.481 379 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 379 S C 1.607 176.208 174.600 0.002 0.000 0.996 379 S CA 1.038 59.242 58.200 0.007 0.000 0.942 379 S CB 0.057 63.260 63.200 0.005 0.000 0.768 379 S HN 0.540 nan 8.310 nan 0.000 0.520 380 Q N 0.406 120.206 119.800 -0.001 0.000 2.442 380 Q HA 0.381 4.721 4.340 -0.000 0.000 0.228 380 Q C 0.323 176.319 176.000 -0.007 0.000 0.902 380 Q CA 0.681 56.480 55.803 -0.006 0.000 0.933 380 Q CB 0.343 29.075 28.738 -0.010 0.000 1.071 380 Q HN 0.687 nan 8.270 nan 0.000 0.562 381 Q N -0.461 119.341 119.800 0.003 0.000 2.501 381 Q HA 0.484 4.824 4.340 -0.000 0.000 0.288 381 Q C -1.181 174.844 176.000 0.042 0.000 1.051 381 Q CA -0.424 55.385 55.803 0.010 0.000 0.788 381 Q CB 2.222 30.970 28.738 0.017 0.000 1.469 381 Q HN -0.153 nan 8.270 nan 0.000 0.416 382 T N 1.403 115.999 114.554 0.070 0.000 2.829 382 T HA 0.580 4.930 4.350 -0.000 0.000 0.282 382 T C -0.594 174.263 174.700 0.263 0.000 0.990 382 T CA -0.500 61.690 62.100 0.151 0.000 1.028 382 T CB 0.400 69.383 68.868 0.193 0.000 0.951 382 T HN 0.234 nan 8.240 nan 0.000 0.460 383 L N 2.628 123.977 121.223 0.209 0.000 2.346 383 L HA 0.709 5.049 4.340 -0.000 0.000 0.274 383 L C -0.683 176.279 176.870 0.152 0.000 1.007 383 L CA -1.227 53.739 54.840 0.210 0.000 0.818 383 L CB 1.972 44.101 42.059 0.116 0.000 1.284 383 L HN 0.304 nan 8.230 nan 0.000 0.424 384 V N 3.150 123.145 119.914 0.135 0.000 2.417 384 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 384 V C -0.205 176.019 176.094 0.217 0.000 1.024 384 V CA -0.607 61.720 62.300 0.046 0.000 0.861 384 V CB 2.132 33.788 31.823 -0.278 0.000 0.985 384 V HN 0.425 nan 8.190 nan 0.000 0.436 385 V N 3.815 123.828 119.914 0.165 0.000 2.409 385 V HA 0.850 4.969 4.120 -0.000 0.000 0.291 385 V C 0.157 176.352 176.094 0.170 0.000 1.020 385 V CA -0.516 61.882 62.300 0.162 0.000 0.848 385 V CB 1.630 33.556 31.823 0.173 0.000 0.990 385 V HN 0.976 nan 8.190 nan 0.000 0.430 386 A N 6.420 129.333 122.820 0.154 0.000 2.332 386 A HA 0.881 5.201 4.320 -0.000 0.000 0.300 386 A C -1.047 176.569 177.584 0.054 0.000 1.153 386 A CA -0.419 51.691 52.037 0.122 0.000 0.764 386 A CB 0.845 19.967 19.000 0.204 0.000 1.174 386 A HN 0.792 nan 8.150 nan 0.000 0.467 387 L N 2.288 123.520 121.223 0.015 0.000 2.349 387 L HA 0.436 4.775 4.340 -0.000 0.000 0.278 387 L C 0.307 177.123 176.870 -0.090 0.000 0.996 387 L CA -0.722 54.095 54.840 -0.039 0.000 0.825 387 L CB 1.334 43.356 42.059 -0.061 0.000 1.243 387 L HN 0.955 nan 8.230 nan 0.000 0.412 388 N N 1.023 119.681 118.700 -0.070 0.000 2.716 388 N HA -0.205 4.535 4.740 -0.000 0.000 0.250 388 N C -0.254 175.228 175.510 -0.048 0.000 1.033 388 N CA 0.547 53.553 53.050 -0.073 0.000 0.727 388 N CB -0.373 38.038 38.487 -0.128 0.000 0.950 388 N HN 0.566 nan 8.380 nan 0.000 0.541 389 S N -0.167 115.528 115.700 -0.008 0.000 2.607 389 S HA 0.329 4.799 4.470 -0.000 0.000 0.303 389 S C 0.608 175.241 174.600 0.054 0.000 1.086 389 S CA -0.701 57.517 58.200 0.031 0.000 0.995 389 S CB 1.246 64.474 63.200 0.047 0.000 1.084 389 S HN 0.293 nan 8.310 nan 0.000 0.507 390 D N 1.997 122.453 120.400 0.093 0.000 2.340 390 D HA 0.053 4.692 4.640 -0.000 0.000 0.220 390 D C 0.775 177.149 176.300 0.124 0.000 1.039 390 D CA -0.263 53.801 54.000 0.107 0.000 0.866 390 D CB -0.512 40.355 40.800 0.111 0.000 0.913 390 D HN 0.309 nan 8.370 nan 0.000 0.523 391 L N 0.910 122.169 121.223 0.060 0.000 2.573 391 L HA 0.263 4.603 4.340 -0.000 0.000 0.290 391 L C 1.383 178.200 176.870 -0.089 0.000 1.247 391 L CA 0.758 55.473 54.840 -0.208 0.000 0.876 391 L CB 0.761 42.602 42.059 -0.362 0.000 1.123 391 L HN 0.070 nan 8.230 nan 0.000 0.505 392 G N 4.094 112.806 108.800 -0.146 0.000 2.556 392 G HA2 0.063 4.022 3.960 -0.000 0.000 0.209 392 G HA3 0.063 4.022 3.960 -0.000 0.000 0.209 392 G C 0.153 174.956 174.900 -0.162 0.000 1.159 392 G CA 0.400 45.453 45.100 -0.078 0.000 0.828 392 G HN 0.815 nan 8.290 nan 0.000 0.553 393 N N -0.149 118.350 118.700 -0.335 0.000 2.329 393 N HA 0.264 5.004 4.740 -0.000 0.000 0.282 393 N C -2.607 172.423 175.510 -0.800 0.000 1.198 393 N CA -1.503 51.234 53.050 -0.522 0.000 0.790 393 N CB 2.779 41.085 38.487 -0.302 0.000 1.579 393 N HN -0.169 nan 8.380 nan 0.000 0.475 394 P HA -0.087 nan 4.420 nan 0.000 0.218 394 P C 1.364 178.194 177.300 -0.783 0.000 1.148 394 P CA 1.483 63.825 63.100 -1.262 0.000 0.822 394 P CB -0.188 30.495 31.700 -1.695 0.000 0.784 395 G N -0.003 108.503 108.800 -0.490 0.000 2.559 395 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 395 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 395 G C 1.569 176.331 174.900 -0.230 0.000 1.126 395 G CA 0.178 45.132 45.100 -0.243 0.000 0.778 395 G HN 0.329 nan 8.290 nan 0.000 0.543 396 Q N -0.508 119.110 119.800 -0.304 0.000 2.224 396 Q HA -0.012 4.328 4.340 -0.000 0.000 0.203 396 Q C 2.549 178.420 176.000 -0.215 0.000 0.970 396 Q CA 1.523 57.199 55.803 -0.212 0.000 0.865 396 Q CB 0.066 28.659 28.738 -0.242 0.000 0.922 396 Q HN 0.581 nan 8.270 nan 0.000 0.445 397 V N -5.246 114.438 119.914 -0.384 0.000 3.604 397 V HA 0.579 4.699 4.120 -0.000 0.000 0.277 397 V C 0.217 176.063 176.094 -0.414 0.000 1.399 397 V CA 0.148 62.152 62.300 -0.492 0.000 1.034 397 V CB 0.652 31.955 31.823 -0.868 0.000 0.824 397 V HN 0.067 nan 8.190 nan 0.000 0.439 398 A N 0.037 122.679 122.820 -0.296 0.000 2.515 398 A HA 0.781 5.101 4.320 -0.000 0.000 0.298 398 A C -0.444 177.186 177.584 0.077 0.000 1.059 398 A CA 0.042 52.023 52.037 -0.093 0.000 0.698 398 A CB 1.731 20.672 19.000 -0.098 0.000 1.289 398 A HN 0.371 nan 8.150 nan 0.000 0.404 399 S N 0.293 116.064 115.700 0.118 0.000 2.537 399 S HA 0.710 5.180 4.470 -0.000 0.000 0.275 399 S C 0.398 175.076 174.600 0.130 0.000 1.272 399 S CA 0.924 59.187 58.200 0.105 0.000 1.050 399 S CB 0.498 63.727 63.200 0.049 0.000 0.961 399 S HN 2.626 nan 8.310 nan 0.000 0.496 400 G N 1.984 110.810 108.800 0.042 0.000 2.354 400 G HA2 0.102 4.061 3.960 -0.000 0.000 0.582 400 G HA3 0.102 4.061 3.960 -0.000 0.000 0.582 400 G C -0.834 173.934 174.900 -0.219 0.000 1.316 400 G CA -0.372 44.629 45.100 -0.165 0.000 0.995 400 G HN 0.948 nan 8.290 nan 0.000 0.573 401 S N -0.205 115.276 115.700 -0.365 0.000 2.410 401 S HA 0.756 5.226 4.470 -0.000 0.000 0.304 401 S C -0.648 173.689 174.600 -0.439 0.000 1.095 401 S CA -0.500 57.548 58.200 -0.253 0.000 1.089 401 S CB -0.274 62.833 63.200 -0.154 0.000 0.968 401 S HN 0.548 nan 8.310 nan 0.000 0.480 402 F N 2.612 122.548 119.950 -0.024 0.000 2.480 402 F HA 0.530 5.056 4.527 -0.000 0.000 0.329 402 F C 0.731 176.590 175.800 0.098 0.000 1.091 402 F CA -0.544 57.472 58.000 0.027 0.000 0.972 402 F CB 2.140 41.113 39.000 -0.044 0.000 1.150 402 F HN 0.369 nan 8.300 nan 0.000 0.467 403 S N 0.591 116.490 115.700 0.332 0.000 2.568 403 S HA 0.319 4.789 4.470 -0.000 0.000 0.302 403 S C -0.793 174.033 174.600 0.377 0.000 1.082 403 S CA -1.008 57.357 58.200 0.275 0.000 1.009 403 S CB 1.769 65.051 63.200 0.137 0.000 1.069 403 S HN 0.626 nan 8.310 nan 0.000 0.500 404 E N 0.593 120.957 120.200 0.273 0.000 2.324 404 E HA 0.409 4.759 4.350 -0.000 0.000 0.271 404 E C 0.445 177.018 176.600 -0.045 0.000 1.028 404 E CA -0.217 56.192 56.400 0.014 0.000 0.890 404 E CB 0.582 30.268 29.700 -0.024 0.000 1.004 404 E HN 0.719 nan 8.360 nan 0.000 0.431 405 A N 4.383 127.124 122.820 -0.132 0.000 1.984 405 A HA 0.238 4.558 4.320 -0.000 0.000 0.203 405 A C -0.070 177.439 177.584 -0.124 0.000 1.292 405 A CA 0.191 52.176 52.037 -0.086 0.000 0.782 405 A CB 0.775 19.749 19.000 -0.045 0.000 0.924 405 A HN 0.385 nan 8.150 nan 0.000 0.475 406 V N 0.175 119.973 119.914 -0.194 0.000 2.851 406 V HA 0.427 4.547 4.120 -0.000 0.000 0.307 406 V C -1.262 174.710 176.094 -0.203 0.000 1.129 406 V CA -0.694 61.519 62.300 -0.145 0.000 0.932 406 V CB 1.697 33.451 31.823 -0.115 0.000 1.024 406 V HN 0.500 nan 8.190 nan 0.000 0.426 407 N N 2.157 120.793 118.700 -0.107 0.000 2.621 407 N HA 0.728 5.467 4.740 -0.000 0.000 0.271 407 N C -0.817 174.682 175.510 -0.019 0.000 1.181 407 N CA -0.019 52.964 53.050 -0.111 0.000 0.805 407 N CB 1.313 39.726 38.487 -0.124 0.000 1.351 407 N HN 1.064 nan 8.380 nan 0.000 0.539 408 A N 1.276 124.104 122.820 0.012 0.000 2.532 408 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 408 A C 0.115 177.683 177.584 -0.026 0.000 1.143 408 A CA -0.488 51.559 52.037 0.017 0.000 0.728 408 A CB 1.087 20.143 19.000 0.093 0.000 1.317 408 A HN 0.843 nan 8.150 nan 0.000 0.414 409 S N 1.230 116.898 115.700 -0.053 0.000 3.559 409 S HA -0.181 4.289 4.470 -0.000 0.000 0.369 409 S C 0.127 174.707 174.600 -0.034 0.000 0.987 409 S CA 0.852 59.019 58.200 -0.054 0.000 1.187 409 S CB -1.938 61.223 63.200 -0.064 0.000 0.914 409 S HN 1.632 nan 8.310 nan 0.000 0.480 410 N N -0.824 117.860 118.700 -0.026 0.000 2.738 410 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 410 N C 0.965 176.467 175.510 -0.014 0.000 1.047 410 N CA 2.032 55.072 53.050 -0.018 0.000 0.707 410 N CB -1.778 36.699 38.487 -0.016 0.000 0.937 410 N HN 1.859 nan 8.380 nan 0.000 0.545 411 G N -1.043 107.745 108.800 -0.021 0.000 2.184 411 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.264 411 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.264 411 G C 0.780 175.668 174.900 -0.020 0.000 0.975 411 G CA 0.704 45.790 45.100 -0.022 0.000 0.642 411 G HN 0.564 nan 8.290 nan 0.000 0.536 412 Q N -0.892 118.895 119.800 -0.021 0.000 2.369 412 Q HA 0.225 4.565 4.340 -0.000 0.000 0.206 412 Q C 0.569 176.561 176.000 -0.013 0.000 0.963 412 Q CA 1.163 56.953 55.803 -0.021 0.000 0.894 412 Q CB 0.557 29.278 28.738 -0.028 0.000 0.965 412 Q HN 0.480 nan 8.270 nan 0.000 0.475 413 V N 1.624 121.533 119.914 -0.009 0.000 2.380 413 V HA 0.357 4.477 4.120 -0.000 0.000 0.286 413 V C -0.611 175.445 176.094 -0.063 0.000 1.015 413 V CA -0.588 61.724 62.300 0.021 0.000 0.834 413 V CB 1.466 33.363 31.823 0.123 0.000 1.009 413 V HN 0.123 nan 8.190 nan 0.000 0.428 414 R N 3.304 123.711 120.500 -0.156 0.000 2.628 414 R HA 0.872 5.212 4.340 -0.000 0.000 0.288 414 R C -1.660 174.338 176.300 -0.504 0.000 0.980 414 R CA -0.731 55.090 56.100 -0.465 0.000 0.891 414 R CB 2.888 32.774 30.300 -0.689 0.000 1.188 414 R HN 0.447 nan 8.270 nan 0.000 0.450 415 V N 2.681 122.235 119.914 -0.601 0.000 2.686 415 V HA 0.513 4.633 4.120 -0.000 0.000 0.306 415 V C -0.857 174.997 176.094 -0.400 0.000 1.065 415 V CA -0.866 61.245 62.300 -0.315 0.000 0.894 415 V CB 2.117 33.862 31.823 -0.129 0.000 1.004 415 V HN 0.643 nan 8.190 nan 0.000 0.424 416 W N 4.278 125.583 121.300 0.008 0.000 2.761 416 W HA 0.702 5.362 4.660 -0.000 0.000 0.340 416 W C -0.191 176.448 176.519 0.199 0.000 1.072 416 W CA -0.769 56.624 57.345 0.080 0.000 1.215 416 W CB 2.515 31.985 29.460 0.016 0.000 1.420 416 W HN 0.572 nan 8.180 nan 0.000 0.519 417 R N 0.242 121.033 120.500 0.485 0.000 2.807 417 R HA 0.656 4.996 4.340 -0.000 0.000 0.276 417 R C 0.004 176.442 176.300 0.230 0.000 0.979 417 R CA -0.551 55.758 56.100 0.348 0.000 0.928 417 R CB 1.670 32.062 30.300 0.153 0.000 1.191 417 R HN 0.412 nan 8.270 nan 0.000 0.471 418 S N 0.000 115.671 115.700 -0.048 0.000 2.498 418 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 418 S CA 0.000 57.912 58.200 -0.480 0.000 1.107 418 S CB 0.000 62.920 63.200 -0.467 0.000 0.593 418 S HN 0.000 nan 8.310 nan 0.000 0.517