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 2vj8_1_A DATA FIRST_RESID 1 DATA SEQUENCE PEIVDTCSLA SPASVCRTKH LHLRCSVDFT RRTLTGTAAL TVQSQEDNLR DATA SEQUENCE SLVLDTKDLT IEKVVINGQE VKYALGERQS YKGSPMEISL PIALSKNQEI DATA SEQUENCE VIEISFETSP KSSALQWLTP EQTSGKEHPY LFSQCQAIHC RAILPCQDTP DATA SEQUENCE SVKLTYTAEV SVPKELVALM SAIRDGETPD PEDPSRKIYK FIQKVPIPCY DATA SEQUENCE LIALVVGALE SRQIGPRTLV WSEKEQVEKS AYEFSETESM LKIAEDLGGP DATA SEQUENCE YVWGQYDLLV LPPSFPYGGM ENPCLTFVTP TLLAGDKSLS NVIAHEISHS DATA SEQUENCE WTGNLVTNKT WDHFWLNEGH TVYLERHICG RLFGEKFRHF NALGGWGELQ DATA SEQUENCE NSVKTFGETH PFTKLVVDLT DIDPDVAYSS VPYEKGFALL FYLEQLLGGP DATA SEQUENCE EIFLGFLKAY VEKFSYKSIT TDDWKDFLYS YFKDKVDVLN QVDWNAWLYS DATA SEQUENCE PGLPPIKPNY DMTLTNACIA LSQRWITAKE DDLNSFNATD LKDLSSHQLN DATA SEQUENCE EFLAQTLQRA PLPLGHIKRM QEVYNFNAIN NSEIRFRWLR LCIQSKWEDA DATA SEQUENCE IPLALKMATE QGRMKFTRPL FKDLAAFDKS HDQAVRTYQE HKASMHPVTA DATA SEQUENCE MLVGKDLKVD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.313 177.300 0.021 0.000 1.155 1 P CA 0.000 63.112 63.100 0.020 0.000 0.800 1 P CB 0.000 31.712 31.700 0.020 0.000 0.726 2 E N 0.708 120.921 120.200 0.022 0.000 2.133 2 E HA 0.394 4.742 4.350 -0.002 0.000 0.274 2 E C -0.128 176.489 176.600 0.029 0.000 0.930 2 E CA -0.570 55.842 56.400 0.020 0.000 0.770 2 E CB 1.009 30.719 29.700 0.016 0.000 1.104 2 E HN 0.235 nan 8.360 nan 0.000 0.403 3 I N 3.436 124.024 120.570 0.030 0.000 2.598 3 I HA 0.004 4.173 4.170 -0.002 0.000 0.284 3 I C 0.438 176.579 176.117 0.041 0.000 1.140 3 I CA 0.098 61.427 61.300 0.049 0.000 1.420 3 I CB 0.334 38.359 38.000 0.042 0.000 1.387 3 I HN 0.111 nan 8.210 nan 0.000 0.553 4 V N 6.116 126.062 119.914 0.053 0.000 2.483 4 V HA 0.183 4.302 4.120 -0.002 0.000 0.295 4 V C 0.173 176.296 176.094 0.048 0.000 1.035 4 V CA -0.742 61.583 62.300 0.042 0.000 0.896 4 V CB 1.991 33.839 31.823 0.041 0.000 0.986 4 V HN 0.619 nan 8.190 nan 0.000 0.447 5 D N 3.266 123.685 120.400 0.033 0.000 2.393 5 D HA 0.087 4.726 4.640 -0.002 0.000 0.232 5 D C 1.291 177.626 176.300 0.058 0.000 1.192 5 D CA -0.067 53.955 54.000 0.036 0.000 0.882 5 D CB 1.451 42.255 40.800 0.006 0.000 1.038 5 D HN 0.727 nan 8.370 nan 0.000 0.499 6 T N -0.162 114.440 114.554 0.079 0.000 3.160 6 T HA -0.035 4.313 4.350 -0.002 0.000 0.257 6 T C 1.487 176.253 174.700 0.110 0.000 1.147 6 T CA 0.024 62.175 62.100 0.085 0.000 1.064 6 T CB -0.459 68.463 68.868 0.090 0.000 0.949 6 T HN 0.398 nan 8.240 nan 0.000 0.526 7 C N 0.934 120.316 119.300 0.136 0.000 2.906 7 C HA 0.539 4.998 4.460 -0.002 0.000 0.274 7 C C 1.193 176.245 174.990 0.104 0.000 1.257 7 C CA -0.710 58.408 59.018 0.166 0.000 1.695 7 C CB -0.971 26.922 27.740 0.254 0.000 1.958 7 C HN 0.610 nan 8.230 nan 0.000 0.619 8 S N -0.149 115.593 115.700 0.071 0.000 2.532 8 S HA 0.676 5.145 4.470 -0.002 0.000 0.301 8 S C 0.144 174.750 174.600 0.011 0.000 1.083 8 S CA -0.489 57.734 58.200 0.038 0.000 1.025 8 S CB 0.771 63.995 63.200 0.040 0.000 1.056 8 S HN 0.399 nan 8.310 nan 0.000 0.494 9 L N 2.659 123.879 121.223 -0.005 0.000 2.693 9 L HA 0.433 4.772 4.340 -0.002 0.000 0.235 9 L C 1.087 177.953 176.870 -0.006 0.000 1.127 9 L CA -0.248 54.585 54.840 -0.012 0.000 0.914 9 L CB -0.238 41.805 42.059 -0.027 0.000 1.193 9 L HN 0.653 nan 8.230 nan 0.000 0.502 10 A N -0.038 122.780 122.820 -0.003 0.000 2.313 10 A HA 0.447 4.766 4.320 -0.002 0.000 0.261 10 A C 0.566 178.150 177.584 0.000 0.000 1.090 10 A CA -0.181 51.854 52.037 -0.004 0.000 0.807 10 A CB 0.339 19.335 19.000 -0.007 0.000 1.055 10 A HN 0.146 nan 8.150 nan 0.000 0.492 11 S N 2.403 118.103 115.700 0.001 0.000 2.552 11 S HA 0.273 4.741 4.470 -0.002 0.000 0.289 11 S C -2.010 172.591 174.600 0.002 0.000 1.304 11 S CA -0.384 57.817 58.200 0.003 0.000 1.063 11 S CB -0.048 63.154 63.200 0.004 0.000 0.848 11 S HN 0.629 nan 8.310 nan 0.000 0.499 12 P HA 0.207 nan 4.420 nan 0.000 0.274 12 P C 0.292 177.592 177.300 -0.000 0.000 1.246 12 P CA -0.402 62.699 63.100 0.002 0.000 0.795 12 P CB 0.651 32.354 31.700 0.004 0.000 1.006 13 A N 1.853 124.670 122.820 -0.004 0.000 2.076 13 A HA -0.177 4.142 4.320 -0.002 0.000 0.220 13 A C 2.049 179.632 177.584 -0.002 0.000 1.160 13 A CA 2.191 54.225 52.037 -0.005 0.000 0.653 13 A CB -1.638 17.356 19.000 -0.011 0.000 0.801 13 A HN 0.666 nan 8.150 nan 0.000 0.455 14 S N -1.437 114.262 115.700 -0.000 0.000 2.561 14 S HA 0.085 4.554 4.470 -0.002 0.000 0.225 14 S C 1.385 175.986 174.600 0.003 0.000 0.977 14 S CA 0.946 59.147 58.200 0.002 0.000 0.926 14 S CB 0.011 63.212 63.200 0.003 0.000 0.769 14 S HN 0.221 nan 8.310 nan 0.000 0.533 15 V N 0.845 120.761 119.914 0.003 0.000 2.627 15 V HA 0.263 4.382 4.120 -0.002 0.000 0.239 15 V C 1.101 177.198 176.094 0.004 0.000 1.077 15 V CA 0.795 63.097 62.300 0.004 0.000 1.103 15 V CB 0.286 32.112 31.823 0.005 0.000 0.802 15 V HN 0.903 nan 8.190 nan 0.000 0.482 16 C N -0.380 118.922 119.300 0.004 0.000 3.311 16 C HA 0.816 5.275 4.460 -0.002 0.000 0.325 16 C C -0.999 173.993 174.990 0.003 0.000 1.352 16 C CA -1.257 57.764 59.018 0.004 0.000 1.308 16 C CB 1.617 29.361 27.740 0.006 0.000 1.619 16 C HN 0.440 nan 8.230 nan 0.000 0.469 17 R N 0.657 121.160 120.500 0.005 0.000 2.564 17 R HA 0.637 4.976 4.340 -0.002 0.000 0.284 17 R C -1.002 175.304 176.300 0.010 0.000 1.031 17 R CA -0.344 55.759 56.100 0.005 0.000 0.904 17 R CB 2.274 32.576 30.300 0.004 0.000 1.199 17 R HN 0.836 nan 8.270 nan 0.000 0.443 18 T N 3.456 118.016 114.554 0.010 0.000 2.814 18 T HA 0.129 4.478 4.350 -0.002 0.000 0.297 18 T C 0.879 175.598 174.700 0.030 0.000 0.956 18 T CA -0.370 61.740 62.100 0.017 0.000 1.123 18 T CB 0.783 69.652 68.868 0.002 0.000 0.902 18 T HN 0.308 nan 8.240 nan 0.000 0.528 19 K N 1.605 122.037 120.400 0.054 0.000 2.365 19 K HA 0.162 4.481 4.320 -0.002 0.000 0.195 19 K C 0.463 177.152 176.600 0.148 0.000 1.079 19 K CA 0.489 56.820 56.287 0.074 0.000 0.979 19 K CB 0.250 32.784 32.500 0.058 0.000 0.929 19 K HN 0.711 nan 8.250 nan 0.000 0.523 20 H N -0.928 118.163 119.070 0.035 0.000 3.046 20 H HA 0.521 5.076 4.556 -0.002 0.000 0.361 20 H C -1.997 173.380 175.328 0.082 0.000 1.235 20 H CA -1.069 55.017 56.048 0.064 0.000 1.146 20 H CB 1.510 31.304 29.762 0.054 0.000 1.859 20 H HN -0.083 nan 8.280 nan 0.000 0.548 21 L N 3.813 124.739 121.223 -0.495 0.000 2.381 21 L HA 0.395 4.734 4.340 -0.002 0.000 0.274 21 L C -1.668 175.085 176.870 -0.195 0.000 0.988 21 L CA -0.332 54.373 54.840 -0.224 0.000 0.824 21 L CB 1.410 43.368 42.059 -0.169 0.000 1.263 21 L HN 0.833 nan 8.230 nan 0.000 0.410 22 H N 6.203 125.257 119.070 -0.026 0.000 2.587 22 H HA 0.409 4.964 4.556 -0.002 0.000 0.325 22 H C -1.793 173.586 175.328 0.085 0.000 1.012 22 H CA -0.777 55.325 56.048 0.091 0.000 1.213 22 H CB 1.566 31.432 29.762 0.174 0.000 1.431 22 H HN 0.656 nan 8.280 nan 0.000 0.492 23 L N 6.423 127.494 121.223 -0.254 0.000 2.313 23 L HA 0.492 4.831 4.340 -0.002 0.000 0.283 23 L C -0.761 175.958 176.870 -0.251 0.000 1.013 23 L CA -0.726 54.004 54.840 -0.183 0.000 0.816 23 L CB 1.023 43.047 42.059 -0.057 0.000 1.236 23 L HN 0.714 nan 8.230 nan 0.000 0.419 24 R N 4.548 124.946 120.500 -0.170 0.000 2.483 24 R HA 0.542 4.881 4.340 -0.002 0.000 0.303 24 R C -1.116 175.160 176.300 -0.041 0.000 0.987 24 R CA -0.458 55.582 56.100 -0.101 0.000 0.881 24 R CB 1.613 31.852 30.300 -0.103 0.000 1.177 24 R HN 0.809 nan 8.270 nan 0.000 0.451 25 C N -1.021 118.273 119.300 -0.010 0.000 3.318 25 C HA 0.787 5.246 4.460 -0.002 0.000 0.322 25 C C -0.579 174.409 174.990 -0.004 0.000 1.398 25 C CA -0.927 58.070 59.018 -0.035 0.000 1.339 25 C CB 1.958 29.701 27.740 0.005 0.000 1.668 25 C HN 0.650 nan 8.230 nan 0.000 0.462 26 S N -0.149 115.535 115.700 -0.026 0.000 2.536 26 S HA 0.760 5.229 4.470 -0.002 0.000 0.287 26 S C -1.130 173.474 174.600 0.006 0.000 1.101 26 S CA -0.323 57.881 58.200 0.006 0.000 0.950 26 S CB 1.516 64.714 63.200 -0.003 0.000 1.056 26 S HN 0.995 nan 8.310 nan 0.000 0.481 27 V N 4.355 124.284 119.914 0.024 0.000 2.364 27 V HA 0.405 4.524 4.120 -0.002 0.000 0.272 27 V C -0.331 175.761 176.094 -0.004 0.000 1.036 27 V CA -0.574 61.722 62.300 -0.006 0.000 0.880 27 V CB 1.352 33.120 31.823 -0.092 0.000 0.991 27 V HN 0.810 nan 8.190 nan 0.000 0.460 28 D N 3.851 124.238 120.400 -0.021 0.000 2.461 28 D HA 0.325 4.964 4.640 -0.002 0.000 0.240 28 D C 0.481 176.698 176.300 -0.138 0.000 1.094 28 D CA -0.438 53.544 54.000 -0.029 0.000 0.868 28 D CB 1.135 41.902 40.800 -0.056 0.000 1.062 28 D HN 0.332 nan 8.370 nan 0.000 0.530 29 F N 1.180 121.184 119.950 0.090 0.000 2.293 29 F HA -0.097 4.428 4.527 -0.002 0.000 0.300 29 F C 2.508 178.250 175.800 -0.096 0.000 1.086 29 F CA 0.824 58.863 58.000 0.065 0.000 1.375 29 F CB -0.064 39.049 39.000 0.189 0.000 1.045 29 F HN 0.313 nan 8.300 nan 0.000 0.516 30 T N -0.436 114.178 114.554 0.099 0.000 2.821 30 T HA -0.134 4.214 4.350 -0.002 0.000 0.267 30 T C 1.715 176.354 174.700 -0.101 0.000 1.046 30 T CA 1.268 63.375 62.100 0.011 0.000 1.139 30 T CB -0.099 68.783 68.868 0.023 0.000 0.871 30 T HN 0.107 nan 8.240 nan 0.000 0.454 31 R N 0.166 120.561 120.500 -0.176 0.000 2.397 31 R HA 0.320 4.659 4.340 -0.002 0.000 0.241 31 R C 0.116 176.146 176.300 -0.451 0.000 0.914 31 R CA -0.201 55.757 56.100 -0.237 0.000 1.071 31 R CB 0.297 30.498 30.300 -0.166 0.000 1.116 31 R HN 0.060 nan 8.270 nan 0.000 0.524 32 R N 0.809 120.840 120.500 -0.781 0.000 3.333 32 R HA -0.135 4.204 4.340 -0.002 0.000 0.256 32 R C -0.723 174.847 176.300 -1.216 0.000 1.010 32 R CA 1.389 56.417 56.100 -1.787 0.000 0.680 32 R CB -2.927 26.477 30.300 -1.493 0.000 1.102 32 R HN 0.478 nan 8.270 nan 0.000 0.440 33 T N -2.547 111.631 114.554 -0.626 0.000 2.906 33 T HA 0.778 5.127 4.350 -0.002 0.000 0.295 33 T C 0.130 174.897 174.700 0.111 0.000 1.061 33 T CA -1.079 60.953 62.100 -0.113 0.000 1.000 33 T CB 2.731 71.528 68.868 -0.119 0.000 1.103 33 T HN 0.167 nan 8.240 nan 0.000 0.486 34 L N 1.936 123.254 121.223 0.159 0.000 2.333 34 L HA 0.642 4.981 4.340 -0.002 0.000 0.280 34 L C -0.362 176.484 176.870 -0.040 0.000 1.004 34 L CA -0.681 54.222 54.840 0.104 0.000 0.820 34 L CB 2.156 44.312 42.059 0.162 0.000 1.247 34 L HN 0.863 nan 8.230 nan 0.000 0.416 35 T N 1.592 116.051 114.554 -0.158 0.000 2.893 35 T HA 0.859 5.208 4.350 -0.002 0.000 0.293 35 T C 0.028 174.473 174.700 -0.426 0.000 1.027 35 T CA -0.470 61.415 62.100 -0.358 0.000 0.988 35 T CB 2.367 71.104 68.868 -0.219 0.000 1.043 35 T HN 0.914 nan 8.240 nan 0.000 0.461 36 G N 1.265 109.629 108.800 -0.727 0.000 2.399 36 G HA2 0.534 4.493 3.960 -0.002 0.000 0.256 36 G HA3 0.534 4.493 3.960 -0.002 0.000 0.256 36 G C -1.180 173.445 174.900 -0.459 0.000 1.236 36 G CA -0.184 44.638 45.100 -0.463 0.000 0.914 36 G HN 0.980 nan 8.290 nan 0.000 0.482 37 T N -2.143 112.352 114.554 -0.098 0.000 2.876 37 T HA 0.809 5.158 4.350 -0.002 0.000 0.289 37 T C -0.393 174.453 174.700 0.244 0.000 1.014 37 T CA 0.141 62.299 62.100 0.096 0.000 0.986 37 T CB 1.954 70.846 68.868 0.040 0.000 1.021 37 T HN 1.997 nan 8.240 nan 0.000 0.458 38 A N 1.731 124.718 122.820 0.278 0.000 2.267 38 A HA 0.799 5.118 4.320 -0.002 0.000 0.315 38 A C 0.253 177.877 177.584 0.068 0.000 1.297 38 A CA -0.897 51.208 52.037 0.114 0.000 0.865 38 A CB 0.157 19.134 19.000 -0.037 0.000 1.165 38 A HN 1.397 nan 8.150 nan 0.000 0.513 39 A N 3.890 126.758 122.820 0.080 0.000 2.366 39 A HA 0.611 4.930 4.320 -0.002 0.000 0.322 39 A C -0.340 177.306 177.584 0.105 0.000 1.397 39 A CA -0.249 51.859 52.037 0.119 0.000 0.984 39 A CB -0.223 18.907 19.000 0.218 0.000 1.149 39 A HN 0.797 nan 8.150 nan 0.000 0.540 40 L N 2.708 123.969 121.223 0.063 0.000 2.264 40 L HA 0.347 4.686 4.340 -0.002 0.000 0.289 40 L C 0.078 176.990 176.870 0.069 0.000 1.044 40 L CA -0.305 54.563 54.840 0.047 0.000 0.807 40 L CB 1.623 43.687 42.059 0.008 0.000 1.192 40 L HN 0.550 nan 8.230 nan 0.000 0.425 41 T N 3.238 117.850 114.554 0.097 0.000 2.733 41 T HA 0.405 4.753 4.350 -0.002 0.000 0.294 41 T C 0.009 174.744 174.700 0.059 0.000 0.956 41 T CA -0.286 61.866 62.100 0.087 0.000 0.987 41 T CB 1.195 70.136 68.868 0.121 0.000 0.920 41 T HN 0.180 nan 8.240 nan 0.000 0.470 42 V N 4.304 124.241 119.914 0.038 0.000 2.513 42 V HA 0.467 4.586 4.120 -0.002 0.000 0.299 42 V C -0.028 176.078 176.094 0.020 0.000 1.035 42 V CA -0.912 61.403 62.300 0.026 0.000 0.889 42 V CB 1.868 33.702 31.823 0.018 0.000 0.988 42 V HN 0.776 nan 8.190 nan 0.000 0.440 43 Q N 2.546 122.355 119.800 0.015 0.000 2.333 43 Q HA 0.471 4.809 4.340 -0.002 0.000 0.265 43 Q C -0.227 175.777 176.000 0.007 0.000 0.989 43 Q CA -0.220 55.589 55.803 0.010 0.000 0.842 43 Q CB 1.740 30.482 28.738 0.007 0.000 1.262 43 Q HN 0.821 nan 8.270 nan 0.000 0.451 44 S N 2.623 118.327 115.700 0.006 0.000 2.585 44 S HA 0.099 4.568 4.470 -0.002 0.000 0.273 44 S C 0.300 174.902 174.600 0.003 0.000 1.339 44 S CA -0.027 58.176 58.200 0.005 0.000 1.028 44 S CB 0.759 63.962 63.200 0.006 0.000 0.906 44 S HN 0.761 nan 8.310 nan 0.000 0.528 45 Q N 1.241 121.043 119.800 0.003 0.000 2.164 45 Q HA 0.257 4.596 4.340 -0.002 0.000 0.226 45 Q C -0.303 175.699 176.000 0.002 0.000 0.813 45 Q CA 0.105 55.909 55.803 0.002 0.000 0.978 45 Q CB 0.552 29.291 28.738 0.002 0.000 1.149 45 Q HN 0.916 nan 8.270 nan 0.000 0.489 46 E N -0.498 119.704 120.200 0.003 0.000 2.433 46 E HA 0.462 4.810 4.350 -0.002 0.000 0.273 46 E C -1.102 175.500 176.600 0.003 0.000 0.950 46 E CA -0.856 55.546 56.400 0.003 0.000 0.796 46 E CB 1.294 30.996 29.700 0.004 0.000 1.330 46 E HN -0.230 nan 8.360 nan 0.000 0.455 47 D N 0.755 121.157 120.400 0.003 0.000 2.283 47 D HA 0.109 4.748 4.640 -0.002 0.000 0.248 47 D C 0.068 176.371 176.300 0.004 0.000 1.072 47 D CA -0.133 53.869 54.000 0.003 0.000 0.929 47 D CB 0.779 41.580 40.800 0.003 0.000 1.182 47 D HN 0.658 nan 8.370 nan 0.000 0.433 48 N N 0.539 119.242 118.700 0.004 0.000 2.740 48 N HA -0.215 4.524 4.740 -0.002 0.000 0.248 48 N C -1.126 174.388 175.510 0.007 0.000 1.062 48 N CA 0.069 53.122 53.050 0.005 0.000 0.704 48 N CB -1.222 37.267 38.487 0.005 0.000 0.968 48 N HN 0.305 nan 8.380 nan 0.000 0.547 49 L N 0.806 122.033 121.223 0.007 0.000 2.315 49 L HA 0.339 4.678 4.340 -0.002 0.000 0.283 49 L C 1.316 178.192 176.870 0.010 0.000 1.089 49 L CA 0.339 55.184 54.840 0.009 0.000 0.833 49 L CB 0.622 42.686 42.059 0.009 0.000 1.170 49 L HN 0.229 nan 8.230 nan 0.000 0.442 50 R N 2.178 122.685 120.500 0.011 0.000 2.307 50 R HA 0.279 4.617 4.340 -0.002 0.000 0.200 50 R C -0.214 176.097 176.300 0.017 0.000 0.893 50 R CA 0.564 56.672 56.100 0.013 0.000 1.042 50 R CB 0.291 30.598 30.300 0.012 0.000 1.059 50 R HN 0.765 nan 8.270 nan 0.000 0.530 51 S N 0.229 115.939 115.700 0.017 0.000 2.567 51 S HA 0.567 5.036 4.470 -0.002 0.000 0.270 51 S C -1.227 173.384 174.600 0.019 0.000 1.152 51 S CA -1.184 57.029 58.200 0.022 0.000 0.835 51 S CB 1.546 64.760 63.200 0.024 0.000 1.115 51 S HN 0.110 nan 8.310 nan 0.000 0.459 52 L N -1.094 120.141 121.223 0.021 0.000 2.359 52 L HA 1.015 5.354 4.340 -0.002 0.000 0.256 52 L C -1.292 175.588 176.870 0.016 0.000 1.026 52 L CA -1.101 53.748 54.840 0.015 0.000 0.828 52 L CB 1.368 43.434 42.059 0.011 0.000 1.406 52 L HN 0.544 nan 8.230 nan 0.000 0.413 53 V N 1.855 121.775 119.914 0.009 0.000 2.555 53 V HA 0.622 4.741 4.120 -0.002 0.000 0.302 53 V C -0.068 176.024 176.094 -0.004 0.000 1.038 53 V CA -0.391 61.913 62.300 0.007 0.000 0.887 53 V CB 1.589 33.416 31.823 0.007 0.000 0.991 53 V HN 0.671 nan 8.190 nan 0.000 0.434 54 L N 2.386 123.602 121.223 -0.011 0.000 2.301 54 L HA 0.645 4.983 4.340 -0.002 0.000 0.264 54 L C -0.559 176.293 176.870 -0.030 0.000 1.016 54 L CA -0.859 53.964 54.840 -0.027 0.000 0.821 54 L CB 2.174 44.206 42.059 -0.046 0.000 1.346 54 L HN 0.530 nan 8.230 nan 0.000 0.429 55 D N 0.777 121.155 120.400 -0.038 0.000 2.225 55 D HA 0.491 5.129 4.640 -0.002 0.000 0.249 55 D C -0.364 175.903 176.300 -0.055 0.000 1.052 55 D CA 0.219 54.196 54.000 -0.038 0.000 0.909 55 D CB 2.091 42.872 40.800 -0.030 0.000 1.186 55 D HN 0.617 nan 8.370 nan 0.000 0.431 56 T N -1.531 112.996 114.554 -0.046 0.000 2.889 56 T HA 0.531 4.879 4.350 -0.002 0.000 0.315 56 T C -0.878 173.805 174.700 -0.028 0.000 1.291 56 T CA -1.069 61.001 62.100 -0.051 0.000 1.028 56 T CB 2.433 71.275 68.868 -0.044 0.000 1.235 56 T HN 0.279 nan 8.240 nan 0.000 0.491 57 K N 1.330 121.720 120.400 -0.017 0.000 2.687 57 K HA 0.342 4.660 4.320 -0.002 0.000 0.249 57 K C -1.002 175.611 176.600 0.021 0.000 0.994 57 K CA -0.478 55.812 56.287 0.006 0.000 0.913 57 K CB 0.684 33.196 32.500 0.020 0.000 1.202 57 K HN 0.803 nan 8.250 nan 0.000 0.460 58 D N 2.715 123.129 120.400 0.023 0.000 2.723 58 D HA -0.210 4.429 4.640 -0.002 0.000 0.236 58 D C -0.533 175.792 176.300 0.042 0.000 1.138 58 D CA 1.024 55.043 54.000 0.031 0.000 0.676 58 D CB -0.708 40.113 40.800 0.035 0.000 1.069 58 D HN 0.458 nan 8.370 nan 0.000 0.430 59 L N 0.101 121.348 121.223 0.040 0.000 2.322 59 L HA 0.341 4.680 4.340 -0.002 0.000 0.279 59 L C 0.923 177.835 176.870 0.070 0.000 1.036 59 L CA -0.406 54.473 54.840 0.065 0.000 0.807 59 L CB 1.866 43.948 42.059 0.038 0.000 1.226 59 L HN -0.204 nan 8.230 nan 0.000 0.433 60 T N 4.146 118.755 114.554 0.091 0.000 2.733 60 T HA 0.436 4.785 4.350 -0.002 0.000 0.294 60 T C -0.044 174.707 174.700 0.086 0.000 0.956 60 T CA -0.305 61.837 62.100 0.071 0.000 0.987 60 T CB 0.394 69.290 68.868 0.046 0.000 0.920 60 T HN 0.148 nan 8.240 nan 0.000 0.470 61 I N 3.799 124.409 120.570 0.067 0.000 2.307 61 I HA 0.259 4.428 4.170 -0.002 0.000 0.289 61 I C 1.340 177.491 176.117 0.057 0.000 1.021 61 I CA -0.441 60.870 61.300 0.018 0.000 1.224 61 I CB 1.195 39.111 38.000 -0.139 0.000 1.376 61 I HN 0.791 nan 8.210 nan 0.000 0.470 62 E N 7.059 127.282 120.200 0.038 0.000 2.060 62 E HA -0.035 4.313 4.350 -0.002 0.000 0.189 62 E C 0.172 176.843 176.600 0.119 0.000 0.974 62 E CA 0.968 57.407 56.400 0.066 0.000 0.808 62 E CB 0.645 30.356 29.700 0.019 0.000 0.768 62 E HN 0.708 nan 8.360 nan 0.000 0.453 63 K N -1.591 118.843 120.400 0.056 0.000 2.642 63 K HA 0.374 4.693 4.320 -0.002 0.000 0.290 63 K C -1.662 174.930 176.600 -0.013 0.000 1.006 63 K CA -0.859 55.495 56.287 0.112 0.000 0.869 63 K CB 1.739 34.306 32.500 0.112 0.000 1.499 63 K HN -0.102 nan 8.250 nan 0.000 0.403 64 V N 1.421 121.361 119.914 0.042 0.000 2.483 64 V HA 0.380 4.499 4.120 -0.002 0.000 0.297 64 V C -0.857 175.275 176.094 0.064 0.000 1.027 64 V CA -0.836 61.466 62.300 0.003 0.000 0.855 64 V CB 1.651 33.454 31.823 -0.032 0.000 0.995 64 V HN 0.566 nan 8.190 nan 0.000 0.424 65 V N 6.404 126.346 119.914 0.047 0.000 2.435 65 V HA 0.559 4.677 4.120 -0.002 0.000 0.290 65 V C -0.227 175.894 176.094 0.046 0.000 1.030 65 V CA -0.389 61.941 62.300 0.050 0.000 0.881 65 V CB 1.809 33.659 31.823 0.045 0.000 0.983 65 V HN 0.697 nan 8.190 nan 0.000 0.445 66 I N 4.382 124.979 120.570 0.044 0.000 2.466 66 I HA 0.445 4.614 4.170 -0.002 0.000 0.289 66 I C -0.229 175.908 176.117 0.034 0.000 1.026 66 I CA -0.705 60.618 61.300 0.039 0.000 1.078 66 I CB 1.827 39.850 38.000 0.038 0.000 1.249 66 I HN 0.646 nan 8.210 nan 0.000 0.429 67 N N 5.343 124.062 118.700 0.031 0.000 2.642 67 N HA -0.196 4.543 4.740 -0.002 0.000 0.269 67 N C 1.028 176.553 175.510 0.025 0.000 1.073 67 N CA 1.193 54.258 53.050 0.025 0.000 0.748 67 N CB -0.773 37.726 38.487 0.021 0.000 0.894 67 N HN 1.182 nan 8.380 nan 0.000 0.548 68 G N -1.140 107.677 108.800 0.028 0.000 2.249 68 G HA2 -0.369 3.589 3.960 -0.002 0.000 0.269 68 G HA3 -0.369 3.589 3.960 -0.002 0.000 0.269 68 G C 0.087 175.004 174.900 0.028 0.000 0.979 68 G CA 1.128 46.244 45.100 0.027 0.000 0.644 68 G HN 0.565 nan 8.290 nan 0.000 0.546 69 Q N 0.186 120.005 119.800 0.030 0.000 2.297 69 Q HA 0.523 4.862 4.340 -0.002 0.000 0.268 69 Q C -0.015 176.010 176.000 0.042 0.000 1.045 69 Q CA -0.565 55.257 55.803 0.032 0.000 0.861 69 Q CB 1.320 30.075 28.738 0.028 0.000 1.344 69 Q HN 0.602 nan 8.270 nan 0.000 0.452 70 E N 0.773 121.001 120.200 0.047 0.000 2.313 70 E HA 0.346 4.695 4.350 -0.002 0.000 0.276 70 E C -0.149 176.494 176.600 0.071 0.000 1.031 70 E CA -0.412 56.028 56.400 0.067 0.000 0.857 70 E CB 1.342 31.083 29.700 0.068 0.000 1.040 70 E HN 0.391 nan 8.360 nan 0.000 0.408 71 V N -0.029 119.946 119.914 0.101 0.000 3.166 71 V HA 0.505 4.624 4.120 -0.002 0.000 0.317 71 V C -0.207 175.966 176.094 0.132 0.000 1.136 71 V CA -1.122 61.235 62.300 0.096 0.000 1.035 71 V CB 1.829 33.703 31.823 0.086 0.000 1.110 71 V HN 0.428 nan 8.190 nan 0.000 0.450 72 K N 1.196 121.645 120.400 0.081 0.000 2.185 72 K HA 0.429 4.748 4.320 -0.002 0.000 0.271 72 K C -1.351 175.325 176.600 0.126 0.000 1.013 72 K CA -0.075 56.229 56.287 0.028 0.000 0.943 72 K CB 1.059 33.555 32.500 -0.008 0.000 0.998 72 K HN 1.010 nan 8.250 nan 0.000 0.468 73 Y N -1.418 118.888 120.300 0.010 0.000 2.565 73 Y HA 0.629 5.177 4.550 -0.002 0.000 0.330 73 Y C -1.755 174.150 175.900 0.008 0.000 1.150 73 Y CA -1.268 56.838 58.100 0.010 0.000 1.055 73 Y CB 0.792 39.260 38.460 0.014 0.000 1.337 73 Y HN 0.503 nan 8.280 nan 0.000 0.457 74 A N 3.405 126.334 122.820 0.182 0.000 2.454 74 A HA 0.831 5.150 4.320 -0.002 0.000 0.302 74 A C -1.987 175.695 177.584 0.164 0.000 1.079 74 A CA -1.005 51.087 52.037 0.092 0.000 0.731 74 A CB 1.640 20.653 19.000 0.022 0.000 1.299 74 A HN 0.843 nan 8.150 nan 0.000 0.413 75 L N 2.290 123.589 121.223 0.125 0.000 2.305 75 L HA 0.545 4.884 4.340 -0.002 0.000 0.284 75 L C 0.998 177.898 176.870 0.050 0.000 1.013 75 L CA -0.642 54.257 54.840 0.098 0.000 0.819 75 L CB 1.656 43.781 42.059 0.110 0.000 1.227 75 L HN 0.950 nan 8.230 nan 0.000 0.417 76 G N 2.134 110.954 108.800 0.034 0.000 2.621 76 G HA2 0.255 4.214 3.960 -0.002 0.000 0.271 76 G HA3 0.255 4.214 3.960 -0.002 0.000 0.271 76 G C -0.241 174.665 174.900 0.010 0.000 1.236 76 G CA -0.488 44.622 45.100 0.016 0.000 0.958 76 G HN 0.733 nan 8.290 nan 0.000 0.512 77 E N -0.531 119.671 120.200 0.003 0.000 2.390 77 E HA 0.223 4.572 4.350 -0.002 0.000 0.261 77 E C 0.281 176.875 176.600 -0.011 0.000 1.076 77 E CA -0.671 55.729 56.400 -0.001 0.000 0.905 77 E CB 1.133 30.831 29.700 -0.003 0.000 0.984 77 E HN 0.440 nan 8.360 nan 0.000 0.427 78 R N 1.165 121.658 120.500 -0.011 0.000 2.623 78 R HA -0.056 4.283 4.340 -0.002 0.000 0.271 78 R C -0.289 175.984 176.300 -0.044 0.000 1.043 78 R CA 0.334 56.420 56.100 -0.025 0.000 1.083 78 R CB 0.481 30.772 30.300 -0.015 0.000 0.974 78 R HN 0.622 nan 8.270 nan 0.000 0.436 79 Q N 2.996 122.749 119.800 -0.079 0.000 2.788 79 Q HA 0.109 4.447 4.340 -0.002 0.000 0.285 79 Q C -0.048 175.832 176.000 -0.200 0.000 1.063 79 Q CA -0.211 55.520 55.803 -0.121 0.000 0.958 79 Q CB 1.204 29.861 28.738 -0.135 0.000 1.211 79 Q HN 0.971 nan 8.270 nan 0.000 0.478 80 S N 0.631 116.260 115.700 -0.118 0.000 4.050 80 S HA -0.359 4.110 4.470 -0.002 0.000 0.602 80 S C 0.950 175.483 174.600 -0.111 0.000 2.030 80 S CA 2.144 60.292 58.200 -0.086 0.000 4.208 80 S CB -1.021 62.142 63.200 -0.062 0.000 0.290 80 S HN 0.825 nan 8.310 nan 0.000 0.615 81 Y N 0.951 121.259 120.300 0.012 0.000 2.571 81 Y HA 0.377 4.926 4.550 -0.002 0.000 0.294 81 Y C 1.945 177.835 175.900 -0.017 0.000 1.141 81 Y CA 1.048 59.151 58.100 0.005 0.000 1.308 81 Y CB -0.469 37.991 38.460 0.001 0.000 1.002 81 Y HN 0.362 nan 8.280 nan 0.000 0.551 82 K N 0.878 120.951 120.400 -0.546 0.000 2.418 82 K HA 0.265 4.584 4.320 -0.002 0.000 0.195 82 K C 1.212 177.729 176.600 -0.139 0.000 1.035 82 K CA 0.524 56.626 56.287 -0.310 0.000 1.003 82 K CB -0.120 32.154 32.500 -0.378 0.000 0.793 82 K HN 0.605 nan 8.250 nan 0.000 0.494 83 G N 0.669 109.403 108.800 -0.110 0.000 2.568 83 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.222 83 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.222 83 G C -0.799 174.068 174.900 -0.055 0.000 1.321 83 G CA -0.541 44.526 45.100 -0.054 0.000 0.893 83 G HN 0.152 nan 8.290 nan 0.000 0.569 84 S N 2.661 118.342 115.700 -0.031 0.000 2.502 84 S HA 0.745 5.214 4.470 -0.002 0.000 0.304 84 S C -2.573 172.018 174.600 -0.015 0.000 1.097 84 S CA -0.737 57.451 58.200 -0.020 0.000 1.045 84 S CB 2.699 65.898 63.200 -0.002 0.000 1.019 84 S HN 0.770 nan 8.310 nan 0.000 0.481 85 P HA 0.192 nan 4.420 nan 0.000 0.275 85 P C -1.117 176.191 177.300 0.013 0.000 1.227 85 P CA -0.370 62.727 63.100 -0.005 0.000 0.781 85 P CB 0.598 32.296 31.700 -0.004 0.000 0.906 86 M N 2.672 122.279 119.600 0.012 0.000 2.043 86 M HA 0.247 4.726 4.480 -0.002 0.000 0.322 86 M C -0.231 176.094 176.300 0.042 0.000 0.962 86 M CA -0.555 54.764 55.300 0.033 0.000 0.927 86 M CB 0.904 33.500 32.600 -0.007 0.000 1.466 86 M HN 0.307 nan 8.290 nan 0.000 0.412 87 E N 5.150 125.392 120.200 0.071 0.000 2.200 87 E HA 0.435 4.784 4.350 -0.002 0.000 0.283 87 E C -1.404 175.257 176.600 0.102 0.000 1.015 87 E CA -0.365 56.074 56.400 0.065 0.000 0.819 87 E CB 1.030 30.761 29.700 0.052 0.000 1.081 87 E HN 0.701 nan 8.360 nan 0.000 0.397 88 I N 3.210 123.826 120.570 0.077 0.000 2.378 88 I HA 0.201 4.370 4.170 -0.002 0.000 0.291 88 I C -0.266 175.892 176.117 0.069 0.000 0.992 88 I CA -0.764 60.592 61.300 0.094 0.000 1.154 88 I CB 2.029 40.063 38.000 0.058 0.000 1.315 88 I HN 0.386 nan 8.210 nan 0.000 0.448 89 S N 6.845 122.591 115.700 0.076 0.000 2.489 89 S HA 0.483 4.952 4.470 -0.002 0.000 0.277 89 S C -0.106 174.521 174.600 0.045 0.000 1.230 89 S CA -0.610 57.620 58.200 0.049 0.000 1.053 89 S CB 0.564 63.789 63.200 0.041 0.000 0.955 89 S HN 0.325 nan 8.310 nan 0.000 0.488 90 L N 5.676 126.919 121.223 0.033 0.000 2.305 90 L HA 0.298 4.637 4.340 -0.002 0.000 0.281 90 L C -1.005 175.880 176.870 0.025 0.000 1.085 90 L CA -1.688 53.170 54.840 0.029 0.000 0.813 90 L CB 0.586 42.659 42.059 0.023 0.000 1.157 90 L HN 0.471 nan 8.230 nan 0.000 0.436 91 P HA 0.020 nan 4.420 nan 0.000 0.230 91 P C 0.079 177.389 177.300 0.016 0.000 1.158 91 P CA 1.086 64.199 63.100 0.021 0.000 0.769 91 P CB 0.514 32.228 31.700 0.023 0.000 0.807 92 I N -0.870 119.709 120.570 0.016 0.000 2.752 92 I HA 0.396 4.565 4.170 -0.002 0.000 0.295 92 I C -0.395 175.729 176.117 0.012 0.000 1.219 92 I CA -1.542 59.766 61.300 0.012 0.000 1.030 92 I CB 2.379 40.386 38.000 0.011 0.000 1.259 92 I HN -0.265 nan 8.210 nan 0.000 0.423 93 A N 6.913 129.739 122.820 0.010 0.000 2.454 93 A HA 0.569 4.887 4.320 -0.002 0.000 0.260 93 A C -0.368 177.220 177.584 0.008 0.000 1.106 93 A CA -0.050 51.993 52.037 0.009 0.000 0.780 93 A CB 0.091 19.095 19.000 0.007 0.000 1.044 93 A HN 0.636 nan 8.150 nan 0.000 0.498 94 L N 2.136 123.363 121.223 0.008 0.000 2.379 94 L HA 0.488 4.827 4.340 -0.002 0.000 0.269 94 L C 0.856 177.730 176.870 0.005 0.000 1.084 94 L CA -0.268 54.576 54.840 0.007 0.000 0.802 94 L CB 1.654 43.718 42.059 0.008 0.000 1.175 94 L HN 0.755 nan 8.230 nan 0.000 0.448 95 S N 0.791 116.493 115.700 0.004 0.000 2.726 95 S HA 0.389 4.858 4.470 -0.002 0.000 0.308 95 S C -0.542 174.059 174.600 0.002 0.000 1.115 95 S CA -0.839 57.363 58.200 0.003 0.000 0.965 95 S CB 1.242 64.443 63.200 0.001 0.000 1.145 95 S HN 0.466 nan 8.310 nan 0.000 0.532 96 K N 2.105 122.506 120.400 0.001 0.000 2.543 96 K HA -0.050 4.269 4.320 -0.002 0.000 0.279 96 K C 0.568 177.167 176.600 -0.001 0.000 1.001 96 K CA 1.085 57.372 56.287 0.000 0.000 1.088 96 K CB -0.338 32.162 32.500 -0.001 0.000 0.863 96 K HN 0.760 nan 8.250 nan 0.000 0.488 97 N N 0.771 119.471 118.700 -0.001 0.000 2.900 97 N HA -0.250 4.489 4.740 -0.002 0.000 0.240 97 N C -0.800 174.708 175.510 -0.003 0.000 0.953 97 N CA 0.636 53.684 53.050 -0.003 0.000 0.950 97 N CB -0.475 38.008 38.487 -0.006 0.000 1.102 97 N HN 0.621 nan 8.380 nan 0.000 0.593 98 Q N 0.960 120.759 119.800 -0.001 0.000 2.327 98 Q HA 0.270 4.609 4.340 -0.002 0.000 0.254 98 Q C -0.317 175.685 176.000 0.003 0.000 0.952 98 Q CA 0.493 56.296 55.803 0.000 0.000 0.884 98 Q CB 0.931 29.670 28.738 0.002 0.000 1.224 98 Q HN 0.223 nan 8.270 nan 0.000 0.422 99 E N 1.392 121.594 120.200 0.003 0.000 2.235 99 E HA 0.709 5.058 4.350 -0.002 0.000 0.265 99 E C -1.030 175.577 176.600 0.011 0.000 0.940 99 E CA -0.690 55.714 56.400 0.008 0.000 0.819 99 E CB 2.192 31.895 29.700 0.006 0.000 1.206 99 E HN 0.412 nan 8.360 nan 0.000 0.409 100 I N 0.893 121.473 120.570 0.017 0.000 2.841 100 I HA 0.278 4.447 4.170 -0.002 0.000 0.298 100 I C -1.673 174.461 176.117 0.029 0.000 1.304 100 I CA -1.047 60.265 61.300 0.021 0.000 1.019 100 I CB 1.860 39.872 38.000 0.020 0.000 1.282 100 I HN 0.392 nan 8.210 nan 0.000 0.432 101 V N 5.283 125.217 119.914 0.034 0.000 2.435 101 V HA 0.653 4.772 4.120 -0.002 0.000 0.290 101 V C -0.519 175.601 176.094 0.043 0.000 1.030 101 V CA -0.370 61.957 62.300 0.046 0.000 0.881 101 V CB 1.360 33.216 31.823 0.056 0.000 0.983 101 V HN 0.503 nan 8.190 nan 0.000 0.445 102 I N 3.872 124.467 120.570 0.042 0.000 2.389 102 I HA 0.529 4.698 4.170 -0.002 0.000 0.288 102 I C -0.064 176.076 176.117 0.039 0.000 0.999 102 I CA -0.309 61.012 61.300 0.034 0.000 1.129 102 I CB 1.849 39.861 38.000 0.020 0.000 1.288 102 I HN 0.808 nan 8.210 nan 0.000 0.444 103 E N 7.581 127.807 120.200 0.043 0.000 2.133 103 E HA 0.546 4.895 4.350 -0.002 0.000 0.274 103 E C -1.323 175.300 176.600 0.039 0.000 0.930 103 E CA -0.620 55.812 56.400 0.054 0.000 0.770 103 E CB 1.458 31.196 29.700 0.064 0.000 1.104 103 E HN 0.523 nan 8.360 nan 0.000 0.403 104 I N 3.036 123.638 120.570 0.054 0.000 2.406 104 I HA 0.194 4.363 4.170 -0.002 0.000 0.290 104 I C -0.203 176.007 176.117 0.155 0.000 0.999 104 I CA -0.623 60.706 61.300 0.048 0.000 1.124 104 I CB 2.056 40.056 38.000 -0.001 0.000 1.289 104 I HN 0.340 nan 8.210 nan 0.000 0.441 105 S N 6.559 122.304 115.700 0.075 0.000 2.452 105 S HA 0.650 5.119 4.470 -0.002 0.000 0.284 105 S C -0.572 174.055 174.600 0.046 0.000 1.171 105 S CA -0.441 57.769 58.200 0.016 0.000 1.064 105 S CB 0.259 63.443 63.200 -0.026 0.000 0.967 105 S HN 0.446 nan 8.310 nan 0.000 0.484 106 F N 0.767 120.686 119.950 -0.052 0.000 2.692 106 F HA 0.827 5.353 4.527 -0.002 0.000 0.320 106 F C -0.717 175.064 175.800 -0.032 0.000 1.123 106 F CA -1.254 56.716 58.000 -0.050 0.000 0.961 106 F CB 1.326 40.289 39.000 -0.061 0.000 1.383 106 F HN 0.426 nan 8.300 nan 0.000 0.483 107 E N 0.833 121.044 120.200 0.018 0.000 2.304 107 E HA 0.382 4.731 4.350 -0.002 0.000 0.277 107 E C -1.345 175.355 176.600 0.166 0.000 0.898 107 E CA -0.822 55.559 56.400 -0.030 0.000 0.764 107 E CB 2.103 31.764 29.700 -0.065 0.000 1.216 107 E HN 0.947 nan 8.360 nan 0.000 0.419 108 T N 0.753 115.422 114.554 0.192 0.000 2.882 108 T HA 0.324 4.673 4.350 -0.002 0.000 0.287 108 T C 0.424 175.183 174.700 0.099 0.000 1.014 108 T CA -0.690 61.520 62.100 0.184 0.000 1.049 108 T CB 1.586 70.586 68.868 0.219 0.000 1.001 108 T HN 0.255 nan 8.240 nan 0.000 0.525 109 S N 1.430 117.181 115.700 0.085 0.000 2.586 109 S HA 0.371 4.840 4.470 -0.002 0.000 0.274 109 S C -1.716 172.909 174.600 0.041 0.000 1.281 109 S CA -1.664 56.559 58.200 0.038 0.000 1.035 109 S CB 0.608 63.828 63.200 0.033 0.000 0.962 109 S HN 0.569 nan 8.310 nan 0.000 0.512 110 P HA 0.023 nan 4.420 nan 0.000 0.222 110 P C 0.201 177.513 177.300 0.020 0.000 1.147 110 P CA 0.948 63.976 63.100 -0.121 0.000 0.790 110 P CB 0.136 31.708 31.700 -0.213 0.000 0.780 111 K N -0.787 119.623 120.400 0.017 0.000 2.437 111 K HA 0.127 4.446 4.320 -0.002 0.000 0.198 111 K C 0.419 177.038 176.600 0.031 0.000 1.024 111 K CA -0.033 56.266 56.287 0.021 0.000 1.148 111 K CB -0.750 31.752 32.500 0.004 0.000 0.860 111 K HN -0.059 nan 8.250 nan 0.000 0.515 112 S N 0.956 116.696 115.700 0.068 0.000 2.626 112 S HA -0.086 4.383 4.470 -0.002 0.000 0.303 112 S C 1.365 175.957 174.600 -0.013 0.000 1.256 112 S CA 0.233 58.465 58.200 0.054 0.000 1.069 112 S CB 0.263 63.519 63.200 0.093 0.000 0.807 112 S HN 0.505 nan 8.310 nan 0.000 0.500 113 S N 4.253 119.949 115.700 -0.006 0.000 2.515 113 S HA 0.044 4.513 4.470 -0.002 0.000 0.231 113 S C 1.705 176.160 174.600 -0.241 0.000 0.987 113 S CA 0.443 58.584 58.200 -0.098 0.000 0.936 113 S CB -0.297 62.924 63.200 0.036 0.000 0.766 113 S HN 0.930 nan 8.310 nan 0.000 0.528 114 A N 0.839 123.604 122.820 -0.091 0.000 2.123 114 A HA 0.498 4.817 4.320 -0.002 0.000 0.214 114 A C 0.793 178.314 177.584 -0.105 0.000 1.152 114 A CA 0.130 52.133 52.037 -0.057 0.000 0.728 114 A CB -0.218 18.809 19.000 0.045 0.000 0.814 114 A HN 0.555 nan 8.150 nan 0.000 0.464 115 L N -0.916 120.187 121.223 -0.199 0.000 2.333 115 L HA 0.534 4.873 4.340 -0.002 0.000 0.269 115 L C -0.275 176.287 176.870 -0.512 0.000 1.010 115 L CA -0.632 53.995 54.840 -0.356 0.000 0.818 115 L CB 1.884 43.714 42.059 -0.381 0.000 1.306 115 L HN 0.266 nan 8.230 nan 0.000 0.430 116 Q N 1.215 120.565 119.800 -0.749 0.000 2.310 116 Q HA 0.353 4.692 4.340 -0.002 0.000 0.270 116 Q C -2.065 173.627 176.000 -0.513 0.000 1.025 116 Q CA -0.584 54.843 55.803 -0.626 0.000 0.772 116 Q CB 1.555 29.853 28.738 -0.734 0.000 1.253 116 Q HN 0.509 nan 8.270 nan 0.000 0.450 117 W N 4.710 125.923 121.300 -0.144 0.000 2.314 117 W HA 0.429 5.088 4.660 -0.002 0.000 0.310 117 W C -1.048 175.514 176.519 0.072 0.000 1.075 117 W CA -0.516 56.838 57.345 0.015 0.000 1.253 117 W CB 0.839 30.307 29.460 0.013 0.000 1.238 117 W HN 0.443 nan 8.180 nan 0.000 0.440 118 L N 3.537 124.977 121.223 0.360 0.000 2.309 118 L HA 0.485 4.824 4.340 -0.002 0.000 0.282 118 L C 0.985 178.013 176.870 0.264 0.000 1.036 118 L CA -0.575 54.424 54.840 0.266 0.000 0.806 118 L CB 1.109 43.306 42.059 0.229 0.000 1.220 118 L HN 0.434 nan 8.230 nan 0.000 0.429 119 T N -0.126 114.533 114.554 0.174 0.000 2.828 119 T HA 0.282 4.631 4.350 -0.002 0.000 0.290 119 T C -1.925 172.834 174.700 0.098 0.000 1.019 119 T CA -1.493 60.684 62.100 0.128 0.000 1.031 119 T CB 0.797 69.712 68.868 0.078 0.000 1.001 119 T HN 0.402 nan 8.240 nan 0.000 0.531 120 P HA -0.064 nan 4.420 nan 0.000 0.218 120 P C 1.244 178.564 177.300 0.034 0.000 1.148 120 P CA 0.894 64.019 63.100 0.041 0.000 0.822 120 P CB 0.007 31.705 31.700 -0.004 0.000 0.784 121 E N -0.492 119.725 120.200 0.028 0.000 2.209 121 E HA -0.188 4.161 4.350 -0.002 0.000 0.196 121 E C 1.791 178.409 176.600 0.031 0.000 0.993 121 E CA 1.111 57.524 56.400 0.021 0.000 0.819 121 E CB -0.769 28.940 29.700 0.015 0.000 0.745 121 E HN 0.432 nan 8.360 nan 0.000 0.477 122 Q N -0.081 119.747 119.800 0.047 0.000 2.403 122 Q HA 0.052 4.391 4.340 -0.002 0.000 0.203 122 Q C 0.327 176.347 176.000 0.034 0.000 0.932 122 Q CA 0.644 56.478 55.803 0.051 0.000 0.945 122 Q CB 0.341 29.124 28.738 0.075 0.000 1.045 122 Q HN 0.281 nan 8.270 nan 0.000 0.511 123 T N -4.596 109.978 114.554 0.033 0.000 2.937 123 T HA 0.315 4.664 4.350 -0.002 0.000 0.283 123 T C 1.063 175.774 174.700 0.019 0.000 1.012 123 T CA -0.657 61.450 62.100 0.013 0.000 0.997 123 T CB 1.685 70.591 68.868 0.063 0.000 1.136 123 T HN -0.198 nan 8.240 nan 0.000 0.551 124 S N 0.232 115.942 115.700 0.017 0.000 2.368 124 S HA 0.083 4.552 4.470 -0.002 0.000 0.224 124 S C 2.214 176.835 174.600 0.036 0.000 1.029 124 S CA 1.177 59.392 58.200 0.026 0.000 0.988 124 S CB -0.914 62.303 63.200 0.030 0.000 0.838 124 S HN 0.945 nan 8.310 nan 0.000 0.462 125 G N 0.717 109.550 108.800 0.056 0.000 2.511 125 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.217 125 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.217 125 G C 0.501 175.411 174.900 0.018 0.000 1.133 125 G CA 0.464 45.596 45.100 0.053 0.000 0.792 125 G HN 0.295 nan 8.290 nan 0.000 0.539 126 K N -0.690 119.719 120.400 0.015 0.000 3.529 126 K HA -0.168 4.151 4.320 -0.002 0.000 0.313 126 K C 0.998 177.562 176.600 -0.060 0.000 1.316 126 K CA 1.655 57.936 56.287 -0.011 0.000 0.988 126 K CB -1.315 31.179 32.500 -0.011 0.000 1.252 126 K HN 0.491 nan 8.250 nan 0.000 0.438 127 E N 0.145 120.274 120.200 -0.118 0.000 2.447 127 E HA 0.104 4.452 4.350 -0.002 0.000 0.204 127 E C 0.303 176.595 176.600 -0.513 0.000 0.977 127 E CA 0.375 56.583 56.400 -0.322 0.000 0.950 127 E CB 0.411 29.852 29.700 -0.433 0.000 0.975 127 E HN 0.444 nan 8.360 nan 0.000 0.496 128 H N -0.017 119.045 119.070 -0.013 0.000 2.895 128 H HA 0.337 4.891 4.556 -0.002 0.000 0.373 128 H C -2.286 172.994 175.328 -0.080 0.000 1.174 128 H CA -1.796 54.214 56.048 -0.065 0.000 1.144 128 H CB 2.225 31.948 29.762 -0.063 0.000 1.793 128 H HN -0.113 nan 8.280 nan 0.000 0.551 129 P HA 0.176 nan 4.420 nan 0.000 0.289 129 P C -1.066 176.212 177.300 -0.037 0.000 1.299 129 P CA -0.147 62.882 63.100 -0.118 0.000 0.766 129 P CB 1.627 33.124 31.700 -0.337 0.000 1.226 130 Y N -1.126 119.225 120.300 0.085 0.000 2.558 130 Y HA 0.560 5.108 4.550 -0.002 0.000 0.333 130 Y C -1.801 174.319 175.900 0.367 0.000 1.125 130 Y CA -1.021 57.205 58.100 0.209 0.000 1.039 130 Y CB 1.446 40.001 38.460 0.158 0.000 1.331 130 Y HN 0.339 nan 8.280 nan 0.000 0.456 131 L N 6.716 128.116 121.223 0.295 0.000 2.445 131 L HA 0.859 5.198 4.340 -0.002 0.000 0.262 131 L C -2.085 174.789 176.870 0.006 0.000 0.974 131 L CA -0.760 54.055 54.840 -0.042 0.000 0.822 131 L CB 1.839 43.568 42.059 -0.551 0.000 1.339 131 L HN 0.511 nan 8.230 nan 0.000 0.409 132 F N 1.386 121.303 119.950 -0.056 0.000 2.641 132 F HA 0.886 5.412 4.527 -0.002 0.000 0.308 132 F C -0.813 175.020 175.800 0.056 0.000 1.105 132 F CA -0.407 57.616 58.000 0.038 0.000 0.964 132 F CB 1.059 40.178 39.000 0.198 0.000 1.294 132 F HN 0.623 nan 8.300 nan 0.000 0.442 133 S N 1.547 117.469 115.700 0.370 0.000 2.718 133 S HA 0.801 5.270 4.470 -0.002 0.000 0.300 133 S C -0.978 173.920 174.600 0.497 0.000 1.117 133 S CA -0.588 57.759 58.200 0.246 0.000 1.002 133 S CB 1.920 65.171 63.200 0.085 0.000 1.092 133 S HN 0.997 nan 8.310 nan 0.000 0.542 134 Q N 0.118 120.110 119.800 0.319 0.000 2.759 134 Q HA 0.405 4.744 4.340 -0.002 0.000 0.225 134 Q C -0.804 175.301 176.000 0.175 0.000 0.823 134 Q CA -0.465 55.517 55.803 0.299 0.000 0.828 134 Q CB 0.241 29.212 28.738 0.389 0.000 1.425 134 Q HN 0.767 nan 8.270 nan 0.000 0.449 135 C N 1.967 121.341 119.300 0.124 0.000 2.504 135 C HA 0.172 4.630 4.460 -0.002 0.000 0.279 135 C C 1.062 176.127 174.990 0.125 0.000 1.358 135 C CA 0.138 59.242 59.018 0.143 0.000 1.747 135 C CB -0.184 27.603 27.740 0.078 0.000 2.037 135 C HN 0.793 nan 8.230 nan 0.000 0.503 136 Q N 0.469 120.300 119.800 0.052 0.000 2.337 136 Q HA 0.330 4.669 4.340 -0.002 0.000 0.270 136 Q C 0.877 176.704 176.000 -0.288 0.000 1.002 136 Q CA 0.285 55.982 55.803 -0.176 0.000 0.888 136 Q CB 0.926 29.514 28.738 -0.248 0.000 1.222 136 Q HN 0.490 nan 8.270 nan 0.000 0.400 137 A N 5.004 127.473 122.820 -0.585 0.000 1.887 137 A HA 0.044 4.363 4.320 -0.002 0.000 0.212 137 A C 1.211 178.503 177.584 -0.487 0.000 1.198 137 A CA 0.907 52.337 52.037 -1.012 0.000 0.628 137 A CB -0.021 17.919 19.000 -1.766 0.000 0.847 137 A HN 0.821 nan 8.150 nan 0.000 0.449 138 I N -4.839 115.424 120.570 -0.511 0.000 3.158 138 I HA 0.433 4.601 4.170 -0.002 0.000 0.344 138 I C 0.042 175.912 176.117 -0.412 0.000 1.459 138 I CA -0.351 60.766 61.300 -0.305 0.000 0.956 138 I CB 0.115 37.995 38.000 -0.200 0.000 1.793 138 I HN 0.111 nan 8.210 nan 0.000 0.522 139 H N -0.130 118.926 119.070 -0.024 0.000 2.652 139 H HA 0.167 4.722 4.556 -0.002 0.000 0.274 139 H C 1.845 177.163 175.328 -0.017 0.000 1.021 139 H CA 0.054 56.095 56.048 -0.012 0.000 1.187 139 H CB 0.708 30.468 29.762 -0.004 0.000 1.505 139 H HN 0.694 nan 8.280 nan 0.000 0.530 140 C N 2.192 121.521 119.300 0.048 0.000 2.422 140 C HA -0.123 4.335 4.460 -0.002 0.000 0.279 140 C C 2.945 177.906 174.990 -0.047 0.000 1.305 140 C CA 1.019 60.035 59.018 -0.005 0.000 1.757 140 C CB -0.703 27.026 27.740 -0.018 0.000 1.962 140 C HN 0.632 nan 8.230 nan 0.000 0.499 141 R N 0.985 121.463 120.500 -0.037 0.000 2.293 141 R HA 0.001 4.340 4.340 -0.002 0.000 0.219 141 R C 1.651 177.922 176.300 -0.048 0.000 1.091 141 R CA 1.600 57.664 56.100 -0.059 0.000 1.004 141 R CB -0.552 29.723 30.300 -0.042 0.000 0.865 141 R HN 0.501 nan 8.270 nan 0.000 0.469 142 A N 0.580 123.399 122.820 -0.002 0.000 2.275 142 A HA 0.270 4.589 4.320 -0.002 0.000 0.212 142 A C 1.614 179.198 177.584 0.000 0.000 1.201 142 A CA 0.011 52.062 52.037 0.023 0.000 0.843 142 A CB 0.010 19.061 19.000 0.085 0.000 0.873 142 A HN 0.342 nan 8.150 nan 0.000 0.492 143 I N -1.306 119.228 120.570 -0.060 0.000 3.812 143 I HA 0.216 4.384 4.170 -0.002 0.000 0.292 143 I C -0.210 175.736 176.117 -0.285 0.000 1.206 143 I CA 0.230 61.483 61.300 -0.079 0.000 1.370 143 I CB 0.561 38.510 38.000 -0.085 0.000 1.328 143 I HN 0.321 nan 8.210 nan 0.000 0.453 144 L N -2.897 118.084 121.223 -0.403 0.000 2.540 144 L HA 0.698 5.037 4.340 -0.002 0.000 0.256 144 L C -3.179 173.427 176.870 -0.440 0.000 1.001 144 L CA -2.048 52.337 54.840 -0.759 0.000 0.843 144 L CB 0.390 41.927 42.059 -0.868 0.000 1.436 144 L HN -0.286 nan 8.230 nan 0.000 0.410 145 P HA 0.489 nan 4.420 nan 0.000 0.276 145 P C -0.942 176.247 177.300 -0.186 0.000 1.230 145 P CA -0.237 62.724 63.100 -0.231 0.000 0.776 145 P CB 0.716 32.300 31.700 -0.194 0.000 0.888 146 C N 0.424 119.650 119.300 -0.124 0.000 3.259 146 C HA 0.362 4.821 4.460 -0.002 0.000 0.344 146 C C -1.023 173.936 174.990 -0.053 0.000 1.401 146 C CA -0.893 58.070 59.018 -0.091 0.000 1.219 146 C CB 0.770 28.447 27.740 -0.105 0.000 1.521 146 C HN 0.431 nan 8.230 nan 0.000 0.455 147 Q N 1.109 120.888 119.800 -0.035 0.000 2.472 147 Q HA 0.220 4.559 4.340 -0.002 0.000 0.227 147 Q C -0.681 175.318 176.000 -0.002 0.000 1.156 147 Q CA 0.235 56.028 55.803 -0.016 0.000 0.924 147 Q CB 0.355 29.087 28.738 -0.011 0.000 1.354 147 Q HN 0.610 nan 8.270 nan 0.000 0.525 148 D N 2.339 122.743 120.400 0.007 0.000 2.608 148 D HA 0.035 4.673 4.640 -0.002 0.000 0.224 148 D C -0.900 175.454 176.300 0.090 0.000 1.123 148 D CA 0.336 54.361 54.000 0.042 0.000 1.030 148 D CB 0.147 40.962 40.800 0.025 0.000 1.093 148 D HN 0.292 nan 8.370 nan 0.000 0.497 149 T N 0.729 115.325 114.554 0.070 0.000 2.933 149 T HA 0.402 4.751 4.350 -0.002 0.000 0.305 149 T C -2.334 172.363 174.700 -0.005 0.000 1.092 149 T CA -1.679 60.440 62.100 0.030 0.000 1.008 149 T CB 2.065 70.926 68.868 -0.012 0.000 1.102 149 T HN -0.088 nan 8.240 nan 0.000 0.469 150 P HA 0.047 nan 4.420 nan 0.000 0.237 150 P C 1.167 178.402 177.300 -0.110 0.000 1.178 150 P CA 0.392 63.419 63.100 -0.122 0.000 0.766 150 P CB -0.011 31.393 31.700 -0.494 0.000 0.876 151 S N -1.580 114.053 115.700 -0.112 0.000 2.561 151 S HA 0.068 4.537 4.470 -0.002 0.000 0.225 151 S C 0.777 175.354 174.600 -0.039 0.000 0.977 151 S CA -0.050 58.103 58.200 -0.078 0.000 0.926 151 S CB -0.659 62.499 63.200 -0.069 0.000 0.769 151 S HN -0.079 nan 8.310 nan 0.000 0.533 152 V N 1.791 121.691 119.914 -0.025 0.000 2.495 152 V HA 0.480 4.599 4.120 -0.002 0.000 0.298 152 V C -0.485 175.608 176.094 -0.000 0.000 1.031 152 V CA -0.748 61.547 62.300 -0.009 0.000 0.871 152 V CB 1.838 33.657 31.823 -0.006 0.000 0.988 152 V HN 0.253 nan 8.190 nan 0.000 0.432 153 K N 5.662 126.068 120.400 0.010 0.000 2.345 153 K HA 0.813 5.132 4.320 -0.002 0.000 0.255 153 K C -1.154 175.466 176.600 0.034 0.000 0.934 153 K CA -0.618 55.684 56.287 0.024 0.000 0.801 153 K CB 2.385 34.911 32.500 0.043 0.000 1.137 153 K HN 0.648 nan 8.250 nan 0.000 0.424 154 L N -1.274 119.976 121.223 0.045 0.000 2.359 154 L HA 0.671 5.009 4.340 -0.002 0.000 0.256 154 L C -0.084 176.848 176.870 0.103 0.000 1.026 154 L CA -0.943 53.935 54.840 0.064 0.000 0.828 154 L CB 1.826 43.907 42.059 0.037 0.000 1.406 154 L HN 0.567 nan 8.230 nan 0.000 0.413 155 T N -1.431 113.208 114.554 0.141 0.000 2.912 155 T HA 0.732 5.080 4.350 -0.002 0.000 0.280 155 T C -0.759 173.994 174.700 0.089 0.000 0.989 155 T CA -0.443 61.762 62.100 0.175 0.000 0.995 155 T CB 1.355 70.389 68.868 0.276 0.000 1.077 155 T HN 0.925 nan 8.240 nan 0.000 0.531 156 Y N -1.721 118.538 120.300 -0.068 0.000 2.592 156 Y HA 0.651 5.200 4.550 -0.002 0.000 0.334 156 Y C -1.044 174.880 175.900 0.040 0.000 1.136 156 Y CA -1.179 56.765 58.100 -0.260 0.000 1.042 156 Y CB 0.955 39.304 38.460 -0.186 0.000 1.325 156 Y HN 1.017 nan 8.280 nan 0.000 0.457 157 T N 0.621 115.351 114.554 0.292 0.000 2.876 157 T HA 0.977 5.326 4.350 -0.002 0.000 0.289 157 T C -0.785 174.195 174.700 0.467 0.000 1.014 157 T CA -0.262 62.056 62.100 0.364 0.000 0.986 157 T CB 1.647 70.779 68.868 0.439 0.000 1.021 157 T HN 1.618 nan 8.240 nan 0.000 0.458 158 A N 1.894 124.973 122.820 0.432 0.000 2.515 158 A HA 0.781 5.100 4.320 -0.002 0.000 0.298 158 A C -1.079 176.713 177.584 0.347 0.000 1.059 158 A CA -0.962 51.288 52.037 0.355 0.000 0.698 158 A CB 1.527 20.768 19.000 0.402 0.000 1.289 158 A HN 0.857 nan 8.150 nan 0.000 0.404 159 E N 0.620 120.953 120.200 0.221 0.000 2.244 159 E HA 0.469 4.818 4.350 -0.002 0.000 0.260 159 E C -1.750 174.962 176.600 0.186 0.000 0.884 159 E CA -0.595 55.921 56.400 0.193 0.000 0.777 159 E CB 2.448 32.225 29.700 0.128 0.000 1.197 159 E HN 0.416 nan 8.360 nan 0.000 0.416 160 V N 2.591 122.666 119.914 0.268 0.000 2.483 160 V HA 0.383 4.502 4.120 -0.002 0.000 0.297 160 V C -0.822 175.407 176.094 0.225 0.000 1.027 160 V CA -0.374 62.062 62.300 0.228 0.000 0.855 160 V CB 1.916 33.889 31.823 0.250 0.000 0.995 160 V HN 0.620 nan 8.190 nan 0.000 0.424 161 S N 5.933 121.718 115.700 0.142 0.000 2.438 161 S HA 0.764 5.233 4.470 -0.002 0.000 0.293 161 S C -0.563 174.125 174.600 0.145 0.000 1.141 161 S CA -0.080 58.193 58.200 0.121 0.000 1.080 161 S CB 0.858 64.097 63.200 0.066 0.000 0.978 161 S HN 1.509 nan 8.310 nan 0.000 0.479 162 V N 2.609 122.638 119.914 0.192 0.000 3.141 162 V HA 0.769 4.888 4.120 -0.002 0.000 0.312 162 V C -3.047 173.166 176.094 0.198 0.000 1.157 162 V CA -2.997 59.434 62.300 0.218 0.000 1.041 162 V CB 1.073 33.058 31.823 0.270 0.000 1.071 162 V HN 0.569 nan 8.190 nan 0.000 0.441 163 P HA 0.105 nan 4.420 nan 0.000 0.261 163 P C 0.611 177.986 177.300 0.126 0.000 1.183 163 P CA 0.213 63.407 63.100 0.158 0.000 0.761 163 P CB 0.350 32.150 31.700 0.167 0.000 0.785 164 K N 4.623 125.077 120.400 0.090 0.000 2.362 164 K HA -0.207 4.112 4.320 -0.002 0.000 0.202 164 K C 1.071 177.711 176.600 0.067 0.000 1.045 164 K CA 1.412 57.743 56.287 0.074 0.000 0.936 164 K CB -0.245 32.280 32.500 0.042 0.000 0.747 164 K HN 0.448 nan 8.250 nan 0.000 0.467 165 E N 1.417 121.636 120.200 0.032 0.000 2.481 165 E HA 0.009 4.358 4.350 -0.002 0.000 0.195 165 E C 0.419 176.954 176.600 -0.107 0.000 1.047 165 E CA 0.101 56.479 56.400 -0.037 0.000 0.867 165 E CB -0.052 29.607 29.700 -0.069 0.000 0.858 165 E HN 0.381 nan 8.360 nan 0.000 0.513 166 L N 0.721 121.929 121.223 -0.024 0.000 2.313 166 L HA 0.495 4.834 4.340 -0.002 0.000 0.268 166 L C -0.254 176.653 176.870 0.062 0.000 1.010 166 L CA -1.368 53.449 54.840 -0.038 0.000 0.814 166 L CB 2.063 44.101 42.059 -0.036 0.000 1.304 166 L HN -0.233 nan 8.230 nan 0.000 0.441 167 V N 0.484 120.356 119.914 -0.071 0.000 2.581 167 V HA 0.756 4.874 4.120 -0.002 0.000 0.303 167 V C -0.053 175.770 176.094 -0.452 0.000 1.041 167 V CA -0.565 61.566 62.300 -0.281 0.000 0.907 167 V CB 1.632 33.341 31.823 -0.190 0.000 0.994 167 V HN 0.848 nan 8.190 nan 0.000 0.442 168 A N 5.173 127.488 122.820 -0.841 0.000 2.350 168 A HA 0.962 5.280 4.320 -0.002 0.000 0.324 168 A C -1.092 176.239 177.584 -0.421 0.000 1.118 168 A CA -0.533 51.219 52.037 -0.475 0.000 0.783 168 A CB 1.086 19.975 19.000 -0.184 0.000 1.236 168 A HN 0.768 nan 8.150 nan 0.000 0.457 169 L N 1.706 122.679 121.223 -0.417 0.000 2.434 169 L HA 0.671 5.009 4.340 -0.002 0.000 0.260 169 L C -0.422 176.094 176.870 -0.590 0.000 0.983 169 L CA -0.300 54.268 54.840 -0.452 0.000 0.820 169 L CB 2.374 44.087 42.059 -0.576 0.000 1.361 169 L HN 0.781 nan 8.230 nan 0.000 0.410 170 M N 0.131 119.299 119.600 -0.721 0.000 2.704 170 M HA 0.316 4.795 4.480 -0.002 0.000 0.284 170 M C -0.112 176.073 176.300 -0.192 0.000 1.275 170 M CA -0.715 54.266 55.300 -0.533 0.000 0.811 170 M CB 2.511 34.594 32.600 -0.861 0.000 1.741 170 M HN 0.551 nan 8.290 nan 0.000 0.458 171 S N 0.328 115.991 115.700 -0.062 0.000 4.069 171 S HA 0.657 5.126 4.470 -0.002 0.000 0.192 171 S C -0.374 174.247 174.600 0.035 0.000 1.441 171 S CA -0.371 57.812 58.200 -0.029 0.000 0.994 171 S CB -0.934 62.226 63.200 -0.067 0.000 1.456 171 S HN 0.699 nan 8.310 nan 0.000 0.458 172 A N 1.884 124.714 122.820 0.016 0.000 2.564 172 A HA 0.655 4.973 4.320 -0.002 0.000 0.291 172 A C -0.942 176.717 177.584 0.125 0.000 1.102 172 A CA -0.932 51.105 52.037 -0.001 0.000 0.660 172 A CB 0.537 19.477 19.000 -0.099 0.000 1.283 172 A HN 0.370 nan 8.150 nan 0.000 0.430 173 I N 1.365 122.000 120.570 0.109 0.000 2.496 173 I HA 0.213 4.382 4.170 -0.002 0.000 0.285 173 I C 0.889 177.102 176.117 0.160 0.000 1.080 173 I CA 0.058 61.437 61.300 0.131 0.000 1.404 173 I CB 0.507 38.558 38.000 0.084 0.000 1.403 173 I HN 0.632 nan 8.210 nan 0.000 0.539 174 R N 3.728 124.319 120.500 0.152 0.000 2.449 174 R HA -0.014 4.325 4.340 -0.002 0.000 0.296 174 R C -0.135 176.143 176.300 -0.036 0.000 1.047 174 R CA 0.174 56.301 56.100 0.045 0.000 1.018 174 R CB 0.255 30.612 30.300 0.095 0.000 0.962 174 R HN 0.474 nan 8.270 nan 0.000 0.428 175 D N 1.920 122.217 120.400 -0.171 0.000 2.772 175 D HA 0.203 4.841 4.640 -0.002 0.000 0.272 175 D C 0.054 176.282 176.300 -0.121 0.000 1.314 175 D CA 0.512 54.446 54.000 -0.110 0.000 0.835 175 D CB 0.337 41.083 40.800 -0.091 0.000 1.080 175 D HN 0.763 nan 8.370 nan 0.000 0.482 176 G N 1.042 109.780 108.800 -0.103 0.000 2.781 176 G HA2 -0.095 3.863 3.960 -0.002 0.000 0.683 176 G HA3 -0.095 3.863 3.960 -0.002 0.000 0.683 176 G C -0.554 174.268 174.900 -0.130 0.000 1.390 176 G CA -0.306 44.747 45.100 -0.078 0.000 0.850 176 G HN 0.418 nan 8.290 nan 0.000 0.557 177 E N -1.627 118.487 120.200 -0.144 0.000 2.393 177 E HA 0.861 5.210 4.350 -0.002 0.000 0.273 177 E C -0.216 176.248 176.600 -0.225 0.000 0.918 177 E CA -0.454 55.762 56.400 -0.306 0.000 0.773 177 E CB 2.479 31.861 29.700 -0.530 0.000 1.275 177 E HN 1.553 nan 8.360 nan 0.000 0.451 178 T N -2.040 112.364 114.554 -0.249 0.000 2.749 178 T HA 0.460 4.809 4.350 -0.002 0.000 0.310 178 T C -3.023 171.591 174.700 -0.143 0.000 1.496 178 T CA -1.862 60.147 62.100 -0.150 0.000 1.006 178 T CB 1.031 69.841 68.868 -0.095 0.000 1.457 178 T HN 0.249 nan 8.240 nan 0.000 0.497 179 P HA 0.252 nan 4.420 nan 0.000 0.271 179 P C -0.678 176.592 177.300 -0.050 0.000 1.216 179 P CA -0.129 62.932 63.100 -0.064 0.000 0.776 179 P CB 0.288 31.965 31.700 -0.039 0.000 0.881 180 D N 4.754 125.133 120.400 -0.035 0.000 2.398 180 D HA 0.029 4.668 4.640 -0.002 0.000 0.250 180 D C -1.440 174.854 176.300 -0.009 0.000 1.287 180 D CA -1.833 52.157 54.000 -0.017 0.000 0.992 180 D CB 0.151 40.951 40.800 0.000 0.000 1.071 180 D HN 0.121 nan 8.370 nan 0.000 0.514 181 P HA -0.191 nan 4.420 nan 0.000 0.217 181 P C 1.138 178.438 177.300 -0.001 0.000 1.151 181 P CA 1.005 64.102 63.100 -0.006 0.000 0.849 181 P CB 0.373 32.070 31.700 -0.005 0.000 0.787 182 E N 0.245 120.446 120.200 0.001 0.000 2.033 182 E HA -0.168 4.181 4.350 -0.002 0.000 0.199 182 E C -0.293 176.309 176.600 0.004 0.000 1.011 182 E CA 1.669 58.071 56.400 0.003 0.000 0.815 182 E CB -0.545 29.158 29.700 0.004 0.000 0.755 182 E HN 0.190 nan 8.360 nan 0.000 0.451 183 D N 0.466 120.870 120.400 0.006 0.000 2.478 183 D HA 0.219 4.858 4.640 -0.002 0.000 0.240 183 D C -2.550 173.757 176.300 0.012 0.000 1.364 183 D CA -1.249 52.756 54.000 0.009 0.000 0.987 183 D CB 1.865 42.672 40.800 0.011 0.000 1.328 183 D HN 0.040 nan 8.370 nan 0.000 0.584 184 P HA -0.075 nan 4.420 nan 0.000 0.000 184 P C 0.653 177.965 177.300 0.020 0.000 0.000 184 P CA 0.404 63.510 63.100 0.011 0.000 0.000 184 P CB 0.643 32.348 31.700 0.009 0.000 0.000 185 S N -3.694 112.020 115.700 0.023 0.000 2.105 185 S HA -0.193 4.275 4.470 -0.002 0.000 0.242 185 S C 0.267 174.894 174.600 0.045 0.000 1.128 185 S CA 0.849 59.070 58.200 0.034 0.000 1.482 185 S CB -1.812 61.411 63.200 0.038 0.000 1.865 185 S HN 0.698 nan 8.310 nan 0.000 0.577 186 R N 1.538 122.062 120.500 0.040 0.000 2.668 186 R HA 0.787 5.125 4.340 -0.002 0.000 0.279 186 R C -0.397 175.917 176.300 0.024 0.000 0.976 186 R CA -0.807 55.324 56.100 0.052 0.000 0.978 186 R CB 1.340 31.673 30.300 0.055 0.000 1.133 186 R HN 0.457 nan 8.270 nan 0.000 0.484 187 K N 1.758 122.173 120.400 0.025 0.000 2.385 187 K HA 0.433 4.752 4.320 -0.002 0.000 0.248 187 K C -1.447 175.107 176.600 -0.077 0.000 0.955 187 K CA -0.832 55.416 56.287 -0.067 0.000 0.816 187 K CB 1.847 34.279 32.500 -0.113 0.000 1.250 187 K HN 0.477 nan 8.250 nan 0.000 0.434 188 I N 2.775 123.241 120.570 -0.173 0.000 2.406 188 I HA 0.343 4.512 4.170 -0.002 0.000 0.290 188 I C -1.849 174.127 176.117 -0.235 0.000 0.999 188 I CA -0.374 60.868 61.300 -0.097 0.000 1.124 188 I CB 0.807 38.786 38.000 -0.036 0.000 1.289 188 I HN 0.532 nan 8.210 nan 0.000 0.441 189 Y N 6.392 126.698 120.300 0.010 0.000 2.341 189 Y HA 0.560 5.109 4.550 -0.002 0.000 0.337 189 Y C -0.099 175.633 175.900 -0.279 0.000 1.014 189 Y CA -0.441 57.585 58.100 -0.125 0.000 1.111 189 Y CB 1.558 40.034 38.460 0.026 0.000 1.194 189 Y HN 0.391 nan 8.280 nan 0.000 0.462 190 K N 3.477 123.626 120.400 -0.417 0.000 2.164 190 K HA 0.669 4.988 4.320 -0.002 0.000 0.258 190 K C -1.647 174.430 176.600 -0.872 0.000 0.951 190 K CA -0.649 55.402 56.287 -0.392 0.000 0.844 190 K CB 1.489 33.899 32.500 -0.150 0.000 1.099 190 K HN 0.398 nan 8.250 nan 0.000 0.435 191 F N 1.668 121.681 119.950 0.105 0.000 2.588 191 F HA 0.507 5.033 4.527 -0.002 0.000 0.310 191 F C -0.747 175.060 175.800 0.011 0.000 1.082 191 F CA -1.138 56.898 58.000 0.061 0.000 0.929 191 F CB 1.462 40.517 39.000 0.091 0.000 1.254 191 F HN 0.247 nan 8.300 nan 0.000 0.455 192 I N 2.546 123.176 120.570 0.100 0.000 2.534 192 I HA 0.500 4.668 4.170 -0.002 0.000 0.288 192 I C -1.450 174.578 176.117 -0.149 0.000 1.077 192 I CA -0.691 60.594 61.300 -0.024 0.000 1.051 192 I CB 1.772 39.778 38.000 0.009 0.000 1.234 192 I HN 0.587 nan 8.210 nan 0.000 0.425 193 Q N 6.323 125.922 119.800 -0.336 0.000 2.454 193 Q HA 0.443 4.782 4.340 -0.002 0.000 0.255 193 Q C -0.431 175.488 176.000 -0.135 0.000 1.034 193 Q CA -0.095 55.517 55.803 -0.318 0.000 0.736 193 Q CB 1.312 29.625 28.738 -0.708 0.000 1.210 193 Q HN 0.661 nan 8.270 nan 0.000 0.500 194 K N 1.585 121.945 120.400 -0.067 0.000 2.418 194 K HA 0.148 4.467 4.320 -0.002 0.000 0.195 194 K C -0.117 176.432 176.600 -0.085 0.000 1.035 194 K CA 0.231 56.483 56.287 -0.058 0.000 1.003 194 K CB 0.622 33.078 32.500 -0.074 0.000 0.793 194 K HN 0.311 nan 8.250 nan 0.000 0.494 195 V N 3.508 123.378 119.914 -0.074 0.000 2.439 195 V HA 0.159 4.278 4.120 -0.002 0.000 0.282 195 V C -2.381 173.733 176.094 0.033 0.000 1.039 195 V CA -2.341 59.885 62.300 -0.123 0.000 0.913 195 V CB 1.062 32.658 31.823 -0.378 0.000 0.983 195 V HN 0.000 nan 8.190 nan 0.000 0.460 196 P HA 0.336 nan 4.420 nan 0.000 0.271 196 P C -0.621 176.774 177.300 0.158 0.000 1.216 196 P CA 0.152 63.303 63.100 0.085 0.000 0.771 196 P CB 0.370 32.097 31.700 0.044 0.000 0.864 197 I N 0.243 120.892 120.570 0.132 0.000 2.865 197 I HA 0.701 4.870 4.170 -0.002 0.000 0.302 197 I C -2.829 173.279 176.117 -0.015 0.000 1.140 197 I CA -3.446 57.905 61.300 0.085 0.000 1.021 197 I CB 2.782 40.833 38.000 0.083 0.000 1.233 197 I HN 0.071 nan 8.210 nan 0.000 0.427 198 P HA 0.067 nan 4.420 nan 0.000 0.275 198 P C 0.885 178.079 177.300 -0.178 0.000 1.228 198 P CA -0.315 62.712 63.100 -0.121 0.000 0.786 198 P CB 1.272 32.896 31.700 -0.127 0.000 0.927 199 C N 1.263 120.528 119.300 -0.059 0.000 2.422 199 C HA -0.131 4.327 4.460 -0.002 0.000 0.286 199 C C 2.547 177.508 174.990 -0.048 0.000 1.412 199 C CA 0.398 59.372 59.018 -0.073 0.000 1.786 199 C CB -2.653 25.060 27.740 -0.045 0.000 1.835 199 C HN 0.642 nan 8.230 nan 0.000 0.533 200 Y N 0.692 121.009 120.300 0.029 0.000 2.574 200 Y HA 0.261 4.810 4.550 -0.002 0.000 0.294 200 Y C 1.786 177.666 175.900 -0.034 0.000 1.142 200 Y CA 0.538 58.658 58.100 0.034 0.000 1.314 200 Y CB -0.864 37.698 38.460 0.169 0.000 0.991 200 Y HN 0.275 nan 8.280 nan 0.000 0.555 201 L N 0.924 121.892 121.223 -0.425 0.000 2.592 201 L HA 0.223 4.561 4.340 -0.002 0.000 0.227 201 L C 0.330 177.065 176.870 -0.226 0.000 1.127 201 L CA -0.109 54.508 54.840 -0.371 0.000 0.884 201 L CB -0.028 41.742 42.059 -0.482 0.000 1.065 201 L HN 0.174 nan 8.230 nan 0.000 0.457 202 I N 1.091 121.535 120.570 -0.210 0.000 2.471 202 I HA 0.234 4.403 4.170 -0.002 0.000 0.286 202 I C 0.390 176.376 176.117 -0.217 0.000 1.079 202 I CA 0.071 61.208 61.300 -0.272 0.000 1.398 202 I CB 0.860 38.634 38.000 -0.377 0.000 1.403 202 I HN 0.033 nan 8.210 nan 0.000 0.530 203 A N 7.154 129.852 122.820 -0.204 0.000 2.539 203 A HA 0.893 5.212 4.320 -0.002 0.000 0.296 203 A C -1.549 175.974 177.584 -0.101 0.000 1.073 203 A CA -0.498 51.441 52.037 -0.163 0.000 0.700 203 A CB 2.040 20.826 19.000 -0.357 0.000 1.296 203 A HN 0.573 nan 8.150 nan 0.000 0.405 204 L N 1.307 122.531 121.223 0.001 0.000 2.482 204 L HA 0.839 5.178 4.340 -0.002 0.000 0.263 204 L C -1.649 175.223 176.870 0.002 0.000 0.957 204 L CA -0.523 54.271 54.840 -0.078 0.000 0.836 204 L CB 2.056 44.026 42.059 -0.149 0.000 1.324 204 L HN 1.172 nan 8.230 nan 0.000 0.406 205 V N 5.353 125.189 119.914 -0.130 0.000 2.760 205 V HA 0.865 4.984 4.120 -0.002 0.000 0.309 205 V C -1.709 174.198 176.094 -0.312 0.000 1.077 205 V CA -0.297 61.878 62.300 -0.208 0.000 0.910 205 V CB 2.364 33.985 31.823 -0.337 0.000 1.008 205 V HN 0.629 nan 8.190 nan 0.000 0.424 206 V N 6.077 125.790 119.914 -0.336 0.000 2.577 206 V HA 1.035 5.154 4.120 -0.002 0.000 0.303 206 V C 0.418 176.315 176.094 -0.328 0.000 1.042 206 V CA 0.492 62.656 62.300 -0.226 0.000 0.872 206 V CB 1.119 32.945 31.823 0.005 0.000 0.998 206 V HN 1.396 nan 8.190 nan 0.000 0.423 207 G N 2.787 111.384 108.800 -0.339 0.000 2.342 207 G HA2 0.592 4.551 3.960 -0.002 0.000 0.297 207 G HA3 0.592 4.551 3.960 -0.002 0.000 0.297 207 G C -0.930 173.875 174.900 -0.159 0.000 1.313 207 G CA -0.092 44.814 45.100 -0.324 0.000 0.830 207 G HN 1.069 nan 8.290 nan 0.000 0.506 208 A N 0.468 123.260 122.820 -0.047 0.000 2.990 208 A HA 0.618 4.936 4.320 -0.002 0.000 0.282 208 A C 0.229 177.861 177.584 0.081 0.000 1.688 208 A CA 0.029 52.053 52.037 -0.022 0.000 1.391 208 A CB -1.065 17.957 19.000 0.037 0.000 1.112 208 A HN 0.539 nan 8.150 nan 0.000 0.588 209 L N 1.186 122.456 121.223 0.079 0.000 2.343 209 L HA 0.544 4.883 4.340 -0.002 0.000 0.275 209 L C 0.409 177.436 176.870 0.262 0.000 1.056 209 L CA -0.351 54.607 54.840 0.195 0.000 0.804 209 L CB 1.442 43.621 42.059 0.201 0.000 1.203 209 L HN 0.573 nan 8.230 nan 0.000 0.440 210 E N 0.604 120.949 120.200 0.242 0.000 2.369 210 E HA 0.560 4.909 4.350 -0.002 0.000 0.270 210 E C -1.270 175.284 176.600 -0.075 0.000 0.909 210 E CA -0.598 55.862 56.400 0.099 0.000 0.775 210 E CB 2.620 32.348 29.700 0.047 0.000 1.270 210 E HN 0.661 nan 8.360 nan 0.000 0.445 211 S N 1.282 116.741 115.700 -0.403 0.000 2.634 211 S HA 0.815 5.284 4.470 -0.002 0.000 0.296 211 S C -0.817 173.534 174.600 -0.416 0.000 1.104 211 S CA -0.955 56.783 58.200 -0.770 0.000 0.920 211 S CB 2.435 64.569 63.200 -1.777 0.000 1.111 211 S HN 0.421 nan 8.310 nan 0.000 0.493 212 R N 0.655 120.941 120.500 -0.356 0.000 2.522 212 R HA 0.364 4.703 4.340 -0.002 0.000 0.283 212 R C -1.460 174.745 176.300 -0.159 0.000 1.074 212 R CA -0.282 55.708 56.100 -0.182 0.000 0.925 212 R CB 1.789 32.035 30.300 -0.090 0.000 1.205 212 R HN 0.878 nan 8.270 nan 0.000 0.436 213 Q N 4.441 124.176 119.800 -0.108 0.000 2.288 213 Q HA 0.295 4.634 4.340 -0.002 0.000 0.258 213 Q C 0.336 176.331 176.000 -0.010 0.000 0.957 213 Q CA -0.036 55.734 55.803 -0.056 0.000 0.919 213 Q CB 0.727 29.446 28.738 -0.032 0.000 1.185 213 Q HN 0.797 nan 8.270 nan 0.000 0.408 214 I N 0.214 120.797 120.570 0.022 0.000 4.240 214 I HA 0.585 4.754 4.170 -0.002 0.000 0.331 214 I C 0.330 176.480 176.117 0.055 0.000 1.381 214 I CA -0.440 60.886 61.300 0.044 0.000 1.136 214 I CB 1.029 39.072 38.000 0.072 0.000 1.137 214 I HN 0.494 nan 8.210 nan 0.000 0.411 215 G N 1.383 110.217 108.800 0.057 0.000 2.623 215 G HA2 0.412 4.371 3.960 -0.002 0.000 0.290 215 G HA3 0.412 4.371 3.960 -0.002 0.000 0.290 215 G C -2.740 172.196 174.900 0.061 0.000 1.437 215 G CA -0.585 44.551 45.100 0.060 0.000 0.798 215 G HN -0.241 nan 8.290 nan 0.000 0.488 216 P HA -0.051 nan 4.420 nan 0.000 0.222 216 P C 0.795 178.145 177.300 0.083 0.000 1.147 216 P CA 0.842 63.979 63.100 0.062 0.000 0.790 216 P CB 0.221 31.955 31.700 0.056 0.000 0.780 217 R N -2.084 118.475 120.500 0.098 0.000 2.616 217 R HA 0.385 4.724 4.340 -0.002 0.000 0.427 217 R C -0.592 175.804 176.300 0.160 0.000 1.030 217 R CA -0.334 55.847 56.100 0.134 0.000 1.133 217 R CB -0.161 30.227 30.300 0.147 0.000 1.444 217 R HN -0.198 nan 8.270 nan 0.000 0.578 218 T N 1.782 116.418 114.554 0.136 0.000 2.937 218 T HA 0.440 4.789 4.350 -0.002 0.000 0.297 218 T C -0.827 173.933 174.700 0.100 0.000 0.991 218 T CA -0.504 61.686 62.100 0.150 0.000 0.990 218 T CB 1.951 70.926 68.868 0.178 0.000 0.991 218 T HN 0.088 nan 8.240 nan 0.000 0.440 219 L N 2.870 124.153 121.223 0.101 0.000 2.342 219 L HA 0.743 5.082 4.340 -0.002 0.000 0.271 219 L C -0.517 176.337 176.870 -0.028 0.000 1.008 219 L CA -1.293 53.521 54.840 -0.043 0.000 0.818 219 L CB 2.081 44.055 42.059 -0.142 0.000 1.296 219 L HN 0.354 nan 8.230 nan 0.000 0.427 220 V N 0.451 120.286 119.914 -0.132 0.000 2.435 220 V HA 0.386 4.505 4.120 -0.002 0.000 0.290 220 V C -1.009 174.997 176.094 -0.146 0.000 1.030 220 V CA -0.578 61.727 62.300 0.008 0.000 0.881 220 V CB 1.298 33.183 31.823 0.103 0.000 0.983 220 V HN 0.591 nan 8.190 nan 0.000 0.445 221 W N 2.703 124.019 121.300 0.027 0.000 2.689 221 W HA 0.798 5.457 4.660 -0.002 0.000 0.340 221 W C 0.274 176.797 176.519 0.008 0.000 1.060 221 W CA -0.195 57.154 57.345 0.007 0.000 1.218 221 W CB 2.011 31.451 29.460 -0.034 0.000 1.410 221 W HN 0.790 nan 8.180 nan 0.000 0.528 222 S N -0.609 115.248 115.700 0.262 0.000 2.663 222 S HA 0.307 4.776 4.470 -0.002 0.000 0.264 222 S C -1.093 173.613 174.600 0.178 0.000 1.112 222 S CA -1.305 57.004 58.200 0.182 0.000 0.823 222 S CB 1.030 64.308 63.200 0.130 0.000 1.111 222 S HN 0.495 nan 8.310 nan 0.000 0.476 223 E N 0.840 121.135 120.200 0.159 0.000 2.392 223 E HA 0.223 4.572 4.350 -0.002 0.000 0.259 223 E C 0.697 177.358 176.600 0.102 0.000 1.108 223 E CA -0.452 56.037 56.400 0.147 0.000 0.916 223 E CB 0.498 30.278 29.700 0.134 0.000 0.989 223 E HN 0.563 nan 8.360 nan 0.000 0.432 224 K N 1.490 121.944 120.400 0.091 0.000 2.089 224 K HA -0.258 4.060 4.320 -0.002 0.000 0.210 224 K C 1.645 178.275 176.600 0.049 0.000 1.048 224 K CA 1.691 58.016 56.287 0.063 0.000 0.926 224 K CB -0.092 32.444 32.500 0.060 0.000 0.714 224 K HN 0.348 nan 8.250 nan 0.000 0.448 225 E N 0.625 120.855 120.200 0.050 0.000 2.267 225 E HA -0.176 4.173 4.350 -0.002 0.000 0.197 225 E C 1.410 178.028 176.600 0.031 0.000 0.998 225 E CA 1.127 57.548 56.400 0.035 0.000 0.830 225 E CB 0.078 29.799 29.700 0.034 0.000 0.751 225 E HN 0.252 nan 8.360 nan 0.000 0.491 226 Q N -1.412 118.412 119.800 0.041 0.000 2.246 226 Q HA 0.167 4.506 4.340 -0.002 0.000 0.222 226 Q C 1.674 177.701 176.000 0.045 0.000 0.851 226 Q CA -0.046 55.782 55.803 0.041 0.000 0.945 226 Q CB 0.658 29.428 28.738 0.053 0.000 1.122 226 Q HN 0.063 nan 8.270 nan 0.000 0.508 227 V N 1.096 121.036 119.914 0.043 0.000 2.231 227 V HA -0.314 3.805 4.120 -0.002 0.000 0.248 227 V C 2.007 178.117 176.094 0.026 0.000 1.054 227 V CA 2.066 64.387 62.300 0.034 0.000 1.015 227 V CB -0.290 31.541 31.823 0.014 0.000 0.638 227 V HN 0.376 nan 8.190 nan 0.000 0.444 228 E N 0.132 120.343 120.200 0.018 0.000 2.038 228 E HA -0.240 4.109 4.350 -0.002 0.000 0.195 228 E C 2.268 178.886 176.600 0.029 0.000 1.000 228 E CA 1.468 57.879 56.400 0.018 0.000 0.803 228 E CB -0.359 29.343 29.700 0.003 0.000 0.750 228 E HN 0.579 nan 8.360 nan 0.000 0.448 229 K N 0.457 120.862 120.400 0.008 0.000 2.063 229 K HA -0.066 4.253 4.320 -0.002 0.000 0.208 229 K C 2.394 178.971 176.600 -0.038 0.000 1.048 229 K CA 1.355 57.642 56.287 -0.001 0.000 0.928 229 K CB -0.082 32.406 32.500 -0.021 0.000 0.713 229 K HN -0.039 nan 8.250 nan 0.000 0.442 230 S N 0.904 116.577 115.700 -0.045 0.000 2.355 230 S HA -0.139 4.330 4.470 -0.002 0.000 0.222 230 S C 2.149 176.705 174.600 -0.073 0.000 1.031 230 S CA 1.183 59.317 58.200 -0.109 0.000 0.993 230 S CB -0.235 63.050 63.200 0.142 0.000 0.859 230 S HN 0.430 nan 8.310 nan 0.000 0.453 231 A N 0.693 123.533 122.820 0.032 0.000 1.908 231 A HA -0.163 4.155 4.320 -0.002 0.000 0.218 231 A C 1.980 179.582 177.584 0.030 0.000 1.181 231 A CA 1.778 53.848 52.037 0.054 0.000 0.627 231 A CB -0.941 18.087 19.000 0.047 0.000 0.818 231 A HN 0.596 nan 8.150 nan 0.000 0.445 232 Y N 0.314 120.562 120.300 -0.086 0.000 2.133 232 Y HA -0.145 4.404 4.550 -0.002 0.000 0.287 232 Y C 2.342 178.159 175.900 -0.138 0.000 1.134 232 Y CA 2.267 60.317 58.100 -0.085 0.000 1.133 232 Y CB -0.449 37.961 38.460 -0.084 0.000 0.987 232 Y HN 0.381 nan 8.280 nan 0.000 0.502 233 E N -0.147 119.878 120.200 -0.291 0.000 2.130 233 E HA -0.194 4.155 4.350 -0.002 0.000 0.196 233 E C 0.866 177.186 176.600 -0.468 0.000 0.998 233 E CA 1.700 57.780 56.400 -0.533 0.000 0.806 233 E CB -0.381 28.776 29.700 -0.906 0.000 0.738 233 E HN 0.468 nan 8.360 nan 0.000 0.459 234 F N -0.164 119.786 119.950 0.001 0.000 2.750 234 F HA 0.251 4.777 4.527 -0.002 0.000 0.297 234 F C 1.789 177.595 175.800 0.009 0.000 1.138 234 F CA 0.161 58.181 58.000 0.033 0.000 1.346 234 F CB -0.455 38.593 39.000 0.081 0.000 0.965 234 F HN -0.013 nan 8.300 nan 0.000 0.514 235 S N -0.295 115.426 115.700 0.035 0.000 2.400 235 S HA -0.226 4.243 4.470 -0.002 0.000 0.232 235 S C 1.426 176.054 174.600 0.047 0.000 1.025 235 S CA 1.319 59.524 58.200 0.009 0.000 0.993 235 S CB -0.475 62.660 63.200 -0.107 0.000 0.808 235 S HN 0.543 nan 8.310 nan 0.000 0.478 236 E N 0.950 121.190 120.200 0.068 0.000 2.516 236 E HA 0.023 4.372 4.350 -0.002 0.000 0.199 236 E C 1.470 178.117 176.600 0.080 0.000 1.069 236 E CA 0.643 57.086 56.400 0.072 0.000 0.876 236 E CB -0.364 29.400 29.700 0.106 0.000 0.843 236 E HN 0.587 nan 8.360 nan 0.000 0.530 237 T N 1.212 115.834 114.554 0.113 0.000 2.607 237 T HA -0.250 4.098 4.350 -0.002 0.000 0.267 237 T C 1.794 176.509 174.700 0.025 0.000 1.049 237 T CA 1.733 63.890 62.100 0.095 0.000 1.162 237 T CB -0.185 68.785 68.868 0.171 0.000 0.863 237 T HN 0.176 nan 8.240 nan 0.000 0.424 238 E N 1.502 121.723 120.200 0.035 0.000 2.085 238 E HA -0.146 4.203 4.350 -0.002 0.000 0.194 238 E C 2.371 178.962 176.600 -0.014 0.000 0.994 238 E CA 1.801 58.203 56.400 0.004 0.000 0.801 238 E CB -0.501 29.212 29.700 0.023 0.000 0.743 238 E HN 0.578 nan 8.360 nan 0.000 0.453 239 S N -0.482 115.214 115.700 -0.007 0.000 2.382 239 S HA -0.201 4.268 4.470 -0.002 0.000 0.228 239 S C 2.140 176.717 174.600 -0.038 0.000 1.027 239 S CA 1.514 59.699 58.200 -0.024 0.000 0.991 239 S CB -0.405 62.776 63.200 -0.032 0.000 0.823 239 S HN 0.308 nan 8.310 nan 0.000 0.469 240 M N 0.697 120.278 119.600 -0.031 0.000 2.175 240 M HA 0.103 4.582 4.480 -0.002 0.000 0.264 240 M C 2.248 178.511 176.300 -0.062 0.000 1.063 240 M CA 1.196 56.474 55.300 -0.037 0.000 1.119 240 M CB -0.548 32.049 32.600 -0.006 0.000 1.377 240 M HN 0.301 nan 8.290 nan 0.000 0.415 241 L N 0.060 121.229 121.223 -0.091 0.000 2.083 241 L HA -0.223 4.116 4.340 -0.002 0.000 0.209 241 L C 2.402 179.259 176.870 -0.022 0.000 1.083 241 L CA 1.357 56.138 54.840 -0.099 0.000 0.752 241 L CB -0.448 41.484 42.059 -0.212 0.000 0.899 241 L HN 0.267 nan 8.230 nan 0.000 0.433 242 K N -0.032 120.352 120.400 -0.026 0.000 2.097 242 K HA -0.123 4.196 4.320 -0.002 0.000 0.205 242 K C 2.020 178.601 176.600 -0.032 0.000 1.050 242 K CA 1.194 57.477 56.287 -0.007 0.000 0.938 242 K CB -0.119 32.377 32.500 -0.008 0.000 0.718 242 K HN 0.282 nan 8.250 nan 0.000 0.442 243 I N 0.972 121.509 120.570 -0.056 0.000 2.286 243 I HA -0.226 3.942 4.170 -0.002 0.000 0.245 243 I C 2.502 178.534 176.117 -0.141 0.000 1.104 243 I CA 0.915 62.168 61.300 -0.078 0.000 1.397 243 I CB -0.343 37.616 38.000 -0.068 0.000 1.072 243 I HN 0.106 nan 8.210 nan 0.000 0.417 244 A N 0.385 123.098 122.820 -0.178 0.000 1.933 244 A HA -0.230 4.089 4.320 -0.002 0.000 0.218 244 A C 2.207 179.403 177.584 -0.647 0.000 1.175 244 A CA 1.681 53.467 52.037 -0.419 0.000 0.628 244 A CB -0.563 18.227 19.000 -0.350 0.000 0.814 244 A HN 0.446 nan 8.150 nan 0.000 0.444 245 E N -0.820 119.237 120.200 -0.238 0.000 2.150 245 E HA -0.201 4.148 4.350 -0.002 0.000 0.193 245 E C 1.617 178.158 176.600 -0.098 0.000 0.985 245 E CA 1.121 57.503 56.400 -0.030 0.000 0.814 245 E CB -0.133 29.680 29.700 0.187 0.000 0.752 245 E HN 0.723 nan 8.360 nan 0.000 0.466 246 D N 0.320 120.654 120.400 -0.111 0.000 2.149 246 D HA -0.099 4.540 4.640 -0.002 0.000 0.201 246 D C 1.831 178.049 176.300 -0.135 0.000 0.972 246 D CA 0.792 54.741 54.000 -0.086 0.000 0.835 246 D CB 0.137 40.899 40.800 -0.065 0.000 0.966 246 D HN 0.078 nan 8.370 nan 0.000 0.476 247 L N -1.020 120.069 121.223 -0.223 0.000 2.127 247 L HA 0.220 4.559 4.340 -0.002 0.000 0.203 247 L C 2.298 178.990 176.870 -0.297 0.000 1.080 247 L CA 1.157 55.857 54.840 -0.233 0.000 0.768 247 L CB -0.158 41.760 42.059 -0.235 0.000 0.924 247 L HN 0.139 nan 8.230 nan 0.000 0.444 248 G N -1.088 107.372 108.800 -0.568 0.000 3.159 248 G HA2 0.468 4.427 3.960 -0.002 0.000 0.232 248 G HA3 0.468 4.427 3.960 -0.002 0.000 0.232 248 G C 0.614 175.372 174.900 -0.238 0.000 1.116 248 G CA 0.439 45.167 45.100 -0.620 0.000 0.767 248 G HN 0.501 nan 8.290 nan 0.000 0.547 249 G N 0.320 109.068 108.800 -0.087 0.000 2.655 249 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.680 249 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.680 249 G C -2.825 172.317 174.900 0.403 0.000 1.302 249 G CA -0.543 44.646 45.100 0.148 0.000 0.872 249 G HN 0.238 nan 8.290 nan 0.000 0.540 250 P HA 0.123 nan 4.420 nan 0.000 0.265 250 P C -0.690 176.873 177.300 0.439 0.000 1.187 250 P CA 0.371 63.674 63.100 0.339 0.000 0.766 250 P CB 0.343 32.141 31.700 0.163 0.000 0.820 251 Y N 4.075 124.559 120.300 0.307 0.000 2.393 251 Y HA 0.184 4.733 4.550 -0.002 0.000 0.338 251 Y C 1.224 177.099 175.900 -0.042 0.000 1.029 251 Y CA -0.083 58.065 58.100 0.080 0.000 1.239 251 Y CB 0.537 39.115 38.460 0.196 0.000 1.170 251 Y HN 0.207 nan 8.280 nan 0.000 0.515 252 V N 2.753 122.266 119.914 -0.668 0.000 3.660 252 V HA 0.043 4.162 4.120 -0.002 0.000 0.276 252 V C 0.771 176.409 176.094 -0.759 0.000 1.317 252 V CA 0.109 62.022 62.300 -0.646 0.000 1.097 252 V CB -0.726 30.693 31.823 -0.673 0.000 0.863 252 V HN 0.841 nan 8.190 nan 0.000 0.438 253 W N 1.560 122.382 121.300 -0.796 0.000 2.905 253 W HA 0.591 5.250 4.660 -0.002 0.000 0.251 253 W C 1.990 178.423 176.519 -0.143 0.000 1.305 253 W CA 1.155 58.214 57.345 -0.477 0.000 1.465 253 W CB -0.183 28.948 29.460 -0.548 0.000 1.122 253 W HN 0.522 nan 8.180 nan 0.000 0.659 254 G N 0.122 109.026 108.800 0.173 0.000 5.259 254 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.288 254 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.288 254 G C 0.152 175.319 174.900 0.445 0.000 1.534 254 G CA 0.235 45.503 45.100 0.281 0.000 1.031 254 G HN 0.206 nan 8.290 nan 0.000 0.724 255 Q N -0.008 120.026 119.800 0.390 0.000 2.222 255 Q HA 0.715 5.053 4.340 -0.002 0.000 0.252 255 Q C -1.281 174.984 176.000 0.440 0.000 0.926 255 Q CA -0.741 55.269 55.803 0.346 0.000 0.899 255 Q CB 1.157 30.037 28.738 0.237 0.000 1.250 255 Q HN 0.698 nan 8.270 nan 0.000 0.441 256 Y N 2.874 123.298 120.300 0.206 0.000 2.705 256 Y HA 0.373 4.921 4.550 -0.002 0.000 0.355 256 Y C -1.372 174.602 175.900 0.122 0.000 1.039 256 Y CA -0.791 57.389 58.100 0.134 0.000 1.233 256 Y CB 0.600 39.008 38.460 -0.087 0.000 1.103 256 Y HN 0.663 nan 8.280 nan 0.000 0.624 257 D N 3.371 123.681 120.400 -0.149 0.000 2.388 257 D HA 0.519 5.158 4.640 -0.002 0.000 0.254 257 D C -0.758 175.431 176.300 -0.186 0.000 1.111 257 D CA -0.070 53.927 54.000 -0.005 0.000 0.993 257 D CB 1.755 42.689 40.800 0.223 0.000 1.118 257 D HN 0.485 nan 8.370 nan 0.000 0.502 258 L N 0.997 122.239 121.223 0.031 0.000 2.386 258 L HA 0.470 4.809 4.340 -0.002 0.000 0.271 258 L C -1.148 175.791 176.870 0.115 0.000 0.993 258 L CA -1.065 53.766 54.840 -0.015 0.000 0.819 258 L CB 1.993 44.033 42.059 -0.032 0.000 1.294 258 L HN 0.089 nan 8.230 nan 0.000 0.414 259 L N 3.824 125.044 121.223 -0.006 0.000 2.349 259 L HA 0.540 4.879 4.340 -0.002 0.000 0.278 259 L C -0.892 175.882 176.870 -0.160 0.000 0.996 259 L CA -0.313 54.481 54.840 -0.077 0.000 0.825 259 L CB 1.858 43.700 42.059 -0.363 0.000 1.243 259 L HN 0.252 nan 8.230 nan 0.000 0.412 260 V N 6.718 126.610 119.914 -0.038 0.000 2.334 260 V HA 0.325 4.444 4.120 -0.002 0.000 0.267 260 V C 0.562 176.581 176.094 -0.126 0.000 1.040 260 V CA -0.360 61.920 62.300 -0.032 0.000 0.866 260 V CB 0.712 32.617 31.823 0.137 0.000 1.019 260 V HN 0.676 nan 8.190 nan 0.000 0.468 261 L N 7.048 128.091 121.223 -0.300 0.000 2.490 261 L HA 0.432 4.771 4.340 -0.002 0.000 0.245 261 L C -1.981 174.721 176.870 -0.280 0.000 1.185 261 L CA -1.534 53.070 54.840 -0.392 0.000 0.813 261 L CB 0.339 41.935 42.059 -0.772 0.000 1.233 261 L HN 0.401 nan 8.230 nan 0.000 0.489 262 P HA 0.108 nan 4.420 nan 0.000 0.272 262 P C -2.193 175.070 177.300 -0.062 0.000 1.240 262 P CA -1.051 61.919 63.100 -0.217 0.000 0.791 262 P CB 0.005 31.558 31.700 -0.246 0.000 0.978 263 P HA -0.186 nan 4.420 nan 0.000 0.218 263 P C 1.112 178.466 177.300 0.090 0.000 1.146 263 P CA 1.688 64.823 63.100 0.058 0.000 0.813 263 P CB -0.364 31.372 31.700 0.060 0.000 0.778 264 S N -2.228 113.550 115.700 0.131 0.000 2.607 264 S HA -0.037 4.432 4.470 -0.002 0.000 0.224 264 S C 0.514 175.225 174.600 0.185 0.000 0.969 264 S CA -0.441 57.867 58.200 0.180 0.000 0.927 264 S CB -1.358 62.002 63.200 0.267 0.000 0.772 264 S HN -0.028 nan 8.310 nan 0.000 0.533 265 F N 5.081 124.991 119.950 -0.066 0.000 2.602 265 F HA 0.234 4.760 4.527 -0.002 0.000 0.385 265 F C -1.270 174.410 175.800 -0.200 0.000 1.063 265 F CA -2.470 55.406 58.000 -0.207 0.000 1.233 265 F CB 0.717 39.512 39.000 -0.340 0.000 1.067 265 F HN 0.016 nan 8.300 nan 0.000 0.564 266 P HA -0.135 nan 4.420 nan 0.000 0.226 266 P C -0.690 175.863 177.300 -1.244 0.000 1.153 266 P CA 1.505 63.951 63.100 -1.090 0.000 0.777 266 P CB 0.078 31.018 31.700 -1.266 0.000 0.794 267 Y N -1.750 118.018 120.300 -0.887 0.000 2.659 267 Y HA 0.567 5.116 4.550 -0.002 0.000 0.333 267 Y C 2.188 178.059 175.900 -0.048 0.000 1.064 267 Y CA -0.517 57.351 58.100 -0.387 0.000 1.141 267 Y CB 0.113 38.404 38.460 -0.281 0.000 1.316 267 Y HN -0.333 nan 8.280 nan 0.000 0.509 268 G N -0.428 108.461 108.800 0.148 0.000 2.432 268 G HA2 0.321 4.280 3.960 -0.002 0.000 0.219 268 G HA3 0.321 4.280 3.960 -0.002 0.000 0.219 268 G C 0.389 175.457 174.900 0.280 0.000 1.135 268 G CA 0.959 46.134 45.100 0.125 0.000 0.767 268 G HN 0.983 nan 8.290 nan 0.000 0.550 269 G N -1.930 107.117 108.800 0.411 0.000 2.495 269 G HA2 0.504 4.463 3.960 -0.002 0.000 0.294 269 G HA3 0.504 4.463 3.960 -0.002 0.000 0.294 269 G C -1.923 173.240 174.900 0.439 0.000 1.397 269 G CA -0.534 44.805 45.100 0.398 0.000 0.790 269 G HN 0.391 nan 8.290 nan 0.000 0.486 270 M N 1.426 121.194 119.600 0.280 0.000 2.206 270 M HA 0.349 4.828 4.480 -0.002 0.000 0.272 270 M C 0.107 176.404 176.300 -0.005 0.000 1.012 270 M CA -0.999 54.381 55.300 0.133 0.000 0.986 270 M CB 1.814 34.487 32.600 0.122 0.000 1.740 270 M HN 0.590 nan 8.290 nan 0.000 0.472 271 E N 2.400 122.608 120.200 0.013 0.000 2.780 271 E HA -0.018 4.331 4.350 -0.002 0.000 0.234 271 E C -1.063 175.429 176.600 -0.180 0.000 1.425 271 E CA 0.140 56.533 56.400 -0.011 0.000 1.481 271 E CB -1.163 28.554 29.700 0.029 0.000 1.357 271 E HN 0.813 nan 8.360 nan 0.000 0.431 272 N N 3.671 122.200 118.700 -0.285 0.000 2.447 272 N HA 0.033 4.772 4.740 -0.002 0.000 0.263 272 N C -2.340 172.972 175.510 -0.329 0.000 1.226 272 N CA -0.912 51.917 53.050 -0.368 0.000 0.906 272 N CB 0.423 38.568 38.487 -0.569 0.000 1.060 272 N HN 0.232 nan 8.380 nan 0.000 0.468 273 P HA -0.113 nan 4.420 nan 0.000 0.262 273 P C 0.091 177.252 177.300 -0.232 0.000 1.182 273 P CA 0.107 62.901 63.100 -0.510 0.000 0.761 273 P CB 0.463 31.750 31.700 -0.689 0.000 0.795 274 C N 0.925 120.137 119.300 -0.145 0.000 5.467 274 C HA -0.198 4.261 4.460 -0.002 0.000 0.269 274 C C 0.485 175.424 174.990 -0.086 0.000 1.868 274 C CA 0.746 59.768 59.018 0.006 0.000 1.676 274 C CB -2.435 25.344 27.740 0.066 0.000 2.513 274 C HN 0.673 nan 8.230 nan 0.000 0.533 275 L N 1.105 122.229 121.223 -0.165 0.000 2.490 275 L HA 0.446 4.785 4.340 -0.002 0.000 0.261 275 L C 0.065 176.876 176.870 -0.097 0.000 1.232 275 L CA 0.416 55.183 54.840 -0.122 0.000 0.892 275 L CB 0.600 42.650 42.059 -0.015 0.000 1.085 275 L HN 0.169 nan 8.230 nan 0.000 0.491 276 T N 3.396 117.803 114.554 -0.245 0.000 2.916 276 T HA 0.332 4.681 4.350 -0.002 0.000 0.303 276 T C -0.285 174.484 174.700 0.115 0.000 1.025 276 T CA 0.657 62.696 62.100 -0.102 0.000 1.142 276 T CB 0.017 68.822 68.868 -0.106 0.000 0.947 276 T HN 0.145 nan 8.240 nan 0.000 0.544 277 F N 3.155 122.970 119.950 -0.224 0.000 2.421 277 F HA 0.583 5.109 4.527 -0.002 0.000 0.337 277 F C 0.419 175.998 175.800 -0.368 0.000 1.105 277 F CA -1.531 56.231 58.000 -0.396 0.000 1.049 277 F CB 1.183 39.809 39.000 -0.624 0.000 1.139 277 F HN 0.279 nan 8.300 nan 0.000 0.479 278 V N -0.619 119.153 119.914 -0.235 0.000 3.007 278 V HA 0.649 4.768 4.120 -0.002 0.000 0.311 278 V C -0.285 175.741 176.094 -0.113 0.000 1.120 278 V CA -0.876 61.350 62.300 -0.122 0.000 0.980 278 V CB 1.307 33.041 31.823 -0.147 0.000 1.033 278 V HN 0.743 nan 8.190 nan 0.000 0.429 279 T N 3.120 117.733 114.554 0.099 0.000 2.918 279 T HA 0.397 4.746 4.350 -0.002 0.000 0.302 279 T C -1.243 173.539 174.700 0.136 0.000 1.045 279 T CA -0.835 61.356 62.100 0.153 0.000 1.114 279 T CB 1.220 70.203 68.868 0.193 0.000 0.965 279 T HN 0.837 nan 8.240 nan 0.000 0.540 280 P HA 0.033 nan 4.420 nan 0.000 0.241 280 P C 1.235 178.626 177.300 0.152 0.000 1.191 280 P CA 0.573 63.750 63.100 0.128 0.000 0.771 280 P CB -0.337 31.406 31.700 0.070 0.000 0.929 281 T N -2.975 111.682 114.554 0.172 0.000 3.113 281 T HA 0.008 4.357 4.350 -0.002 0.000 0.263 281 T C 1.679 176.511 174.700 0.220 0.000 1.143 281 T CA 0.432 62.656 62.100 0.207 0.000 1.090 281 T CB -1.054 68.012 68.868 0.330 0.000 0.922 281 T HN 0.079 nan 8.240 nan 0.000 0.521 282 L N 0.075 121.443 121.223 0.243 0.000 2.552 282 L HA 0.283 4.622 4.340 -0.002 0.000 0.227 282 L C 0.954 177.949 176.870 0.209 0.000 1.146 282 L CA 0.282 55.291 54.840 0.282 0.000 0.858 282 L CB -0.446 41.871 42.059 0.430 0.000 0.969 282 L HN 0.301 nan 8.230 nan 0.000 0.451 283 L N 0.880 122.188 121.223 0.141 0.000 2.391 283 L HA 0.130 4.469 4.340 -0.002 0.000 0.249 283 L C 1.618 178.511 176.870 0.038 0.000 1.308 283 L CA -0.405 54.456 54.840 0.034 0.000 1.209 283 L CB 0.024 42.097 42.059 0.023 0.000 1.401 283 L HN 0.095 nan 8.230 nan 0.000 0.416 284 A N 0.982 123.830 122.820 0.048 0.000 2.119 284 A HA 0.258 4.577 4.320 -0.002 0.000 0.216 284 A C 1.894 179.495 177.584 0.029 0.000 1.152 284 A CA 0.892 52.952 52.037 0.039 0.000 0.708 284 A CB -0.099 18.927 19.000 0.043 0.000 0.805 284 A HN 0.791 nan 8.150 nan 0.000 0.460 285 G N -0.153 108.675 108.800 0.047 0.000 2.175 285 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.244 285 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.244 285 G C 0.176 175.169 174.900 0.155 0.000 0.982 285 G CA 0.919 46.053 45.100 0.056 0.000 0.641 285 G HN 0.957 nan 8.290 nan 0.000 0.527 286 D N -0.646 119.844 120.400 0.149 0.000 2.562 286 D HA 0.226 4.865 4.640 -0.002 0.000 0.246 286 D C 0.959 177.313 176.300 0.090 0.000 1.347 286 D CA 0.305 54.398 54.000 0.155 0.000 0.800 286 D CB -0.482 40.352 40.800 0.058 0.000 1.111 286 D HN 0.460 nan 8.370 nan 0.000 0.508 287 K N -0.090 120.348 120.400 0.064 0.000 3.349 287 K HA -0.238 4.080 4.320 -0.002 0.000 0.310 287 K C 1.183 177.837 176.600 0.088 0.000 1.267 287 K CA 1.088 57.394 56.287 0.032 0.000 0.920 287 K CB -2.279 30.206 32.500 -0.025 0.000 1.240 287 K HN 0.352 nan 8.250 nan 0.000 0.453 288 S N 0.352 116.093 115.700 0.068 0.000 2.474 288 S HA -0.050 4.419 4.470 -0.002 0.000 0.235 288 S C 1.302 176.017 174.600 0.192 0.000 0.997 288 S CA 0.652 58.898 58.200 0.077 0.000 0.949 288 S CB -0.046 63.091 63.200 -0.104 0.000 0.766 288 S HN 0.417 nan 8.310 nan 0.000 0.517 289 L N 2.526 123.862 121.223 0.188 0.000 2.848 289 L HA 0.274 4.613 4.340 -0.002 0.000 0.240 289 L C 1.931 178.967 176.870 0.277 0.000 1.232 289 L CA 0.228 55.207 54.840 0.232 0.000 1.031 289 L CB -0.268 41.919 42.059 0.213 0.000 1.338 289 L HN 0.439 nan 8.230 nan 0.000 0.509 290 S N -0.595 115.279 115.700 0.290 0.000 2.507 290 S HA -0.159 4.310 4.470 -0.002 0.000 0.235 290 S C 1.750 176.520 174.600 0.283 0.000 0.988 290 S CA 0.846 59.234 58.200 0.313 0.000 0.944 290 S CB -0.454 62.934 63.200 0.312 0.000 0.762 290 S HN 0.677 nan 8.310 nan 0.000 0.526 291 N N 2.106 120.972 118.700 0.277 0.000 2.272 291 N HA -0.110 4.629 4.740 -0.002 0.000 0.185 291 N C 1.507 177.150 175.510 0.221 0.000 1.014 291 N CA 1.371 54.566 53.050 0.242 0.000 0.870 291 N CB -0.778 37.829 38.487 0.200 0.000 0.975 291 N HN 0.425 nan 8.380 nan 0.000 0.433 292 V N 1.557 121.594 119.914 0.206 0.000 2.427 292 V HA -0.153 3.966 4.120 -0.002 0.000 0.248 292 V C 2.558 178.784 176.094 0.219 0.000 1.051 292 V CA 0.919 63.333 62.300 0.191 0.000 1.048 292 V CB -0.381 31.532 31.823 0.151 0.000 0.666 292 V HN 0.216 nan 8.190 nan 0.000 0.456 293 I N 0.792 121.471 120.570 0.182 0.000 2.252 293 I HA -0.178 3.991 4.170 -0.002 0.000 0.245 293 I C 2.739 178.961 176.117 0.176 0.000 1.102 293 I CA 1.863 63.253 61.300 0.150 0.000 1.385 293 I CB -1.734 36.335 38.000 0.116 0.000 1.064 293 I HN 0.304 nan 8.210 nan 0.000 0.414 294 A N 0.158 123.085 122.820 0.179 0.000 1.940 294 A HA -0.291 4.028 4.320 -0.002 0.000 0.219 294 A C 2.305 179.980 177.584 0.151 0.000 1.176 294 A CA 2.150 54.273 52.037 0.143 0.000 0.631 294 A CB -1.117 17.976 19.000 0.156 0.000 0.814 294 A HN 0.557 nan 8.150 nan 0.000 0.446 295 H N -0.183 118.956 119.070 0.116 0.000 2.293 295 H HA -0.103 4.451 4.556 -0.002 0.000 0.300 295 H C 1.999 177.410 175.328 0.139 0.000 1.082 295 H CA 1.957 58.067 56.048 0.103 0.000 1.308 295 H CB 0.078 29.921 29.762 0.134 0.000 1.375 295 H HN 0.382 nan 8.280 nan 0.000 0.495 296 E N 0.508 120.920 120.200 0.352 0.000 2.110 296 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 296 E C 2.571 179.363 176.600 0.321 0.000 0.988 296 E CA 0.993 57.626 56.400 0.387 0.000 0.804 296 E CB -0.313 29.610 29.700 0.372 0.000 0.745 296 E HN 0.618 nan 8.360 nan 0.000 0.458 297 I N 1.161 121.859 120.570 0.213 0.000 2.163 297 I HA -0.270 3.898 4.170 -0.002 0.000 0.243 297 I C 2.225 178.529 176.117 0.311 0.000 1.085 297 I CA 1.093 62.443 61.300 0.083 0.000 1.347 297 I CB -0.208 37.731 38.000 -0.101 0.000 1.044 297 I HN -0.022 nan 8.210 nan 0.000 0.408 298 S N -0.632 115.191 115.700 0.206 0.000 2.399 298 S HA -0.206 4.263 4.470 -0.002 0.000 0.231 298 S C 1.896 176.679 174.600 0.304 0.000 1.022 298 S CA 0.950 59.297 58.200 0.245 0.000 0.983 298 S CB -0.479 62.722 63.200 0.003 0.000 0.803 298 S HN 0.435 nan 8.310 nan 0.000 0.480 299 H N 1.508 120.679 119.070 0.168 0.000 2.489 299 H HA 0.048 4.603 4.556 -0.002 0.000 0.295 299 H C 2.154 177.551 175.328 0.115 0.000 1.082 299 H CA 0.993 57.116 56.048 0.125 0.000 1.295 299 H CB -0.384 29.426 29.762 0.081 0.000 1.380 299 H HN 0.309 nan 8.280 nan 0.000 0.548 300 S N -0.507 115.331 115.700 0.231 0.000 2.465 300 S HA -0.143 4.326 4.470 -0.002 0.000 0.241 300 S C 1.592 176.138 174.600 -0.090 0.000 1.000 300 S CA 0.658 58.806 58.200 -0.088 0.000 0.964 300 S CB 0.009 63.086 63.200 -0.205 0.000 0.763 300 S HN 0.550 nan 8.310 nan 0.000 0.512 301 W N 0.986 122.418 121.300 0.221 0.000 3.330 301 W HA 0.144 4.803 4.660 -0.002 0.000 0.243 301 W C 0.611 177.192 176.519 0.103 0.000 0.954 301 W CA 0.272 57.705 57.345 0.146 0.000 2.074 301 W CB -0.955 28.572 29.460 0.112 0.000 1.096 301 W HN 0.146 nan 8.180 nan 0.000 0.643 302 T N -0.493 114.294 114.554 0.388 0.000 2.794 302 T HA 0.582 4.930 4.350 -0.002 0.000 0.304 302 T C 0.630 175.514 174.700 0.307 0.000 0.973 302 T CA 0.564 62.825 62.100 0.269 0.000 0.972 302 T CB 0.933 69.964 68.868 0.272 0.000 0.952 302 T HN 0.399 nan 8.240 nan 0.000 0.509 303 G N 4.423 113.359 108.800 0.228 0.000 3.131 303 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.198 303 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.198 303 G C 0.965 175.966 174.900 0.169 0.000 1.435 303 G CA -0.074 45.178 45.100 0.255 0.000 1.016 303 G HN 0.541 nan 8.290 nan 0.000 0.499 304 N N 0.567 119.341 118.700 0.124 0.000 2.333 304 N HA 0.285 5.024 4.740 -0.002 0.000 0.178 304 N C 2.170 177.813 175.510 0.222 0.000 1.018 304 N CA 1.062 54.142 53.050 0.050 0.000 0.882 304 N CB 0.006 38.351 38.487 -0.236 0.000 0.984 304 N HN 0.485 nan 8.380 nan 0.000 0.434 305 L N -0.287 121.026 121.223 0.149 0.000 2.262 305 L HA 0.204 4.543 4.340 -0.002 0.000 0.197 305 L C -0.015 176.771 176.870 -0.140 0.000 1.073 305 L CA 0.390 55.185 54.840 -0.076 0.000 0.800 305 L CB 0.366 42.296 42.059 -0.214 0.000 0.987 305 L HN -0.155 nan 8.230 nan 0.000 0.470 306 V N 0.613 120.472 119.914 -0.091 0.000 2.333 306 V HA 0.268 4.387 4.120 -0.002 0.000 0.274 306 V C -0.315 175.742 176.094 -0.062 0.000 1.028 306 V CA -0.286 61.926 62.300 -0.145 0.000 0.851 306 V CB 1.135 32.792 31.823 -0.277 0.000 1.000 306 V HN 0.178 nan 8.190 nan 0.000 0.456 307 T N 4.778 119.295 114.554 -0.062 0.000 2.885 307 T HA 0.357 4.706 4.350 -0.002 0.000 0.285 307 T C 0.062 174.715 174.700 -0.079 0.000 1.019 307 T CA -0.719 61.375 62.100 -0.010 0.000 1.010 307 T CB 1.023 69.909 68.868 0.030 0.000 1.022 307 T HN 0.829 nan 8.240 nan 0.000 0.466 308 N N 1.876 120.532 118.700 -0.075 0.000 2.492 308 N HA 0.067 4.806 4.740 -0.002 0.000 0.262 308 N C 0.830 176.222 175.510 -0.197 0.000 1.202 308 N CA -0.540 52.437 53.050 -0.122 0.000 0.926 308 N CB 1.379 39.838 38.487 -0.047 0.000 1.078 308 N HN 0.585 nan 8.380 nan 0.000 0.454 309 K N 0.691 120.992 120.400 -0.164 0.000 2.167 309 K HA -0.074 4.245 4.320 -0.002 0.000 0.203 309 K C 0.370 176.853 176.600 -0.195 0.000 1.052 309 K CA 1.100 57.289 56.287 -0.164 0.000 0.956 309 K CB 0.122 32.537 32.500 -0.142 0.000 0.735 309 K HN 0.853 nan 8.250 nan 0.000 0.451 310 T N -5.076 109.393 114.554 -0.142 0.000 2.841 310 T HA 0.217 4.566 4.350 -0.002 0.000 0.296 310 T C -0.066 174.495 174.700 -0.233 0.000 1.166 310 T CA -0.945 61.022 62.100 -0.221 0.000 1.007 310 T CB 0.249 69.124 68.868 0.011 0.000 1.253 310 T HN 0.270 nan 8.240 nan 0.000 0.511 311 W N 0.247 121.561 121.300 0.023 0.000 2.699 311 W HA 0.110 4.769 4.660 -0.002 0.000 0.249 311 W C 1.263 177.789 176.519 0.012 0.000 1.280 311 W CA -0.079 57.246 57.345 -0.033 0.000 1.345 311 W CB -0.093 29.267 29.460 -0.166 0.000 1.128 311 W HN 0.704 nan 8.180 nan 0.000 0.642 312 D N -1.251 119.230 120.400 0.134 0.000 2.264 312 D HA -0.127 4.512 4.640 -0.002 0.000 0.208 312 D C 1.229 177.439 176.300 -0.150 0.000 0.966 312 D CA 1.263 55.247 54.000 -0.026 0.000 0.864 312 D CB -0.295 40.409 40.800 -0.159 0.000 0.933 312 D HN 0.339 nan 8.370 nan 0.000 0.499 313 H N -0.761 118.446 119.070 0.229 0.000 2.488 313 H HA 0.058 4.613 4.556 -0.002 0.000 0.294 313 H C 1.010 176.431 175.328 0.155 0.000 1.088 313 H CA -0.396 55.776 56.048 0.207 0.000 1.086 313 H CB -0.203 29.596 29.762 0.062 0.000 1.569 313 H HN 0.051 nan 8.280 nan 0.000 0.548 314 F N 2.137 122.186 119.950 0.165 0.000 2.250 314 F HA -0.228 4.297 4.527 -0.002 0.000 0.301 314 F C 2.277 178.138 175.800 0.101 0.000 1.077 314 F CA 0.952 59.054 58.000 0.171 0.000 1.348 314 F CB -0.234 38.913 39.000 0.246 0.000 1.040 314 F HN 0.384 nan 8.300 nan 0.000 0.509 315 W N 0.652 121.950 121.300 -0.004 0.000 2.364 315 W HA -0.198 4.461 4.660 -0.002 0.000 0.281 315 W C 1.495 177.943 176.519 -0.119 0.000 1.219 315 W CA 0.966 58.219 57.345 -0.154 0.000 1.220 315 W CB -1.500 27.918 29.460 -0.070 0.000 1.127 315 W HN 0.119 nan 8.180 nan 0.000 0.556 316 L N 1.411 122.024 121.223 -1.018 0.000 2.046 316 L HA -0.267 4.072 4.340 -0.002 0.000 0.208 316 L C 2.493 179.193 176.870 -0.282 0.000 1.077 316 L CA 1.911 56.195 54.840 -0.927 0.000 0.747 316 L CB -1.062 40.574 42.059 -0.705 0.000 0.896 316 L HN -0.015 nan 8.230 nan 0.000 0.432 317 N N -0.492 118.083 118.700 -0.208 0.000 2.106 317 N HA -0.153 4.586 4.740 -0.002 0.000 0.188 317 N C 1.842 177.312 175.510 -0.067 0.000 1.029 317 N CA 1.106 54.132 53.050 -0.041 0.000 0.848 317 N CB -0.017 38.491 38.487 0.034 0.000 1.007 317 N HN 0.244 nan 8.380 nan 0.000 0.423 318 E N -0.519 119.455 120.200 -0.378 0.000 2.140 318 E HA 0.103 4.451 4.350 -0.002 0.000 0.191 318 E C 2.027 178.555 176.600 -0.120 0.000 0.973 318 E CA 0.614 56.765 56.400 -0.415 0.000 0.829 318 E CB -0.609 28.368 29.700 -1.206 0.000 0.781 318 E HN 0.367 nan 8.360 nan 0.000 0.466 319 G N 0.908 109.698 108.800 -0.016 0.000 2.421 319 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.216 319 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.216 319 G C 1.256 176.238 174.900 0.136 0.000 1.171 319 G CA 1.035 46.226 45.100 0.151 0.000 0.775 319 G HN 0.310 nan 8.290 nan 0.000 0.543 320 H N -0.106 119.020 119.070 0.093 0.000 2.423 320 H HA 0.031 4.585 4.556 -0.002 0.000 0.297 320 H C 2.891 178.343 175.328 0.208 0.000 1.075 320 H CA 1.684 57.842 56.048 0.184 0.000 1.342 320 H CB -0.140 29.689 29.762 0.111 0.000 1.395 320 H HN 0.281 nan 8.280 nan 0.000 0.530 321 T N -0.306 114.331 114.554 0.138 0.000 2.777 321 T HA -0.108 4.241 4.350 -0.002 0.000 0.266 321 T C 2.266 176.954 174.700 -0.021 0.000 1.040 321 T CA 1.205 63.233 62.100 -0.121 0.000 1.141 321 T CB -0.332 68.117 68.868 -0.697 0.000 0.868 321 T HN 0.100 nan 8.240 nan 0.000 0.444 322 V N 0.490 120.509 119.914 0.174 0.000 2.427 322 V HA -0.151 3.968 4.120 -0.002 0.000 0.248 322 V C 2.005 178.272 176.094 0.288 0.000 1.051 322 V CA 1.440 63.896 62.300 0.261 0.000 1.048 322 V CB -0.716 31.291 31.823 0.305 0.000 0.666 322 V HN 0.481 nan 8.190 nan 0.000 0.456 323 Y N 0.532 121.060 120.300 0.380 0.000 2.128 323 Y HA -0.230 4.319 4.550 -0.002 0.000 0.284 323 Y C 2.221 178.319 175.900 0.330 0.000 1.154 323 Y CA 1.718 60.098 58.100 0.466 0.000 1.149 323 Y CB -0.254 38.423 38.460 0.361 0.000 0.976 323 Y HN 0.130 nan 8.280 nan 0.000 0.505 324 L N 0.063 121.465 121.223 0.298 0.000 2.017 324 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 324 L C 2.592 179.507 176.870 0.076 0.000 1.073 324 L CA 1.900 56.842 54.840 0.169 0.000 0.745 324 L CB -0.765 41.376 42.059 0.138 0.000 0.894 324 L HN 0.312 nan 8.230 nan 0.000 0.432 325 E N 0.712 120.948 120.200 0.060 0.000 2.086 325 E HA -0.295 4.054 4.350 -0.002 0.000 0.200 325 E C 2.299 178.916 176.600 0.029 0.000 1.012 325 E CA 1.666 58.101 56.400 0.059 0.000 0.812 325 E CB 0.017 29.784 29.700 0.112 0.000 0.743 325 E HN 0.415 nan 8.360 nan 0.000 0.453 326 R N -0.960 119.508 120.500 -0.054 0.000 2.148 326 R HA -0.052 4.287 4.340 -0.002 0.000 0.223 326 R C 2.507 178.726 176.300 -0.135 0.000 1.088 326 R CA 0.920 56.929 56.100 -0.151 0.000 0.985 326 R CB -0.212 29.892 30.300 -0.328 0.000 0.880 326 R HN 0.350 nan 8.270 nan 0.000 0.451 327 H N 0.611 119.623 119.070 -0.097 0.000 2.395 327 H HA 0.000 4.555 4.556 -0.002 0.000 0.299 327 H C 2.137 177.453 175.328 -0.019 0.000 1.070 327 H CA 1.211 57.217 56.048 -0.071 0.000 1.356 327 H CB 0.074 29.766 29.762 -0.118 0.000 1.401 327 H HN 0.148 nan 8.280 nan 0.000 0.524 328 I N -0.144 120.486 120.570 0.100 0.000 2.179 328 I HA -0.309 3.860 4.170 -0.002 0.000 0.242 328 I C 2.586 178.743 176.117 0.066 0.000 1.088 328 I CA 1.013 62.345 61.300 0.053 0.000 1.357 328 I CB -0.266 37.757 38.000 0.038 0.000 1.051 328 I HN 0.215 nan 8.210 nan 0.000 0.409 329 C N 0.796 120.180 119.300 0.139 0.000 2.435 329 C HA -0.056 4.403 4.460 -0.002 0.000 0.279 329 C C 2.897 178.070 174.990 0.305 0.000 1.321 329 C CA 0.906 60.101 59.018 0.296 0.000 1.752 329 C CB -1.721 26.260 27.740 0.401 0.000 1.959 329 C HN 0.678 nan 8.230 nan 0.000 0.500 330 G N -0.043 108.876 108.800 0.198 0.000 2.421 330 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.217 330 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.217 330 G C 1.867 176.843 174.900 0.128 0.000 1.143 330 G CA 0.210 45.432 45.100 0.204 0.000 0.784 330 G HN 0.446 nan 8.290 nan 0.000 0.541 331 R N -0.176 120.365 120.500 0.069 0.000 2.092 331 R HA 0.147 4.486 4.340 -0.002 0.000 0.231 331 R C 2.533 178.769 176.300 -0.108 0.000 1.119 331 R CA 0.520 56.622 56.100 0.003 0.000 0.970 331 R CB -0.547 29.747 30.300 -0.011 0.000 0.864 331 R HN 0.374 nan 8.270 nan 0.000 0.440 332 L N -0.888 120.185 121.223 -0.251 0.000 2.179 332 L HA -0.028 4.310 4.340 -0.002 0.000 0.208 332 L C 1.121 177.512 176.870 -0.798 0.000 1.096 332 L CA 1.067 55.529 54.840 -0.630 0.000 0.779 332 L CB -0.022 41.391 42.059 -1.076 0.000 0.922 332 L HN 0.073 nan 8.230 nan 0.000 0.443 333 F N -0.854 119.109 119.950 0.022 0.000 2.746 333 F HA 0.484 5.010 4.527 -0.002 0.000 0.320 333 F C 0.898 176.698 175.800 0.000 0.000 1.097 333 F CA -0.135 57.821 58.000 -0.073 0.000 1.195 333 F CB 0.503 39.303 39.000 -0.333 0.000 1.056 333 F HN -0.037 nan 8.300 nan 0.000 0.562 334 G N 0.920 109.830 108.800 0.184 0.000 2.592 334 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.685 334 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.685 334 G C 0.062 175.103 174.900 0.234 0.000 1.278 334 G CA -0.379 44.826 45.100 0.175 0.000 0.822 334 G HN 0.051 nan 8.290 nan 0.000 0.652 335 E N 0.487 120.796 120.200 0.182 0.000 2.153 335 E HA -0.071 4.278 4.350 -0.002 0.000 0.194 335 E C 2.257 178.996 176.600 0.233 0.000 0.988 335 E CA 2.200 58.724 56.400 0.208 0.000 0.811 335 E CB -0.089 29.698 29.700 0.146 0.000 0.746 335 E HN 0.610 nan 8.360 nan 0.000 0.466 336 K N -0.819 119.692 120.400 0.184 0.000 2.097 336 K HA -0.131 4.188 4.320 -0.002 0.000 0.206 336 K C 1.922 178.723 176.600 0.334 0.000 1.049 336 K CA 1.289 57.696 56.287 0.199 0.000 0.933 336 K CB -0.324 32.262 32.500 0.145 0.000 0.717 336 K HN 0.160 nan 8.250 nan 0.000 0.442 337 F N 1.970 122.010 119.950 0.150 0.000 2.186 337 F HA -0.088 4.438 4.527 -0.002 0.000 0.299 337 F C 2.352 178.283 175.800 0.219 0.000 1.090 337 F CA 1.149 59.242 58.000 0.155 0.000 1.307 337 F CB -0.111 38.948 39.000 0.098 0.000 1.019 337 F HN -0.134 nan 8.300 nan 0.000 0.489 338 R N -0.747 119.886 120.500 0.222 0.000 2.091 338 R HA -0.189 4.150 4.340 -0.002 0.000 0.238 338 R C 2.396 178.712 176.300 0.026 0.000 1.136 338 R CA 1.956 58.081 56.100 0.041 0.000 0.959 338 R CB -0.651 29.704 30.300 0.092 0.000 0.856 338 R HN 0.418 nan 8.270 nan 0.000 0.437 339 H N -1.232 117.898 119.070 0.099 0.000 2.389 339 H HA -0.152 4.403 4.556 -0.002 0.000 0.299 339 H C 1.911 177.342 175.328 0.173 0.000 1.081 339 H CA 1.535 57.698 56.048 0.191 0.000 1.345 339 H CB -0.098 29.832 29.762 0.281 0.000 1.393 339 H HN 0.250 nan 8.280 nan 0.000 0.520 340 F N 2.373 122.384 119.950 0.101 0.000 2.102 340 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 340 F C 2.104 177.813 175.800 -0.152 0.000 1.105 340 F CA 1.196 59.197 58.000 0.002 0.000 1.239 340 F CB -0.215 38.793 39.000 0.013 0.000 0.991 340 F HN 0.003 nan 8.300 nan 0.000 0.474 341 N N 0.822 119.362 118.700 -0.266 0.000 2.188 341 N HA -0.123 4.616 4.740 -0.002 0.000 0.184 341 N C 2.054 177.316 175.510 -0.412 0.000 1.018 341 N CA 1.287 54.072 53.050 -0.441 0.000 0.858 341 N CB -0.715 37.471 38.487 -0.501 0.000 0.989 341 N HN 0.433 nan 8.380 nan 0.000 0.426 342 A N 1.250 123.864 122.820 -0.343 0.000 1.908 342 A HA -0.122 4.197 4.320 -0.002 0.000 0.218 342 A C 2.220 179.793 177.584 -0.018 0.000 1.181 342 A CA 1.059 52.942 52.037 -0.257 0.000 0.627 342 A CB -0.670 18.179 19.000 -0.252 0.000 0.818 342 A HN 0.218 nan 8.150 nan 0.000 0.445 343 L N -0.054 121.073 121.223 -0.159 0.000 2.109 343 L HA 0.065 4.404 4.340 -0.002 0.000 0.207 343 L C 2.381 179.065 176.870 -0.311 0.000 1.086 343 L CA 2.046 56.590 54.840 -0.494 0.000 0.760 343 L CB -1.047 40.738 42.059 -0.456 0.000 0.910 343 L HN 0.300 nan 8.230 nan 0.000 0.437 344 G N -1.042 107.532 108.800 -0.376 0.000 2.422 344 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.218 344 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.218 344 G C 1.536 176.324 174.900 -0.187 0.000 1.146 344 G CA 0.548 45.450 45.100 -0.329 0.000 0.769 344 G HN 0.564 nan 8.290 nan 0.000 0.547 345 G N -0.010 108.682 108.800 -0.179 0.000 2.442 345 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.219 345 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.219 345 G C 1.593 176.504 174.900 0.019 0.000 1.141 345 G CA 0.895 45.932 45.100 -0.105 0.000 0.763 345 G HN 0.431 nan 8.290 nan 0.000 0.554 346 W N 2.002 123.252 121.300 -0.083 0.000 2.363 346 W HA -0.047 4.612 4.660 -0.002 0.000 0.296 346 W C 2.211 178.684 176.519 -0.078 0.000 1.212 346 W CA 1.448 58.771 57.345 -0.037 0.000 1.260 346 W CB -0.456 28.930 29.460 -0.123 0.000 1.131 346 W HN 0.217 nan 8.180 nan 0.000 0.530 347 G N 0.535 109.357 108.800 0.036 0.000 2.408 347 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.217 347 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.217 347 G C 1.366 176.205 174.900 -0.103 0.000 1.150 347 G CA 0.826 45.906 45.100 -0.034 0.000 0.776 347 G HN 0.181 nan 8.290 nan 0.000 0.542 348 E N 0.040 120.178 120.200 -0.104 0.000 2.106 348 E HA -0.059 4.290 4.350 -0.002 0.000 0.192 348 E C 2.468 178.988 176.600 -0.133 0.000 0.984 348 E CA 0.398 56.736 56.400 -0.104 0.000 0.806 348 E CB -0.365 29.279 29.700 -0.094 0.000 0.750 348 E HN 0.384 nan 8.360 nan 0.000 0.458 349 L N 1.608 122.721 121.223 -0.184 0.000 2.046 349 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 349 L C 2.182 178.884 176.870 -0.280 0.000 1.077 349 L CA 1.772 56.467 54.840 -0.243 0.000 0.747 349 L CB -0.512 41.314 42.059 -0.389 0.000 0.896 349 L HN 0.058 nan 8.230 nan 0.000 0.432 350 Q N -0.663 118.932 119.800 -0.342 0.000 2.061 350 Q HA -0.236 4.103 4.340 -0.002 0.000 0.204 350 Q C 1.987 177.903 176.000 -0.140 0.000 0.984 350 Q CA 1.822 57.483 55.803 -0.237 0.000 0.846 350 Q CB -0.329 28.314 28.738 -0.157 0.000 0.902 350 Q HN 0.566 nan 8.270 nan 0.000 0.421 351 N N 0.080 118.705 118.700 -0.125 0.000 2.069 351 N HA -0.113 4.626 4.740 -0.002 0.000 0.191 351 N C 1.856 177.299 175.510 -0.111 0.000 1.031 351 N CA 1.433 54.421 53.050 -0.104 0.000 0.852 351 N CB -0.437 37.993 38.487 -0.095 0.000 1.018 351 N HN 0.059 nan 8.380 nan 0.000 0.423 352 S N 0.170 115.805 115.700 -0.108 0.000 2.368 352 S HA -0.032 4.437 4.470 -0.002 0.000 0.225 352 S C 2.204 176.806 174.600 0.003 0.000 1.030 352 S CA 0.590 58.732 58.200 -0.096 0.000 0.999 352 S CB -0.208 62.982 63.200 -0.017 0.000 0.844 352 S HN 0.084 nan 8.310 nan 0.000 0.459 353 V N 1.885 121.800 119.914 0.001 0.000 2.343 353 V HA -0.174 3.945 4.120 -0.002 0.000 0.247 353 V C 2.379 178.488 176.094 0.025 0.000 1.051 353 V CA 1.747 64.070 62.300 0.038 0.000 1.036 353 V CB -0.478 31.314 31.823 -0.052 0.000 0.654 353 V HN 0.434 nan 8.190 nan 0.000 0.451 354 K N -0.412 119.969 120.400 -0.032 0.000 2.057 354 K HA -0.171 4.148 4.320 -0.002 0.000 0.206 354 K C 2.203 178.779 176.600 -0.041 0.000 1.050 354 K CA 1.862 58.129 56.287 -0.033 0.000 0.935 354 K CB -0.250 32.219 32.500 -0.051 0.000 0.715 354 K HN 0.473 nan 8.250 nan 0.000 0.439 355 T N 0.617 115.111 114.554 -0.100 0.000 2.674 355 T HA -0.121 4.227 4.350 -0.002 0.000 0.265 355 T C 1.481 176.092 174.700 -0.148 0.000 1.039 355 T CA 1.564 63.559 62.100 -0.175 0.000 1.150 355 T CB -0.299 68.375 68.868 -0.323 0.000 0.864 355 T HN 0.135 nan 8.240 nan 0.000 0.427 356 F N 1.279 121.166 119.950 -0.105 0.000 2.206 356 F HA 0.304 4.830 4.527 -0.002 0.000 0.298 356 F C 1.783 177.555 175.800 -0.047 0.000 1.090 356 F CA 0.765 58.655 58.000 -0.183 0.000 1.323 356 F CB -0.634 38.185 39.000 -0.301 0.000 1.028 356 F HN 0.396 nan 8.300 nan 0.000 0.492 357 G N 0.143 109.056 108.800 0.188 0.000 2.770 357 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.686 357 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.686 357 G C 0.455 175.423 174.900 0.113 0.000 1.180 357 G CA -0.215 44.960 45.100 0.124 0.000 0.767 357 G HN 0.377 nan 8.290 nan 0.000 0.646 358 E N -0.472 119.759 120.200 0.052 0.000 2.409 358 E HA -0.086 4.263 4.350 -0.002 0.000 0.198 358 E C 1.694 178.305 176.600 0.018 0.000 1.024 358 E CA 1.625 58.040 56.400 0.024 0.000 0.861 358 E CB -0.093 29.605 29.700 -0.003 0.000 0.788 358 E HN 0.924 nan 8.360 nan 0.000 0.521 359 T N -2.516 112.054 114.554 0.026 0.000 3.092 359 T HA 0.013 4.362 4.350 -0.002 0.000 0.258 359 T C 0.436 175.127 174.700 -0.015 0.000 1.031 359 T CA -0.586 61.512 62.100 -0.003 0.000 0.925 359 T CB -0.143 68.713 68.868 -0.022 0.000 1.036 359 T HN 0.170 nan 8.240 nan 0.000 0.544 360 H N 2.770 121.791 119.070 -0.082 0.000 2.803 360 H HA 0.188 4.743 4.556 -0.002 0.000 0.330 360 H C -1.956 173.247 175.328 -0.208 0.000 1.057 360 H CA -1.605 54.338 56.048 -0.175 0.000 1.458 360 H CB 1.783 31.436 29.762 -0.182 0.000 1.470 360 H HN -0.002 nan 8.280 nan 0.000 0.560 361 P HA -0.137 nan 4.420 nan 0.000 0.221 361 P C 0.947 178.354 177.300 0.179 0.000 1.145 361 P CA 0.904 63.971 63.100 -0.054 0.000 0.795 361 P CB 0.042 31.651 31.700 -0.152 0.000 0.775 362 F N -0.728 119.262 119.950 0.066 0.000 2.748 362 F HA 0.011 4.536 4.527 -0.002 0.000 0.299 362 F C 1.818 177.382 175.800 -0.393 0.000 1.154 362 F CA 0.916 58.725 58.000 -0.319 0.000 1.446 362 F CB -1.880 36.570 39.000 -0.918 0.000 1.112 362 F HN 0.044 nan 8.300 nan 0.000 0.584 363 T N -3.158 111.353 114.554 -0.073 0.000 3.107 363 T HA 0.112 4.461 4.350 -0.002 0.000 0.249 363 T C 0.662 175.363 174.700 0.002 0.000 1.096 363 T CA -0.232 61.851 62.100 -0.029 0.000 1.012 363 T CB -0.178 68.692 68.868 0.002 0.000 0.977 363 T HN -0.014 nan 8.240 nan 0.000 0.527 364 K N 0.456 120.876 120.400 0.033 0.000 2.202 364 K HA 0.382 4.701 4.320 -0.002 0.000 0.264 364 K C 0.715 177.325 176.600 0.017 0.000 1.010 364 K CA -0.651 55.656 56.287 0.033 0.000 0.940 364 K CB 1.175 33.727 32.500 0.086 0.000 0.983 364 K HN -0.073 nan 8.250 nan 0.000 0.475 365 L N 2.275 123.465 121.223 -0.056 0.000 2.072 365 L HA -0.019 4.320 4.340 -0.002 0.000 0.205 365 L C 0.176 177.015 176.870 -0.051 0.000 1.079 365 L CA 1.431 56.176 54.840 -0.158 0.000 0.752 365 L CB 0.509 42.304 42.059 -0.440 0.000 0.906 365 L HN 0.303 nan 8.230 nan 0.000 0.436 366 V N 1.546 121.469 119.914 0.015 0.000 2.350 366 V HA 0.376 4.495 4.120 -0.002 0.000 0.276 366 V C 0.002 176.185 176.094 0.148 0.000 1.028 366 V CA -0.526 61.867 62.300 0.154 0.000 0.860 366 V CB 1.081 33.076 31.823 0.287 0.000 0.990 366 V HN 0.089 nan 8.190 nan 0.000 0.453 367 V N 1.298 121.276 119.914 0.107 0.000 3.193 367 V HA 0.749 4.868 4.120 -0.002 0.000 0.320 367 V C -0.624 175.518 176.094 0.080 0.000 1.112 367 V CA -0.774 61.590 62.300 0.108 0.000 1.026 367 V CB 2.192 34.072 31.823 0.096 0.000 1.128 367 V HN 0.718 nan 8.190 nan 0.000 0.452 368 D N 0.925 121.387 120.400 0.103 0.000 2.453 368 D HA 0.394 5.033 4.640 -0.002 0.000 0.238 368 D C 0.212 176.575 176.300 0.105 0.000 1.088 368 D CA -0.286 53.768 54.000 0.090 0.000 0.854 368 D CB 1.226 42.076 40.800 0.084 0.000 1.076 368 D HN 0.611 nan 8.370 nan 0.000 0.533 369 L N 2.609 123.883 121.223 0.085 0.000 2.645 369 L HA 0.134 4.473 4.340 -0.002 0.000 0.234 369 L C 0.673 177.608 176.870 0.110 0.000 1.165 369 L CA 0.035 54.921 54.840 0.077 0.000 0.944 369 L CB -0.158 41.932 42.059 0.052 0.000 1.149 369 L HN 0.281 nan 8.230 nan 0.000 0.446 370 T N 1.129 115.749 114.554 0.110 0.000 2.831 370 T HA -0.072 4.277 4.350 -0.002 0.000 0.291 370 T C 0.526 175.308 174.700 0.137 0.000 0.981 370 T CA 0.256 62.424 62.100 0.113 0.000 1.174 370 T CB 0.071 68.991 68.868 0.086 0.000 0.929 370 T HN 0.335 nan 8.240 nan 0.000 0.532 371 D N 0.674 121.183 120.400 0.182 0.000 3.012 371 D HA -0.150 4.489 4.640 -0.002 0.000 0.222 371 D C -0.266 176.179 176.300 0.242 0.000 1.167 371 D CA 0.733 54.876 54.000 0.237 0.000 0.854 371 D CB -0.623 40.268 40.800 0.151 0.000 1.107 371 D HN 0.370 nan 8.370 nan 0.000 0.421 372 I N 1.014 121.685 120.570 0.168 0.000 2.406 372 I HA 0.156 4.325 4.170 -0.002 0.000 0.290 372 I C 0.494 176.405 176.117 -0.343 0.000 0.999 372 I CA -0.775 60.521 61.300 -0.007 0.000 1.124 372 I CB 1.835 39.877 38.000 0.069 0.000 1.289 372 I HN -0.211 nan 8.210 nan 0.000 0.441 373 D N 8.740 128.685 120.400 -0.758 0.000 2.371 373 D HA 0.153 4.792 4.640 -0.002 0.000 0.256 373 D C -1.742 174.273 176.300 -0.474 0.000 1.193 373 D CA -1.730 51.621 54.000 -1.082 0.000 0.881 373 D CB 1.814 42.066 40.800 -0.914 0.000 1.143 373 D HN 0.177 nan 8.370 nan 0.000 0.473 374 P HA -0.143 nan 4.420 nan 0.000 0.216 374 P C 0.733 177.858 177.300 -0.292 0.000 1.153 374 P CA 0.961 63.841 63.100 -0.367 0.000 0.858 374 P CB 0.279 31.675 31.700 -0.507 0.000 0.789 375 D N -1.138 119.119 120.400 -0.239 0.000 2.221 375 D HA -0.106 4.533 4.640 -0.002 0.000 0.204 375 D C 1.844 178.119 176.300 -0.042 0.000 0.982 375 D CA 0.987 54.919 54.000 -0.114 0.000 0.857 375 D CB -0.476 40.302 40.800 -0.037 0.000 0.934 375 D HN 0.054 nan 8.370 nan 0.000 0.475 376 V N 0.732 120.596 119.914 -0.084 0.000 2.591 376 V HA -0.057 4.062 4.120 -0.002 0.000 0.249 376 V C 2.300 178.417 176.094 0.040 0.000 1.053 376 V CA 1.406 63.709 62.300 0.005 0.000 1.068 376 V CB -0.226 31.599 31.823 0.004 0.000 0.689 376 V HN 0.164 nan 8.190 nan 0.000 0.462 377 A N -1.447 121.262 122.820 -0.185 0.000 2.123 377 A HA 0.022 4.341 4.320 -0.002 0.000 0.214 377 A C 1.071 178.568 177.584 -0.145 0.000 1.152 377 A CA -0.053 51.661 52.037 -0.538 0.000 0.728 377 A CB -0.425 17.937 19.000 -1.063 0.000 0.814 377 A HN 0.508 nan 8.150 nan 0.000 0.464 378 Y N 2.352 122.581 120.300 -0.118 0.000 2.810 378 Y HA 0.250 4.799 4.550 -0.002 0.000 0.332 378 Y C 0.688 176.686 175.900 0.163 0.000 1.243 378 Y CA 0.578 58.691 58.100 0.021 0.000 1.537 378 Y CB 0.248 38.715 38.460 0.013 0.000 1.265 378 Y HN 0.391 nan 8.280 nan 0.000 0.572 379 S N 1.434 116.887 115.700 -0.411 0.000 2.703 379 S HA 0.316 4.785 4.470 -0.002 0.000 0.273 379 S C 0.047 174.497 174.600 -0.249 0.000 1.178 379 S CA -0.383 57.666 58.200 -0.252 0.000 0.838 379 S CB 0.988 64.337 63.200 0.248 0.000 1.178 379 S HN 0.431 nan 8.310 nan 0.000 0.494 380 S N 0.257 115.881 115.700 -0.127 0.000 2.561 380 S HA 0.046 4.515 4.470 -0.002 0.000 0.225 380 S C 1.740 176.424 174.600 0.139 0.000 0.977 380 S CA 0.640 58.808 58.200 -0.053 0.000 0.926 380 S CB -0.483 62.645 63.200 -0.121 0.000 0.769 380 S HN 0.532 nan 8.310 nan 0.000 0.533 381 V N 3.433 123.438 119.914 0.151 0.000 2.255 381 V HA -0.139 3.980 4.120 -0.002 0.000 0.247 381 V C -0.343 175.855 176.094 0.173 0.000 1.051 381 V CA 1.833 64.220 62.300 0.144 0.000 1.018 381 V CB -1.596 30.310 31.823 0.138 0.000 0.641 381 V HN 0.378 nan 8.190 nan 0.000 0.445 382 P HA -0.159 nan 4.420 nan 0.000 0.220 382 P C 1.181 178.546 177.300 0.109 0.000 1.148 382 P CA 1.647 64.843 63.100 0.159 0.000 0.803 382 P CB -0.074 31.704 31.700 0.129 0.000 0.782 383 Y N 0.888 121.232 120.300 0.075 0.000 2.153 383 Y HA -0.079 4.470 4.550 -0.002 0.000 0.289 383 Y C 2.695 178.694 175.900 0.165 0.000 1.127 383 Y CA 1.316 59.478 58.100 0.104 0.000 1.131 383 Y CB -0.822 37.671 38.460 0.055 0.000 0.995 383 Y HN -0.081 nan 8.280 nan 0.000 0.505 384 E N -0.061 120.324 120.200 0.309 0.000 2.190 384 E HA -0.078 4.271 4.350 -0.002 0.000 0.191 384 E C 1.896 178.650 176.600 0.256 0.000 0.978 384 E CA 0.474 57.030 56.400 0.260 0.000 0.839 384 E CB -0.078 29.691 29.700 0.115 0.000 0.787 384 E HN 0.396 nan 8.360 nan 0.000 0.473 385 K N 0.750 121.250 120.400 0.167 0.000 2.228 385 K HA -0.028 4.291 4.320 -0.002 0.000 0.202 385 K C 2.013 178.724 176.600 0.185 0.000 1.051 385 K CA 1.041 57.421 56.287 0.156 0.000 0.960 385 K CB -0.085 32.446 32.500 0.052 0.000 0.743 385 K HN 0.090 nan 8.250 nan 0.000 0.458 386 G N 0.751 109.658 108.800 0.178 0.000 2.404 386 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.215 386 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.215 386 G C 1.284 176.298 174.900 0.191 0.000 1.174 386 G CA 0.535 45.753 45.100 0.197 0.000 0.780 386 G HN 0.388 nan 8.290 nan 0.000 0.537 387 F N 2.589 122.639 119.950 0.167 0.000 2.095 387 F HA -0.003 4.523 4.527 -0.002 0.000 0.298 387 F C 2.762 178.695 175.800 0.221 0.000 1.104 387 F CA 1.486 59.597 58.000 0.186 0.000 1.232 387 F CB -0.350 38.758 39.000 0.179 0.000 0.987 387 F HN 0.228 nan 8.300 nan 0.000 0.475 388 A N 0.557 123.529 122.820 0.252 0.000 1.908 388 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 388 A C 2.137 179.761 177.584 0.067 0.000 1.181 388 A CA 1.822 54.060 52.037 0.334 0.000 0.627 388 A CB -1.345 18.081 19.000 0.710 0.000 0.818 388 A HN 0.545 nan 8.150 nan 0.000 0.445 389 L N -0.113 121.009 121.223 -0.168 0.000 2.017 389 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 389 L C 2.263 178.837 176.870 -0.494 0.000 1.073 389 L CA 1.852 56.215 54.840 -0.795 0.000 0.745 389 L CB -0.587 41.031 42.059 -0.735 0.000 0.894 389 L HN 0.408 nan 8.230 nan 0.000 0.432 390 L N -1.779 119.220 121.223 -0.374 0.000 2.083 390 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 390 L C 2.441 178.887 176.870 -0.706 0.000 1.083 390 L CA 1.125 55.654 54.840 -0.517 0.000 0.752 390 L CB -0.715 41.033 42.059 -0.518 0.000 0.899 390 L HN 0.289 nan 8.230 nan 0.000 0.433 391 F N -0.114 119.405 119.950 -0.719 0.000 2.206 391 F HA -0.233 4.293 4.527 -0.002 0.000 0.298 391 F C 2.535 178.066 175.800 -0.449 0.000 1.090 391 F CA 1.023 58.674 58.000 -0.583 0.000 1.323 391 F CB -0.501 38.043 39.000 -0.761 0.000 1.028 391 F HN 0.047 nan 8.300 nan 0.000 0.492 392 Y N 0.500 120.514 120.300 -0.476 0.000 2.163 392 Y HA -0.167 4.381 4.550 -0.002 0.000 0.288 392 Y C 2.018 177.576 175.900 -0.570 0.000 1.136 392 Y CA 1.833 59.642 58.100 -0.485 0.000 1.147 392 Y CB -0.831 37.430 38.460 -0.331 0.000 0.987 392 Y HN 0.082 nan 8.280 nan 0.000 0.509 393 L N 0.547 121.254 121.223 -0.860 0.000 2.083 393 L HA -0.218 4.121 4.340 -0.002 0.000 0.209 393 L C 2.658 178.949 176.870 -0.965 0.000 1.083 393 L CA 1.950 56.212 54.840 -0.964 0.000 0.752 393 L CB -0.697 40.933 42.059 -0.715 0.000 0.899 393 L HN 0.372 nan 8.230 nan 0.000 0.433 394 E N 0.219 119.741 120.200 -1.131 0.000 2.058 394 E HA -0.295 4.054 4.350 -0.002 0.000 0.194 394 E C 2.111 178.451 176.600 -0.433 0.000 0.997 394 E CA 1.636 57.594 56.400 -0.735 0.000 0.801 394 E CB -0.021 29.442 29.700 -0.394 0.000 0.746 394 E HN 0.573 nan 8.360 nan 0.000 0.450 395 Q N -0.067 119.414 119.800 -0.532 0.000 2.119 395 Q HA -0.130 4.208 4.340 -0.002 0.000 0.201 395 Q C 2.331 178.101 176.000 -0.382 0.000 0.972 395 Q CA 0.991 56.541 55.803 -0.421 0.000 0.847 395 Q CB -0.066 28.379 28.738 -0.488 0.000 0.903 395 Q HN 0.270 nan 8.270 nan 0.000 0.433 396 L N 0.308 121.210 121.223 -0.535 0.000 2.093 396 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 396 L C 1.611 178.243 176.870 -0.396 0.000 1.085 396 L CA 1.544 56.082 54.840 -0.503 0.000 0.755 396 L CB 0.006 41.600 42.059 -0.776 0.000 0.904 396 L HN 0.156 nan 8.230 nan 0.000 0.435 397 L N -1.175 119.798 121.223 -0.417 0.000 2.592 397 L HA 0.329 4.668 4.340 -0.002 0.000 0.227 397 L C 1.302 178.080 176.870 -0.154 0.000 1.127 397 L CA 0.571 55.193 54.840 -0.363 0.000 0.884 397 L CB -0.205 41.488 42.059 -0.610 0.000 1.065 397 L HN 0.475 nan 8.230 nan 0.000 0.457 398 G N -1.047 107.684 108.800 -0.115 0.000 2.227 398 G HA2 0.085 4.043 3.960 -0.002 0.000 0.168 398 G HA3 0.085 4.043 3.960 -0.002 0.000 0.168 398 G C 0.447 175.363 174.900 0.027 0.000 1.006 398 G CA -0.372 44.715 45.100 -0.022 0.000 0.684 398 G HN 0.724 nan 8.290 nan 0.000 0.489 399 G N -0.630 108.184 108.800 0.024 0.000 2.497 399 G HA2 0.404 4.363 3.960 -0.002 0.000 0.686 399 G HA3 0.404 4.363 3.960 -0.002 0.000 0.686 399 G C -1.049 173.974 174.900 0.205 0.000 1.288 399 G CA 0.224 45.374 45.100 0.083 0.000 0.899 399 G HN 0.574 nan 8.290 nan 0.000 0.608 400 P HA -0.147 nan 4.420 nan 0.000 0.216 400 P C 1.310 178.777 177.300 0.278 0.000 1.153 400 P CA 2.027 65.351 63.100 0.373 0.000 0.858 400 P CB 0.129 32.089 31.700 0.434 0.000 0.789 401 E N -0.110 120.208 120.200 0.196 0.000 2.077 401 E HA -0.145 4.204 4.350 -0.002 0.000 0.193 401 E C 2.225 178.940 176.600 0.192 0.000 0.989 401 E CA 0.914 57.402 56.400 0.147 0.000 0.800 401 E CB -0.486 29.280 29.700 0.111 0.000 0.746 401 E HN 0.153 nan 8.360 nan 0.000 0.452 402 I N 0.035 120.748 120.570 0.239 0.000 2.202 402 I HA -0.220 3.949 4.170 -0.002 0.000 0.242 402 I C 2.168 178.540 176.117 0.425 0.000 1.091 402 I CA 0.841 62.326 61.300 0.309 0.000 1.368 402 I CB -0.228 37.958 38.000 0.310 0.000 1.058 402 I HN 0.180 nan 8.210 nan 0.000 0.410 403 F N 1.075 121.204 119.950 0.299 0.000 2.234 403 F HA -0.142 4.384 4.527 -0.002 0.000 0.299 403 F C 2.190 178.198 175.800 0.345 0.000 1.087 403 F CA 1.380 59.596 58.000 0.360 0.000 1.340 403 F CB -0.137 39.019 39.000 0.259 0.000 1.031 403 F HN -0.090 nan 8.300 nan 0.000 0.500 404 L N -0.808 120.620 121.223 0.342 0.000 2.141 404 L HA -0.136 4.203 4.340 -0.002 0.000 0.209 404 L C 2.694 179.585 176.870 0.034 0.000 1.094 404 L CA 1.137 56.080 54.840 0.171 0.000 0.763 404 L CB -1.299 40.786 42.059 0.044 0.000 0.908 404 L HN 0.265 nan 8.230 nan 0.000 0.437 405 G N -0.154 108.684 108.800 0.064 0.000 2.418 405 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.217 405 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.217 405 G C 1.447 176.211 174.900 -0.227 0.000 1.158 405 G CA 0.672 45.791 45.100 0.032 0.000 0.771 405 G HN 0.353 nan 8.290 nan 0.000 0.545 406 F N 1.097 120.673 119.950 -0.623 0.000 2.102 406 F HA 0.008 4.534 4.527 -0.002 0.000 0.298 406 F C 2.232 177.703 175.800 -0.548 0.000 1.105 406 F CA 1.235 58.483 58.000 -1.254 0.000 1.239 406 F CB -0.511 37.811 39.000 -1.129 0.000 0.991 406 F HN 0.099 nan 8.300 nan 0.000 0.474 407 L N 1.317 122.195 121.223 -0.575 0.000 2.043 407 L HA -0.231 4.108 4.340 -0.002 0.000 0.212 407 L C 2.488 179.239 176.870 -0.198 0.000 1.075 407 L CA 2.253 56.894 54.840 -0.332 0.000 0.752 407 L CB -1.122 40.968 42.059 0.053 0.000 0.891 407 L HN 0.308 nan 8.230 nan 0.000 0.432 408 K N -1.168 119.129 120.400 -0.171 0.000 2.148 408 K HA -0.098 4.221 4.320 -0.002 0.000 0.204 408 K C 1.927 178.448 176.600 -0.131 0.000 1.050 408 K CA 1.078 57.298 56.287 -0.112 0.000 0.942 408 K CB -0.127 32.327 32.500 -0.077 0.000 0.724 408 K HN 0.442 nan 8.250 nan 0.000 0.446 409 A N 0.226 122.932 122.820 -0.191 0.000 1.929 409 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 409 A C 1.971 179.449 177.584 -0.176 0.000 1.176 409 A CA 1.053 53.041 52.037 -0.081 0.000 0.628 409 A CB -0.719 18.328 19.000 0.077 0.000 0.816 409 A HN 0.567 nan 8.150 nan 0.000 0.444 410 Y N 0.647 120.694 120.300 -0.420 0.000 2.145 410 Y HA -0.173 4.376 4.550 -0.002 0.000 0.286 410 Y C 2.223 177.923 175.900 -0.333 0.000 1.145 410 Y CA 1.961 59.762 58.100 -0.499 0.000 1.148 410 Y CB -0.459 37.631 38.460 -0.616 0.000 0.981 410 Y HN 0.048 nan 8.280 nan 0.000 0.507 411 V N 0.852 120.589 119.914 -0.295 0.000 2.295 411 V HA -0.306 3.812 4.120 -0.002 0.000 0.246 411 V C 2.406 178.325 176.094 -0.292 0.000 1.049 411 V CA 2.338 64.477 62.300 -0.269 0.000 1.024 411 V CB -0.728 31.096 31.823 0.001 0.000 0.648 411 V HN 0.504 nan 8.190 nan 0.000 0.447 412 E N 0.238 120.293 120.200 -0.242 0.000 2.077 412 E HA -0.319 4.029 4.350 -0.002 0.000 0.193 412 E C 2.199 178.586 176.600 -0.355 0.000 0.989 412 E CA 1.740 58.003 56.400 -0.229 0.000 0.800 412 E CB -0.075 29.536 29.700 -0.148 0.000 0.746 412 E HN 0.488 nan 8.360 nan 0.000 0.452 413 K N -0.158 119.892 120.400 -0.582 0.000 2.057 413 K HA -0.137 4.182 4.320 -0.002 0.000 0.207 413 K C 1.007 177.058 176.600 -0.916 0.000 1.049 413 K CA 1.489 57.237 56.287 -0.898 0.000 0.931 413 K CB -0.191 31.335 32.500 -1.623 0.000 0.714 413 K HN 0.132 nan 8.250 nan 0.000 0.440 414 F N 0.657 120.296 119.950 -0.518 0.000 2.639 414 F HA 0.383 4.909 4.527 -0.002 0.000 0.302 414 F C 0.185 175.759 175.800 -0.377 0.000 1.097 414 F CA -0.539 57.200 58.000 -0.436 0.000 1.294 414 F CB 0.002 38.671 39.000 -0.552 0.000 1.027 414 F HN -0.256 nan 8.300 nan 0.000 0.550 415 S N 0.267 115.802 115.700 -0.276 0.000 2.546 415 S HA -0.013 4.455 4.470 -0.002 0.000 0.290 415 S C -0.090 174.275 174.600 -0.392 0.000 1.290 415 S CA 0.287 58.204 58.200 -0.470 0.000 1.069 415 S CB -0.276 62.561 63.200 -0.606 0.000 0.846 415 S HN 0.480 nan 8.310 nan 0.000 0.495 416 Y N -0.623 119.623 120.300 -0.089 0.000 4.668 416 Y HA -0.254 4.295 4.550 -0.002 0.000 0.234 416 Y C 0.304 176.174 175.900 -0.050 0.000 1.056 416 Y CA 0.614 58.668 58.100 -0.077 0.000 2.025 416 Y CB -2.315 36.082 38.460 -0.105 0.000 1.613 416 Y HN 0.476 nan 8.280 nan 0.000 0.653 417 K N -0.384 120.026 120.400 0.017 0.000 2.306 417 K HA 0.828 5.147 4.320 -0.002 0.000 0.236 417 K C -0.233 176.342 176.600 -0.040 0.000 1.013 417 K CA -0.860 55.437 56.287 0.016 0.000 0.857 417 K CB 1.862 34.396 32.500 0.056 0.000 1.214 417 K HN -0.072 nan 8.250 nan 0.000 0.449 418 S N 1.261 116.926 115.700 -0.059 0.000 2.519 418 S HA 0.575 5.044 4.470 -0.002 0.000 0.309 418 S C -0.628 173.880 174.600 -0.153 0.000 1.100 418 S CA -0.860 57.279 58.200 -0.101 0.000 1.059 418 S CB 0.320 63.470 63.200 -0.083 0.000 1.008 418 S HN 0.560 nan 8.310 nan 0.000 0.478 419 I N -0.040 120.396 120.570 -0.223 0.000 3.239 419 I HA 0.833 5.001 4.170 -0.002 0.000 0.314 419 I C -0.107 175.829 176.117 -0.302 0.000 1.126 419 I CA -0.973 60.145 61.300 -0.302 0.000 0.973 419 I CB 2.135 39.802 38.000 -0.555 0.000 1.252 419 I HN 0.558 nan 8.210 nan 0.000 0.463 420 T N -1.914 112.435 114.554 -0.342 0.000 2.949 420 T HA 0.342 4.690 4.350 -0.002 0.000 0.287 420 T C 0.834 175.394 174.700 -0.233 0.000 1.034 420 T CA -0.177 61.592 62.100 -0.551 0.000 1.018 420 T CB 1.492 70.008 68.868 -0.586 0.000 1.135 420 T HN 0.685 nan 8.240 nan 0.000 0.532 421 T N 0.728 115.228 114.554 -0.090 0.000 2.699 421 T HA -0.155 4.194 4.350 -0.002 0.000 0.268 421 T C 1.521 176.457 174.700 0.394 0.000 1.036 421 T CA 2.182 64.528 62.100 0.409 0.000 1.147 421 T CB -0.709 68.615 68.868 0.759 0.000 0.862 421 T HN 0.879 nan 8.240 nan 0.000 0.446 422 D N 0.838 121.368 120.400 0.218 0.000 2.144 422 D HA -0.120 4.519 4.640 -0.002 0.000 0.199 422 D C 1.848 178.234 176.300 0.144 0.000 0.984 422 D CA 1.003 55.105 54.000 0.171 0.000 0.834 422 D CB -0.200 40.662 40.800 0.104 0.000 0.955 422 D HN 0.248 nan 8.370 nan 0.000 0.465 423 D N -0.602 119.840 120.400 0.069 0.000 2.117 423 D HA -0.163 4.476 4.640 -0.002 0.000 0.197 423 D C 1.716 178.126 176.300 0.184 0.000 0.987 423 D CA 0.728 54.747 54.000 0.031 0.000 0.829 423 D CB -0.617 40.005 40.800 -0.296 0.000 0.961 423 D HN 0.450 nan 8.370 nan 0.000 0.460 424 W N 2.248 123.574 121.300 0.043 0.000 2.355 424 W HA -0.146 4.512 4.660 -0.002 0.000 0.309 424 W C 2.347 179.082 176.519 0.361 0.000 1.206 424 W CA 1.555 59.059 57.345 0.265 0.000 1.284 424 W CB -0.108 29.443 29.460 0.152 0.000 1.145 424 W HN -0.168 nan 8.180 nan 0.000 0.502 425 K N 0.002 120.506 120.400 0.174 0.000 2.097 425 K HA -0.176 4.142 4.320 -0.002 0.000 0.205 425 K C 1.618 178.164 176.600 -0.090 0.000 1.050 425 K CA 1.854 57.993 56.287 -0.247 0.000 0.938 425 K CB -0.370 32.072 32.500 -0.097 0.000 0.718 425 K HN -0.006 nan 8.250 nan 0.000 0.442 426 D N 0.069 120.502 120.400 0.055 0.000 2.144 426 D HA -0.162 4.477 4.640 -0.002 0.000 0.199 426 D C 1.516 177.941 176.300 0.209 0.000 0.984 426 D CA 0.846 54.899 54.000 0.089 0.000 0.834 426 D CB -0.161 40.712 40.800 0.123 0.000 0.955 426 D HN 0.184 nan 8.370 nan 0.000 0.465 427 F N 0.979 121.033 119.950 0.172 0.000 2.206 427 F HA -0.045 4.480 4.527 -0.002 0.000 0.298 427 F C 2.016 177.953 175.800 0.228 0.000 1.090 427 F CA 0.456 58.606 58.000 0.250 0.000 1.323 427 F CB -0.343 38.927 39.000 0.451 0.000 1.028 427 F HN -0.108 nan 8.300 nan 0.000 0.492 428 L N -0.469 120.735 121.223 -0.032 0.000 2.042 428 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 428 L C 2.008 178.788 176.870 -0.151 0.000 1.076 428 L CA 1.964 56.606 54.840 -0.329 0.000 0.749 428 L CB -1.150 40.469 42.059 -0.733 0.000 0.893 428 L HN 0.179 nan 8.230 nan 0.000 0.432 429 Y N -1.241 118.956 120.300 -0.173 0.000 2.293 429 Y HA -0.166 4.383 4.550 -0.002 0.000 0.291 429 Y C 2.993 178.841 175.900 -0.087 0.000 1.137 429 Y CA 1.616 59.665 58.100 -0.085 0.000 1.202 429 Y CB -0.492 37.915 38.460 -0.088 0.000 0.990 429 Y HN 0.327 nan 8.280 nan 0.000 0.537 430 S N -1.091 114.618 115.700 0.015 0.000 2.371 430 S HA -0.241 4.228 4.470 -0.002 0.000 0.224 430 S C 2.008 176.473 174.600 -0.224 0.000 1.029 430 S CA 1.041 59.199 58.200 -0.071 0.000 0.978 430 S CB -0.616 62.566 63.200 -0.031 0.000 0.833 430 S HN 0.552 nan 8.310 nan 0.000 0.466 431 Y N 0.696 120.655 120.300 -0.568 0.000 2.200 431 Y HA 0.096 4.645 4.550 -0.002 0.000 0.290 431 Y C 0.674 176.213 175.900 -0.602 0.000 1.137 431 Y CA 1.431 59.130 58.100 -0.667 0.000 1.163 431 Y CB -0.150 37.799 38.460 -0.851 0.000 0.988 431 Y HN 0.303 nan 8.280 nan 0.000 0.518 432 F N 1.992 121.840 119.950 -0.169 0.000 2.974 432 F HA 0.199 4.725 4.527 -0.002 0.000 0.292 432 F C 1.593 177.280 175.800 -0.190 0.000 1.209 432 F CA -0.523 57.360 58.000 -0.195 0.000 1.366 432 F CB -0.436 38.435 39.000 -0.216 0.000 1.033 432 F HN 0.078 nan 8.300 nan 0.000 0.516 433 K N -1.096 119.256 120.400 -0.079 0.000 2.211 433 K HA -0.172 4.147 4.320 -0.002 0.000 0.204 433 K C 0.408 176.997 176.600 -0.019 0.000 1.047 433 K CA 1.770 58.035 56.287 -0.037 0.000 0.935 433 K CB -0.098 32.361 32.500 -0.068 0.000 0.728 433 K HN 0.155 nan 8.250 nan 0.000 0.452 434 D N 1.003 121.386 120.400 -0.028 0.000 2.328 434 D HA 0.048 4.687 4.640 -0.002 0.000 0.226 434 D C 0.258 176.560 176.300 0.003 0.000 1.066 434 D CA 0.528 54.520 54.000 -0.014 0.000 0.861 434 D CB 0.490 41.273 40.800 -0.029 0.000 0.912 434 D HN 0.344 nan 8.370 nan 0.000 0.521 435 K N -0.036 120.370 120.400 0.010 0.000 2.734 435 K HA 0.148 4.467 4.320 -0.002 0.000 0.200 435 K C 1.278 177.831 176.600 -0.078 0.000 1.120 435 K CA -0.034 56.233 56.287 -0.033 0.000 1.067 435 K CB 1.618 34.089 32.500 -0.049 0.000 0.771 435 K HN -0.178 nan 8.250 nan 0.000 0.481 436 V N 1.566 121.459 119.914 -0.036 0.000 2.380 436 V HA -0.311 3.807 4.120 -0.002 0.000 0.251 436 V C 1.637 177.746 176.094 0.025 0.000 1.063 436 V CA 2.049 64.344 62.300 -0.009 0.000 1.055 436 V CB -0.247 31.642 31.823 0.111 0.000 0.657 436 V HN 0.389 nan 8.190 nan 0.000 0.455 437 D N -0.191 120.219 120.400 0.017 0.000 2.144 437 D HA -0.123 4.516 4.640 -0.002 0.000 0.199 437 D C 2.147 178.442 176.300 -0.009 0.000 0.984 437 D CA 1.303 55.317 54.000 0.023 0.000 0.834 437 D CB -0.150 40.656 40.800 0.010 0.000 0.955 437 D HN 0.380 nan 8.370 nan 0.000 0.465 438 V N 1.146 121.021 119.914 -0.065 0.000 2.323 438 V HA -0.169 3.950 4.120 -0.002 0.000 0.244 438 V C 2.673 178.685 176.094 -0.136 0.000 1.041 438 V CA 0.909 63.139 62.300 -0.117 0.000 1.025 438 V CB -0.408 31.307 31.823 -0.179 0.000 0.656 438 V HN 0.168 nan 8.190 nan 0.000 0.451 439 L N 0.235 121.356 121.223 -0.171 0.000 2.127 439 L HA -0.204 4.135 4.340 -0.002 0.000 0.211 439 L C 1.998 178.972 176.870 0.173 0.000 1.089 439 L CA 1.798 56.554 54.840 -0.140 0.000 0.757 439 L CB -0.720 40.995 42.059 -0.574 0.000 0.899 439 L HN 0.463 nan 8.230 nan 0.000 0.434 440 N N -0.681 118.131 118.700 0.187 0.000 2.571 440 N HA -0.127 4.612 4.740 -0.002 0.000 0.189 440 N C 1.329 176.935 175.510 0.160 0.000 1.154 440 N CA 0.167 53.389 53.050 0.287 0.000 0.907 440 N CB 0.130 38.758 38.487 0.235 0.000 0.977 440 N HN 0.485 nan 8.380 nan 0.000 0.449 441 Q N 0.047 119.880 119.800 0.056 0.000 2.424 441 Q HA 0.098 4.437 4.340 -0.002 0.000 0.204 441 Q C -0.014 175.977 176.000 -0.015 0.000 0.933 441 Q CA 0.224 56.037 55.803 0.018 0.000 0.929 441 Q CB 0.668 29.396 28.738 -0.018 0.000 1.037 441 Q HN 0.123 nan 8.270 nan 0.000 0.511 442 V N 2.440 122.278 119.914 -0.127 0.000 2.555 442 V HA -0.015 4.104 4.120 -0.002 0.000 0.286 442 V C 0.247 176.158 176.094 -0.305 0.000 1.044 442 V CA -0.271 61.824 62.300 -0.342 0.000 1.026 442 V CB 1.137 32.321 31.823 -1.065 0.000 0.981 442 V HN 0.120 nan 8.190 nan 0.000 0.480 443 D N 3.883 124.245 120.400 -0.063 0.000 2.551 443 D HA 0.063 4.702 4.640 -0.002 0.000 0.223 443 D C 0.754 177.137 176.300 0.139 0.000 1.144 443 D CA -0.108 53.923 54.000 0.052 0.000 1.025 443 D CB 0.044 40.864 40.800 0.034 0.000 1.085 443 D HN 0.586 nan 8.370 nan 0.000 0.506 444 W N 2.021 123.481 121.300 0.266 0.000 2.338 444 W HA -0.175 4.484 4.660 -0.002 0.000 0.304 444 W C 2.395 179.008 176.519 0.157 0.000 1.212 444 W CA 0.610 58.092 57.345 0.228 0.000 1.264 444 W CB -0.346 29.240 29.460 0.210 0.000 1.142 444 W HN 0.376 nan 8.180 nan 0.000 0.512 445 N N 0.816 119.761 118.700 0.408 0.000 2.104 445 N HA -0.206 4.533 4.740 -0.002 0.000 0.190 445 N C 1.743 177.387 175.510 0.224 0.000 1.024 445 N CA 1.930 55.202 53.050 0.371 0.000 0.853 445 N CB -0.256 38.420 38.487 0.315 0.000 1.008 445 N HN 0.172 nan 8.380 nan 0.000 0.424 446 A N 0.162 123.061 122.820 0.132 0.000 1.872 446 A HA -0.081 4.238 4.320 -0.002 0.000 0.214 446 A C 1.980 179.537 177.584 -0.045 0.000 1.187 446 A CA 0.811 52.847 52.037 -0.001 0.000 0.614 446 A CB -1.233 17.698 19.000 -0.116 0.000 0.826 446 A HN 0.533 nan 8.150 nan 0.000 0.442 447 W N 0.134 121.367 121.300 -0.111 0.000 2.358 447 W HA -0.093 4.566 4.660 -0.002 0.000 0.303 447 W C 2.052 178.410 176.519 -0.268 0.000 1.208 447 W CA 1.322 58.560 57.345 -0.179 0.000 1.274 447 W CB -0.191 29.163 29.460 -0.177 0.000 1.138 447 W HN 0.220 nan 8.180 nan 0.000 0.515 448 L N -2.261 118.906 121.223 -0.093 0.000 2.249 448 L HA -0.078 4.261 4.340 -0.002 0.000 0.207 448 L C 1.181 177.731 176.870 -0.534 0.000 1.090 448 L CA 0.877 55.401 54.840 -0.527 0.000 0.802 448 L CB -0.485 40.957 42.059 -1.027 0.000 0.947 448 L HN 0.028 nan 8.230 nan 0.000 0.453 449 Y N -1.595 118.764 120.300 0.099 0.000 2.471 449 Y HA 0.281 4.830 4.550 -0.002 0.000 0.249 449 Y C 1.025 176.944 175.900 0.032 0.000 1.116 449 Y CA -0.800 57.341 58.100 0.067 0.000 1.240 449 Y CB 0.111 38.624 38.460 0.089 0.000 1.251 449 Y HN -0.132 nan 8.280 nan 0.000 0.527 450 S N 3.640 119.400 115.700 0.100 0.000 2.585 450 S HA 0.382 4.851 4.470 -0.002 0.000 0.277 450 S C -2.398 172.198 174.600 -0.007 0.000 1.241 450 S CA -1.218 57.005 58.200 0.039 0.000 1.041 450 S CB 1.263 64.456 63.200 -0.011 0.000 0.987 450 S HN -0.019 nan 8.310 nan 0.000 0.512 451 P HA 0.499 nan 4.420 nan 0.000 0.279 451 P C 0.481 177.750 177.300 -0.052 0.000 1.276 451 P CA 0.096 63.185 63.100 -0.019 0.000 0.801 451 P CB 0.288 31.984 31.700 -0.007 0.000 1.127 452 G N -0.721 108.050 108.800 -0.049 0.000 2.632 452 G HA2 -0.182 3.776 3.960 -0.002 0.000 0.224 452 G HA3 -0.182 3.776 3.960 -0.002 0.000 0.224 452 G C -0.724 174.093 174.900 -0.138 0.000 1.341 452 G CA -0.529 44.527 45.100 -0.074 0.000 0.880 452 G HN 0.575 nan 8.290 nan 0.000 0.566 453 L N 1.728 122.854 121.223 -0.161 0.000 2.467 453 L HA 0.320 4.659 4.340 -0.002 0.000 0.270 453 L C -1.384 175.316 176.870 -0.283 0.000 1.205 453 L CA -1.381 53.312 54.840 -0.244 0.000 0.828 453 L CB 0.338 42.295 42.059 -0.169 0.000 1.101 453 L HN 0.397 nan 8.230 nan 0.000 0.479 454 P HA -0.005 nan 4.420 nan 0.000 0.267 454 P C -1.901 175.019 177.300 -0.632 0.000 1.201 454 P CA -0.838 61.798 63.100 -0.774 0.000 0.775 454 P CB -0.026 31.122 31.700 -0.919 0.000 0.854 455 P HA 0.002 nan 4.420 nan 0.000 0.226 455 P C 0.275 177.341 177.300 -0.388 0.000 1.153 455 P CA 1.377 64.163 63.100 -0.524 0.000 0.777 455 P CB 0.577 31.960 31.700 -0.528 0.000 0.794 456 I N -1.521 118.766 120.570 -0.473 0.000 2.722 456 I HA 0.373 4.542 4.170 -0.002 0.000 0.295 456 I C -1.093 174.923 176.117 -0.168 0.000 1.161 456 I CA -1.359 59.775 61.300 -0.277 0.000 1.032 456 I CB 2.990 40.793 38.000 -0.328 0.000 1.244 456 I HN -0.365 nan 8.210 nan 0.000 0.421 457 K N 7.694 127.987 120.400 -0.180 0.000 2.185 457 K HA 0.605 4.924 4.320 -0.002 0.000 0.269 457 K C -2.532 173.944 176.600 -0.207 0.000 0.987 457 K CA -1.529 54.537 56.287 -0.369 0.000 0.865 457 K CB 1.409 33.521 32.500 -0.647 0.000 1.090 457 K HN 0.290 nan 8.250 nan 0.000 0.450 458 P HA 0.045 nan 4.420 nan 0.000 0.272 458 P C -1.111 175.976 177.300 -0.354 0.000 1.254 458 P CA -0.411 62.528 63.100 -0.269 0.000 0.795 458 P CB 0.466 31.933 31.700 -0.390 0.000 1.022 459 N N 0.243 118.691 118.700 -0.420 0.000 2.456 459 N HA 0.286 5.025 4.740 -0.002 0.000 0.288 459 N C -0.952 174.418 175.510 -0.232 0.000 1.059 459 N CA 0.003 52.933 53.050 -0.199 0.000 0.946 459 N CB 0.440 38.849 38.487 -0.131 0.000 1.150 459 N HN 0.349 nan 8.380 nan 0.000 0.479 460 Y N -0.628 119.764 120.300 0.152 0.000 2.442 460 Y HA 0.185 4.734 4.550 -0.002 0.000 0.344 460 Y C 0.238 176.333 175.900 0.326 0.000 0.976 460 Y CA -1.168 57.133 58.100 0.335 0.000 1.040 460 Y CB 1.353 39.942 38.460 0.215 0.000 1.228 460 Y HN 0.449 nan 8.280 nan 0.000 0.451 461 D N 1.828 122.619 120.400 0.651 0.000 2.399 461 D HA 0.127 4.766 4.640 -0.002 0.000 0.241 461 D C 0.432 176.905 176.300 0.288 0.000 1.133 461 D CA 0.217 54.379 54.000 0.269 0.000 0.890 461 D CB 0.771 41.580 40.800 0.014 0.000 1.201 461 D HN 0.429 nan 8.370 nan 0.000 0.432 462 M N 1.898 121.614 119.600 0.193 0.000 2.313 462 M HA 0.033 4.512 4.480 -0.002 0.000 0.273 462 M C 1.600 178.003 176.300 0.173 0.000 1.049 462 M CA 0.094 55.504 55.300 0.183 0.000 1.004 462 M CB -0.435 32.247 32.600 0.136 0.000 1.461 462 M HN 0.433 nan 8.290 nan 0.000 0.514 463 T N 2.159 116.803 114.554 0.150 0.000 2.564 463 T HA -0.204 4.145 4.350 -0.002 0.000 0.264 463 T C 1.855 176.633 174.700 0.131 0.000 1.100 463 T CA 1.719 63.891 62.100 0.120 0.000 1.171 463 T CB -0.396 68.529 68.868 0.095 0.000 0.863 463 T HN 0.373 nan 8.240 nan 0.000 0.430 464 L N 0.315 121.642 121.223 0.174 0.000 2.418 464 L HA 0.033 4.372 4.340 -0.002 0.000 0.218 464 L C 2.716 179.756 176.870 0.284 0.000 1.125 464 L CA 0.772 55.683 54.840 0.117 0.000 0.835 464 L CB -0.578 41.424 42.059 -0.095 0.000 0.953 464 L HN 0.297 nan 8.230 nan 0.000 0.454 465 T N -0.910 113.888 114.554 0.406 0.000 2.942 465 T HA -0.074 4.275 4.350 -0.002 0.000 0.265 465 T C 1.577 176.416 174.700 0.231 0.000 1.062 465 T CA 0.984 63.308 62.100 0.373 0.000 1.139 465 T CB -0.247 68.768 68.868 0.244 0.000 0.883 465 T HN 0.378 nan 8.240 nan 0.000 0.468 466 N N 1.457 120.262 118.700 0.176 0.000 2.060 466 N HA -0.149 4.590 4.740 -0.002 0.000 0.195 466 N C 2.117 177.705 175.510 0.129 0.000 1.028 466 N CA 1.175 54.304 53.050 0.132 0.000 0.861 466 N CB -0.189 38.360 38.487 0.103 0.000 1.029 466 N HN 0.365 nan 8.380 nan 0.000 0.428 467 A N 0.266 123.160 122.820 0.123 0.000 1.969 467 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 467 A C 2.345 180.013 177.584 0.140 0.000 1.169 467 A CA 0.942 53.041 52.037 0.104 0.000 0.635 467 A CB -0.688 18.352 19.000 0.066 0.000 0.810 467 A HN 0.489 nan 8.150 nan 0.000 0.445 468 C N -0.767 118.652 119.300 0.199 0.000 2.457 468 C HA 0.025 4.483 4.460 -0.002 0.000 0.278 468 C C 2.500 177.661 174.990 0.284 0.000 1.309 468 C CA 0.659 59.841 59.018 0.273 0.000 1.735 468 C CB -1.266 26.665 27.740 0.319 0.000 1.992 468 C HN 0.626 nan 8.230 nan 0.000 0.493 469 I N 1.735 122.432 120.570 0.212 0.000 2.202 469 I HA -0.189 3.980 4.170 -0.002 0.000 0.242 469 I C 2.837 179.071 176.117 0.195 0.000 1.091 469 I CA 1.587 62.996 61.300 0.183 0.000 1.368 469 I CB -0.647 37.433 38.000 0.133 0.000 1.058 469 I HN 0.263 nan 8.210 nan 0.000 0.410 470 A N 0.732 123.654 122.820 0.170 0.000 1.883 470 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 470 A C 2.256 179.973 177.584 0.221 0.000 1.186 470 A CA 1.759 53.891 52.037 0.159 0.000 0.624 470 A CB -0.845 18.224 19.000 0.116 0.000 0.822 470 A HN 0.373 nan 8.150 nan 0.000 0.444 471 L N 0.618 121.994 121.223 0.255 0.000 2.044 471 L HA -0.105 4.234 4.340 -0.002 0.000 0.205 471 L C 2.870 180.141 176.870 0.668 0.000 1.075 471 L CA 2.658 57.706 54.840 0.348 0.000 0.747 471 L CB -0.658 41.433 42.059 0.053 0.000 0.903 471 L HN 0.534 nan 8.230 nan 0.000 0.435 472 S N -1.673 114.443 115.700 0.693 0.000 2.368 472 S HA -0.239 4.230 4.470 -0.002 0.000 0.225 472 S C 1.924 176.770 174.600 0.410 0.000 1.030 472 S CA 1.018 59.570 58.200 0.587 0.000 0.999 472 S CB -0.675 62.701 63.200 0.294 0.000 0.844 472 S HN 0.527 nan 8.310 nan 0.000 0.459 473 Q N 1.291 121.272 119.800 0.303 0.000 2.124 473 Q HA 0.024 4.363 4.340 -0.002 0.000 0.202 473 Q C 2.449 178.600 176.000 0.251 0.000 0.977 473 Q CA 1.242 57.181 55.803 0.226 0.000 0.850 473 Q CB -0.387 28.448 28.738 0.161 0.000 0.901 473 Q HN 0.665 nan 8.270 nan 0.000 0.429 474 R N -0.928 119.745 120.500 0.289 0.000 2.091 474 R HA -0.170 4.169 4.340 -0.002 0.000 0.238 474 R C 2.074 178.554 176.300 0.300 0.000 1.136 474 R CA 1.545 57.798 56.100 0.254 0.000 0.959 474 R CB -0.263 30.197 30.300 0.266 0.000 0.856 474 R HN 0.309 nan 8.270 nan 0.000 0.437 475 W N 0.550 122.044 121.300 0.324 0.000 2.409 475 W HA 0.009 4.668 4.660 -0.002 0.000 0.299 475 W C 1.919 178.565 176.519 0.213 0.000 1.203 475 W CA 0.524 57.987 57.345 0.198 0.000 1.298 475 W CB -0.176 29.355 29.460 0.119 0.000 1.127 475 W HN -0.017 nan 8.180 nan 0.000 0.528 476 I N -0.017 120.790 120.570 0.395 0.000 2.286 476 I HA -0.251 3.917 4.170 -0.002 0.000 0.248 476 I C 2.260 178.500 176.117 0.206 0.000 1.115 476 I CA 1.844 63.292 61.300 0.247 0.000 1.392 476 I CB -0.685 37.417 38.000 0.170 0.000 1.065 476 I HN 0.004 nan 8.210 nan 0.000 0.418 477 T N -1.788 112.887 114.554 0.201 0.000 3.105 477 T HA 0.464 4.813 4.350 -0.002 0.000 0.253 477 T C 0.701 175.497 174.700 0.160 0.000 1.047 477 T CA -0.188 62.001 62.100 0.148 0.000 0.944 477 T CB -0.156 68.776 68.868 0.107 0.000 1.016 477 T HN 0.163 nan 8.240 nan 0.000 0.544 478 A N 1.640 124.595 122.820 0.226 0.000 2.498 478 A HA 0.501 4.819 4.320 -0.002 0.000 0.239 478 A C 0.330 178.061 177.584 0.246 0.000 1.068 478 A CA -0.072 52.068 52.037 0.172 0.000 0.766 478 A CB 0.265 19.332 19.000 0.111 0.000 1.003 478 A HN 0.578 nan 8.150 nan 0.000 0.497 479 K N -0.055 120.402 120.400 0.096 0.000 2.346 479 K HA 0.236 4.555 4.320 -0.002 0.000 0.238 479 K C 1.031 177.649 176.600 0.031 0.000 1.039 479 K CA -0.801 55.553 56.287 0.111 0.000 0.861 479 K CB 1.023 33.554 32.500 0.052 0.000 1.278 479 K HN 0.789 nan 8.250 nan 0.000 0.460 480 E N 1.773 122.005 120.200 0.053 0.000 2.114 480 E HA -0.263 4.086 4.350 -0.002 0.000 0.199 480 E C 0.700 177.272 176.600 -0.046 0.000 1.008 480 E CA 2.368 58.776 56.400 0.013 0.000 0.810 480 E CB -0.089 29.627 29.700 0.026 0.000 0.739 480 E HN 0.708 nan 8.360 nan 0.000 0.456 481 D N -0.148 120.219 120.400 -0.054 0.000 2.378 481 D HA -0.118 4.521 4.640 -0.002 0.000 0.227 481 D C 0.768 176.979 176.300 -0.150 0.000 1.012 481 D CA 0.538 54.486 54.000 -0.086 0.000 0.905 481 D CB -0.215 40.543 40.800 -0.070 0.000 0.895 481 D HN 0.200 nan 8.370 nan 0.000 0.532 482 D N -0.057 120.227 120.400 -0.193 0.000 2.392 482 D HA 0.090 4.729 4.640 -0.002 0.000 0.206 482 D C 2.223 178.255 176.300 -0.446 0.000 1.046 482 D CA -0.083 53.699 54.000 -0.365 0.000 0.865 482 D CB 0.498 41.063 40.800 -0.391 0.000 0.969 482 D HN 0.260 nan 8.370 nan 0.000 0.509 483 L N 1.175 122.261 121.223 -0.229 0.000 2.042 483 L HA -0.154 4.185 4.340 -0.002 0.000 0.210 483 L C 1.900 178.725 176.870 -0.075 0.000 1.076 483 L CA 0.939 55.719 54.840 -0.100 0.000 0.749 483 L CB -0.435 41.570 42.059 -0.089 0.000 0.893 483 L HN -0.024 nan 8.230 nan 0.000 0.432 484 N N -0.526 118.102 118.700 -0.121 0.000 2.381 484 N HA -0.098 4.641 4.740 -0.002 0.000 0.182 484 N C 1.875 177.307 175.510 -0.130 0.000 1.025 484 N CA 1.052 54.046 53.050 -0.094 0.000 0.888 484 N CB -0.034 38.403 38.487 -0.083 0.000 0.965 484 N HN 0.225 nan 8.380 nan 0.000 0.438 485 S N 0.091 115.639 115.700 -0.253 0.000 2.470 485 S HA 0.131 4.599 4.470 -0.002 0.000 0.225 485 S C 0.411 174.837 174.600 -0.290 0.000 1.006 485 S CA -0.094 57.932 58.200 -0.290 0.000 0.934 485 S CB -0.015 62.955 63.200 -0.383 0.000 0.778 485 S HN 0.114 nan 8.310 nan 0.000 0.517 486 F N 3.051 122.886 119.950 -0.191 0.000 2.545 486 F HA 0.337 4.863 4.527 -0.002 0.000 0.348 486 F C 0.936 176.705 175.800 -0.052 0.000 1.163 486 F CA -0.116 57.803 58.000 -0.136 0.000 1.331 486 F CB 0.295 39.155 39.000 -0.233 0.000 1.138 486 F HN 0.073 nan 8.300 nan 0.000 0.602 487 N N 0.230 119.085 118.700 0.258 0.000 2.598 487 N HA 0.294 5.033 4.740 -0.002 0.000 0.263 487 N C 0.139 175.805 175.510 0.260 0.000 1.254 487 N CA 0.047 53.193 53.050 0.159 0.000 0.863 487 N CB 1.853 40.387 38.487 0.078 0.000 1.586 487 N HN 0.547 nan 8.380 nan 0.000 0.491 488 A N 0.929 123.852 122.820 0.171 0.000 2.032 488 A HA -0.179 4.140 4.320 -0.002 0.000 0.221 488 A C 1.833 179.476 177.584 0.097 0.000 1.165 488 A CA 2.714 54.853 52.037 0.170 0.000 0.645 488 A CB -1.141 17.899 19.000 0.066 0.000 0.807 488 A HN 0.852 nan 8.150 nan 0.000 0.453 489 T N -2.306 112.295 114.554 0.078 0.000 2.977 489 T HA -0.133 4.216 4.350 -0.002 0.000 0.271 489 T C 1.073 175.790 174.700 0.028 0.000 1.105 489 T CA 1.323 63.444 62.100 0.036 0.000 1.116 489 T CB -0.466 68.417 68.868 0.024 0.000 0.878 489 T HN 0.450 nan 8.240 nan 0.000 0.509 490 D N 1.644 122.092 120.400 0.081 0.000 2.263 490 D HA 0.005 4.644 4.640 -0.002 0.000 0.208 490 D C 1.735 177.967 176.300 -0.113 0.000 0.971 490 D CA 0.744 54.766 54.000 0.037 0.000 0.867 490 D CB -0.142 40.767 40.800 0.181 0.000 0.929 490 D HN 0.462 nan 8.370 nan 0.000 0.492 491 L N 0.145 121.263 121.223 -0.176 0.000 2.592 491 L HA 0.111 4.450 4.340 -0.002 0.000 0.227 491 L C 2.176 178.976 176.870 -0.116 0.000 1.127 491 L CA -0.088 54.617 54.840 -0.224 0.000 0.884 491 L CB -0.069 41.811 42.059 -0.299 0.000 1.065 491 L HN -0.100 nan 8.230 nan 0.000 0.457 492 K N 1.064 121.421 120.400 -0.072 0.000 2.052 492 K HA -0.224 4.095 4.320 -0.002 0.000 0.215 492 K C 0.479 177.052 176.600 -0.045 0.000 1.053 492 K CA 1.959 58.218 56.287 -0.046 0.000 0.934 492 K CB 0.119 32.602 32.500 -0.028 0.000 0.717 492 K HN 0.311 nan 8.250 nan 0.000 0.450 493 D N 0.310 120.683 120.400 -0.045 0.000 2.643 493 D HA 0.131 4.770 4.640 -0.002 0.000 0.244 493 D C -0.589 175.683 176.300 -0.047 0.000 1.257 493 D CA 0.069 54.045 54.000 -0.040 0.000 0.831 493 D CB 0.325 41.109 40.800 -0.028 0.000 1.043 493 D HN 0.154 nan 8.370 nan 0.000 0.488 494 L N 1.188 122.376 121.223 -0.059 0.000 2.307 494 L HA 0.262 4.601 4.340 -0.002 0.000 0.284 494 L C 1.014 177.853 176.870 -0.052 0.000 1.023 494 L CA -0.670 54.136 54.840 -0.056 0.000 0.810 494 L CB 1.808 43.823 42.059 -0.073 0.000 1.231 494 L HN -0.070 nan 8.230 nan 0.000 0.423 495 S N 0.318 115.990 115.700 -0.047 0.000 2.624 495 S HA 0.102 4.571 4.470 -0.002 0.000 0.263 495 S C 1.254 175.824 174.600 -0.051 0.000 1.287 495 S CA -0.116 58.058 58.200 -0.043 0.000 0.990 495 S CB 1.397 64.596 63.200 -0.000 0.000 0.950 495 S HN 0.739 nan 8.310 nan 0.000 0.561 496 S N 0.185 115.810 115.700 -0.125 0.000 2.399 496 S HA -0.210 4.259 4.470 -0.002 0.000 0.231 496 S C 1.468 175.975 174.600 -0.155 0.000 1.022 496 S CA 1.448 59.549 58.200 -0.164 0.000 0.983 496 S CB -1.223 61.833 63.200 -0.241 0.000 0.803 496 S HN 0.864 nan 8.310 nan 0.000 0.480 497 H N 1.614 120.728 119.070 0.072 0.000 2.352 497 H HA 0.004 4.559 4.556 -0.002 0.000 0.299 497 H C 2.519 178.023 175.328 0.294 0.000 1.097 497 H CA 2.000 58.177 56.048 0.214 0.000 1.311 497 H CB -0.278 29.658 29.762 0.289 0.000 1.377 497 H HN 0.517 nan 8.280 nan 0.000 0.504 498 Q N 0.018 119.954 119.800 0.227 0.000 2.172 498 Q HA -0.044 4.295 4.340 -0.002 0.000 0.200 498 Q C 2.188 178.326 176.000 0.230 0.000 0.964 498 Q CA 0.737 56.692 55.803 0.253 0.000 0.855 498 Q CB 0.116 28.898 28.738 0.072 0.000 0.918 498 Q HN 0.468 nan 8.270 nan 0.000 0.444 499 L N 0.580 121.877 121.223 0.124 0.000 2.093 499 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 499 L C 2.189 179.121 176.870 0.104 0.000 1.085 499 L CA 1.044 55.951 54.840 0.112 0.000 0.755 499 L CB -0.422 41.645 42.059 0.013 0.000 0.904 499 L HN 0.296 nan 8.230 nan 0.000 0.435 500 N N 0.255 118.997 118.700 0.071 0.000 2.120 500 N HA -0.249 4.490 4.740 -0.002 0.000 0.188 500 N C 1.790 177.342 175.510 0.070 0.000 1.024 500 N CA 1.380 54.452 53.050 0.037 0.000 0.852 500 N CB 0.058 38.589 38.487 0.072 0.000 1.003 500 N HN 0.163 nan 8.380 nan 0.000 0.424 501 E N -0.391 119.918 120.200 0.181 0.000 2.106 501 E HA -0.134 4.215 4.350 -0.002 0.000 0.192 501 E C 1.705 178.384 176.600 0.132 0.000 0.984 501 E CA 0.809 57.292 56.400 0.138 0.000 0.806 501 E CB -0.676 29.167 29.700 0.239 0.000 0.750 501 E HN 0.465 nan 8.360 nan 0.000 0.458 502 F N 0.736 120.723 119.950 0.062 0.000 2.095 502 F HA -0.142 4.384 4.527 -0.002 0.000 0.298 502 F C 1.764 177.564 175.800 -0.000 0.000 1.104 502 F CA 1.566 59.595 58.000 0.048 0.000 1.232 502 F CB -0.511 38.517 39.000 0.046 0.000 0.987 502 F HN 0.075 nan 8.300 nan 0.000 0.475 503 L N 0.032 121.019 121.223 -0.393 0.000 2.093 503 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 503 L C 2.831 179.506 176.870 -0.325 0.000 1.085 503 L CA 1.115 55.648 54.840 -0.512 0.000 0.755 503 L CB -1.110 40.740 42.059 -0.347 0.000 0.904 503 L HN 0.298 nan 8.230 nan 0.000 0.435 504 A N -0.525 122.183 122.820 -0.187 0.000 1.902 504 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 504 A C 2.211 179.714 177.584 -0.135 0.000 1.181 504 A CA 1.476 53.431 52.037 -0.137 0.000 0.623 504 A CB -0.401 18.552 19.000 -0.079 0.000 0.818 504 A HN 0.468 nan 8.150 nan 0.000 0.443 505 Q N -0.962 118.766 119.800 -0.121 0.000 2.079 505 Q HA -0.108 4.231 4.340 -0.002 0.000 0.200 505 Q C 2.130 178.061 176.000 -0.114 0.000 0.974 505 Q CA 1.843 57.599 55.803 -0.078 0.000 0.840 505 Q CB -0.344 28.392 28.738 -0.004 0.000 0.898 505 Q HN 0.664 nan 8.270 nan 0.000 0.430 506 T N 1.416 115.831 114.554 -0.233 0.000 2.821 506 T HA -0.112 4.237 4.350 -0.002 0.000 0.267 506 T C 1.701 176.294 174.700 -0.177 0.000 1.046 506 T CA 0.737 62.700 62.100 -0.229 0.000 1.139 506 T CB -0.173 68.421 68.868 -0.457 0.000 0.871 506 T HN 0.098 nan 8.240 nan 0.000 0.454 507 L N 1.378 122.479 121.223 -0.204 0.000 2.131 507 L HA -0.022 4.317 4.340 -0.002 0.000 0.210 507 L C 2.332 179.122 176.870 -0.133 0.000 1.092 507 L CA 1.614 56.346 54.840 -0.179 0.000 0.759 507 L CB -0.708 41.224 42.059 -0.210 0.000 0.903 507 L HN 0.240 nan 8.230 nan 0.000 0.435 508 Q N -0.867 118.868 119.800 -0.109 0.000 2.291 508 Q HA -0.117 4.221 4.340 -0.002 0.000 0.206 508 Q C 1.039 177.002 176.000 -0.062 0.000 0.976 508 Q CA 0.778 56.534 55.803 -0.078 0.000 0.875 508 Q CB 0.045 28.749 28.738 -0.055 0.000 0.927 508 Q HN 0.383 nan 8.270 nan 0.000 0.450 509 R N -0.496 119.967 120.500 -0.060 0.000 2.468 509 R HA 0.321 4.660 4.340 -0.002 0.000 0.280 509 R C -0.102 176.165 176.300 -0.055 0.000 0.963 509 R CA -0.067 56.009 56.100 -0.041 0.000 1.083 509 R CB 0.320 30.614 30.300 -0.010 0.000 1.200 509 R HN 0.038 nan 8.270 nan 0.000 0.541 510 A N 3.096 125.865 122.820 -0.084 0.000 2.366 510 A HA 0.403 4.722 4.320 -0.002 0.000 0.249 510 A C -1.728 175.801 177.584 -0.092 0.000 1.084 510 A CA -0.792 51.184 52.037 -0.101 0.000 0.794 510 A CB -0.230 18.688 19.000 -0.136 0.000 1.034 510 A HN 0.010 nan 8.150 nan 0.000 0.491 511 P HA 0.439 nan 4.420 nan 0.000 0.276 511 P C -0.883 176.355 177.300 -0.103 0.000 1.244 511 P CA -0.249 62.778 63.100 -0.121 0.000 0.801 511 P CB 0.816 32.436 31.700 -0.133 0.000 1.006 512 L N 1.952 123.110 121.223 -0.109 0.000 2.352 512 L HA 0.445 4.784 4.340 -0.002 0.000 0.269 512 L C -2.130 174.650 176.870 -0.150 0.000 1.034 512 L CA -2.476 52.309 54.840 -0.092 0.000 0.806 512 L CB 1.508 43.557 42.059 -0.016 0.000 1.244 512 L HN 0.218 nan 8.230 nan 0.000 0.447 513 P HA -0.041 nan 4.420 nan 0.000 0.267 513 P C 0.419 177.624 177.300 -0.158 0.000 1.200 513 P CA -0.279 62.667 63.100 -0.256 0.000 0.772 513 P CB 0.609 32.016 31.700 -0.488 0.000 0.855 514 L N 3.809 124.947 121.223 -0.142 0.000 2.042 514 L HA -0.104 4.235 4.340 -0.002 0.000 0.210 514 L C 2.171 178.923 176.870 -0.198 0.000 1.076 514 L CA 2.587 57.315 54.840 -0.187 0.000 0.749 514 L CB -1.582 40.387 42.059 -0.150 0.000 0.893 514 L HN 0.536 nan 8.230 nan 0.000 0.432 515 G N -2.289 106.471 108.800 -0.066 0.000 2.432 515 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.219 515 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.219 515 G C 1.285 176.255 174.900 0.116 0.000 1.135 515 G CA 0.971 46.075 45.100 0.006 0.000 0.767 515 G HN 0.535 nan 8.290 nan 0.000 0.550 516 H N 0.279 119.341 119.070 -0.014 0.000 2.357 516 H HA 0.064 4.619 4.556 -0.002 0.000 0.301 516 H C 2.612 177.956 175.328 0.027 0.000 1.082 516 H CA 0.601 56.729 56.048 0.134 0.000 1.342 516 H CB -0.056 29.828 29.762 0.203 0.000 1.389 516 H HN 0.223 nan 8.280 nan 0.000 0.511 517 I N 0.687 121.245 120.570 -0.019 0.000 2.353 517 I HA -0.168 4.000 4.170 -0.002 0.000 0.248 517 I C 1.967 177.884 176.117 -0.333 0.000 1.119 517 I CA 1.018 62.221 61.300 -0.162 0.000 1.417 517 I CB -0.735 37.121 38.000 -0.241 0.000 1.078 517 I HN 0.210 nan 8.210 nan 0.000 0.421 518 K N 0.467 120.516 120.400 -0.585 0.000 2.063 518 K HA -0.221 4.098 4.320 -0.002 0.000 0.208 518 K C 2.238 178.722 176.600 -0.194 0.000 1.048 518 K CA 1.322 57.223 56.287 -0.643 0.000 0.928 518 K CB -0.139 32.050 32.500 -0.520 0.000 0.713 518 K HN 0.018 nan 8.250 nan 0.000 0.442 519 R N 1.326 121.776 120.500 -0.084 0.000 2.092 519 R HA -0.013 4.326 4.340 -0.002 0.000 0.231 519 R C 2.050 178.318 176.300 -0.052 0.000 1.119 519 R CA 1.329 57.437 56.100 0.013 0.000 0.970 519 R CB -0.327 30.052 30.300 0.133 0.000 0.864 519 R HN 0.178 nan 8.270 nan 0.000 0.440 520 M N -0.092 119.393 119.600 -0.192 0.000 2.117 520 M HA -0.214 4.264 4.480 -0.002 0.000 0.262 520 M C 1.989 178.024 176.300 -0.443 0.000 1.065 520 M CA 2.072 57.022 55.300 -0.583 0.000 1.114 520 M CB -0.084 32.141 32.600 -0.625 0.000 1.361 520 M HN 0.202 nan 8.290 nan 0.000 0.408 521 Q N 0.741 120.508 119.800 -0.054 0.000 2.079 521 Q HA -0.173 4.166 4.340 -0.002 0.000 0.200 521 Q C 1.498 177.463 176.000 -0.058 0.000 0.974 521 Q CA 2.124 57.954 55.803 0.045 0.000 0.840 521 Q CB -0.310 28.771 28.738 0.572 0.000 0.898 521 Q HN 0.615 nan 8.270 nan 0.000 0.430 522 E N -0.521 119.656 120.200 -0.039 0.000 2.085 522 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 522 E C 1.916 178.451 176.600 -0.109 0.000 0.994 522 E CA 1.885 58.261 56.400 -0.039 0.000 0.801 522 E CB -0.081 29.608 29.700 -0.019 0.000 0.743 522 E HN 0.478 nan 8.360 nan 0.000 0.453 523 V N -1.913 117.863 119.914 -0.230 0.000 2.725 523 V HA -0.069 4.050 4.120 -0.002 0.000 0.247 523 V C 1.484 177.434 176.094 -0.240 0.000 1.058 523 V CA 0.982 63.127 62.300 -0.258 0.000 1.080 523 V CB -0.457 31.178 31.823 -0.313 0.000 0.713 523 V HN 0.129 nan 8.190 nan 0.000 0.465 524 Y N 0.334 120.383 120.300 -0.419 0.000 2.462 524 Y HA 0.407 4.956 4.550 -0.002 0.000 0.253 524 Y C 1.332 176.825 175.900 -0.679 0.000 1.095 524 Y CA -0.702 56.971 58.100 -0.713 0.000 1.283 524 Y CB -0.676 36.904 38.460 -1.468 0.000 1.138 524 Y HN 0.478 nan 8.280 nan 0.000 0.522 525 N N 0.201 118.684 118.700 -0.362 0.000 2.725 525 N HA -0.235 4.504 4.740 -0.002 0.000 0.251 525 N C 0.055 175.441 175.510 -0.206 0.000 1.031 525 N CA 0.221 53.152 53.050 -0.198 0.000 0.720 525 N CB -1.700 36.732 38.487 -0.092 0.000 0.930 525 N HN 0.136 nan 8.380 nan 0.000 0.543 526 F N 0.090 119.766 119.950 -0.456 0.000 2.365 526 F HA 0.059 4.585 4.527 -0.002 0.000 0.300 526 F C 2.056 177.592 175.800 -0.439 0.000 1.090 526 F CA 0.530 58.102 58.000 -0.713 0.000 1.408 526 F CB -0.282 37.698 39.000 -1.700 0.000 1.060 526 F HN 0.251 nan 8.300 nan 0.000 0.534 527 N N 0.273 119.017 118.700 0.074 0.000 2.364 527 N HA -0.110 4.628 4.740 -0.002 0.000 0.183 527 N C 1.932 177.514 175.510 0.119 0.000 1.022 527 N CA 1.120 54.328 53.050 0.263 0.000 0.883 527 N CB -0.367 38.272 38.487 0.253 0.000 0.965 527 N HN 0.247 nan 8.380 nan 0.000 0.438 528 A N 0.129 122.985 122.820 0.060 0.000 2.208 528 A HA 0.158 4.477 4.320 -0.002 0.000 0.209 528 A C 0.943 178.545 177.584 0.030 0.000 1.161 528 A CA -0.114 51.946 52.037 0.037 0.000 0.782 528 A CB -0.072 18.939 19.000 0.017 0.000 0.816 528 A HN 0.131 nan 8.150 nan 0.000 0.477 529 I N 1.108 121.699 120.570 0.036 0.000 2.441 529 I HA 0.052 4.221 4.170 -0.002 0.000 0.287 529 I C 0.390 176.514 176.117 0.012 0.000 1.049 529 I CA -0.310 61.001 61.300 0.019 0.000 1.381 529 I CB 0.805 38.813 38.000 0.013 0.000 1.409 529 I HN 0.212 nan 8.210 nan 0.000 0.523 530 N N 3.991 122.692 118.700 0.002 0.000 2.236 530 N HA -0.028 4.711 4.740 -0.002 0.000 0.196 530 N C 0.458 175.962 175.510 -0.010 0.000 1.114 530 N CA 0.078 53.127 53.050 -0.001 0.000 0.859 530 N CB 0.094 38.582 38.487 0.002 0.000 0.982 530 N HN 0.576 nan 8.380 nan 0.000 0.493 531 N N 2.034 120.724 118.700 -0.016 0.000 2.365 531 N HA -0.075 4.664 4.740 -0.002 0.000 0.265 531 N C 1.199 176.685 175.510 -0.040 0.000 1.288 531 N CA 0.268 53.309 53.050 -0.015 0.000 0.869 531 N CB 0.819 39.287 38.487 -0.032 0.000 1.071 531 N HN 0.121 nan 8.380 nan 0.000 0.480 532 S N 3.485 119.163 115.700 -0.037 0.000 2.399 532 S HA -0.104 4.364 4.470 -0.002 0.000 0.231 532 S C 1.251 175.645 174.600 -0.343 0.000 1.022 532 S CA 0.647 58.731 58.200 -0.194 0.000 0.983 532 S CB -0.013 63.130 63.200 -0.095 0.000 0.803 532 S HN 0.621 nan 8.310 nan 0.000 0.480 533 E N 1.448 121.611 120.200 -0.062 0.000 2.072 533 E HA 0.036 4.385 4.350 -0.002 0.000 0.191 533 E C 2.154 178.773 176.600 0.032 0.000 0.985 533 E CA 1.028 57.470 56.400 0.070 0.000 0.801 533 E CB -0.361 29.441 29.700 0.170 0.000 0.750 533 E HN 0.610 nan 8.360 nan 0.000 0.452 534 I N 0.587 121.135 120.570 -0.036 0.000 2.202 534 I HA -0.223 3.946 4.170 -0.002 0.000 0.242 534 I C 2.816 178.884 176.117 -0.083 0.000 1.091 534 I CA 0.854 62.094 61.300 -0.099 0.000 1.368 534 I CB -0.244 37.666 38.000 -0.151 0.000 1.058 534 I HN 0.002 nan 8.210 nan 0.000 0.410 535 R N 0.729 121.194 120.500 -0.058 0.000 2.081 535 R HA -0.241 4.098 4.340 -0.002 0.000 0.235 535 R C 2.443 178.739 176.300 -0.006 0.000 1.131 535 R CA 1.787 57.898 56.100 0.018 0.000 0.960 535 R CB -0.417 29.874 30.300 -0.016 0.000 0.856 535 R HN 0.245 nan 8.270 nan 0.000 0.436 536 F N 1.438 121.207 119.950 -0.303 0.000 2.043 536 F HA -0.229 4.297 4.527 -0.002 0.000 0.297 536 F C 2.097 177.799 175.800 -0.164 0.000 1.121 536 F CA 1.842 59.643 58.000 -0.331 0.000 1.199 536 F CB -0.337 38.303 39.000 -0.600 0.000 0.968 536 F HN -0.077 nan 8.300 nan 0.000 0.478 537 R N -0.404 119.860 120.500 -0.393 0.000 2.075 537 R HA -0.221 4.117 4.340 -0.002 0.000 0.232 537 R C 2.428 178.565 176.300 -0.272 0.000 1.126 537 R CA 1.681 57.501 56.100 -0.467 0.000 0.963 537 R CB -1.183 28.967 30.300 -0.250 0.000 0.858 537 R HN 0.678 nan 8.270 nan 0.000 0.435 538 W N 1.694 122.785 121.300 -0.348 0.000 2.355 538 W HA -0.189 4.470 4.660 -0.002 0.000 0.309 538 W C 1.328 177.735 176.519 -0.187 0.000 1.206 538 W CA 1.164 58.350 57.345 -0.265 0.000 1.284 538 W CB -0.183 29.134 29.460 -0.237 0.000 1.145 538 W HN 0.066 nan 8.180 nan 0.000 0.502 539 L N 0.730 121.746 121.223 -0.344 0.000 2.083 539 L HA -0.203 4.136 4.340 -0.002 0.000 0.209 539 L C 2.886 179.505 176.870 -0.420 0.000 1.083 539 L CA 1.315 55.876 54.840 -0.465 0.000 0.752 539 L CB -0.889 41.010 42.059 -0.266 0.000 0.899 539 L HN -0.045 nan 8.230 nan 0.000 0.433 540 R N -0.138 120.113 120.500 -0.414 0.000 2.083 540 R HA -0.201 4.138 4.340 -0.002 0.000 0.237 540 R C 2.246 178.339 176.300 -0.345 0.000 1.137 540 R CA 1.380 57.248 56.100 -0.387 0.000 0.951 540 R CB -0.603 29.390 30.300 -0.512 0.000 0.851 540 R HN 0.195 nan 8.270 nan 0.000 0.434 541 L N 0.648 121.660 121.223 -0.351 0.000 2.083 541 L HA -0.184 4.155 4.340 -0.002 0.000 0.209 541 L C 2.133 178.800 176.870 -0.338 0.000 1.083 541 L CA 1.650 56.311 54.840 -0.299 0.000 0.752 541 L CB -0.400 41.525 42.059 -0.224 0.000 0.899 541 L HN 0.189 nan 8.230 nan 0.000 0.433 542 C N -0.702 118.313 119.300 -0.474 0.000 2.446 542 C HA -0.085 4.374 4.460 -0.002 0.000 0.277 542 C C 2.672 177.493 174.990 -0.282 0.000 1.275 542 C CA 0.346 59.134 59.018 -0.384 0.000 1.727 542 C CB -0.803 26.624 27.740 -0.522 0.000 2.010 542 C HN 0.536 nan 8.230 nan 0.000 0.486 543 I N 0.826 121.206 120.570 -0.316 0.000 2.252 543 I HA -0.169 4.000 4.170 -0.002 0.000 0.245 543 I C 2.525 178.366 176.117 -0.461 0.000 1.102 543 I CA 1.617 62.720 61.300 -0.329 0.000 1.385 543 I CB -1.550 36.338 38.000 -0.186 0.000 1.064 543 I HN 0.509 nan 8.210 nan 0.000 0.414 544 Q N 0.072 119.673 119.800 -0.331 0.000 2.291 544 Q HA -0.086 4.253 4.340 -0.002 0.000 0.205 544 Q C 1.815 177.630 176.000 -0.308 0.000 0.970 544 Q CA 1.189 56.819 55.803 -0.289 0.000 0.876 544 Q CB -0.030 28.579 28.738 -0.216 0.000 0.935 544 Q HN 0.359 nan 8.270 nan 0.000 0.455 545 S N 0.289 115.802 115.700 -0.312 0.000 2.605 545 S HA 0.052 4.521 4.470 -0.002 0.000 0.217 545 S C -0.191 174.228 174.600 -0.302 0.000 0.958 545 S CA -0.087 57.957 58.200 -0.259 0.000 0.919 545 S CB 0.368 63.445 63.200 -0.205 0.000 0.780 545 S HN 0.206 nan 8.310 nan 0.000 0.507 546 K N -0.119 119.948 120.400 -0.556 0.000 3.167 546 K HA -0.152 4.167 4.320 -0.002 0.000 0.272 546 K C -0.878 175.623 176.600 -0.165 0.000 1.137 546 K CA 0.497 56.326 56.287 -0.763 0.000 0.800 546 K CB -2.097 30.217 32.500 -0.311 0.000 1.253 546 K HN 0.545 nan 8.250 nan 0.000 0.497 547 W N 2.784 123.903 121.300 -0.301 0.000 2.342 547 W HA 0.233 4.892 4.660 -0.002 0.000 0.310 547 W C 1.087 177.665 176.519 0.099 0.000 1.128 547 W CA -1.014 56.286 57.345 -0.074 0.000 1.322 547 W CB 0.132 29.504 29.460 -0.147 0.000 1.251 547 W HN 0.162 nan 8.180 nan 0.000 0.439 548 E N 2.067 122.533 120.200 0.442 0.000 2.204 548 E HA -0.216 4.132 4.350 -0.002 0.000 0.194 548 E C 1.151 177.711 176.600 -0.068 0.000 0.989 548 E CA 1.243 57.788 56.400 0.243 0.000 0.824 548 E CB 0.298 30.101 29.700 0.171 0.000 0.756 548 E HN 0.407 nan 8.360 nan 0.000 0.477 549 D N 0.585 120.763 120.400 -0.370 0.000 2.263 549 D HA -0.117 4.522 4.640 -0.002 0.000 0.208 549 D C 1.625 177.559 176.300 -0.610 0.000 0.971 549 D CA 0.914 54.565 54.000 -0.581 0.000 0.867 549 D CB -0.013 40.236 40.800 -0.917 0.000 0.929 549 D HN 0.170 nan 8.370 nan 0.000 0.492 550 A N 0.116 122.554 122.820 -0.637 0.000 2.169 550 A HA 0.049 4.368 4.320 -0.002 0.000 0.212 550 A C 2.196 179.640 177.584 -0.233 0.000 1.153 550 A CA -0.039 51.724 52.037 -0.458 0.000 0.756 550 A CB -0.336 18.400 19.000 -0.440 0.000 0.813 550 A HN 0.136 nan 8.150 nan 0.000 0.471 551 I N 0.923 121.413 120.570 -0.133 0.000 2.127 551 I HA -0.175 3.994 4.170 -0.002 0.000 0.241 551 I C -0.245 175.807 176.117 -0.108 0.000 1.075 551 I CA 1.616 62.874 61.300 -0.070 0.000 1.334 551 I CB -0.974 37.003 38.000 -0.037 0.000 1.040 551 I HN 0.251 nan 8.210 nan 0.000 0.405 552 P HA -0.138 nan 4.420 nan 0.000 0.219 552 P C 1.937 179.170 177.300 -0.112 0.000 1.150 552 P CA 1.518 64.557 63.100 -0.102 0.000 0.814 552 P CB -0.047 31.600 31.700 -0.089 0.000 0.787 553 L N -0.541 120.600 121.223 -0.136 0.000 2.093 553 L HA -0.110 4.229 4.340 -0.002 0.000 0.208 553 L C 2.777 179.570 176.870 -0.128 0.000 1.085 553 L CA 1.644 56.411 54.840 -0.121 0.000 0.755 553 L CB -1.238 40.739 42.059 -0.137 0.000 0.904 553 L HN -0.044 nan 8.230 nan 0.000 0.435 554 A N 0.085 122.813 122.820 -0.154 0.000 1.929 554 A HA -0.086 4.233 4.320 -0.002 0.000 0.216 554 A C 2.254 179.712 177.584 -0.211 0.000 1.176 554 A CA 1.037 52.974 52.037 -0.168 0.000 0.628 554 A CB -0.540 18.360 19.000 -0.166 0.000 0.816 554 A HN 0.319 nan 8.150 nan 0.000 0.444 555 L N -0.535 120.566 121.223 -0.203 0.000 2.083 555 L HA -0.181 4.158 4.340 -0.002 0.000 0.209 555 L C 2.609 179.349 176.870 -0.216 0.000 1.083 555 L CA 1.824 56.512 54.840 -0.254 0.000 0.752 555 L CB -0.332 41.630 42.059 -0.161 0.000 0.899 555 L HN 0.460 nan 8.230 nan 0.000 0.433 556 K N 0.375 120.691 120.400 -0.139 0.000 2.026 556 K HA -0.244 4.075 4.320 -0.002 0.000 0.208 556 K C 2.252 178.798 176.600 -0.090 0.000 1.048 556 K CA 1.748 57.979 56.287 -0.093 0.000 0.929 556 K CB -0.104 32.359 32.500 -0.063 0.000 0.713 556 K HN 0.153 nan 8.250 nan 0.000 0.439 557 M N 0.153 119.693 119.600 -0.098 0.000 2.175 557 M HA -0.095 4.384 4.480 -0.002 0.000 0.264 557 M C 1.902 178.158 176.300 -0.074 0.000 1.063 557 M CA 1.716 56.973 55.300 -0.071 0.000 1.119 557 M CB -0.049 32.507 32.600 -0.073 0.000 1.377 557 M HN 0.232 nan 8.290 nan 0.000 0.415 558 A N -0.380 122.338 122.820 -0.170 0.000 2.067 558 A HA -0.122 4.197 4.320 -0.002 0.000 0.219 558 A C 2.058 179.578 177.584 -0.107 0.000 1.158 558 A CA 1.950 53.853 52.037 -0.222 0.000 0.661 558 A CB -0.955 17.636 19.000 -0.681 0.000 0.801 558 A HN 0.712 nan 8.150 nan 0.000 0.452 559 T N -3.920 110.556 114.554 -0.131 0.000 2.990 559 T HA 0.150 4.499 4.350 -0.002 0.000 0.249 559 T C 1.315 176.023 174.700 0.012 0.000 1.039 559 T CA 0.642 62.686 62.100 -0.093 0.000 1.036 559 T CB -0.074 68.565 68.868 -0.382 0.000 0.994 559 T HN 0.508 nan 8.240 nan 0.000 0.489 560 E N 1.223 121.430 120.200 0.012 0.000 2.427 560 E HA 0.059 4.408 4.350 -0.002 0.000 0.196 560 E C 0.468 177.106 176.600 0.063 0.000 1.028 560 E CA 0.378 56.807 56.400 0.048 0.000 0.864 560 E CB 0.093 29.811 29.700 0.029 0.000 0.813 560 E HN 0.738 nan 8.360 nan 0.000 0.514 561 Q N -1.709 118.132 119.800 0.069 0.000 2.495 561 Q HA 0.538 4.877 4.340 -0.002 0.000 0.287 561 Q C 0.065 176.120 176.000 0.093 0.000 1.078 561 Q CA -0.873 54.984 55.803 0.089 0.000 0.793 561 Q CB 1.236 30.042 28.738 0.112 0.000 1.459 561 Q HN -0.050 nan 8.270 nan 0.000 0.422 562 G N 0.080 108.924 108.800 0.074 0.000 4.110 562 G HA2 0.139 4.098 3.960 -0.002 0.000 0.292 562 G HA3 0.139 4.098 3.960 -0.002 0.000 0.292 562 G C -0.578 174.273 174.900 -0.082 0.000 1.020 562 G CA -0.573 44.550 45.100 0.037 0.000 0.808 562 G HN 0.454 nan 8.290 nan 0.000 0.474 563 R N 0.814 121.255 120.500 -0.098 0.000 2.421 563 R HA 0.219 4.558 4.340 -0.002 0.000 0.305 563 R C 1.523 177.621 176.300 -0.338 0.000 1.039 563 R CA -0.280 55.643 56.100 -0.296 0.000 1.003 563 R CB 0.272 30.346 30.300 -0.376 0.000 0.959 563 R HN 0.185 nan 8.270 nan 0.000 0.427 564 M N 3.551 122.901 119.600 -0.416 0.000 2.213 564 M HA -0.219 4.260 4.480 -0.002 0.000 0.263 564 M C 2.018 178.154 176.300 -0.274 0.000 1.062 564 M CA 1.681 56.798 55.300 -0.304 0.000 1.105 564 M CB -0.238 32.146 32.600 -0.360 0.000 1.385 564 M HN 0.622 nan 8.290 nan 0.000 0.417 565 K N 0.428 120.565 120.400 -0.437 0.000 2.160 565 K HA -0.182 4.137 4.320 -0.002 0.000 0.206 565 K C 1.336 177.593 176.600 -0.571 0.000 1.047 565 K CA 1.553 57.536 56.287 -0.507 0.000 0.930 565 K CB 0.095 32.136 32.500 -0.766 0.000 0.720 565 K HN 0.182 nan 8.250 nan 0.000 0.450 566 F N -0.219 119.407 119.950 -0.539 0.000 2.315 566 F HA 0.100 4.626 4.527 -0.002 0.000 0.284 566 F C 2.495 178.211 175.800 -0.140 0.000 1.049 566 F CA 0.551 58.168 58.000 -0.638 0.000 1.323 566 F CB -1.025 37.703 39.000 -0.454 0.000 1.113 566 F HN -0.108 nan 8.300 nan 0.000 0.544 567 T N 0.893 115.515 114.554 0.113 0.000 2.708 567 T HA -0.156 4.192 4.350 -0.002 0.000 0.266 567 T C 2.150 176.987 174.700 0.228 0.000 1.037 567 T CA 1.523 63.719 62.100 0.160 0.000 1.146 567 T CB -0.212 68.750 68.868 0.157 0.000 0.865 567 T HN 0.118 nan 8.240 nan 0.000 0.435 568 R N 0.721 121.297 120.500 0.128 0.000 2.070 568 R HA -0.065 4.274 4.340 -0.002 0.000 0.233 568 R C -0.458 175.935 176.300 0.155 0.000 1.137 568 R CA 1.536 57.709 56.100 0.123 0.000 0.945 568 R CB -1.394 28.923 30.300 0.028 0.000 0.845 568 R HN 0.357 nan 8.270 nan 0.000 0.430 569 P HA -0.103 nan 4.420 nan 0.000 0.219 569 P C 1.147 178.549 177.300 0.170 0.000 1.150 569 P CA 1.106 64.324 63.100 0.196 0.000 0.814 569 P CB 0.017 31.930 31.700 0.355 0.000 0.787 570 L N -2.601 118.743 121.223 0.202 0.000 2.027 570 L HA -0.151 4.188 4.340 -0.002 0.000 0.206 570 L C 2.292 179.149 176.870 -0.023 0.000 1.074 570 L CA 1.452 56.319 54.840 0.045 0.000 0.745 570 L CB -0.858 41.190 42.059 -0.018 0.000 0.898 570 L HN -0.086 nan 8.230 nan 0.000 0.433 571 F N 0.381 120.347 119.950 0.026 0.000 2.186 571 F HA -0.188 4.338 4.527 -0.002 0.000 0.299 571 F C 2.572 178.365 175.800 -0.012 0.000 1.090 571 F CA 1.395 59.390 58.000 -0.008 0.000 1.307 571 F CB -0.291 38.686 39.000 -0.038 0.000 1.019 571 F HN -0.092 nan 8.300 nan 0.000 0.489 572 K N -0.060 120.451 120.400 0.186 0.000 2.057 572 K HA -0.164 4.155 4.320 -0.002 0.000 0.206 572 K C 1.665 178.312 176.600 0.078 0.000 1.050 572 K CA 1.562 57.910 56.287 0.101 0.000 0.935 572 K CB -0.185 32.350 32.500 0.058 0.000 0.715 572 K HN 0.126 nan 8.250 nan 0.000 0.439 573 D N 0.836 121.266 120.400 0.050 0.000 2.117 573 D HA -0.124 4.515 4.640 -0.002 0.000 0.198 573 D C 1.877 178.224 176.300 0.079 0.000 0.982 573 D CA 0.900 54.913 54.000 0.021 0.000 0.828 573 D CB -0.123 40.648 40.800 -0.047 0.000 0.967 573 D HN 0.123 nan 8.370 nan 0.000 0.464 574 L N 0.584 121.854 121.223 0.078 0.000 2.083 574 L HA -0.130 4.209 4.340 -0.002 0.000 0.209 574 L C 2.426 179.391 176.870 0.158 0.000 1.083 574 L CA 1.078 55.986 54.840 0.114 0.000 0.752 574 L CB -0.347 41.726 42.059 0.024 0.000 0.899 574 L HN -0.018 nan 8.230 nan 0.000 0.433 575 A N -0.235 122.680 122.820 0.158 0.000 1.969 575 A HA -0.038 4.281 4.320 -0.002 0.000 0.218 575 A C 2.408 180.173 177.584 0.303 0.000 1.169 575 A CA 1.428 53.599 52.037 0.223 0.000 0.635 575 A CB -0.478 18.623 19.000 0.169 0.000 0.810 575 A HN 0.381 nan 8.150 nan 0.000 0.445 576 A N -1.640 121.295 122.820 0.193 0.000 2.123 576 A HA 0.300 4.619 4.320 -0.002 0.000 0.214 576 A C 0.606 178.314 177.584 0.207 0.000 1.152 576 A CA 0.078 52.204 52.037 0.149 0.000 0.728 576 A CB -0.274 18.774 19.000 0.080 0.000 0.814 576 A HN 0.446 nan 8.150 nan 0.000 0.464 577 F N 2.420 122.394 119.950 0.041 0.000 2.411 577 F HA 0.290 4.816 4.527 -0.002 0.000 0.355 577 F C 1.068 176.900 175.800 0.053 0.000 1.117 577 F CA -1.963 56.051 58.000 0.023 0.000 1.139 577 F CB 0.698 39.700 39.000 0.003 0.000 1.120 577 F HN 0.335 nan 8.300 nan 0.000 0.493 578 D N 4.354 124.854 120.400 0.166 0.000 2.149 578 D HA -0.230 4.409 4.640 -0.002 0.000 0.198 578 D C 1.283 177.451 176.300 -0.220 0.000 0.990 578 D CA 1.406 55.389 54.000 -0.028 0.000 0.839 578 D CB -0.082 40.720 40.800 0.003 0.000 0.948 578 D HN 0.398 nan 8.370 nan 0.000 0.460 579 K N 0.361 120.379 120.400 -0.637 0.000 2.147 579 K HA -0.034 4.284 4.320 -0.002 0.000 0.205 579 K C 2.172 178.465 176.600 -0.512 0.000 1.049 579 K CA 1.360 57.235 56.287 -0.687 0.000 0.936 579 K CB -0.301 31.551 32.500 -1.081 0.000 0.722 579 K HN 0.455 nan 8.250 nan 0.000 0.446 580 S N -0.674 114.718 115.700 -0.513 0.000 2.539 580 S HA 0.028 4.497 4.470 -0.002 0.000 0.221 580 S C 1.634 176.205 174.600 -0.048 0.000 0.987 580 S CA -0.376 57.704 58.200 -0.201 0.000 0.929 580 S CB -0.194 62.946 63.200 -0.099 0.000 0.832 580 S HN 0.279 nan 8.310 nan 0.000 0.492 581 H N 2.720 121.742 119.070 -0.080 0.000 2.265 581 H HA -0.151 4.404 4.556 -0.002 0.000 0.295 581 H C 0.979 176.315 175.328 0.012 0.000 1.084 581 H CA 2.454 58.498 56.048 -0.007 0.000 1.261 581 H CB -0.369 29.388 29.762 -0.007 0.000 1.360 581 H HN 0.334 nan 8.280 nan 0.000 0.487 582 D N 0.270 120.662 120.400 -0.014 0.000 2.117 582 D HA -0.168 4.471 4.640 -0.002 0.000 0.197 582 D C 2.352 178.619 176.300 -0.055 0.000 0.987 582 D CA 1.085 55.062 54.000 -0.038 0.000 0.829 582 D CB -0.491 40.333 40.800 0.040 0.000 0.961 582 D HN 0.537 nan 8.370 nan 0.000 0.460 583 Q N 0.224 120.002 119.800 -0.037 0.000 2.119 583 Q HA -0.100 4.239 4.340 -0.002 0.000 0.201 583 Q C 1.995 178.009 176.000 0.023 0.000 0.972 583 Q CA 1.466 57.263 55.803 -0.011 0.000 0.847 583 Q CB -0.016 28.708 28.738 -0.024 0.000 0.903 583 Q HN 0.213 nan 8.270 nan 0.000 0.433 584 A N -0.208 122.617 122.820 0.008 0.000 1.877 584 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 584 A C 2.202 179.883 177.584 0.161 0.000 1.186 584 A CA 1.569 53.682 52.037 0.127 0.000 0.620 584 A CB -0.820 18.241 19.000 0.101 0.000 0.822 584 A HN 0.300 nan 8.150 nan 0.000 0.443 585 V N 0.111 120.007 119.914 -0.031 0.000 2.295 585 V HA -0.256 3.863 4.120 -0.002 0.000 0.246 585 V C 2.687 178.832 176.094 0.085 0.000 1.049 585 V CA 2.344 64.637 62.300 -0.011 0.000 1.024 585 V CB -0.800 30.939 31.823 -0.140 0.000 0.648 585 V HN 0.703 nan 8.190 nan 0.000 0.447 586 R N -0.235 120.296 120.500 0.053 0.000 2.096 586 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 586 R C 2.272 178.639 176.300 0.112 0.000 1.127 586 R CA 2.105 58.243 56.100 0.065 0.000 0.968 586 R CB -0.463 29.862 30.300 0.041 0.000 0.861 586 R HN 0.531 nan 8.270 nan 0.000 0.440 587 T N 0.084 114.739 114.554 0.168 0.000 2.746 587 T HA -0.193 4.156 4.350 -0.002 0.000 0.267 587 T C 1.316 176.193 174.700 0.297 0.000 1.039 587 T CA 1.518 63.767 62.100 0.248 0.000 1.142 587 T CB -0.463 68.546 68.868 0.233 0.000 0.866 587 T HN 0.421 nan 8.240 nan 0.000 0.444 588 Y N 2.056 122.424 120.300 0.113 0.000 2.181 588 Y HA -0.156 4.393 4.550 -0.002 0.000 0.288 588 Y C 2.550 178.442 175.900 -0.014 0.000 1.146 588 Y CA 1.267 59.305 58.100 -0.103 0.000 1.164 588 Y CB -0.424 37.785 38.460 -0.418 0.000 0.982 588 Y HN 0.050 nan 8.280 nan 0.000 0.515 589 Q N 0.704 120.414 119.800 -0.150 0.000 2.124 589 Q HA -0.206 4.133 4.340 -0.002 0.000 0.202 589 Q C 2.032 177.923 176.000 -0.181 0.000 0.977 589 Q CA 2.076 57.740 55.803 -0.232 0.000 0.850 589 Q CB -0.335 28.378 28.738 -0.042 0.000 0.901 589 Q HN 0.720 nan 8.270 nan 0.000 0.429 590 E N -0.673 119.499 120.200 -0.047 0.000 2.208 590 E HA -0.151 4.198 4.350 -0.002 0.000 0.193 590 E C 1.359 177.892 176.600 -0.112 0.000 0.988 590 E CA 0.775 57.149 56.400 -0.043 0.000 0.828 590 E CB -0.026 29.690 29.700 0.027 0.000 0.763 590 E HN 0.487 nan 8.360 nan 0.000 0.478 591 H N 0.114 119.111 119.070 -0.121 0.000 2.648 591 H HA 0.061 4.615 4.556 -0.002 0.000 0.265 591 H C 1.757 176.985 175.328 -0.166 0.000 0.961 591 H CA 0.611 56.607 56.048 -0.087 0.000 1.185 591 H CB 0.341 30.114 29.762 0.019 0.000 1.449 591 H HN 0.080 nan 8.280 nan 0.000 0.523 592 K N 0.400 120.640 120.400 -0.268 0.000 2.152 592 K HA -0.048 4.271 4.320 -0.002 0.000 0.206 592 K C 2.063 178.576 176.600 -0.145 0.000 1.048 592 K CA 1.377 57.467 56.287 -0.328 0.000 0.933 592 K CB -0.157 31.913 32.500 -0.717 0.000 0.721 592 K HN 0.160 nan 8.250 nan 0.000 0.447 593 A N 1.705 124.449 122.820 -0.126 0.000 2.015 593 A HA -0.109 4.209 4.320 -0.002 0.000 0.219 593 A C 2.124 179.686 177.584 -0.037 0.000 1.163 593 A CA 1.642 53.634 52.037 -0.075 0.000 0.646 593 A CB -0.458 18.497 19.000 -0.075 0.000 0.806 593 A HN 0.587 nan 8.150 nan 0.000 0.448 594 S N -1.768 113.917 115.700 -0.024 0.000 2.540 594 S HA 0.391 4.860 4.470 -0.002 0.000 0.218 594 S C 0.675 175.312 174.600 0.062 0.000 0.977 594 S CA -0.365 57.846 58.200 0.018 0.000 0.918 594 S CB -0.344 62.860 63.200 0.007 0.000 0.806 594 S HN 0.424 nan 8.310 nan 0.000 0.496 595 M N 1.895 121.530 119.600 0.060 0.000 2.197 595 M HA 0.280 4.759 4.480 -0.002 0.000 0.305 595 M C 0.712 177.064 176.300 0.087 0.000 1.162 595 M CA -0.550 54.811 55.300 0.103 0.000 1.099 595 M CB 0.321 32.985 32.600 0.106 0.000 1.430 595 M HN 0.284 nan 8.290 nan 0.000 0.481 596 H N 3.101 122.193 119.070 0.036 0.000 2.815 596 H HA 0.072 4.627 4.556 -0.002 0.000 0.350 596 H C -1.869 173.441 175.328 -0.030 0.000 1.080 596 H CA -1.050 54.995 56.048 -0.004 0.000 1.433 596 H CB 0.979 30.749 29.762 0.014 0.000 1.432 596 H HN 0.354 nan 8.280 nan 0.000 0.592 597 P HA -0.176 nan 4.420 nan 0.000 0.216 597 P C 1.558 178.853 177.300 -0.009 0.000 1.150 597 P CA 0.935 63.940 63.100 -0.157 0.000 0.843 597 P CB 0.353 31.903 31.700 -0.250 0.000 0.787 598 V N 0.207 120.195 119.914 0.122 0.000 2.407 598 V HA -0.145 3.974 4.120 -0.002 0.000 0.245 598 V C 2.671 178.798 176.094 0.054 0.000 1.041 598 V CA 2.416 64.764 62.300 0.080 0.000 1.040 598 V CB -1.827 30.017 31.823 0.034 0.000 0.671 598 V HN 0.167 nan 8.190 nan 0.000 0.455 599 T N 0.763 115.368 114.554 0.084 0.000 2.746 599 T HA -0.176 4.173 4.350 -0.002 0.000 0.267 599 T C 2.098 176.832 174.700 0.056 0.000 1.039 599 T CA 1.642 63.747 62.100 0.008 0.000 1.142 599 T CB -0.466 68.405 68.868 0.005 0.000 0.866 599 T HN 0.546 nan 8.240 nan 0.000 0.444 600 A N 2.028 124.910 122.820 0.104 0.000 1.908 600 A HA -0.085 4.234 4.320 -0.002 0.000 0.218 600 A C 2.313 179.987 177.584 0.150 0.000 1.181 600 A CA 1.704 53.841 52.037 0.166 0.000 0.627 600 A CB -0.708 18.348 19.000 0.093 0.000 0.818 600 A HN 0.406 nan 8.150 nan 0.000 0.445 601 M N -0.330 119.316 119.600 0.076 0.000 2.086 601 M HA -0.081 4.398 4.480 -0.002 0.000 0.261 601 M C 2.000 178.301 176.300 0.002 0.000 1.067 601 M CA 1.741 57.071 55.300 0.050 0.000 1.116 601 M CB -0.699 31.927 32.600 0.043 0.000 1.348 601 M HN 0.434 nan 8.290 nan 0.000 0.407 602 L N -0.577 120.637 121.223 -0.016 0.000 2.056 602 L HA -0.169 4.170 4.340 -0.002 0.000 0.207 602 L C 2.407 179.210 176.870 -0.113 0.000 1.078 602 L CA 0.658 55.470 54.840 -0.045 0.000 0.749 602 L CB -0.691 41.346 42.059 -0.036 0.000 0.901 602 L HN 0.096 nan 8.230 nan 0.000 0.433 603 V N 0.137 119.951 119.914 -0.167 0.000 2.427 603 V HA -0.177 3.942 4.120 -0.002 0.000 0.248 603 V C 2.578 178.293 176.094 -0.631 0.000 1.051 603 V CA 1.886 63.963 62.300 -0.372 0.000 1.048 603 V CB -1.094 30.459 31.823 -0.450 0.000 0.666 603 V HN 0.567 nan 8.190 nan 0.000 0.456 604 G N -0.622 107.844 108.800 -0.557 0.000 2.408 604 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.217 604 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.217 604 G C 1.652 176.406 174.900 -0.243 0.000 1.150 604 G CA 0.959 45.761 45.100 -0.496 0.000 0.776 604 G HN 0.479 nan 8.290 nan 0.000 0.542 605 K N 0.180 120.492 120.400 -0.146 0.000 2.062 605 K HA -0.075 4.244 4.320 -0.002 0.000 0.205 605 K C 2.026 178.573 176.600 -0.088 0.000 1.051 605 K CA 1.313 57.556 56.287 -0.075 0.000 0.941 605 K CB -0.034 32.448 32.500 -0.030 0.000 0.719 605 K HN 0.082 nan 8.250 nan 0.000 0.440 606 D N 0.837 121.164 120.400 -0.121 0.000 2.123 606 D HA -0.167 4.471 4.640 -0.002 0.000 0.196 606 D C 1.731 177.970 176.300 -0.102 0.000 0.992 606 D CA 1.091 55.034 54.000 -0.094 0.000 0.833 606 D CB -0.003 40.740 40.800 -0.095 0.000 0.954 606 D HN 0.257 nan 8.370 nan 0.000 0.455 607 L N -0.182 120.922 121.223 -0.198 0.000 2.554 607 L HA 0.055 4.394 4.340 -0.002 0.000 0.226 607 L C 0.373 177.191 176.870 -0.086 0.000 1.137 607 L CA 0.175 54.916 54.840 -0.166 0.000 0.863 607 L CB -0.121 41.736 42.059 -0.336 0.000 0.985 607 L HN -0.023 nan 8.230 nan 0.000 0.451 608 K N 0.026 120.377 120.400 -0.082 0.000 3.117 608 K HA -0.139 4.180 4.320 -0.002 0.000 0.269 608 K C -0.227 176.363 176.600 -0.016 0.000 1.098 608 K CA 0.449 56.719 56.287 -0.029 0.000 0.785 608 K CB -2.107 30.397 32.500 0.007 0.000 1.242 608 K HN 0.298 nan 8.250 nan 0.000 0.491 609 V N -1.649 118.240 119.914 -0.042 0.000 2.509 609 V HA 0.586 4.705 4.120 -0.002 0.000 0.284 609 V C 0.620 176.737 176.094 0.038 0.000 1.047 609 V CA -0.485 61.825 62.300 0.017 0.000 0.952 609 V CB 1.462 33.325 31.823 0.067 0.000 0.988 609 V HN 0.411 nan 8.190 nan 0.000 0.469 610 D N 0.000 120.427 120.400 0.045 0.000 6.856 610 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 610 D CA 0.000 54.025 54.000 0.041 0.000 0.868 610 D CB 0.000 40.829 40.800 0.049 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683