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 1d9x_1_A DATA FIRST_RESID 2 DATA SEQUENCE EGRFQLVAPY EPQGDQPQAI AKLVDGLRRG VKHQTLLGAT GTGKTFTISN DATA SEQUENCE VIAQVNKPTL VIAHNKTLAG QLYSELKEFF PHNAVEYFVS YYDYYQPEAY DATA SEQUENCE VPQTDTYIEK DAKINDEIDK LRHSATSALF ERRDVIIVAS VSCIYGLGSP DATA SEQUENCE EEYRELVVSL RVGMEIERNA LLRRLVDIQY DRNDIXFRGT FRVRGDVVEI DATA SEQUENCE FPASRDEHCI RVEFFGDEIE XXXAEVDALT GKVLGEREHV AIFPASHFVT DATA SEQUENCE REEKMRLAIQ NIEQELEERL AELRAQGKLL EAQRLEQRTR YDLEMMREMG DATA SEQUENCE FCSGIENYSR HLALRPPGST PYTLLDYFPD DFLIIVDESH VTLPQLRGMY DATA SEQUENCE NGDRARKQVL VDHGFRLPSA LDNRPLTFEE FEQKINQIIY VSATPGPYEL DATA SEQUENCE EHSPGVVEQI IRPTGLLDPT IDVRPTKGQI DDLIGEIRER VERNERTLVT DATA SEQUENCE TLTKKMAEDL TDYLKEAGIK VAYLHSEIKT LERIEIIRDL RLGKYDVLVG DATA SEQUENCE INLLREGLDI PEVSLVAILD ADKEGFLRSE RSLIQTIGRA ARNANGHVIM DATA SEQUENCE YADTITKSME IAIQETKRRR AIQEEYNRKH GIVPRTVKKE IRDV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.566 176.600 -0.056 0.000 1.382 2 E CA 0.000 56.382 56.400 -0.030 0.000 0.976 2 E CB 0.000 29.685 29.700 -0.026 0.000 0.812 3 G N 2.250 111.010 108.800 -0.067 0.000 4.836 3 G HA2 0.431 4.392 3.960 0.000 0.000 0.222 3 G HA3 0.431 4.392 3.960 0.000 0.000 0.222 3 G C -0.456 174.379 174.900 -0.110 0.000 1.332 3 G CA -0.465 44.569 45.100 -0.110 0.000 0.606 3 G HN 0.304 nan 8.290 nan 0.000 0.357 4 R N 0.720 121.151 120.500 -0.115 0.000 2.473 4 R HA 0.342 4.682 4.340 0.000 0.000 0.303 4 R C -1.115 175.191 176.300 0.010 0.000 1.002 4 R CA -0.657 55.426 56.100 -0.028 0.000 0.884 4 R CB 1.424 31.745 30.300 0.035 0.000 1.173 4 R HN 0.270 nan 8.270 nan 0.000 0.464 5 F N 3.096 123.103 119.950 0.096 0.000 2.412 5 F HA 0.141 4.668 4.527 0.000 0.000 0.348 5 F C 1.052 176.976 175.800 0.207 0.000 1.102 5 F CA 0.065 58.159 58.000 0.157 0.000 1.196 5 F CB 1.148 40.219 39.000 0.118 0.000 1.144 5 F HN 0.245 nan 8.300 nan 0.000 0.541 6 Q N 5.163 125.282 119.800 0.531 0.000 2.589 6 Q HA 0.329 4.670 4.340 0.000 0.000 0.245 6 Q C -1.580 174.485 176.000 0.109 0.000 0.931 6 Q CA -0.961 55.009 55.803 0.279 0.000 0.730 6 Q CB 1.635 30.510 28.738 0.228 0.000 1.315 6 Q HN 0.651 nan 8.270 nan 0.000 0.469 7 L N 2.845 124.039 121.223 -0.048 0.000 2.418 7 L HA 0.247 4.587 4.340 0.000 0.000 0.274 7 L C -1.061 175.653 176.870 -0.260 0.000 1.135 7 L CA 0.028 54.597 54.840 -0.451 0.000 0.870 7 L CB 1.140 42.945 42.059 -0.423 0.000 1.154 7 L HN 0.550 nan 8.230 nan 0.000 0.462 8 V N 6.655 126.403 119.914 -0.277 0.000 2.277 8 V HA 0.732 4.852 4.120 0.000 0.000 0.269 8 V C 0.243 176.277 176.094 -0.100 0.000 1.036 8 V CA 0.072 62.273 62.300 -0.164 0.000 0.821 8 V CB 0.554 32.245 31.823 -0.219 0.000 1.052 8 V HN 0.965 nan 8.190 nan 0.000 0.462 9 A N 6.636 129.386 122.820 -0.116 0.000 2.401 9 A HA 0.914 5.234 4.320 0.000 0.000 0.310 9 A C -1.567 175.774 177.584 -0.404 0.000 1.075 9 A CA -1.283 50.561 52.037 -0.322 0.000 0.746 9 A CB 1.673 20.427 19.000 -0.410 0.000 1.277 9 A HN 0.559 nan 8.150 nan 0.000 0.425 10 P HA 0.010 nan 4.420 nan 0.000 0.218 10 P C 0.273 177.446 177.300 -0.213 0.000 1.152 10 P CA 1.318 64.246 63.100 -0.286 0.000 0.826 10 P CB -0.181 31.423 31.700 -0.161 0.000 0.790 11 Y N -0.839 119.397 120.300 -0.107 0.000 2.684 11 Y HA 0.749 5.299 4.550 0.000 0.000 0.373 11 Y C 0.542 176.369 175.900 -0.121 0.000 1.291 11 Y CA -1.155 56.865 58.100 -0.132 0.000 1.472 11 Y CB -0.003 38.332 38.460 -0.209 0.000 1.618 11 Y HN -0.275 nan 8.280 nan 0.000 0.674 12 E N -0.588 119.724 120.200 0.187 0.000 2.412 12 E HA 0.274 4.624 4.350 0.000 0.000 0.279 12 E C -2.989 173.770 176.600 0.265 0.000 0.984 12 E CA -2.394 54.133 56.400 0.211 0.000 0.788 12 E CB 2.269 32.059 29.700 0.150 0.000 1.277 12 E HN 0.311 nan 8.360 nan 0.000 0.455 13 P HA -0.089 nan 4.420 nan 0.000 0.257 13 P C -0.873 176.529 177.300 0.171 0.000 1.189 13 P CA 0.837 64.142 63.100 0.342 0.000 0.780 13 P CB 0.091 31.917 31.700 0.210 0.000 0.772 14 Q N 1.995 121.867 119.800 0.120 0.000 3.022 14 Q HA 0.669 5.010 4.340 0.000 0.000 0.313 14 Q C 0.731 176.732 176.000 0.002 0.000 1.018 14 Q CA -0.895 54.948 55.803 0.067 0.000 0.799 14 Q CB 0.234 29.000 28.738 0.047 0.000 1.498 14 Q HN 0.352 nan 8.270 nan 0.000 0.494 15 G N 1.779 110.553 108.800 -0.043 0.000 2.660 15 G HA2 -0.385 3.576 3.960 0.000 0.000 0.321 15 G HA3 -0.385 3.576 3.960 0.000 0.000 0.321 15 G C -0.031 174.733 174.900 -0.227 0.000 1.246 15 G CA 0.839 45.748 45.100 -0.317 0.000 1.000 15 G HN 1.021 nan 8.290 nan 0.000 0.550 16 D N 0.535 120.806 120.400 -0.215 0.000 2.593 16 D HA 0.184 4.824 4.640 0.000 0.000 0.241 16 D C 1.843 178.117 176.300 -0.044 0.000 1.257 16 D CA 0.767 54.707 54.000 -0.101 0.000 0.828 16 D CB -0.265 40.468 40.800 -0.112 0.000 1.049 16 D HN 0.745 nan 8.370 nan 0.000 0.490 17 Q N 0.507 120.294 119.800 -0.020 0.000 2.030 17 Q HA -0.090 4.250 4.340 0.000 0.000 0.204 17 Q C -0.716 175.284 176.000 0.000 0.000 0.986 17 Q CA 1.188 56.995 55.803 0.006 0.000 0.843 17 Q CB -1.732 27.042 28.738 0.060 0.000 0.904 17 Q HN 0.290 nan 8.270 nan 0.000 0.420 18 P HA -0.272 nan 4.420 nan 0.000 0.217 18 P C 1.582 178.885 177.300 0.005 0.000 1.158 18 P CA 1.801 64.911 63.100 0.016 0.000 0.887 18 P CB -0.309 31.415 31.700 0.040 0.000 0.792 19 Q N -0.071 119.735 119.800 0.010 0.000 2.119 19 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 19 Q C 1.928 177.924 176.000 -0.007 0.000 0.972 19 Q CA 2.156 57.963 55.803 0.006 0.000 0.847 19 Q CB -0.862 27.884 28.738 0.014 0.000 0.903 19 Q HN 0.135 nan 8.270 nan 0.000 0.433 20 A N 1.481 124.293 122.820 -0.014 0.000 1.841 20 A HA -0.093 4.227 4.320 0.000 0.000 0.214 20 A C 2.290 179.854 177.584 -0.033 0.000 1.195 20 A CA 1.315 53.340 52.037 -0.020 0.000 0.611 20 A CB -0.778 18.209 19.000 -0.021 0.000 0.835 20 A HN 0.393 nan 8.150 nan 0.000 0.443 21 I N -0.051 120.492 120.570 -0.045 0.000 2.044 21 I HA -0.380 3.791 4.170 0.000 0.000 0.234 21 I C 3.017 179.105 176.117 -0.050 0.000 1.031 21 I CA 1.530 62.790 61.300 -0.067 0.000 1.305 21 I CB -0.646 37.300 38.000 -0.091 0.000 1.026 21 I HN 0.370 nan 8.210 nan 0.000 0.392 22 A N 0.215 123.014 122.820 -0.034 0.000 1.971 22 A HA -0.328 3.993 4.320 0.000 0.000 0.222 22 A C 2.341 179.913 177.584 -0.021 0.000 1.182 22 A CA 2.453 54.476 52.037 -0.024 0.000 0.649 22 A CB -0.698 18.296 19.000 -0.010 0.000 0.818 22 A HN 0.426 nan 8.150 nan 0.000 0.458 23 K N -0.806 119.582 120.400 -0.019 0.000 2.062 23 K HA 0.079 4.399 4.320 0.000 0.000 0.205 23 K C 1.939 178.526 176.600 -0.022 0.000 1.051 23 K CA 0.999 57.277 56.287 -0.015 0.000 0.941 23 K CB -0.240 32.254 32.500 -0.010 0.000 0.719 23 K HN 0.495 nan 8.250 nan 0.000 0.440 24 L N 0.296 121.501 121.223 -0.030 0.000 2.017 24 L HA -0.196 4.144 4.340 0.000 0.000 0.208 24 L C 2.266 179.108 176.870 -0.047 0.000 1.073 24 L CA 0.962 55.778 54.840 -0.040 0.000 0.745 24 L CB -0.399 41.629 42.059 -0.051 0.000 0.894 24 L HN 0.049 nan 8.230 nan 0.000 0.432 25 V N 0.112 119.997 119.914 -0.048 0.000 2.255 25 V HA -0.363 3.757 4.120 0.000 0.000 0.247 25 V C 2.175 178.249 176.094 -0.034 0.000 1.051 25 V CA 2.325 64.598 62.300 -0.045 0.000 1.018 25 V CB -0.536 31.261 31.823 -0.042 0.000 0.641 25 V HN 0.496 nan 8.190 nan 0.000 0.445 26 D N 0.173 120.557 120.400 -0.026 0.000 2.182 26 D HA -0.113 4.527 4.640 0.000 0.000 0.201 26 D C 2.084 178.371 176.300 -0.021 0.000 0.986 26 D CA 1.375 55.364 54.000 -0.019 0.000 0.847 26 D CB -0.338 40.454 40.800 -0.013 0.000 0.942 26 D HN 0.403 nan 8.370 nan 0.000 0.467 27 G N -0.335 108.450 108.800 -0.025 0.000 2.448 27 G HA2 -0.102 3.858 3.960 0.000 0.000 0.218 27 G HA3 -0.102 3.858 3.960 0.000 0.000 0.218 27 G C 1.633 176.511 174.900 -0.037 0.000 1.135 27 G CA 0.155 45.240 45.100 -0.025 0.000 0.784 27 G HN 0.285 nan 8.290 nan 0.000 0.543 28 L N -0.305 120.891 121.223 -0.046 0.000 2.007 28 L HA -0.003 4.337 4.340 0.000 0.000 0.205 28 L C 3.207 180.052 176.870 -0.043 0.000 1.073 28 L CA 1.062 55.867 54.840 -0.058 0.000 0.744 28 L CB -0.357 41.662 42.059 -0.066 0.000 0.898 28 L HN 0.134 nan 8.230 nan 0.000 0.435 29 R N -0.182 120.299 120.500 -0.031 0.000 2.083 29 R HA -0.150 4.190 4.340 0.000 0.000 0.237 29 R C 2.209 178.498 176.300 -0.018 0.000 1.137 29 R CA 1.193 57.280 56.100 -0.021 0.000 0.951 29 R CB -0.344 29.947 30.300 -0.015 0.000 0.851 29 R HN 0.263 nan 8.270 nan 0.000 0.434 30 R N 0.140 120.629 120.500 -0.018 0.000 2.377 30 R HA -0.036 4.304 4.340 0.000 0.000 0.207 30 R C 0.587 176.876 176.300 -0.017 0.000 1.075 30 R CA 0.661 56.753 56.100 -0.014 0.000 1.035 30 R CB -0.041 30.252 30.300 -0.012 0.000 0.857 30 R HN 0.501 nan 8.270 nan 0.000 0.475 31 G N 0.760 109.545 108.800 -0.025 0.000 2.225 31 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 31 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 31 G C 0.021 174.903 174.900 -0.031 0.000 1.060 31 G CA -0.020 45.061 45.100 -0.031 0.000 0.833 31 G HN 0.144 nan 8.290 nan 0.000 0.498 32 V N 0.072 119.968 119.914 -0.030 0.000 2.555 32 V HA 0.285 4.406 4.120 0.000 0.000 0.286 32 V C 1.744 177.812 176.094 -0.042 0.000 1.044 32 V CA 0.840 63.131 62.300 -0.015 0.000 1.026 32 V CB 1.490 33.312 31.823 -0.002 0.000 0.981 32 V HN 0.513 nan 8.190 nan 0.000 0.480 33 K N 3.753 124.142 120.400 -0.017 0.000 1.991 33 K HA -0.010 4.310 4.320 0.000 0.000 0.207 33 K C 0.665 177.127 176.600 -0.231 0.000 1.045 33 K CA 1.343 57.553 56.287 -0.127 0.000 0.937 33 K CB 0.098 32.573 32.500 -0.042 0.000 0.720 33 K HN 0.824 nan 8.250 nan 0.000 0.438 34 H N 0.406 119.466 119.070 -0.017 0.000 2.489 34 H HA 0.335 4.892 4.556 0.000 0.000 0.343 34 H C -0.653 174.693 175.328 0.029 0.000 1.086 34 H CA -0.809 55.247 56.048 0.013 0.000 1.198 34 H CB 1.665 31.534 29.762 0.178 0.000 1.490 34 H HN 0.192 nan 8.280 nan 0.000 0.504 35 Q N 1.208 121.071 119.800 0.106 0.000 2.433 35 Q HA 0.456 4.796 4.340 0.000 0.000 0.279 35 Q C -0.817 175.282 176.000 0.164 0.000 1.105 35 Q CA -0.967 54.891 55.803 0.091 0.000 0.815 35 Q CB 2.948 31.690 28.738 0.007 0.000 1.403 35 Q HN 0.532 nan 8.270 nan 0.000 0.435 36 T N 1.444 116.093 114.554 0.159 0.000 2.861 36 T HA 0.414 4.764 4.350 0.000 0.000 0.287 36 T C -1.231 173.531 174.700 0.102 0.000 1.003 36 T CA -0.604 61.613 62.100 0.195 0.000 0.977 36 T CB 1.018 70.001 68.868 0.191 0.000 0.996 36 T HN 0.363 nan 8.240 nan 0.000 0.448 37 L N 4.371 125.652 121.223 0.098 0.000 2.321 37 L HA 0.497 4.838 4.340 0.000 0.000 0.272 37 L C -0.383 176.522 176.870 0.058 0.000 1.050 37 L CA -0.515 54.359 54.840 0.056 0.000 0.893 37 L CB 0.163 42.245 42.059 0.037 0.000 1.272 37 L HN 0.662 nan 8.230 nan 0.000 0.435 38 L N 5.491 126.737 121.223 0.039 0.000 2.462 38 L HA 0.462 4.802 4.340 0.000 0.000 0.283 38 L C 0.185 177.061 176.870 0.009 0.000 1.166 38 L CA -0.035 54.819 54.840 0.022 0.000 0.964 38 L CB -0.375 41.688 42.059 0.007 0.000 1.294 38 L HN 0.826 nan 8.230 nan 0.000 0.449 39 G N 3.442 112.251 108.800 0.014 0.000 2.530 39 G HA2 0.624 4.584 3.960 0.000 0.000 0.316 39 G HA3 0.624 4.584 3.960 0.000 0.000 0.316 39 G C -0.537 174.364 174.900 0.002 0.000 1.298 39 G CA -0.352 44.751 45.100 0.005 0.000 0.948 39 G HN 0.789 nan 8.290 nan 0.000 0.486 40 A N 1.924 124.736 122.820 -0.014 0.000 2.407 40 A HA 0.670 4.990 4.320 0.000 0.000 0.248 40 A C 1.183 178.764 177.584 -0.005 0.000 1.082 40 A CA 0.294 52.321 52.037 -0.017 0.000 0.785 40 A CB 0.121 19.102 19.000 -0.031 0.000 1.020 40 A HN 1.477 nan 8.150 nan 0.000 0.489 41 T N -0.791 113.764 114.554 0.001 0.000 2.802 41 T HA 0.473 4.823 4.350 0.000 0.000 0.305 41 T C 1.320 176.020 174.700 -0.001 0.000 1.053 41 T CA 0.616 62.724 62.100 0.013 0.000 1.058 41 T CB 0.966 69.847 68.868 0.022 0.000 0.988 41 T HN 2.479 nan 8.240 nan 0.000 0.539 42 G N 0.876 109.676 108.800 -0.001 0.000 2.336 42 G HA2 -0.286 3.674 3.960 0.000 0.000 0.233 42 G HA3 -0.286 3.674 3.960 0.000 0.000 0.233 42 G C 0.545 175.426 174.900 -0.031 0.000 1.053 42 G CA 0.850 45.939 45.100 -0.018 0.000 0.625 42 G HN 1.665 nan 8.290 nan 0.000 0.511 43 T N -0.721 113.817 114.554 -0.027 0.000 2.726 43 T HA 0.506 4.856 4.350 0.000 0.000 0.294 43 T C 1.140 175.840 174.700 0.000 0.000 1.013 43 T CA 0.710 62.791 62.100 -0.032 0.000 0.996 43 T CB 1.565 70.412 68.868 -0.035 0.000 1.016 43 T HN 1.535 nan 8.240 nan 0.000 0.529 44 G N 0.476 109.289 108.800 0.022 0.000 3.506 44 G HA2 0.229 4.189 3.960 0.000 0.000 0.268 44 G HA3 0.229 4.189 3.960 0.000 0.000 0.268 44 G C 0.760 175.746 174.900 0.144 0.000 0.959 44 G CA -0.675 44.481 45.100 0.093 0.000 1.823 44 G HN 0.833 nan 8.290 nan 0.000 0.615 45 K N 0.224 120.687 120.400 0.105 0.000 2.044 45 K HA -0.140 4.180 4.320 0.000 0.000 0.210 45 K C 2.619 179.286 176.600 0.112 0.000 1.049 45 K CA 2.137 58.480 56.287 0.092 0.000 0.927 45 K CB 0.100 32.650 32.500 0.084 0.000 0.713 45 K HN 0.374 nan 8.250 nan 0.000 0.443 46 T N 0.391 115.055 114.554 0.184 0.000 2.737 46 T HA -0.125 4.225 4.350 0.000 0.000 0.265 46 T C 1.431 176.189 174.700 0.097 0.000 1.038 46 T CA 1.152 63.381 62.100 0.214 0.000 1.144 46 T CB -0.376 68.718 68.868 0.378 0.000 0.866 46 T HN 0.193 nan 8.240 nan 0.000 0.434 47 F N 2.348 122.242 119.950 -0.093 0.000 2.120 47 F HA -0.202 4.325 4.527 0.000 0.000 0.300 47 F C 2.400 178.039 175.800 -0.269 0.000 1.095 47 F CA 1.462 59.181 58.000 -0.468 0.000 1.249 47 F CB -0.993 37.920 39.000 -0.145 0.000 0.995 47 F HN 0.080 nan 8.300 nan 0.000 0.480 48 T N 1.454 115.917 114.554 -0.153 0.000 2.720 48 T HA -0.170 4.180 4.350 0.000 0.000 0.268 48 T C 2.094 176.662 174.700 -0.220 0.000 1.037 48 T CA 1.616 63.594 62.100 -0.204 0.000 1.144 48 T CB -0.294 68.545 68.868 -0.050 0.000 0.864 48 T HN 0.136 nan 8.240 nan 0.000 0.444 49 I N 1.826 122.313 120.570 -0.138 0.000 2.252 49 I HA -0.109 4.061 4.170 0.000 0.000 0.245 49 I C 2.627 178.646 176.117 -0.164 0.000 1.102 49 I CA 1.173 62.404 61.300 -0.114 0.000 1.385 49 I CB -1.570 36.406 38.000 -0.041 0.000 1.064 49 I HN 0.216 nan 8.210 nan 0.000 0.414 50 S N 1.389 116.972 115.700 -0.194 0.000 2.359 50 S HA -0.207 4.263 4.470 0.000 0.000 0.222 50 S C 1.778 176.253 174.600 -0.208 0.000 1.038 50 S CA 1.437 59.563 58.200 -0.123 0.000 1.051 50 S CB -0.694 62.397 63.200 -0.182 0.000 0.944 50 S HN 0.466 nan 8.310 nan 0.000 0.433 51 N N 1.243 119.682 118.700 -0.435 0.000 2.096 51 N HA -0.150 4.590 4.740 0.000 0.000 0.195 51 N C 1.819 177.197 175.510 -0.221 0.000 1.017 51 N CA 1.671 54.493 53.050 -0.379 0.000 0.870 51 N CB -0.627 37.563 38.487 -0.494 0.000 1.024 51 N HN 0.252 nan 8.380 nan 0.000 0.434 52 V N 2.219 122.013 119.914 -0.201 0.000 2.220 52 V HA -0.245 3.876 4.120 0.000 0.000 0.246 52 V C 2.441 178.444 176.094 -0.150 0.000 1.049 52 V CA 1.506 63.717 62.300 -0.149 0.000 1.003 52 V CB -0.594 31.149 31.823 -0.134 0.000 0.634 52 V HN 0.226 nan 8.190 nan 0.000 0.444 53 I N 0.537 120.984 120.570 -0.204 0.000 2.093 53 I HA -0.406 3.765 4.170 0.000 0.000 0.239 53 I C 2.731 178.661 176.117 -0.311 0.000 1.026 53 I CA 2.168 63.277 61.300 -0.317 0.000 1.295 53 I CB -0.759 36.930 38.000 -0.518 0.000 1.007 53 I HN 0.361 nan 8.210 nan 0.000 0.401 54 A N -0.430 122.247 122.820 -0.238 0.000 1.917 54 A HA -0.335 3.986 4.320 0.000 0.000 0.219 54 A C 2.214 179.816 177.584 0.030 0.000 1.182 54 A CA 2.280 54.295 52.037 -0.037 0.000 0.633 54 A CB -0.764 18.273 19.000 0.062 0.000 0.819 54 A HN 0.551 nan 8.150 nan 0.000 0.448 55 Q N -0.799 118.985 119.800 -0.025 0.000 2.230 55 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 55 Q C 1.813 177.824 176.000 0.017 0.000 0.963 55 Q CA 1.635 57.435 55.803 -0.004 0.000 0.866 55 Q CB -0.055 28.661 28.738 -0.037 0.000 0.931 55 Q HN 0.701 nan 8.270 nan 0.000 0.452 56 V N -3.284 116.637 119.914 0.010 0.000 3.590 56 V HA 0.128 4.248 4.120 0.000 0.000 0.265 56 V C 0.038 176.185 176.094 0.090 0.000 1.239 56 V CA -0.220 62.097 62.300 0.028 0.000 1.117 56 V CB -0.271 31.548 31.823 -0.007 0.000 0.818 56 V HN 0.287 nan 8.190 nan 0.000 0.451 57 N N 1.760 120.570 118.700 0.183 0.000 2.614 57 N HA -0.179 4.561 4.740 0.000 0.000 0.276 57 N C -0.421 175.229 175.510 0.233 0.000 1.119 57 N CA 1.113 54.353 53.050 0.317 0.000 0.742 57 N CB -0.489 38.108 38.487 0.183 0.000 0.900 57 N HN 0.637 nan 8.380 nan 0.000 0.549 58 K N 0.961 121.555 120.400 0.323 0.000 2.468 58 K HA 0.463 4.783 4.320 0.000 0.000 0.252 58 K C -2.525 174.278 176.600 0.338 0.000 0.932 58 K CA -1.621 54.800 56.287 0.223 0.000 0.794 58 K CB 2.199 34.763 32.500 0.106 0.000 1.241 58 K HN -0.073 nan 8.250 nan 0.000 0.428 59 P HA 0.089 nan 4.420 nan 0.000 0.271 59 P C -0.926 176.617 177.300 0.404 0.000 1.220 59 P CA -0.203 63.105 63.100 0.347 0.000 0.768 59 P CB 0.888 32.756 31.700 0.281 0.000 0.848 60 T N 1.061 115.844 114.554 0.381 0.000 2.903 60 T HA 0.590 4.940 4.350 0.000 0.000 0.299 60 T C -0.936 173.862 174.700 0.162 0.000 1.093 60 T CA -0.910 61.272 62.100 0.137 0.000 1.002 60 T CB 1.383 70.240 68.868 -0.018 0.000 1.127 60 T HN 0.259 nan 8.240 nan 0.000 0.488 61 L N 2.343 123.499 121.223 -0.112 0.000 2.329 61 L HA 0.857 5.197 4.340 0.000 0.000 0.279 61 L C -1.302 175.550 176.870 -0.030 0.000 1.014 61 L CA -0.635 54.200 54.840 -0.009 0.000 0.814 61 L CB 1.817 43.757 42.059 -0.197 0.000 1.257 61 L HN 0.671 nan 8.230 nan 0.000 0.424 62 V N 6.389 126.327 119.914 0.040 0.000 2.409 62 V HA 0.458 4.578 4.120 0.000 0.000 0.291 62 V C -0.036 176.086 176.094 0.046 0.000 1.020 62 V CA -0.375 61.947 62.300 0.037 0.000 0.848 62 V CB 1.494 33.363 31.823 0.076 0.000 0.990 62 V HN 0.627 nan 8.190 nan 0.000 0.430 63 I N 4.720 125.312 120.570 0.036 0.000 2.328 63 I HA 0.627 4.798 4.170 0.000 0.000 0.287 63 I C 0.608 176.760 176.117 0.059 0.000 1.012 63 I CA -0.247 61.071 61.300 0.031 0.000 1.195 63 I CB 1.420 39.426 38.000 0.011 0.000 1.350 63 I HN 0.670 nan 8.210 nan 0.000 0.464 64 A N 4.265 127.118 122.820 0.056 0.000 2.264 64 A HA 0.434 4.754 4.320 0.000 0.000 0.304 64 A C 0.303 177.917 177.584 0.051 0.000 1.100 64 A CA -0.381 51.684 52.037 0.048 0.000 0.839 64 A CB 0.232 19.255 19.000 0.037 0.000 1.121 64 A HN 0.898 nan 8.150 nan 0.000 0.496 65 H N -0.770 118.321 119.070 0.035 0.000 2.505 65 H HA 0.422 4.978 4.556 0.000 0.000 0.286 65 H C -0.323 175.036 175.328 0.052 0.000 1.072 65 H CA 0.034 56.095 56.048 0.021 0.000 1.141 65 H CB -0.200 29.554 29.762 -0.013 0.000 1.550 65 H HN 0.648 nan 8.280 nan 0.000 0.547 66 N N -1.480 117.160 118.700 -0.101 0.000 3.185 66 N HA 0.048 4.788 4.740 0.000 0.000 0.238 66 N C -0.071 175.437 175.510 -0.003 0.000 1.451 66 N CA -0.875 52.157 53.050 -0.029 0.000 0.888 66 N CB 1.084 39.511 38.487 -0.101 0.000 1.413 66 N HN 0.024 nan 8.380 nan 0.000 0.511 67 K N -0.574 119.828 120.400 0.003 0.000 2.032 67 K HA -0.103 4.218 4.320 0.000 0.000 0.209 67 K C 0.940 177.597 176.600 0.095 0.000 1.048 67 K CA 2.531 58.855 56.287 0.062 0.000 0.927 67 K CB -0.420 32.074 32.500 -0.009 0.000 0.712 67 K HN 0.717 nan 8.250 nan 0.000 0.441 68 T N 2.025 116.594 114.554 0.026 0.000 2.614 68 T HA -0.162 4.188 4.350 0.000 0.000 0.263 68 T C 1.932 176.653 174.700 0.034 0.000 1.055 68 T CA 1.598 63.717 62.100 0.031 0.000 1.162 68 T CB -0.490 68.379 68.868 0.002 0.000 0.863 68 T HN 0.127 nan 8.240 nan 0.000 0.414 69 L N 1.413 122.623 121.223 -0.023 0.000 1.997 69 L HA -0.193 4.148 4.340 0.000 0.000 0.216 69 L C 3.199 180.111 176.870 0.069 0.000 1.074 69 L CA 1.596 56.429 54.840 -0.010 0.000 0.763 69 L CB -1.126 40.867 42.059 -0.110 0.000 0.890 69 L HN 0.284 nan 8.230 nan 0.000 0.434 70 A N 0.649 123.529 122.820 0.101 0.000 1.903 70 A HA -0.220 4.100 4.320 0.000 0.000 0.219 70 A C 2.451 180.225 177.584 0.316 0.000 1.191 70 A CA 2.252 54.425 52.037 0.227 0.000 0.638 70 A CB -1.582 17.572 19.000 0.256 0.000 0.823 70 A HN 0.493 nan 8.150 nan 0.000 0.451 71 G N -1.190 107.763 108.800 0.255 0.000 2.446 71 G HA2 -0.327 3.633 3.960 0.000 0.000 0.217 71 G HA3 -0.327 3.633 3.960 0.000 0.000 0.217 71 G C 1.627 176.587 174.900 0.099 0.000 1.168 71 G CA 1.303 46.434 45.100 0.052 0.000 0.771 71 G HN 0.651 nan 8.290 nan 0.000 0.551 72 Q N -0.317 119.538 119.800 0.091 0.000 2.061 72 Q HA -0.061 4.280 4.340 0.000 0.000 0.204 72 Q C 2.553 178.615 176.000 0.103 0.000 0.984 72 Q CA 1.369 57.217 55.803 0.075 0.000 0.846 72 Q CB -0.277 28.497 28.738 0.061 0.000 0.902 72 Q HN 0.486 nan 8.270 nan 0.000 0.421 73 L N -0.445 120.866 121.223 0.148 0.000 2.131 73 L HA -0.195 4.145 4.340 0.000 0.000 0.210 73 L C 2.204 179.210 176.870 0.228 0.000 1.092 73 L CA 1.142 56.093 54.840 0.185 0.000 0.759 73 L CB -0.592 41.583 42.059 0.193 0.000 0.903 73 L HN 0.351 nan 8.230 nan 0.000 0.435 74 Y N 0.759 121.107 120.300 0.079 0.000 2.049 74 Y HA -0.340 4.210 4.550 0.000 0.000 0.277 74 Y C 2.961 178.877 175.900 0.027 0.000 1.143 74 Y CA 1.498 59.630 58.100 0.053 0.000 1.115 74 Y CB -0.759 37.654 38.460 -0.078 0.000 0.975 74 Y HN 0.320 nan 8.280 nan 0.000 0.487 75 S N -0.464 115.166 115.700 -0.117 0.000 2.353 75 S HA -0.273 4.197 4.470 0.000 0.000 0.222 75 S C 2.039 176.551 174.600 -0.147 0.000 1.035 75 S CA 1.529 59.604 58.200 -0.208 0.000 1.025 75 S CB -0.983 62.146 63.200 -0.118 0.000 0.902 75 S HN 0.639 nan 8.310 nan 0.000 0.440 76 E N 0.782 120.937 120.200 -0.075 0.000 2.065 76 E HA -0.155 4.195 4.350 0.000 0.000 0.201 76 E C 2.092 178.636 176.600 -0.094 0.000 1.016 76 E CA 1.672 58.000 56.400 -0.121 0.000 0.818 76 E CB -0.300 29.403 29.700 0.005 0.000 0.749 76 E HN 0.552 nan 8.360 nan 0.000 0.453 77 L N 0.129 121.428 121.223 0.128 0.000 2.291 77 L HA -0.137 4.204 4.340 0.000 0.000 0.214 77 L C 2.287 179.315 176.870 0.262 0.000 1.120 77 L CA 0.735 55.774 54.840 0.332 0.000 0.799 77 L CB -0.032 42.234 42.059 0.346 0.000 0.925 77 L HN 0.042 nan 8.230 nan 0.000 0.446 78 K N -0.336 120.077 120.400 0.022 0.000 2.032 78 K HA -0.190 4.130 4.320 0.000 0.000 0.209 78 K C 2.055 178.647 176.600 -0.014 0.000 1.048 78 K CA 1.361 57.623 56.287 -0.043 0.000 0.927 78 K CB 0.039 32.392 32.500 -0.245 0.000 0.712 78 K HN 0.139 nan 8.250 nan 0.000 0.441 79 E N 0.252 120.383 120.200 -0.115 0.000 2.058 79 E HA -0.177 4.174 4.350 0.000 0.000 0.194 79 E C 1.993 178.494 176.600 -0.165 0.000 0.997 79 E CA 1.289 57.577 56.400 -0.186 0.000 0.801 79 E CB -0.399 29.105 29.700 -0.328 0.000 0.746 79 E HN 0.224 nan 8.360 nan 0.000 0.450 80 F N -0.274 119.624 119.950 -0.086 0.000 2.161 80 F HA -0.093 4.434 4.527 0.000 0.000 0.300 80 F C 1.060 176.488 175.800 -0.620 0.000 1.089 80 F CA 0.782 58.593 58.000 -0.314 0.000 1.282 80 F CB -0.290 38.548 39.000 -0.271 0.000 1.010 80 F HN -0.109 nan 8.300 nan 0.000 0.485 81 F N 0.501 120.539 119.950 0.146 0.000 2.550 81 F HA 0.329 4.857 4.527 0.000 0.000 0.348 81 F C -1.754 174.066 175.800 0.034 0.000 1.219 81 F CA -1.950 56.102 58.000 0.086 0.000 1.203 81 F CB 0.577 39.678 39.000 0.168 0.000 1.436 81 F HN -0.244 nan 8.300 nan 0.000 0.541 82 P HA -0.071 nan 4.420 nan 0.000 0.227 82 P C 0.354 177.773 177.300 0.198 0.000 1.161 82 P CA 1.319 64.451 63.100 0.054 0.000 0.788 82 P CB 0.056 31.738 31.700 -0.032 0.000 0.822 83 H N -1.172 117.992 119.070 0.157 0.000 2.524 83 H HA 0.371 4.927 4.556 0.000 0.000 0.299 83 H C 0.153 175.575 175.328 0.157 0.000 1.074 83 H CA -0.548 55.579 56.048 0.131 0.000 1.115 83 H CB -0.104 29.724 29.762 0.111 0.000 1.522 83 H HN 0.186 nan 8.280 nan 0.000 0.543 84 N N -0.120 118.748 118.700 0.282 0.000 2.902 84 N HA 0.469 5.209 4.740 0.000 0.000 0.268 84 N C -0.973 174.642 175.510 0.176 0.000 1.450 84 N CA -0.809 52.375 53.050 0.223 0.000 0.819 84 N CB 1.352 40.035 38.487 0.326 0.000 1.540 84 N HN 0.129 nan 8.380 nan 0.000 0.545 85 A N 1.000 123.891 122.820 0.118 0.000 2.922 85 A HA 0.366 4.686 4.320 0.000 0.000 0.298 85 A C -0.713 176.964 177.584 0.154 0.000 1.588 85 A CA -0.114 51.987 52.037 0.108 0.000 1.288 85 A CB -0.771 18.252 19.000 0.037 0.000 1.130 85 A HN 0.302 nan 8.150 nan 0.000 0.557 86 V N 3.578 123.610 119.914 0.197 0.000 2.370 86 V HA 0.360 4.480 4.120 0.000 0.000 0.279 86 V C -0.290 176.026 176.094 0.369 0.000 1.029 86 V CA -0.310 62.145 62.300 0.258 0.000 0.870 86 V CB 1.238 33.205 31.823 0.241 0.000 0.984 86 V HN 0.810 nan 8.190 nan 0.000 0.451 87 E N 3.262 123.680 120.200 0.363 0.000 2.336 87 E HA 0.423 4.773 4.350 0.000 0.000 0.267 87 E C -1.581 175.125 176.600 0.176 0.000 0.906 87 E CA -0.765 55.814 56.400 0.299 0.000 0.781 87 E CB 2.857 32.656 29.700 0.164 0.000 1.261 87 E HN 0.518 nan 8.360 nan 0.000 0.436 88 Y N 1.139 121.282 120.300 -0.261 0.000 2.328 88 Y HA 0.405 4.955 4.550 0.000 0.000 0.333 88 Y C -1.404 174.406 175.900 -0.151 0.000 0.958 88 Y CA -1.376 56.453 58.100 -0.452 0.000 1.167 88 Y CB 0.654 38.554 38.460 -0.934 0.000 1.151 88 Y HN 0.503 nan 8.280 nan 0.000 0.470 89 F N 7.696 127.399 119.950 -0.411 0.000 2.453 89 F HA 0.542 5.069 4.527 0.000 0.000 0.358 89 F C -0.989 174.502 175.800 -0.514 0.000 1.129 89 F CA -0.600 57.166 58.000 -0.391 0.000 1.200 89 F CB 0.244 39.095 39.000 -0.248 0.000 1.431 89 F HN 0.407 nan 8.300 nan 0.000 0.503 90 V N 2.956 122.546 119.914 -0.541 0.000 3.420 90 V HA 0.788 4.908 4.120 0.000 0.000 0.295 90 V C -0.369 175.536 176.094 -0.315 0.000 1.201 90 V CA 0.413 62.480 62.300 -0.389 0.000 0.995 90 V CB 2.175 33.657 31.823 -0.568 0.000 1.244 90 V HN 0.659 nan 8.190 nan 0.000 0.466 91 S N -0.846 114.729 115.700 -0.208 0.000 2.757 91 S HA 0.456 4.926 4.470 0.000 0.000 0.285 91 S C -0.744 173.655 174.600 -0.335 0.000 1.196 91 S CA -0.277 57.675 58.200 -0.413 0.000 0.856 91 S CB 0.815 63.923 63.200 -0.154 0.000 1.212 91 S HN 0.551 nan 8.310 nan 0.000 0.516 92 Y N 1.234 121.673 120.300 0.232 0.000 2.532 92 Y HA 0.224 4.774 4.550 0.000 0.000 0.283 92 Y C 1.521 177.542 175.900 0.201 0.000 1.181 92 Y CA -0.356 57.950 58.100 0.344 0.000 1.256 92 Y CB -0.694 37.990 38.460 0.373 0.000 1.112 92 Y HN 0.751 nan 8.280 nan 0.000 0.521 93 Y N 0.340 120.642 120.300 0.004 0.000 2.352 93 Y HA -0.113 4.437 4.550 0.000 0.000 0.292 93 Y C 0.932 176.783 175.900 -0.082 0.000 1.136 93 Y CA 0.946 58.998 58.100 -0.079 0.000 1.227 93 Y CB -0.453 37.895 38.460 -0.188 0.000 0.991 93 Y HN 0.203 nan 8.280 nan 0.000 0.545 94 D N -1.597 118.073 120.400 -1.216 0.000 2.676 94 D HA 0.130 4.770 4.640 0.000 0.000 0.239 94 D C -0.140 175.615 176.300 -0.909 0.000 1.213 94 D CA 0.103 53.395 54.000 -1.179 0.000 0.835 94 D CB -0.641 39.398 40.800 -1.269 0.000 1.009 94 D HN 0.624 nan 8.370 nan 0.000 0.479 95 Y N -1.409 118.539 120.300 -0.586 0.000 1.958 95 Y HA 0.128 4.678 4.550 0.000 0.000 0.065 95 Y C -0.361 175.180 175.900 -0.598 0.000 1.360 95 Y CA -1.423 56.208 58.100 -0.783 0.000 1.660 95 Y CB 0.146 37.648 38.460 -1.597 0.000 1.362 95 Y HN -0.238 nan 8.280 nan 0.000 0.182 96 Y N 3.939 124.356 120.300 0.195 0.000 3.142 96 Y HA -0.146 4.404 4.550 0.000 0.000 0.347 96 Y C 0.331 176.257 175.900 0.044 0.000 1.269 96 Y CA -0.152 57.996 58.100 0.079 0.000 1.560 96 Y CB -0.023 38.465 38.460 0.047 0.000 1.220 96 Y HN 0.112 nan 8.280 nan 0.000 0.626 97 Q N 4.416 124.297 119.800 0.136 0.000 2.339 97 Q HA -0.031 4.310 4.340 0.000 0.000 0.308 97 Q C -2.001 174.031 176.000 0.053 0.000 1.097 97 Q CA -0.815 55.024 55.803 0.060 0.000 1.007 97 Q CB 0.155 28.914 28.738 0.034 0.000 1.051 97 Q HN 0.409 nan 8.270 nan 0.000 0.381 98 P HA -0.005 nan 4.420 nan 0.000 0.220 98 P C -0.136 177.166 177.300 0.003 0.000 1.778 98 P CA -0.218 62.903 63.100 0.035 0.000 0.912 98 P CB -0.171 31.556 31.700 0.044 0.000 1.861 99 E N 0.913 121.098 120.200 -0.024 0.000 0.706 99 E HA -0.174 4.176 4.350 0.000 0.000 0.354 99 E C -0.873 175.671 176.600 -0.094 0.000 0.731 99 E CA 0.404 56.750 56.400 -0.090 0.000 1.332 99 E CB -0.404 29.260 29.700 -0.060 0.000 0.404 99 E HN 0.396 nan 8.360 nan 0.000 0.359 100 A N 4.373 127.111 122.820 -0.137 0.000 2.525 100 A HA 0.732 5.053 4.320 0.000 0.000 0.291 100 A C -1.844 175.736 177.584 -0.007 0.000 1.268 100 A CA -0.480 51.525 52.037 -0.052 0.000 0.712 100 A CB 1.347 20.332 19.000 -0.026 0.000 1.320 100 A HN 0.554 nan 8.150 nan 0.000 0.456 101 Y N -0.307 119.959 120.300 -0.056 0.000 2.396 101 Y HA 0.507 5.057 4.550 0.000 0.000 0.332 101 Y C -1.084 174.821 175.900 0.007 0.000 1.034 101 Y CA -0.707 57.410 58.100 0.028 0.000 1.057 101 Y CB 2.032 40.650 38.460 0.263 0.000 1.220 101 Y HN 0.470 nan 8.280 nan 0.000 0.440 102 V N 9.914 129.490 119.914 -0.563 0.000 2.356 102 V HA 0.174 4.294 4.120 0.000 0.000 0.258 102 V C -1.830 173.913 176.094 -0.585 0.000 1.065 102 V CA -1.265 60.768 62.300 -0.445 0.000 0.935 102 V CB 0.545 32.187 31.823 -0.302 0.000 1.061 102 V HN 0.731 nan 8.190 nan 0.000 0.484 103 P HA -0.184 nan 4.420 nan 0.000 0.208 103 P C 1.572 178.921 177.300 0.081 0.000 1.189 103 P CA 1.215 64.417 63.100 0.171 0.000 0.931 103 P CB 0.156 32.020 31.700 0.273 0.000 0.783 104 Q N -0.632 119.191 119.800 0.038 0.000 2.065 104 Q HA -0.186 4.154 4.340 0.000 0.000 0.213 104 Q C 1.985 177.987 176.000 0.003 0.000 1.012 104 Q CA 2.838 58.655 55.803 0.023 0.000 0.876 104 Q CB -2.202 26.538 28.738 0.004 0.000 0.954 104 Q HN 0.293 nan 8.270 nan 0.000 0.413 105 T N 0.040 114.568 114.554 -0.043 0.000 3.160 105 T HA -0.018 4.332 4.350 0.000 0.000 0.257 105 T C -0.138 174.546 174.700 -0.028 0.000 1.147 105 T CA 0.593 62.671 62.100 -0.038 0.000 1.064 105 T CB -0.504 68.330 68.868 -0.057 0.000 0.949 105 T HN 0.439 nan 8.240 nan 0.000 0.526 106 D N 2.308 122.692 120.400 -0.026 0.000 2.829 106 D HA -0.143 4.497 4.640 0.000 0.000 0.219 106 D C -0.672 175.707 176.300 0.131 0.000 1.239 106 D CA 0.824 54.899 54.000 0.124 0.000 0.685 106 D CB -0.848 40.078 40.800 0.209 0.000 0.950 106 D HN 0.476 nan 8.370 nan 0.000 0.398 107 T N 0.350 114.845 114.554 -0.098 0.000 3.008 107 T HA 0.265 4.616 4.350 0.000 0.000 0.328 107 T C -0.443 174.335 174.700 0.131 0.000 1.020 107 T CA -0.820 61.317 62.100 0.063 0.000 1.043 107 T CB 0.537 69.399 68.868 -0.010 0.000 1.010 107 T HN 0.245 nan 8.240 nan 0.000 0.466 108 Y N 3.510 124.026 120.300 0.360 0.000 2.359 108 Y HA 0.582 5.132 4.550 0.000 0.000 0.330 108 Y C -0.740 175.239 175.900 0.132 0.000 1.143 108 Y CA -0.844 57.500 58.100 0.406 0.000 1.318 108 Y CB 0.481 39.016 38.460 0.125 0.000 1.234 108 Y HN 0.575 nan 8.280 nan 0.000 0.522 109 I N 5.389 125.720 120.570 -0.399 0.000 2.433 109 I HA 0.252 4.422 4.170 0.000 0.000 0.292 109 I C -0.599 175.231 176.117 -0.478 0.000 1.001 109 I CA -0.476 60.663 61.300 -0.268 0.000 1.119 109 I CB 1.887 39.792 38.000 -0.159 0.000 1.289 109 I HN 0.620 nan 8.210 nan 0.000 0.438 110 E N 4.153 124.298 120.200 -0.091 0.000 2.242 110 E HA 0.242 4.593 4.350 0.000 0.000 0.275 110 E C -0.371 176.227 176.600 -0.003 0.000 1.002 110 E CA -1.058 55.362 56.400 0.032 0.000 0.841 110 E CB 1.190 30.982 29.700 0.154 0.000 1.109 110 E HN 0.319 nan 8.360 nan 0.000 0.394 111 K N 2.779 123.188 120.400 0.015 0.000 2.319 111 K HA -0.084 4.237 4.320 0.000 0.000 0.277 111 K C -1.089 175.521 176.600 0.016 0.000 1.111 111 K CA 0.415 56.713 56.287 0.018 0.000 1.093 111 K CB -0.042 32.471 32.500 0.023 0.000 0.910 111 K HN 0.399 nan 8.250 nan 0.000 0.452 112 D N 3.735 124.150 120.400 0.025 0.000 2.461 112 D HA 0.426 5.066 4.640 0.000 0.000 0.240 112 D C -1.334 174.967 176.300 0.002 0.000 1.094 112 D CA -0.441 53.563 54.000 0.008 0.000 0.868 112 D CB 1.102 41.914 40.800 0.021 0.000 1.062 112 D HN 0.561 nan 8.370 nan 0.000 0.530 113 A N 3.382 126.131 122.820 -0.119 0.000 2.532 113 A HA 0.776 5.097 4.320 0.000 0.000 0.290 113 A C -1.107 176.182 177.584 -0.491 0.000 1.143 113 A CA -0.873 50.948 52.037 -0.360 0.000 0.728 113 A CB 1.743 20.547 19.000 -0.326 0.000 1.317 113 A HN 0.327 nan 8.150 nan 0.000 0.414 114 K N 1.784 121.686 120.400 -0.830 0.000 2.604 114 K HA 0.285 4.605 4.320 0.000 0.000 0.247 114 K C -1.032 175.131 176.600 -0.728 0.000 0.956 114 K CA -0.628 55.298 56.287 -0.601 0.000 0.896 114 K CB 1.203 33.444 32.500 -0.433 0.000 1.131 114 K HN 0.584 nan 8.250 nan 0.000 0.440 115 I N 3.260 123.450 120.570 -0.633 0.000 2.792 115 I HA -0.099 4.071 4.170 0.000 0.000 0.284 115 I C 0.438 176.334 176.117 -0.368 0.000 1.166 115 I CA 0.122 61.003 61.300 -0.698 0.000 1.375 115 I CB -0.883 36.875 38.000 -0.403 0.000 1.421 115 I HN 0.243 nan 8.210 nan 0.000 0.544 116 N N 5.928 124.485 118.700 -0.238 0.000 3.193 116 N HA -0.048 4.692 4.740 0.000 0.000 0.312 116 N C 1.150 176.736 175.510 0.126 0.000 1.261 116 N CA 0.080 53.168 53.050 0.064 0.000 1.208 116 N CB -0.348 38.306 38.487 0.277 0.000 1.471 116 N HN 0.446 nan 8.380 nan 0.000 0.548 117 D N 1.006 121.435 120.400 0.049 0.000 6.119 117 D HA -0.322 4.318 4.640 0.000 0.000 0.198 117 D C 1.196 177.552 176.300 0.093 0.000 1.748 117 D CA 1.945 55.977 54.000 0.054 0.000 0.819 117 D CB 0.278 41.084 40.800 0.009 0.000 0.813 117 D HN 0.549 nan 8.370 nan 0.000 0.760 118 E N -0.540 119.722 120.200 0.103 0.000 2.049 118 E HA -0.211 4.140 4.350 0.000 0.000 0.198 118 E C 2.353 179.032 176.600 0.132 0.000 1.007 118 E CA 1.324 57.792 56.400 0.113 0.000 0.809 118 E CB -0.143 29.629 29.700 0.120 0.000 0.749 118 E HN 0.438 nan 8.360 nan 0.000 0.450 119 I N 1.772 122.436 120.570 0.157 0.000 2.087 119 I HA -0.302 3.868 4.170 0.000 0.000 0.240 119 I C 2.303 178.448 176.117 0.047 0.000 1.054 119 I CA 1.672 63.029 61.300 0.094 0.000 1.311 119 I CB -1.456 36.578 38.000 0.057 0.000 1.024 119 I HN 0.110 nan 8.210 nan 0.000 0.402 120 D N 1.046 121.528 120.400 0.137 0.000 2.170 120 D HA -0.255 4.385 4.640 0.000 0.000 0.193 120 D C 2.221 178.657 176.300 0.228 0.000 1.004 120 D CA 1.715 55.822 54.000 0.178 0.000 0.860 120 D CB -0.144 40.783 40.800 0.211 0.000 0.931 120 D HN 0.310 nan 8.370 nan 0.000 0.448 121 K N -0.069 120.424 120.400 0.155 0.000 2.000 121 K HA -0.204 4.117 4.320 0.000 0.000 0.218 121 K C 2.358 179.037 176.600 0.131 0.000 1.053 121 K CA 1.772 58.141 56.287 0.137 0.000 0.946 121 K CB -0.411 32.151 32.500 0.103 0.000 0.723 121 K HN 0.237 nan 8.250 nan 0.000 0.446 122 L N 0.535 121.809 121.223 0.085 0.000 2.046 122 L HA -0.149 4.192 4.340 0.000 0.000 0.208 122 L C 2.788 179.624 176.870 -0.056 0.000 1.077 122 L CA 1.042 55.911 54.840 0.049 0.000 0.747 122 L CB -0.644 41.451 42.059 0.060 0.000 0.896 122 L HN 0.160 nan 8.230 nan 0.000 0.432 123 R N 0.072 120.452 120.500 -0.200 0.000 2.122 123 R HA -0.226 4.114 4.340 0.000 0.000 0.236 123 R C 2.318 178.491 176.300 -0.212 0.000 1.129 123 R CA 2.428 58.233 56.100 -0.492 0.000 0.925 123 R CB -0.968 28.989 30.300 -0.571 0.000 0.850 123 R HN 0.470 nan 8.270 nan 0.000 0.431 124 H N 0.135 119.238 119.070 0.055 0.000 2.352 124 H HA -0.094 4.462 4.556 0.000 0.000 0.299 124 H C 2.465 177.824 175.328 0.052 0.000 1.097 124 H CA 2.114 58.234 56.048 0.120 0.000 1.311 124 H CB -0.087 29.716 29.762 0.068 0.000 1.377 124 H HN 0.341 nan 8.280 nan 0.000 0.504 125 S N 0.234 116.019 115.700 0.143 0.000 2.402 125 S HA -0.114 4.356 4.470 0.000 0.000 0.229 125 S C 2.410 177.026 174.600 0.027 0.000 1.021 125 S CA 0.640 58.893 58.200 0.089 0.000 0.974 125 S CB -0.387 62.876 63.200 0.104 0.000 0.800 125 S HN 0.505 nan 8.310 nan 0.000 0.484 126 A N 2.615 125.442 122.820 0.011 0.000 1.873 126 A HA -0.071 4.249 4.320 0.000 0.000 0.215 126 A C 2.584 180.096 177.584 -0.119 0.000 1.186 126 A CA 2.225 54.249 52.037 -0.021 0.000 0.616 126 A CB -1.711 17.316 19.000 0.045 0.000 0.823 126 A HN 0.714 nan 8.150 nan 0.000 0.442 127 T N -1.537 112.943 114.554 -0.123 0.000 2.867 127 T HA -0.120 4.231 4.350 0.000 0.000 0.268 127 T C 2.000 176.623 174.700 -0.128 0.000 1.057 127 T CA 1.769 63.733 62.100 -0.226 0.000 1.136 127 T CB -0.697 67.940 68.868 -0.386 0.000 0.874 127 T HN 0.515 nan 8.240 nan 0.000 0.466 128 S N 2.874 118.475 115.700 -0.164 0.000 2.345 128 S HA 0.146 4.616 4.470 0.000 0.000 0.220 128 S C 2.604 177.083 174.600 -0.202 0.000 1.031 128 S CA 0.695 58.604 58.200 -0.485 0.000 0.996 128 S CB -1.138 61.715 63.200 -0.580 0.000 0.882 128 S HN 0.708 nan 8.310 nan 0.000 0.445 129 A N 2.060 124.809 122.820 -0.119 0.000 1.986 129 A HA -0.013 4.307 4.320 0.000 0.000 0.220 129 A C 2.152 179.644 177.584 -0.152 0.000 1.171 129 A CA 1.367 53.359 52.037 -0.075 0.000 0.640 129 A CB -1.071 17.900 19.000 -0.048 0.000 0.811 129 A HN 0.510 nan 8.150 nan 0.000 0.451 130 L N -2.126 118.897 121.223 -0.332 0.000 2.447 130 L HA -0.128 4.212 4.340 0.000 0.000 0.225 130 L C 1.486 178.006 176.870 -0.584 0.000 1.148 130 L CA 0.857 55.367 54.840 -0.550 0.000 0.808 130 L CB -0.333 41.220 42.059 -0.842 0.000 0.928 130 L HN 0.495 nan 8.230 nan 0.000 0.448 131 F N -1.815 118.117 119.950 -0.031 0.000 2.682 131 F HA 0.094 4.621 4.527 0.000 0.000 0.308 131 F C 2.022 177.872 175.800 0.082 0.000 1.093 131 F CA -0.182 57.856 58.000 0.063 0.000 1.244 131 F CB 0.476 39.597 39.000 0.202 0.000 1.052 131 F HN -0.076 nan 8.300 nan 0.000 0.573 132 E N 0.161 120.463 120.200 0.170 0.000 2.175 132 E HA 0.126 4.477 4.350 0.000 0.000 0.195 132 E C 0.732 177.357 176.600 0.042 0.000 0.934 132 E CA 0.194 56.668 56.400 0.124 0.000 0.870 132 E CB 0.438 30.209 29.700 0.119 0.000 0.838 132 E HN 0.122 nan 8.360 nan 0.000 0.474 133 R N -0.837 119.661 120.500 -0.003 0.000 2.912 133 R HA 0.508 4.848 4.340 0.000 0.000 0.262 133 R C 0.273 176.525 176.300 -0.081 0.000 1.057 133 R CA -0.788 55.284 56.100 -0.046 0.000 0.981 133 R CB 0.898 31.163 30.300 -0.058 0.000 1.201 133 R HN -0.164 nan 8.270 nan 0.000 0.484 134 R N 0.397 120.831 120.500 -0.111 0.000 2.365 134 R HA 0.035 4.375 4.340 0.000 0.000 0.223 134 R C -0.509 175.646 176.300 -0.242 0.000 0.899 134 R CA 0.504 56.535 56.100 -0.115 0.000 1.059 134 R CB 0.119 30.375 30.300 -0.074 0.000 1.086 134 R HN 0.761 nan 8.270 nan 0.000 0.522 135 D N 0.533 120.703 120.400 -0.384 0.000 2.943 135 D HA 0.116 4.756 4.640 0.000 0.000 0.249 135 D C -0.224 175.781 176.300 -0.492 0.000 1.231 135 D CA -0.276 53.195 54.000 -0.881 0.000 0.979 135 D CB 0.337 40.660 40.800 -0.794 0.000 1.053 135 D HN -0.259 nan 8.370 nan 0.000 0.504 136 V N -0.245 119.573 119.914 -0.159 0.000 2.769 136 V HA 0.584 4.704 4.120 0.000 0.000 0.312 136 V C 0.032 176.282 176.094 0.260 0.000 1.061 136 V CA -0.995 61.338 62.300 0.056 0.000 0.931 136 V CB 1.949 33.761 31.823 -0.019 0.000 1.010 136 V HN 0.238 nan 8.190 nan 0.000 0.433 137 I N 3.967 124.668 120.570 0.219 0.000 2.548 137 I HA 0.520 4.690 4.170 0.000 0.000 0.287 137 I C -1.197 175.048 176.117 0.213 0.000 1.103 137 I CA -0.188 61.234 61.300 0.204 0.000 1.049 137 I CB 2.191 40.234 38.000 0.072 0.000 1.232 137 I HN 0.485 nan 8.210 nan 0.000 0.429 138 I N 6.580 127.298 120.570 0.247 0.000 2.436 138 I HA 0.412 4.583 4.170 0.000 0.000 0.289 138 I C -0.468 175.773 176.117 0.207 0.000 1.010 138 I CA -0.886 60.553 61.300 0.231 0.000 1.098 138 I CB 1.993 40.130 38.000 0.230 0.000 1.266 138 I HN 0.122 nan 8.210 nan 0.000 0.434 139 V N 5.426 125.471 119.914 0.217 0.000 2.509 139 V HA 0.852 4.972 4.120 0.000 0.000 0.284 139 V C 0.280 176.444 176.094 0.116 0.000 1.047 139 V CA -0.235 62.185 62.300 0.200 0.000 0.952 139 V CB 1.248 33.258 31.823 0.313 0.000 0.988 139 V HN 0.881 nan 8.190 nan 0.000 0.469 140 A N 3.316 126.167 122.820 0.051 0.000 2.606 140 A HA 0.848 5.169 4.320 0.000 0.000 0.293 140 A C -0.156 177.398 177.584 -0.051 0.000 1.082 140 A CA -0.116 51.898 52.037 -0.040 0.000 0.685 140 A CB 1.759 20.708 19.000 -0.084 0.000 1.284 140 A HN 0.944 nan 8.150 nan 0.000 0.408 141 S N -0.278 115.363 115.700 -0.098 0.000 2.607 141 S HA 0.432 4.902 4.470 0.000 0.000 0.272 141 S C 1.469 175.955 174.600 -0.190 0.000 1.166 141 S CA 0.175 58.316 58.200 -0.097 0.000 1.021 141 S CB -0.026 63.146 63.200 -0.047 0.000 1.113 141 S HN 1.974 nan 8.310 nan 0.000 0.531 142 V N -0.154 119.613 119.914 -0.246 0.000 2.568 142 V HA -0.144 3.976 4.120 0.000 0.000 0.253 142 V C 2.619 178.561 176.094 -0.255 0.000 1.072 142 V CA 2.077 64.225 62.300 -0.253 0.000 1.084 142 V CB -2.220 29.483 31.823 -0.201 0.000 0.676 142 V HN 1.066 nan 8.190 nan 0.000 0.469 143 S N 2.331 117.787 115.700 -0.407 0.000 2.399 143 S HA -0.431 4.039 4.470 0.000 0.000 0.235 143 S C 2.081 176.650 174.600 -0.052 0.000 1.063 143 S CA 2.342 60.448 58.200 -0.156 0.000 1.070 143 S CB -2.088 60.937 63.200 -0.291 0.000 0.904 143 S HN 1.303 nan 8.310 nan 0.000 0.456 144 C N 2.070 121.228 119.300 -0.237 0.000 2.393 144 C HA 0.053 4.514 4.460 0.000 0.000 0.292 144 C C 2.230 177.112 174.990 -0.180 0.000 1.347 144 C CA 0.248 59.040 59.018 -0.377 0.000 1.810 144 C CB -2.183 25.352 27.740 -0.341 0.000 1.899 144 C HN 0.815 nan 8.230 nan 0.000 0.532 145 I N -4.521 115.980 120.570 -0.115 0.000 3.904 145 I HA 0.416 4.586 4.170 0.000 0.000 0.333 145 I C 0.316 176.375 176.117 -0.097 0.000 1.361 145 I CA -0.670 60.567 61.300 -0.104 0.000 1.116 145 I CB -0.575 37.308 38.000 -0.194 0.000 1.028 145 I HN 0.172 nan 8.210 nan 0.000 0.398 146 Y N 1.989 122.256 120.300 -0.055 0.000 2.354 146 Y HA 0.591 5.141 4.550 0.000 0.000 0.322 146 Y C 1.493 177.443 175.900 0.083 0.000 1.253 146 Y CA -0.407 57.704 58.100 0.019 0.000 1.272 146 Y CB 1.296 39.772 38.460 0.027 0.000 1.255 146 Y HN 0.108 nan 8.280 nan 0.000 0.500 147 G N 3.355 112.376 108.800 0.368 0.000 2.195 147 G HA2 0.239 4.199 3.960 0.000 0.000 0.264 147 G HA3 0.239 4.199 3.960 0.000 0.000 0.264 147 G C -0.710 174.429 174.900 0.398 0.000 1.148 147 G CA -0.016 45.279 45.100 0.325 0.000 1.023 147 G HN 0.380 nan 8.290 nan 0.000 0.429 148 L N 2.544 123.898 121.223 0.217 0.000 2.341 148 L HA 0.859 5.199 4.340 0.000 0.000 0.267 148 L C 1.280 177.878 176.870 -0.455 0.000 1.022 148 L CA -0.139 54.734 54.840 0.055 0.000 0.844 148 L CB 1.283 43.392 42.059 0.082 0.000 1.436 148 L HN 0.575 nan 8.230 nan 0.000 0.483 149 G N -0.675 107.705 108.800 -0.699 0.000 2.486 149 G HA2 0.306 4.266 3.960 0.000 0.000 0.272 149 G HA3 0.306 4.266 3.960 0.000 0.000 0.272 149 G C -0.564 174.213 174.900 -0.205 0.000 1.426 149 G CA 0.095 44.830 45.100 -0.608 0.000 1.058 149 G HN 0.611 nan 8.290 nan 0.000 0.531 150 S N -0.495 115.040 115.700 -0.274 0.000 2.654 150 S HA 0.525 4.995 4.470 0.000 0.000 0.283 150 S C -1.097 173.160 174.600 -0.572 0.000 1.180 150 S CA -1.275 56.504 58.200 -0.702 0.000 1.021 150 S CB 1.988 64.697 63.200 -0.819 0.000 1.018 150 S HN 0.295 nan 8.310 nan 0.000 0.532 151 P HA 0.079 nan 4.420 nan 0.000 0.215 151 P C 0.645 177.764 177.300 -0.301 0.000 1.157 151 P CA 0.976 63.530 63.100 -0.910 0.000 0.869 151 P CB -0.031 31.134 31.700 -0.892 0.000 0.781 152 E N 0.551 120.599 120.200 -0.253 0.000 2.072 152 E HA -0.123 4.228 4.350 0.000 0.000 0.191 152 E C 1.542 178.087 176.600 -0.092 0.000 0.985 152 E CA 0.812 57.133 56.400 -0.133 0.000 0.801 152 E CB -1.092 28.542 29.700 -0.110 0.000 0.750 152 E HN 0.242 nan 8.360 nan 0.000 0.452 153 E N -0.485 119.654 120.200 -0.101 0.000 2.651 153 E HA -0.052 4.298 4.350 0.000 0.000 0.236 153 E C -0.456 176.193 176.600 0.082 0.000 1.422 153 E CA 0.147 56.529 56.400 -0.031 0.000 1.534 153 E CB -0.114 29.560 29.700 -0.045 0.000 1.381 153 E HN 0.403 nan 8.360 nan 0.000 0.435 154 Y N -1.449 118.814 120.300 -0.061 0.000 2.840 154 Y HA 0.086 4.636 4.550 0.000 0.000 0.252 154 Y C 1.737 177.618 175.900 -0.032 0.000 1.150 154 Y CA -0.209 57.916 58.100 0.041 0.000 1.193 154 Y CB 0.178 38.737 38.460 0.165 0.000 1.386 154 Y HN -0.064 nan 8.280 nan 0.000 0.483 155 R N 1.374 121.851 120.500 -0.038 0.000 2.148 155 R HA -0.072 4.268 4.340 0.000 0.000 0.227 155 R C 1.249 177.422 176.300 -0.211 0.000 1.103 155 R CA 1.687 57.583 56.100 -0.339 0.000 0.983 155 R CB 0.008 29.937 30.300 -0.618 0.000 0.874 155 R HN 0.410 nan 8.270 nan 0.000 0.451 156 E N -0.176 119.945 120.200 -0.132 0.000 2.158 156 E HA -0.019 4.331 4.350 0.000 0.000 0.191 156 E C 0.814 177.351 176.600 -0.106 0.000 0.982 156 E CA 0.543 56.882 56.400 -0.102 0.000 0.823 156 E CB 0.016 29.675 29.700 -0.067 0.000 0.766 156 E HN 0.073 nan 8.360 nan 0.000 0.468 157 L N 0.262 121.417 121.223 -0.114 0.000 2.672 157 L HA 0.163 4.503 4.340 0.000 0.000 0.236 157 L C 0.035 176.791 176.870 -0.190 0.000 1.186 157 L CA 0.035 54.805 54.840 -0.117 0.000 0.977 157 L CB 0.224 42.238 42.059 -0.075 0.000 1.203 157 L HN -0.087 nan 8.230 nan 0.000 0.448 158 V N 0.500 120.269 119.914 -0.241 0.000 2.488 158 V HA 0.171 4.291 4.120 0.000 0.000 0.277 158 V C 0.105 176.048 176.094 -0.253 0.000 1.046 158 V CA -0.374 61.719 62.300 -0.345 0.000 0.986 158 V CB 1.557 33.141 31.823 -0.398 0.000 0.989 158 V HN -0.054 nan 8.190 nan 0.000 0.475 159 V N 6.958 126.711 119.914 -0.269 0.000 2.284 159 V HA 0.250 4.370 4.120 0.000 0.000 0.260 159 V C 0.598 176.577 176.094 -0.192 0.000 1.084 159 V CA 0.007 62.193 62.300 -0.191 0.000 0.894 159 V CB 0.816 32.545 31.823 -0.157 0.000 1.119 159 V HN 0.908 nan 8.190 nan 0.000 0.484 160 S N 6.395 121.999 115.700 -0.161 0.000 2.448 160 S HA 0.581 5.051 4.470 0.000 0.000 0.279 160 S C -0.530 173.936 174.600 -0.224 0.000 1.195 160 S CA -0.402 57.701 58.200 -0.161 0.000 1.051 160 S CB 0.029 63.177 63.200 -0.087 0.000 0.948 160 S HN 0.574 nan 8.310 nan 0.000 0.493 161 L N 5.904 126.948 121.223 -0.298 0.000 2.322 161 L HA 0.696 5.036 4.340 0.000 0.000 0.281 161 L C 0.550 177.188 176.870 -0.386 0.000 1.014 161 L CA -0.654 54.028 54.840 -0.263 0.000 0.815 161 L CB 1.436 43.398 42.059 -0.163 0.000 1.247 161 L HN 0.571 nan 8.230 nan 0.000 0.421 162 R N 1.047 121.389 120.500 -0.263 0.000 2.781 162 R HA 0.580 4.921 4.340 0.000 0.000 0.269 162 R C -1.303 174.935 176.300 -0.104 0.000 1.025 162 R CA -0.695 55.279 56.100 -0.210 0.000 0.914 162 R CB 2.547 32.727 30.300 -0.201 0.000 1.236 162 R HN 0.386 nan 8.270 nan 0.000 0.465 163 V N -0.658 119.219 119.914 -0.062 0.000 2.732 163 V HA 0.633 4.753 4.120 0.000 0.000 0.297 163 V C 1.058 177.133 176.094 -0.031 0.000 1.060 163 V CA 0.755 63.033 62.300 -0.037 0.000 1.038 163 V CB 0.886 32.698 31.823 -0.019 0.000 1.003 163 V HN 1.045 nan 8.190 nan 0.000 0.481 164 G N 3.013 111.798 108.800 -0.026 0.000 2.299 164 G HA2 -0.253 3.707 3.960 0.000 0.000 0.237 164 G HA3 -0.253 3.707 3.960 0.000 0.000 0.237 164 G C 0.215 175.100 174.900 -0.025 0.000 1.027 164 G CA 0.379 45.466 45.100 -0.021 0.000 0.619 164 G HN 1.552 nan 8.290 nan 0.000 0.513 165 M N 0.839 120.418 119.600 -0.035 0.000 2.250 165 M HA 0.771 5.251 4.480 0.000 0.000 0.344 165 M C -0.487 175.791 176.300 -0.037 0.000 1.150 165 M CA -0.242 55.035 55.300 -0.038 0.000 1.147 165 M CB 0.767 33.336 32.600 -0.051 0.000 1.498 165 M HN 0.110 nan 8.290 nan 0.000 0.461 166 E N 4.213 124.393 120.200 -0.032 0.000 2.151 166 E HA 0.749 5.099 4.350 0.000 0.000 0.275 166 E C -1.132 175.449 176.600 -0.032 0.000 0.936 166 E CA -0.401 55.982 56.400 -0.029 0.000 0.777 166 E CB 1.360 31.046 29.700 -0.023 0.000 1.108 166 E HN 0.709 nan 8.360 nan 0.000 0.401 167 I N 0.530 121.081 120.570 -0.033 0.000 2.644 167 I HA 0.315 4.486 4.170 0.000 0.000 0.291 167 I C 0.014 176.114 176.117 -0.029 0.000 1.180 167 I CA -1.394 59.886 61.300 -0.034 0.000 1.040 167 I CB 2.000 39.975 38.000 -0.042 0.000 1.255 167 I HN 0.338 nan 8.210 nan 0.000 0.422 168 E N 2.950 123.134 120.200 -0.027 0.000 2.492 168 E HA -0.085 4.266 4.350 0.000 0.000 0.266 168 E C 0.997 177.583 176.600 -0.024 0.000 1.187 168 E CA 0.511 56.898 56.400 -0.023 0.000 1.036 168 E CB 0.542 30.229 29.700 -0.022 0.000 0.994 168 E HN 0.666 nan 8.360 nan 0.000 0.468 169 R N 0.840 121.328 120.500 -0.021 0.000 2.317 169 R HA 0.189 4.529 4.340 0.000 0.000 0.208 169 R C 0.370 176.659 176.300 -0.019 0.000 0.914 169 R CA 0.765 56.854 56.100 -0.019 0.000 1.060 169 R CB 0.214 30.504 30.300 -0.017 0.000 1.015 169 R HN 0.277 nan 8.270 nan 0.000 0.498 170 N N -0.337 118.351 118.700 -0.020 0.000 2.145 170 N HA 0.182 4.922 4.740 0.000 0.000 0.219 170 N C 0.570 176.068 175.510 -0.021 0.000 1.266 170 N CA 0.624 53.662 53.050 -0.020 0.000 0.902 170 N CB 1.298 39.774 38.487 -0.019 0.000 1.078 170 N HN 0.288 nan 8.380 nan 0.000 0.513 171 A N 1.222 124.028 122.820 -0.023 0.000 1.850 171 A HA 0.002 4.322 4.320 0.000 0.000 0.212 171 A C 2.121 179.688 177.584 -0.028 0.000 1.208 171 A CA 0.682 52.703 52.037 -0.025 0.000 0.609 171 A CB -0.579 18.404 19.000 -0.027 0.000 0.860 171 A HN 0.161 nan 8.150 nan 0.000 0.448 172 L N 0.067 121.271 121.223 -0.030 0.000 2.083 172 L HA -0.128 4.212 4.340 0.000 0.000 0.209 172 L C 2.234 179.089 176.870 -0.025 0.000 1.083 172 L CA 2.295 57.114 54.840 -0.034 0.000 0.752 172 L CB -0.723 41.313 42.059 -0.038 0.000 0.899 172 L HN 0.409 nan 8.230 nan 0.000 0.433 173 L N -0.476 120.736 121.223 -0.019 0.000 2.081 173 L HA -0.240 4.101 4.340 0.000 0.000 0.212 173 L C 2.567 179.433 176.870 -0.008 0.000 1.080 173 L CA 1.896 56.729 54.840 -0.011 0.000 0.754 173 L CB -0.431 41.620 42.059 -0.015 0.000 0.893 173 L HN 0.277 nan 8.230 nan 0.000 0.433 174 R N -1.225 119.267 120.500 -0.014 0.000 2.112 174 R HA 0.099 4.439 4.340 0.000 0.000 0.216 174 R C 2.314 178.608 176.300 -0.010 0.000 1.080 174 R CA 0.414 56.507 56.100 -0.012 0.000 0.996 174 R CB -0.092 30.197 30.300 -0.019 0.000 0.902 174 R HN 0.299 nan 8.270 nan 0.000 0.449 175 R N 0.617 121.106 120.500 -0.019 0.000 2.159 175 R HA -0.110 4.230 4.340 0.000 0.000 0.237 175 R C 1.949 178.237 176.300 -0.020 0.000 1.131 175 R CA 0.860 56.944 56.100 -0.027 0.000 0.982 175 R CB -0.239 30.035 30.300 -0.042 0.000 0.868 175 R HN 0.221 nan 8.270 nan 0.000 0.453 176 L N 0.466 121.686 121.223 -0.005 0.000 2.095 176 L HA -0.085 4.255 4.340 0.000 0.000 0.204 176 L C 2.298 179.212 176.870 0.074 0.000 1.080 176 L CA 1.330 56.181 54.840 0.019 0.000 0.759 176 L CB -0.569 41.504 42.059 0.023 0.000 0.914 176 L HN -0.024 nan 8.230 nan 0.000 0.439 177 V N -1.834 118.126 119.914 0.076 0.000 2.719 177 V HA -0.124 3.996 4.120 0.000 0.000 0.252 177 V C 2.070 178.235 176.094 0.119 0.000 1.065 177 V CA 0.880 63.257 62.300 0.128 0.000 1.086 177 V CB -0.624 31.229 31.823 0.051 0.000 0.700 177 V HN 0.236 nan 8.190 nan 0.000 0.467 178 D N 1.748 122.183 120.400 0.057 0.000 2.133 178 D HA -0.143 4.497 4.640 0.000 0.000 0.195 178 D C 1.532 177.868 176.300 0.060 0.000 0.997 178 D CA 1.859 55.880 54.000 0.035 0.000 0.840 178 D CB -0.273 40.530 40.800 0.004 0.000 0.947 178 D HN 0.707 nan 8.370 nan 0.000 0.452 179 I N -2.876 117.734 120.570 0.066 0.000 3.585 179 I HA 0.314 4.484 4.170 0.000 0.000 0.325 179 I C 0.525 176.714 176.117 0.120 0.000 1.370 179 I CA -0.116 61.226 61.300 0.070 0.000 1.298 179 I CB -1.001 37.002 38.000 0.005 0.000 1.387 179 I HN -0.080 nan 8.210 nan 0.000 0.466 180 Q N 1.994 121.932 119.800 0.231 0.000 2.423 180 Q HA -0.269 4.071 4.340 0.000 0.000 0.332 180 Q C 0.299 176.350 176.000 0.085 0.000 1.355 180 Q CA 1.437 57.440 55.803 0.332 0.000 0.947 180 Q CB -3.223 25.725 28.738 0.350 0.000 1.189 180 Q HN 1.405 nan 8.270 nan 0.000 0.418 181 Y N -3.996 116.344 120.300 0.066 0.000 3.007 181 Y HA -0.008 4.542 4.550 0.000 0.000 0.395 181 Y C 0.836 176.729 175.900 -0.012 0.000 1.027 181 Y CA 1.562 59.674 58.100 0.019 0.000 1.513 181 Y CB -0.765 37.711 38.460 0.026 0.000 0.961 181 Y HN 0.879 nan 8.280 nan 0.000 0.549 182 D N 3.575 123.882 120.400 -0.155 0.000 2.269 182 D HA 0.316 4.956 4.640 0.000 0.000 0.220 182 D C 1.409 177.629 176.300 -0.132 0.000 0.962 182 D CA 1.006 54.869 54.000 -0.228 0.000 0.884 182 D CB -0.087 40.623 40.800 -0.150 0.000 1.023 182 D HN 1.137 nan 8.370 nan 0.000 0.484 183 R N -0.916 119.588 120.500 0.006 0.000 2.687 183 R HA 0.650 4.990 4.340 0.000 0.000 0.264 183 R C 0.027 176.393 176.300 0.111 0.000 1.715 183 R CA 0.549 56.683 56.100 0.057 0.000 1.633 183 R CB -1.074 29.236 30.300 0.017 0.000 1.353 183 R HN 0.808 nan 8.270 nan 0.000 0.653 184 N N -1.191 117.649 118.700 0.234 0.000 2.184 184 N HA 0.413 5.153 4.740 0.000 0.000 0.234 184 N C 0.282 175.841 175.510 0.082 0.000 1.282 184 N CA 0.837 53.983 53.050 0.161 0.000 0.877 184 N CB 0.581 39.179 38.487 0.185 0.000 1.184 184 N HN 1.000 nan 8.380 nan 0.000 0.510 185 D N -1.126 119.360 120.400 0.143 0.000 2.727 185 D HA 0.870 5.510 4.640 0.000 0.000 0.264 185 D C 0.970 177.302 176.300 0.052 0.000 1.101 185 D CA 0.073 54.107 54.000 0.056 0.000 1.122 185 D CB 0.089 40.967 40.800 0.129 0.000 1.390 185 D HN 0.855 nan 8.370 nan 0.000 0.606 189 R N -0.640 119.867 120.500 0.010 0.000 3.214 189 R HA 0.540 4.880 4.340 0.000 0.000 0.283 189 R C 1.044 177.348 176.300 0.007 0.000 0.945 189 R CA 0.124 56.228 56.100 0.007 0.000 0.817 189 R CB -0.583 29.721 30.300 0.008 0.000 1.393 189 R HN 1.848 nan 8.270 nan 0.000 0.523 190 G N -0.384 108.419 108.800 0.004 0.000 2.708 190 G HA2 0.410 4.370 3.960 0.000 0.000 0.210 190 G HA3 0.410 4.370 3.960 0.000 0.000 0.210 190 G C 1.569 176.473 174.900 0.007 0.000 1.141 190 G CA 2.821 47.921 45.100 0.001 0.000 0.788 190 G HN 2.574 nan 8.290 nan 0.000 0.531 191 T N -1.366 113.197 114.554 0.015 0.000 13.322 191 T HA -0.286 4.064 4.350 0.000 0.000 0.419 191 T C 1.749 176.459 174.700 0.017 0.000 1.441 191 T CA 3.216 65.330 62.100 0.024 0.000 2.359 191 T CB -1.593 67.301 68.868 0.043 0.000 2.804 191 T HN 1.451 nan 8.240 nan 0.000 0.600 192 F N 1.807 121.766 119.950 0.014 0.000 2.724 192 F HA 0.753 5.280 4.527 0.000 0.000 0.310 192 F C 1.332 177.134 175.800 0.002 0.000 1.107 192 F CA 1.084 59.089 58.000 0.008 0.000 1.218 192 F CB -0.482 38.524 39.000 0.010 0.000 1.042 192 F HN 1.357 nan 8.300 nan 0.000 0.540 193 R N 0.929 121.430 120.500 0.001 0.000 2.234 193 R HA 0.865 5.205 4.340 0.000 0.000 0.324 193 R C -0.382 175.916 176.300 -0.003 0.000 1.054 193 R CA 0.379 56.477 56.100 -0.004 0.000 0.912 193 R CB -0.247 30.049 30.300 -0.006 0.000 1.030 193 R HN 2.297 nan 8.270 nan 0.000 0.455 194 V N -2.173 117.738 119.914 -0.005 0.000 3.143 194 V HA 0.739 4.859 4.120 0.000 0.000 0.264 194 V C 0.919 177.009 176.094 -0.006 0.000 1.874 194 V CA 0.368 62.665 62.300 -0.005 0.000 0.968 194 V CB 0.243 32.065 31.823 -0.003 0.000 1.351 194 V HN 2.234 nan 8.190 nan 0.000 0.459 195 R N 0.578 121.075 120.500 -0.006 0.000 2.921 195 R HA 0.364 4.704 4.340 0.000 0.000 0.193 195 R C 1.856 178.151 176.300 -0.008 0.000 0.860 195 R CA 3.924 60.020 56.100 -0.007 0.000 1.474 195 R CB -2.167 28.130 30.300 -0.006 0.000 0.643 195 R HN 3.630 nan 8.270 nan 0.000 0.634 196 G N -1.071 107.723 108.800 -0.009 0.000 2.741 196 G HA2 0.412 4.373 3.960 0.000 0.000 0.222 196 G HA3 0.412 4.373 3.960 0.000 0.000 0.222 196 G C 0.515 175.408 174.900 -0.011 0.000 1.364 196 G CA 2.323 47.417 45.100 -0.011 0.000 0.866 196 G HN 3.446 nan 8.290 nan 0.000 0.555 197 D N -3.858 116.535 120.400 -0.011 0.000 4.196 197 D HA 0.352 4.992 4.640 0.000 0.000 0.165 197 D C 2.092 178.385 176.300 -0.013 0.000 1.013 197 D CA 2.407 56.400 54.000 -0.011 0.000 1.036 197 D CB -1.377 39.417 40.800 -0.010 0.000 0.604 197 D HN 2.425 nan 8.370 nan 0.000 0.660 198 V N -0.663 119.244 119.914 -0.012 0.000 3.039 198 V HA 0.790 4.910 4.120 0.000 0.000 0.369 198 V C 1.109 177.195 176.094 -0.013 0.000 1.344 198 V CA 1.720 64.012 62.300 -0.013 0.000 1.270 198 V CB -0.065 31.751 31.823 -0.013 0.000 1.284 198 V HN 2.513 nan 8.190 nan 0.000 0.518 199 V N -0.951 118.955 119.914 -0.013 0.000 3.063 199 V HA 0.744 4.864 4.120 0.000 0.000 0.249 199 V C -0.578 175.510 176.094 -0.011 0.000 0.908 199 V CA 0.353 62.645 62.300 -0.012 0.000 0.966 199 V CB 0.122 31.939 31.823 -0.010 0.000 1.015 199 V HN 0.735 nan 8.190 nan 0.000 0.512 200 E N 1.454 121.646 120.200 -0.013 0.000 2.284 200 E HA 0.951 5.301 4.350 0.000 0.000 0.255 200 E C 0.965 177.559 176.600 -0.010 0.000 1.052 200 E CA 0.613 57.006 56.400 -0.012 0.000 0.904 200 E CB 1.839 31.531 29.700 -0.013 0.000 1.217 200 E HN 2.160 nan 8.360 nan 0.000 0.438 201 I N -1.741 118.824 120.570 -0.008 0.000 2.490 201 I HA 0.481 4.651 4.170 0.000 0.000 0.234 201 I C 2.268 178.380 176.117 -0.007 0.000 1.066 201 I CA 1.785 63.081 61.300 -0.006 0.000 1.405 201 I CB -1.425 36.572 38.000 -0.004 0.000 1.191 201 I HN 2.331 nan 8.210 nan 0.000 0.433 202 F N -1.384 118.562 119.950 -0.006 0.000 2.184 202 F HA 0.301 4.828 4.527 0.000 0.000 0.319 202 F C -1.308 174.490 175.800 -0.003 0.000 1.088 202 F CA 0.003 58.000 58.000 -0.006 0.000 1.118 202 F CB -2.516 36.478 39.000 -0.011 0.000 1.600 202 F HN 1.162 nan 8.300 nan 0.000 0.769 203 P HA 0.836 nan 4.420 nan 0.000 0.213 203 P C 0.084 177.388 177.300 0.007 0.000 1.840 203 P CA 0.678 63.780 63.100 0.004 0.000 1.192 203 P CB 0.585 32.288 31.700 0.006 0.000 1.717 204 A N 2.347 125.169 122.820 0.003 0.000 2.993 204 A HA 0.498 4.818 4.320 0.000 0.000 0.281 204 A C 1.657 179.244 177.584 0.004 0.000 1.847 204 A CA 1.080 53.120 52.037 0.003 0.000 1.470 204 A CB -1.201 17.796 19.000 -0.006 0.000 1.028 204 A HN 0.578 nan 8.150 nan 0.000 0.604 205 S N 1.956 117.660 115.700 0.007 0.000 2.320 205 S HA 0.073 4.543 4.470 0.000 0.000 0.180 205 S C 1.440 176.038 174.600 -0.002 0.000 1.145 205 S CA 0.528 58.732 58.200 0.006 0.000 1.444 205 S CB -0.334 62.871 63.200 0.009 0.000 0.843 205 S HN 0.671 nan 8.310 nan 0.000 0.406 206 R N 3.099 123.593 120.500 -0.011 0.000 3.072 206 R HA -0.036 4.305 4.340 0.000 0.000 0.220 206 R C -1.113 175.152 176.300 -0.059 0.000 1.627 206 R CA 0.316 56.398 56.100 -0.031 0.000 1.079 206 R CB -1.157 29.117 30.300 -0.043 0.000 1.217 206 R HN 0.610 nan 8.270 nan 0.000 0.615 207 D N 2.156 122.531 120.400 -0.041 0.000 2.540 207 D HA 0.011 4.651 4.640 0.000 0.000 0.251 207 D C 0.524 176.789 176.300 -0.059 0.000 1.159 207 D CA -0.515 53.449 54.000 -0.059 0.000 0.974 207 D CB 1.156 41.946 40.800 -0.016 0.000 0.996 207 D HN 0.245 nan 8.370 nan 0.000 0.512 208 E N 0.620 120.748 120.200 -0.119 0.000 2.559 208 E HA -0.392 3.958 4.350 0.000 0.000 0.252 208 E C 1.683 178.291 176.600 0.014 0.000 1.177 208 E CA 2.570 58.911 56.400 -0.100 0.000 1.084 208 E CB -1.112 28.419 29.700 -0.282 0.000 0.904 208 E HN 0.826 nan 8.360 nan 0.000 0.442 209 H N -2.549 116.556 119.070 0.059 0.000 2.602 209 H HA 0.351 4.907 4.556 0.000 0.000 0.285 209 H C 1.356 176.752 175.328 0.114 0.000 1.093 209 H CA 1.279 57.412 56.048 0.142 0.000 1.201 209 H CB -1.081 28.797 29.762 0.194 0.000 1.294 209 H HN 0.660 nan 8.280 nan 0.000 0.633 210 C N -1.113 118.236 119.300 0.083 0.000 3.799 210 C HA 0.501 4.962 4.460 0.000 0.000 0.387 210 C C 1.967 176.988 174.990 0.051 0.000 2.703 210 C CA 0.212 59.274 59.018 0.073 0.000 1.465 210 C CB -1.119 26.665 27.740 0.074 0.000 2.293 210 C HN 1.076 nan 8.230 nan 0.000 0.469 211 I N -0.179 120.416 120.570 0.042 0.000 3.454 211 I HA 0.561 4.731 4.170 0.000 0.000 0.297 211 I C 1.369 177.507 176.117 0.035 0.000 1.298 211 I CA 1.823 63.140 61.300 0.027 0.000 1.297 211 I CB -1.648 36.363 38.000 0.019 0.000 1.017 211 I HN 1.097 nan 8.210 nan 0.000 0.528 212 R N 0.563 121.090 120.500 0.045 0.000 3.785 212 R HA 0.741 5.081 4.340 0.000 0.000 0.255 212 R C 0.705 177.028 176.300 0.038 0.000 1.485 212 R CA 0.267 56.394 56.100 0.045 0.000 1.555 212 R CB -1.363 28.971 30.300 0.057 0.000 1.362 212 R HN 2.230 nan 8.270 nan 0.000 0.702 213 V N -0.579 119.353 119.914 0.030 0.000 5.580 213 V HA 0.005 4.126 4.120 0.000 0.000 0.301 213 V C 0.795 176.907 176.094 0.030 0.000 0.703 213 V CA 2.739 65.054 62.300 0.026 0.000 1.110 213 V CB -1.963 29.874 31.823 0.023 0.000 1.297 213 V HN 1.125 nan 8.190 nan 0.000 0.440 214 E N 3.807 124.024 120.200 0.030 0.000 3.441 214 E HA 0.801 5.151 4.350 0.000 0.000 0.195 214 E C 1.893 178.509 176.600 0.027 0.000 1.172 214 E CA 1.487 57.907 56.400 0.033 0.000 1.457 214 E CB -0.158 29.567 29.700 0.043 0.000 1.388 214 E HN 2.714 nan 8.360 nan 0.000 0.551 215 F N -0.299 119.665 119.950 0.024 0.000 2.027 215 F HA 0.285 4.812 4.527 0.000 0.000 0.298 215 F C 0.399 176.210 175.800 0.019 0.000 1.074 215 F CA -0.181 57.830 58.000 0.018 0.000 1.029 215 F CB -2.439 36.570 39.000 0.015 0.000 1.539 215 F HN 1.466 nan 8.300 nan 0.000 0.746 216 F N 3.342 123.303 119.950 0.017 0.000 2.424 216 F HA 0.777 5.304 4.527 0.000 0.000 0.356 216 F C 0.629 176.433 175.800 0.006 0.000 1.110 216 F CA -0.909 57.100 58.000 0.015 0.000 1.161 216 F CB 1.284 40.293 39.000 0.015 0.000 1.115 216 F HN 2.137 nan 8.300 nan 0.000 0.507 217 G N 1.426 110.229 108.800 0.005 0.000 2.437 217 G HA2 0.555 4.515 3.960 0.000 0.000 0.315 217 G HA3 0.555 4.515 3.960 0.000 0.000 0.315 217 G C -0.772 174.125 174.900 -0.004 0.000 1.210 217 G CA 0.436 45.536 45.100 0.001 0.000 0.943 217 G HN 1.260 nan 8.290 nan 0.000 0.471 218 D N 0.498 120.892 120.400 -0.011 0.000 2.408 218 D HA 0.664 5.305 4.640 0.000 0.000 0.243 218 D C 0.018 176.308 176.300 -0.017 0.000 1.075 218 D CA -0.119 53.871 54.000 -0.017 0.000 0.832 218 D CB 1.157 41.940 40.800 -0.029 0.000 1.162 218 D HN 0.842 nan 8.370 nan 0.000 0.515 219 E N 0.472 120.663 120.200 -0.015 0.000 2.261 219 E HA 0.683 5.033 4.350 0.000 0.000 0.239 219 E C 1.159 177.748 176.600 -0.017 0.000 0.991 219 E CA -0.075 56.317 56.400 -0.014 0.000 0.847 219 E CB -0.584 29.110 29.700 -0.010 0.000 1.223 219 E HN 2.333 nan 8.360 nan 0.000 0.446 220 I N -0.053 120.504 120.570 -0.021 0.000 3.588 220 I HA 0.202 4.372 4.170 0.000 0.000 0.126 220 I C 0.952 177.054 176.117 -0.025 0.000 0.989 220 I CA 1.860 63.146 61.300 -0.024 0.000 2.745 220 I CB -2.491 35.497 38.000 -0.020 0.000 1.196 220 I HN 2.153 nan 8.210 nan 0.000 0.343 226 E N 0.815 121.007 120.200 -0.013 0.000 2.301 226 E HA 0.680 5.030 4.350 0.000 0.000 0.275 226 E C -0.157 176.445 176.600 0.003 0.000 1.030 226 E CA -0.352 56.042 56.400 -0.009 0.000 0.852 226 E CB 2.007 31.697 29.700 -0.017 0.000 1.060 226 E HN 1.289 nan 8.360 nan 0.000 0.401 227 V N -1.378 118.540 119.914 0.007 0.000 3.000 227 V HA 0.376 4.496 4.120 0.000 0.000 0.300 227 V C -0.793 175.311 176.094 0.016 0.000 1.251 227 V CA -1.268 61.040 62.300 0.013 0.000 0.972 227 V CB 1.587 33.416 31.823 0.011 0.000 1.065 227 V HN 0.531 nan 8.190 nan 0.000 0.431 228 D N 1.689 122.102 120.400 0.022 0.000 2.400 228 D HA 0.695 5.335 4.640 0.000 0.000 0.238 228 D C 0.533 176.845 176.300 0.019 0.000 1.157 228 D CA 1.343 55.357 54.000 0.024 0.000 0.889 228 D CB 1.660 42.478 40.800 0.030 0.000 1.199 228 D HN 1.141 nan 8.370 nan 0.000 0.436 229 A N 0.996 123.827 122.820 0.019 0.000 3.421 229 A HA 0.834 5.154 4.320 0.000 0.000 0.174 229 A C -0.970 176.625 177.584 0.017 0.000 0.804 229 A CA -0.203 51.843 52.037 0.016 0.000 1.121 229 A CB 0.175 19.182 19.000 0.013 0.000 1.911 229 A HN 0.481 nan 8.150 nan 0.000 0.759 230 L N -4.041 117.192 121.223 0.015 0.000 2.827 230 L HA 0.280 4.621 4.340 0.000 0.000 0.315 230 L C 0.155 177.034 176.870 0.013 0.000 0.769 230 L CA 0.433 55.282 54.840 0.016 0.000 1.120 230 L CB 0.451 42.520 42.059 0.016 0.000 1.712 230 L HN 0.603 nan 8.230 nan 0.000 0.343 231 T N -0.515 114.047 114.554 0.013 0.000 3.086 231 T HA 0.354 4.704 4.350 0.000 0.000 0.250 231 T C 0.453 175.159 174.700 0.010 0.000 1.074 231 T CA 0.557 62.663 62.100 0.011 0.000 0.988 231 T CB 0.241 69.115 68.868 0.011 0.000 0.988 231 T HN 0.683 nan 8.240 nan 0.000 0.530 232 G N 1.281 110.087 108.800 0.010 0.000 2.446 232 G HA2 0.519 4.479 3.960 0.000 0.000 0.202 232 G HA3 0.519 4.479 3.960 0.000 0.000 0.202 232 G C -0.240 174.665 174.900 0.009 0.000 1.842 232 G CA -0.379 44.726 45.100 0.009 0.000 0.703 232 G HN 0.317 nan 8.290 nan 0.000 0.731 233 K N -0.903 119.503 120.400 0.010 0.000 2.318 233 K HA 0.602 4.923 4.320 0.000 0.000 0.265 233 K C -0.841 175.765 176.600 0.011 0.000 1.055 233 K CA -0.847 55.445 56.287 0.009 0.000 0.896 233 K CB 2.127 34.632 32.500 0.008 0.000 1.479 233 K HN 0.102 nan 8.250 nan 0.000 0.449 234 V N 1.414 121.334 119.914 0.010 0.000 3.287 234 V HA 0.182 4.302 4.120 0.000 0.000 0.306 234 V C -0.295 175.806 176.094 0.012 0.000 1.103 234 V CA 0.245 62.552 62.300 0.011 0.000 1.159 234 V CB -0.290 31.538 31.823 0.009 0.000 1.036 234 V HN 0.664 nan 8.190 nan 0.000 0.487 235 L N 0.057 121.288 121.223 0.014 0.000 3.206 235 L HA 0.676 5.017 4.340 0.000 0.000 0.260 235 L C -0.336 176.544 176.870 0.017 0.000 0.959 235 L CA -0.258 54.591 54.840 0.015 0.000 1.061 235 L CB 0.746 42.815 42.059 0.017 0.000 1.760 235 L HN 1.184 nan 8.230 nan 0.000 0.495 236 G N 1.010 109.820 108.800 0.016 0.000 2.675 236 G HA2 -0.031 3.930 3.960 0.000 0.000 0.196 236 G HA3 -0.031 3.930 3.960 0.000 0.000 0.196 236 G C -0.441 174.471 174.900 0.020 0.000 0.679 236 G CA -0.199 44.912 45.100 0.019 0.000 0.886 236 G HN 0.807 nan 8.290 nan 0.000 0.320 237 E N 1.623 121.834 120.200 0.018 0.000 2.229 237 E HA 0.440 4.790 4.350 0.000 0.000 0.283 237 E C 1.036 177.650 176.600 0.024 0.000 1.030 237 E CA -0.162 56.249 56.400 0.018 0.000 0.836 237 E CB 0.718 30.426 29.700 0.014 0.000 1.068 237 E HN 0.539 nan 8.360 nan 0.000 0.401 238 R N 2.230 122.746 120.500 0.027 0.000 2.664 238 R HA 0.176 4.517 4.340 0.000 0.000 0.286 238 R C 0.950 177.271 176.300 0.036 0.000 0.967 238 R CA -0.482 55.641 56.100 0.038 0.000 0.933 238 R CB 1.213 31.542 30.300 0.049 0.000 1.146 238 R HN 0.542 nan 8.270 nan 0.000 0.468 239 E N 1.083 121.314 120.200 0.052 0.000 2.307 239 E HA -0.047 4.303 4.350 0.000 0.000 0.195 239 E C -0.098 176.547 176.600 0.074 0.000 0.975 239 E CA 0.816 57.247 56.400 0.051 0.000 0.878 239 E CB 0.261 29.994 29.700 0.056 0.000 0.845 239 E HN 0.640 nan 8.360 nan 0.000 0.488 240 H N -0.449 118.622 119.070 0.002 0.000 2.759 240 H HA 0.588 5.144 4.556 0.000 0.000 0.354 240 H C -1.891 173.437 175.328 0.001 0.000 1.074 240 H CA -0.800 55.246 56.048 -0.002 0.000 1.226 240 H CB 2.140 31.903 29.762 0.001 0.000 1.648 240 H HN -0.019 nan 8.280 nan 0.000 0.529 241 V N 3.737 123.717 119.914 0.109 0.000 2.925 241 V HA 0.848 4.968 4.120 0.000 0.000 0.311 241 V C -1.324 174.820 176.094 0.083 0.000 1.104 241 V CA -0.088 62.292 62.300 0.132 0.000 0.954 241 V CB 1.771 33.614 31.823 0.033 0.000 1.022 241 V HN 0.950 nan 8.190 nan 0.000 0.427 242 A N 6.793 129.657 122.820 0.074 0.000 2.353 242 A HA 0.807 5.127 4.320 0.000 0.000 0.299 242 A C -1.089 176.356 177.584 -0.231 0.000 1.089 242 A CA -0.544 51.438 52.037 -0.092 0.000 0.736 242 A CB 0.857 19.812 19.000 -0.074 0.000 1.195 242 A HN 0.619 nan 8.150 nan 0.000 0.447 243 I N 1.697 122.084 120.570 -0.305 0.000 2.440 243 I HA 0.446 4.616 4.170 0.000 0.000 0.294 243 I C -0.527 175.285 176.117 -0.508 0.000 0.995 243 I CA -0.706 60.442 61.300 -0.253 0.000 1.306 243 I CB 0.423 38.336 38.000 -0.146 0.000 1.407 243 I HN 0.506 nan 8.210 nan 0.000 0.501 244 F N 4.771 124.669 119.950 -0.087 0.000 2.480 244 F HA 0.436 4.963 4.527 0.000 0.000 0.329 244 F C -1.808 173.880 175.800 -0.187 0.000 1.091 244 F CA -2.189 55.704 58.000 -0.178 0.000 0.972 244 F CB 1.089 40.049 39.000 -0.066 0.000 1.150 244 F HN 0.262 nan 8.300 nan 0.000 0.467 245 P HA -0.069 nan 4.420 nan 0.000 0.255 245 P C 0.251 177.557 177.300 0.009 0.000 1.173 245 P CA 0.381 63.453 63.100 -0.046 0.000 0.780 245 P CB 0.329 32.002 31.700 -0.044 0.000 0.758 246 A N 2.670 125.435 122.820 -0.091 0.000 2.255 246 A HA -0.121 4.199 4.320 0.000 0.000 0.218 246 A C 1.220 178.738 177.584 -0.110 0.000 1.175 246 A CA 1.412 53.297 52.037 -0.253 0.000 0.682 246 A CB -0.345 18.507 19.000 -0.247 0.000 0.784 246 A HN 0.521 nan 8.150 nan 0.000 0.482 247 S N -3.369 112.400 115.700 0.115 0.000 2.568 247 S HA 0.557 5.027 4.470 0.000 0.000 0.293 247 S C 0.350 175.120 174.600 0.283 0.000 1.089 247 S CA -0.587 57.746 58.200 0.221 0.000 0.945 247 S CB 0.914 64.260 63.200 0.243 0.000 1.077 247 S HN 0.458 nan 8.310 nan 0.000 0.485 248 H N 1.544 120.918 119.070 0.507 0.000 2.525 248 H HA 0.270 4.826 4.556 0.000 0.000 0.275 248 H C -0.150 175.403 175.328 0.375 0.000 0.984 248 H CA 0.808 57.115 56.048 0.432 0.000 1.264 248 H CB 0.190 30.116 29.762 0.272 0.000 1.432 248 H HN 0.438 nan 8.280 nan 0.000 0.549 249 F N 1.287 121.432 119.950 0.325 0.000 2.983 249 F HA 0.176 4.703 4.527 0.000 0.000 0.307 249 F C -0.042 175.899 175.800 0.236 0.000 1.218 249 F CA -0.840 57.322 58.000 0.270 0.000 1.323 249 F CB 0.054 39.203 39.000 0.248 0.000 0.989 249 F HN -0.148 nan 8.300 nan 0.000 0.509 250 V N -0.727 119.394 119.914 0.345 0.000 2.455 250 V HA 0.438 4.559 4.120 0.000 0.000 0.273 250 V C 0.364 176.560 176.094 0.170 0.000 1.045 250 V CA -0.446 62.005 62.300 0.251 0.000 0.976 250 V CB 0.336 32.283 31.823 0.206 0.000 0.993 250 V HN 0.253 nan 8.190 nan 0.000 0.475 251 T N 4.910 119.544 114.554 0.134 0.000 2.823 251 T HA 0.527 4.877 4.350 0.000 0.000 0.279 251 T C 0.153 174.877 174.700 0.040 0.000 0.998 251 T CA -0.742 61.409 62.100 0.085 0.000 0.994 251 T CB 1.159 70.082 68.868 0.091 0.000 0.960 251 T HN 0.719 nan 8.240 nan 0.000 0.448 252 R N 1.776 122.292 120.500 0.027 0.000 2.623 252 R HA 0.061 4.402 4.340 0.000 0.000 0.271 252 R C 1.737 178.033 176.300 -0.006 0.000 1.043 252 R CA -0.293 55.810 56.100 0.005 0.000 1.083 252 R CB 0.529 30.829 30.300 0.001 0.000 0.974 252 R HN 0.835 nan 8.270 nan 0.000 0.436 253 E N 2.405 122.591 120.200 -0.022 0.000 2.108 253 E HA -0.340 4.010 4.350 0.000 0.000 0.203 253 E C 0.867 177.453 176.600 -0.023 0.000 1.022 253 E CA 1.597 57.977 56.400 -0.033 0.000 0.823 253 E CB 0.213 29.889 29.700 -0.039 0.000 0.744 253 E HN 0.503 nan 8.360 nan 0.000 0.456 254 E N 0.598 120.789 120.200 -0.015 0.000 2.085 254 E HA -0.165 4.185 4.350 0.000 0.000 0.194 254 E C 2.022 178.621 176.600 -0.002 0.000 0.994 254 E CA 1.146 57.540 56.400 -0.010 0.000 0.801 254 E CB -0.136 29.559 29.700 -0.007 0.000 0.743 254 E HN 0.355 nan 8.360 nan 0.000 0.453 255 K N -0.074 120.330 120.400 0.007 0.000 2.103 255 K HA -0.037 4.283 4.320 0.000 0.000 0.204 255 K C 2.156 178.770 176.600 0.023 0.000 1.052 255 K CA 0.997 57.297 56.287 0.021 0.000 0.945 255 K CB -0.149 32.371 32.500 0.033 0.000 0.722 255 K HN 0.016 nan 8.250 nan 0.000 0.443 256 M N 1.267 120.873 119.600 0.010 0.000 2.159 256 M HA -0.155 4.325 4.480 0.000 0.000 0.263 256 M C 1.829 178.115 176.300 -0.023 0.000 1.063 256 M CA 1.633 56.931 55.300 -0.004 0.000 1.110 256 M CB 0.042 32.626 32.600 -0.026 0.000 1.374 256 M HN -0.068 nan 8.290 nan 0.000 0.411 257 R N -0.619 119.866 120.500 -0.024 0.000 2.096 257 R HA -0.116 4.224 4.340 0.000 0.000 0.235 257 R C 2.080 178.366 176.300 -0.023 0.000 1.127 257 R CA 1.508 57.590 56.100 -0.031 0.000 0.968 257 R CB -0.648 29.636 30.300 -0.027 0.000 0.861 257 R HN 0.366 nan 8.270 nan 0.000 0.440 258 L N 0.302 121.521 121.223 -0.007 0.000 2.095 258 L HA 0.075 4.415 4.340 0.000 0.000 0.204 258 L C 2.147 179.019 176.870 0.003 0.000 1.080 258 L CA 1.628 56.469 54.840 0.002 0.000 0.759 258 L CB -0.612 41.458 42.059 0.018 0.000 0.914 258 L HN 0.085 nan 8.230 nan 0.000 0.439 259 A N 0.048 122.878 122.820 0.017 0.000 1.865 259 A HA -0.226 4.094 4.320 0.000 0.000 0.217 259 A C 2.288 179.833 177.584 -0.064 0.000 1.191 259 A CA 2.220 54.274 52.037 0.028 0.000 0.623 259 A CB -0.971 18.075 19.000 0.078 0.000 0.826 259 A HN 0.466 nan 8.150 nan 0.000 0.444 260 I N -0.589 119.934 120.570 -0.079 0.000 2.145 260 I HA -0.406 3.764 4.170 0.000 0.000 0.244 260 I C 2.892 178.938 176.117 -0.117 0.000 1.075 260 I CA 2.028 63.254 61.300 -0.123 0.000 1.332 260 I CB -0.428 37.508 38.000 -0.106 0.000 1.033 260 I HN 0.485 nan 8.210 nan 0.000 0.410 261 Q N 0.234 119.987 119.800 -0.078 0.000 2.030 261 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 261 Q C 2.133 178.085 176.000 -0.080 0.000 0.986 261 Q CA 1.821 57.586 55.803 -0.063 0.000 0.843 261 Q CB -0.152 28.565 28.738 -0.034 0.000 0.904 261 Q HN 0.481 nan 8.270 nan 0.000 0.420 262 N N 0.519 119.168 118.700 -0.086 0.000 2.069 262 N HA -0.164 4.576 4.740 0.000 0.000 0.191 262 N C 1.826 177.157 175.510 -0.298 0.000 1.031 262 N CA 1.156 54.143 53.050 -0.105 0.000 0.852 262 N CB -0.337 38.143 38.487 -0.011 0.000 1.018 262 N HN 0.243 nan 8.380 nan 0.000 0.423 263 I N 1.603 121.866 120.570 -0.512 0.000 2.087 263 I HA -0.319 3.852 4.170 0.000 0.000 0.240 263 I C 2.146 178.152 176.117 -0.185 0.000 1.054 263 I CA 1.458 62.448 61.300 -0.518 0.000 1.311 263 I CB -0.392 37.398 38.000 -0.349 0.000 1.024 263 I HN 0.202 nan 8.210 nan 0.000 0.402 264 E N 0.215 120.338 120.200 -0.129 0.000 2.086 264 E HA -0.346 4.004 4.350 0.000 0.000 0.200 264 E C 2.162 178.744 176.600 -0.030 0.000 1.012 264 E CA 1.578 57.942 56.400 -0.061 0.000 0.812 264 E CB -0.199 29.467 29.700 -0.056 0.000 0.743 264 E HN 0.464 nan 8.360 nan 0.000 0.453 265 Q N -0.255 119.526 119.800 -0.031 0.000 2.439 265 Q HA -0.182 4.158 4.340 0.000 0.000 0.211 265 Q C 1.717 177.732 176.000 0.024 0.000 0.978 265 Q CA 0.948 56.751 55.803 0.000 0.000 0.897 265 Q CB 0.205 28.948 28.738 0.007 0.000 0.956 265 Q HN 0.230 nan 8.270 nan 0.000 0.483 266 E N -0.928 119.291 120.200 0.031 0.000 2.421 266 E HA -0.046 4.304 4.350 0.000 0.000 0.209 266 E C 1.556 178.200 176.600 0.074 0.000 0.871 266 E CA -0.039 56.406 56.400 0.074 0.000 1.064 266 E CB 0.249 30.037 29.700 0.147 0.000 1.075 266 E HN 0.291 nan 8.360 nan 0.000 0.513 267 L N 1.879 123.137 121.223 0.058 0.000 2.275 267 L HA -0.058 4.282 4.340 0.000 0.000 0.215 267 L C 1.940 178.839 176.870 0.047 0.000 1.119 267 L CA 1.828 56.708 54.840 0.066 0.000 0.790 267 L CB -0.138 41.958 42.059 0.061 0.000 0.919 267 L HN 0.178 nan 8.230 nan 0.000 0.443 268 E N 0.043 120.263 120.200 0.034 0.000 2.033 268 E HA -0.220 4.130 4.350 0.000 0.000 0.194 268 E C 1.884 178.502 176.600 0.031 0.000 0.960 268 E CA 0.709 57.124 56.400 0.026 0.000 0.842 268 E CB -0.526 29.183 29.700 0.016 0.000 0.816 268 E HN 0.612 nan 8.360 nan 0.000 0.468 269 E N 0.242 120.462 120.200 0.033 0.000 2.393 269 E HA -0.238 4.112 4.350 0.000 0.000 0.201 269 E C 2.049 178.672 176.600 0.039 0.000 1.025 269 E CA 0.649 57.070 56.400 0.034 0.000 0.856 269 E CB -0.061 29.662 29.700 0.037 0.000 0.771 269 E HN 0.092 nan 8.360 nan 0.000 0.526 270 R N 0.361 120.889 120.500 0.045 0.000 2.254 270 R HA 0.101 4.441 4.340 0.000 0.000 0.195 270 R C 1.979 178.301 176.300 0.035 0.000 0.957 270 R CA 0.025 56.152 56.100 0.046 0.000 1.024 270 R CB 0.011 30.347 30.300 0.060 0.000 0.952 270 R HN 0.306 nan 8.270 nan 0.000 0.484 271 L N 0.319 121.562 121.223 0.033 0.000 2.217 271 L HA 0.008 4.348 4.340 0.000 0.000 0.211 271 L C 2.129 179.011 176.870 0.019 0.000 1.107 271 L CA 1.402 56.257 54.840 0.025 0.000 0.783 271 L CB -0.866 41.208 42.059 0.026 0.000 0.919 271 L HN 0.098 nan 8.230 nan 0.000 0.442 272 A N -0.827 122.006 122.820 0.021 0.000 1.930 272 A HA -0.173 4.147 4.320 0.000 0.000 0.215 272 A C 2.253 179.847 177.584 0.017 0.000 1.176 272 A CA 1.127 53.174 52.037 0.017 0.000 0.632 272 A CB -0.283 18.729 19.000 0.019 0.000 0.819 272 A HN 0.386 nan 8.150 nan 0.000 0.445 273 E N -0.333 119.879 120.200 0.020 0.000 2.158 273 E HA -0.030 4.320 4.350 0.000 0.000 0.191 273 E C 1.889 178.499 176.600 0.017 0.000 0.982 273 E CA 0.468 56.880 56.400 0.020 0.000 0.823 273 E CB -0.062 29.653 29.700 0.024 0.000 0.766 273 E HN 0.596 nan 8.360 nan 0.000 0.468 274 L N 0.240 121.474 121.223 0.017 0.000 2.131 274 L HA -0.072 4.269 4.340 0.000 0.000 0.206 274 L C 2.725 179.600 176.870 0.007 0.000 1.087 274 L CA 0.542 55.389 54.840 0.012 0.000 0.767 274 L CB -0.066 42.001 42.059 0.012 0.000 0.917 274 L HN 0.032 nan 8.230 nan 0.000 0.441 275 R N -0.242 120.263 120.500 0.009 0.000 2.070 275 R HA -0.155 4.185 4.340 0.000 0.000 0.232 275 R C 2.311 178.614 176.300 0.006 0.000 1.138 275 R CA 1.826 57.930 56.100 0.006 0.000 0.936 275 R CB -0.585 29.720 30.300 0.008 0.000 0.839 275 R HN 0.402 nan 8.270 nan 0.000 0.429 276 A N 0.427 123.251 122.820 0.008 0.000 1.865 276 A HA -0.270 4.051 4.320 0.000 0.000 0.217 276 A C 2.036 179.624 177.584 0.007 0.000 1.191 276 A CA 1.739 53.781 52.037 0.008 0.000 0.623 276 A CB -0.798 18.207 19.000 0.009 0.000 0.826 276 A HN 0.535 nan 8.150 nan 0.000 0.444 277 Q N -0.248 119.556 119.800 0.008 0.000 1.596 277 Q HA 0.078 4.418 4.340 0.000 0.000 0.476 277 Q C 1.443 177.446 176.000 0.005 0.000 0.959 277 Q CA 1.139 56.947 55.803 0.008 0.000 0.901 277 Q CB -0.708 28.036 28.738 0.010 0.000 0.932 277 Q HN 0.532 nan 8.270 nan 0.000 0.389 278 G N 0.026 108.828 108.800 0.003 0.000 2.525 278 G HA2 0.106 4.066 3.960 0.000 0.000 0.276 278 G HA3 0.106 4.066 3.960 0.000 0.000 0.276 278 G C -0.136 174.760 174.900 -0.006 0.000 1.388 278 G CA 0.075 45.174 45.100 -0.002 0.000 1.050 278 G HN 0.445 nan 8.290 nan 0.000 0.520 279 K N -1.219 119.172 120.400 -0.014 0.000 3.017 279 K HA 0.196 4.516 4.320 0.000 0.000 0.178 279 K C -0.508 176.073 176.600 -0.032 0.000 1.103 279 K CA -0.325 55.951 56.287 -0.018 0.000 1.084 279 K CB -0.061 32.431 32.500 -0.013 0.000 0.711 279 K HN 0.187 nan 8.250 nan 0.000 0.416 280 L N 2.764 123.962 121.223 -0.042 0.000 2.415 280 L HA 0.133 4.473 4.340 0.000 0.000 0.269 280 L C 0.688 177.508 176.870 -0.083 0.000 1.244 280 L CA 0.145 54.940 54.840 -0.075 0.000 1.113 280 L CB 0.496 42.504 42.059 -0.085 0.000 1.352 280 L HN 0.357 nan 8.230 nan 0.000 0.433 281 L N 1.804 122.986 121.223 -0.069 0.000 4.759 281 L HA -0.350 3.990 4.340 0.000 0.000 0.419 281 L C 1.231 178.081 176.870 -0.032 0.000 1.093 281 L CA 1.486 56.295 54.840 -0.051 0.000 1.037 281 L CB -1.167 40.855 42.059 -0.062 0.000 2.095 281 L HN 0.868 nan 8.230 nan 0.000 0.739 282 E N -2.341 117.841 120.200 -0.029 0.000 4.020 282 E HA -0.214 4.136 4.350 0.000 0.000 0.153 282 E C 0.822 177.412 176.600 -0.017 0.000 0.972 282 E CA 2.985 59.374 56.400 -0.018 0.000 2.735 282 E CB -1.586 28.108 29.700 -0.010 0.000 1.530 282 E HN 1.192 nan 8.360 nan 0.000 0.620 283 A N -0.478 122.330 122.820 -0.020 0.000 1.920 283 A HA 0.167 4.487 4.320 0.000 0.000 0.204 283 A C 0.535 178.109 177.584 -0.017 0.000 1.850 283 A CA 0.795 52.823 52.037 -0.015 0.000 1.593 283 A CB -0.795 18.205 19.000 -0.001 0.000 1.470 283 A HN 0.457 nan 8.150 nan 0.000 0.377 284 Q N 0.157 119.953 119.800 -0.007 0.000 2.839 284 Q HA 0.319 4.659 4.340 0.000 0.000 0.229 284 Q C 0.704 176.701 176.000 -0.005 0.000 1.140 284 Q CA 1.622 57.427 55.803 0.003 0.000 1.077 284 Q CB 0.179 28.921 28.738 0.007 0.000 1.335 284 Q HN 1.415 nan 8.270 nan 0.000 0.610 285 R N -1.811 118.699 120.500 0.016 0.000 2.148 285 R HA -0.172 4.168 4.340 0.000 0.000 0.372 285 R C 0.924 177.270 176.300 0.077 0.000 0.246 285 R CA 1.199 57.316 56.100 0.029 0.000 1.421 285 R CB -2.663 27.632 30.300 -0.008 0.000 1.823 285 R HN 0.688 nan 8.270 nan 0.000 0.207 286 L N -1.443 119.827 121.223 0.079 0.000 2.270 286 L HA 0.415 4.755 4.340 0.000 0.000 0.210 286 L C 1.685 178.624 176.870 0.115 0.000 1.104 286 L CA 1.222 56.137 54.840 0.126 0.000 0.804 286 L CB -0.429 41.702 42.059 0.121 0.000 0.937 286 L HN 0.055 nan 8.230 nan 0.000 0.450 287 E N 1.187 121.437 120.200 0.084 0.000 2.136 287 E HA -0.326 4.025 4.350 0.000 0.000 0.202 287 E C 2.172 178.825 176.600 0.089 0.000 1.019 287 E CA 2.145 58.590 56.400 0.076 0.000 0.819 287 E CB -0.308 29.424 29.700 0.052 0.000 0.739 287 E HN 0.581 nan 8.360 nan 0.000 0.458 288 Q N -0.105 119.741 119.800 0.077 0.000 2.112 288 Q HA -0.165 4.176 4.340 0.000 0.000 0.206 288 Q C 2.114 178.185 176.000 0.119 0.000 0.987 288 Q CA 2.124 57.968 55.803 0.068 0.000 0.858 288 Q CB -0.040 28.706 28.738 0.013 0.000 0.905 288 Q HN 0.149 nan 8.270 nan 0.000 0.420 289 R N -1.721 118.861 120.500 0.136 0.000 2.175 289 R HA 0.060 4.400 4.340 0.000 0.000 0.202 289 R C 1.853 178.305 176.300 0.253 0.000 1.018 289 R CA 1.151 57.378 56.100 0.212 0.000 1.029 289 R CB 0.160 30.548 30.300 0.146 0.000 0.959 289 R HN 0.285 nan 8.270 nan 0.000 0.480 290 T N 0.991 115.668 114.554 0.206 0.000 2.588 290 T HA -0.094 4.257 4.350 0.000 0.000 0.261 290 T C 1.746 176.510 174.700 0.106 0.000 1.069 290 T CA 0.880 63.096 62.100 0.193 0.000 1.172 290 T CB -0.227 68.739 68.868 0.163 0.000 0.863 290 T HN 0.160 nan 8.240 nan 0.000 0.408 291 R N 0.238 120.791 120.500 0.089 0.000 2.103 291 R HA -0.113 4.227 4.340 0.000 0.000 0.242 291 R C 2.303 178.629 176.300 0.043 0.000 1.142 291 R CA 1.417 57.544 56.100 0.045 0.000 0.960 291 R CB -0.975 29.356 30.300 0.052 0.000 0.858 291 R HN 0.542 nan 8.270 nan 0.000 0.439 292 Y N 2.246 122.559 120.300 0.023 0.000 2.207 292 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 292 Y C 1.679 177.592 175.900 0.022 0.000 1.156 292 Y CA 1.717 59.829 58.100 0.020 0.000 1.182 292 Y CB -0.153 38.321 38.460 0.024 0.000 0.979 292 Y HN 0.008 nan 8.280 nan 0.000 0.521 293 D N -0.118 120.228 120.400 -0.090 0.000 2.162 293 D HA -0.126 4.514 4.640 0.000 0.000 0.203 293 D C 2.375 178.542 176.300 -0.221 0.000 0.967 293 D CA 1.075 54.994 54.000 -0.134 0.000 0.840 293 D CB -0.302 40.556 40.800 0.096 0.000 0.972 293 D HN 0.390 nan 8.370 nan 0.000 0.482 294 L N 1.008 122.118 121.223 -0.187 0.000 1.994 294 L HA -0.190 4.151 4.340 0.000 0.000 0.208 294 L C 2.336 179.101 176.870 -0.175 0.000 1.071 294 L CA 1.345 56.070 54.840 -0.191 0.000 0.745 294 L CB -0.415 41.563 42.059 -0.135 0.000 0.892 294 L HN 0.048 nan 8.230 nan 0.000 0.431 295 E N -0.481 119.618 120.200 -0.169 0.000 2.097 295 E HA -0.286 4.064 4.350 0.000 0.000 0.196 295 E C 2.158 178.638 176.600 -0.200 0.000 1.000 295 E CA 1.215 57.518 56.400 -0.163 0.000 0.804 295 E CB -0.169 29.439 29.700 -0.154 0.000 0.740 295 E HN 0.405 nan 8.360 nan 0.000 0.454 296 M N -0.296 119.120 119.600 -0.306 0.000 2.549 296 M HA -0.037 4.443 4.480 0.000 0.000 0.260 296 M C 1.852 178.061 176.300 -0.151 0.000 1.076 296 M CA 0.991 56.135 55.300 -0.261 0.000 1.090 296 M CB -0.071 32.286 32.600 -0.404 0.000 1.418 296 M HN 0.235 nan 8.290 nan 0.000 0.486 297 M N -0.636 118.869 119.600 -0.159 0.000 2.557 297 M HA -0.064 4.416 4.480 0.000 0.000 0.262 297 M C 2.061 178.278 176.300 -0.139 0.000 1.168 297 M CA 0.866 56.080 55.300 -0.143 0.000 1.194 297 M CB -0.051 32.448 32.600 -0.168 0.000 1.311 297 M HN 0.139 nan 8.290 nan 0.000 0.489 298 R N -0.133 120.291 120.500 -0.127 0.000 2.236 298 R HA -0.064 4.277 4.340 0.000 0.000 0.208 298 R C 1.359 177.602 176.300 -0.095 0.000 1.036 298 R CA 1.300 57.337 56.100 -0.105 0.000 1.001 298 R CB -0.461 29.785 30.300 -0.091 0.000 0.896 298 R HN 0.437 nan 8.270 nan 0.000 0.464 299 E N 0.521 120.664 120.200 -0.095 0.000 2.447 299 E HA 0.120 4.470 4.350 0.000 0.000 0.195 299 E C -0.521 176.034 176.600 -0.075 0.000 1.028 299 E CA 0.241 56.596 56.400 -0.075 0.000 0.876 299 E CB 0.388 30.049 29.700 -0.066 0.000 0.885 299 E HN 0.213 nan 8.360 nan 0.000 0.500 300 M N -1.798 117.740 119.600 -0.104 0.000 2.333 300 M HA 0.246 4.726 4.480 0.000 0.000 0.286 300 M C 0.391 176.512 176.300 -0.298 0.000 1.113 300 M CA -0.405 54.815 55.300 -0.133 0.000 0.959 300 M CB 2.022 34.620 32.600 -0.004 0.000 1.776 300 M HN -0.077 nan 8.290 nan 0.000 0.492 301 G N 1.770 110.229 108.800 -0.569 0.000 2.562 301 G HA2 -0.116 3.844 3.960 0.000 0.000 0.223 301 G HA3 -0.116 3.844 3.960 0.000 0.000 0.223 301 G C 0.144 174.664 174.900 -0.632 0.000 1.102 301 G CA 1.327 46.004 45.100 -0.705 0.000 0.742 301 G HN 0.534 nan 8.290 nan 0.000 0.587 302 F N -0.885 119.083 119.950 0.030 0.000 2.656 302 F HA 0.733 5.260 4.527 0.000 0.000 0.394 302 F C 0.636 176.444 175.800 0.014 0.000 1.168 302 F CA -0.988 57.037 58.000 0.041 0.000 1.135 302 F CB 0.521 39.553 39.000 0.053 0.000 1.480 302 F HN 0.238 nan 8.300 nan 0.000 0.500 303 C N -1.568 117.899 119.300 0.278 0.000 3.165 303 C HA 0.440 4.900 4.460 0.000 0.000 0.345 303 C C 1.110 176.204 174.990 0.172 0.000 1.367 303 C CA -0.428 58.686 59.018 0.160 0.000 1.205 303 C CB 0.601 28.389 27.740 0.080 0.000 1.447 303 C HN 1.284 nan 8.230 nan 0.000 0.451 304 S N 1.717 117.521 115.700 0.174 0.000 2.506 304 S HA 0.014 4.484 4.470 0.000 0.000 0.312 304 S C 1.098 175.773 174.600 0.125 0.000 1.079 304 S CA 1.878 60.175 58.200 0.161 0.000 1.755 304 S CB -1.485 61.840 63.200 0.208 0.000 1.371 304 S HN 2.613 nan 8.310 nan 0.000 0.430 305 G N 0.005 108.890 108.800 0.142 0.000 3.727 305 G HA2 0.575 4.536 3.960 0.000 0.000 0.301 305 G HA3 0.575 4.536 3.960 0.000 0.000 0.301 305 G C 0.368 175.342 174.900 0.125 0.000 1.128 305 G CA -0.304 44.847 45.100 0.086 0.000 1.545 305 G HN 0.479 nan 8.290 nan 0.000 0.555 306 I N 1.402 122.060 120.570 0.146 0.000 2.185 306 I HA -0.221 3.949 4.170 0.000 0.000 0.246 306 I C 2.431 178.649 176.117 0.168 0.000 1.088 306 I CA 1.637 63.079 61.300 0.237 0.000 1.347 306 I CB 0.063 38.179 38.000 0.193 0.000 1.041 306 I HN 0.499 nan 8.210 nan 0.000 0.415 307 E N 0.547 120.716 120.200 -0.051 0.000 2.172 307 E HA -0.319 4.031 4.350 0.000 0.000 0.213 307 E C 1.969 178.623 176.600 0.091 0.000 1.051 307 E CA 2.041 58.408 56.400 -0.054 0.000 0.860 307 E CB -0.732 28.904 29.700 -0.106 0.000 0.755 307 E HN 0.557 nan 8.360 nan 0.000 0.462 308 N N -0.522 118.161 118.700 -0.028 0.000 2.334 308 N HA -0.168 4.572 4.740 0.000 0.000 0.187 308 N C 1.016 176.339 175.510 -0.311 0.000 1.016 308 N CA 1.118 54.055 53.050 -0.188 0.000 0.879 308 N CB -0.086 38.209 38.487 -0.321 0.000 0.965 308 N HN 0.382 nan 8.380 nan 0.000 0.438 309 Y N 0.263 120.679 120.300 0.194 0.000 2.457 309 Y HA 0.044 4.594 4.550 0.000 0.000 0.263 309 Y C 2.325 178.377 175.900 0.253 0.000 1.164 309 Y CA -0.148 58.094 58.100 0.236 0.000 1.274 309 Y CB 0.133 38.721 38.460 0.213 0.000 1.097 309 Y HN 0.062 nan 8.280 nan 0.000 0.523 310 S N 0.736 116.656 115.700 0.366 0.000 2.389 310 S HA -0.339 4.131 4.470 0.000 0.000 0.231 310 S C 2.183 176.936 174.600 0.255 0.000 1.052 310 S CA 1.473 59.902 58.200 0.382 0.000 1.053 310 S CB -0.344 63.147 63.200 0.485 0.000 0.886 310 S HN 0.432 nan 8.310 nan 0.000 0.456 311 R N 0.692 121.289 120.500 0.160 0.000 2.075 311 R HA -0.108 4.232 4.340 0.000 0.000 0.232 311 R C 2.270 178.606 176.300 0.060 0.000 1.126 311 R CA 1.711 57.850 56.100 0.065 0.000 0.963 311 R CB -0.818 29.460 30.300 -0.037 0.000 0.858 311 R HN 0.627 nan 8.270 nan 0.000 0.435 312 H N 0.888 120.069 119.070 0.185 0.000 2.293 312 H HA -0.081 4.475 4.556 0.000 0.000 0.300 312 H C 2.229 177.647 175.328 0.150 0.000 1.082 312 H CA 1.539 57.687 56.048 0.168 0.000 1.308 312 H CB -0.304 29.580 29.762 0.203 0.000 1.375 312 H HN 0.163 nan 8.280 nan 0.000 0.495 313 L N 0.091 121.507 121.223 0.322 0.000 2.079 313 L HA -0.159 4.181 4.340 0.000 0.000 0.210 313 L C 2.717 179.693 176.870 0.177 0.000 1.081 313 L CA 1.089 56.067 54.840 0.230 0.000 0.752 313 L CB -0.653 41.562 42.059 0.260 0.000 0.896 313 L HN 0.209 nan 8.230 nan 0.000 0.433 314 A N -0.917 122.009 122.820 0.176 0.000 2.121 314 A HA -0.056 4.264 4.320 0.000 0.000 0.218 314 A C 1.262 178.924 177.584 0.130 0.000 1.154 314 A CA 0.301 52.425 52.037 0.145 0.000 0.679 314 A CB -0.146 18.961 19.000 0.179 0.000 0.795 314 A HN 0.364 nan 8.150 nan 0.000 0.458 315 L N -1.387 119.919 121.223 0.138 0.000 3.608 315 L HA -0.171 4.169 4.340 0.000 0.000 0.422 315 L C 0.299 177.229 176.870 0.100 0.000 1.260 315 L CA 0.844 55.756 54.840 0.120 0.000 0.889 315 L CB -2.006 40.109 42.059 0.094 0.000 1.821 315 L HN 0.584 nan 8.230 nan 0.000 0.884 316 R N -0.519 120.037 120.500 0.093 0.000 2.856 316 R HA 0.779 5.119 4.340 0.000 0.000 0.258 316 R C -2.271 174.054 176.300 0.041 0.000 1.066 316 R CA -1.836 54.305 56.100 0.068 0.000 1.045 316 R CB 0.403 30.745 30.300 0.069 0.000 1.178 316 R HN -0.071 nan 8.270 nan 0.000 0.499 317 P HA 0.154 nan 4.420 nan 0.000 0.275 317 P C -2.431 174.869 177.300 -0.000 0.000 1.228 317 P CA -1.407 61.704 63.100 0.018 0.000 0.786 317 P CB -0.109 31.602 31.700 0.017 0.000 0.927 318 P HA 0.018 nan 4.420 nan 0.000 0.268 318 P C 1.003 178.302 177.300 -0.002 0.000 1.205 318 P CA 0.880 63.971 63.100 -0.015 0.000 0.771 318 P CB 0.191 31.889 31.700 -0.003 0.000 0.858 319 G N 1.481 110.282 108.800 0.002 0.000 2.234 319 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 319 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 319 G C 0.525 175.424 174.900 -0.001 0.000 0.987 319 G CA 0.334 45.441 45.100 0.013 0.000 0.625 319 G HN 0.645 nan 8.290 nan 0.000 0.532 320 S N 0.909 116.600 115.700 -0.015 0.000 2.550 320 S HA 0.361 4.831 4.470 0.000 0.000 0.285 320 S C 0.830 175.397 174.600 -0.054 0.000 1.326 320 S CA 0.925 59.100 58.200 -0.041 0.000 1.037 320 S CB 0.672 63.844 63.200 -0.046 0.000 0.838 320 S HN 0.506 nan 8.310 nan 0.000 0.519 321 T N 4.816 119.310 114.554 -0.099 0.000 2.832 321 T HA 0.334 4.684 4.350 0.000 0.000 0.296 321 T C -2.051 172.546 174.700 -0.172 0.000 0.968 321 T CA -0.994 61.040 62.100 -0.110 0.000 1.107 321 T CB 0.687 69.480 68.868 -0.124 0.000 0.916 321 T HN 0.353 nan 8.240 nan 0.000 0.517 322 P HA 0.101 nan 4.420 nan 0.000 0.270 322 P C -0.870 176.323 177.300 -0.178 0.000 1.227 322 P CA -0.132 62.922 63.100 -0.077 0.000 0.788 322 P CB 0.327 32.047 31.700 0.034 0.000 0.926 323 Y N -0.290 120.020 120.300 0.017 0.000 2.334 323 Y HA 0.502 5.052 4.550 0.000 0.000 0.328 323 Y C 1.210 177.138 175.900 0.047 0.000 1.130 323 Y CA 0.260 58.365 58.100 0.007 0.000 1.163 323 Y CB 1.436 39.882 38.460 -0.024 0.000 1.207 323 Y HN 0.365 nan 8.280 nan 0.000 0.471 324 T N -0.699 113.998 114.554 0.238 0.000 2.787 324 T HA 0.189 4.539 4.350 0.000 0.000 0.297 324 T C 0.123 174.925 174.700 0.169 0.000 1.221 324 T CA -0.943 61.247 62.100 0.150 0.000 1.006 324 T CB 0.856 69.761 68.868 0.061 0.000 1.328 324 T HN 0.475 nan 8.240 nan 0.000 0.509 325 L N 0.934 122.128 121.223 -0.049 0.000 2.129 325 L HA 0.044 4.384 4.340 0.000 0.000 0.212 325 L C 2.250 179.164 176.870 0.073 0.000 1.087 325 L CA 1.651 56.392 54.840 -0.165 0.000 0.757 325 L CB -1.231 40.414 42.059 -0.690 0.000 0.896 325 L HN 0.752 nan 8.230 nan 0.000 0.434 326 L N -0.784 120.478 121.223 0.065 0.000 2.127 326 L HA -0.250 4.090 4.340 0.000 0.000 0.211 326 L C 1.854 178.691 176.870 -0.056 0.000 1.089 326 L CA 1.749 56.613 54.840 0.040 0.000 0.757 326 L CB -0.975 41.121 42.059 0.063 0.000 0.899 326 L HN 0.343 nan 8.230 nan 0.000 0.434 327 D N -1.470 118.954 120.400 0.041 0.000 2.277 327 D HA -0.132 4.509 4.640 0.000 0.000 0.208 327 D C 1.860 178.115 176.300 -0.075 0.000 0.962 327 D CA 0.686 54.690 54.000 0.007 0.000 0.865 327 D CB -0.055 40.820 40.800 0.124 0.000 0.939 327 D HN 0.251 nan 8.370 nan 0.000 0.510 328 Y N -0.102 120.106 120.300 -0.154 0.000 2.373 328 Y HA 0.071 4.621 4.550 0.000 0.000 0.293 328 Y C 0.637 176.257 175.900 -0.467 0.000 1.129 328 Y CA 0.112 58.039 58.100 -0.289 0.000 1.226 328 Y CB -0.463 37.767 38.460 -0.384 0.000 1.000 328 Y HN -0.099 nan 8.280 nan 0.000 0.549 329 F N 1.432 121.165 119.950 -0.361 0.000 2.496 329 F HA 0.182 4.709 4.527 0.000 0.000 0.344 329 F C -1.518 174.006 175.800 -0.459 0.000 1.155 329 F CA -2.314 55.377 58.000 -0.515 0.000 1.302 329 F CB -0.130 38.276 39.000 -0.990 0.000 1.159 329 F HN -0.141 nan 8.300 nan 0.000 0.595 330 P HA -0.027 nan 4.420 nan 0.000 0.269 330 P C 0.066 177.349 177.300 -0.027 0.000 1.217 330 P CA 0.034 63.105 63.100 -0.049 0.000 0.783 330 P CB 0.579 32.293 31.700 0.023 0.000 0.898 331 D N 0.343 120.753 120.400 0.016 0.000 2.221 331 D HA -0.166 4.474 4.640 0.000 0.000 0.204 331 D C 0.547 176.933 176.300 0.143 0.000 0.982 331 D CA 1.291 55.321 54.000 0.051 0.000 0.857 331 D CB -0.150 40.673 40.800 0.038 0.000 0.934 331 D HN 0.439 nan 8.370 nan 0.000 0.475 332 D N -0.561 119.942 120.400 0.172 0.000 2.788 332 D HA -0.000 4.640 4.640 0.000 0.000 0.289 332 D C 0.471 176.905 176.300 0.223 0.000 1.340 332 D CA -0.680 53.419 54.000 0.166 0.000 0.831 332 D CB -1.315 39.530 40.800 0.075 0.000 1.103 332 D HN 0.304 nan 8.370 nan 0.000 0.476 333 F N -0.261 119.656 119.950 -0.055 0.000 2.444 333 F HA 0.447 4.975 4.527 0.000 0.000 0.297 333 F C -0.282 175.413 175.800 -0.175 0.000 1.295 333 F CA -1.308 56.637 58.000 -0.092 0.000 1.286 333 F CB 0.404 39.281 39.000 -0.205 0.000 1.298 333 F HN -0.081 nan 8.300 nan 0.000 0.531 334 L N 1.595 122.609 121.223 -0.348 0.000 2.385 334 L HA 0.588 4.928 4.340 0.000 0.000 0.273 334 L C -1.218 175.326 176.870 -0.544 0.000 0.990 334 L CA -0.741 53.822 54.840 -0.462 0.000 0.821 334 L CB 1.556 43.475 42.059 -0.234 0.000 1.279 334 L HN 0.611 nan 8.230 nan 0.000 0.412 335 I N 5.685 125.886 120.570 -0.615 0.000 2.412 335 I HA 0.461 4.631 4.170 0.000 0.000 0.296 335 I C -0.615 175.319 176.117 -0.306 0.000 0.987 335 I CA -0.324 60.710 61.300 -0.443 0.000 1.180 335 I CB 1.793 39.521 38.000 -0.453 0.000 1.340 335 I HN 0.484 nan 8.210 nan 0.000 0.455 336 I N 6.409 126.869 120.570 -0.183 0.000 2.410 336 I HA 0.281 4.451 4.170 0.000 0.000 0.286 336 I C -0.728 175.375 176.117 -0.023 0.000 1.009 336 I CA -0.687 60.545 61.300 -0.114 0.000 1.111 336 I CB 1.708 39.664 38.000 -0.073 0.000 1.262 336 I HN 0.169 nan 8.210 nan 0.000 0.443 337 V N 5.027 124.958 119.914 0.028 0.000 2.348 337 V HA 0.156 4.276 4.120 0.000 0.000 0.270 337 V C -0.029 176.160 176.094 0.159 0.000 1.037 337 V CA -0.556 61.827 62.300 0.139 0.000 0.872 337 V CB 1.205 33.211 31.823 0.305 0.000 1.002 337 V HN 0.705 nan 8.190 nan 0.000 0.464 338 D N 4.222 124.704 120.400 0.136 0.000 2.302 338 D HA 0.163 4.803 4.640 0.000 0.000 0.248 338 D C 0.524 176.938 176.300 0.190 0.000 1.094 338 D CA -0.078 54.012 54.000 0.151 0.000 0.897 338 D CB 0.638 41.514 40.800 0.126 0.000 1.200 338 D HN 0.612 nan 8.370 nan 0.000 0.429 339 E N 1.900 122.229 120.200 0.215 0.000 2.269 339 E HA -0.247 4.103 4.350 0.000 0.000 0.223 339 E C 0.918 177.596 176.600 0.130 0.000 1.244 339 E CA 0.860 57.403 56.400 0.238 0.000 0.713 339 E CB -1.988 27.877 29.700 0.274 0.000 1.178 339 E HN 0.563 nan 8.360 nan 0.000 0.370 340 S N 0.122 115.948 115.700 0.210 0.000 2.440 340 S HA -0.237 4.233 4.470 0.000 0.000 0.238 340 S C 1.710 176.351 174.600 0.067 0.000 1.010 340 S CA 1.461 59.762 58.200 0.167 0.000 0.972 340 S CB -0.491 62.874 63.200 0.275 0.000 0.774 340 S HN 0.649 nan 8.310 nan 0.000 0.501 341 H N 0.258 119.348 119.070 0.033 0.000 2.524 341 H HA 0.177 4.733 4.556 0.000 0.000 0.282 341 H C 1.732 177.050 175.328 -0.016 0.000 1.016 341 H CA 1.185 57.234 56.048 0.002 0.000 1.270 341 H CB -0.543 29.225 29.762 0.010 0.000 1.394 341 H HN 0.454 nan 8.280 nan 0.000 0.568 342 V N 0.877 120.404 119.914 -0.644 0.000 2.690 342 V HA -0.109 4.011 4.120 0.000 0.000 0.240 342 V C 2.453 178.332 176.094 -0.359 0.000 1.078 342 V CA 1.394 63.368 62.300 -0.542 0.000 1.102 342 V CB -0.117 31.216 31.823 -0.817 0.000 0.800 342 V HN 0.392 nan 8.190 nan 0.000 0.479 343 T N 1.417 115.832 114.554 -0.232 0.000 2.684 343 T HA -0.177 4.173 4.350 0.000 0.000 0.267 343 T C 1.921 176.573 174.700 -0.080 0.000 1.036 343 T CA 1.763 63.819 62.100 -0.072 0.000 1.148 343 T CB -0.338 68.563 68.868 0.055 0.000 0.863 343 T HN 0.233 nan 8.240 nan 0.000 0.436 344 L N 0.893 122.082 121.223 -0.056 0.000 1.994 344 L HA -0.062 4.278 4.340 0.000 0.000 0.208 344 L C -0.365 176.446 176.870 -0.098 0.000 1.071 344 L CA 1.380 56.197 54.840 -0.038 0.000 0.745 344 L CB -1.842 40.206 42.059 -0.018 0.000 0.892 344 L HN 0.209 nan 8.230 nan 0.000 0.431 345 P HA -0.232 nan 4.420 nan 0.000 0.215 345 P C 1.516 178.741 177.300 -0.125 0.000 1.157 345 P CA 1.419 64.429 63.100 -0.150 0.000 0.868 345 P CB -0.042 31.581 31.700 -0.128 0.000 0.788 346 Q N -0.345 119.381 119.800 -0.124 0.000 2.030 346 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 346 Q C 2.161 178.111 176.000 -0.084 0.000 0.986 346 Q CA 1.568 57.313 55.803 -0.096 0.000 0.843 346 Q CB -1.111 27.575 28.738 -0.087 0.000 0.904 346 Q HN 0.032 nan 8.270 nan 0.000 0.420 347 L N 1.069 122.226 121.223 -0.109 0.000 2.010 347 L HA -0.285 4.056 4.340 0.000 0.000 0.219 347 L C 2.842 179.661 176.870 -0.085 0.000 1.077 347 L CA 2.696 57.439 54.840 -0.162 0.000 0.773 347 L CB -0.490 41.399 42.059 -0.283 0.000 0.892 347 L HN 0.425 nan 8.230 nan 0.000 0.436 348 R N -0.980 119.525 120.500 0.007 0.000 2.237 348 R HA -0.041 4.299 4.340 0.000 0.000 0.219 348 R C 1.752 178.052 176.300 -0.001 0.000 1.080 348 R CA 1.371 57.506 56.100 0.059 0.000 0.995 348 R CB -0.810 29.437 30.300 -0.088 0.000 0.875 348 R HN 0.340 nan 8.270 nan 0.000 0.462 349 G N -0.023 108.760 108.800 -0.029 0.000 3.088 349 G HA2 0.057 4.017 3.960 0.000 0.000 0.217 349 G HA3 0.057 4.017 3.960 0.000 0.000 0.217 349 G C 1.259 176.161 174.900 0.004 0.000 1.159 349 G CA -0.249 44.842 45.100 -0.014 0.000 0.760 349 G HN 0.074 nan 8.290 nan 0.000 0.550 350 M N -0.026 119.567 119.600 -0.011 0.000 2.067 350 M HA -0.072 4.408 4.480 0.000 0.000 0.260 350 M C 2.262 178.560 176.300 -0.002 0.000 1.069 350 M CA 1.197 56.480 55.300 -0.029 0.000 1.117 350 M CB -1.071 31.450 32.600 -0.131 0.000 1.334 350 M HN 0.398 nan 8.290 nan 0.000 0.407 351 Y N 1.846 122.081 120.300 -0.109 0.000 2.128 351 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 351 Y C 2.177 178.051 175.900 -0.044 0.000 1.154 351 Y CA 1.929 59.979 58.100 -0.083 0.000 1.149 351 Y CB -0.407 38.013 38.460 -0.067 0.000 0.976 351 Y HN 0.291 nan 8.280 nan 0.000 0.505 352 N N 0.341 119.130 118.700 0.147 0.000 2.043 352 N HA -0.164 4.576 4.740 0.000 0.000 0.193 352 N C 2.068 177.538 175.510 -0.067 0.000 1.037 352 N CA 1.644 54.716 53.050 0.036 0.000 0.851 352 N CB -1.218 37.314 38.487 0.075 0.000 1.027 352 N HN 0.576 nan 8.380 nan 0.000 0.422 353 G N 0.735 109.514 108.800 -0.034 0.000 2.440 353 G HA2 -0.280 3.681 3.960 0.000 0.000 0.218 353 G HA3 -0.280 3.681 3.960 0.000 0.000 0.218 353 G C 1.266 176.135 174.900 -0.052 0.000 1.154 353 G CA 0.973 46.052 45.100 -0.034 0.000 0.767 353 G HN 0.348 nan 8.290 nan 0.000 0.552 354 D N 0.557 120.914 120.400 -0.072 0.000 2.097 354 D HA -0.119 4.522 4.640 0.000 0.000 0.197 354 D C 2.448 178.662 176.300 -0.143 0.000 0.984 354 D CA 0.932 54.891 54.000 -0.069 0.000 0.826 354 D CB -0.097 40.670 40.800 -0.055 0.000 0.973 354 D HN 0.329 nan 8.370 nan 0.000 0.460 355 R N 0.529 120.854 120.500 -0.292 0.000 2.073 355 R HA -0.133 4.207 4.340 0.000 0.000 0.234 355 R C 2.353 178.561 176.300 -0.154 0.000 1.134 355 R CA 1.680 57.598 56.100 -0.304 0.000 0.952 355 R CB -0.355 29.629 30.300 -0.526 0.000 0.850 355 R HN 0.119 nan 8.270 nan 0.000 0.433 356 A N 1.769 124.519 122.820 -0.117 0.000 1.859 356 A HA -0.256 4.064 4.320 0.000 0.000 0.217 356 A C 2.214 179.767 177.584 -0.052 0.000 1.198 356 A CA 1.842 53.839 52.037 -0.068 0.000 0.629 356 A CB -0.830 18.140 19.000 -0.050 0.000 0.830 356 A HN 0.539 nan 8.150 nan 0.000 0.446 357 R N -0.645 119.829 120.500 -0.044 0.000 2.341 357 R HA -0.056 4.284 4.340 0.000 0.000 0.213 357 R C 1.507 177.799 176.300 -0.014 0.000 1.082 357 R CA 1.658 57.743 56.100 -0.025 0.000 1.017 357 R CB -0.123 30.169 30.300 -0.014 0.000 0.860 357 R HN 0.496 nan 8.270 nan 0.000 0.473 358 K N -0.669 119.717 120.400 -0.024 0.000 2.399 358 K HA 0.052 4.372 4.320 0.000 0.000 0.196 358 K C 1.762 178.354 176.600 -0.014 0.000 1.117 358 K CA 0.020 56.301 56.287 -0.009 0.000 0.965 358 K CB 0.427 32.916 32.500 -0.018 0.000 0.983 358 K HN 0.140 nan 8.250 nan 0.000 0.531 359 Q N 0.783 120.563 119.800 -0.034 0.000 2.084 359 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 359 Q C 2.041 178.026 176.000 -0.026 0.000 0.978 359 Q CA 1.447 57.233 55.803 -0.029 0.000 0.844 359 Q CB 0.032 28.749 28.738 -0.035 0.000 0.898 359 Q HN 0.062 nan 8.270 nan 0.000 0.426 360 V N 0.478 120.368 119.914 -0.040 0.000 2.295 360 V HA -0.253 3.867 4.120 0.000 0.000 0.246 360 V C 1.989 178.041 176.094 -0.071 0.000 1.049 360 V CA 1.609 63.860 62.300 -0.082 0.000 1.024 360 V CB -0.269 31.499 31.823 -0.092 0.000 0.648 360 V HN 0.403 nan 8.190 nan 0.000 0.447 361 L N -0.370 120.861 121.223 0.013 0.000 2.127 361 L HA -0.148 4.192 4.340 0.000 0.000 0.211 361 L C 2.252 179.157 176.870 0.059 0.000 1.089 361 L CA 1.338 56.236 54.840 0.096 0.000 0.757 361 L CB -0.412 41.725 42.059 0.130 0.000 0.899 361 L HN 0.277 nan 8.230 nan 0.000 0.434 362 V N -1.169 118.760 119.914 0.026 0.000 3.306 362 V HA -0.142 3.978 4.120 0.000 0.000 0.264 362 V C 1.609 177.703 176.094 0.001 0.000 1.149 362 V CA 1.090 63.402 62.300 0.020 0.000 1.143 362 V CB -0.313 31.522 31.823 0.020 0.000 0.767 362 V HN 0.369 nan 8.190 nan 0.000 0.476 363 D N -0.748 119.647 120.400 -0.008 0.000 2.201 363 D HA -0.005 4.635 4.640 0.000 0.000 0.209 363 D C 1.497 177.859 176.300 0.104 0.000 0.961 363 D CA 0.936 54.960 54.000 0.040 0.000 0.861 363 D CB -0.147 40.679 40.800 0.044 0.000 0.997 363 D HN 0.526 nan 8.370 nan 0.000 0.486 364 H N 0.135 119.048 119.070 -0.263 0.000 2.727 364 H HA 0.264 4.820 4.556 0.000 0.000 0.312 364 H C 0.919 175.745 175.328 -0.835 0.000 1.204 364 H CA -0.405 55.289 56.048 -0.590 0.000 1.122 364 H CB -0.149 29.142 29.762 -0.786 0.000 1.453 364 H HN 0.054 nan 8.280 nan 0.000 0.514 365 G N 1.026 109.658 108.800 -0.279 0.000 2.452 365 G HA2 -0.318 3.642 3.960 0.000 0.000 0.311 365 G HA3 -0.318 3.642 3.960 0.000 0.000 0.311 365 G C 0.416 175.281 174.900 -0.057 0.000 0.841 365 G CA 0.500 45.513 45.100 -0.145 0.000 0.907 365 G HN 0.437 nan 8.290 nan 0.000 0.502 366 F N -0.512 119.479 119.950 0.069 0.000 2.811 366 F HA 0.320 4.847 4.527 0.000 0.000 0.301 366 F C 1.554 177.411 175.800 0.096 0.000 1.151 366 F CA 0.193 58.249 58.000 0.093 0.000 1.412 366 F CB 0.092 39.208 39.000 0.193 0.000 1.113 366 F HN 0.084 nan 8.300 nan 0.000 0.579 367 R N -0.343 120.285 120.500 0.214 0.000 2.692 367 R HA 0.473 4.814 4.340 0.000 0.000 0.269 367 R C -0.824 175.533 176.300 0.094 0.000 1.030 367 R CA -0.771 55.408 56.100 0.132 0.000 0.882 367 R CB 1.390 31.743 30.300 0.087 0.000 1.250 367 R HN -0.019 nan 8.270 nan 0.000 0.465 368 L N 0.201 121.475 121.223 0.085 0.000 2.431 368 L HA 0.593 4.934 4.340 0.000 0.000 0.260 368 L C -1.312 175.599 176.870 0.069 0.000 1.098 368 L CA -2.119 52.778 54.840 0.094 0.000 0.800 368 L CB 0.289 42.437 42.059 0.148 0.000 1.210 368 L HN 0.209 nan 8.230 nan 0.000 0.465 369 P HA -0.239 nan 4.420 nan 0.000 0.216 369 P C 1.829 179.153 177.300 0.039 0.000 1.157 369 P CA 2.112 65.241 63.100 0.049 0.000 0.880 369 P CB -0.065 31.667 31.700 0.052 0.000 0.791 370 S N 0.009 115.744 115.700 0.057 0.000 2.407 370 S HA -0.248 4.222 4.470 0.000 0.000 0.235 370 S C 2.100 176.697 174.600 -0.006 0.000 1.036 370 S CA 1.550 59.754 58.200 0.006 0.000 1.013 370 S CB -1.605 61.604 63.200 0.015 0.000 0.820 370 S HN 0.211 nan 8.310 nan 0.000 0.476 371 A N 1.814 124.635 122.820 0.001 0.000 2.024 371 A HA 0.103 4.423 4.320 0.000 0.000 0.220 371 A C 2.249 179.832 177.584 -0.002 0.000 1.164 371 A CA 1.394 53.415 52.037 -0.026 0.000 0.643 371 A CB -0.839 18.137 19.000 -0.040 0.000 0.806 371 A HN 0.597 nan 8.150 nan 0.000 0.451 372 L N -0.596 120.627 121.223 -0.001 0.000 2.131 372 L HA -0.159 4.181 4.340 0.000 0.000 0.210 372 L C 1.215 178.091 176.870 0.009 0.000 1.092 372 L CA 1.058 55.893 54.840 -0.010 0.000 0.759 372 L CB -0.494 41.558 42.059 -0.011 0.000 0.903 372 L HN 0.224 nan 8.230 nan 0.000 0.435 373 D N -0.068 120.342 120.400 0.016 0.000 2.371 373 D HA -0.069 4.571 4.640 0.000 0.000 0.234 373 D C 0.632 176.968 176.300 0.060 0.000 1.049 373 D CA 0.528 54.546 54.000 0.030 0.000 0.907 373 D CB -0.248 40.552 40.800 -0.001 0.000 0.891 373 D HN 0.257 nan 8.370 nan 0.000 0.531 374 N N 1.252 119.996 118.700 0.073 0.000 2.800 374 N HA 0.120 4.861 4.740 0.000 0.000 0.240 374 N C -0.717 174.874 175.510 0.136 0.000 1.096 374 N CA -0.280 52.848 53.050 0.131 0.000 0.877 374 N CB 0.676 39.251 38.487 0.146 0.000 1.138 374 N HN 0.076 nan 8.380 nan 0.000 0.509 375 R N 0.848 121.426 120.500 0.131 0.000 2.795 375 R HA 0.655 4.995 4.340 0.000 0.000 0.268 375 R C -3.072 173.247 176.300 0.032 0.000 1.041 375 R CA -1.403 54.752 56.100 0.091 0.000 0.927 375 R CB 0.598 30.917 30.300 0.032 0.000 1.235 375 R HN 0.057 nan 8.270 nan 0.000 0.463 376 P HA 0.132 nan 4.420 nan 0.000 0.274 376 P C -0.311 176.934 177.300 -0.093 0.000 1.256 376 P CA -0.480 62.394 63.100 -0.378 0.000 0.795 376 P CB 0.502 31.757 31.700 -0.740 0.000 1.038 377 L N 0.181 121.332 121.223 -0.120 0.000 2.452 377 L HA 0.201 4.541 4.340 0.000 0.000 0.267 377 L C 1.444 178.267 176.870 -0.078 0.000 1.188 377 L CA -0.255 54.544 54.840 -0.068 0.000 0.821 377 L CB 0.093 42.115 42.059 -0.061 0.000 1.102 377 L HN 0.479 nan 8.230 nan 0.000 0.470 378 T N -1.957 112.505 114.554 -0.154 0.000 2.828 378 T HA 0.076 4.426 4.350 0.000 0.000 0.290 378 T C 0.889 175.542 174.700 -0.078 0.000 1.019 378 T CA -0.366 61.599 62.100 -0.225 0.000 1.031 378 T CB 0.677 69.322 68.868 -0.372 0.000 1.001 378 T HN 0.432 nan 8.240 nan 0.000 0.531 379 F N 1.449 121.317 119.950 -0.136 0.000 2.126 379 F HA -0.045 4.483 4.527 0.000 0.000 0.299 379 F C 2.266 178.062 175.800 -0.007 0.000 1.096 379 F CA 1.758 59.713 58.000 -0.074 0.000 1.255 379 F CB -0.346 38.572 39.000 -0.136 0.000 0.997 379 F HN 0.647 nan 8.300 nan 0.000 0.479 380 E N 0.359 120.622 120.200 0.105 0.000 2.118 380 E HA -0.218 4.132 4.350 0.000 0.000 0.195 380 E C 2.004 178.576 176.600 -0.047 0.000 0.992 380 E CA 1.789 58.217 56.400 0.047 0.000 0.804 380 E CB -0.415 29.305 29.700 0.032 0.000 0.741 380 E HN 0.538 nan 8.360 nan 0.000 0.458 381 E N -0.568 119.587 120.200 -0.075 0.000 2.107 381 E HA -0.115 4.235 4.350 0.000 0.000 0.191 381 E C 1.663 178.212 176.600 -0.085 0.000 0.982 381 E CA 0.557 56.908 56.400 -0.082 0.000 0.809 381 E CB -0.187 29.463 29.700 -0.083 0.000 0.756 381 E HN 0.212 nan 8.360 nan 0.000 0.459 382 F N 2.229 122.004 119.950 -0.292 0.000 2.102 382 F HA -0.189 4.338 4.527 0.000 0.000 0.298 382 F C 1.896 177.498 175.800 -0.330 0.000 1.105 382 F CA 1.646 59.433 58.000 -0.355 0.000 1.239 382 F CB -0.117 38.535 39.000 -0.580 0.000 0.991 382 F HN -0.078 nan 8.300 nan 0.000 0.474 383 E N -0.161 119.797 120.200 -0.404 0.000 2.023 383 E HA -0.345 4.005 4.350 0.000 0.000 0.196 383 E C 2.131 178.583 176.600 -0.247 0.000 1.003 383 E CA 1.759 57.964 56.400 -0.326 0.000 0.809 383 E CB -0.353 29.313 29.700 -0.056 0.000 0.755 383 E HN 0.619 nan 8.360 nan 0.000 0.449 384 Q N 1.186 120.898 119.800 -0.146 0.000 2.325 384 Q HA -0.202 4.139 4.340 0.000 0.000 0.211 384 Q C 1.305 177.232 176.000 -0.122 0.000 0.988 384 Q CA 1.779 57.520 55.803 -0.102 0.000 0.887 384 Q CB -0.134 28.563 28.738 -0.069 0.000 0.915 384 Q HN 0.051 nan 8.270 nan 0.000 0.440 385 K N -0.315 119.979 120.400 -0.176 0.000 2.404 385 K HA 0.283 4.603 4.320 0.000 0.000 0.194 385 K C -0.316 176.198 176.600 -0.143 0.000 1.023 385 K CA -0.223 55.991 56.287 -0.121 0.000 1.094 385 K CB 0.363 32.810 32.500 -0.089 0.000 0.841 385 K HN 0.231 nan 8.250 nan 0.000 0.523 386 I N 1.722 122.090 120.570 -0.337 0.000 2.496 386 I HA -0.066 4.105 4.170 0.000 0.000 0.285 386 I C 1.178 177.098 176.117 -0.328 0.000 1.080 386 I CA -0.242 60.782 61.300 -0.459 0.000 1.404 386 I CB 1.004 38.646 38.000 -0.596 0.000 1.403 386 I HN 0.093 nan 8.210 nan 0.000 0.539 387 N N 4.954 123.409 118.700 -0.409 0.000 2.324 387 N HA 0.036 4.776 4.740 0.000 0.000 0.192 387 N C -0.298 174.999 175.510 -0.355 0.000 1.046 387 N CA 1.127 54.010 53.050 -0.280 0.000 0.898 387 N CB 0.462 38.835 38.487 -0.189 0.000 1.079 387 N HN 0.614 nan 8.380 nan 0.000 0.456 388 Q N -0.379 119.132 119.800 -0.483 0.000 2.268 388 Q HA 0.446 4.786 4.340 0.000 0.000 0.266 388 Q C -1.612 174.084 176.000 -0.507 0.000 1.006 388 Q CA -0.658 54.889 55.803 -0.427 0.000 0.824 388 Q CB 2.400 30.962 28.738 -0.294 0.000 1.306 388 Q HN 0.325 nan 8.270 nan 0.000 0.424 389 I N 0.127 120.390 120.570 -0.510 0.000 2.740 389 I HA 0.618 4.788 4.170 0.000 0.000 0.303 389 I C -0.621 175.194 176.117 -0.503 0.000 1.044 389 I CA -0.821 60.150 61.300 -0.549 0.000 1.064 389 I CB 1.590 39.175 38.000 -0.691 0.000 1.249 389 I HN 0.466 nan 8.210 nan 0.000 0.433 390 I N 4.175 124.462 120.570 -0.472 0.000 2.439 390 I HA 0.352 4.522 4.170 0.000 0.000 0.283 390 I C -1.213 174.714 176.117 -0.318 0.000 1.023 390 I CA -0.552 60.549 61.300 -0.333 0.000 1.100 390 I CB 1.161 39.055 38.000 -0.177 0.000 1.238 390 I HN 0.496 nan 8.210 nan 0.000 0.445 391 Y N 5.252 125.589 120.300 0.062 0.000 2.304 391 Y HA 0.429 4.979 4.550 0.000 0.000 0.328 391 Y C 0.240 176.186 175.900 0.076 0.000 1.123 391 Y CA -0.843 57.311 58.100 0.090 0.000 1.218 391 Y CB 1.237 39.778 38.460 0.135 0.000 1.207 391 Y HN 0.169 nan 8.280 nan 0.000 0.495 392 V N 3.081 123.135 119.914 0.233 0.000 2.357 392 V HA 0.617 4.737 4.120 0.000 0.000 0.284 392 V C -0.368 175.838 176.094 0.185 0.000 1.018 392 V CA -0.367 62.032 62.300 0.165 0.000 0.841 392 V CB 1.167 33.062 31.823 0.120 0.000 0.991 392 V HN 0.802 nan 8.190 nan 0.000 0.437 393 S N 3.353 119.142 115.700 0.148 0.000 2.565 393 S HA 0.629 5.099 4.470 0.000 0.000 0.274 393 S C 0.558 175.181 174.600 0.038 0.000 1.144 393 S CA 0.284 58.566 58.200 0.136 0.000 0.849 393 S CB 1.821 65.162 63.200 0.234 0.000 1.103 393 S HN 1.010 nan 8.310 nan 0.000 0.455 394 A N 1.751 124.558 122.820 -0.021 0.000 2.067 394 A HA 0.266 4.586 4.320 0.000 0.000 0.217 394 A C 1.065 178.579 177.584 -0.118 0.000 1.156 394 A CA 1.507 53.508 52.037 -0.060 0.000 0.683 394 A CB -0.470 18.493 19.000 -0.062 0.000 0.808 394 A HN 1.467 nan 8.150 nan 0.000 0.455 395 T N -1.884 112.537 114.554 -0.222 0.000 3.542 395 T HA 0.454 4.804 4.350 0.000 0.000 0.276 395 T C -3.122 171.454 174.700 -0.207 0.000 1.412 395 T CA -1.739 60.208 62.100 -0.255 0.000 1.664 395 T CB 0.724 69.356 68.868 -0.393 0.000 0.863 395 T HN -0.044 nan 8.240 nan 0.000 0.661 396 P HA 0.225 nan 4.420 nan 0.000 0.264 396 P C 0.948 178.260 177.300 0.020 0.000 1.179 396 P CA 0.462 63.573 63.100 0.018 0.000 0.763 396 P CB 0.378 32.090 31.700 0.020 0.000 0.806 397 G N 3.656 112.490 108.800 0.056 0.000 2.580 397 G HA2 0.258 4.218 3.960 0.000 0.000 0.278 397 G HA3 0.258 4.218 3.960 0.000 0.000 0.278 397 G C -1.675 173.228 174.900 0.006 0.000 1.212 397 G CA -1.195 43.930 45.100 0.041 0.000 0.939 397 G HN 0.270 nan 8.290 nan 0.000 0.513 398 P HA -0.164 nan 4.420 nan 0.000 0.218 398 P C 1.248 178.559 177.300 0.017 0.000 1.148 398 P CA 0.946 64.047 63.100 0.001 0.000 0.822 398 P CB 0.025 31.726 31.700 0.002 0.000 0.784 399 Y N 1.368 121.619 120.300 -0.081 0.000 2.200 399 Y HA -0.213 4.337 4.550 0.000 0.000 0.290 399 Y C 2.037 177.892 175.900 -0.075 0.000 1.137 399 Y CA 1.755 59.817 58.100 -0.063 0.000 1.163 399 Y CB -0.472 37.873 38.460 -0.191 0.000 0.988 399 Y HN -0.092 nan 8.280 nan 0.000 0.518 400 E N 0.482 120.606 120.200 -0.128 0.000 2.031 400 E HA -0.177 4.173 4.350 0.000 0.000 0.193 400 E C 2.164 178.706 176.600 -0.097 0.000 0.994 400 E CA 1.840 58.073 56.400 -0.278 0.000 0.800 400 E CB -0.592 28.923 29.700 -0.309 0.000 0.752 400 E HN 0.486 nan 8.360 nan 0.000 0.447 401 L N 0.798 121.982 121.223 -0.065 0.000 2.131 401 L HA -0.140 4.200 4.340 0.000 0.000 0.210 401 L C 2.594 179.410 176.870 -0.089 0.000 1.092 401 L CA 1.441 56.251 54.840 -0.049 0.000 0.759 401 L CB -0.446 41.589 42.059 -0.040 0.000 0.903 401 L HN 0.217 nan 8.230 nan 0.000 0.435 402 E N -0.262 119.859 120.200 -0.132 0.000 2.216 402 E HA -0.195 4.156 4.350 0.000 0.000 0.192 402 E C 1.685 178.047 176.600 -0.396 0.000 0.988 402 E CA 0.973 57.235 56.400 -0.231 0.000 0.834 402 E CB 0.109 29.667 29.700 -0.237 0.000 0.772 402 E HN 0.581 nan 8.360 nan 0.000 0.479 403 H N -0.484 118.341 119.070 -0.408 0.000 2.595 403 H HA 0.241 4.797 4.556 0.000 0.000 0.265 403 H C -0.023 175.126 175.328 -0.298 0.000 0.953 403 H CA 0.522 56.245 56.048 -0.542 0.000 1.197 403 H CB 0.791 29.891 29.762 -1.105 0.000 1.438 403 H HN -0.031 nan 8.280 nan 0.000 0.531 404 S N 2.026 117.704 115.700 -0.036 0.000 2.608 404 S HA 0.293 4.764 4.470 0.000 0.000 0.291 404 S C -2.544 172.057 174.600 0.002 0.000 1.146 404 S CA -1.616 56.621 58.200 0.061 0.000 1.043 404 S CB 1.770 65.058 63.200 0.147 0.000 1.037 404 S HN 0.071 nan 8.310 nan 0.000 0.520 405 P HA 0.306 nan 4.420 nan 0.000 0.247 405 P C 0.740 178.040 177.300 -0.000 0.000 1.756 405 P CA 0.498 63.596 63.100 -0.004 0.000 1.117 405 P CB -0.417 31.284 31.700 0.002 0.000 1.869 406 G N 2.111 110.906 108.800 -0.009 0.000 2.697 406 G HA2 -0.081 3.879 3.960 0.000 0.000 0.240 406 G HA3 -0.081 3.879 3.960 0.000 0.000 0.240 406 G C -0.566 174.340 174.900 0.011 0.000 1.346 406 G CA -0.144 44.953 45.100 -0.004 0.000 0.887 406 G HN 0.780 nan 8.290 nan 0.000 0.569 407 V N -3.203 116.718 119.914 0.011 0.000 2.962 407 V HA 0.824 4.944 4.120 0.000 0.000 0.313 407 V C 0.173 176.276 176.094 0.015 0.000 1.099 407 V CA -0.553 61.760 62.300 0.022 0.000 0.971 407 V CB 2.045 33.879 31.823 0.019 0.000 1.028 407 V HN 1.514 nan 8.190 nan 0.000 0.430 408 V N 3.864 123.789 119.914 0.019 0.000 2.348 408 V HA 0.426 4.547 4.120 0.000 0.000 0.270 408 V C 0.400 176.497 176.094 0.005 0.000 1.037 408 V CA -0.297 62.008 62.300 0.008 0.000 0.872 408 V CB 0.340 32.165 31.823 0.005 0.000 1.002 408 V HN 0.999 nan 8.190 nan 0.000 0.464 409 E N 4.161 124.359 120.200 -0.002 0.000 2.349 409 E HA 0.442 4.792 4.350 0.000 0.000 0.265 409 E C -0.202 176.387 176.600 -0.019 0.000 1.064 409 E CA -0.465 55.929 56.400 -0.010 0.000 0.886 409 E CB 1.363 31.055 29.700 -0.014 0.000 1.036 409 E HN 0.727 nan 8.360 nan 0.000 0.413 410 Q N 2.781 122.565 119.800 -0.026 0.000 3.891 410 Q HA 0.160 4.500 4.340 0.000 0.000 0.190 410 Q C -0.440 175.527 176.000 -0.054 0.000 0.886 410 Q CA -0.059 55.719 55.803 -0.041 0.000 0.747 410 Q CB 0.012 28.734 28.738 -0.026 0.000 1.476 410 Q HN 0.785 nan 8.270 nan 0.000 0.452 411 I N -1.203 119.322 120.570 -0.075 0.000 3.956 411 I HA 0.398 4.568 4.170 0.000 0.000 0.333 411 I C -0.216 175.827 176.117 -0.124 0.000 1.302 411 I CA -0.383 60.869 61.300 -0.080 0.000 1.122 411 I CB 0.386 38.350 38.000 -0.060 0.000 1.013 411 I HN 0.311 nan 8.210 nan 0.000 0.405 412 I N 3.326 123.777 120.570 -0.198 0.000 2.301 412 I HA 0.262 4.432 4.170 0.000 0.000 0.292 412 I C 0.373 176.344 176.117 -0.243 0.000 1.046 412 I CA -0.124 60.991 61.300 -0.308 0.000 1.282 412 I CB 0.583 38.186 38.000 -0.660 0.000 1.409 412 I HN 0.154 nan 8.210 nan 0.000 0.484 413 R N 7.920 128.319 120.500 -0.168 0.000 2.531 413 R HA 0.246 4.586 4.340 0.000 0.000 0.273 413 R C -1.400 174.830 176.300 -0.117 0.000 1.070 413 R CA -1.397 54.633 56.100 -0.117 0.000 1.112 413 R CB 0.265 30.520 30.300 -0.074 0.000 1.049 413 R HN 0.387 nan 8.270 nan 0.000 0.508 414 P HA -0.141 nan 4.420 nan 0.000 0.218 414 P C 0.833 178.114 177.300 -0.032 0.000 1.149 414 P CA 1.402 64.460 63.100 -0.071 0.000 0.817 414 P CB 0.027 31.669 31.700 -0.098 0.000 0.785 415 T N -4.605 109.929 114.554 -0.033 0.000 3.148 415 T HA 0.279 4.629 4.350 0.000 0.000 0.253 415 T C 1.573 176.278 174.700 0.009 0.000 1.134 415 T CA 0.460 62.554 62.100 -0.011 0.000 1.051 415 T CB -1.223 67.635 68.868 -0.016 0.000 0.959 415 T HN 0.258 nan 8.240 nan 0.000 0.525 416 G N 1.546 110.352 108.800 0.011 0.000 2.212 416 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 416 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 416 G C 0.075 174.983 174.900 0.013 0.000 1.002 416 G CA 0.269 45.387 45.100 0.030 0.000 0.729 416 G HN 0.654 nan 8.290 nan 0.000 0.517 417 L N -0.447 120.774 121.223 -0.004 0.000 2.525 417 L HA 0.298 4.638 4.340 0.000 0.000 0.278 417 L C 1.201 178.067 176.870 -0.007 0.000 1.218 417 L CA 0.027 54.864 54.840 -0.004 0.000 0.878 417 L CB 0.355 42.409 42.059 -0.009 0.000 1.127 417 L HN 0.149 nan 8.230 nan 0.000 0.492 418 L N 1.759 122.983 121.223 0.000 0.000 2.358 418 L HA 0.395 4.735 4.340 0.000 0.000 0.268 418 L C -0.267 176.601 176.870 -0.004 0.000 1.032 418 L CA -1.051 53.788 54.840 -0.001 0.000 0.805 418 L CB 0.931 42.995 42.059 0.009 0.000 1.253 418 L HN 0.448 nan 8.230 nan 0.000 0.452 419 D N 1.978 122.373 120.400 -0.008 0.000 2.424 419 D HA 0.155 4.796 4.640 0.000 0.000 0.244 419 D C -2.150 174.150 176.300 -0.000 0.000 1.134 419 D CA -0.937 53.056 54.000 -0.011 0.000 0.881 419 D CB 0.303 41.092 40.800 -0.019 0.000 1.191 419 D HN 0.213 nan 8.370 nan 0.000 0.445 420 P HA -0.005 nan 4.420 nan 0.000 0.271 420 P C -0.096 177.224 177.300 0.033 0.000 1.244 420 P CA -0.267 62.848 63.100 0.026 0.000 0.793 420 P CB 0.184 31.890 31.700 0.010 0.000 0.984 421 T N -1.399 113.217 114.554 0.104 0.000 2.868 421 T HA 0.574 4.924 4.350 0.000 0.000 0.292 421 T C 0.340 175.066 174.700 0.042 0.000 1.028 421 T CA -0.565 61.610 62.100 0.125 0.000 1.059 421 T CB 0.165 69.155 68.868 0.203 0.000 0.991 421 T HN 0.238 nan 8.240 nan 0.000 0.531 422 I N 1.397 121.956 120.570 -0.019 0.000 2.499 422 I HA 0.358 4.528 4.170 0.000 0.000 0.288 422 I C -0.946 175.113 176.117 -0.097 0.000 1.048 422 I CA -0.992 60.214 61.300 -0.157 0.000 1.062 422 I CB 2.067 39.992 38.000 -0.125 0.000 1.238 422 I HN 0.566 nan 8.210 nan 0.000 0.426 423 D N 5.444 125.727 120.400 -0.195 0.000 2.278 423 D HA 0.446 5.087 4.640 0.000 0.000 0.245 423 D C -0.665 175.529 176.300 -0.177 0.000 1.052 423 D CA -0.198 53.741 54.000 -0.101 0.000 0.834 423 D CB 2.907 43.704 40.800 -0.006 0.000 1.194 423 D HN 0.031 nan 8.370 nan 0.000 0.481 424 V N 3.627 123.465 119.914 -0.126 0.000 2.384 424 V HA 0.477 4.597 4.120 0.000 0.000 0.287 424 V C 0.367 176.400 176.094 -0.102 0.000 1.020 424 V CA -0.586 61.632 62.300 -0.137 0.000 0.850 424 V CB 1.263 33.035 31.823 -0.085 0.000 0.987 424 V HN 0.335 nan 8.190 nan 0.000 0.436 425 R N 4.435 124.862 120.500 -0.123 0.000 2.919 425 R HA 0.614 4.954 4.340 0.000 0.000 0.260 425 R C -2.790 173.560 176.300 0.083 0.000 1.067 425 R CA -2.060 54.033 56.100 -0.012 0.000 1.003 425 R CB 1.597 31.909 30.300 0.019 0.000 1.192 425 R HN 0.374 nan 8.270 nan 0.000 0.488 426 P HA 0.003 nan 4.420 nan 0.000 0.272 426 P C 0.457 177.835 177.300 0.131 0.000 1.230 426 P CA -0.111 63.043 63.100 0.089 0.000 0.788 426 P CB 0.598 32.330 31.700 0.053 0.000 0.949 427 T N -2.097 112.501 114.554 0.072 0.000 3.014 427 T HA -0.016 4.334 4.350 0.000 0.000 0.263 427 T C 0.773 175.458 174.700 -0.026 0.000 1.078 427 T CA 0.424 62.539 62.100 0.025 0.000 1.135 427 T CB -0.272 68.605 68.868 0.015 0.000 0.895 427 T HN 0.232 nan 8.240 nan 0.000 0.480 428 K N 1.669 122.065 120.400 -0.007 0.000 2.402 428 K HA 0.342 4.662 4.320 0.000 0.000 0.285 428 K C 1.092 177.674 176.600 -0.029 0.000 1.054 428 K CA 0.728 57.004 56.287 -0.020 0.000 1.001 428 K CB -0.353 32.144 32.500 -0.005 0.000 0.946 428 K HN 0.509 nan 8.250 nan 0.000 0.473 429 G N 3.248 112.010 108.800 -0.064 0.000 2.175 429 G HA2 -0.364 3.596 3.960 0.000 0.000 0.244 429 G HA3 -0.364 3.596 3.960 0.000 0.000 0.244 429 G C 0.753 175.566 174.900 -0.144 0.000 0.982 429 G CA 0.607 45.661 45.100 -0.078 0.000 0.641 429 G HN 0.829 nan 8.290 nan 0.000 0.527 430 Q N -0.113 119.552 119.800 -0.226 0.000 2.152 430 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 430 Q C 2.434 178.097 176.000 -0.562 0.000 0.985 430 Q CA 2.016 57.504 55.803 -0.526 0.000 0.863 430 Q CB -0.310 28.038 28.738 -0.651 0.000 0.904 430 Q HN 0.515 nan 8.270 nan 0.000 0.422 431 I N 1.780 122.105 120.570 -0.408 0.000 2.193 431 I HA -0.174 3.996 4.170 0.000 0.000 0.240 431 I C 1.726 177.666 176.117 -0.294 0.000 1.084 431 I CA 1.283 62.336 61.300 -0.411 0.000 1.365 431 I CB -1.214 36.443 38.000 -0.571 0.000 1.064 431 I HN 0.231 nan 8.210 nan 0.000 0.410 432 D N 0.887 121.157 120.400 -0.216 0.000 2.144 432 D HA -0.201 4.439 4.640 0.000 0.000 0.200 432 D C 1.923 178.180 176.300 -0.073 0.000 0.978 432 D CA 1.140 55.069 54.000 -0.118 0.000 0.833 432 D CB -0.336 40.421 40.800 -0.072 0.000 0.961 432 D HN 0.400 nan 8.370 nan 0.000 0.470 433 D N 0.586 120.944 120.400 -0.069 0.000 2.104 433 D HA -0.163 4.477 4.640 0.000 0.000 0.194 433 D C 2.193 178.521 176.300 0.048 0.000 0.994 433 D CA 0.635 54.641 54.000 0.009 0.000 0.830 433 D CB 0.058 40.901 40.800 0.072 0.000 0.959 433 D HN 0.131 nan 8.370 nan 0.000 0.452 434 L N 0.703 121.921 121.223 -0.009 0.000 2.201 434 L HA -0.030 4.310 4.340 0.000 0.000 0.212 434 L C 2.262 179.143 176.870 0.018 0.000 1.105 434 L CA 1.031 55.907 54.840 0.060 0.000 0.775 434 L CB -0.349 41.685 42.059 -0.042 0.000 0.913 434 L HN 0.062 nan 8.230 nan 0.000 0.440 435 I N -0.425 120.127 120.570 -0.029 0.000 2.252 435 I HA -0.163 4.007 4.170 0.000 0.000 0.245 435 I C 2.521 178.644 176.117 0.010 0.000 1.102 435 I CA 1.197 62.489 61.300 -0.015 0.000 1.385 435 I CB -1.107 36.876 38.000 -0.028 0.000 1.064 435 I HN 0.395 nan 8.210 nan 0.000 0.414 436 G N 0.518 109.326 108.800 0.013 0.000 2.476 436 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 436 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 436 G C 1.538 176.456 174.900 0.030 0.000 1.164 436 G CA 0.670 45.783 45.100 0.021 0.000 0.768 436 G HN 0.325 nan 8.290 nan 0.000 0.560 437 E N 0.098 120.326 120.200 0.047 0.000 2.204 437 E HA -0.024 4.326 4.350 0.000 0.000 0.194 437 E C 2.544 179.173 176.600 0.049 0.000 0.989 437 E CA 0.430 56.864 56.400 0.057 0.000 0.824 437 E CB -0.002 29.753 29.700 0.091 0.000 0.756 437 E HN 0.536 nan 8.360 nan 0.000 0.477 438 I N 0.537 121.132 120.570 0.043 0.000 2.277 438 I HA -0.194 3.976 4.170 0.000 0.000 0.243 438 I C 2.599 178.734 176.117 0.030 0.000 1.094 438 I CA 0.631 61.952 61.300 0.036 0.000 1.393 438 I CB -0.129 37.889 38.000 0.030 0.000 1.078 438 I HN -0.044 nan 8.210 nan 0.000 0.417 439 R N 0.536 121.052 120.500 0.026 0.000 2.112 439 R HA -0.220 4.121 4.340 0.000 0.000 0.242 439 R C 2.246 178.558 176.300 0.021 0.000 1.137 439 R CA 1.526 57.640 56.100 0.023 0.000 0.944 439 R CB -0.445 29.867 30.300 0.020 0.000 0.857 439 R HN 0.345 nan 8.270 nan 0.000 0.435 440 E N 0.427 120.639 120.200 0.020 0.000 2.085 440 E HA -0.198 4.153 4.350 0.000 0.000 0.194 440 E C 2.035 178.645 176.600 0.016 0.000 0.994 440 E CA 1.208 57.618 56.400 0.015 0.000 0.801 440 E CB -0.054 29.653 29.700 0.013 0.000 0.743 440 E HN 0.085 nan 8.360 nan 0.000 0.453 441 R N 0.240 120.754 120.500 0.022 0.000 2.091 441 R HA -0.094 4.247 4.340 0.000 0.000 0.238 441 R C 2.392 178.704 176.300 0.021 0.000 1.136 441 R CA 0.641 56.755 56.100 0.023 0.000 0.959 441 R CB -0.958 29.360 30.300 0.030 0.000 0.856 441 R HN 0.039 nan 8.270 nan 0.000 0.437 442 V N 0.924 120.852 119.914 0.022 0.000 2.255 442 V HA -0.249 3.871 4.120 0.000 0.000 0.247 442 V C 1.983 178.086 176.094 0.016 0.000 1.051 442 V CA 1.931 64.244 62.300 0.022 0.000 1.018 442 V CB -0.302 31.535 31.823 0.024 0.000 0.641 442 V HN 0.352 nan 8.190 nan 0.000 0.445 443 E N -0.301 119.907 120.200 0.014 0.000 2.118 443 E HA -0.208 4.142 4.350 0.000 0.000 0.195 443 E C 2.256 178.861 176.600 0.008 0.000 0.992 443 E CA 0.918 57.324 56.400 0.010 0.000 0.804 443 E CB -0.305 29.400 29.700 0.009 0.000 0.741 443 E HN 0.269 nan 8.360 nan 0.000 0.458 444 R N 0.836 121.341 120.500 0.008 0.000 2.310 444 R HA 0.020 4.361 4.340 0.000 0.000 0.202 444 R C 0.062 176.366 176.300 0.008 0.000 0.933 444 R CA 0.111 56.215 56.100 0.006 0.000 1.054 444 R CB -1.150 29.153 30.300 0.005 0.000 0.985 444 R HN 0.163 nan 8.270 nan 0.000 0.489 445 N N 0.744 119.450 118.700 0.010 0.000 2.756 445 N HA -0.209 4.531 4.740 0.000 0.000 0.248 445 N C -1.518 174.000 175.510 0.013 0.000 1.062 445 N CA 0.916 53.972 53.050 0.011 0.000 0.696 445 N CB -0.732 37.759 38.487 0.007 0.000 0.946 445 N HN 0.375 nan 8.380 nan 0.000 0.548 446 E N -0.096 120.114 120.200 0.017 0.000 2.343 446 E HA 0.503 4.853 4.350 0.000 0.000 0.270 446 E C -0.496 176.119 176.600 0.026 0.000 0.895 446 E CA -1.047 55.365 56.400 0.020 0.000 0.767 446 E CB 1.084 30.795 29.700 0.019 0.000 1.248 446 E HN 0.132 nan 8.360 nan 0.000 0.440 447 R N 0.864 121.381 120.500 0.028 0.000 2.486 447 R HA 0.512 4.852 4.340 0.000 0.000 0.286 447 R C -0.356 175.961 176.300 0.028 0.000 0.999 447 R CA -0.539 55.581 56.100 0.033 0.000 0.993 447 R CB 1.174 31.496 30.300 0.038 0.000 1.084 447 R HN 0.462 nan 8.270 nan 0.000 0.487 448 T N 2.000 116.569 114.554 0.026 0.000 2.945 448 T HA 0.576 4.926 4.350 0.000 0.000 0.286 448 T C 0.098 174.799 174.700 0.001 0.000 1.025 448 T CA -0.642 61.468 62.100 0.018 0.000 1.039 448 T CB 1.164 70.045 68.868 0.022 0.000 1.068 448 T HN 0.229 nan 8.240 nan 0.000 0.497 449 L N 2.217 123.434 121.223 -0.009 0.000 2.349 449 L HA 0.633 4.973 4.340 0.000 0.000 0.278 449 L C -0.966 175.887 176.870 -0.028 0.000 0.996 449 L CA -1.000 53.822 54.840 -0.030 0.000 0.825 449 L CB 1.805 43.848 42.059 -0.026 0.000 1.243 449 L HN 0.330 nan 8.230 nan 0.000 0.412 450 V N 1.488 121.374 119.914 -0.046 0.000 2.495 450 V HA 0.525 4.645 4.120 0.000 0.000 0.298 450 V C 0.009 176.080 176.094 -0.038 0.000 1.031 450 V CA -0.480 61.803 62.300 -0.027 0.000 0.871 450 V CB 1.978 33.788 31.823 -0.023 0.000 0.988 450 V HN 0.757 nan 8.190 nan 0.000 0.432 451 T N 3.293 117.840 114.554 -0.012 0.000 2.824 451 T HA 0.693 5.044 4.350 0.000 0.000 0.282 451 T C -0.185 174.520 174.700 0.010 0.000 0.993 451 T CA -0.190 61.906 62.100 -0.007 0.000 0.967 451 T CB 1.169 70.035 68.868 -0.004 0.000 0.960 451 T HN 0.956 nan 8.240 nan 0.000 0.441 452 T N 3.036 117.597 114.554 0.012 0.000 2.927 452 T HA 0.532 4.882 4.350 0.000 0.000 0.286 452 T C 1.280 175.995 174.700 0.026 0.000 1.040 452 T CA -0.981 61.129 62.100 0.018 0.000 1.010 452 T CB 1.405 70.281 68.868 0.015 0.000 1.177 452 T HN 0.475 nan 8.240 nan 0.000 0.546 453 L N 0.632 121.870 121.223 0.026 0.000 2.084 453 L HA 0.147 4.487 4.340 0.000 0.000 0.202 453 L C 1.391 178.283 176.870 0.037 0.000 1.074 453 L CA 0.898 55.756 54.840 0.031 0.000 0.757 453 L CB -0.114 41.961 42.059 0.027 0.000 0.918 453 L HN 0.991 nan 8.230 nan 0.000 0.444 454 T N -3.468 111.105 114.554 0.032 0.000 2.882 454 T HA 0.055 4.405 4.350 0.000 0.000 0.287 454 T C 0.646 175.371 174.700 0.041 0.000 0.992 454 T CA -0.685 61.435 62.100 0.034 0.000 1.076 454 T CB 1.559 70.443 68.868 0.027 0.000 0.961 454 T HN 0.040 nan 8.240 nan 0.000 0.490 455 K N 0.484 120.912 120.400 0.048 0.000 2.574 455 K HA 0.001 4.321 4.320 0.000 0.000 0.193 455 K C 0.962 177.591 176.600 0.048 0.000 1.035 455 K CA 0.465 56.788 56.287 0.060 0.000 0.982 455 K CB 0.073 32.611 32.500 0.063 0.000 0.795 455 K HN 0.440 nan 8.250 nan 0.000 0.491 456 K N -0.748 119.674 120.400 0.036 0.000 2.425 456 K HA 0.036 4.356 4.320 0.000 0.000 0.201 456 K C 1.487 178.106 176.600 0.031 0.000 1.128 456 K CA 0.043 56.347 56.287 0.029 0.000 1.000 456 K CB 0.265 32.778 32.500 0.020 0.000 0.961 456 K HN 0.076 nan 8.250 nan 0.000 0.555 457 M N 1.515 121.133 119.600 0.030 0.000 2.349 457 M HA 0.147 4.628 4.480 0.000 0.000 0.266 457 M C 1.799 178.117 176.300 0.030 0.000 1.076 457 M CA 1.015 56.332 55.300 0.027 0.000 1.126 457 M CB -0.259 32.352 32.600 0.018 0.000 1.392 457 M HN 0.040 nan 8.290 nan 0.000 0.440 458 A N -0.201 122.639 122.820 0.033 0.000 1.872 458 A HA -0.141 4.179 4.320 0.000 0.000 0.214 458 A C 2.149 179.758 177.584 0.041 0.000 1.187 458 A CA 1.801 53.858 52.037 0.032 0.000 0.614 458 A CB -0.913 18.114 19.000 0.045 0.000 0.826 458 A HN 0.611 nan 8.150 nan 0.000 0.442 459 E N -0.313 119.917 120.200 0.049 0.000 2.070 459 E HA -0.250 4.100 4.350 0.000 0.000 0.197 459 E C 1.652 178.280 176.600 0.046 0.000 1.004 459 E CA 1.373 57.801 56.400 0.047 0.000 0.805 459 E CB -0.117 29.605 29.700 0.036 0.000 0.744 459 E HN 0.538 nan 8.360 nan 0.000 0.451 460 D N 0.123 120.553 120.400 0.051 0.000 2.108 460 D HA -0.201 4.439 4.640 0.000 0.000 0.190 460 D C 2.095 178.473 176.300 0.131 0.000 0.995 460 D CA 1.072 55.118 54.000 0.077 0.000 0.834 460 D CB -0.276 40.572 40.800 0.080 0.000 0.967 460 D HN 0.127 nan 8.370 nan 0.000 0.446 461 L N 0.695 121.978 121.223 0.101 0.000 2.017 461 L HA -0.173 4.167 4.340 0.000 0.000 0.208 461 L C 2.377 179.303 176.870 0.093 0.000 1.073 461 L CA 1.875 56.769 54.840 0.090 0.000 0.745 461 L CB -0.895 41.168 42.059 0.006 0.000 0.894 461 L HN 0.010 nan 8.230 nan 0.000 0.432 462 T N -0.175 114.411 114.554 0.053 0.000 2.570 462 T HA -0.256 4.094 4.350 0.000 0.000 0.266 462 T C 1.532 176.266 174.700 0.057 0.000 1.071 462 T CA 1.906 64.027 62.100 0.035 0.000 1.172 462 T CB -0.579 68.304 68.868 0.025 0.000 0.864 462 T HN 0.461 nan 8.240 nan 0.000 0.421 463 D N -0.292 120.142 120.400 0.057 0.000 2.182 463 D HA -0.091 4.549 4.640 0.000 0.000 0.201 463 D C 1.808 178.143 176.300 0.058 0.000 0.986 463 D CA 1.045 55.067 54.000 0.037 0.000 0.847 463 D CB -0.383 40.419 40.800 0.003 0.000 0.942 463 D HN 0.510 nan 8.370 nan 0.000 0.467 464 Y N 1.138 121.431 120.300 -0.012 0.000 2.145 464 Y HA -0.173 4.377 4.550 0.000 0.000 0.286 464 Y C 2.512 178.405 175.900 -0.012 0.000 1.145 464 Y CA 0.799 58.890 58.100 -0.015 0.000 1.148 464 Y CB -0.052 38.394 38.460 -0.024 0.000 0.981 464 Y HN -0.094 nan 8.280 nan 0.000 0.507 465 L N 0.029 121.371 121.223 0.198 0.000 2.042 465 L HA -0.279 4.061 4.340 0.000 0.000 0.210 465 L C 2.226 179.147 176.870 0.085 0.000 1.076 465 L CA 1.623 56.525 54.840 0.104 0.000 0.749 465 L CB -0.607 41.484 42.059 0.052 0.000 0.893 465 L HN 0.224 nan 8.230 nan 0.000 0.432 466 K N -0.018 120.424 120.400 0.071 0.000 2.063 466 K HA -0.218 4.103 4.320 0.000 0.000 0.208 466 K C 1.927 178.556 176.600 0.048 0.000 1.048 466 K CA 1.224 57.542 56.287 0.053 0.000 0.928 466 K CB -0.275 32.249 32.500 0.040 0.000 0.713 466 K HN 0.286 nan 8.250 nan 0.000 0.442 467 E N 0.557 120.786 120.200 0.049 0.000 2.401 467 E HA -0.120 4.230 4.350 0.000 0.000 0.199 467 E C 1.237 177.875 176.600 0.063 0.000 1.023 467 E CA 0.542 56.963 56.400 0.036 0.000 0.859 467 E CB 0.122 29.816 29.700 -0.009 0.000 0.780 467 E HN 0.353 nan 8.360 nan 0.000 0.523 468 A N -0.342 122.527 122.820 0.082 0.000 2.303 468 A HA 0.326 4.646 4.320 0.000 0.000 0.217 468 A C 1.243 178.857 177.584 0.049 0.000 1.205 468 A CA 0.693 52.773 52.037 0.071 0.000 0.875 468 A CB 0.328 19.373 19.000 0.075 0.000 0.910 468 A HN 0.233 nan 8.150 nan 0.000 0.501 469 G N -0.271 108.557 108.800 0.047 0.000 2.341 469 G HA2 -0.172 3.789 3.960 0.000 0.000 0.278 469 G HA3 -0.172 3.789 3.960 0.000 0.000 0.278 469 G C -0.292 174.634 174.900 0.044 0.000 1.111 469 G CA 0.313 45.437 45.100 0.041 0.000 0.982 469 G HN 0.427 nan 8.290 nan 0.000 0.502 470 I N -0.755 119.846 120.570 0.051 0.000 2.646 470 I HA 0.383 4.553 4.170 0.000 0.000 0.299 470 I C 0.560 176.720 176.117 0.072 0.000 1.036 470 I CA -1.032 60.301 61.300 0.054 0.000 1.074 470 I CB 1.874 39.902 38.000 0.047 0.000 1.258 470 I HN -0.007 nan 8.210 nan 0.000 0.430 471 K N 4.853 125.308 120.400 0.091 0.000 2.155 471 K HA 0.275 4.595 4.320 0.000 0.000 0.240 471 K C -0.770 175.927 176.600 0.162 0.000 1.193 471 K CA -0.264 56.115 56.287 0.153 0.000 1.104 471 K CB -0.027 32.570 32.500 0.161 0.000 1.558 471 K HN 0.304 nan 8.250 nan 0.000 0.313 472 V N 1.364 121.328 119.914 0.083 0.000 2.881 472 V HA 0.171 4.291 4.120 0.000 0.000 0.303 472 V C 1.141 177.127 176.094 -0.179 0.000 1.070 472 V CA -0.315 61.978 62.300 -0.011 0.000 1.074 472 V CB 1.212 33.027 31.823 -0.014 0.000 1.012 472 V HN 0.684 nan 8.190 nan 0.000 0.482 473 A N 2.887 125.550 122.820 -0.262 0.000 3.819 473 A HA 0.515 4.835 4.320 0.000 0.000 0.178 473 A C 0.593 178.023 177.584 -0.255 0.000 1.817 473 A CA 0.852 52.600 52.037 -0.481 0.000 1.119 473 A CB -0.335 18.422 19.000 -0.406 0.000 1.166 473 A HN 1.031 nan 8.150 nan 0.000 0.392 474 Y N -3.824 116.367 120.300 -0.182 0.000 3.267 474 Y HA 0.731 5.281 4.550 0.000 0.000 0.326 474 Y C 0.548 176.427 175.900 -0.035 0.000 1.464 474 Y CA -0.228 57.813 58.100 -0.098 0.000 0.870 474 Y CB 0.655 39.071 38.460 -0.074 0.000 1.253 474 Y HN 0.513 nan 8.280 nan 0.000 0.792 475 L N -1.404 120.167 121.223 0.580 0.000 3.094 475 L HA 0.171 4.511 4.340 0.000 0.000 0.338 475 L C -0.627 176.486 176.870 0.404 0.000 1.018 475 L CA 0.259 55.321 54.840 0.369 0.000 1.520 475 L CB -0.795 41.367 42.059 0.171 0.000 2.533 475 L HN 0.914 nan 8.230 nan 0.000 0.576 476 H N 2.339 121.484 119.070 0.126 0.000 2.955 476 H HA 0.117 4.673 4.556 0.000 0.000 0.290 476 H C 1.399 176.618 175.328 -0.181 0.000 1.047 476 H CA 0.638 56.643 56.048 -0.071 0.000 1.484 476 H CB 1.219 30.887 29.762 -0.157 0.000 1.501 476 H HN 0.449 nan 8.280 nan 0.000 0.521 477 S N 3.207 118.991 115.700 0.141 0.000 2.344 477 S HA -0.217 4.253 4.470 0.000 0.000 0.217 477 S C 0.765 175.190 174.600 -0.292 0.000 1.033 477 S CA 1.157 59.355 58.200 -0.003 0.000 1.017 477 S CB -0.263 62.992 63.200 0.093 0.000 0.941 477 S HN 0.863 nan 8.310 nan 0.000 0.430 478 E N 1.921 121.880 120.200 -0.402 0.000 2.028 478 E HA 0.341 4.691 4.350 0.000 0.000 0.275 478 E C -0.650 175.458 176.600 -0.820 0.000 1.171 478 E CA -0.566 55.573 56.400 -0.435 0.000 1.186 478 E CB -0.428 29.198 29.700 -0.123 0.000 1.256 478 E HN 0.591 nan 8.360 nan 0.000 0.474 479 I N 0.343 120.446 120.570 -0.778 0.000 3.585 479 I HA 0.224 4.394 4.170 0.000 0.000 0.325 479 I C -0.079 175.880 176.117 -0.263 0.000 1.370 479 I CA -1.016 59.942 61.300 -0.571 0.000 1.298 479 I CB -1.369 36.308 38.000 -0.539 0.000 1.387 479 I HN 0.185 nan 8.210 nan 0.000 0.466 480 K N 0.145 120.431 120.400 -0.190 0.000 1.399 480 K HA -0.194 4.126 4.320 0.000 0.000 0.733 480 K C 0.703 177.255 176.600 -0.080 0.000 1.997 480 K CA 1.265 57.496 56.287 -0.094 0.000 1.105 480 K CB -1.830 30.636 32.500 -0.056 0.000 2.031 480 K HN 0.340 nan 8.250 nan 0.000 0.456 481 T N -0.329 114.201 114.554 -0.040 0.000 2.992 481 T HA 0.241 4.592 4.350 0.000 0.000 0.255 481 T C 1.612 176.310 174.700 -0.004 0.000 0.938 481 T CA 0.524 62.613 62.100 -0.019 0.000 0.895 481 T CB 0.308 69.174 68.868 -0.003 0.000 1.221 481 T HN 0.370 nan 8.240 nan 0.000 0.512 482 L N 0.727 121.947 121.223 -0.004 0.000 2.298 482 L HA 0.439 4.779 4.340 0.000 0.000 0.209 482 L C 2.288 179.163 176.870 0.009 0.000 1.084 482 L CA 0.852 55.696 54.840 0.007 0.000 0.816 482 L CB -0.254 41.810 42.059 0.008 0.000 0.967 482 L HN 0.076 nan 8.230 nan 0.000 0.460 483 E N 0.270 120.468 120.200 -0.004 0.000 2.447 483 E HA -0.029 4.321 4.350 0.000 0.000 0.195 483 E C 2.041 178.646 176.600 0.008 0.000 1.028 483 E CA -0.067 56.335 56.400 0.004 0.000 0.876 483 E CB 0.382 30.076 29.700 -0.010 0.000 0.885 483 E HN 0.324 nan 8.360 nan 0.000 0.500 484 R N 0.453 120.949 120.500 -0.006 0.000 2.056 484 R HA -0.054 4.286 4.340 0.000 0.000 0.227 484 R C 2.402 178.735 176.300 0.055 0.000 1.149 484 R CA 0.807 56.917 56.100 0.015 0.000 0.937 484 R CB -0.594 29.704 30.300 -0.004 0.000 0.835 484 R HN 0.198 nan 8.270 nan 0.000 0.430 485 I N 1.759 122.354 120.570 0.041 0.000 2.399 485 I HA -0.234 3.936 4.170 0.000 0.000 0.254 485 I C 1.969 178.119 176.117 0.054 0.000 1.146 485 I CA 1.447 62.774 61.300 0.046 0.000 1.412 485 I CB -0.056 37.964 38.000 0.033 0.000 1.076 485 I HN 0.208 nan 8.210 nan 0.000 0.432 486 E N -0.158 120.076 120.200 0.055 0.000 2.511 486 E HA -0.048 4.302 4.350 0.000 0.000 0.196 486 E C 1.836 178.499 176.600 0.106 0.000 1.066 486 E CA 0.500 56.938 56.400 0.064 0.000 0.871 486 E CB 0.213 29.944 29.700 0.052 0.000 0.863 486 E HN 0.586 nan 8.360 nan 0.000 0.520 487 I N -0.773 119.880 120.570 0.138 0.000 4.124 487 I HA -0.042 4.128 4.170 0.000 0.000 0.311 487 I C 1.897 178.147 176.117 0.223 0.000 1.259 487 I CA 0.004 61.446 61.300 0.236 0.000 1.315 487 I CB 0.283 38.430 38.000 0.246 0.000 1.223 487 I HN 0.015 nan 8.210 nan 0.000 0.441 488 I N 1.243 121.903 120.570 0.150 0.000 2.076 488 I HA -0.345 3.825 4.170 0.000 0.000 0.237 488 I C 2.718 178.892 176.117 0.095 0.000 1.059 488 I CA 1.720 63.089 61.300 0.114 0.000 1.317 488 I CB -0.238 37.812 38.000 0.084 0.000 1.037 488 I HN 0.121 nan 8.210 nan 0.000 0.398 489 R N 0.811 121.355 120.500 0.073 0.000 2.113 489 R HA -0.249 4.091 4.340 0.000 0.000 0.244 489 R C 1.948 178.269 176.300 0.036 0.000 1.142 489 R CA 2.297 58.425 56.100 0.046 0.000 0.953 489 R CB -0.364 29.958 30.300 0.037 0.000 0.860 489 R HN 0.360 nan 8.270 nan 0.000 0.438 490 D N 0.053 120.482 120.400 0.049 0.000 2.123 490 D HA -0.185 4.455 4.640 0.000 0.000 0.196 490 D C 1.806 178.091 176.300 -0.024 0.000 0.992 490 D CA 1.177 55.162 54.000 -0.025 0.000 0.833 490 D CB -0.235 40.556 40.800 -0.015 0.000 0.954 490 D HN 0.219 nan 8.370 nan 0.000 0.455 491 L N 1.322 122.621 121.223 0.128 0.000 2.072 491 L HA -0.075 4.265 4.340 0.000 0.000 0.205 491 L C 1.603 178.511 176.870 0.064 0.000 1.079 491 L CA 1.397 56.327 54.840 0.149 0.000 0.752 491 L CB -0.238 41.928 42.059 0.179 0.000 0.906 491 L HN -0.054 nan 8.230 nan 0.000 0.436 492 R N -0.672 119.856 120.500 0.048 0.000 2.823 492 R HA 0.116 4.456 4.340 0.000 0.000 0.250 492 R C 0.716 177.021 176.300 0.010 0.000 1.332 492 R CA 0.391 56.508 56.100 0.028 0.000 1.259 492 R CB -0.392 29.925 30.300 0.028 0.000 1.225 492 R HN 0.457 nan 8.270 nan 0.000 0.545 493 L N -1.433 119.788 121.223 -0.005 0.000 3.467 493 L HA 0.302 4.643 4.340 0.000 0.000 0.315 493 L C 0.724 177.574 176.870 -0.033 0.000 1.184 493 L CA 0.544 55.371 54.840 -0.021 0.000 1.124 493 L CB 0.977 43.017 42.059 -0.033 0.000 1.585 493 L HN 0.610 nan 8.230 nan 0.000 0.617 494 G N 0.260 109.040 108.800 -0.033 0.000 2.184 494 G HA2 -0.247 3.713 3.960 0.000 0.000 0.206 494 G HA3 -0.247 3.713 3.960 0.000 0.000 0.206 494 G C 0.969 175.818 174.900 -0.084 0.000 0.995 494 G CA 0.364 45.442 45.100 -0.036 0.000 0.651 494 G HN 0.175 nan 8.290 nan 0.000 0.511 495 K N -0.650 119.642 120.400 -0.180 0.000 1.991 495 K HA -0.035 4.285 4.320 0.000 0.000 0.212 495 K C 0.748 177.107 176.600 -0.402 0.000 1.049 495 K CA 1.555 57.607 56.287 -0.392 0.000 0.932 495 K CB -0.099 31.988 32.500 -0.688 0.000 0.717 495 K HN 0.556 nan 8.250 nan 0.000 0.441 496 Y N -0.130 120.183 120.300 0.021 0.000 2.549 496 Y HA 0.144 4.694 4.550 0.000 0.000 0.339 496 Y C 0.964 176.872 175.900 0.013 0.000 1.053 496 Y CA -1.131 56.980 58.100 0.019 0.000 1.105 496 Y CB 1.352 39.825 38.460 0.022 0.000 1.258 496 Y HN -0.084 nan 8.280 nan 0.000 0.478 497 D N 0.100 120.603 120.400 0.172 0.000 2.431 497 D HA 0.096 4.736 4.640 0.000 0.000 0.235 497 D C 0.106 176.451 176.300 0.076 0.000 0.980 497 D CA 0.873 54.930 54.000 0.095 0.000 0.912 497 D CB 0.569 41.410 40.800 0.067 0.000 1.056 497 D HN 0.166 nan 8.370 nan 0.000 0.494 498 V N 1.051 121.005 119.914 0.066 0.000 3.093 498 V HA 0.514 4.634 4.120 0.000 0.000 0.320 498 V C -0.306 175.774 176.094 -0.023 0.000 1.093 498 V CA -0.812 61.499 62.300 0.018 0.000 1.016 498 V CB 2.753 34.578 31.823 0.004 0.000 1.096 498 V HN 0.035 nan 8.190 nan 0.000 0.452 499 L N 2.139 123.316 121.223 -0.077 0.000 2.580 499 L HA 0.578 4.918 4.340 0.000 0.000 0.266 499 L C -1.486 175.244 176.870 -0.234 0.000 0.955 499 L CA -0.348 54.383 54.840 -0.181 0.000 0.886 499 L CB 1.822 43.794 42.059 -0.146 0.000 1.263 499 L HN 0.451 nan 8.230 nan 0.000 0.406 500 V N 4.070 123.789 119.914 -0.324 0.000 2.394 500 V HA 0.888 5.008 4.120 0.000 0.000 0.282 500 V C 0.613 176.450 176.094 -0.429 0.000 1.031 500 V CA -0.043 62.096 62.300 -0.268 0.000 0.881 500 V CB 1.014 32.746 31.823 -0.153 0.000 0.982 500 V HN 0.852 nan 8.190 nan 0.000 0.451 501 G N 2.614 111.266 108.800 -0.246 0.000 2.725 501 G HA2 0.643 4.603 3.960 0.000 0.000 0.288 501 G HA3 0.643 4.603 3.960 0.000 0.000 0.288 501 G C -0.200 174.702 174.900 0.002 0.000 1.399 501 G CA -0.501 44.520 45.100 -0.133 0.000 0.859 501 G HN 0.437 nan 8.290 nan 0.000 0.479 502 I N -0.323 120.292 120.570 0.076 0.000 2.729 502 I HA 0.192 4.363 4.170 0.000 0.000 0.256 502 I C 0.710 176.865 176.117 0.063 0.000 1.115 502 I CA 0.279 61.619 61.300 0.067 0.000 1.446 502 I CB 0.206 38.257 38.000 0.085 0.000 1.176 502 I HN 0.352 nan 8.210 nan 0.000 0.446 503 N N 1.126 119.875 118.700 0.082 0.000 2.501 503 N HA 0.262 5.002 4.740 0.000 0.000 0.245 503 N C 0.164 175.717 175.510 0.071 0.000 0.974 503 N CA 0.037 53.137 53.050 0.082 0.000 0.941 503 N CB 1.094 39.641 38.487 0.100 0.000 1.122 503 N HN 0.114 nan 8.380 nan 0.000 0.507 504 L N 3.170 124.422 121.223 0.048 0.000 2.558 504 L HA 0.172 4.512 4.340 0.000 0.000 0.225 504 L C 1.548 178.447 176.870 0.049 0.000 1.128 504 L CA 0.258 55.119 54.840 0.035 0.000 0.868 504 L CB 0.110 42.175 42.059 0.010 0.000 1.006 504 L HN 0.481 nan 8.230 nan 0.000 0.454 505 L N -0.223 121.040 121.223 0.068 0.000 2.610 505 L HA 0.007 4.347 4.340 0.000 0.000 0.232 505 L C 0.816 177.742 176.870 0.093 0.000 1.149 505 L CA 0.120 55.011 54.840 0.085 0.000 0.872 505 L CB -0.586 41.541 42.059 0.112 0.000 0.992 505 L HN 0.210 nan 8.230 nan 0.000 0.447 506 R N 2.869 123.420 120.500 0.084 0.000 2.457 506 R HA 0.005 4.345 4.340 0.000 0.000 0.335 506 R C 0.213 176.556 176.300 0.071 0.000 1.003 506 R CA -0.060 56.087 56.100 0.079 0.000 1.003 506 R CB -0.028 30.320 30.300 0.080 0.000 0.950 506 R HN 0.273 nan 8.270 nan 0.000 0.428 507 E N 1.947 122.190 120.200 0.071 0.000 2.708 507 E HA -0.087 4.263 4.350 0.000 0.000 0.260 507 E C 0.857 177.488 176.600 0.052 0.000 0.937 507 E CA 0.857 57.294 56.400 0.062 0.000 0.953 507 E CB 0.222 29.955 29.700 0.055 0.000 0.915 507 E HN 0.893 nan 8.360 nan 0.000 0.487 508 G N 2.536 111.365 108.800 0.049 0.000 2.154 508 G HA2 -0.246 3.714 3.960 0.000 0.000 0.186 508 G HA3 -0.246 3.714 3.960 0.000 0.000 0.186 508 G C 0.453 175.381 174.900 0.046 0.000 1.000 508 G CA 0.064 45.191 45.100 0.045 0.000 0.664 508 G HN 0.478 nan 8.290 nan 0.000 0.513 509 L N 0.553 121.804 121.223 0.046 0.000 2.640 509 L HA 0.292 4.632 4.340 0.000 0.000 0.230 509 L C 0.473 177.362 176.870 0.032 0.000 1.123 509 L CA -0.358 54.507 54.840 0.040 0.000 0.900 509 L CB 0.232 42.314 42.059 0.039 0.000 1.146 509 L HN 0.033 nan 8.230 nan 0.000 0.484 510 D N 1.820 122.239 120.400 0.031 0.000 2.389 510 D HA 0.211 4.851 4.640 0.000 0.000 0.263 510 D C -0.234 176.079 176.300 0.021 0.000 1.255 510 D CA 0.990 55.004 54.000 0.024 0.000 0.914 510 D CB 0.554 41.368 40.800 0.024 0.000 1.116 510 D HN 0.091 nan 8.370 nan 0.000 0.502 511 I N 4.596 125.177 120.570 0.018 0.000 2.529 511 I HA 0.120 4.290 4.170 0.000 0.000 0.284 511 I C -1.785 174.340 176.117 0.014 0.000 1.088 511 I CA -1.948 59.363 61.300 0.019 0.000 1.062 511 I CB 2.739 40.753 38.000 0.024 0.000 1.218 511 I HN 0.032 nan 8.210 nan 0.000 0.442 512 P HA -0.129 nan 4.420 nan 0.000 0.219 512 P C 0.776 178.082 177.300 0.011 0.000 1.146 512 P CA 1.211 64.316 63.100 0.009 0.000 0.808 512 P CB 0.299 32.002 31.700 0.005 0.000 0.779 513 E N -1.241 118.967 120.200 0.014 0.000 2.427 513 E HA 0.008 4.359 4.350 0.000 0.000 0.196 513 E C 0.339 176.950 176.600 0.019 0.000 1.028 513 E CA 0.178 56.587 56.400 0.016 0.000 0.864 513 E CB -0.401 29.309 29.700 0.017 0.000 0.813 513 E HN 0.044 nan 8.360 nan 0.000 0.514 514 V N 1.687 121.612 119.914 0.019 0.000 2.455 514 V HA 0.051 4.171 4.120 0.000 0.000 0.273 514 V C 1.070 177.175 176.094 0.019 0.000 1.045 514 V CA 0.723 63.034 62.300 0.019 0.000 0.976 514 V CB 1.305 33.137 31.823 0.015 0.000 0.993 514 V HN 0.285 nan 8.190 nan 0.000 0.475 515 S N 5.159 120.874 115.700 0.025 0.000 2.559 515 S HA 0.298 4.768 4.470 0.000 0.000 0.226 515 S C -0.188 174.441 174.600 0.048 0.000 1.030 515 S CA -0.118 58.102 58.200 0.033 0.000 0.956 515 S CB 0.399 63.617 63.200 0.030 0.000 0.900 515 S HN 0.425 nan 8.310 nan 0.000 0.510 516 L N 1.661 122.907 121.223 0.039 0.000 2.370 516 L HA 0.818 5.159 4.340 0.000 0.000 0.266 516 L C -1.578 175.296 176.870 0.007 0.000 1.002 516 L CA -0.799 54.065 54.840 0.040 0.000 0.818 516 L CB 2.261 44.353 42.059 0.055 0.000 1.325 516 L HN 0.034 nan 8.230 nan 0.000 0.418 517 V N 4.262 124.161 119.914 -0.025 0.000 2.509 517 V HA 0.723 4.843 4.120 0.000 0.000 0.289 517 V C -0.194 175.866 176.094 -0.057 0.000 1.026 517 V CA -0.423 61.855 62.300 -0.038 0.000 0.872 517 V CB 1.463 33.257 31.823 -0.049 0.000 1.017 517 V HN 0.996 nan 8.190 nan 0.000 0.436 518 A N 6.580 129.394 122.820 -0.011 0.000 2.309 518 A HA 0.860 5.180 4.320 0.000 0.000 0.298 518 A C -0.448 177.149 177.584 0.023 0.000 1.165 518 A CA -0.287 51.764 52.037 0.023 0.000 0.821 518 A CB 0.386 19.476 19.000 0.149 0.000 1.102 518 A HN 0.769 nan 8.150 nan 0.000 0.500 519 I N 3.628 124.202 120.570 0.007 0.000 2.390 519 I HA 0.169 4.340 4.170 0.000 0.000 0.283 519 I C 0.425 176.595 176.117 0.089 0.000 1.016 519 I CA -0.142 61.166 61.300 0.014 0.000 1.151 519 I CB 1.548 39.525 38.000 -0.039 0.000 1.293 519 I HN 0.688 nan 8.210 nan 0.000 0.458 520 L N 4.276 125.561 121.223 0.103 0.000 2.341 520 L HA 0.075 4.416 4.340 0.000 0.000 0.214 520 L C 0.380 177.303 176.870 0.088 0.000 1.115 520 L CA 1.210 56.129 54.840 0.131 0.000 0.820 520 L CB 0.093 42.181 42.059 0.049 0.000 0.944 520 L HN 0.584 nan 8.230 nan 0.000 0.452 521 D N -0.634 119.796 120.400 0.050 0.000 2.613 521 D HA 0.235 4.875 4.640 0.000 0.000 0.312 521 D C 0.946 177.258 176.300 0.020 0.000 1.202 521 D CA 0.166 54.186 54.000 0.034 0.000 0.825 521 D CB 1.413 42.226 40.800 0.022 0.000 1.113 521 D HN 0.052 nan 8.370 nan 0.000 0.502 522 A N 1.345 124.178 122.820 0.021 0.000 1.940 522 A HA -0.203 4.117 4.320 0.000 0.000 0.219 522 A C 1.553 179.128 177.584 -0.015 0.000 1.176 522 A CA 1.425 53.458 52.037 -0.008 0.000 0.631 522 A CB -0.062 18.922 19.000 -0.026 0.000 0.814 522 A HN 0.310 nan 8.150 nan 0.000 0.446 523 D N -0.809 119.588 120.400 -0.005 0.000 2.325 523 D HA 0.076 4.717 4.640 0.000 0.000 0.234 523 D C -0.079 176.218 176.300 -0.004 0.000 1.122 523 D CA 0.030 54.025 54.000 -0.009 0.000 0.850 523 D CB -0.027 40.770 40.800 -0.005 0.000 0.921 523 D HN 0.021 nan 8.370 nan 0.000 0.513 524 K N 1.814 122.214 120.400 -0.001 0.000 2.118 524 K HA 0.162 4.482 4.320 0.000 0.000 0.267 524 K C 0.937 177.538 176.600 0.001 0.000 0.991 524 K CA -0.458 55.831 56.287 0.003 0.000 0.916 524 K CB 1.175 33.681 32.500 0.009 0.000 1.041 524 K HN 0.274 nan 8.250 nan 0.000 0.455 525 E N 0.815 121.018 120.200 0.006 0.000 2.398 525 E HA 0.421 4.772 4.350 0.000 0.000 0.263 525 E C 0.304 176.917 176.600 0.021 0.000 1.046 525 E CA -0.467 55.939 56.400 0.010 0.000 0.908 525 E CB 0.451 30.159 29.700 0.013 0.000 0.963 525 E HN 0.620 nan 8.360 nan 0.000 0.431 526 G N 1.090 109.909 108.800 0.031 0.000 2.350 526 G HA2 0.021 3.981 3.960 0.000 0.000 0.305 526 G HA3 0.021 3.981 3.960 0.000 0.000 0.305 526 G C -0.617 174.327 174.900 0.073 0.000 1.479 526 G CA -0.412 44.726 45.100 0.062 0.000 0.949 526 G HN 0.417 nan 8.290 nan 0.000 0.651 527 F N 0.614 120.563 119.950 -0.001 0.000 2.113 527 F HA 0.227 4.754 4.527 0.000 0.000 0.297 527 F C 2.205 178.007 175.800 0.003 0.000 1.103 527 F CA 1.523 59.522 58.000 -0.001 0.000 1.248 527 F CB -0.030 38.968 39.000 -0.003 0.000 0.999 527 F HN 0.258 nan 8.300 nan 0.000 0.475 528 L N 0.195 121.399 121.223 -0.032 0.000 2.675 528 L HA -0.033 4.307 4.340 0.000 0.000 0.238 528 L C 0.906 177.707 176.870 -0.114 0.000 1.155 528 L CA 0.471 55.252 54.840 -0.099 0.000 0.881 528 L CB -0.385 41.711 42.059 0.060 0.000 1.008 528 L HN 0.053 nan 8.230 nan 0.000 0.443 529 R N -0.991 119.442 120.500 -0.113 0.000 2.596 529 R HA 0.131 4.472 4.340 0.000 0.000 0.369 529 R C 0.609 176.841 176.300 -0.114 0.000 1.042 529 R CA -0.193 55.854 56.100 -0.088 0.000 1.120 529 R CB 0.098 30.372 30.300 -0.044 0.000 1.353 529 R HN 0.186 nan 8.270 nan 0.000 0.564 530 S N -0.927 114.660 115.700 -0.188 0.000 2.624 530 S HA 0.057 4.527 4.470 0.000 0.000 0.263 530 S C 1.342 175.849 174.600 -0.155 0.000 1.287 530 S CA -0.336 57.760 58.200 -0.175 0.000 0.990 530 S CB 1.462 64.509 63.200 -0.255 0.000 0.950 530 S HN 0.372 nan 8.310 nan 0.000 0.561 531 E N 1.361 121.489 120.200 -0.120 0.000 2.033 531 E HA -0.284 4.067 4.350 0.000 0.000 0.199 531 E C 2.035 178.560 176.600 -0.125 0.000 1.011 531 E CA 1.341 57.678 56.400 -0.104 0.000 0.815 531 E CB -0.286 29.366 29.700 -0.081 0.000 0.755 531 E HN 0.738 nan 8.360 nan 0.000 0.451 532 R N 0.194 120.608 120.500 -0.143 0.000 2.081 532 R HA -0.057 4.284 4.340 0.000 0.000 0.235 532 R C 2.766 178.957 176.300 -0.182 0.000 1.131 532 R CA 1.534 57.537 56.100 -0.162 0.000 0.960 532 R CB -0.203 30.013 30.300 -0.140 0.000 0.856 532 R HN 0.149 nan 8.270 nan 0.000 0.436 533 S N 1.043 116.596 115.700 -0.245 0.000 2.368 533 S HA -0.056 4.414 4.470 0.000 0.000 0.224 533 S C 1.952 176.463 174.600 -0.147 0.000 1.029 533 S CA 0.924 58.979 58.200 -0.241 0.000 0.988 533 S CB -0.131 62.834 63.200 -0.393 0.000 0.838 533 S HN 0.195 nan 8.310 nan 0.000 0.462 534 L N 1.024 122.166 121.223 -0.136 0.000 2.017 534 L HA -0.122 4.218 4.340 0.000 0.000 0.208 534 L C 2.218 179.034 176.870 -0.090 0.000 1.073 534 L CA 1.247 56.026 54.840 -0.101 0.000 0.745 534 L CB -0.613 41.389 42.059 -0.095 0.000 0.894 534 L HN 0.304 nan 8.230 nan 0.000 0.432 535 I N -0.728 119.784 120.570 -0.096 0.000 2.208 535 I HA -0.316 3.854 4.170 0.000 0.000 0.245 535 I C 2.725 178.795 176.117 -0.077 0.000 1.097 535 I CA 1.192 62.440 61.300 -0.087 0.000 1.363 535 I CB -0.362 37.579 38.000 -0.097 0.000 1.051 535 I HN 0.389 nan 8.210 nan 0.000 0.413 536 Q N 0.134 119.885 119.800 -0.081 0.000 2.170 536 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 536 Q C 2.271 178.253 176.000 -0.030 0.000 0.976 536 Q CA 2.000 57.773 55.803 -0.050 0.000 0.858 536 Q CB -0.409 28.314 28.738 -0.025 0.000 0.907 536 Q HN 0.553 nan 8.270 nan 0.000 0.433 537 T N 1.033 115.562 114.554 -0.041 0.000 2.896 537 T HA 0.012 4.362 4.350 0.000 0.000 0.263 537 T C 2.055 176.730 174.700 -0.041 0.000 1.050 537 T CA 0.424 62.504 62.100 -0.033 0.000 1.140 537 T CB -0.123 68.720 68.868 -0.043 0.000 0.877 537 T HN 0.122 nan 8.240 nan 0.000 0.457 538 I N 1.828 122.365 120.570 -0.054 0.000 2.248 538 I HA -0.142 4.028 4.170 0.000 0.000 0.248 538 I C 2.734 178.826 176.117 -0.043 0.000 1.107 538 I CA 1.347 62.611 61.300 -0.059 0.000 1.373 538 I CB -0.514 37.446 38.000 -0.066 0.000 1.055 538 I HN 0.336 nan 8.210 nan 0.000 0.418 539 G N 0.167 108.946 108.800 -0.035 0.000 2.586 539 G HA2 -0.185 3.775 3.960 0.000 0.000 0.215 539 G HA3 -0.185 3.775 3.960 0.000 0.000 0.215 539 G C 1.495 176.388 174.900 -0.012 0.000 1.128 539 G CA 0.175 45.261 45.100 -0.023 0.000 0.774 539 G HN 0.164 nan 8.290 nan 0.000 0.543 540 R N 0.350 120.842 120.500 -0.013 0.000 2.313 540 R HA 0.273 4.614 4.340 0.000 0.000 0.199 540 R C 1.739 178.036 176.300 -0.005 0.000 0.958 540 R CA 0.417 56.514 56.100 -0.004 0.000 1.047 540 R CB -0.258 30.040 30.300 -0.002 0.000 0.955 540 R HN 0.313 nan 8.270 nan 0.000 0.481 541 A N -0.332 122.482 122.820 -0.011 0.000 2.508 541 A HA 0.426 4.746 4.320 0.000 0.000 0.257 541 A C 1.333 178.917 177.584 0.001 0.000 1.226 541 A CA 0.278 52.312 52.037 -0.004 0.000 0.947 541 A CB 0.378 19.370 19.000 -0.013 0.000 1.079 541 A HN 0.118 nan 8.150 nan 0.000 0.531 542 A N -0.481 122.337 122.820 -0.004 0.000 2.337 542 A HA 0.246 4.566 4.320 0.000 0.000 0.227 542 A C 1.539 179.121 177.584 -0.003 0.000 1.259 542 A CA -0.002 52.032 52.037 -0.004 0.000 0.870 542 A CB -0.179 18.815 19.000 -0.011 0.000 0.927 542 A HN 0.189 nan 8.150 nan 0.000 0.497 543 R N 0.107 120.607 120.500 0.000 0.000 2.397 543 R HA 0.179 4.520 4.340 0.000 0.000 0.241 543 R C -0.314 175.987 176.300 0.002 0.000 0.914 543 R CA 0.065 56.165 56.100 -0.000 0.000 1.071 543 R CB 0.045 30.347 30.300 0.003 0.000 1.116 543 R HN 0.546 nan 8.270 nan 0.000 0.524 544 N N -0.564 118.140 118.700 0.005 0.000 2.225 544 N HA 0.192 4.932 4.740 0.000 0.000 0.298 544 N C 0.013 175.529 175.510 0.010 0.000 1.076 544 N CA 0.034 53.089 53.050 0.008 0.000 0.792 544 N CB 2.235 40.730 38.487 0.012 0.000 1.498 544 N HN -0.097 nan 8.380 nan 0.000 0.474 545 A N 2.561 125.385 122.820 0.008 0.000 2.067 545 A HA -0.046 4.274 4.320 0.000 0.000 0.219 545 A C 0.857 178.447 177.584 0.009 0.000 1.158 545 A CA 0.932 52.974 52.037 0.008 0.000 0.661 545 A CB -0.182 18.821 19.000 0.005 0.000 0.801 545 A HN 0.747 nan 8.150 nan 0.000 0.452 546 N N 0.534 119.241 118.700 0.011 0.000 2.279 546 N HA 0.098 4.838 4.740 0.000 0.000 0.226 546 N C 0.656 176.187 175.510 0.035 0.000 1.126 546 N CA 0.469 53.526 53.050 0.012 0.000 0.846 546 N CB 0.320 38.809 38.487 0.003 0.000 1.050 546 N HN 0.357 nan 8.380 nan 0.000 0.502 547 G N 0.667 109.491 108.800 0.040 0.000 2.178 547 G HA2 -0.041 3.919 3.960 0.000 0.000 0.244 547 G HA3 -0.041 3.919 3.960 0.000 0.000 0.244 547 G C -0.479 174.492 174.900 0.119 0.000 1.213 547 G CA 0.655 45.789 45.100 0.056 0.000 0.912 547 G HN 0.360 nan 8.290 nan 0.000 0.474 548 H N 0.543 119.601 119.070 -0.021 0.000 2.895 548 H HA 0.618 5.174 4.556 0.000 0.000 0.373 548 H C -1.161 174.143 175.328 -0.040 0.000 1.174 548 H CA -0.673 55.357 56.048 -0.030 0.000 1.144 548 H CB 2.252 31.997 29.762 -0.029 0.000 1.793 548 H HN 0.354 nan 8.280 nan 0.000 0.551 549 V N 5.717 125.244 119.914 -0.645 0.000 2.531 549 V HA 0.356 4.477 4.120 0.000 0.000 0.301 549 V C -0.259 175.464 176.094 -0.617 0.000 1.034 549 V CA -0.616 61.407 62.300 -0.462 0.000 0.865 549 V CB 1.490 33.158 31.823 -0.258 0.000 0.995 549 V HN 0.618 nan 8.190 nan 0.000 0.424 550 I N 5.294 125.605 120.570 -0.430 0.000 2.355 550 I HA 0.458 4.628 4.170 0.000 0.000 0.288 550 I C -0.241 175.601 176.117 -0.458 0.000 0.999 550 I CA -0.311 60.711 61.300 -0.464 0.000 1.163 550 I CB 1.633 39.357 38.000 -0.460 0.000 1.316 550 I HN 0.465 nan 8.210 nan 0.000 0.454 551 M N 6.441 125.789 119.600 -0.420 0.000 2.061 551 M HA 0.364 4.844 4.480 0.000 0.000 0.346 551 M C -1.220 174.861 176.300 -0.364 0.000 1.112 551 M CA -0.400 54.722 55.300 -0.297 0.000 1.021 551 M CB 0.747 33.240 32.600 -0.178 0.000 1.530 551 M HN 0.347 nan 8.290 nan 0.000 0.437 552 Y N 2.662 122.934 120.300 -0.047 0.000 2.327 552 Y HA 0.683 5.234 4.550 0.000 0.000 0.336 552 Y C 0.302 176.182 175.900 -0.033 0.000 1.035 552 Y CA -0.374 57.703 58.100 -0.038 0.000 1.165 552 Y CB 0.977 39.414 38.460 -0.039 0.000 1.181 552 Y HN 0.733 nan 8.280 nan 0.000 0.494 553 A N 2.045 124.927 122.820 0.104 0.000 2.586 553 A HA 0.386 4.706 4.320 0.000 0.000 0.291 553 A C -0.576 177.030 177.584 0.036 0.000 1.062 553 A CA -0.795 51.273 52.037 0.051 0.000 0.666 553 A CB 1.023 20.030 19.000 0.012 0.000 1.281 553 A HN 0.599 nan 8.150 nan 0.000 0.421 554 D N 0.161 120.574 120.400 0.022 0.000 2.338 554 D HA 0.142 4.783 4.640 0.000 0.000 0.208 554 D C 0.800 177.104 176.300 0.006 0.000 0.997 554 D CA 2.021 56.030 54.000 0.015 0.000 0.880 554 D CB 0.628 41.435 40.800 0.012 0.000 0.980 554 D HN 0.845 nan 8.370 nan 0.000 0.509 555 T N -1.831 112.724 114.554 0.002 0.000 2.883 555 T HA 0.498 4.848 4.350 0.000 0.000 0.296 555 T C -0.447 174.246 174.700 -0.011 0.000 1.117 555 T CA -0.834 61.263 62.100 -0.004 0.000 1.006 555 T CB 2.111 70.977 68.868 -0.005 0.000 1.191 555 T HN -0.242 nan 8.240 nan 0.000 0.508 556 I N 3.811 124.372 120.570 -0.015 0.000 2.276 556 I HA 0.231 4.401 4.170 0.000 0.000 0.290 556 I C 1.596 177.700 176.117 -0.021 0.000 1.109 556 I CA -0.343 60.945 61.300 -0.021 0.000 1.229 556 I CB -0.446 37.540 38.000 -0.023 0.000 1.452 556 I HN 1.026 nan 8.210 nan 0.000 0.497 557 T N 2.297 116.838 114.554 -0.023 0.000 2.640 557 T HA 0.063 4.413 4.350 0.000 0.000 0.316 557 T C 1.257 175.941 174.700 -0.027 0.000 1.036 557 T CA -0.111 61.976 62.100 -0.023 0.000 1.009 557 T CB 1.463 70.317 68.868 -0.024 0.000 1.017 557 T HN 0.424 nan 8.240 nan 0.000 0.530 558 K N 0.082 120.466 120.400 -0.026 0.000 2.103 558 K HA 0.037 4.357 4.320 0.000 0.000 0.204 558 K C 2.687 179.265 176.600 -0.036 0.000 1.052 558 K CA 1.314 57.584 56.287 -0.029 0.000 0.945 558 K CB -0.695 31.790 32.500 -0.026 0.000 0.722 558 K HN 0.575 nan 8.250 nan 0.000 0.443 559 S N 0.350 116.026 115.700 -0.040 0.000 2.359 559 S HA -0.167 4.303 4.470 0.000 0.000 0.224 559 S C 1.864 176.431 174.600 -0.055 0.000 1.035 559 S CA 1.723 59.892 58.200 -0.052 0.000 1.018 559 S CB -0.221 62.944 63.200 -0.059 0.000 0.876 559 S HN 0.274 nan 8.310 nan 0.000 0.448 560 M N 0.840 120.411 119.600 -0.049 0.000 2.099 560 M HA -0.084 4.396 4.480 0.000 0.000 0.262 560 M C 2.341 178.612 176.300 -0.048 0.000 1.067 560 M CA 1.164 56.433 55.300 -0.052 0.000 1.124 560 M CB -0.376 32.196 32.600 -0.047 0.000 1.353 560 M HN 0.141 nan 8.290 nan 0.000 0.410 561 E N 0.778 120.954 120.200 -0.041 0.000 2.048 561 E HA -0.229 4.121 4.350 0.000 0.000 0.202 561 E C 1.928 178.504 176.600 -0.039 0.000 1.021 561 E CA 1.752 58.130 56.400 -0.037 0.000 0.825 561 E CB -0.460 29.221 29.700 -0.031 0.000 0.756 561 E HN 0.529 nan 8.360 nan 0.000 0.454 562 I N 0.832 121.377 120.570 -0.041 0.000 2.127 562 I HA -0.317 3.854 4.170 0.000 0.000 0.241 562 I C 2.581 178.669 176.117 -0.049 0.000 1.075 562 I CA 1.292 62.566 61.300 -0.043 0.000 1.334 562 I CB -0.410 37.562 38.000 -0.045 0.000 1.040 562 I HN 0.049 nan 8.210 nan 0.000 0.405 563 A N 0.980 123.766 122.820 -0.057 0.000 1.865 563 A HA -0.220 4.100 4.320 0.000 0.000 0.217 563 A C 2.289 179.839 177.584 -0.056 0.000 1.191 563 A CA 1.853 53.853 52.037 -0.063 0.000 0.623 563 A CB -0.970 17.987 19.000 -0.072 0.000 0.826 563 A HN 0.381 nan 8.150 nan 0.000 0.444 564 I N -1.089 119.449 120.570 -0.054 0.000 2.142 564 I HA -0.295 3.875 4.170 0.000 0.000 0.240 564 I C 2.791 178.884 176.117 -0.039 0.000 1.078 564 I CA 1.732 63.003 61.300 -0.049 0.000 1.343 564 I CB -0.336 37.634 38.000 -0.049 0.000 1.046 564 I HN 0.282 nan 8.210 nan 0.000 0.405 565 Q N 0.362 120.140 119.800 -0.036 0.000 2.061 565 Q HA -0.271 4.069 4.340 0.000 0.000 0.204 565 Q C 2.075 178.058 176.000 -0.030 0.000 0.984 565 Q CA 1.771 57.556 55.803 -0.029 0.000 0.846 565 Q CB -0.229 28.492 28.738 -0.028 0.000 0.902 565 Q HN 0.323 nan 8.270 nan 0.000 0.421 566 E N -0.889 119.289 120.200 -0.036 0.000 2.077 566 E HA -0.125 4.225 4.350 0.000 0.000 0.193 566 E C 1.752 178.331 176.600 -0.034 0.000 0.989 566 E CA 1.838 58.217 56.400 -0.036 0.000 0.800 566 E CB -0.385 29.288 29.700 -0.045 0.000 0.746 566 E HN 0.369 nan 8.360 nan 0.000 0.452 567 T N 0.488 115.019 114.554 -0.038 0.000 2.746 567 T HA -0.158 4.192 4.350 0.000 0.000 0.267 567 T C 1.797 176.483 174.700 -0.024 0.000 1.039 567 T CA 1.557 63.637 62.100 -0.034 0.000 1.142 567 T CB -0.229 68.615 68.868 -0.040 0.000 0.866 567 T HN 0.180 nan 8.240 nan 0.000 0.444 568 K N 1.082 121.469 120.400 -0.021 0.000 1.991 568 K HA -0.134 4.186 4.320 0.000 0.000 0.212 568 K C 2.575 179.169 176.600 -0.010 0.000 1.049 568 K CA 1.284 57.563 56.287 -0.013 0.000 0.932 568 K CB -0.141 32.350 32.500 -0.014 0.000 0.717 568 K HN 0.115 nan 8.250 nan 0.000 0.441 569 R N 0.704 121.196 120.500 -0.013 0.000 2.103 569 R HA -0.184 4.156 4.340 0.000 0.000 0.242 569 R C 2.232 178.527 176.300 -0.009 0.000 1.142 569 R CA 1.882 57.975 56.100 -0.011 0.000 0.960 569 R CB -0.108 30.184 30.300 -0.014 0.000 0.858 569 R HN 0.212 nan 8.270 nan 0.000 0.439 570 R N -0.329 120.162 120.500 -0.015 0.000 2.066 570 R HA -0.085 4.255 4.340 0.000 0.000 0.232 570 R C 2.583 178.877 176.300 -0.010 0.000 1.131 570 R CA 1.533 57.623 56.100 -0.017 0.000 0.955 570 R CB -0.383 29.902 30.300 -0.025 0.000 0.851 570 R HN 0.216 nan 8.270 nan 0.000 0.432 571 R N 0.573 121.069 120.500 -0.006 0.000 2.091 571 R HA -0.155 4.185 4.340 0.000 0.000 0.238 571 R C 2.204 178.511 176.300 0.012 0.000 1.136 571 R CA 1.596 57.697 56.100 0.002 0.000 0.959 571 R CB -0.254 30.048 30.300 0.003 0.000 0.856 571 R HN 0.254 nan 8.270 nan 0.000 0.437 572 A N 1.023 123.849 122.820 0.011 0.000 1.858 572 A HA -0.178 4.142 4.320 0.000 0.000 0.216 572 A C 2.147 179.749 177.584 0.030 0.000 1.190 572 A CA 1.512 53.560 52.037 0.018 0.000 0.617 572 A CB -0.583 18.425 19.000 0.013 0.000 0.827 572 A HN 0.330 nan 8.150 nan 0.000 0.443 573 I N -0.285 120.301 120.570 0.026 0.000 2.118 573 I HA -0.382 3.788 4.170 0.000 0.000 0.241 573 I C 2.848 179.002 176.117 0.061 0.000 1.070 573 I CA 1.999 63.322 61.300 0.038 0.000 1.327 573 I CB -0.484 37.526 38.000 0.018 0.000 1.034 573 I HN 0.472 nan 8.210 nan 0.000 0.405 574 Q N 0.104 119.926 119.800 0.036 0.000 2.124 574 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 574 Q C 2.108 178.170 176.000 0.103 0.000 0.977 574 Q CA 1.476 57.307 55.803 0.047 0.000 0.850 574 Q CB -0.191 28.549 28.738 0.003 0.000 0.901 574 Q HN 0.531 nan 8.270 nan 0.000 0.429 575 E N 0.825 121.068 120.200 0.071 0.000 2.028 575 E HA -0.223 4.127 4.350 0.000 0.000 0.191 575 E C 2.099 178.747 176.600 0.080 0.000 0.988 575 E CA 1.092 57.531 56.400 0.066 0.000 0.799 575 E CB 0.001 29.724 29.700 0.040 0.000 0.755 575 E HN 0.377 nan 8.360 nan 0.000 0.447 576 E N 0.391 120.639 120.200 0.080 0.000 2.097 576 E HA -0.282 4.068 4.350 0.000 0.000 0.196 576 E C 2.010 178.680 176.600 0.117 0.000 1.000 576 E CA 1.292 57.740 56.400 0.080 0.000 0.804 576 E CB -0.414 29.329 29.700 0.072 0.000 0.740 576 E HN 0.398 nan 8.360 nan 0.000 0.454 577 Y N 2.027 122.354 120.300 0.044 0.000 2.145 577 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 577 Y C 2.096 178.047 175.900 0.084 0.000 1.145 577 Y CA 2.182 60.314 58.100 0.054 0.000 1.148 577 Y CB -0.263 38.167 38.460 -0.050 0.000 0.981 577 Y HN 0.070 nan 8.280 nan 0.000 0.507 578 N N 0.430 119.240 118.700 0.183 0.000 2.272 578 N HA -0.186 4.555 4.740 0.000 0.000 0.185 578 N C 1.913 177.445 175.510 0.036 0.000 1.014 578 N CA 1.229 54.341 53.050 0.103 0.000 0.870 578 N CB -0.375 38.174 38.487 0.104 0.000 0.975 578 N HN 0.467 nan 8.380 nan 0.000 0.433 579 R N 1.449 121.967 120.500 0.030 0.000 2.051 579 R HA -0.032 4.308 4.340 0.000 0.000 0.225 579 R C 2.079 178.361 176.300 -0.030 0.000 1.155 579 R CA 1.177 57.280 56.100 0.005 0.000 0.945 579 R CB -0.136 30.171 30.300 0.012 0.000 0.840 579 R HN 0.056 nan 8.270 nan 0.000 0.432 580 K N -0.554 119.823 120.400 -0.037 0.000 2.218 580 K HA -0.203 4.117 4.320 0.000 0.000 0.205 580 K C 0.708 177.128 176.600 -0.300 0.000 1.046 580 K CA 1.966 58.175 56.287 -0.129 0.000 0.933 580 K CB -0.038 32.404 32.500 -0.097 0.000 0.728 580 K HN 0.384 nan 8.250 nan 0.000 0.454 581 H N -1.698 117.213 119.070 -0.265 0.000 2.755 581 H HA 0.261 4.818 4.556 0.000 0.000 0.273 581 H C 0.498 175.748 175.328 -0.130 0.000 1.055 581 H CA 0.410 56.315 56.048 -0.239 0.000 1.191 581 H CB 1.391 30.890 29.762 -0.438 0.000 1.536 581 H HN 0.406 nan 8.280 nan 0.000 0.529 582 G N 1.291 110.084 108.800 -0.011 0.000 2.273 582 G HA2 -0.295 3.665 3.960 0.000 0.000 0.280 582 G HA3 -0.295 3.665 3.960 0.000 0.000 0.280 582 G C -0.249 174.666 174.900 0.025 0.000 1.047 582 G CA 0.341 45.442 45.100 0.001 0.000 0.869 582 G HN 0.288 nan 8.290 nan 0.000 0.502 583 I N -0.613 119.983 120.570 0.044 0.000 2.428 583 I HA 0.521 4.691 4.170 0.000 0.000 0.296 583 I C 0.501 176.642 176.117 0.041 0.000 0.985 583 I CA -1.059 60.273 61.300 0.053 0.000 1.260 583 I CB 2.011 40.063 38.000 0.087 0.000 1.389 583 I HN -0.082 nan 8.210 nan 0.000 0.484 584 V N 6.848 126.781 119.914 0.031 0.000 2.357 584 V HA 0.347 4.467 4.120 0.000 0.000 0.284 584 V C -2.151 173.956 176.094 0.022 0.000 1.018 584 V CA -1.727 60.587 62.300 0.023 0.000 0.841 584 V CB 1.053 32.885 31.823 0.015 0.000 0.991 584 V HN 0.606 nan 8.190 nan 0.000 0.437 585 P HA 0.234 nan 4.420 nan 0.000 0.262 585 P C -0.375 176.932 177.300 0.010 0.000 1.182 585 P CA 0.208 63.319 63.100 0.017 0.000 0.761 585 P CB 0.399 32.109 31.700 0.017 0.000 0.795 586 R N 1.491 121.995 120.500 0.007 0.000 2.584 586 R HA 0.311 4.652 4.340 0.000 0.000 0.276 586 R C -0.844 175.456 176.300 0.000 0.000 1.046 586 R CA -0.542 55.560 56.100 0.004 0.000 0.906 586 R CB 1.543 31.846 30.300 0.004 0.000 1.215 586 R HN 0.302 nan 8.270 nan 0.000 0.449 587 T N 3.173 117.726 114.554 -0.000 0.000 2.853 587 T HA 0.072 4.422 4.350 0.000 0.000 0.298 587 T C 0.348 175.045 174.700 -0.005 0.000 0.978 587 T CA -0.309 61.791 62.100 -0.002 0.000 1.152 587 T CB 0.407 69.276 68.868 0.001 0.000 0.914 587 T HN 0.292 nan 8.240 nan 0.000 0.539 588 V N 3.085 122.994 119.914 -0.009 0.000 2.485 588 V HA 0.194 4.314 4.120 0.000 0.000 0.287 588 V C 0.626 176.715 176.094 -0.009 0.000 1.022 588 V CA -0.671 61.622 62.300 -0.013 0.000 1.067 588 V CB -0.310 31.500 31.823 -0.020 0.000 0.967 588 V HN 0.623 nan 8.190 nan 0.000 0.479 589 K N 4.330 124.725 120.400 -0.008 0.000 2.138 589 K HA 0.496 4.816 4.320 0.000 0.000 0.251 589 K C -0.249 176.348 176.600 -0.006 0.000 1.015 589 K CA -0.165 56.119 56.287 -0.005 0.000 0.917 589 K CB 0.708 33.205 32.500 -0.004 0.000 1.021 589 K HN 0.809 nan 8.250 nan 0.000 0.485 590 K N 1.093 121.491 120.400 -0.003 0.000 2.532 590 K HA 0.135 4.455 4.320 0.000 0.000 0.265 590 K C -1.381 175.218 176.600 -0.001 0.000 0.948 590 K CA -0.823 55.463 56.287 -0.002 0.000 0.842 590 K CB 1.656 34.156 32.500 0.000 0.000 1.392 590 K HN 0.801 nan 8.250 nan 0.000 0.436 591 E N 2.491 122.691 120.200 -0.001 0.000 2.289 591 E HA 0.203 4.554 4.350 0.000 0.000 0.278 591 E C -0.515 176.086 176.600 0.002 0.000 1.032 591 E CA -0.311 56.088 56.400 -0.000 0.000 0.854 591 E CB 0.710 30.410 29.700 -0.001 0.000 1.046 591 E HN 0.363 nan 8.360 nan 0.000 0.409 592 I N 5.145 125.716 120.570 0.002 0.000 2.311 592 I HA 0.066 4.236 4.170 0.000 0.000 0.297 592 I C 1.141 177.260 176.117 0.003 0.000 1.131 592 I CA -0.262 61.040 61.300 0.004 0.000 1.289 592 I CB -0.240 37.761 38.000 0.001 0.000 1.446 592 I HN 0.611 nan 8.210 nan 0.000 0.524 593 R N 5.176 125.679 120.500 0.006 0.000 2.225 593 R HA 0.635 4.975 4.340 0.000 0.000 0.139 593 R C -0.885 175.420 176.300 0.007 0.000 0.745 593 R CA -0.514 55.589 56.100 0.005 0.000 1.634 593 R CB 0.054 30.358 30.300 0.006 0.000 1.019 593 R HN 0.472 nan 8.270 nan 0.000 0.629 594 D N -1.966 118.439 120.400 0.009 0.000 2.738 594 D HA 0.401 5.041 4.640 0.000 0.000 0.308 594 D C -1.035 175.272 176.300 0.012 0.000 1.311 594 D CA -0.844 53.162 54.000 0.010 0.000 0.799 594 D CB 0.820 41.625 40.800 0.007 0.000 1.332 594 D HN 0.339 nan 8.370 nan 0.000 0.441 595 V N 0.000 119.922 119.914 0.013 0.000 2.409 595 V HA 0.000 4.120 4.120 0.000 0.000 0.244 595 V CA 0.000 62.308 62.300 0.014 0.000 1.235 595 V CB 0.000 31.833 31.823 0.017 0.000 1.184 595 V HN 0.000 nan 8.190 nan 0.000 0.556