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 2hlz_1_B DATA FIRST_RESID 3 DATA SEQUENCE GSQILCVGLV VLDVISLVDK YPKEDSEIRC LSQRWQRGGN ASNSCTILSL DATA SEQUENCE LGAPCAFXGS XAPGHVADFV LDDLRRYSVD LRYTVFQTTG SVPIATVIIN DATA SEQUENCE EASGSRTILY YDRSLPDVSA TDFEKVDLTQ FKWIHIEGRN ASEQVKXLQR DATA SEQUENCE IDAHNTRQPP EQKIRVSVEV EKPREELFQL FGYGDVVFVS KDVAKHLGFQ DATA SEQUENCE SAEEALRGLY GRVRKGAVLV CAWAEEGADA LGPDGKLLHS DAFPPPRVVD DATA SEQUENCE TLGAGDTFNA SVIFSLSQGR SVQEALRFGC QVAGKKCGLQ GFDGIV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.920 174.900 0.033 0.000 0.946 3 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 4 S N -0.767 114.950 115.700 0.028 0.000 2.559 4 S HA 0.334 4.804 4.470 -0.000 0.000 0.226 4 S C 0.620 175.297 174.600 0.128 0.000 1.000 4 S CA -0.220 58.024 58.200 0.074 0.000 0.948 4 S CB 0.432 63.663 63.200 0.052 0.000 0.870 4 S HN 0.373 nan 8.310 nan 0.000 0.497 5 Q N 0.538 120.434 119.800 0.160 0.000 2.212 5 Q HA 0.585 4.925 4.340 -0.000 0.000 0.238 5 Q C -0.904 175.372 176.000 0.460 0.000 0.955 5 Q CA -0.418 55.566 55.803 0.302 0.000 0.906 5 Q CB 1.324 30.275 28.738 0.354 0.000 1.215 5 Q HN 0.400 nan 8.270 nan 0.000 0.478 6 I N 1.980 122.773 120.570 0.372 0.000 2.378 6 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 6 I C -0.963 175.242 176.117 0.146 0.000 0.992 6 I CA -0.795 60.680 61.300 0.291 0.000 1.154 6 I CB 1.316 39.417 38.000 0.169 0.000 1.315 6 I HN 0.317 nan 8.210 nan 0.000 0.448 7 L N 7.344 128.495 121.223 -0.121 0.000 2.307 7 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 7 L C -0.957 175.860 176.870 -0.087 0.000 1.051 7 L CA 0.124 54.718 54.840 -0.410 0.000 0.804 7 L CB 1.091 42.504 42.059 -1.078 0.000 1.197 7 L HN 0.640 nan 8.230 nan 0.000 0.431 8 C N 4.652 123.930 119.300 -0.037 0.000 2.340 8 C HA 0.622 5.081 4.460 -0.000 0.000 0.323 8 C C -0.326 174.623 174.990 -0.069 0.000 1.260 8 C CA -1.044 58.011 59.018 0.061 0.000 1.464 8 C CB 1.073 28.917 27.740 0.173 0.000 2.156 8 C HN 0.551 nan 8.230 nan 0.000 0.476 9 V N 4.162 124.007 119.914 -0.116 0.000 2.370 9 V HA 0.923 5.043 4.120 -0.000 0.000 0.283 9 V C 0.690 176.688 176.094 -0.160 0.000 1.023 9 V CA 0.647 62.819 62.300 -0.213 0.000 0.857 9 V CB 0.845 32.549 31.823 -0.199 0.000 0.985 9 V HN 1.219 nan 8.190 nan 0.000 0.443 10 G N 4.119 112.824 108.800 -0.159 0.000 2.435 10 G HA2 0.389 4.348 3.960 -0.000 0.000 0.228 10 G HA3 0.389 4.348 3.960 -0.000 0.000 0.228 10 G C -1.570 173.398 174.900 0.113 0.000 1.198 10 G CA -0.865 44.229 45.100 -0.010 0.000 0.948 10 G HN 0.493 nan 8.290 nan 0.000 0.487 11 L N 0.376 121.717 121.223 0.196 0.000 2.360 11 L HA 0.756 5.096 4.340 -0.000 0.000 0.271 11 L C -0.109 176.921 176.870 0.267 0.000 1.057 11 L CA -1.052 53.923 54.840 0.226 0.000 0.803 11 L CB 1.675 43.813 42.059 0.131 0.000 1.207 11 L HN 0.366 nan 8.230 nan 0.000 0.445 12 V N 3.178 123.204 119.914 0.186 0.000 2.581 12 V HA 0.649 4.769 4.120 -0.000 0.000 0.303 12 V C -0.570 175.525 176.094 0.002 0.000 1.041 12 V CA -0.338 61.931 62.300 -0.050 0.000 0.907 12 V CB 2.226 33.897 31.823 -0.254 0.000 0.994 12 V HN 0.453 nan 8.190 nan 0.000 0.442 13 V N 6.527 126.431 119.914 -0.017 0.000 2.760 13 V HA 0.436 4.556 4.120 -0.000 0.000 0.309 13 V C -0.593 175.474 176.094 -0.045 0.000 1.077 13 V CA -0.784 61.505 62.300 -0.019 0.000 0.910 13 V CB 1.827 33.684 31.823 0.058 0.000 1.008 13 V HN 0.822 nan 8.190 nan 0.000 0.424 14 L N 3.822 124.976 121.223 -0.116 0.000 2.315 14 L HA 0.507 4.847 4.340 -0.000 0.000 0.283 14 L C -0.406 176.334 176.870 -0.216 0.000 1.089 14 L CA 0.453 55.182 54.840 -0.186 0.000 0.833 14 L CB 0.492 42.325 42.059 -0.377 0.000 1.170 14 L HN 0.559 nan 8.230 nan 0.000 0.442 15 D N 4.829 125.148 120.400 -0.136 0.000 2.313 15 D HA 0.258 4.897 4.640 -0.000 0.000 0.239 15 D C -0.627 175.553 176.300 -0.200 0.000 1.142 15 D CA 0.031 53.964 54.000 -0.111 0.000 0.847 15 D CB 1.774 42.574 40.800 -0.000 0.000 1.082 15 D HN 0.253 nan 8.370 nan 0.000 0.480 16 V N 4.485 124.262 119.914 -0.229 0.000 2.311 16 V HA 0.321 4.441 4.120 -0.000 0.000 0.275 16 V C 0.439 176.501 176.094 -0.055 0.000 1.022 16 V CA -0.619 61.556 62.300 -0.208 0.000 0.830 16 V CB 0.577 32.235 31.823 -0.276 0.000 1.012 16 V HN 0.368 nan 8.190 nan 0.000 0.452 17 I N 3.643 124.217 120.570 0.007 0.000 2.339 17 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 17 I C 0.268 176.401 176.117 0.026 0.000 0.994 17 I CA 0.120 61.429 61.300 0.015 0.000 1.191 17 I CB 1.735 39.745 38.000 0.017 0.000 1.343 17 I HN 0.467 nan 8.210 nan 0.000 0.458 18 S N 6.743 122.452 115.700 0.015 0.000 2.449 18 S HA 0.494 4.964 4.470 -0.000 0.000 0.310 18 S C -0.575 174.031 174.600 0.010 0.000 1.096 18 S CA -0.488 57.719 58.200 0.011 0.000 1.095 18 S CB 1.403 64.603 63.200 0.001 0.000 1.007 18 S HN 0.307 nan 8.310 nan 0.000 0.474 19 L N 5.621 126.849 121.223 0.008 0.000 2.264 19 L HA 0.641 4.980 4.340 -0.000 0.000 0.289 19 L C -0.492 176.381 176.870 0.005 0.000 1.044 19 L CA -0.248 54.597 54.840 0.008 0.000 0.807 19 L CB 0.965 43.027 42.059 0.004 0.000 1.192 19 L HN 0.519 nan 8.230 nan 0.000 0.425 20 V N 1.147 121.067 119.914 0.010 0.000 3.001 20 V HA 0.607 4.727 4.120 -0.000 0.000 0.314 20 V C 0.199 176.302 176.094 0.015 0.000 1.099 20 V CA -0.470 61.833 62.300 0.004 0.000 0.989 20 V CB 1.786 33.602 31.823 -0.011 0.000 1.040 20 V HN 0.732 nan 8.190 nan 0.000 0.434 21 D N 0.663 121.070 120.400 0.010 0.000 2.323 21 D HA 0.083 4.722 4.640 -0.000 0.000 0.209 21 D C 0.419 176.736 176.300 0.028 0.000 0.973 21 D CA 0.927 54.937 54.000 0.016 0.000 0.874 21 D CB 0.143 40.948 40.800 0.009 0.000 0.930 21 D HN 0.894 nan 8.370 nan 0.000 0.521 22 K N -2.071 118.350 120.400 0.034 0.000 2.556 22 K HA 0.279 4.598 4.320 -0.000 0.000 0.274 22 K C -1.443 175.211 176.600 0.089 0.000 0.966 22 K CA -1.140 55.184 56.287 0.062 0.000 0.865 22 K CB 0.760 33.287 32.500 0.045 0.000 1.444 22 K HN -0.152 nan 8.250 nan 0.000 0.433 23 Y N 2.311 122.610 120.300 -0.002 0.000 2.526 23 Y HA 0.174 4.724 4.550 -0.000 0.000 0.330 23 Y C -2.107 173.792 175.900 -0.002 0.000 1.156 23 Y CA -1.145 56.954 58.100 -0.002 0.000 1.419 23 Y CB 0.571 39.031 38.460 -0.001 0.000 1.250 23 Y HN 0.468 nan 8.280 nan 0.000 0.540 24 P HA 0.054 nan 4.420 nan 0.000 0.271 24 P C -0.956 176.193 177.300 -0.252 0.000 1.220 24 P CA -0.197 62.703 63.100 -0.333 0.000 0.768 24 P CB 0.491 31.975 31.700 -0.360 0.000 0.848 25 K N 2.036 122.378 120.400 -0.097 0.000 2.350 25 K HA 0.063 4.382 4.320 -0.000 0.000 0.279 25 K C 0.446 177.013 176.600 -0.055 0.000 1.027 25 K CA -0.575 55.689 56.287 -0.039 0.000 0.969 25 K CB 0.080 32.573 32.500 -0.011 0.000 0.954 25 K HN 0.581 nan 8.250 nan 0.000 0.474 26 E N 1.031 121.214 120.200 -0.029 0.000 2.465 26 E HA -0.131 4.219 4.350 -0.000 0.000 0.260 26 E C -0.209 176.377 176.600 -0.024 0.000 0.980 26 E CA 0.604 56.987 56.400 -0.027 0.000 0.927 26 E CB 0.178 29.877 29.700 -0.002 0.000 0.934 26 E HN 0.668 nan 8.360 nan 0.000 0.459 27 D N 1.323 121.705 120.400 -0.030 0.000 2.876 27 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 27 D C -0.571 175.713 176.300 -0.027 0.000 1.014 27 D CA 1.353 55.339 54.000 -0.024 0.000 1.012 27 D CB -1.223 39.569 40.800 -0.015 0.000 1.080 27 D HN 0.420 nan 8.370 nan 0.000 0.438 28 S N -0.422 115.257 115.700 -0.035 0.000 2.693 28 S HA 0.580 5.050 4.470 -0.000 0.000 0.276 28 S C 0.046 174.621 174.600 -0.041 0.000 1.192 28 S CA -0.643 57.536 58.200 -0.035 0.000 0.994 28 S CB 2.437 65.614 63.200 -0.038 0.000 1.012 28 S HN 0.268 nan 8.310 nan 0.000 0.550 29 E N 0.326 120.505 120.200 -0.035 0.000 2.176 29 E HA 0.605 4.955 4.350 -0.000 0.000 0.267 29 E C -1.392 175.187 176.600 -0.036 0.000 0.893 29 E CA -0.708 55.670 56.400 -0.036 0.000 0.761 29 E CB 1.233 30.916 29.700 -0.028 0.000 1.133 29 E HN 0.706 nan 8.360 nan 0.000 0.409 30 I N 2.192 122.737 120.570 -0.043 0.000 2.740 30 I HA 0.426 4.596 4.170 -0.000 0.000 0.303 30 I C -0.691 175.407 176.117 -0.032 0.000 1.044 30 I CA -0.780 60.497 61.300 -0.039 0.000 1.064 30 I CB 1.657 39.626 38.000 -0.052 0.000 1.249 30 I HN 0.314 nan 8.210 nan 0.000 0.433 31 R N 3.864 124.350 120.500 -0.024 0.000 2.390 31 R HA 0.345 4.685 4.340 -0.000 0.000 0.291 31 R C -0.725 175.564 176.300 -0.018 0.000 1.070 31 R CA -0.543 55.545 56.100 -0.020 0.000 1.014 31 R CB 0.343 30.634 30.300 -0.015 0.000 1.007 31 R HN 0.723 nan 8.270 nan 0.000 0.466 32 C N 3.650 122.940 119.300 -0.016 0.000 2.593 32 C HA 0.210 4.669 4.460 -0.000 0.000 0.409 32 C C 2.545 177.531 174.990 -0.008 0.000 1.304 32 C CA -0.529 58.482 59.018 -0.012 0.000 2.007 32 C CB -0.805 26.930 27.740 -0.008 0.000 2.614 32 C HN 0.888 nan 8.230 nan 0.000 0.585 33 L N 2.606 123.826 121.223 -0.005 0.000 2.093 33 L HA -0.008 4.331 4.340 -0.000 0.000 0.208 33 L C 1.279 178.147 176.870 -0.003 0.000 1.085 33 L CA 1.336 56.174 54.840 -0.003 0.000 0.755 33 L CB -0.590 41.468 42.059 -0.001 0.000 0.904 33 L HN 0.924 nan 8.230 nan 0.000 0.435 34 S N -2.140 113.560 115.700 -0.000 0.000 2.636 34 S HA 0.495 4.965 4.470 -0.000 0.000 0.268 34 S C -1.100 173.505 174.600 0.008 0.000 1.159 34 S CA -0.910 57.291 58.200 0.002 0.000 0.815 34 S CB 2.606 65.807 63.200 0.002 0.000 1.130 34 S HN 0.127 nan 8.310 nan 0.000 0.471 35 Q N 0.227 120.036 119.800 0.015 0.000 2.295 35 Q HA 0.588 4.928 4.340 -0.000 0.000 0.268 35 Q C -1.688 174.343 176.000 0.052 0.000 1.010 35 Q CA -0.590 55.233 55.803 0.034 0.000 0.856 35 Q CB 1.725 30.483 28.738 0.033 0.000 1.349 35 Q HN 0.926 nan 8.270 nan 0.000 0.412 36 R N 1.290 121.845 120.500 0.091 0.000 2.739 36 R HA 0.536 4.875 4.340 -0.000 0.000 0.271 36 R C -1.669 174.783 176.300 0.253 0.000 1.010 36 R CA -0.768 55.409 56.100 0.129 0.000 0.897 36 R CB 0.990 31.348 30.300 0.097 0.000 1.236 36 R HN 0.319 nan 8.270 nan 0.000 0.466 37 W N 1.389 122.621 121.300 -0.114 0.000 2.376 37 W HA 0.436 5.096 4.660 -0.000 0.000 0.322 37 W C -0.122 176.414 176.519 0.028 0.000 1.160 37 W CA -0.212 57.003 57.345 -0.217 0.000 1.218 37 W CB 1.410 30.436 29.460 -0.723 0.000 1.205 37 W HN 0.597 nan 8.180 nan 0.000 0.559 38 Q N 2.868 122.830 119.800 0.271 0.000 2.268 38 Q HA 0.284 4.624 4.340 -0.000 0.000 0.266 38 Q C -0.427 175.783 176.000 0.349 0.000 1.006 38 Q CA -0.976 55.039 55.803 0.353 0.000 0.824 38 Q CB 1.828 30.676 28.738 0.183 0.000 1.306 38 Q HN 0.566 nan 8.270 nan 0.000 0.424 39 R N 1.990 122.745 120.500 0.426 0.000 2.570 39 R HA 0.457 4.796 4.340 -0.000 0.000 0.277 39 R C -0.407 175.977 176.300 0.139 0.000 1.039 39 R CA 0.867 57.102 56.100 0.225 0.000 1.065 39 R CB 0.344 30.698 30.300 0.090 0.000 0.964 39 R HN 0.714 nan 8.270 nan 0.000 0.428 40 G N 1.135 109.973 108.800 0.064 0.000 3.058 40 G HA2 0.631 4.591 3.960 -0.000 0.000 0.282 40 G HA3 0.631 4.591 3.960 -0.000 0.000 0.282 40 G C -0.522 174.377 174.900 -0.002 0.000 1.248 40 G CA -0.532 44.602 45.100 0.057 0.000 0.822 40 G HN 0.997 nan 8.290 nan 0.000 0.579 41 G N -0.983 107.840 108.800 0.037 0.000 2.719 41 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.686 41 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.686 41 G C 0.232 175.145 174.900 0.022 0.000 1.201 41 G CA 0.333 45.459 45.100 0.044 0.000 0.768 41 G HN 0.717 nan 8.290 nan 0.000 0.629 42 N N 0.597 119.323 118.700 0.043 0.000 2.109 42 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 42 N C 2.833 178.366 175.510 0.038 0.000 1.034 42 N CA 2.411 55.477 53.050 0.027 0.000 0.846 42 N CB -0.549 37.957 38.487 0.032 0.000 1.010 42 N HN 1.135 nan 8.380 nan 0.000 0.425 43 A N 0.271 123.157 122.820 0.109 0.000 1.902 43 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 43 A C 2.401 180.083 177.584 0.164 0.000 1.181 43 A CA 2.029 54.177 52.037 0.185 0.000 0.623 43 A CB -1.032 18.111 19.000 0.238 0.000 0.818 43 A HN 0.340 nan 8.150 nan 0.000 0.443 44 S N 0.298 116.044 115.700 0.077 0.000 2.359 44 S HA -0.229 4.241 4.470 -0.000 0.000 0.224 44 S C 1.946 176.408 174.600 -0.230 0.000 1.035 44 S CA 1.855 59.921 58.200 -0.223 0.000 1.018 44 S CB -0.592 62.353 63.200 -0.425 0.000 0.876 44 S HN 0.629 nan 8.310 nan 0.000 0.448 45 N N 1.185 119.755 118.700 -0.217 0.000 2.188 45 N HA 0.021 4.760 4.740 -0.000 0.000 0.184 45 N C 1.967 177.232 175.510 -0.409 0.000 1.018 45 N CA 1.336 54.151 53.050 -0.391 0.000 0.858 45 N CB -0.890 37.399 38.487 -0.330 0.000 0.989 45 N HN 0.391 nan 8.380 nan 0.000 0.426 46 S N 0.250 115.808 115.700 -0.236 0.000 2.383 46 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 46 S C 2.248 176.729 174.600 -0.199 0.000 1.030 46 S CA 0.843 58.913 58.200 -0.217 0.000 1.002 46 S CB -0.348 62.771 63.200 -0.136 0.000 0.829 46 S HN 0.455 nan 8.310 nan 0.000 0.467 47 C N 1.230 120.446 119.300 -0.140 0.000 2.446 47 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 47 C C 2.930 177.792 174.990 -0.214 0.000 1.275 47 C CA 1.019 59.975 59.018 -0.102 0.000 1.727 47 C CB -1.692 26.043 27.740 -0.009 0.000 2.010 47 C HN 0.609 nan 8.230 nan 0.000 0.486 48 T N 1.678 115.999 114.554 -0.388 0.000 2.665 48 T HA -0.141 4.208 4.350 -0.000 0.000 0.268 48 T C 1.682 176.098 174.700 -0.473 0.000 1.035 48 T CA 1.470 63.198 62.100 -0.620 0.000 1.151 48 T CB -0.204 68.123 68.868 -0.902 0.000 0.862 48 T HN 0.295 nan 8.240 nan 0.000 0.438 49 I N 1.010 121.318 120.570 -0.437 0.000 2.202 49 I HA -0.036 4.134 4.170 -0.000 0.000 0.242 49 I C 2.436 178.399 176.117 -0.256 0.000 1.091 49 I CA 1.019 62.123 61.300 -0.326 0.000 1.368 49 I CB -1.507 36.298 38.000 -0.324 0.000 1.058 49 I HN 0.257 nan 8.210 nan 0.000 0.410 50 L N 0.198 121.290 121.223 -0.218 0.000 1.990 50 L HA -0.301 4.039 4.340 -0.000 0.000 0.213 50 L C 2.818 179.610 176.870 -0.131 0.000 1.072 50 L CA 1.931 56.678 54.840 -0.155 0.000 0.755 50 L CB -0.812 41.205 42.059 -0.070 0.000 0.889 50 L HN 0.262 nan 8.230 nan 0.000 0.432 51 S N 0.068 115.718 115.700 -0.085 0.000 2.359 51 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 51 S C 2.006 176.596 174.600 -0.017 0.000 1.039 51 S CA 1.522 59.717 58.200 -0.008 0.000 1.042 51 S CB -0.322 62.916 63.200 0.064 0.000 0.915 51 S HN 0.304 nan 8.310 nan 0.000 0.439 52 L N 0.775 121.973 121.223 -0.041 0.000 2.083 52 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 52 L C 2.195 178.989 176.870 -0.127 0.000 1.083 52 L CA 1.015 55.839 54.840 -0.027 0.000 0.752 52 L CB -0.430 41.619 42.059 -0.017 0.000 0.899 52 L HN 0.352 nan 8.230 nan 0.000 0.433 53 L N -0.667 120.390 121.223 -0.278 0.000 2.552 53 L HA 0.072 4.412 4.340 -0.000 0.000 0.227 53 L C 1.464 178.059 176.870 -0.458 0.000 1.146 53 L CA 0.656 55.172 54.840 -0.540 0.000 0.858 53 L CB -0.410 40.981 42.059 -1.113 0.000 0.969 53 L HN 0.503 nan 8.230 nan 0.000 0.451 54 G N -0.154 108.530 108.800 -0.193 0.000 2.144 54 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 54 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 54 G C 0.225 175.183 174.900 0.096 0.000 0.988 54 G CA -0.124 44.965 45.100 -0.018 0.000 0.659 54 G HN 0.442 nan 8.290 nan 0.000 0.522 55 A N 0.849 123.731 122.820 0.103 0.000 2.260 55 A HA 0.745 5.065 4.320 -0.000 0.000 0.312 55 A C -1.795 175.862 177.584 0.121 0.000 1.321 55 A CA -1.357 50.800 52.037 0.199 0.000 0.928 55 A CB 0.568 19.760 19.000 0.320 0.000 1.158 55 A HN 0.103 nan 8.150 nan 0.000 0.542 56 P HA 0.140 nan 4.420 nan 0.000 0.260 56 P C -0.170 177.222 177.300 0.152 0.000 1.172 56 P CA 0.362 63.534 63.100 0.120 0.000 0.760 56 P CB 0.011 31.778 31.700 0.112 0.000 0.773 57 C N 1.638 121.029 119.300 0.153 0.000 3.171 57 C HA 0.942 5.402 4.460 -0.000 0.000 0.308 57 C C -0.790 174.327 174.990 0.211 0.000 1.334 57 C CA -1.147 57.979 59.018 0.181 0.000 1.473 57 C CB 1.339 29.149 27.740 0.117 0.000 1.866 57 C HN 0.606 nan 8.230 nan 0.000 0.465 58 A N 0.765 123.724 122.820 0.232 0.000 2.393 58 A HA 0.824 5.144 4.320 -0.000 0.000 0.306 58 A C -1.109 176.594 177.584 0.199 0.000 1.050 58 A CA -0.306 51.885 52.037 0.257 0.000 0.724 58 A CB 1.053 20.296 19.000 0.406 0.000 1.248 58 A HN 1.406 nan 8.150 nan 0.000 0.424 65 P HA 0.548 nan 4.420 nan 0.000 0.270 65 P C 0.559 177.905 177.300 0.078 0.000 1.223 65 P CA 1.360 64.546 63.100 0.143 0.000 0.785 65 P CB 0.774 32.514 31.700 0.067 0.000 0.923 66 G N -0.303 108.524 108.800 0.046 0.000 2.371 66 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.663 66 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.663 66 G C 0.264 175.189 174.900 0.040 0.000 1.311 66 G CA -0.354 44.720 45.100 -0.044 0.000 0.985 66 G HN 0.604 nan 8.290 nan 0.000 0.566 67 H N -0.979 118.176 119.070 0.142 0.000 2.352 67 H HA -0.059 4.496 4.556 -0.000 0.000 0.299 67 H C 2.718 178.208 175.328 0.270 0.000 1.097 67 H CA 1.908 58.070 56.048 0.190 0.000 1.311 67 H CB 0.033 29.908 29.762 0.189 0.000 1.377 67 H HN 0.262 nan 8.280 nan 0.000 0.504 68 V N 0.769 120.888 119.914 0.341 0.000 2.307 68 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 68 V C 2.603 178.863 176.094 0.276 0.000 1.045 68 V CA 1.635 64.104 62.300 0.281 0.000 1.024 68 V CB -0.847 31.026 31.823 0.084 0.000 0.651 68 V HN 0.580 nan 8.190 nan 0.000 0.449 69 A N -0.232 122.711 122.820 0.204 0.000 1.930 69 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 69 A C 1.965 179.679 177.584 0.217 0.000 1.175 69 A CA 1.902 54.048 52.037 0.182 0.000 0.627 69 A CB -0.581 18.527 19.000 0.179 0.000 0.815 69 A HN 0.535 nan 8.150 nan 0.000 0.443 70 D N -1.020 119.526 120.400 0.243 0.000 2.117 70 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 70 D C 1.581 178.023 176.300 0.236 0.000 0.987 70 D CA 1.236 55.370 54.000 0.223 0.000 0.829 70 D CB -0.437 40.498 40.800 0.224 0.000 0.961 70 D HN 0.495 nan 8.370 nan 0.000 0.460 71 F N 1.369 121.440 119.950 0.202 0.000 2.075 71 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 71 F C 2.215 178.112 175.800 0.162 0.000 1.113 71 F CA 1.103 59.234 58.000 0.217 0.000 1.218 71 F CB -0.381 38.858 39.000 0.397 0.000 0.984 71 F HN -0.218 nan 8.300 nan 0.000 0.472 72 V N 0.903 120.931 119.914 0.190 0.000 2.287 72 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 72 V C 2.523 178.579 176.094 -0.064 0.000 1.053 72 V CA 2.127 64.439 62.300 0.020 0.000 1.027 72 V CB -0.752 31.112 31.823 0.068 0.000 0.646 72 V HN 0.404 nan 8.190 nan 0.000 0.447 73 L N -0.038 121.195 121.223 0.017 0.000 2.012 73 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 73 L C 2.402 179.271 176.870 -0.003 0.000 1.073 73 L CA 2.326 57.189 54.840 0.038 0.000 0.748 73 L CB -0.677 41.456 42.059 0.122 0.000 0.891 73 L HN 0.453 nan 8.230 nan 0.000 0.431 74 D N -0.234 120.146 120.400 -0.032 0.000 2.123 74 D HA -0.281 4.359 4.640 -0.000 0.000 0.196 74 D C 1.788 178.012 176.300 -0.126 0.000 0.992 74 D CA 1.676 55.635 54.000 -0.069 0.000 0.833 74 D CB 0.063 40.819 40.800 -0.074 0.000 0.954 74 D HN 0.306 nan 8.370 nan 0.000 0.455 75 D N -1.117 119.143 120.400 -0.233 0.000 2.117 75 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 75 D C 2.168 178.482 176.300 0.023 0.000 0.982 75 D CA 0.724 54.618 54.000 -0.177 0.000 0.828 75 D CB -0.058 40.557 40.800 -0.309 0.000 0.967 75 D HN 0.247 nan 8.370 nan 0.000 0.464 76 L N 0.179 121.394 121.223 -0.012 0.000 2.042 76 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 76 L C 2.691 179.605 176.870 0.072 0.000 1.076 76 L CA 1.177 56.039 54.840 0.037 0.000 0.749 76 L CB -0.433 41.620 42.059 -0.009 0.000 0.893 76 L HN 0.079 nan 8.230 nan 0.000 0.432 77 R N 0.272 120.790 120.500 0.031 0.000 2.083 77 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 77 R C 2.438 178.731 176.300 -0.011 0.000 1.137 77 R CA 1.504 57.615 56.100 0.018 0.000 0.951 77 R CB -0.126 30.175 30.300 0.003 0.000 0.851 77 R HN 0.276 nan 8.270 nan 0.000 0.434 78 R N -0.970 119.496 120.500 -0.057 0.000 2.127 78 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 78 R C 1.284 177.415 176.300 -0.281 0.000 1.134 78 R CA 1.509 57.502 56.100 -0.179 0.000 0.975 78 R CB -0.158 29.993 30.300 -0.248 0.000 0.865 78 R HN 0.354 nan 8.270 nan 0.000 0.447 79 Y N 0.047 120.328 120.300 -0.031 0.000 2.468 79 Y HA 0.127 4.677 4.550 -0.000 0.000 0.268 79 Y C 0.654 176.547 175.900 -0.011 0.000 1.177 79 Y CA -0.142 57.943 58.100 -0.025 0.000 1.265 79 Y CB 0.475 38.911 38.460 -0.040 0.000 1.103 79 Y HN -0.092 nan 8.280 nan 0.000 0.522 80 S N -0.274 115.477 115.700 0.084 0.000 3.581 80 S HA -0.142 4.328 4.470 -0.000 0.000 0.354 80 S C -0.020 174.640 174.600 0.100 0.000 1.059 80 S CA 0.373 58.616 58.200 0.072 0.000 1.060 80 S CB -1.965 61.267 63.200 0.053 0.000 0.908 80 S HN 0.123 nan 8.310 nan 0.000 0.475 81 V N 2.082 122.066 119.914 0.117 0.000 2.461 81 V HA 0.260 4.380 4.120 -0.000 0.000 0.275 81 V C 0.652 176.826 176.094 0.133 0.000 1.047 81 V CA -0.713 61.662 62.300 0.125 0.000 0.955 81 V CB 1.390 33.280 31.823 0.111 0.000 0.988 81 V HN 0.454 nan 8.190 nan 0.000 0.471 82 D N 4.097 124.590 120.400 0.155 0.000 2.383 82 D HA 0.126 4.765 4.640 -0.000 0.000 0.252 82 D C 0.570 176.967 176.300 0.162 0.000 1.166 82 D CA 0.140 54.227 54.000 0.145 0.000 0.879 82 D CB 1.296 42.202 40.800 0.176 0.000 1.164 82 D HN 0.458 nan 8.370 nan 0.000 0.462 83 L N 3.639 124.934 121.223 0.119 0.000 2.607 83 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 83 L C 2.098 179.007 176.870 0.065 0.000 1.123 83 L CA -0.334 54.583 54.840 0.129 0.000 0.890 83 L CB -0.124 42.012 42.059 0.129 0.000 1.103 83 L HN 0.288 nan 8.230 nan 0.000 0.468 84 R N 0.933 121.412 120.500 -0.035 0.000 2.133 84 R HA -0.222 4.117 4.340 -0.000 0.000 0.247 84 R C 1.060 177.117 176.300 -0.405 0.000 1.151 84 R CA 2.045 57.977 56.100 -0.281 0.000 0.971 84 R CB -0.384 29.615 30.300 -0.503 0.000 0.866 84 R HN 0.294 nan 8.270 nan 0.000 0.447 85 Y N 0.277 120.616 120.300 0.066 0.000 2.571 85 Y HA 0.234 4.784 4.550 -0.000 0.000 0.275 85 Y C 0.109 175.973 175.900 -0.059 0.000 1.179 85 Y CA 0.070 58.171 58.100 0.002 0.000 1.242 85 Y CB -0.321 38.127 38.460 -0.021 0.000 1.126 85 Y HN 0.010 nan 8.280 nan 0.000 0.524 86 T N -1.336 113.256 114.554 0.063 0.000 2.930 86 T HA 0.385 4.735 4.350 -0.000 0.000 0.306 86 T C -0.142 174.524 174.700 -0.056 0.000 1.045 86 T CA -0.405 61.675 62.100 -0.033 0.000 1.134 86 T CB 1.347 70.184 68.868 -0.051 0.000 0.961 86 T HN -0.084 nan 8.240 nan 0.000 0.545 87 V N 4.068 123.900 119.914 -0.137 0.000 2.376 87 V HA 0.356 4.476 4.120 -0.000 0.000 0.287 87 V C -0.456 175.572 176.094 -0.110 0.000 1.015 87 V CA -0.962 61.315 62.300 -0.038 0.000 0.834 87 V CB 0.442 32.263 31.823 -0.004 0.000 1.001 87 V HN 0.873 nan 8.190 nan 0.000 0.428 88 F N 3.688 123.664 119.950 0.044 0.000 2.472 88 F HA 0.392 4.918 4.527 -0.000 0.000 0.364 88 F C 0.937 176.754 175.800 0.029 0.000 1.090 88 F CA 0.037 58.060 58.000 0.040 0.000 1.188 88 F CB 0.723 39.743 39.000 0.034 0.000 1.105 88 F HN 0.399 nan 8.300 nan 0.000 0.536 89 Q N 1.260 121.147 119.800 0.145 0.000 2.222 89 Q HA 0.234 4.574 4.340 -0.000 0.000 0.252 89 Q C 0.939 176.995 176.000 0.094 0.000 0.926 89 Q CA -0.175 55.681 55.803 0.089 0.000 0.899 89 Q CB 1.647 30.411 28.738 0.043 0.000 1.250 89 Q HN 0.767 nan 8.270 nan 0.000 0.441 90 T N -3.269 111.325 114.554 0.065 0.000 3.081 90 T HA 0.084 4.433 4.350 -0.000 0.000 0.250 90 T C 0.700 175.422 174.700 0.036 0.000 1.100 90 T CA 0.252 62.383 62.100 0.052 0.000 1.038 90 T CB 0.018 68.910 68.868 0.040 0.000 0.962 90 T HN 0.604 nan 8.240 nan 0.000 0.516 91 T N -1.797 112.774 114.554 0.030 0.000 2.906 91 T HA 0.698 5.048 4.350 -0.000 0.000 0.295 91 T C 0.337 175.044 174.700 0.012 0.000 1.075 91 T CA -0.262 61.848 62.100 0.018 0.000 1.005 91 T CB 1.623 70.498 68.868 0.011 0.000 1.136 91 T HN 1.130 nan 8.240 nan 0.000 0.498 92 G N 0.884 109.684 108.800 0.000 0.000 2.757 92 G HA2 0.266 4.226 3.960 -0.000 0.000 0.638 92 G HA3 0.266 4.226 3.960 -0.000 0.000 0.638 92 G C -0.566 174.325 174.900 -0.016 0.000 1.344 92 G CA -0.406 44.684 45.100 -0.018 0.000 0.855 92 G HN 1.355 nan 8.290 nan 0.000 0.537 93 S N -1.667 114.008 115.700 -0.042 0.000 2.564 93 S HA 0.640 5.110 4.470 -0.000 0.000 0.274 93 S C 0.134 174.696 174.600 -0.063 0.000 1.124 93 S CA -0.286 57.890 58.200 -0.039 0.000 0.869 93 S CB 2.055 65.228 63.200 -0.046 0.000 1.105 93 S HN 1.391 nan 8.310 nan 0.000 0.472 94 V N 4.632 124.521 119.914 -0.042 0.000 2.617 94 V HA 0.118 4.238 4.120 -0.000 0.000 0.304 94 V C -1.694 174.323 176.094 -0.128 0.000 1.040 94 V CA -0.676 61.589 62.300 -0.058 0.000 1.149 94 V CB -0.271 31.534 31.823 -0.030 0.000 0.914 94 V HN 0.663 nan 8.190 nan 0.000 0.487 95 P HA 0.311 nan 4.420 nan 0.000 0.272 95 P C -0.769 176.332 177.300 -0.333 0.000 1.240 95 P CA -0.141 62.770 63.100 -0.316 0.000 0.791 95 P CB 0.960 32.450 31.700 -0.351 0.000 0.978 96 I N 0.394 120.723 120.570 -0.403 0.000 2.478 96 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 96 I C -0.156 175.772 176.117 -0.315 0.000 1.042 96 I CA -0.926 60.199 61.300 -0.292 0.000 1.067 96 I CB 1.950 39.858 38.000 -0.152 0.000 1.233 96 I HN 0.270 nan 8.210 nan 0.000 0.431 97 A N 4.271 126.948 122.820 -0.238 0.000 2.258 97 A HA 0.660 4.980 4.320 -0.000 0.000 0.316 97 A C -0.098 177.440 177.584 -0.077 0.000 1.279 97 A CA -0.399 51.574 52.037 -0.106 0.000 0.876 97 A CB 0.446 19.462 19.000 0.027 0.000 1.170 97 A HN 0.624 nan 8.150 nan 0.000 0.520 98 T N 2.640 117.170 114.554 -0.041 0.000 2.729 98 T HA 0.435 4.784 4.350 -0.000 0.000 0.296 98 T C -0.129 174.574 174.700 0.004 0.000 0.928 98 T CA -0.007 62.071 62.100 -0.036 0.000 1.045 98 T CB 0.451 69.297 68.868 -0.036 0.000 0.902 98 T HN 0.384 nan 8.240 nan 0.000 0.500 99 V N 5.764 125.679 119.914 0.002 0.000 2.409 99 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 99 V C -0.011 176.100 176.094 0.028 0.000 1.020 99 V CA -0.845 61.471 62.300 0.026 0.000 0.848 99 V CB 1.381 33.217 31.823 0.023 0.000 0.990 99 V HN 0.798 nan 8.190 nan 0.000 0.430 100 I N 6.056 126.658 120.570 0.053 0.000 2.307 100 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 100 I C -0.341 175.826 176.117 0.083 0.000 1.021 100 I CA -0.135 61.202 61.300 0.061 0.000 1.224 100 I CB 1.121 39.166 38.000 0.074 0.000 1.376 100 I HN 0.426 nan 8.210 nan 0.000 0.470 101 I N 5.875 126.477 120.570 0.054 0.000 2.312 101 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 101 I C 0.046 176.199 176.117 0.059 0.000 1.008 101 I CA -0.549 60.780 61.300 0.048 0.000 1.226 101 I CB 1.088 39.099 38.000 0.017 0.000 1.371 101 I HN 0.522 nan 8.210 nan 0.000 0.468 102 N N 4.276 123.027 118.700 0.085 0.000 2.401 102 N HA -0.023 4.717 4.740 -0.000 0.000 0.255 102 N C 0.708 176.246 175.510 0.046 0.000 1.110 102 N CA 0.308 53.410 53.050 0.088 0.000 0.949 102 N CB 1.022 39.589 38.487 0.134 0.000 1.110 102 N HN 0.420 nan 8.380 nan 0.000 0.490 103 E N 2.376 122.597 120.200 0.034 0.000 2.478 103 E HA 0.041 4.391 4.350 -0.000 0.000 0.198 103 E C 1.638 178.249 176.600 0.019 0.000 1.046 103 E CA 0.861 57.273 56.400 0.019 0.000 0.870 103 E CB -0.255 29.453 29.700 0.013 0.000 0.818 103 E HN 0.722 nan 8.360 nan 0.000 0.527 104 A N 0.447 123.283 122.820 0.027 0.000 2.019 104 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 104 A C 2.216 179.810 177.584 0.017 0.000 1.164 104 A CA 1.986 54.036 52.037 0.023 0.000 0.644 104 A CB -0.161 18.857 19.000 0.030 0.000 0.805 104 A HN 0.528 nan 8.150 nan 0.000 0.449 105 S N -4.817 110.892 115.700 0.015 0.000 2.684 105 S HA 0.424 4.893 4.470 -0.000 0.000 0.268 105 S C 1.310 175.911 174.600 0.002 0.000 1.075 105 S CA 1.086 59.289 58.200 0.006 0.000 1.184 105 S CB 0.021 63.220 63.200 -0.002 0.000 1.129 105 S HN 1.947 nan 8.310 nan 0.000 0.630 106 G N 2.345 111.148 108.800 0.006 0.000 2.184 106 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 106 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 106 G C 0.251 175.150 174.900 -0.002 0.000 0.975 106 G CA 0.394 45.494 45.100 0.000 0.000 0.642 106 G HN 1.666 nan 8.290 nan 0.000 0.536 107 S N -0.428 115.270 115.700 -0.004 0.000 2.563 107 S HA 0.514 4.984 4.470 -0.000 0.000 0.284 107 S C 0.340 174.944 174.600 0.006 0.000 1.331 107 S CA 0.676 58.866 58.200 -0.016 0.000 1.047 107 S CB 0.982 64.154 63.200 -0.046 0.000 0.859 107 S HN 1.364 nan 8.310 nan 0.000 0.514 108 R N 0.450 120.951 120.500 0.002 0.000 2.513 108 R HA 0.659 4.999 4.340 -0.000 0.000 0.301 108 R C -1.268 175.052 176.300 0.033 0.000 0.968 108 R CA -0.619 55.496 56.100 0.025 0.000 0.872 108 R CB 1.080 31.391 30.300 0.017 0.000 1.177 108 R HN 0.496 nan 8.270 nan 0.000 0.444 109 T N 4.437 119.037 114.554 0.076 0.000 2.792 109 T HA 0.517 4.866 4.350 -0.000 0.000 0.280 109 T C -0.165 174.591 174.700 0.094 0.000 0.990 109 T CA -0.557 61.601 62.100 0.096 0.000 0.960 109 T CB 0.733 69.728 68.868 0.212 0.000 0.939 109 T HN 0.484 nan 8.240 nan 0.000 0.439 110 I N 3.922 124.541 120.570 0.083 0.000 2.389 110 I HA 0.355 4.525 4.170 -0.000 0.000 0.288 110 I C -1.104 175.078 176.117 0.108 0.000 0.999 110 I CA -0.946 60.410 61.300 0.093 0.000 1.129 110 I CB 1.482 39.543 38.000 0.102 0.000 1.288 110 I HN 0.313 nan 8.210 nan 0.000 0.444 111 L N 7.620 128.902 121.223 0.099 0.000 2.276 111 L HA 0.348 4.688 4.340 -0.000 0.000 0.286 111 L C -0.681 176.273 176.870 0.139 0.000 1.024 111 L CA -0.346 54.556 54.840 0.104 0.000 0.826 111 L CB 0.347 42.440 42.059 0.056 0.000 1.211 111 L HN 0.384 nan 8.230 nan 0.000 0.422 112 Y N 3.598 123.927 120.300 0.049 0.000 2.341 112 Y HA 0.373 4.922 4.550 -0.000 0.000 0.340 112 Y C -0.997 174.979 175.900 0.127 0.000 0.997 112 Y CA -0.514 57.623 58.100 0.061 0.000 1.149 112 Y CB 0.863 39.342 38.460 0.032 0.000 1.171 112 Y HN 0.534 nan 8.280 nan 0.000 0.494 113 Y N 6.401 126.511 120.300 -0.316 0.000 2.478 113 Y HA 0.297 4.846 4.550 -0.000 0.000 0.329 113 Y C -0.816 174.912 175.900 -0.286 0.000 0.967 113 Y CA -1.754 56.226 58.100 -0.200 0.000 1.255 113 Y CB 0.392 38.756 38.460 -0.160 0.000 1.103 113 Y HN 0.717 nan 8.280 nan 0.000 0.497 114 D N 3.987 124.218 120.400 -0.282 0.000 2.351 114 D HA 0.270 4.909 4.640 -0.000 0.000 0.251 114 D C -0.050 175.929 176.300 -0.536 0.000 1.137 114 D CA -0.079 53.753 54.000 -0.280 0.000 0.879 114 D CB 0.743 41.556 40.800 0.021 0.000 1.181 114 D HN 0.660 nan 8.370 nan 0.000 0.448 115 R N 2.186 122.429 120.500 -0.428 0.000 2.767 115 R HA 0.201 4.541 4.340 -0.000 0.000 0.377 115 R C -0.290 175.907 176.300 -0.171 0.000 1.151 115 R CA -0.347 55.531 56.100 -0.371 0.000 1.046 115 R CB 0.166 30.240 30.300 -0.378 0.000 1.404 115 R HN 0.418 nan 8.270 nan 0.000 0.580 116 S N 0.852 116.481 115.700 -0.118 0.000 3.682 116 S HA -0.165 4.305 4.470 -0.000 0.000 0.354 116 S C -0.047 174.530 174.600 -0.039 0.000 1.034 116 S CA 0.370 58.535 58.200 -0.058 0.000 1.084 116 S CB -1.068 62.104 63.200 -0.046 0.000 0.903 116 S HN 0.360 nan 8.310 nan 0.000 0.470 117 L N 2.212 123.413 121.223 -0.037 0.000 2.319 117 L HA 0.483 4.823 4.340 -0.000 0.000 0.280 117 L C -1.929 174.935 176.870 -0.009 0.000 1.099 117 L CA -1.549 53.279 54.840 -0.019 0.000 0.828 117 L CB -0.059 41.989 42.059 -0.018 0.000 1.150 117 L HN -0.096 nan 8.230 nan 0.000 0.442 118 P HA 0.098 nan 4.420 nan 0.000 0.269 118 P C -1.096 176.200 177.300 -0.007 0.000 1.215 118 P CA -0.140 62.958 63.100 -0.004 0.000 0.780 118 P CB 0.430 32.132 31.700 0.002 0.000 0.898 119 D N 0.272 120.665 120.400 -0.012 0.000 2.329 119 D HA 0.136 4.776 4.640 -0.000 0.000 0.246 119 D C 0.012 176.298 176.300 -0.024 0.000 1.111 119 D CA -0.226 53.761 54.000 -0.021 0.000 0.941 119 D CB 0.833 41.615 40.800 -0.030 0.000 1.169 119 D HN -0.025 nan 8.370 nan 0.000 0.441 120 V N 1.426 121.317 119.914 -0.038 0.000 2.655 120 V HA 0.110 4.229 4.120 -0.000 0.000 0.300 120 V C 0.843 176.918 176.094 -0.032 0.000 1.044 120 V CA 0.144 62.424 62.300 -0.033 0.000 1.095 120 V CB 1.069 32.858 31.823 -0.055 0.000 0.952 120 V HN 0.646 nan 8.190 nan 0.000 0.485 121 S N 4.001 119.696 115.700 -0.009 0.000 2.747 121 S HA 0.683 5.153 4.470 -0.000 0.000 0.300 121 S C 1.113 175.718 174.600 0.009 0.000 1.121 121 S CA -0.131 58.062 58.200 -0.012 0.000 0.995 121 S CB 1.814 65.013 63.200 -0.002 0.000 1.113 121 S HN 0.954 nan 8.310 nan 0.000 0.547 122 A N 0.996 123.810 122.820 -0.010 0.000 1.933 122 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 122 A C 2.102 179.729 177.584 0.072 0.000 1.175 122 A CA 2.161 54.207 52.037 0.016 0.000 0.628 122 A CB -1.872 17.112 19.000 -0.026 0.000 0.814 122 A HN 0.878 nan 8.150 nan 0.000 0.444 123 T N 0.301 114.880 114.554 0.042 0.000 2.788 123 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 123 T C 1.470 176.200 174.700 0.050 0.000 1.044 123 T CA 1.480 63.604 62.100 0.041 0.000 1.139 123 T CB -0.390 68.493 68.868 0.025 0.000 0.867 123 T HN 0.486 nan 8.240 nan 0.000 0.454 124 D N 0.544 120.978 120.400 0.057 0.000 2.097 124 D HA -0.054 4.585 4.640 -0.000 0.000 0.195 124 D C 1.717 178.053 176.300 0.059 0.000 0.989 124 D CA 0.831 54.867 54.000 0.060 0.000 0.827 124 D CB -0.460 40.375 40.800 0.057 0.000 0.966 124 D HN 0.327 nan 8.370 nan 0.000 0.456 125 F N 1.991 121.901 119.950 -0.067 0.000 2.216 125 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 125 F C 2.169 177.920 175.800 -0.083 0.000 1.085 125 F CA 1.019 58.956 58.000 -0.106 0.000 1.326 125 F CB 0.142 39.065 39.000 -0.128 0.000 1.027 125 F HN -0.190 nan 8.300 nan 0.000 0.497 126 E N 0.505 120.723 120.200 0.031 0.000 2.209 126 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 126 E C 1.844 178.387 176.600 -0.094 0.000 0.993 126 E CA 1.204 57.590 56.400 -0.023 0.000 0.819 126 E CB -0.259 29.457 29.700 0.026 0.000 0.745 126 E HN 0.504 nan 8.360 nan 0.000 0.477 127 K N 0.319 120.668 120.400 -0.085 0.000 2.487 127 K HA 0.076 4.396 4.320 -0.000 0.000 0.192 127 K C 0.427 176.988 176.600 -0.066 0.000 1.027 127 K CA -0.093 56.170 56.287 -0.040 0.000 1.054 127 K CB 0.602 33.119 32.500 0.028 0.000 0.824 127 K HN -0.119 nan 8.250 nan 0.000 0.510 128 V N 2.569 122.300 119.914 -0.305 0.000 2.572 128 V HA -0.043 4.077 4.120 -0.000 0.000 0.291 128 V C 0.163 176.091 176.094 -0.276 0.000 1.039 128 V CA -0.408 61.602 62.300 -0.483 0.000 1.055 128 V CB 0.917 32.107 31.823 -1.056 0.000 0.969 128 V HN 0.157 nan 8.190 nan 0.000 0.482 129 D N 4.293 124.654 120.400 -0.065 0.000 2.374 129 D HA 0.154 4.794 4.640 -0.000 0.000 0.240 129 D C 0.924 177.160 176.300 -0.107 0.000 1.229 129 D CA 0.058 54.031 54.000 -0.045 0.000 0.895 129 D CB 0.818 41.639 40.800 0.034 0.000 1.046 129 D HN 0.465 nan 8.370 nan 0.000 0.498 130 L N 2.719 123.839 121.223 -0.171 0.000 2.376 130 L HA -0.099 4.240 4.340 -0.000 0.000 0.219 130 L C 2.414 179.184 176.870 -0.167 0.000 1.133 130 L CA 1.161 55.871 54.840 -0.217 0.000 0.816 130 L CB -0.517 41.182 42.059 -0.600 0.000 0.933 130 L HN 0.470 nan 8.230 nan 0.000 0.449 131 T N -3.603 110.883 114.554 -0.112 0.000 3.051 131 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 131 T C 1.616 176.225 174.700 -0.151 0.000 1.127 131 T CA 0.755 62.827 62.100 -0.048 0.000 1.107 131 T CB -0.117 68.753 68.868 0.002 0.000 0.898 131 T HN 0.404 nan 8.240 nan 0.000 0.517 132 Q N -0.217 119.362 119.800 -0.368 0.000 2.369 132 Q HA 0.167 4.507 4.340 -0.000 0.000 0.206 132 Q C -0.644 174.933 176.000 -0.705 0.000 0.963 132 Q CA 0.510 55.914 55.803 -0.665 0.000 0.894 132 Q CB 0.075 28.150 28.738 -1.106 0.000 0.965 132 Q HN 0.587 nan 8.270 nan 0.000 0.475 133 F N -0.030 119.934 119.950 0.023 0.000 2.507 133 F HA 0.231 4.758 4.527 -0.000 0.000 0.325 133 F C 0.805 176.652 175.800 0.077 0.000 1.116 133 F CA -1.182 56.851 58.000 0.055 0.000 0.930 133 F CB 1.349 40.369 39.000 0.034 0.000 1.146 133 F HN -0.178 nan 8.300 nan 0.000 0.447 134 K N 1.094 121.681 120.400 0.312 0.000 2.361 134 K HA 0.074 4.394 4.320 -0.000 0.000 0.196 134 K C -0.208 176.579 176.600 0.312 0.000 1.039 134 K CA 0.428 56.867 56.287 0.253 0.000 1.001 134 K CB 1.012 33.644 32.500 0.220 0.000 0.795 134 K HN 0.523 nan 8.250 nan 0.000 0.495 135 W N 1.081 122.469 121.300 0.147 0.000 3.274 135 W HA 0.480 5.140 4.660 -0.000 0.000 0.327 135 W C -2.105 174.459 176.519 0.075 0.000 1.172 135 W CA -1.284 56.124 57.345 0.105 0.000 1.217 135 W CB 1.399 30.914 29.460 0.091 0.000 1.376 135 W HN -0.152 nan 8.180 nan 0.000 0.507 136 I N 4.968 125.628 120.570 0.151 0.000 2.447 136 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 136 I C -0.816 175.439 176.117 0.231 0.000 1.023 136 I CA -0.776 60.599 61.300 0.124 0.000 1.083 136 I CB 2.221 40.215 38.000 -0.010 0.000 1.245 136 I HN 0.322 nan 8.210 nan 0.000 0.434 137 H N 7.032 126.219 119.070 0.196 0.000 2.481 137 H HA 0.615 5.171 4.556 -0.000 0.000 0.333 137 H C -1.300 174.056 175.328 0.045 0.000 1.066 137 H CA -0.399 55.769 56.048 0.201 0.000 1.209 137 H CB 1.260 31.185 29.762 0.271 0.000 1.445 137 H HN 0.436 nan 8.280 nan 0.000 0.488 138 I N 4.698 124.974 120.570 -0.489 0.000 2.355 138 I HA 0.155 4.325 4.170 -0.000 0.000 0.288 138 I C -0.021 175.784 176.117 -0.520 0.000 0.999 138 I CA -0.680 60.361 61.300 -0.430 0.000 1.163 138 I CB 1.546 39.356 38.000 -0.316 0.000 1.316 138 I HN 0.631 nan 8.210 nan 0.000 0.454 139 E N 5.771 125.746 120.200 -0.374 0.000 2.180 139 E HA 0.236 4.586 4.350 -0.000 0.000 0.283 139 E C 0.320 176.826 176.600 -0.157 0.000 1.061 139 E CA -0.518 55.755 56.400 -0.213 0.000 0.861 139 E CB 1.074 30.718 29.700 -0.092 0.000 1.056 139 E HN 0.802 nan 8.360 nan 0.000 0.407 140 G N 3.998 112.717 108.800 -0.134 0.000 2.254 140 G HA2 0.007 3.967 3.960 -0.000 0.000 0.253 140 G HA3 0.007 3.967 3.960 -0.000 0.000 0.253 140 G C 0.275 175.122 174.900 -0.088 0.000 1.246 140 G CA 0.010 45.042 45.100 -0.114 0.000 0.946 140 G HN 0.662 nan 8.290 nan 0.000 0.474 141 R N 1.434 121.881 120.500 -0.089 0.000 5.328 141 R HA 0.063 4.402 4.340 -0.000 0.000 0.106 141 R C -0.068 176.193 176.300 -0.066 0.000 1.206 141 R CA 0.310 56.368 56.100 -0.071 0.000 0.839 141 R CB -0.078 30.182 30.300 -0.067 0.000 1.258 141 R HN 0.523 nan 8.270 nan 0.000 0.391 142 N N 1.284 119.939 118.700 -0.075 0.000 2.678 142 N HA 0.285 5.025 4.740 -0.000 0.000 0.231 142 N C -0.016 175.444 175.510 -0.085 0.000 1.038 142 N CA 0.355 53.364 53.050 -0.068 0.000 0.932 142 N CB 1.414 39.865 38.487 -0.061 0.000 1.176 142 N HN 0.489 nan 8.380 nan 0.000 0.511 143 A N 2.168 124.946 122.820 -0.071 0.000 1.930 143 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 143 A C 2.192 179.720 177.584 -0.093 0.000 1.175 143 A CA 1.618 53.606 52.037 -0.082 0.000 0.627 143 A CB -0.716 18.259 19.000 -0.042 0.000 0.815 143 A HN 0.726 nan 8.150 nan 0.000 0.443 144 S N -0.052 115.607 115.700 -0.068 0.000 2.368 144 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 144 S C 1.675 176.216 174.600 -0.098 0.000 1.030 144 S CA 1.448 59.607 58.200 -0.067 0.000 0.999 144 S CB -0.421 62.754 63.200 -0.041 0.000 0.844 144 S HN 0.539 nan 8.310 nan 0.000 0.459 145 E N 1.566 121.706 120.200 -0.100 0.000 2.072 145 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 145 E C 2.384 178.874 176.600 -0.184 0.000 0.985 145 E CA 1.141 57.472 56.400 -0.115 0.000 0.801 145 E CB -0.482 29.163 29.700 -0.091 0.000 0.750 145 E HN 0.741 nan 8.360 nan 0.000 0.452 146 Q N 0.314 119.986 119.800 -0.213 0.000 2.167 146 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 146 Q C 2.314 178.082 176.000 -0.386 0.000 0.970 146 Q CA 0.849 56.468 55.803 -0.306 0.000 0.855 146 Q CB 0.041 28.618 28.738 -0.268 0.000 0.911 146 Q HN 0.075 nan 8.270 nan 0.000 0.438 147 V N 1.275 120.976 119.914 -0.354 0.000 2.343 147 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 147 V C 1.197 177.021 176.094 -0.451 0.000 1.051 147 V CA 1.482 63.468 62.300 -0.524 0.000 1.036 147 V CB -0.384 31.232 31.823 -0.345 0.000 0.654 147 V HN 0.301 nan 8.190 nan 0.000 0.451 151 Q N 0.809 120.490 119.800 -0.198 0.000 2.170 151 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 151 Q C 1.972 177.984 176.000 0.020 0.000 0.976 151 Q CA 1.937 57.723 55.803 -0.027 0.000 0.858 151 Q CB 0.018 28.740 28.738 -0.027 0.000 0.907 151 Q HN 0.306 nan 8.270 nan 0.000 0.433 152 R N 0.868 121.380 120.500 0.019 0.000 2.066 152 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 152 R C 2.047 178.431 176.300 0.140 0.000 1.131 152 R CA 1.212 57.375 56.100 0.105 0.000 0.955 152 R CB -0.146 30.272 30.300 0.196 0.000 0.851 152 R HN 0.208 nan 8.270 nan 0.000 0.432 153 I N 1.110 121.756 120.570 0.127 0.000 2.179 153 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 153 I C 1.802 177.997 176.117 0.131 0.000 1.088 153 I CA 1.322 62.699 61.300 0.128 0.000 1.357 153 I CB -0.437 37.602 38.000 0.065 0.000 1.051 153 I HN 0.202 nan 8.210 nan 0.000 0.409 154 D N 1.224 121.675 120.400 0.086 0.000 2.106 154 D HA -0.208 4.431 4.640 -0.000 0.000 0.191 154 D C 2.266 178.613 176.300 0.079 0.000 0.997 154 D CA 1.852 55.900 54.000 0.079 0.000 0.834 154 D CB -0.274 40.580 40.800 0.090 0.000 0.956 154 D HN 0.370 nan 8.370 nan 0.000 0.448 155 A N 0.199 123.070 122.820 0.085 0.000 1.908 155 A HA -0.253 4.066 4.320 -0.000 0.000 0.218 155 A C 2.047 179.678 177.584 0.078 0.000 1.181 155 A CA 2.227 54.306 52.037 0.070 0.000 0.627 155 A CB -1.057 17.983 19.000 0.066 0.000 0.818 155 A HN 0.423 nan 8.150 nan 0.000 0.445 156 H N 0.310 119.397 119.070 0.028 0.000 2.319 156 H HA -0.150 4.406 4.556 -0.000 0.000 0.297 156 H C 1.898 177.236 175.328 0.016 0.000 1.097 156 H CA 2.247 58.309 56.048 0.024 0.000 1.285 156 H CB -0.112 29.671 29.762 0.035 0.000 1.368 156 H HN 0.410 nan 8.280 nan 0.000 0.495 157 N N -0.494 118.238 118.700 0.054 0.000 2.309 157 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 157 N C 1.890 177.368 175.510 -0.053 0.000 1.018 157 N CA 1.524 54.573 53.050 -0.002 0.000 0.876 157 N CB -0.607 37.914 38.487 0.056 0.000 0.972 157 N HN 0.704 nan 8.380 nan 0.000 0.434 158 T N -1.739 112.793 114.554 -0.036 0.000 2.977 158 T HA -0.029 4.321 4.350 -0.000 0.000 0.271 158 T C 1.463 176.124 174.700 -0.064 0.000 1.105 158 T CA 0.815 62.893 62.100 -0.037 0.000 1.116 158 T CB -0.042 68.816 68.868 -0.016 0.000 0.878 158 T HN 0.183 nan 8.240 nan 0.000 0.509 159 R N 0.504 120.934 120.500 -0.118 0.000 2.393 159 R HA 0.260 4.600 4.340 -0.000 0.000 0.244 159 R C -0.065 176.147 176.300 -0.146 0.000 0.920 159 R CA -0.171 55.852 56.100 -0.127 0.000 1.076 159 R CB 0.359 30.575 30.300 -0.141 0.000 1.119 159 R HN 0.398 nan 8.270 nan 0.000 0.524 160 Q N 1.269 120.982 119.800 -0.144 0.000 2.309 160 Q HA 0.373 4.713 4.340 -0.000 0.000 0.264 160 Q C -2.271 173.696 176.000 -0.055 0.000 1.008 160 Q CA -2.487 53.250 55.803 -0.110 0.000 0.853 160 Q CB 1.358 30.027 28.738 -0.114 0.000 1.314 160 Q HN -0.027 nan 8.270 nan 0.000 0.448 161 P HA 0.078 nan 4.420 nan 0.000 0.271 161 P C -1.917 175.376 177.300 -0.012 0.000 1.233 161 P CA -0.987 62.101 63.100 -0.020 0.000 0.789 161 P CB -0.002 31.690 31.700 -0.013 0.000 0.951 162 P HA -0.230 nan 4.420 nan 0.000 0.219 162 P C 1.385 178.689 177.300 0.007 0.000 1.161 162 P CA 1.597 64.697 63.100 -0.001 0.000 0.909 162 P CB -0.238 31.461 31.700 -0.000 0.000 0.793 163 E N -1.709 118.496 120.200 0.010 0.000 2.427 163 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 163 E C 1.891 178.508 176.600 0.029 0.000 1.028 163 E CA 0.566 56.977 56.400 0.018 0.000 0.864 163 E CB -0.859 28.850 29.700 0.015 0.000 0.813 163 E HN 0.375 nan 8.360 nan 0.000 0.514 164 Q N -0.406 119.409 119.800 0.025 0.000 2.247 164 Q HA 0.117 4.456 4.340 -0.000 0.000 0.204 164 Q C 0.389 176.425 176.000 0.061 0.000 0.872 164 Q CA -0.087 55.741 55.803 0.042 0.000 0.951 164 Q CB 0.509 29.262 28.738 0.026 0.000 1.099 164 Q HN 0.258 nan 8.270 nan 0.000 0.501 165 K N 0.728 121.153 120.400 0.041 0.000 2.368 165 K HA 0.327 4.647 4.320 -0.000 0.000 0.282 165 K C 0.163 176.796 176.600 0.056 0.000 1.035 165 K CA -0.167 56.146 56.287 0.043 0.000 0.973 165 K CB 0.163 32.669 32.500 0.009 0.000 0.957 165 K HN 0.419 nan 8.250 nan 0.000 0.474 166 I N 4.554 125.173 120.570 0.083 0.000 2.379 166 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 166 I C 0.905 176.961 176.117 -0.103 0.000 1.063 166 I CA -0.340 60.984 61.300 0.041 0.000 1.351 166 I CB 0.583 38.630 38.000 0.077 0.000 1.410 166 I HN 0.335 nan 8.210 nan 0.000 0.505 167 R N 5.468 125.826 120.500 -0.237 0.000 2.539 167 R HA 0.513 4.852 4.340 -0.000 0.000 0.275 167 R C -0.681 175.070 176.300 -0.914 0.000 1.077 167 R CA -0.544 55.181 56.100 -0.626 0.000 1.097 167 R CB 1.023 30.752 30.300 -0.951 0.000 1.018 167 R HN 0.313 nan 8.270 nan 0.000 0.483 168 V N 1.509 120.945 119.914 -0.797 0.000 2.638 168 V HA 0.363 4.483 4.120 -0.000 0.000 0.306 168 V C -0.197 175.699 176.094 -0.330 0.000 1.052 168 V CA -0.752 61.248 62.300 -0.500 0.000 0.885 168 V CB 2.080 33.771 31.823 -0.220 0.000 0.999 168 V HN 0.958 nan 8.190 nan 0.000 0.424 169 S N 3.371 119.093 115.700 0.036 0.000 2.568 169 S HA 0.906 5.376 4.470 -0.000 0.000 0.302 169 S C -0.937 173.842 174.600 0.300 0.000 1.082 169 S CA -0.815 57.610 58.200 0.374 0.000 1.009 169 S CB 2.175 65.923 63.200 0.913 0.000 1.069 169 S HN 0.441 nan 8.310 nan 0.000 0.500 170 V N 1.361 121.410 119.914 0.225 0.000 2.656 170 V HA 0.531 4.650 4.120 -0.000 0.000 0.307 170 V C -0.491 175.714 176.094 0.185 0.000 1.051 170 V CA -0.607 61.722 62.300 0.047 0.000 0.893 170 V CB 1.800 33.587 31.823 -0.060 0.000 0.999 170 V HN 1.009 nan 8.190 nan 0.000 0.426 171 E N 2.678 122.918 120.200 0.066 0.000 2.151 171 E HA 0.564 4.914 4.350 -0.000 0.000 0.275 171 E C -1.624 174.965 176.600 -0.019 0.000 0.936 171 E CA -0.457 56.029 56.400 0.142 0.000 0.777 171 E CB 2.067 31.871 29.700 0.173 0.000 1.108 171 E HN 0.470 nan 8.360 nan 0.000 0.401 172 V N 3.842 123.735 119.914 -0.036 0.000 2.293 172 V HA 0.111 4.231 4.120 -0.000 0.000 0.275 172 V C 0.577 176.683 176.094 0.021 0.000 1.021 172 V CA -0.287 61.969 62.300 -0.073 0.000 0.815 172 V CB 1.094 32.780 31.823 -0.228 0.000 1.025 172 V HN 0.695 nan 8.190 nan 0.000 0.448 173 E N 2.180 122.387 120.200 0.010 0.000 2.474 173 E HA 0.106 4.456 4.350 -0.000 0.000 0.215 173 E C 0.687 177.281 176.600 -0.010 0.000 0.867 173 E CA 0.134 56.544 56.400 0.017 0.000 1.135 173 E CB 0.985 30.691 29.700 0.009 0.000 1.147 173 E HN 0.581 nan 8.360 nan 0.000 0.534 174 K N 1.936 122.317 120.400 -0.032 0.000 2.130 174 K HA 0.495 4.814 4.320 -0.000 0.000 0.268 174 K C -2.632 173.940 176.600 -0.047 0.000 0.983 174 K CA -1.667 54.581 56.287 -0.066 0.000 0.893 174 K CB 1.259 33.704 32.500 -0.091 0.000 1.066 174 K HN 0.295 nan 8.250 nan 0.000 0.450 175 P HA 0.309 nan 4.420 nan 0.000 0.241 175 P C -0.916 176.338 177.300 -0.077 0.000 1.780 175 P CA -0.482 62.568 63.100 -0.083 0.000 1.111 175 P CB 0.300 31.856 31.700 -0.239 0.000 1.852 176 R N 1.834 122.320 120.500 -0.024 0.000 2.513 176 R HA 0.201 4.541 4.340 -0.000 0.000 0.301 176 R C 1.139 177.453 176.300 0.023 0.000 0.968 176 R CA -0.539 55.551 56.100 -0.016 0.000 0.872 176 R CB 0.769 31.050 30.300 -0.030 0.000 1.177 176 R HN 0.077 nan 8.270 nan 0.000 0.444 177 E N 2.163 122.377 120.200 0.023 0.000 2.160 177 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 177 E C 0.548 177.179 176.600 0.052 0.000 0.991 177 E CA 1.997 58.423 56.400 0.043 0.000 0.810 177 E CB 0.412 30.127 29.700 0.026 0.000 0.742 177 E HN 0.649 nan 8.360 nan 0.000 0.466 178 E N 0.480 120.699 120.200 0.031 0.000 2.209 178 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 178 E C 2.362 178.987 176.600 0.042 0.000 0.993 178 E CA 1.189 57.605 56.400 0.027 0.000 0.819 178 E CB -1.297 28.406 29.700 0.005 0.000 0.745 178 E HN 0.521 nan 8.360 nan 0.000 0.477 179 L N -0.562 120.692 121.223 0.052 0.000 2.465 179 L HA 0.017 4.357 4.340 -0.000 0.000 0.224 179 L C 2.571 179.540 176.870 0.166 0.000 1.145 179 L CA 0.998 55.876 54.840 0.063 0.000 0.834 179 L CB -0.788 41.292 42.059 0.037 0.000 0.944 179 L HN 0.224 nan 8.230 nan 0.000 0.451 180 F N -0.076 120.009 119.950 0.225 0.000 2.161 180 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 180 F C 2.716 178.730 175.800 0.355 0.000 1.089 180 F CA 1.446 59.664 58.000 0.364 0.000 1.282 180 F CB -0.632 38.464 39.000 0.160 0.000 1.010 180 F HN 0.346 nan 8.300 nan 0.000 0.485 181 Q N -0.273 119.648 119.800 0.203 0.000 2.152 181 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 181 Q C 2.195 178.346 176.000 0.252 0.000 0.985 181 Q CA 1.905 57.819 55.803 0.184 0.000 0.863 181 Q CB -0.396 28.414 28.738 0.120 0.000 0.904 181 Q HN 0.546 nan 8.270 nan 0.000 0.422 182 L N -0.626 120.708 121.223 0.185 0.000 2.275 182 L HA -0.138 4.201 4.340 -0.000 0.000 0.215 182 L C 1.903 178.847 176.870 0.124 0.000 1.119 182 L CA 0.470 55.386 54.840 0.127 0.000 0.790 182 L CB -0.339 41.690 42.059 -0.050 0.000 0.919 182 L HN 0.234 nan 8.230 nan 0.000 0.443 183 F N 0.504 120.497 119.950 0.071 0.000 2.202 183 F HA -0.173 4.353 4.527 -0.000 0.000 0.301 183 F C 2.403 178.174 175.800 -0.049 0.000 1.082 183 F CA 1.437 59.444 58.000 0.011 0.000 1.313 183 F CB -0.716 38.275 39.000 -0.015 0.000 1.024 183 F HN 0.065 nan 8.300 nan 0.000 0.495 184 G N -2.202 106.661 108.800 0.105 0.000 2.848 184 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.208 184 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.208 184 G C -0.256 174.347 174.900 -0.495 0.000 1.152 184 G CA 0.160 45.140 45.100 -0.200 0.000 0.789 184 G HN 0.269 nan 8.290 nan 0.000 0.531 185 Y N -1.200 119.077 120.300 -0.039 0.000 2.602 185 Y HA 0.606 5.156 4.550 -0.000 0.000 0.342 185 Y C 0.725 176.575 175.900 -0.084 0.000 1.029 185 Y CA -0.427 57.633 58.100 -0.067 0.000 1.080 185 Y CB 1.941 40.351 38.460 -0.083 0.000 1.284 185 Y HN 0.349 nan 8.280 nan 0.000 0.485 186 G N 1.207 110.046 108.800 0.066 0.000 2.692 186 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 186 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 186 G C -0.415 174.448 174.900 -0.063 0.000 1.243 186 G CA -0.288 44.797 45.100 -0.025 0.000 0.782 186 G HN 0.651 nan 8.290 nan 0.000 0.625 187 D N -1.006 119.326 120.400 -0.113 0.000 2.213 187 D HA 0.082 4.722 4.640 -0.000 0.000 0.205 187 D C 1.175 177.439 176.300 -0.059 0.000 0.961 187 D CA 1.561 55.499 54.000 -0.102 0.000 0.853 187 D CB 0.561 41.255 40.800 -0.176 0.000 0.967 187 D HN 0.359 nan 8.370 nan 0.000 0.496 188 V N 1.459 121.339 119.914 -0.057 0.000 2.588 188 V HA 0.314 4.434 4.120 -0.000 0.000 0.304 188 V C -0.211 175.807 176.094 -0.126 0.000 1.042 188 V CA -0.807 61.440 62.300 -0.088 0.000 0.877 188 V CB 2.757 34.546 31.823 -0.057 0.000 0.996 188 V HN -0.254 nan 8.190 nan 0.000 0.425 189 V N 4.703 124.511 119.914 -0.178 0.000 2.444 189 V HA 0.533 4.653 4.120 -0.000 0.000 0.294 189 V C -0.858 175.138 176.094 -0.163 0.000 1.022 189 V CA -0.492 61.731 62.300 -0.128 0.000 0.850 189 V CB 1.540 33.313 31.823 -0.083 0.000 0.992 189 V HN 0.668 nan 8.190 nan 0.000 0.426 190 F N 3.655 123.661 119.950 0.094 0.000 2.415 190 F HA 0.604 5.131 4.527 -0.000 0.000 0.348 190 F C 0.160 176.007 175.800 0.079 0.000 1.119 190 F CA -0.597 57.489 58.000 0.144 0.000 1.069 190 F CB 1.827 40.945 39.000 0.195 0.000 1.124 190 F HN 0.293 nan 8.300 nan 0.000 0.472 191 V N 4.379 124.478 119.914 0.307 0.000 2.448 191 V HA 0.531 4.650 4.120 -0.000 0.000 0.295 191 V C -0.239 175.996 176.094 0.236 0.000 1.025 191 V CA -0.556 61.897 62.300 0.254 0.000 0.859 191 V CB 1.648 33.671 31.823 0.333 0.000 0.988 191 V HN 0.841 nan 8.190 nan 0.000 0.431 192 S N 5.074 120.873 115.700 0.166 0.000 2.592 192 S HA 0.236 4.705 4.470 -0.000 0.000 0.271 192 S C 1.157 175.773 174.600 0.026 0.000 1.326 192 S CA 0.253 58.501 58.200 0.080 0.000 1.024 192 S CB 1.125 64.347 63.200 0.037 0.000 0.921 192 S HN 0.945 nan 8.310 nan 0.000 0.527 193 K N 0.953 121.266 120.400 -0.145 0.000 2.074 193 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 193 K C 1.519 177.937 176.600 -0.305 0.000 1.048 193 K CA 2.164 58.160 56.287 -0.485 0.000 0.926 193 K CB -0.536 31.417 32.500 -0.911 0.000 0.713 193 K HN 0.782 nan 8.250 nan 0.000 0.444 194 D N 0.078 120.388 120.400 -0.149 0.000 2.097 194 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 194 D C 1.847 178.248 176.300 0.169 0.000 0.989 194 D CA 1.266 55.265 54.000 -0.002 0.000 0.827 194 D CB 0.003 40.818 40.800 0.026 0.000 0.966 194 D HN 0.096 nan 8.370 nan 0.000 0.456 195 V N 0.824 120.824 119.914 0.143 0.000 2.295 195 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 195 V C 2.629 178.888 176.094 0.276 0.000 1.049 195 V CA 1.870 64.291 62.300 0.201 0.000 1.024 195 V CB -1.038 30.896 31.823 0.186 0.000 0.648 195 V HN 0.352 nan 8.190 nan 0.000 0.447 196 A N -0.286 122.714 122.820 0.301 0.000 1.873 196 A HA -0.292 4.027 4.320 -0.000 0.000 0.218 196 A C 2.296 180.151 177.584 0.451 0.000 1.193 196 A CA 2.306 54.644 52.037 0.502 0.000 0.629 196 A CB -0.531 18.787 19.000 0.530 0.000 0.826 196 A HN 0.543 nan 8.150 nan 0.000 0.447 197 K N -1.542 119.006 120.400 0.248 0.000 2.057 197 K HA -0.185 4.134 4.320 -0.000 0.000 0.207 197 K C 1.965 178.570 176.600 0.008 0.000 1.049 197 K CA 1.791 58.154 56.287 0.127 0.000 0.931 197 K CB -0.357 32.126 32.500 -0.029 0.000 0.714 197 K HN 0.699 nan 8.250 nan 0.000 0.440 198 H N 0.391 119.489 119.070 0.045 0.000 2.421 198 H HA -0.032 4.524 4.556 -0.000 0.000 0.298 198 H C 1.546 176.860 175.328 -0.024 0.000 1.087 198 H CA 1.047 57.102 56.048 0.011 0.000 1.330 198 H CB 0.042 29.813 29.762 0.014 0.000 1.388 198 H HN 0.039 nan 8.280 nan 0.000 0.526 199 L N -0.794 120.478 121.223 0.081 0.000 2.599 199 L HA 0.098 4.438 4.340 -0.000 0.000 0.230 199 L C 1.509 178.115 176.870 -0.440 0.000 1.141 199 L CA 0.561 55.333 54.840 -0.112 0.000 0.877 199 L CB 0.168 42.229 42.059 0.004 0.000 1.009 199 L HN 0.582 nan 8.230 nan 0.000 0.447 200 G N -0.858 107.770 108.800 -0.288 0.000 2.176 200 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 200 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 200 G C 0.084 174.834 174.900 -0.250 0.000 0.986 200 G CA -0.523 44.396 45.100 -0.303 0.000 0.643 200 G HN 0.140 nan 8.290 nan 0.000 0.522 201 F N 0.732 120.753 119.950 0.118 0.000 2.384 201 F HA 0.614 5.141 4.527 -0.000 0.000 0.338 201 F C 1.354 177.280 175.800 0.210 0.000 1.103 201 F CA -0.545 57.538 58.000 0.139 0.000 1.157 201 F CB 1.258 40.362 39.000 0.174 0.000 1.167 201 F HN -0.087 nan 8.300 nan 0.000 0.529 202 Q N 0.873 120.850 119.800 0.295 0.000 2.194 202 Q HA 0.185 4.524 4.340 -0.000 0.000 0.214 202 Q C -0.355 175.577 176.000 -0.114 0.000 0.838 202 Q CA 0.050 55.973 55.803 0.199 0.000 0.972 202 Q CB 0.793 29.593 28.738 0.104 0.000 1.131 202 Q HN 0.752 nan 8.270 nan 0.000 0.498 203 S N -2.592 112.814 115.700 -0.490 0.000 2.615 203 S HA 0.671 5.141 4.470 -0.000 0.000 0.269 203 S C 0.489 174.401 174.600 -1.147 0.000 1.161 203 S CA -0.247 57.246 58.200 -1.178 0.000 0.817 203 S CB 1.211 64.055 63.200 -0.593 0.000 1.131 203 S HN -0.029 nan 8.310 nan 0.000 0.467 204 A N 0.806 122.966 122.820 -1.101 0.000 1.898 204 A HA -0.014 4.305 4.320 -0.000 0.000 0.216 204 A C 1.959 179.429 177.584 -0.191 0.000 1.181 204 A CA 1.798 53.647 52.037 -0.313 0.000 0.620 204 A CB -1.189 17.798 19.000 -0.022 0.000 0.819 204 A HN 0.999 nan 8.150 nan 0.000 0.442 205 E N -0.149 119.917 120.200 -0.223 0.000 2.077 205 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 205 E C 1.985 178.482 176.600 -0.171 0.000 0.989 205 E CA 1.360 57.669 56.400 -0.152 0.000 0.800 205 E CB -0.210 29.405 29.700 -0.141 0.000 0.746 205 E HN 0.736 nan 8.360 nan 0.000 0.452 206 E N -0.060 120.021 120.200 -0.199 0.000 2.058 206 E HA -0.235 4.114 4.350 -0.000 0.000 0.194 206 E C 1.942 178.296 176.600 -0.410 0.000 0.997 206 E CA 1.170 57.474 56.400 -0.160 0.000 0.801 206 E CB -0.181 29.507 29.700 -0.019 0.000 0.746 206 E HN 0.369 nan 8.360 nan 0.000 0.450 207 A N 0.899 123.411 122.820 -0.514 0.000 1.898 207 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 207 A C 2.202 179.449 177.584 -0.562 0.000 1.181 207 A CA 1.055 52.511 52.037 -0.969 0.000 0.620 207 A CB -0.581 18.276 19.000 -0.239 0.000 0.819 207 A HN 0.291 nan 8.150 nan 0.000 0.442 208 L N -1.067 120.019 121.223 -0.229 0.000 2.017 208 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 208 L C 2.863 179.695 176.870 -0.063 0.000 1.073 208 L CA 1.445 56.246 54.840 -0.064 0.000 0.745 208 L CB -0.508 41.550 42.059 -0.001 0.000 0.894 208 L HN 0.340 nan 8.230 nan 0.000 0.432 209 R N -0.115 120.314 120.500 -0.118 0.000 2.115 209 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 209 R C 2.261 178.521 176.300 -0.066 0.000 1.111 209 R CA 1.220 57.278 56.100 -0.070 0.000 0.976 209 R CB -0.571 29.688 30.300 -0.069 0.000 0.870 209 R HN 0.428 nan 8.270 nan 0.000 0.445 210 G N 0.213 108.891 108.800 -0.204 0.000 2.511 210 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 210 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 210 G C 1.253 176.126 174.900 -0.046 0.000 1.133 210 G CA 0.188 45.233 45.100 -0.092 0.000 0.792 210 G HN 0.151 nan 8.290 nan 0.000 0.539 211 L N -1.774 119.366 121.223 -0.138 0.000 2.781 211 L HA 0.316 4.656 4.340 -0.000 0.000 0.245 211 L C 2.014 178.834 176.870 -0.083 0.000 1.118 211 L CA -0.293 54.461 54.840 -0.144 0.000 0.918 211 L CB 0.117 42.067 42.059 -0.183 0.000 1.246 211 L HN 0.113 nan 8.230 nan 0.000 0.526 212 Y N 1.728 121.984 120.300 -0.074 0.000 2.315 212 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 212 Y C 2.254 178.135 175.900 -0.032 0.000 1.154 212 Y CA 1.506 59.589 58.100 -0.029 0.000 1.229 212 Y CB -0.217 38.228 38.460 -0.024 0.000 0.980 212 Y HN 0.147 nan 8.280 nan 0.000 0.540 213 G N -0.149 108.646 108.800 -0.007 0.000 2.475 213 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 213 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 213 G C 1.747 176.563 174.900 -0.140 0.000 1.125 213 G CA 0.987 46.055 45.100 -0.052 0.000 0.755 213 G HN 0.393 nan 8.290 nan 0.000 0.565 214 R N -0.241 120.144 120.500 -0.191 0.000 2.200 214 R HA 0.175 4.515 4.340 -0.000 0.000 0.208 214 R C 1.317 177.545 176.300 -0.120 0.000 1.033 214 R CA 0.323 56.319 56.100 -0.173 0.000 1.000 214 R CB -0.086 30.026 30.300 -0.313 0.000 0.906 214 R HN 0.411 nan 8.270 nan 0.000 0.462 215 V N 0.641 120.420 119.914 -0.226 0.000 3.133 215 V HA 0.221 4.341 4.120 -0.000 0.000 0.305 215 V C 0.334 176.278 176.094 -0.250 0.000 1.084 215 V CA -1.133 61.035 62.300 -0.221 0.000 1.089 215 V CB 0.954 32.576 31.823 -0.336 0.000 1.073 215 V HN 0.214 nan 8.190 nan 0.000 0.477 216 R N 1.486 121.866 120.500 -0.199 0.000 2.560 216 R HA 0.436 4.775 4.340 -0.000 0.000 0.270 216 R C 0.013 176.237 176.300 -0.127 0.000 1.074 216 R CA -0.813 55.184 56.100 -0.172 0.000 1.140 216 R CB 0.526 30.714 30.300 -0.187 0.000 1.073 216 R HN 0.796 nan 8.270 nan 0.000 0.527 217 K N 0.374 120.726 120.400 -0.081 0.000 2.491 217 K HA 0.014 4.334 4.320 -0.000 0.000 0.279 217 K C 0.648 177.244 176.600 -0.006 0.000 1.026 217 K CA 1.629 57.901 56.287 -0.024 0.000 1.070 217 K CB 0.001 32.491 32.500 -0.017 0.000 0.887 217 K HN 0.862 nan 8.250 nan 0.000 0.481 218 G N 1.893 110.719 108.800 0.044 0.000 2.234 218 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.235 218 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.235 218 G C 0.127 175.061 174.900 0.056 0.000 0.997 218 G CA 0.001 45.128 45.100 0.045 0.000 0.623 218 G HN 0.932 nan 8.290 nan 0.000 0.514 219 A N -0.038 122.806 122.820 0.041 0.000 2.351 219 A HA 0.687 5.007 4.320 -0.000 0.000 0.257 219 A C 0.407 178.070 177.584 0.133 0.000 1.087 219 A CA 0.417 52.470 52.037 0.026 0.000 0.798 219 A CB 1.038 20.005 19.000 -0.054 0.000 1.033 219 A HN 1.155 nan 8.150 nan 0.000 0.488 220 V N 2.852 122.820 119.914 0.090 0.000 2.394 220 V HA 0.326 4.446 4.120 -0.000 0.000 0.282 220 V C -0.238 175.911 176.094 0.092 0.000 1.031 220 V CA -0.424 61.951 62.300 0.126 0.000 0.881 220 V CB 0.992 32.852 31.823 0.063 0.000 0.982 220 V HN 0.759 nan 8.190 nan 0.000 0.451 221 L N 6.651 127.993 121.223 0.199 0.000 2.307 221 L HA 0.700 5.040 4.340 -0.000 0.000 0.282 221 L C -0.411 176.529 176.870 0.118 0.000 1.051 221 L CA 0.248 55.181 54.840 0.155 0.000 0.804 221 L CB 1.675 43.900 42.059 0.276 0.000 1.197 221 L HN 0.453 nan 8.230 nan 0.000 0.431 222 V N 4.241 124.203 119.914 0.080 0.000 2.588 222 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 222 V C -0.932 175.335 176.094 0.288 0.000 1.042 222 V CA -0.624 61.773 62.300 0.161 0.000 0.877 222 V CB 1.709 33.568 31.823 0.060 0.000 0.996 222 V HN 0.893 nan 8.190 nan 0.000 0.425 223 C N 5.294 124.767 119.300 0.288 0.000 2.442 223 C HA 0.832 5.292 4.460 -0.000 0.000 0.335 223 C C 0.461 175.577 174.990 0.210 0.000 1.134 223 C CA -0.402 58.784 59.018 0.280 0.000 1.344 223 C CB -0.050 27.860 27.740 0.283 0.000 1.956 223 C HN 1.090 nan 8.230 nan 0.000 0.438 224 A N 5.131 127.972 122.820 0.035 0.000 2.327 224 A HA 0.660 4.980 4.320 -0.000 0.000 0.283 224 A C -0.285 177.302 177.584 0.005 0.000 1.127 224 A CA -0.277 51.597 52.037 -0.272 0.000 0.810 224 A CB 0.438 18.836 19.000 -1.003 0.000 1.066 224 A HN 1.038 nan 8.150 nan 0.000 0.492 225 W N 2.551 123.756 121.300 -0.159 0.000 1.259 225 W HA 0.425 5.084 4.660 -0.000 0.000 0.299 225 W C 0.542 177.028 176.519 -0.054 0.000 0.843 225 W CA 0.104 57.412 57.345 -0.063 0.000 2.171 225 W CB 0.299 29.756 29.460 -0.006 0.000 1.945 225 W HN 1.345 nan 8.180 nan 0.000 0.493 226 A N 1.278 124.081 122.820 -0.029 0.000 5.251 226 A HA -0.407 3.912 4.320 -0.000 0.000 0.334 226 A C 1.400 179.018 177.584 0.057 0.000 1.764 226 A CA 2.371 54.396 52.037 -0.020 0.000 0.708 226 A CB -1.330 17.631 19.000 -0.065 0.000 1.420 226 A HN 0.496 nan 8.150 nan 0.000 0.394 227 E N 0.727 120.974 120.200 0.078 0.000 2.401 227 E HA -0.078 4.272 4.350 -0.000 0.000 0.199 227 E C 0.856 177.524 176.600 0.113 0.000 1.023 227 E CA 0.897 57.347 56.400 0.082 0.000 0.859 227 E CB -0.081 29.660 29.700 0.068 0.000 0.780 227 E HN 0.539 nan 8.360 nan 0.000 0.523 228 E N 0.225 120.537 120.200 0.188 0.000 2.444 228 E HA 0.128 4.478 4.350 -0.000 0.000 0.191 228 E C 0.948 177.682 176.600 0.224 0.000 1.041 228 E CA 0.393 56.912 56.400 0.199 0.000 0.883 228 E CB 0.407 30.229 29.700 0.204 0.000 1.024 228 E HN 0.262 nan 8.360 nan 0.000 0.470 229 G N 1.684 110.563 108.800 0.133 0.000 2.539 229 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.256 229 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.256 229 G C -0.207 174.712 174.900 0.030 0.000 1.233 229 G CA -0.135 44.992 45.100 0.045 0.000 0.936 229 G HN 0.624 nan 8.290 nan 0.000 0.571 230 A N -0.689 122.112 122.820 -0.031 0.000 2.549 230 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 230 A C -1.214 176.438 177.584 0.114 0.000 1.061 230 A CA 0.292 52.358 52.037 0.048 0.000 0.690 230 A CB 1.946 20.979 19.000 0.056 0.000 1.287 230 A HN 0.875 nan 8.150 nan 0.000 0.402 231 D N -0.291 120.224 120.400 0.192 0.000 2.423 231 D HA 0.825 5.464 4.640 -0.000 0.000 0.235 231 D C -0.274 176.136 176.300 0.184 0.000 1.011 231 D CA 0.318 54.433 54.000 0.192 0.000 0.963 231 D CB 2.061 42.959 40.800 0.164 0.000 1.349 231 D HN 0.942 nan 8.370 nan 0.000 0.508 232 A N 0.556 123.461 122.820 0.141 0.000 2.572 232 A HA 0.730 5.049 4.320 -0.000 0.000 0.295 232 A C -2.008 175.615 177.584 0.064 0.000 1.072 232 A CA -0.552 51.555 52.037 0.118 0.000 0.691 232 A CB 1.335 20.406 19.000 0.118 0.000 1.291 232 A HN 0.390 nan 8.150 nan 0.000 0.404 233 L N 1.296 122.551 121.223 0.054 0.000 2.439 233 L HA 0.786 5.126 4.340 -0.000 0.000 0.270 233 L C 0.241 177.094 176.870 -0.028 0.000 0.972 233 L CA 0.324 55.135 54.840 -0.048 0.000 0.836 233 L CB 1.685 43.674 42.059 -0.117 0.000 1.255 233 L HN 1.095 nan 8.230 nan 0.000 0.404 234 G N 3.670 112.417 108.800 -0.088 0.000 2.932 234 G HA2 0.591 4.550 3.960 -0.000 0.000 0.283 234 G HA3 0.591 4.550 3.960 -0.000 0.000 0.283 234 G C -2.300 172.536 174.900 -0.107 0.000 1.336 234 G CA -0.912 44.188 45.100 0.001 0.000 1.056 234 G HN 0.469 nan 8.290 nan 0.000 0.522 235 P HA -0.041 nan 4.420 nan 0.000 0.222 235 P C 0.825 178.111 177.300 -0.023 0.000 1.147 235 P CA 1.232 64.369 63.100 0.061 0.000 0.790 235 P CB 0.121 31.878 31.700 0.096 0.000 0.780 236 D N -0.804 119.573 120.400 -0.039 0.000 2.363 236 D HA -0.000 4.640 4.640 -0.000 0.000 0.220 236 D C 1.553 177.806 176.300 -0.078 0.000 0.994 236 D CA 0.896 54.870 54.000 -0.043 0.000 0.890 236 D CB -1.076 39.709 40.800 -0.025 0.000 0.906 236 D HN 0.254 nan 8.370 nan 0.000 0.530 237 G N -0.576 108.138 108.800 -0.145 0.000 2.184 237 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.264 237 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.264 237 G C 0.211 175.031 174.900 -0.133 0.000 0.975 237 G CA 0.355 45.349 45.100 -0.176 0.000 0.642 237 G HN 0.454 nan 8.290 nan 0.000 0.536 238 K N -0.160 120.184 120.400 -0.095 0.000 2.310 238 K HA 0.562 4.882 4.320 -0.000 0.000 0.290 238 K C 0.305 176.874 176.600 -0.052 0.000 1.077 238 K CA -0.422 55.830 56.287 -0.059 0.000 0.922 238 K CB 1.431 33.913 32.500 -0.031 0.000 1.057 238 K HN 0.679 nan 8.250 nan 0.000 0.479 239 L N 4.291 125.486 121.223 -0.046 0.000 2.361 239 L HA 0.328 4.667 4.340 -0.000 0.000 0.278 239 L C -0.492 176.390 176.870 0.020 0.000 1.113 239 L CA 0.270 55.095 54.840 -0.025 0.000 0.849 239 L CB 0.061 42.098 42.059 -0.036 0.000 1.155 239 L HN 0.575 nan 8.230 nan 0.000 0.452 240 L N 5.207 126.461 121.223 0.051 0.000 2.331 240 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 240 L C -0.911 176.055 176.870 0.160 0.000 1.022 240 L CA -0.872 54.022 54.840 0.091 0.000 0.812 240 L CB 1.668 43.773 42.059 0.077 0.000 1.257 240 L HN 0.677 nan 8.230 nan 0.000 0.435 241 H N 0.779 119.883 119.070 0.058 0.000 2.865 241 H HA 0.460 5.016 4.556 -0.000 0.000 0.362 241 H C -1.380 174.007 175.328 0.099 0.000 1.114 241 H CA -0.320 55.770 56.048 0.071 0.000 1.208 241 H CB 2.156 31.937 29.762 0.031 0.000 1.727 241 H HN 0.482 nan 8.280 nan 0.000 0.534 242 S N 3.193 118.601 115.700 -0.487 0.000 2.482 242 S HA 0.319 4.789 4.470 -0.000 0.000 0.303 242 S C -0.837 173.290 174.600 -0.788 0.000 1.091 242 S CA -0.897 57.068 58.200 -0.391 0.000 1.057 242 S CB 0.718 63.930 63.200 0.020 0.000 1.031 242 S HN 0.717 nan 8.310 nan 0.000 0.485 243 D N 2.483 122.674 120.400 -0.349 0.000 2.361 243 D HA 0.474 5.114 4.640 -0.000 0.000 0.239 243 D C 0.521 176.729 176.300 -0.154 0.000 1.200 243 D CA 0.172 54.092 54.000 -0.134 0.000 0.915 243 D CB 0.842 41.578 40.800 -0.107 0.000 1.170 243 D HN 0.687 nan 8.370 nan 0.000 0.444 244 A N 0.484 123.251 122.820 -0.088 0.000 2.296 244 A HA 0.472 4.792 4.320 -0.000 0.000 0.264 244 A C -0.512 176.953 177.584 -0.199 0.000 1.097 244 A CA -0.253 51.785 52.037 0.002 0.000 0.811 244 A CB 0.179 19.207 19.000 0.047 0.000 1.072 244 A HN 0.490 nan 8.150 nan 0.000 0.495 245 F N 1.062 121.029 119.950 0.028 0.000 2.531 245 F HA 0.287 4.814 4.527 -0.000 0.000 0.333 245 F C -2.030 173.781 175.800 0.019 0.000 1.292 245 F CA -1.604 56.411 58.000 0.025 0.000 1.184 245 F CB 1.235 40.248 39.000 0.021 0.000 1.426 245 F HN 0.312 nan 8.300 nan 0.000 0.559 246 P HA 0.160 nan 4.420 nan 0.000 0.271 246 P C -2.457 174.892 177.300 0.081 0.000 1.218 246 P CA -0.912 62.236 63.100 0.080 0.000 0.780 246 P CB 0.624 32.350 31.700 0.042 0.000 0.901 247 P HA 0.298 nan 4.420 nan 0.000 0.279 247 P C -1.948 175.375 177.300 0.038 0.000 1.276 247 P CA -1.554 61.577 63.100 0.052 0.000 0.801 247 P CB -0.431 31.292 31.700 0.038 0.000 1.127 248 P HA -0.087 nan 4.420 nan 0.000 0.215 248 P C 0.272 177.583 177.300 0.020 0.000 1.153 248 P CA 1.335 64.450 63.100 0.025 0.000 0.853 248 P CB 0.022 31.735 31.700 0.023 0.000 0.788 249 R N -1.558 118.952 120.500 0.017 0.000 2.575 249 R HA 0.584 4.924 4.340 -0.000 0.000 0.293 249 R C -0.923 175.384 176.300 0.012 0.000 0.983 249 R CA -0.947 55.161 56.100 0.014 0.000 0.887 249 R CB -0.175 30.131 30.300 0.010 0.000 1.184 249 R HN -0.203 nan 8.270 nan 0.000 0.445 250 V N 3.524 123.444 119.914 0.011 0.000 2.455 250 V HA 0.205 4.325 4.120 -0.000 0.000 0.273 250 V C 1.521 177.616 176.094 0.002 0.000 1.045 250 V CA 0.500 62.804 62.300 0.008 0.000 0.976 250 V CB 1.079 32.907 31.823 0.008 0.000 0.993 250 V HN 0.911 nan 8.190 nan 0.000 0.475 251 V N 0.328 120.239 119.914 -0.003 0.000 3.612 251 V HA 0.482 4.602 4.120 -0.000 0.000 0.268 251 V C 0.174 176.258 176.094 -0.016 0.000 1.365 251 V CA 0.439 62.735 62.300 -0.007 0.000 1.044 251 V CB 0.799 32.616 31.823 -0.009 0.000 0.820 251 V HN 0.779 nan 8.190 nan 0.000 0.444 252 D N 0.745 121.130 120.400 -0.025 0.000 2.419 252 D HA 0.272 4.911 4.640 -0.000 0.000 0.219 252 D C 0.494 176.770 176.300 -0.039 0.000 1.349 252 D CA 0.688 54.663 54.000 -0.041 0.000 0.964 252 D CB 1.441 42.196 40.800 -0.075 0.000 1.463 252 D HN 0.265 nan 8.370 nan 0.000 0.573 253 T N 0.963 115.503 114.554 -0.023 0.000 3.069 253 T HA 0.169 4.519 4.350 -0.000 0.000 0.252 253 T C 0.961 175.662 174.700 0.002 0.000 1.053 253 T CA -0.341 61.754 62.100 -0.009 0.000 0.964 253 T CB -0.103 68.759 68.868 -0.010 0.000 1.005 253 T HN 0.232 nan 8.240 nan 0.000 0.532 254 L N 2.826 124.043 121.223 -0.011 0.000 2.562 254 L HA 0.486 4.825 4.340 -0.000 0.000 0.271 254 L C 1.245 178.159 176.870 0.074 0.000 1.167 254 L CA 1.531 56.380 54.840 0.015 0.000 0.917 254 L CB -0.552 41.502 42.059 -0.008 0.000 1.187 254 L HN 0.556 nan 8.230 nan 0.000 0.482 255 G N 3.015 111.896 108.800 0.135 0.000 2.143 255 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.249 255 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.249 255 G C 0.901 175.924 174.900 0.206 0.000 0.981 255 G CA 0.455 45.699 45.100 0.240 0.000 0.665 255 G HN 1.279 nan 8.290 nan 0.000 0.528 256 A N -0.078 122.812 122.820 0.117 0.000 1.969 256 A HA 0.376 4.696 4.320 -0.000 0.000 0.218 256 A C 2.658 180.287 177.584 0.075 0.000 1.169 256 A CA 2.164 54.254 52.037 0.088 0.000 0.635 256 A CB -0.689 18.337 19.000 0.044 0.000 0.810 256 A HN 1.531 nan 8.150 nan 0.000 0.445 257 G N -0.180 108.647 108.800 0.045 0.000 2.394 257 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 257 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 257 G C 1.080 176.002 174.900 0.037 0.000 1.165 257 G CA 1.027 46.152 45.100 0.042 0.000 0.784 257 G HN 0.440 nan 8.290 nan 0.000 0.535 258 D N 0.684 121.080 120.400 -0.008 0.000 2.123 258 D HA -0.104 4.535 4.640 -0.000 0.000 0.196 258 D C 2.631 178.851 176.300 -0.134 0.000 0.992 258 D CA 1.563 55.510 54.000 -0.089 0.000 0.833 258 D CB -0.577 40.165 40.800 -0.096 0.000 0.954 258 D HN 0.224 nan 8.370 nan 0.000 0.455 259 T N 0.657 115.173 114.554 -0.064 0.000 2.746 259 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 259 T C 1.704 176.352 174.700 -0.086 0.000 1.039 259 T CA 0.729 62.777 62.100 -0.086 0.000 1.142 259 T CB -0.471 68.401 68.868 0.007 0.000 0.866 259 T HN 0.145 nan 8.240 nan 0.000 0.444 260 F N 3.156 123.023 119.950 -0.138 0.000 2.075 260 F HA -0.168 4.358 4.527 -0.000 0.000 0.297 260 F C 2.067 177.773 175.800 -0.156 0.000 1.113 260 F CA 1.317 59.249 58.000 -0.113 0.000 1.218 260 F CB -0.516 38.453 39.000 -0.051 0.000 0.984 260 F HN 0.026 nan 8.300 nan 0.000 0.472 261 N N 1.033 119.558 118.700 -0.292 0.000 2.069 261 N HA -0.199 4.540 4.740 -0.000 0.000 0.191 261 N C 2.011 177.182 175.510 -0.566 0.000 1.031 261 N CA 1.768 54.358 53.050 -0.767 0.000 0.852 261 N CB -1.077 36.844 38.487 -0.943 0.000 1.018 261 N HN 0.467 nan 8.380 nan 0.000 0.423 262 A N 0.404 122.981 122.820 -0.405 0.000 1.930 262 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 262 A C 2.485 179.951 177.584 -0.196 0.000 1.175 262 A CA 1.612 53.463 52.037 -0.309 0.000 0.627 262 A CB -0.587 18.251 19.000 -0.270 0.000 0.815 262 A HN 0.270 nan 8.150 nan 0.000 0.443 263 S N -0.471 115.109 115.700 -0.201 0.000 2.368 263 S HA -0.098 4.371 4.470 -0.000 0.000 0.224 263 S C 1.897 176.537 174.600 0.066 0.000 1.029 263 S CA 1.312 59.483 58.200 -0.048 0.000 0.988 263 S CB -0.377 62.631 63.200 -0.320 0.000 0.838 263 S HN 0.344 nan 8.310 nan 0.000 0.462 264 V N 2.208 122.011 119.914 -0.185 0.000 2.295 264 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 264 V C 2.079 178.117 176.094 -0.093 0.000 1.049 264 V CA 1.574 63.804 62.300 -0.115 0.000 1.024 264 V CB -0.686 31.062 31.823 -0.125 0.000 0.648 264 V HN 0.423 nan 8.190 nan 0.000 0.447 265 I N -0.752 119.710 120.570 -0.181 0.000 2.127 265 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 265 I C 2.338 178.125 176.117 -0.550 0.000 1.075 265 I CA 2.134 63.095 61.300 -0.565 0.000 1.334 265 I CB -0.511 37.092 38.000 -0.661 0.000 1.040 265 I HN 0.312 nan 8.210 nan 0.000 0.405 266 F N 1.187 120.911 119.950 -0.376 0.000 2.063 266 F HA -0.364 4.162 4.527 -0.000 0.000 0.298 266 F C 2.896 178.564 175.800 -0.220 0.000 1.109 266 F CA 2.177 60.032 58.000 -0.243 0.000 1.212 266 F CB -0.629 38.320 39.000 -0.085 0.000 0.973 266 F HN 0.029 nan 8.300 nan 0.000 0.480 267 S N 0.111 115.722 115.700 -0.149 0.000 2.356 267 S HA -0.167 4.303 4.470 -0.000 0.000 0.223 267 S C 2.184 176.624 174.600 -0.267 0.000 1.032 267 S CA 1.587 59.622 58.200 -0.275 0.000 1.005 267 S CB -0.599 62.556 63.200 -0.074 0.000 0.867 267 S HN 0.443 nan 8.310 nan 0.000 0.449 268 L N 1.622 122.727 121.223 -0.195 0.000 2.046 268 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 268 L C 2.901 179.734 176.870 -0.063 0.000 1.077 268 L CA 1.559 56.347 54.840 -0.086 0.000 0.747 268 L CB -0.771 41.308 42.059 0.033 0.000 0.896 268 L HN 0.529 nan 8.230 nan 0.000 0.432 269 S N -1.062 114.483 115.700 -0.259 0.000 2.442 269 S HA -0.183 4.287 4.470 -0.000 0.000 0.236 269 S C 1.713 176.216 174.600 -0.161 0.000 1.007 269 S CA 0.745 58.882 58.200 -0.105 0.000 0.965 269 S CB -0.207 62.839 63.200 -0.257 0.000 0.773 269 S HN 0.436 nan 8.310 nan 0.000 0.504 270 Q N 0.534 120.134 119.800 -0.333 0.000 2.365 270 Q HA 0.245 4.585 4.340 -0.000 0.000 0.203 270 Q C 1.272 177.156 176.000 -0.193 0.000 0.929 270 Q CA 0.571 56.171 55.803 -0.339 0.000 0.948 270 Q CB 0.259 28.636 28.738 -0.601 0.000 1.043 270 Q HN 0.837 nan 8.270 nan 0.000 0.505 271 G N 1.710 110.441 108.800 -0.114 0.000 2.141 271 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 271 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 271 G C 0.111 174.974 174.900 -0.061 0.000 0.982 271 G CA -0.204 44.860 45.100 -0.060 0.000 0.662 271 G HN 0.106 nan 8.290 nan 0.000 0.527 272 R N 0.864 121.311 120.500 -0.088 0.000 2.577 272 R HA 0.598 4.937 4.340 -0.000 0.000 0.269 272 R C 1.178 177.464 176.300 -0.023 0.000 1.084 272 R CA 0.173 56.232 56.100 -0.069 0.000 1.163 272 R CB 0.418 30.653 30.300 -0.110 0.000 1.100 272 R HN 0.745 nan 8.270 nan 0.000 0.547 273 S N -0.713 114.982 115.700 -0.008 0.000 2.584 273 S HA 0.020 4.490 4.470 -0.000 0.000 0.270 273 S C 1.507 176.125 174.600 0.029 0.000 1.346 273 S CA -0.753 57.456 58.200 0.015 0.000 1.018 273 S CB 0.674 63.886 63.200 0.018 0.000 0.899 273 S HN 0.300 nan 8.310 nan 0.000 0.542 274 V N 1.676 121.615 119.914 0.042 0.000 2.343 274 V HA -0.177 3.942 4.120 -0.000 0.000 0.247 274 V C 2.936 179.071 176.094 0.068 0.000 1.051 274 V CA 2.333 64.667 62.300 0.056 0.000 1.036 274 V CB -1.298 30.560 31.823 0.058 0.000 0.654 274 V HN 0.980 nan 8.190 nan 0.000 0.451 275 Q N 0.770 120.608 119.800 0.063 0.000 2.077 275 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 275 Q C 2.112 178.163 176.000 0.085 0.000 0.989 275 Q CA 2.469 58.317 55.803 0.075 0.000 0.853 275 Q CB -0.394 28.382 28.738 0.064 0.000 0.907 275 Q HN 0.680 nan 8.270 nan 0.000 0.418 276 E N -0.507 119.731 120.200 0.064 0.000 2.106 276 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 276 E C 1.677 178.333 176.600 0.093 0.000 0.984 276 E CA 1.372 57.812 56.400 0.067 0.000 0.806 276 E CB -0.577 29.135 29.700 0.020 0.000 0.750 276 E HN 0.405 nan 8.360 nan 0.000 0.458 277 A N 0.623 123.486 122.820 0.072 0.000 1.902 277 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 277 A C 2.301 179.947 177.584 0.103 0.000 1.181 277 A CA 1.456 53.541 52.037 0.081 0.000 0.623 277 A CB -0.735 18.289 19.000 0.041 0.000 0.818 277 A HN 0.353 nan 8.150 nan 0.000 0.443 278 L N -1.172 120.128 121.223 0.129 0.000 2.046 278 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 278 L C 2.799 179.807 176.870 0.230 0.000 1.077 278 L CA 1.748 56.710 54.840 0.204 0.000 0.747 278 L CB -0.458 41.721 42.059 0.199 0.000 0.896 278 L HN 0.466 nan 8.230 nan 0.000 0.432 279 R N -0.179 120.441 120.500 0.201 0.000 2.073 279 R HA -0.229 4.111 4.340 -0.000 0.000 0.234 279 R C 2.429 178.814 176.300 0.142 0.000 1.134 279 R CA 1.853 58.093 56.100 0.233 0.000 0.952 279 R CB -0.407 30.021 30.300 0.213 0.000 0.850 279 R HN 0.199 nan 8.270 nan 0.000 0.433 280 F N 0.872 120.809 119.950 -0.021 0.000 2.134 280 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 280 F C 2.016 177.772 175.800 -0.073 0.000 1.097 280 F CA 1.833 59.787 58.000 -0.078 0.000 1.264 280 F CB -0.779 38.197 39.000 -0.041 0.000 1.001 280 F HN 0.130 nan 8.300 nan 0.000 0.479 281 G N -0.445 108.303 108.800 -0.087 0.000 2.459 281 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 281 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 281 G C 1.822 176.804 174.900 0.138 0.000 1.183 281 G CA 1.152 46.129 45.100 -0.205 0.000 0.776 281 G HN 0.507 nan 8.290 nan 0.000 0.552 282 C N 0.164 119.653 119.300 0.316 0.000 2.401 282 C HA -0.107 4.353 4.460 -0.000 0.000 0.276 282 C C 2.991 178.041 174.990 0.100 0.000 1.233 282 C CA 1.240 60.451 59.018 0.321 0.000 1.753 282 C CB -1.057 26.954 27.740 0.453 0.000 2.029 282 C HN 0.547 nan 8.230 nan 0.000 0.478 283 Q N -0.164 119.442 119.800 -0.324 0.000 2.050 283 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 283 Q C 2.356 178.138 176.000 -0.364 0.000 0.980 283 Q CA 1.717 57.117 55.803 -0.672 0.000 0.840 283 Q CB -0.217 28.024 28.738 -0.828 0.000 0.898 283 Q HN 0.612 nan 8.270 nan 0.000 0.424 284 V N 0.709 120.363 119.914 -0.434 0.000 2.323 284 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 284 V C 2.241 178.241 176.094 -0.158 0.000 1.041 284 V CA 1.714 63.793 62.300 -0.368 0.000 1.025 284 V CB -1.002 30.463 31.823 -0.595 0.000 0.656 284 V HN 0.379 nan 8.190 nan 0.000 0.451 285 A N 0.743 123.519 122.820 -0.074 0.000 1.902 285 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 285 A C 2.413 180.019 177.584 0.038 0.000 1.181 285 A CA 2.015 54.070 52.037 0.031 0.000 0.623 285 A CB -1.263 17.817 19.000 0.134 0.000 0.818 285 A HN 0.524 nan 8.150 nan 0.000 0.443 286 G N -0.449 108.384 108.800 0.054 0.000 2.421 286 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 286 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 286 G C 1.655 176.582 174.900 0.046 0.000 1.171 286 G CA 1.221 46.371 45.100 0.083 0.000 0.775 286 G HN 0.574 nan 8.290 nan 0.000 0.543 287 K N 0.387 120.791 120.400 0.006 0.000 2.032 287 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 287 K C 2.508 179.108 176.600 -0.000 0.000 1.048 287 K CA 1.507 57.790 56.287 -0.006 0.000 0.927 287 K CB -0.161 32.313 32.500 -0.044 0.000 0.712 287 K HN 0.139 nan 8.250 nan 0.000 0.441 288 K N 0.971 121.371 120.400 0.001 0.000 2.074 288 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 288 K C 1.929 178.529 176.600 0.001 0.000 1.048 288 K CA 1.896 58.194 56.287 0.017 0.000 0.926 288 K CB -0.582 31.957 32.500 0.066 0.000 0.713 288 K HN 0.335 nan 8.250 nan 0.000 0.444 289 C N 0.008 119.315 119.300 0.011 0.000 2.419 289 C HA -0.043 4.417 4.460 -0.000 0.000 0.283 289 C C 2.363 177.352 174.990 -0.002 0.000 1.373 289 C CA 0.916 59.936 59.018 0.004 0.000 1.781 289 C CB -1.272 26.479 27.740 0.017 0.000 1.886 289 C HN 0.635 nan 8.230 nan 0.000 0.520 290 G N -0.685 108.117 108.800 0.004 0.000 3.181 290 G HA2 0.404 4.363 3.960 -0.000 0.000 0.219 290 G HA3 0.404 4.363 3.960 -0.000 0.000 0.219 290 G C 0.166 175.062 174.900 -0.007 0.000 1.182 290 G CA 0.220 45.321 45.100 0.003 0.000 0.791 290 G HN 0.473 nan 8.290 nan 0.000 0.537 291 L N -0.643 120.567 121.223 -0.022 0.000 2.424 291 L HA 0.396 4.736 4.340 -0.000 0.000 0.258 291 L C -0.864 175.967 176.870 -0.066 0.000 0.995 291 L CA -1.253 53.567 54.840 -0.033 0.000 0.821 291 L CB 2.144 44.187 42.059 -0.026 0.000 1.383 291 L HN -0.199 nan 8.230 nan 0.000 0.410 292 Q N 1.655 121.415 119.800 -0.066 0.000 2.296 292 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 292 Q C 0.651 176.553 176.000 -0.165 0.000 0.981 292 Q CA 0.854 56.597 55.803 -0.100 0.000 0.905 292 Q CB 1.268 29.970 28.738 -0.060 0.000 1.186 292 Q HN 0.835 nan 8.270 nan 0.000 0.399 293 G N 1.897 110.505 108.800 -0.320 0.000 2.562 293 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.250 293 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.250 293 G C -0.111 174.396 174.900 -0.656 0.000 1.269 293 G CA 0.128 44.875 45.100 -0.588 0.000 0.919 293 G HN 0.528 nan 8.290 nan 0.000 0.574 294 F N -0.042 119.917 119.950 0.015 0.000 2.752 294 F HA 0.297 4.824 4.527 -0.000 0.000 0.310 294 F C 2.161 177.969 175.800 0.014 0.000 1.097 294 F CA 0.554 58.545 58.000 -0.015 0.000 1.238 294 F CB 0.179 39.133 39.000 -0.077 0.000 1.061 294 F HN 0.317 nan 8.300 nan 0.000 0.591 295 D N 0.617 121.135 120.400 0.197 0.000 2.117 295 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 295 D C 2.430 178.789 176.300 0.097 0.000 0.987 295 D CA 1.575 55.679 54.000 0.173 0.000 0.829 295 D CB -0.496 40.394 40.800 0.150 0.000 0.961 295 D HN 0.346 nan 8.370 nan 0.000 0.460 296 G N 1.425 110.261 108.800 0.060 0.000 2.708 296 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.210 296 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.210 296 G C 1.748 176.663 174.900 0.025 0.000 1.141 296 G CA 0.348 45.468 45.100 0.034 0.000 0.788 296 G HN 0.432 nan 8.290 nan 0.000 0.531 297 I N -0.581 120.009 120.570 0.033 0.000 2.361 297 I HA 0.036 4.206 4.170 -0.000 0.000 0.251 297 I C 1.046 177.159 176.117 -0.007 0.000 1.133 297 I CA 0.726 62.028 61.300 0.003 0.000 1.413 297 I CB -0.455 37.540 38.000 -0.009 0.000 1.073 297 I HN 0.026 nan 8.210 nan 0.000 0.424 298 V N 0.000 119.919 119.914 0.008 0.000 2.409 298 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 298 V CA 0.000 62.304 62.300 0.007 0.000 1.235 298 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 298 V HN 0.000 nan 8.190 nan 0.000 0.556