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 3b7u_1_X 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 0.000 177.312 177.300 0.020 0.000 1.155 1 P CA 0.000 63.112 63.100 0.021 0.000 0.800 1 P CB 0.000 31.712 31.700 0.020 0.000 0.726 2 E N 2.191 122.405 120.200 0.024 0.000 2.089 2 E HA 0.564 4.910 4.350 -0.007 0.000 0.284 2 E C -1.139 175.481 176.600 0.034 0.000 1.023 2 E CA -0.499 55.916 56.400 0.024 0.000 0.819 2 E CB 0.494 30.207 29.700 0.022 0.000 1.076 2 E HN 0.542 nan 8.360 nan 0.000 0.396 3 I N 5.788 126.377 120.570 0.031 0.000 2.497 3 I HA 0.330 4.496 4.170 -0.007 0.000 0.284 3 I C -1.330 174.808 176.117 0.036 0.000 1.060 3 I CA -0.729 60.598 61.300 0.044 0.000 1.071 3 I CB 1.281 39.310 38.000 0.048 0.000 1.216 3 I HN 0.339 nan 8.210 nan 0.000 0.442 4 V N 2.861 122.801 119.914 0.044 0.000 2.919 4 V HA 0.623 4.739 4.120 -0.007 0.000 0.316 4 V C -0.396 175.727 176.094 0.049 0.000 1.077 4 V CA -0.763 61.559 62.300 0.037 0.000 0.977 4 V CB 1.783 33.625 31.823 0.033 0.000 1.039 4 V HN 0.633 nan 8.190 nan 0.000 0.441 5 D N 2.200 122.625 120.400 0.041 0.000 2.393 5 D HA 0.186 4.822 4.640 -0.007 0.000 0.232 5 D C 1.396 177.738 176.300 0.071 0.000 1.192 5 D CA 0.351 54.383 54.000 0.053 0.000 0.882 5 D CB 1.563 42.385 40.800 0.036 0.000 1.038 5 D HN 0.902 nan 8.370 nan 0.000 0.499 6 T N -0.191 114.415 114.554 0.086 0.000 3.113 6 T HA -0.075 4.271 4.350 -0.007 0.000 0.263 6 T C 1.725 176.489 174.700 0.106 0.000 1.143 6 T CA 0.180 62.331 62.100 0.085 0.000 1.090 6 T CB -0.369 68.550 68.868 0.086 0.000 0.922 6 T HN 0.420 nan 8.240 nan 0.000 0.521 7 C N 1.437 120.824 119.300 0.144 0.000 2.697 7 C HA 0.485 4.941 4.460 -0.007 0.000 0.267 7 C C 1.322 176.381 174.990 0.115 0.000 1.278 7 C CA -0.659 58.463 59.018 0.174 0.000 1.708 7 C CB -1.244 26.654 27.740 0.264 0.000 1.860 7 C HN 0.596 nan 8.230 nan 0.000 0.589 8 S N -0.032 115.719 115.700 0.085 0.000 2.482 8 S HA 0.623 5.089 4.470 -0.007 0.000 0.303 8 S C 0.284 174.897 174.600 0.023 0.000 1.091 8 S CA -0.568 57.664 58.200 0.054 0.000 1.057 8 S CB 0.632 63.869 63.200 0.061 0.000 1.031 8 S HN 0.415 nan 8.310 nan 0.000 0.485 9 L N 3.174 124.399 121.223 0.003 0.000 2.607 9 L HA 0.394 4.730 4.340 -0.007 0.000 0.228 9 L C 1.294 178.165 176.870 0.000 0.000 1.123 9 L CA -0.218 54.618 54.840 -0.006 0.000 0.890 9 L CB -0.546 41.499 42.059 -0.022 0.000 1.103 9 L HN 0.662 nan 8.230 nan 0.000 0.468 10 A N 0.106 122.929 122.820 0.005 0.000 2.346 10 A HA 0.352 4.668 4.320 -0.007 0.000 0.252 10 A C 0.641 178.229 177.584 0.008 0.000 1.089 10 A CA -0.187 51.853 52.037 0.004 0.000 0.797 10 A CB 0.232 19.233 19.000 0.003 0.000 1.047 10 A HN 0.181 nan 8.150 nan 0.000 0.494 11 S N 2.543 118.248 115.700 0.007 0.000 2.546 11 S HA 0.257 4.723 4.470 -0.007 0.000 0.290 11 S C -1.897 172.709 174.600 0.009 0.000 1.290 11 S CA -0.323 57.883 58.200 0.009 0.000 1.069 11 S CB -0.074 63.131 63.200 0.008 0.000 0.846 11 S HN 0.655 nan 8.310 nan 0.000 0.495 12 P HA 0.257 nan 4.420 nan 0.000 0.276 12 P C 0.232 177.536 177.300 0.007 0.000 1.261 12 P CA -0.499 62.607 63.100 0.010 0.000 0.800 12 P CB 0.780 32.487 31.700 0.011 0.000 1.066 13 A N 1.164 123.986 122.820 0.004 0.000 2.125 13 A HA -0.138 4.178 4.320 -0.007 0.000 0.219 13 A C 2.092 179.678 177.584 0.004 0.000 1.156 13 A CA 1.967 54.006 52.037 0.003 0.000 0.671 13 A CB -1.599 17.400 19.000 -0.002 0.000 0.794 13 A HN 0.662 nan 8.150 nan 0.000 0.459 14 S N -1.262 114.441 115.700 0.005 0.000 2.522 14 S HA 0.040 4.506 4.470 -0.007 0.000 0.227 14 S C 1.422 176.026 174.600 0.006 0.000 0.986 14 S CA 1.052 59.255 58.200 0.005 0.000 0.929 14 S CB -0.085 63.118 63.200 0.007 0.000 0.769 14 S HN 0.213 nan 8.310 nan 0.000 0.529 15 V N 0.873 120.791 119.914 0.007 0.000 2.690 15 V HA 0.267 4.383 4.120 -0.007 0.000 0.240 15 V C 1.096 177.194 176.094 0.007 0.000 1.078 15 V CA 0.746 63.050 62.300 0.007 0.000 1.102 15 V CB 0.179 32.007 31.823 0.008 0.000 0.800 15 V HN 0.916 nan 8.190 nan 0.000 0.479 16 C N 0.583 119.887 119.300 0.007 0.000 3.284 16 C HA 0.805 5.261 4.460 -0.007 0.000 0.338 16 C C -1.140 173.854 174.990 0.008 0.000 1.237 16 C CA -1.290 57.733 59.018 0.008 0.000 1.276 16 C CB 1.484 29.229 27.740 0.009 0.000 1.601 16 C HN 0.614 nan 8.230 nan 0.000 0.494 17 R N 0.993 121.499 120.500 0.009 0.000 2.574 17 R HA 0.682 5.018 4.340 -0.007 0.000 0.288 17 R C -0.858 175.451 176.300 0.015 0.000 1.004 17 R CA -0.396 55.711 56.100 0.010 0.000 0.895 17 R CB 1.277 31.582 30.300 0.008 0.000 1.191 17 R HN 0.696 nan 8.270 nan 0.000 0.444 18 T N 3.054 117.617 114.554 0.015 0.000 2.888 18 T HA 0.088 4.434 4.350 -0.007 0.000 0.301 18 T C 0.716 175.437 174.700 0.036 0.000 1.001 18 T CA -0.272 61.842 62.100 0.023 0.000 1.147 18 T CB 0.630 69.504 68.868 0.010 0.000 0.931 18 T HN 0.407 nan 8.240 nan 0.000 0.541 19 K N 1.396 121.831 120.400 0.058 0.000 2.365 19 K HA 0.177 4.493 4.320 -0.007 0.000 0.195 19 K C 0.364 177.054 176.600 0.150 0.000 1.079 19 K CA 0.486 56.819 56.287 0.078 0.000 0.979 19 K CB 0.260 32.798 32.500 0.064 0.000 0.929 19 K HN 0.756 nan 8.250 nan 0.000 0.523 20 H N -1.084 118.009 119.070 0.038 0.000 3.085 20 H HA 0.468 5.020 4.556 -0.007 0.000 0.356 20 H C -1.997 173.381 175.328 0.084 0.000 1.178 20 H CA -0.975 55.113 56.048 0.068 0.000 1.214 20 H CB 1.297 31.091 29.762 0.055 0.000 1.881 20 H HN -0.094 nan 8.280 nan 0.000 0.538 21 L N 4.565 125.557 121.223 -0.385 0.000 2.333 21 L HA 0.394 4.730 4.340 -0.007 0.000 0.280 21 L C -1.433 175.332 176.870 -0.175 0.000 1.004 21 L CA -0.328 54.405 54.840 -0.179 0.000 0.820 21 L CB 1.234 43.204 42.059 -0.149 0.000 1.247 21 L HN 0.826 nan 8.230 nan 0.000 0.416 22 H N 6.351 125.425 119.070 0.007 0.000 2.595 22 H HA 0.359 4.911 4.556 -0.007 0.000 0.313 22 H C -1.658 173.728 175.328 0.097 0.000 1.023 22 H CA -0.753 55.365 56.048 0.116 0.000 1.218 22 H CB 1.365 31.258 29.762 0.217 0.000 1.403 22 H HN 0.645 nan 8.280 nan 0.000 0.477 23 L N 6.457 127.582 121.223 -0.164 0.000 2.282 23 L HA 0.453 4.789 4.340 -0.007 0.000 0.288 23 L C -0.571 176.171 176.870 -0.213 0.000 1.033 23 L CA -0.712 54.054 54.840 -0.125 0.000 0.807 23 L CB 0.771 42.807 42.059 -0.038 0.000 1.209 23 L HN 0.687 nan 8.230 nan 0.000 0.423 24 R N 4.662 125.067 120.500 -0.159 0.000 2.422 24 R HA 0.451 4.787 4.340 -0.007 0.000 0.307 24 R C -1.010 175.258 176.300 -0.053 0.000 1.004 24 R CA -0.467 55.565 56.100 -0.113 0.000 0.882 24 R CB 1.356 31.577 30.300 -0.131 0.000 1.164 24 R HN 0.771 nan 8.270 nan 0.000 0.489 25 C N -0.852 118.436 119.300 -0.019 0.000 3.154 25 C HA 0.815 5.271 4.460 -0.007 0.000 0.312 25 C C -0.247 174.733 174.990 -0.017 0.000 1.349 25 C CA -0.995 57.993 59.018 -0.051 0.000 1.518 25 C CB 1.972 29.692 27.740 -0.033 0.000 1.934 25 C HN 0.627 nan 8.230 nan 0.000 0.462 26 S N -0.028 115.647 115.700 -0.042 0.000 2.521 26 S HA 0.712 5.178 4.470 -0.007 0.000 0.295 26 S C -1.087 173.508 174.600 -0.008 0.000 1.098 26 S CA -0.333 57.863 58.200 -0.006 0.000 0.999 26 S CB 1.319 64.510 63.200 -0.015 0.000 1.034 26 S HN 0.961 nan 8.310 nan 0.000 0.483 27 V N 4.655 124.580 119.914 0.017 0.000 2.348 27 V HA 0.344 4.460 4.120 -0.007 0.000 0.270 27 V C -0.175 175.911 176.094 -0.014 0.000 1.037 27 V CA -0.597 61.695 62.300 -0.013 0.000 0.872 27 V CB 1.135 32.900 31.823 -0.097 0.000 1.002 27 V HN 0.833 nan 8.190 nan 0.000 0.464 28 D N 4.019 124.394 120.400 -0.042 0.000 2.467 28 D HA 0.294 4.930 4.640 -0.007 0.000 0.220 28 D C 0.622 176.811 176.300 -0.184 0.000 1.103 28 D CA -0.407 53.554 54.000 -0.066 0.000 0.886 28 D CB 0.754 41.496 40.800 -0.097 0.000 1.025 28 D HN 0.353 nan 8.370 nan 0.000 0.514 29 F N 1.031 121.002 119.950 0.034 0.000 2.293 29 F HA -0.110 4.413 4.527 -0.007 0.000 0.300 29 F C 2.484 178.208 175.800 -0.127 0.000 1.086 29 F CA 0.896 58.903 58.000 0.012 0.000 1.375 29 F CB -0.100 38.998 39.000 0.163 0.000 1.045 29 F HN 0.296 nan 8.300 nan 0.000 0.516 30 T N -0.736 113.854 114.554 0.060 0.000 2.904 30 T HA -0.098 4.248 4.350 -0.007 0.000 0.267 30 T C 1.934 176.571 174.700 -0.105 0.000 1.059 30 T CA 1.138 63.236 62.100 -0.004 0.000 1.137 30 T CB -0.092 68.779 68.868 0.006 0.000 0.879 30 T HN 0.208 nan 8.240 nan 0.000 0.467 31 R N -0.140 120.248 120.500 -0.187 0.000 2.335 31 R HA 0.311 4.647 4.340 -0.007 0.000 0.210 31 R C 0.163 176.189 176.300 -0.458 0.000 0.892 31 R CA -0.181 55.770 56.100 -0.249 0.000 1.048 31 R CB 0.419 30.607 30.300 -0.186 0.000 1.067 31 R HN 0.140 nan 8.270 nan 0.000 0.524 32 R N 1.325 121.342 120.500 -0.806 0.000 3.333 32 R HA -0.136 4.199 4.340 -0.007 0.000 0.256 32 R C -0.756 174.848 176.300 -1.160 0.000 1.010 32 R CA 1.153 56.191 56.100 -1.770 0.000 0.680 32 R CB -2.125 27.328 30.300 -1.412 0.000 1.102 32 R HN 0.354 nan 8.270 nan 0.000 0.440 33 T N -2.558 111.611 114.554 -0.642 0.000 2.906 33 T HA 0.689 5.035 4.350 -0.007 0.000 0.295 33 T C -0.201 174.532 174.700 0.056 0.000 1.061 33 T CA -1.100 60.909 62.100 -0.151 0.000 1.000 33 T CB 2.619 71.406 68.868 -0.137 0.000 1.103 33 T HN 0.224 nan 8.240 nan 0.000 0.486 34 L N 1.562 122.860 121.223 0.125 0.000 2.322 34 L HA 0.746 5.082 4.340 -0.007 0.000 0.281 34 L C -1.000 175.803 176.870 -0.110 0.000 1.014 34 L CA -0.297 54.582 54.840 0.064 0.000 0.815 34 L CB 1.766 43.904 42.059 0.132 0.000 1.247 34 L HN 0.924 nan 8.230 nan 0.000 0.421 35 T N 3.806 118.233 114.554 -0.212 0.000 2.848 35 T HA 0.853 5.199 4.350 -0.007 0.000 0.285 35 T C -0.066 174.352 174.700 -0.469 0.000 0.995 35 T CA -0.173 61.694 62.100 -0.388 0.000 0.970 35 T CB 1.749 70.481 68.868 -0.228 0.000 0.976 35 T HN 0.971 nan 8.240 nan 0.000 0.441 36 G N 1.587 109.910 108.800 -0.795 0.000 2.393 36 G HA2 0.569 4.525 3.960 -0.007 0.000 0.264 36 G HA3 0.569 4.525 3.960 -0.007 0.000 0.264 36 G C -1.123 173.521 174.900 -0.426 0.000 1.221 36 G CA -0.277 44.541 45.100 -0.469 0.000 0.912 36 G HN 0.902 nan 8.290 nan 0.000 0.483 37 T N -1.913 112.589 114.554 -0.088 0.000 2.841 37 T HA 0.769 5.115 4.350 -0.007 0.000 0.283 37 T C -0.320 174.530 174.700 0.251 0.000 1.000 37 T CA 0.188 62.360 62.100 0.119 0.000 0.977 37 T CB 1.852 70.746 68.868 0.043 0.000 0.979 37 T HN 1.834 nan 8.240 nan 0.000 0.446 38 A N 2.258 125.257 122.820 0.298 0.000 2.256 38 A HA 0.782 5.098 4.320 -0.007 0.000 0.317 38 A C 0.380 178.000 177.584 0.059 0.000 1.318 38 A CA -0.889 51.208 52.037 0.099 0.000 0.894 38 A CB -0.080 18.861 19.000 -0.098 0.000 1.165 38 A HN 1.374 nan 8.150 nan 0.000 0.525 39 A N 3.810 126.673 122.820 0.071 0.000 2.260 39 A HA 0.614 4.930 4.320 -0.007 0.000 0.312 39 A C -0.296 177.345 177.584 0.096 0.000 1.321 39 A CA -0.311 51.785 52.037 0.098 0.000 0.928 39 A CB -0.146 18.950 19.000 0.160 0.000 1.158 39 A HN 0.808 nan 8.150 nan 0.000 0.542 40 L N 2.870 124.127 121.223 0.057 0.000 2.264 40 L HA 0.327 4.663 4.340 -0.007 0.000 0.289 40 L C 0.184 177.098 176.870 0.073 0.000 1.044 40 L CA -0.326 54.543 54.840 0.049 0.000 0.807 40 L CB 1.396 43.459 42.059 0.007 0.000 1.192 40 L HN 0.581 nan 8.230 nan 0.000 0.425 41 T N 3.204 117.822 114.554 0.108 0.000 2.749 41 T HA 0.399 4.745 4.350 -0.007 0.000 0.295 41 T C 0.024 174.762 174.700 0.064 0.000 0.936 41 T CA -0.261 61.893 62.100 0.091 0.000 1.060 41 T CB 1.153 70.092 68.868 0.119 0.000 0.904 41 T HN 0.212 nan 8.240 nan 0.000 0.500 42 V N 4.213 124.151 119.914 0.041 0.000 2.540 42 V HA 0.432 4.548 4.120 -0.007 0.000 0.302 42 V C -0.130 175.977 176.094 0.022 0.000 1.035 42 V CA -0.951 61.366 62.300 0.029 0.000 0.873 42 V CB 1.937 33.773 31.823 0.021 0.000 0.992 42 V HN 0.808 nan 8.190 nan 0.000 0.428 43 Q N 2.647 122.458 119.800 0.018 0.000 2.325 43 Q HA 0.474 4.810 4.340 -0.007 0.000 0.262 43 Q C -0.074 175.931 176.000 0.009 0.000 0.968 43 Q CA -0.211 55.599 55.803 0.012 0.000 0.877 43 Q CB 1.600 30.343 28.738 0.008 0.000 1.253 43 Q HN 0.826 nan 8.270 nan 0.000 0.448 44 S N 2.909 118.614 115.700 0.008 0.000 2.562 44 S HA 0.041 4.507 4.470 -0.007 0.000 0.281 44 S C 0.386 174.989 174.600 0.005 0.000 1.333 44 S CA -0.015 58.190 58.200 0.008 0.000 1.052 44 S CB 0.705 63.910 63.200 0.007 0.000 0.884 44 S HN 0.765 nan 8.310 nan 0.000 0.506 45 Q N 2.141 121.944 119.800 0.006 0.000 2.194 45 Q HA 0.355 4.691 4.340 -0.007 0.000 0.214 45 Q C -0.393 175.610 176.000 0.004 0.000 0.838 45 Q CA 0.267 56.072 55.803 0.004 0.000 0.972 45 Q CB 0.578 29.319 28.738 0.005 0.000 1.131 45 Q HN 0.725 nan 8.270 nan 0.000 0.498 46 E N 0.392 120.595 120.200 0.005 0.000 2.343 46 E HA 0.227 4.573 4.350 -0.007 0.000 0.270 46 E C -1.418 175.185 176.600 0.005 0.000 0.895 46 E CA -0.658 55.745 56.400 0.005 0.000 0.767 46 E CB 1.744 31.448 29.700 0.006 0.000 1.248 46 E HN -0.070 nan 8.360 nan 0.000 0.440 47 D N 0.846 121.249 120.400 0.004 0.000 2.414 47 D HA 0.012 4.648 4.640 -0.007 0.000 0.242 47 D C -0.010 176.294 176.300 0.005 0.000 1.129 47 D CA 0.553 54.556 54.000 0.004 0.000 0.885 47 D CB 0.380 41.182 40.800 0.004 0.000 1.198 47 D HN 0.456 nan 8.370 nan 0.000 0.437 48 N N 1.584 120.287 118.700 0.005 0.000 2.740 48 N HA -0.211 4.525 4.740 -0.007 0.000 0.248 48 N C -1.382 174.132 175.510 0.007 0.000 1.062 48 N CA 0.164 53.217 53.050 0.006 0.000 0.704 48 N CB -1.173 37.318 38.487 0.005 0.000 0.968 48 N HN 0.391 nan 8.380 nan 0.000 0.547 49 L N 0.574 121.802 121.223 0.008 0.000 2.313 49 L HA 0.368 4.704 4.340 -0.007 0.000 0.282 49 L C 1.246 178.122 176.870 0.011 0.000 1.092 49 L CA 0.408 55.254 54.840 0.010 0.000 0.831 49 L CB 0.680 42.744 42.059 0.010 0.000 1.159 49 L HN 0.261 nan 8.230 nan 0.000 0.442 50 R N 1.883 122.390 120.500 0.012 0.000 2.469 50 R HA 0.280 4.616 4.340 -0.007 0.000 0.250 50 R C -0.415 175.895 176.300 0.018 0.000 0.909 50 R CA 0.442 56.550 56.100 0.014 0.000 1.050 50 R CB 0.513 30.820 30.300 0.012 0.000 1.256 50 R HN 0.770 nan 8.270 nan 0.000 0.550 51 S N 0.260 115.971 115.700 0.018 0.000 2.579 51 S HA 0.692 5.157 4.470 -0.007 0.000 0.272 51 S C -1.007 173.605 174.600 0.020 0.000 1.141 51 S CA -1.057 57.156 58.200 0.022 0.000 0.843 51 S CB 1.863 65.076 63.200 0.022 0.000 1.122 51 S HN 0.119 nan 8.310 nan 0.000 0.468 52 L N -1.177 120.059 121.223 0.023 0.000 2.409 52 L HA 1.000 5.336 4.340 -0.007 0.000 0.255 52 L C -1.437 175.444 176.870 0.019 0.000 1.027 52 L CA -1.154 53.697 54.840 0.018 0.000 0.834 52 L CB 1.417 43.484 42.059 0.014 0.000 1.426 52 L HN 0.514 nan 8.230 nan 0.000 0.411 53 V N 1.714 121.636 119.914 0.013 0.000 2.555 53 V HA 0.616 4.732 4.120 -0.007 0.000 0.302 53 V C -0.188 175.907 176.094 0.001 0.000 1.038 53 V CA -0.383 61.924 62.300 0.011 0.000 0.887 53 V CB 1.620 33.449 31.823 0.011 0.000 0.991 53 V HN 0.642 nan 8.190 nan 0.000 0.434 54 L N 2.624 123.844 121.223 -0.007 0.000 2.333 54 L HA 0.625 4.961 4.340 -0.007 0.000 0.269 54 L C -0.428 176.427 176.870 -0.025 0.000 1.010 54 L CA -0.847 53.979 54.840 -0.023 0.000 0.818 54 L CB 2.023 44.055 42.059 -0.045 0.000 1.306 54 L HN 0.527 nan 8.230 nan 0.000 0.430 55 D N 1.260 121.641 120.400 -0.030 0.000 2.302 55 D HA 0.378 5.014 4.640 -0.007 0.000 0.248 55 D C -0.180 176.090 176.300 -0.050 0.000 1.094 55 D CA 0.297 54.278 54.000 -0.031 0.000 0.897 55 D CB 1.863 42.651 40.800 -0.020 0.000 1.200 55 D HN 0.615 nan 8.370 nan 0.000 0.429 56 T N -1.289 113.241 114.554 -0.040 0.000 2.900 56 T HA 0.544 4.890 4.350 -0.007 0.000 0.303 56 T C -0.721 173.966 174.700 -0.021 0.000 1.142 56 T CA -1.091 60.981 62.100 -0.046 0.000 1.007 56 T CB 2.550 71.394 68.868 -0.041 0.000 1.156 56 T HN 0.281 nan 8.240 nan 0.000 0.490 57 K N 1.453 121.848 120.400 -0.010 0.000 2.637 57 K HA 0.363 4.679 4.320 -0.007 0.000 0.248 57 K C -0.967 175.648 176.600 0.026 0.000 0.971 57 K CA -0.479 55.816 56.287 0.013 0.000 0.858 57 K CB 0.632 33.151 32.500 0.032 0.000 1.170 57 K HN 0.787 nan 8.250 nan 0.000 0.443 58 D N 2.697 123.113 120.400 0.026 0.000 2.800 58 D HA -0.186 4.450 4.640 -0.007 0.000 0.232 58 D C -0.521 175.806 176.300 0.045 0.000 1.137 58 D CA 0.973 54.993 54.000 0.033 0.000 0.718 58 D CB -0.767 40.054 40.800 0.035 0.000 1.084 58 D HN 0.453 nan 8.370 nan 0.000 0.432 59 L N 0.141 121.392 121.223 0.045 0.000 2.334 59 L HA 0.394 4.730 4.340 -0.007 0.000 0.275 59 L C 0.886 177.801 176.870 0.074 0.000 1.036 59 L CA -0.414 54.471 54.840 0.076 0.000 0.807 59 L CB 1.803 43.894 42.059 0.054 0.000 1.231 59 L HN -0.212 nan 8.230 nan 0.000 0.438 60 T N 3.660 118.269 114.554 0.092 0.000 2.749 60 T HA 0.458 4.804 4.350 -0.007 0.000 0.287 60 T C -0.067 174.686 174.700 0.088 0.000 0.970 60 T CA -0.365 61.779 62.100 0.074 0.000 0.980 60 T CB 0.735 69.631 68.868 0.047 0.000 0.924 60 T HN 0.144 nan 8.240 nan 0.000 0.456 61 I N 3.473 124.087 120.570 0.073 0.000 2.315 61 I HA 0.270 4.436 4.170 -0.007 0.000 0.291 61 I C 1.343 177.498 176.117 0.063 0.000 1.006 61 I CA -0.489 60.822 61.300 0.018 0.000 1.265 61 I CB 1.301 39.217 38.000 -0.141 0.000 1.387 61 I HN 0.803 nan 8.210 nan 0.000 0.475 62 E N 6.702 126.925 120.200 0.037 0.000 2.140 62 E HA 0.021 4.367 4.350 -0.007 0.000 0.191 62 E C 0.098 176.756 176.600 0.096 0.000 0.973 62 E CA 0.697 57.133 56.400 0.061 0.000 0.829 62 E CB 0.666 30.378 29.700 0.020 0.000 0.781 62 E HN 0.697 nan 8.360 nan 0.000 0.466 63 K N -1.607 118.806 120.400 0.023 0.000 2.736 63 K HA 0.320 4.635 4.320 -0.007 0.000 0.290 63 K C -1.821 174.746 176.600 -0.055 0.000 1.033 63 K CA -0.869 55.457 56.287 0.064 0.000 0.852 63 K CB 1.401 33.955 32.500 0.091 0.000 1.494 63 K HN -0.100 nan 8.250 nan 0.000 0.378 64 V N 1.388 121.306 119.914 0.007 0.000 2.577 64 V HA 0.481 4.597 4.120 -0.007 0.000 0.303 64 V C -1.063 175.061 176.094 0.050 0.000 1.042 64 V CA -0.788 61.503 62.300 -0.015 0.000 0.872 64 V CB 1.745 33.538 31.823 -0.050 0.000 0.998 64 V HN 0.559 nan 8.190 nan 0.000 0.423 65 V N 6.445 126.381 119.914 0.036 0.000 2.487 65 V HA 0.584 4.700 4.120 -0.007 0.000 0.298 65 V C -0.442 175.676 176.094 0.039 0.000 1.028 65 V CA -0.349 61.976 62.300 0.043 0.000 0.860 65 V CB 1.865 33.712 31.823 0.040 0.000 0.991 65 V HN 0.714 nan 8.190 nan 0.000 0.427 66 I N 4.535 125.129 120.570 0.040 0.000 2.498 66 I HA 0.499 4.664 4.170 -0.007 0.000 0.290 66 I C 0.041 176.177 176.117 0.031 0.000 1.032 66 I CA -0.693 60.628 61.300 0.035 0.000 1.073 66 I CB 2.028 40.049 38.000 0.034 0.000 1.251 66 I HN 0.629 nan 8.210 nan 0.000 0.426 67 N N 4.589 123.306 118.700 0.028 0.000 2.735 67 N HA -0.192 4.543 4.740 -0.007 0.000 0.248 67 N C 0.873 176.397 175.510 0.024 0.000 1.083 67 N CA 1.330 54.394 53.050 0.023 0.000 0.703 67 N CB -1.087 37.412 38.487 0.020 0.000 1.005 67 N HN 1.201 nan 8.380 nan 0.000 0.550 68 G N -1.775 107.041 108.800 0.027 0.000 2.184 68 G HA2 -0.329 3.627 3.960 -0.007 0.000 0.264 68 G HA3 -0.329 3.627 3.960 -0.007 0.000 0.264 68 G C -0.186 174.730 174.900 0.027 0.000 0.975 68 G CA 0.848 45.963 45.100 0.026 0.000 0.642 68 G HN 0.502 nan 8.290 nan 0.000 0.536 69 Q N -0.003 119.814 119.800 0.029 0.000 2.413 69 Q HA 0.511 4.847 4.340 -0.007 0.000 0.276 69 Q C -0.309 175.716 176.000 0.041 0.000 1.099 69 Q CA -0.752 55.070 55.803 0.031 0.000 0.814 69 Q CB 1.580 30.334 28.738 0.027 0.000 1.379 69 Q HN 0.551 nan 8.270 nan 0.000 0.436 70 E N 0.830 121.058 120.200 0.047 0.000 2.373 70 E HA 0.299 4.645 4.350 -0.007 0.000 0.267 70 E C -0.143 176.499 176.600 0.071 0.000 1.032 70 E CA -0.296 56.143 56.400 0.066 0.000 0.889 70 E CB 1.065 30.808 29.700 0.071 0.000 0.984 70 E HN 0.384 nan 8.360 nan 0.000 0.425 71 V N -0.391 119.584 119.914 0.101 0.000 3.046 71 V HA 0.498 4.614 4.120 -0.007 0.000 0.316 71 V C -0.439 175.738 176.094 0.138 0.000 1.104 71 V CA -1.253 61.105 62.300 0.097 0.000 1.006 71 V CB 1.720 33.595 31.823 0.087 0.000 1.058 71 V HN 0.471 nan 8.190 nan 0.000 0.440 72 K N 1.992 122.442 120.400 0.082 0.000 2.326 72 K HA 0.538 4.854 4.320 -0.007 0.000 0.275 72 K C -0.892 175.780 176.600 0.120 0.000 1.018 72 K CA 0.139 56.445 56.287 0.032 0.000 0.962 72 K CB 0.644 33.136 32.500 -0.014 0.000 0.953 72 K HN 0.855 nan 8.250 nan 0.000 0.475 73 Y N -1.194 119.111 120.300 0.010 0.000 2.655 73 Y HA 0.775 5.320 4.550 -0.007 0.000 0.336 73 Y C -1.459 174.445 175.900 0.007 0.000 1.154 73 Y CA -1.552 56.553 58.100 0.009 0.000 1.055 73 Y CB 1.351 39.818 38.460 0.012 0.000 1.295 73 Y HN 0.475 nan 8.280 nan 0.000 0.465 74 A N 2.176 125.070 122.820 0.123 0.000 2.488 74 A HA 0.664 4.980 4.320 -0.007 0.000 0.298 74 A C -2.083 175.584 177.584 0.139 0.000 1.044 74 A CA -0.822 51.236 52.037 0.035 0.000 0.693 74 A CB 1.423 20.415 19.000 -0.014 0.000 1.272 74 A HN 0.675 nan 8.150 nan 0.000 0.402 75 L N 2.811 124.110 121.223 0.127 0.000 2.290 75 L HA 0.441 4.777 4.340 -0.007 0.000 0.284 75 L C 1.223 178.120 176.870 0.045 0.000 1.078 75 L CA 0.289 55.186 54.840 0.095 0.000 0.815 75 L CB 0.415 42.536 42.059 0.103 0.000 1.162 75 L HN 0.982 nan 8.230 nan 0.000 0.435 76 G N 3.083 111.902 108.800 0.031 0.000 2.653 76 G HA2 0.182 4.138 3.960 -0.007 0.000 0.265 76 G HA3 0.182 4.138 3.960 -0.007 0.000 0.265 76 G C 0.093 174.998 174.900 0.008 0.000 1.237 76 G CA -0.507 44.602 45.100 0.014 0.000 0.946 76 G HN 0.759 nan 8.290 nan 0.000 0.522 77 E N -0.226 119.974 120.200 0.000 0.000 2.392 77 E HA 0.126 4.472 4.350 -0.007 0.000 0.264 77 E C 0.271 176.863 176.600 -0.012 0.000 1.024 77 E CA -0.571 55.827 56.400 -0.004 0.000 0.903 77 E CB 1.082 30.779 29.700 -0.005 0.000 0.963 77 E HN 0.431 nan 8.360 nan 0.000 0.432 78 R N 2.081 122.573 120.500 -0.012 0.000 2.585 78 R HA -0.090 4.246 4.340 -0.007 0.000 0.275 78 R C -0.163 176.111 176.300 -0.043 0.000 1.018 78 R CA 0.509 56.594 56.100 -0.024 0.000 1.072 78 R CB 0.442 30.733 30.300 -0.014 0.000 0.953 78 R HN 0.644 nan 8.270 nan 0.000 0.419 79 Q N 3.360 123.113 119.800 -0.078 0.000 2.842 79 Q HA 0.087 4.423 4.340 -0.007 0.000 0.323 79 Q C 0.364 176.248 176.000 -0.193 0.000 1.111 79 Q CA 0.012 55.744 55.803 -0.118 0.000 1.047 79 Q CB 1.004 29.662 28.738 -0.134 0.000 1.280 79 Q HN 1.053 nan 8.270 nan 0.000 0.475 80 S N 0.196 115.829 115.700 -0.111 0.000 4.105 80 S HA -0.407 4.058 4.470 -0.007 0.000 0.539 80 S C 1.085 175.620 174.600 -0.108 0.000 1.658 80 S CA 2.042 60.201 58.200 -0.069 0.000 3.958 80 S CB -1.297 61.915 63.200 0.020 0.000 1.434 80 S HN 0.761 nan 8.310 nan 0.000 0.537 81 Y N 1.501 121.810 120.300 0.014 0.000 2.497 81 Y HA 0.270 4.813 4.550 -0.011 0.000 0.292 81 Y C 2.077 177.972 175.900 -0.008 0.000 1.137 81 Y CA 0.850 58.955 58.100 0.009 0.000 1.285 81 Y CB -0.671 37.790 38.460 0.001 0.000 0.991 81 Y HN 0.522 nan 8.280 nan 0.000 0.556 82 K N 0.993 120.990 120.400 -0.672 0.000 2.366 82 K HA 0.256 4.572 4.320 -0.007 0.000 0.198 82 K C 1.321 177.835 176.600 -0.144 0.000 1.044 82 K CA 0.512 56.588 56.287 -0.352 0.000 0.973 82 K CB -0.228 32.040 32.500 -0.385 0.000 0.767 82 K HN 0.591 nan 8.250 nan 0.000 0.475 83 G N 0.783 109.514 108.800 -0.115 0.000 2.542 83 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.235 83 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.235 83 G C -0.785 174.083 174.900 -0.054 0.000 1.286 83 G CA -0.454 44.614 45.100 -0.053 0.000 0.904 83 G HN 0.161 nan 8.290 nan 0.000 0.577 84 S N 2.709 118.392 115.700 -0.029 0.000 2.561 84 S HA 0.713 5.179 4.470 -0.007 0.000 0.303 84 S C -2.651 171.942 174.600 -0.011 0.000 1.110 84 S CA -0.689 57.502 58.200 -0.017 0.000 1.034 84 S CB 2.724 65.925 63.200 0.001 0.000 1.010 84 S HN 0.750 nan 8.310 nan 0.000 0.482 85 P HA 0.177 nan 4.420 nan 0.000 0.276 85 P C -0.985 176.327 177.300 0.020 0.000 1.230 85 P CA -0.348 62.752 63.100 -0.000 0.000 0.776 85 P CB 0.503 32.202 31.700 -0.002 0.000 0.888 86 M N 2.746 122.358 119.600 0.020 0.000 2.044 86 M HA 0.238 4.713 4.480 -0.007 0.000 0.333 86 M C -0.074 176.258 176.300 0.052 0.000 1.004 86 M CA -0.532 54.797 55.300 0.047 0.000 0.954 86 M CB 0.618 33.223 32.600 0.010 0.000 1.468 86 M HN 0.312 nan 8.290 nan 0.000 0.414 87 E N 4.769 125.014 120.200 0.076 0.000 2.259 87 E HA 0.445 4.791 4.350 -0.007 0.000 0.281 87 E C -1.437 175.226 176.600 0.104 0.000 1.027 87 E CA -0.334 56.106 56.400 0.067 0.000 0.838 87 E CB 1.082 30.811 29.700 0.049 0.000 1.066 87 E HN 0.703 nan 8.360 nan 0.000 0.401 88 I N 2.935 123.554 120.570 0.080 0.000 2.465 88 I HA 0.178 4.343 4.170 -0.007 0.000 0.291 88 I C -0.466 175.693 176.117 0.070 0.000 1.014 88 I CA -0.671 60.690 61.300 0.101 0.000 1.093 88 I CB 2.168 40.209 38.000 0.068 0.000 1.267 88 I HN 0.379 nan 8.210 nan 0.000 0.431 89 S N 6.876 122.621 115.700 0.074 0.000 2.411 89 S HA 0.458 4.923 4.470 -0.007 0.000 0.294 89 S C -0.035 174.592 174.600 0.044 0.000 1.115 89 S CA -0.615 57.614 58.200 0.048 0.000 1.071 89 S CB 0.180 63.402 63.200 0.038 0.000 0.967 89 S HN 0.313 nan 8.310 nan 0.000 0.488 90 L N 5.650 126.894 121.223 0.034 0.000 2.426 90 L HA 0.212 4.548 4.340 -0.007 0.000 0.271 90 L C -0.862 176.024 176.870 0.026 0.000 1.169 90 L CA -1.453 53.406 54.840 0.030 0.000 0.836 90 L CB 0.209 42.283 42.059 0.024 0.000 1.112 90 L HN 0.423 nan 8.230 nan 0.000 0.465 91 P HA 0.022 nan 4.420 nan 0.000 0.220 91 P C 0.135 177.445 177.300 0.017 0.000 1.152 91 P CA 1.194 64.308 63.100 0.022 0.000 0.812 91 P CB 0.496 32.211 31.700 0.024 0.000 0.792 92 I N -0.734 119.846 120.570 0.016 0.000 2.533 92 I HA 0.467 4.632 4.170 -0.007 0.000 0.290 92 I C -0.020 176.104 176.117 0.012 0.000 1.056 92 I CA -1.644 59.663 61.300 0.013 0.000 1.057 92 I CB 2.129 40.136 38.000 0.011 0.000 1.240 92 I HN -0.199 nan 8.210 nan 0.000 0.423 93 A N 7.086 129.913 122.820 0.010 0.000 2.498 93 A HA 0.504 4.819 4.320 -0.007 0.000 0.239 93 A C -0.299 177.290 177.584 0.009 0.000 1.068 93 A CA 0.198 52.241 52.037 0.010 0.000 0.766 93 A CB 0.119 19.124 19.000 0.008 0.000 1.003 93 A HN 0.681 nan 8.150 nan 0.000 0.497 94 L N 2.303 123.531 121.223 0.009 0.000 2.325 94 L HA 0.463 4.799 4.340 -0.007 0.000 0.278 94 L C 0.836 177.710 176.870 0.006 0.000 1.023 94 L CA -0.610 54.235 54.840 0.008 0.000 0.811 94 L CB 1.841 43.906 42.059 0.009 0.000 1.249 94 L HN 0.880 nan 8.230 nan 0.000 0.431 95 S N 0.965 116.668 115.700 0.004 0.000 2.681 95 S HA 0.301 4.766 4.470 -0.007 0.000 0.270 95 S C -0.274 174.327 174.600 0.003 0.000 1.209 95 S CA -0.879 57.323 58.200 0.003 0.000 0.988 95 S CB 1.244 64.445 63.200 0.002 0.000 1.006 95 S HN 0.584 nan 8.310 nan 0.000 0.558 96 K N 0.586 120.987 120.400 0.002 0.000 2.412 96 K HA 0.069 4.385 4.320 -0.007 0.000 0.281 96 K C -0.106 176.494 176.600 0.000 0.000 1.027 96 K CA 0.228 56.516 56.287 0.002 0.000 0.989 96 K CB -0.142 32.359 32.500 0.001 0.000 0.935 96 K HN 0.694 nan 8.250 nan 0.000 0.475 97 N N 1.158 119.858 118.700 0.000 0.000 2.965 97 N HA -0.227 4.509 4.740 -0.007 0.000 0.232 97 N C -0.654 174.856 175.510 -0.001 0.000 0.913 97 N CA 0.918 53.967 53.050 -0.002 0.000 0.981 97 N CB -0.955 37.529 38.487 -0.004 0.000 1.077 97 N HN 0.787 nan 8.380 nan 0.000 0.589 98 Q N 1.228 121.028 119.800 0.001 0.000 2.337 98 Q HA 0.162 4.498 4.340 -0.007 0.000 0.270 98 Q C -0.549 175.453 176.000 0.004 0.000 1.002 98 Q CA 0.551 56.355 55.803 0.002 0.000 0.888 98 Q CB 0.544 29.284 28.738 0.003 0.000 1.222 98 Q HN 0.168 nan 8.270 nan 0.000 0.400 99 E N 4.009 124.211 120.200 0.004 0.000 2.195 99 E HA 0.503 4.849 4.350 -0.007 0.000 0.271 99 E C -0.627 175.980 176.600 0.010 0.000 0.923 99 E CA -0.574 55.831 56.400 0.008 0.000 0.790 99 E CB 1.516 31.220 29.700 0.005 0.000 1.155 99 E HN 0.585 nan 8.360 nan 0.000 0.402 100 I N -2.150 118.430 120.570 0.017 0.000 3.239 100 I HA 0.662 4.828 4.170 -0.007 0.000 0.314 100 I C -0.989 175.145 176.117 0.029 0.000 1.126 100 I CA -1.292 60.020 61.300 0.020 0.000 0.973 100 I CB 1.828 39.840 38.000 0.020 0.000 1.252 100 I HN 0.146 nan 8.210 nan 0.000 0.463 101 V N 3.432 123.366 119.914 0.033 0.000 2.448 101 V HA 0.505 4.621 4.120 -0.007 0.000 0.295 101 V C -0.195 175.924 176.094 0.043 0.000 1.025 101 V CA -0.359 61.969 62.300 0.047 0.000 0.859 101 V CB 1.505 33.361 31.823 0.055 0.000 0.988 101 V HN 0.473 nan 8.190 nan 0.000 0.431 102 I N 3.914 124.510 120.570 0.043 0.000 2.382 102 I HA 0.450 4.616 4.170 -0.007 0.000 0.286 102 I C -0.027 176.112 176.117 0.036 0.000 1.002 102 I CA -0.341 60.979 61.300 0.033 0.000 1.135 102 I CB 1.771 39.783 38.000 0.019 0.000 1.288 102 I HN 0.651 nan 8.210 nan 0.000 0.448 103 E N 7.590 127.813 120.200 0.039 0.000 2.109 103 E HA 0.496 4.841 4.350 -0.007 0.000 0.278 103 E C -1.196 175.423 176.600 0.031 0.000 0.954 103 E CA -0.615 55.814 56.400 0.047 0.000 0.779 103 E CB 1.183 30.918 29.700 0.058 0.000 1.093 103 E HN 0.517 nan 8.360 nan 0.000 0.401 104 I N 3.383 123.976 120.570 0.039 0.000 2.362 104 I HA 0.167 4.333 4.170 -0.007 0.000 0.289 104 I C -0.211 175.990 176.117 0.141 0.000 0.994 104 I CA -0.471 60.845 61.300 0.028 0.000 1.158 104 I CB 1.941 39.918 38.000 -0.038 0.000 1.315 104 I HN 0.347 nan 8.210 nan 0.000 0.451 105 S N 6.966 122.714 115.700 0.080 0.000 2.489 105 S HA 0.653 5.119 4.470 -0.007 0.000 0.277 105 S C -0.538 174.120 174.600 0.098 0.000 1.230 105 S CA -0.413 57.823 58.200 0.060 0.000 1.053 105 S CB 0.271 63.470 63.200 -0.001 0.000 0.955 105 S HN 0.465 nan 8.310 nan 0.000 0.488 106 F N 0.388 120.304 119.950 -0.056 0.000 2.711 106 F HA 0.801 5.324 4.527 -0.006 0.000 0.313 106 F C -0.953 174.826 175.800 -0.035 0.000 1.141 106 F CA -1.089 56.879 58.000 -0.054 0.000 0.941 106 F CB 1.372 40.333 39.000 -0.065 0.000 1.349 106 F HN 0.459 nan 8.300 nan 0.000 0.464 107 E N 1.009 121.212 120.200 0.005 0.000 2.321 107 E HA 0.423 4.769 4.350 -0.007 0.000 0.278 107 E C -1.344 175.342 176.600 0.143 0.000 0.902 107 E CA -0.838 55.522 56.400 -0.067 0.000 0.758 107 E CB 2.372 32.028 29.700 -0.073 0.000 1.213 107 E HN 0.939 nan 8.360 nan 0.000 0.426 108 T N 0.463 115.103 114.554 0.143 0.000 2.816 108 T HA 0.316 4.662 4.350 -0.007 0.000 0.282 108 T C 0.500 175.246 174.700 0.076 0.000 0.993 108 T CA -0.723 61.473 62.100 0.160 0.000 0.994 108 T CB 1.553 70.538 68.868 0.195 0.000 1.025 108 T HN 0.264 nan 8.240 nan 0.000 0.529 109 S N 1.011 116.751 115.700 0.067 0.000 2.584 109 S HA 0.319 4.785 4.470 -0.007 0.000 0.273 109 S C -1.570 173.043 174.600 0.022 0.000 1.311 109 S CA -1.598 56.616 58.200 0.024 0.000 1.034 109 S CB 0.359 63.572 63.200 0.022 0.000 0.939 109 S HN 0.557 nan 8.310 nan 0.000 0.513 110 P HA -0.122 nan 4.420 nan 0.000 0.217 110 P C 0.566 177.869 177.300 0.006 0.000 1.148 110 P CA 1.316 64.345 63.100 -0.119 0.000 0.828 110 P CB -0.013 31.576 31.700 -0.186 0.000 0.783 111 K N -1.117 119.286 120.400 0.005 0.000 2.437 111 K HA 0.158 4.474 4.320 -0.007 0.000 0.198 111 K C 0.452 177.059 176.600 0.013 0.000 1.024 111 K CA -0.190 56.102 56.287 0.008 0.000 1.148 111 K CB -0.196 32.300 32.500 -0.006 0.000 0.860 111 K HN -0.189 nan 8.250 nan 0.000 0.515 112 S N 1.950 117.678 115.700 0.046 0.000 2.784 112 S HA -0.084 4.382 4.470 -0.007 0.000 0.322 112 S C 1.144 175.719 174.600 -0.042 0.000 1.234 112 S CA 0.249 58.468 58.200 0.033 0.000 1.064 112 S CB 0.321 63.565 63.200 0.073 0.000 0.787 112 S HN 0.579 nan 8.310 nan 0.000 0.506 113 S N 4.217 119.887 115.700 -0.049 0.000 2.555 113 S HA 0.033 4.499 4.470 -0.007 0.000 0.230 113 S C 1.671 176.071 174.600 -0.333 0.000 0.978 113 S CA 0.414 58.506 58.200 -0.180 0.000 0.934 113 S CB -0.251 62.898 63.200 -0.084 0.000 0.766 113 S HN 0.908 nan 8.310 nan 0.000 0.533 114 A N 0.777 123.509 122.820 -0.147 0.000 2.123 114 A HA 0.498 4.814 4.320 -0.007 0.000 0.214 114 A C 0.780 178.298 177.584 -0.111 0.000 1.152 114 A CA 0.186 52.175 52.037 -0.080 0.000 0.728 114 A CB -0.158 18.857 19.000 0.025 0.000 0.814 114 A HN 0.545 nan 8.150 nan 0.000 0.464 115 L N -0.762 120.336 121.223 -0.209 0.000 2.354 115 L HA 0.496 4.832 4.340 -0.007 0.000 0.269 115 L C -0.352 176.216 176.870 -0.504 0.000 1.005 115 L CA -0.564 54.072 54.840 -0.339 0.000 0.819 115 L CB 2.036 43.905 42.059 -0.317 0.000 1.311 115 L HN 0.267 nan 8.230 nan 0.000 0.423 116 Q N 1.329 120.688 119.800 -0.736 0.000 2.321 116 Q HA 0.357 4.693 4.340 -0.007 0.000 0.270 116 Q C -2.012 173.676 176.000 -0.519 0.000 1.032 116 Q CA -0.627 54.801 55.803 -0.624 0.000 0.784 116 Q CB 1.749 30.072 28.738 -0.691 0.000 1.264 116 Q HN 0.489 nan 8.270 nan 0.000 0.448 117 W N 4.994 126.206 121.300 -0.148 0.000 2.349 117 W HA 0.489 5.144 4.660 -0.007 0.000 0.309 117 W C -0.787 175.779 176.519 0.078 0.000 1.083 117 W CA -0.416 56.935 57.345 0.010 0.000 1.224 117 W CB 0.893 30.356 29.460 0.005 0.000 1.256 117 W HN 0.399 nan 8.180 nan 0.000 0.461 118 L N 3.947 125.394 121.223 0.374 0.000 2.341 118 L HA 0.522 4.857 4.340 -0.007 0.000 0.278 118 L C 0.803 177.834 176.870 0.268 0.000 1.005 118 L CA -1.018 53.985 54.840 0.272 0.000 0.818 118 L CB 1.499 43.701 42.059 0.238 0.000 1.259 118 L HN 0.429 nan 8.230 nan 0.000 0.418 119 T N -0.895 113.767 114.554 0.181 0.000 2.766 119 T HA 0.189 4.535 4.350 -0.007 0.000 0.295 119 T C -1.911 172.851 174.700 0.104 0.000 1.024 119 T CA -1.414 60.765 62.100 0.132 0.000 1.018 119 T CB 0.862 69.780 68.868 0.084 0.000 1.002 119 T HN 0.333 nan 8.240 nan 0.000 0.532 120 P HA -0.118 nan 4.420 nan 0.000 0.216 120 P C 1.262 178.586 177.300 0.040 0.000 1.153 120 P CA 1.215 64.341 63.100 0.044 0.000 0.858 120 P CB -0.055 31.644 31.700 -0.001 0.000 0.789 121 E N -0.413 119.807 120.200 0.034 0.000 2.160 121 E HA -0.208 4.138 4.350 -0.007 0.000 0.195 121 E C 1.836 178.461 176.600 0.041 0.000 0.991 121 E CA 1.104 57.522 56.400 0.030 0.000 0.810 121 E CB -0.776 28.939 29.700 0.025 0.000 0.742 121 E HN 0.463 nan 8.360 nan 0.000 0.466 122 Q N 0.312 120.145 119.800 0.056 0.000 2.444 122 Q HA 0.040 4.376 4.340 -0.007 0.000 0.206 122 Q C 0.394 176.414 176.000 0.034 0.000 0.948 122 Q CA 0.746 56.585 55.803 0.060 0.000 0.946 122 Q CB 0.252 29.041 28.738 0.085 0.000 1.027 122 Q HN 0.293 nan 8.270 nan 0.000 0.513 123 T N -4.230 110.344 114.554 0.033 0.000 2.923 123 T HA 0.304 4.650 4.350 -0.007 0.000 0.281 123 T C 1.088 175.799 174.700 0.018 0.000 0.995 123 T CA -0.656 61.450 62.100 0.010 0.000 0.985 123 T CB 1.723 70.635 68.868 0.073 0.000 1.114 123 T HN -0.170 nan 8.240 nan 0.000 0.548 124 S N 0.410 116.120 115.700 0.016 0.000 2.368 124 S HA 0.089 4.555 4.470 -0.007 0.000 0.224 124 S C 2.193 176.817 174.600 0.040 0.000 1.029 124 S CA 1.080 59.297 58.200 0.027 0.000 0.988 124 S CB -0.827 62.390 63.200 0.029 0.000 0.838 124 S HN 0.950 nan 8.310 nan 0.000 0.462 125 G N 0.467 109.304 108.800 0.061 0.000 2.551 125 G HA2 0.016 3.972 3.960 -0.007 0.000 0.216 125 G HA3 0.016 3.972 3.960 -0.007 0.000 0.216 125 G C 0.453 175.370 174.900 0.030 0.000 1.137 125 G CA 0.316 45.453 45.100 0.061 0.000 0.798 125 G HN 0.276 nan 8.290 nan 0.000 0.536 126 K N -0.780 119.636 120.400 0.026 0.000 3.547 126 K HA -0.191 4.125 4.320 -0.007 0.000 0.309 126 K C 0.949 177.522 176.600 -0.044 0.000 1.324 126 K CA 1.635 57.922 56.287 0.001 0.000 0.988 126 K CB -1.557 30.943 32.500 -0.001 0.000 1.261 126 K HN 0.590 nan 8.250 nan 0.000 0.444 127 E N -0.391 119.752 120.200 -0.095 0.000 2.447 127 E HA 0.080 4.426 4.350 -0.007 0.000 0.204 127 E C 0.178 176.508 176.600 -0.450 0.000 0.977 127 E CA 0.110 56.341 56.400 -0.281 0.000 0.950 127 E CB 0.430 29.899 29.700 -0.384 0.000 0.975 127 E HN 0.326 nan 8.360 nan 0.000 0.496 128 H N -0.063 119.003 119.070 -0.008 0.000 2.895 128 H HA 0.297 4.848 4.556 -0.007 0.000 0.373 128 H C -2.392 172.901 175.328 -0.057 0.000 1.174 128 H CA -2.066 53.948 56.048 -0.056 0.000 1.144 128 H CB 1.814 31.542 29.762 -0.056 0.000 1.793 128 H HN -0.048 nan 8.280 nan 0.000 0.551 129 P HA 0.187 nan 4.420 nan 0.000 0.289 129 P C -1.087 176.213 177.300 0.001 0.000 1.299 129 P CA -0.184 62.875 63.100 -0.068 0.000 0.766 129 P CB 1.590 33.098 31.700 -0.319 0.000 1.226 130 Y N -1.123 119.241 120.300 0.107 0.000 2.521 130 Y HA 0.521 5.066 4.550 -0.007 0.000 0.332 130 Y C -1.813 174.293 175.900 0.344 0.000 1.121 130 Y CA -1.027 57.201 58.100 0.214 0.000 1.037 130 Y CB 1.404 39.959 38.460 0.158 0.000 1.330 130 Y HN 0.300 nan 8.280 nan 0.000 0.452 131 L N 7.194 128.555 121.223 0.231 0.000 2.408 131 L HA 0.838 5.174 4.340 -0.007 0.000 0.268 131 L C -1.926 174.921 176.870 -0.038 0.000 0.986 131 L CA -0.760 53.999 54.840 -0.134 0.000 0.820 131 L CB 1.460 43.130 42.059 -0.648 0.000 1.303 131 L HN 0.476 nan 8.230 nan 0.000 0.411 132 F N 1.545 121.467 119.950 -0.047 0.000 2.626 132 F HA 0.915 5.438 4.527 -0.007 0.000 0.311 132 F C -0.538 175.293 175.800 0.053 0.000 1.088 132 F CA -0.562 57.458 58.000 0.034 0.000 0.949 132 F CB 1.213 40.323 39.000 0.183 0.000 1.322 132 F HN 0.598 nan 8.300 nan 0.000 0.461 133 S N 1.216 117.145 115.700 0.382 0.000 2.681 133 S HA 0.754 5.220 4.470 -0.007 0.000 0.299 133 S C -0.964 173.921 174.600 0.474 0.000 1.113 133 S CA -0.579 57.773 58.200 0.253 0.000 1.013 133 S CB 1.856 65.105 63.200 0.081 0.000 1.076 133 S HN 0.966 nan 8.310 nan 0.000 0.534 134 Q N 0.401 120.388 119.800 0.311 0.000 2.709 134 Q HA 0.423 4.759 4.340 -0.007 0.000 0.232 134 Q C -0.859 175.249 176.000 0.180 0.000 0.856 134 Q CA -0.477 55.499 55.803 0.289 0.000 0.788 134 Q CB 0.359 29.349 28.738 0.420 0.000 1.386 134 Q HN 0.759 nan 8.270 nan 0.000 0.453 135 C N 2.097 121.467 119.300 0.117 0.000 2.551 135 C HA 0.195 4.651 4.460 -0.007 0.000 0.277 135 C C 0.991 176.044 174.990 0.105 0.000 1.349 135 C CA 0.053 59.153 59.018 0.136 0.000 1.750 135 C CB -0.172 27.612 27.740 0.073 0.000 2.058 135 C HN 0.789 nan 8.230 nan 0.000 0.518 136 Q N 0.549 120.373 119.800 0.040 0.000 2.300 136 Q HA 0.289 4.625 4.340 -0.007 0.000 0.280 136 Q C 0.932 176.722 176.000 -0.350 0.000 1.033 136 Q CA 0.244 55.930 55.803 -0.195 0.000 0.903 136 Q CB 0.884 29.482 28.738 -0.234 0.000 1.195 136 Q HN 0.528 nan 8.270 nan 0.000 0.386 137 A N 4.925 127.315 122.820 -0.717 0.000 1.861 137 A HA 0.004 4.320 4.320 -0.007 0.000 0.212 137 A C 1.264 178.459 177.584 -0.649 0.000 1.199 137 A CA 1.051 52.346 52.037 -1.237 0.000 0.613 137 A CB -0.040 17.715 19.000 -2.075 0.000 0.846 137 A HN 0.838 nan 8.150 nan 0.000 0.446 138 I N -4.984 115.211 120.570 -0.625 0.000 3.283 138 I HA 0.425 4.591 4.170 -0.007 0.000 0.342 138 I C 0.139 176.026 176.117 -0.383 0.000 1.510 138 I CA -0.335 60.761 61.300 -0.339 0.000 1.006 138 I CB 0.174 38.047 38.000 -0.213 0.000 1.596 138 I HN 0.124 nan 8.210 nan 0.000 0.509 139 H N -0.352 118.695 119.070 -0.038 0.000 2.652 139 H HA 0.171 4.723 4.556 -0.007 0.000 0.274 139 H C 1.899 177.217 175.328 -0.015 0.000 1.021 139 H CA 0.098 56.136 56.048 -0.016 0.000 1.187 139 H CB 0.517 30.274 29.762 -0.008 0.000 1.505 139 H HN 0.668 nan 8.280 nan 0.000 0.530 140 C N 2.335 121.675 119.300 0.067 0.000 2.413 140 C HA -0.157 4.298 4.460 -0.007 0.000 0.277 140 C C 3.010 177.981 174.990 -0.033 0.000 1.265 140 C CA 1.353 60.375 59.018 0.008 0.000 1.752 140 C CB -0.692 27.046 27.740 -0.005 0.000 1.998 140 C HN 0.641 nan 8.230 nan 0.000 0.489 141 R N 0.968 121.456 120.500 -0.020 0.000 2.241 141 R HA 0.011 4.347 4.340 -0.007 0.000 0.224 141 R C 1.809 178.089 176.300 -0.032 0.000 1.101 141 R CA 1.625 57.698 56.100 -0.044 0.000 0.995 141 R CB -0.605 29.680 30.300 -0.026 0.000 0.870 141 R HN 0.492 nan 8.270 nan 0.000 0.463 142 A N 0.730 123.560 122.820 0.018 0.000 2.238 142 A HA 0.197 4.513 4.320 -0.007 0.000 0.208 142 A C 1.784 179.380 177.584 0.020 0.000 1.177 142 A CA 0.258 52.316 52.037 0.035 0.000 0.804 142 A CB -0.081 18.970 19.000 0.086 0.000 0.823 142 A HN 0.339 nan 8.150 nan 0.000 0.482 143 I N -1.212 119.343 120.570 -0.024 0.000 3.039 143 I HA 0.195 4.361 4.170 -0.007 0.000 0.270 143 I C 0.009 176.015 176.117 -0.184 0.000 1.150 143 I CA 0.396 61.678 61.300 -0.031 0.000 1.448 143 I CB 0.493 38.466 38.000 -0.046 0.000 1.197 143 I HN 0.380 nan 8.210 nan 0.000 0.450 144 L N -3.289 117.725 121.223 -0.347 0.000 2.622 144 L HA 0.655 4.991 4.340 -0.007 0.000 0.258 144 L C -3.172 173.421 176.870 -0.463 0.000 0.996 144 L CA -1.982 52.410 54.840 -0.747 0.000 0.858 144 L CB 0.678 42.285 42.059 -0.753 0.000 1.449 144 L HN -0.301 nan 8.230 nan 0.000 0.411 145 P HA 0.450 nan 4.420 nan 0.000 0.276 145 P C -0.928 176.253 177.300 -0.199 0.000 1.230 145 P CA -0.290 62.654 63.100 -0.260 0.000 0.776 145 P CB 0.705 32.266 31.700 -0.232 0.000 0.888 146 C N 0.564 119.788 119.300 -0.127 0.000 3.275 146 C HA 0.369 4.825 4.460 -0.007 0.000 0.340 146 C C -0.874 174.087 174.990 -0.048 0.000 1.366 146 C CA -0.909 58.054 59.018 -0.091 0.000 1.227 146 C CB 0.793 28.473 27.740 -0.101 0.000 1.512 146 C HN 0.450 nan 8.230 nan 0.000 0.461 147 Q N 1.213 120.997 119.800 -0.028 0.000 2.452 147 Q HA 0.205 4.541 4.340 -0.007 0.000 0.230 147 Q C -0.627 175.382 176.000 0.015 0.000 1.180 147 Q CA 0.302 56.103 55.803 -0.004 0.000 0.914 147 Q CB 0.311 29.049 28.738 0.000 0.000 1.408 147 Q HN 0.615 nan 8.270 nan 0.000 0.520 148 D N 2.444 122.860 120.400 0.028 0.000 2.619 148 D HA 0.052 4.688 4.640 -0.007 0.000 0.224 148 D C -0.980 175.397 176.300 0.128 0.000 1.133 148 D CA 0.228 54.268 54.000 0.067 0.000 1.017 148 D CB 0.189 41.017 40.800 0.046 0.000 1.077 148 D HN 0.310 nan 8.370 nan 0.000 0.503 149 T N 0.980 115.603 114.554 0.116 0.000 2.993 149 T HA 0.372 4.718 4.350 -0.007 0.000 0.312 149 T C -2.473 172.256 174.700 0.049 0.000 1.115 149 T CA -1.537 60.616 62.100 0.089 0.000 1.027 149 T CB 2.060 70.948 68.868 0.032 0.000 1.116 149 T HN -0.087 nan 8.240 nan 0.000 0.464 150 P HA 0.077 nan 4.420 nan 0.000 0.245 150 P C 1.062 178.318 177.300 -0.074 0.000 1.212 150 P CA 0.239 63.318 63.100 -0.035 0.000 0.774 150 P CB -0.083 31.452 31.700 -0.274 0.000 0.999 151 S N -1.737 113.917 115.700 -0.077 0.000 2.603 151 S HA 0.110 4.576 4.470 -0.007 0.000 0.220 151 S C 0.655 175.240 174.600 -0.025 0.000 0.967 151 S CA -0.145 58.020 58.200 -0.059 0.000 0.920 151 S CB -0.519 62.649 63.200 -0.053 0.000 0.773 151 S HN -0.080 nan 8.310 nan 0.000 0.529 152 V N 1.564 121.473 119.914 -0.009 0.000 2.588 152 V HA 0.503 4.619 4.120 -0.007 0.000 0.304 152 V C -0.649 175.451 176.094 0.009 0.000 1.042 152 V CA -0.773 61.529 62.300 0.003 0.000 0.877 152 V CB 2.046 33.873 31.823 0.007 0.000 0.996 152 V HN 0.253 nan 8.190 nan 0.000 0.425 153 K N 5.384 125.794 120.400 0.016 0.000 2.378 153 K HA 0.850 5.166 4.320 -0.007 0.000 0.252 153 K C -1.305 175.317 176.600 0.036 0.000 0.931 153 K CA -0.685 55.618 56.287 0.027 0.000 0.794 153 K CB 2.564 35.090 32.500 0.044 0.000 1.181 153 K HN 0.629 nan 8.250 nan 0.000 0.425 154 L N -1.532 119.720 121.223 0.047 0.000 2.376 154 L HA 0.658 4.994 4.340 -0.007 0.000 0.258 154 L C -0.027 176.898 176.870 0.091 0.000 1.013 154 L CA -0.982 53.894 54.840 0.061 0.000 0.822 154 L CB 1.772 43.854 42.059 0.039 0.000 1.388 154 L HN 0.623 nan 8.230 nan 0.000 0.413 155 T N -1.627 112.997 114.554 0.116 0.000 2.862 155 T HA 0.739 5.085 4.350 -0.007 0.000 0.276 155 T C -0.724 173.998 174.700 0.036 0.000 0.974 155 T CA -0.401 61.776 62.100 0.128 0.000 0.966 155 T CB 1.356 70.345 68.868 0.201 0.000 1.072 155 T HN 0.926 nan 8.240 nan 0.000 0.538 156 Y N -1.697 118.538 120.300 -0.108 0.000 2.592 156 Y HA 0.681 5.227 4.550 -0.007 0.000 0.334 156 Y C -0.911 174.988 175.900 -0.002 0.000 1.136 156 Y CA -1.150 56.766 58.100 -0.307 0.000 1.042 156 Y CB 0.979 39.325 38.460 -0.191 0.000 1.325 156 Y HN 1.045 nan 8.280 nan 0.000 0.457 157 T N 0.272 115.004 114.554 0.296 0.000 2.916 157 T HA 0.992 5.338 4.350 -0.007 0.000 0.292 157 T C -0.817 174.197 174.700 0.523 0.000 1.055 157 T CA -0.381 61.971 62.100 0.420 0.000 1.009 157 T CB 1.749 70.881 68.868 0.440 0.000 1.118 157 T HN 1.721 nan 8.240 nan 0.000 0.497 158 A N 1.213 124.313 122.820 0.468 0.000 2.566 158 A HA 0.722 5.038 4.320 -0.007 0.000 0.297 158 A C -1.332 176.460 177.584 0.348 0.000 1.059 158 A CA -0.958 51.288 52.037 0.349 0.000 0.691 158 A CB 1.431 20.651 19.000 0.367 0.000 1.282 158 A HN 0.846 nan 8.150 nan 0.000 0.401 159 E N 0.932 121.258 120.200 0.210 0.000 2.216 159 E HA 0.520 4.866 4.350 -0.007 0.000 0.260 159 E C -1.387 175.317 176.600 0.173 0.000 0.880 159 E CA -0.703 55.807 56.400 0.183 0.000 0.765 159 E CB 2.404 32.177 29.700 0.123 0.000 1.174 159 E HN 0.361 nan 8.360 nan 0.000 0.417 160 V N 2.203 122.267 119.914 0.251 0.000 2.409 160 V HA 0.290 4.406 4.120 -0.007 0.000 0.291 160 V C -0.086 176.131 176.094 0.205 0.000 1.020 160 V CA -0.679 61.755 62.300 0.223 0.000 0.848 160 V CB 1.649 33.643 31.823 0.285 0.000 0.990 160 V HN 0.580 nan 8.190 nan 0.000 0.430 161 S N 4.417 120.194 115.700 0.128 0.000 2.480 161 S HA 0.780 5.246 4.470 -0.007 0.000 0.286 161 S C -0.541 174.145 174.600 0.143 0.000 1.180 161 S CA -0.414 57.857 58.200 0.118 0.000 1.075 161 S CB 1.071 64.311 63.200 0.066 0.000 0.996 161 S HN 1.118 nan 8.310 nan 0.000 0.487 162 V N 2.554 122.581 119.914 0.188 0.000 3.049 162 V HA 0.756 4.872 4.120 -0.007 0.000 0.309 162 V C -3.050 173.167 176.094 0.205 0.000 1.148 162 V CA -2.849 59.587 62.300 0.226 0.000 0.990 162 V CB 1.273 33.253 31.823 0.263 0.000 1.039 162 V HN 0.623 nan 8.190 nan 0.000 0.430 163 P HA 0.064 nan 4.420 nan 0.000 0.263 163 P C 0.537 177.909 177.300 0.120 0.000 1.175 163 P CA 0.289 63.479 63.100 0.150 0.000 0.761 163 P CB 0.323 32.106 31.700 0.138 0.000 0.794 164 K N 2.427 122.880 120.400 0.089 0.000 2.362 164 K HA -0.153 4.163 4.320 -0.007 0.000 0.200 164 K C 0.723 177.363 176.600 0.066 0.000 1.046 164 K CA 1.504 57.839 56.287 0.079 0.000 0.952 164 K CB -0.229 32.301 32.500 0.049 0.000 0.753 164 K HN 0.211 nan 8.250 nan 0.000 0.466 165 E N 0.922 121.134 120.200 0.019 0.000 2.358 165 E HA 0.110 4.456 4.350 -0.007 0.000 0.195 165 E C 0.274 176.789 176.600 -0.142 0.000 1.010 165 E CA 0.430 56.793 56.400 -0.062 0.000 0.856 165 E CB 0.055 29.680 29.700 -0.126 0.000 0.795 165 E HN 0.297 nan 8.360 nan 0.000 0.504 166 L N -0.276 120.905 121.223 -0.071 0.000 2.365 166 L HA 0.502 4.838 4.340 -0.007 0.000 0.267 166 L C -0.279 176.594 176.870 0.005 0.000 1.033 166 L CA -1.213 53.570 54.840 -0.094 0.000 0.802 166 L CB 1.375 43.382 42.059 -0.087 0.000 1.267 166 L HN -0.239 nan 8.230 nan 0.000 0.457 167 V N 0.301 120.130 119.914 -0.143 0.000 2.604 167 V HA 0.687 4.803 4.120 -0.007 0.000 0.305 167 V C -0.125 175.626 176.094 -0.572 0.000 1.043 167 V CA -0.628 61.430 62.300 -0.403 0.000 0.888 167 V CB 1.708 33.389 31.823 -0.237 0.000 0.995 167 V HN 0.849 nan 8.190 nan 0.000 0.429 168 A N 5.331 127.548 122.820 -1.004 0.000 2.324 168 A HA 0.965 5.281 4.320 -0.007 0.000 0.330 168 A C -0.955 176.390 177.584 -0.399 0.000 1.165 168 A CA -0.494 51.233 52.037 -0.517 0.000 0.813 168 A CB 0.897 19.802 19.000 -0.159 0.000 1.197 168 A HN 0.783 nan 8.150 nan 0.000 0.484 169 L N 1.545 122.515 121.223 -0.421 0.000 2.393 169 L HA 0.684 5.020 4.340 -0.007 0.000 0.260 169 L C -0.303 176.182 176.870 -0.641 0.000 1.002 169 L CA -0.389 54.162 54.840 -0.481 0.000 0.818 169 L CB 2.282 43.981 42.059 -0.600 0.000 1.369 169 L HN 0.734 nan 8.230 nan 0.000 0.412 170 M N -0.040 119.092 119.600 -0.780 0.000 2.704 170 M HA 0.300 4.776 4.480 -0.007 0.000 0.284 170 M C -0.170 176.004 176.300 -0.210 0.000 1.275 170 M CA -0.722 54.245 55.300 -0.555 0.000 0.811 170 M CB 2.513 34.586 32.600 -0.879 0.000 1.741 170 M HN 0.570 nan 8.290 nan 0.000 0.458 171 S N 0.573 116.227 115.700 -0.076 0.000 4.175 171 S HA 0.619 5.085 4.470 -0.007 0.000 0.193 171 S C -0.325 174.275 174.600 0.001 0.000 1.373 171 S CA -0.310 57.868 58.200 -0.037 0.000 0.908 171 S CB -1.050 62.109 63.200 -0.068 0.000 1.547 171 S HN 0.737 nan 8.310 nan 0.000 0.440 172 A N 1.994 124.807 122.820 -0.012 0.000 2.522 172 A HA 0.566 4.882 4.320 -0.007 0.000 0.291 172 A C -1.113 176.539 177.584 0.114 0.000 1.039 172 A CA -0.963 51.062 52.037 -0.021 0.000 0.643 172 A CB 0.423 19.361 19.000 -0.103 0.000 1.310 172 A HN 0.372 nan 8.150 nan 0.000 0.436 173 I N 1.256 121.898 120.570 0.120 0.000 2.395 173 I HA 0.277 4.443 4.170 -0.007 0.000 0.289 173 I C 0.910 177.146 176.117 0.198 0.000 1.023 173 I CA -0.078 61.312 61.300 0.150 0.000 1.350 173 I CB 0.745 38.804 38.000 0.099 0.000 1.409 173 I HN 0.678 nan 8.210 nan 0.000 0.507 174 R N 3.510 124.128 120.500 0.196 0.000 2.489 174 R HA 0.029 4.365 4.340 -0.007 0.000 0.287 174 R C -0.163 176.128 176.300 -0.016 0.000 1.053 174 R CA 0.205 56.354 56.100 0.082 0.000 1.036 174 R CB 0.341 30.715 30.300 0.123 0.000 0.966 174 R HN 0.483 nan 8.270 nan 0.000 0.432 175 D N 1.591 121.902 120.400 -0.150 0.000 2.804 175 D HA 0.236 4.872 4.640 -0.007 0.000 0.308 175 D C -0.160 176.071 176.300 -0.114 0.000 1.371 175 D CA 0.549 54.498 54.000 -0.085 0.000 0.823 175 D CB 0.424 41.193 40.800 -0.051 0.000 1.126 175 D HN 0.756 nan 8.370 nan 0.000 0.467 176 G N 0.889 109.617 108.800 -0.122 0.000 2.592 176 G HA2 0.098 4.054 3.960 -0.007 0.000 0.684 176 G HA3 0.098 4.054 3.960 -0.007 0.000 0.684 176 G C -1.010 173.784 174.900 -0.177 0.000 1.291 176 G CA -0.395 44.641 45.100 -0.107 0.000 0.891 176 G HN 0.396 nan 8.290 nan 0.000 0.544 177 E N -1.837 118.247 120.200 -0.193 0.000 2.372 177 E HA 0.774 5.120 4.350 -0.007 0.000 0.279 177 E C -0.488 175.960 176.600 -0.253 0.000 0.946 177 E CA -0.401 55.785 56.400 -0.357 0.000 0.769 177 E CB 2.209 31.580 29.700 -0.547 0.000 1.230 177 E HN 1.504 nan 8.360 nan 0.000 0.442 178 T N -1.084 113.314 114.554 -0.260 0.000 2.868 178 T HA 0.547 4.893 4.350 -0.007 0.000 0.306 178 T C -2.966 171.647 174.700 -0.145 0.000 1.224 178 T CA -2.160 59.846 62.100 -0.157 0.000 1.012 178 T CB 1.241 70.050 68.868 -0.098 0.000 1.221 178 T HN 0.259 nan 8.240 nan 0.000 0.499 179 P HA 0.203 nan 4.420 nan 0.000 0.266 179 P C -0.634 176.640 177.300 -0.043 0.000 1.195 179 P CA -0.065 63.000 63.100 -0.059 0.000 0.768 179 P CB 0.268 31.947 31.700 -0.036 0.000 0.838 180 D N 3.905 124.290 120.400 -0.025 0.000 2.338 180 D HA 0.070 4.706 4.640 -0.007 0.000 0.255 180 D C -1.442 174.855 176.300 -0.004 0.000 1.237 180 D CA -1.958 52.036 54.000 -0.010 0.000 0.883 180 D CB 0.522 41.326 40.800 0.007 0.000 1.087 180 D HN 0.112 nan 8.370 nan 0.000 0.485 181 P HA -0.161 nan 4.420 nan 0.000 0.216 181 P C 0.803 178.104 177.300 0.002 0.000 1.153 181 P CA 1.149 64.248 63.100 -0.002 0.000 0.858 181 P CB 0.081 31.781 31.700 -0.000 0.000 0.789 182 E N -1.075 119.127 120.200 0.004 0.000 2.445 182 E HA 0.001 4.347 4.350 -0.007 0.000 0.189 182 E C -0.272 176.332 176.600 0.007 0.000 1.069 182 E CA 0.113 56.516 56.400 0.004 0.000 0.871 182 E CB -0.308 29.393 29.700 0.003 0.000 0.991 182 E HN 0.032 nan 8.360 nan 0.000 0.481 183 D N 0.191 120.597 120.400 0.009 0.000 2.229 183 D HA 0.085 4.721 4.640 -0.007 0.000 0.209 183 D C -2.457 173.853 176.300 0.016 0.000 1.295 183 D CA -1.371 52.638 54.000 0.014 0.000 0.913 183 D CB 1.369 42.181 40.800 0.020 0.000 1.581 183 D HN -0.194 nan 8.370 nan 0.000 0.502 184 P HA -0.056 nan 4.420 nan 0.000 0.228 184 P C 1.104 178.415 177.300 0.019 0.000 1.151 184 P CA 0.737 63.844 63.100 0.012 0.000 0.770 184 P CB 0.103 31.809 31.700 0.010 0.000 0.786 185 S N -1.978 113.738 115.700 0.028 0.000 2.660 185 S HA 0.089 4.555 4.470 -0.007 0.000 0.223 185 S C 0.779 175.408 174.600 0.049 0.000 0.963 185 S CA -0.052 58.170 58.200 0.038 0.000 0.932 185 S CB -0.479 62.746 63.200 0.043 0.000 0.775 185 S HN 0.085 nan 8.310 nan 0.000 0.531 186 R N -0.054 120.470 120.500 0.041 0.000 2.888 186 R HA 0.665 5.001 4.340 -0.007 0.000 0.266 186 R C -1.027 175.289 176.300 0.027 0.000 1.020 186 R CA -0.815 55.316 56.100 0.053 0.000 0.963 186 R CB 1.544 31.879 30.300 0.059 0.000 1.197 186 R HN 0.080 nan 8.270 nan 0.000 0.481 187 K N 1.075 121.499 120.400 0.039 0.000 2.385 187 K HA 0.520 4.836 4.320 -0.007 0.000 0.248 187 K C -1.014 175.563 176.600 -0.038 0.000 0.955 187 K CA -0.618 55.636 56.287 -0.054 0.000 0.816 187 K CB 1.935 34.363 32.500 -0.121 0.000 1.250 187 K HN 0.389 nan 8.250 nan 0.000 0.434 188 I N 3.163 123.652 120.570 -0.136 0.000 2.339 188 I HA 0.273 4.439 4.170 -0.007 0.000 0.290 188 I C -1.012 174.962 176.117 -0.239 0.000 0.994 188 I CA -0.727 60.531 61.300 -0.070 0.000 1.191 188 I CB 0.771 38.748 38.000 -0.038 0.000 1.343 188 I HN 0.457 nan 8.210 nan 0.000 0.458 189 Y N 5.438 125.729 120.300 -0.015 0.000 2.360 189 Y HA 0.476 5.022 4.550 -0.007 0.000 0.337 189 Y C 0.001 175.702 175.900 -0.332 0.000 1.039 189 Y CA -0.569 57.421 58.100 -0.184 0.000 1.109 189 Y CB 1.614 40.047 38.460 -0.047 0.000 1.201 189 Y HN 0.397 nan 8.280 nan 0.000 0.458 190 K N 2.942 123.056 120.400 -0.477 0.000 2.267 190 K HA 0.739 5.055 4.320 -0.007 0.000 0.246 190 K C -1.725 174.403 176.600 -0.786 0.000 0.954 190 K CA -0.743 55.325 56.287 -0.364 0.000 0.824 190 K CB 1.774 34.187 32.500 -0.145 0.000 1.167 190 K HN 0.409 nan 8.250 nan 0.000 0.431 191 F N 1.119 121.139 119.950 0.117 0.000 2.641 191 F HA 0.459 4.982 4.527 -0.006 0.000 0.308 191 F C -1.126 174.696 175.800 0.038 0.000 1.105 191 F CA -1.046 57.001 58.000 0.078 0.000 0.964 191 F CB 1.443 40.509 39.000 0.110 0.000 1.294 191 F HN 0.246 nan 8.300 nan 0.000 0.442 192 I N 2.641 123.289 120.570 0.130 0.000 2.548 192 I HA 0.495 4.661 4.170 -0.007 0.000 0.287 192 I C -1.485 174.552 176.117 -0.134 0.000 1.103 192 I CA -0.777 60.523 61.300 0.001 0.000 1.049 192 I CB 1.687 39.704 38.000 0.028 0.000 1.232 192 I HN 0.572 nan 8.210 nan 0.000 0.429 193 Q N 6.385 125.973 119.800 -0.354 0.000 2.425 193 Q HA 0.442 4.778 4.340 -0.007 0.000 0.254 193 Q C -0.246 175.667 176.000 -0.146 0.000 1.032 193 Q CA 0.049 55.644 55.803 -0.348 0.000 0.798 193 Q CB 1.339 29.599 28.738 -0.796 0.000 1.210 193 Q HN 0.673 nan 8.270 nan 0.000 0.491 194 K N 1.792 122.149 120.400 -0.070 0.000 2.400 194 K HA 0.169 4.485 4.320 -0.007 0.000 0.194 194 K C -0.228 176.320 176.600 -0.087 0.000 1.033 194 K CA 0.211 56.462 56.287 -0.059 0.000 1.021 194 K CB 0.711 33.169 32.500 -0.071 0.000 0.808 194 K HN 0.332 nan 8.250 nan 0.000 0.505 195 V N 3.482 123.348 119.914 -0.081 0.000 2.407 195 V HA 0.170 4.286 4.120 -0.007 0.000 0.278 195 V C -2.405 173.703 176.094 0.023 0.000 1.037 195 V CA -2.346 59.875 62.300 -0.130 0.000 0.900 195 V CB 1.102 32.676 31.823 -0.415 0.000 0.983 195 V HN -0.002 nan 8.190 nan 0.000 0.459 196 P HA 0.254 nan 4.420 nan 0.000 0.264 196 P C -0.566 176.820 177.300 0.143 0.000 1.193 196 P CA 0.335 63.478 63.100 0.072 0.000 0.763 196 P CB 0.265 31.988 31.700 0.038 0.000 0.810 197 I N 0.856 121.499 120.570 0.123 0.000 2.969 197 I HA 0.713 4.879 4.170 -0.007 0.000 0.307 197 I C -2.794 173.318 176.117 -0.008 0.000 1.149 197 I CA -3.498 57.853 61.300 0.086 0.000 1.008 197 I CB 2.644 40.697 38.000 0.087 0.000 1.232 197 I HN 0.059 nan 8.210 nan 0.000 0.435 198 P HA 0.045 nan 4.420 nan 0.000 0.271 198 P C 0.935 178.132 177.300 -0.172 0.000 1.218 198 P CA -0.291 62.735 63.100 -0.123 0.000 0.780 198 P CB 1.089 32.709 31.700 -0.134 0.000 0.901 199 C N 1.629 120.898 119.300 -0.052 0.000 2.409 199 C HA -0.157 4.299 4.460 -0.007 0.000 0.284 199 C C 2.590 177.563 174.990 -0.027 0.000 1.354 199 C CA 0.630 59.615 59.018 -0.054 0.000 1.787 199 C CB -2.621 25.102 27.740 -0.030 0.000 1.900 199 C HN 0.651 nan 8.230 nan 0.000 0.520 200 Y N 0.970 121.309 120.300 0.066 0.000 2.483 200 Y HA 0.178 4.725 4.550 -0.006 0.000 0.291 200 Y C 1.851 177.745 175.900 -0.010 0.000 1.143 200 Y CA 0.797 58.937 58.100 0.067 0.000 1.289 200 Y CB -0.882 37.708 38.460 0.217 0.000 0.983 200 Y HN 0.287 nan 8.280 nan 0.000 0.556 201 L N 0.807 121.778 121.223 -0.419 0.000 2.591 201 L HA 0.194 4.530 4.340 -0.007 0.000 0.228 201 L C 0.366 177.117 176.870 -0.198 0.000 1.133 201 L CA -0.125 54.509 54.840 -0.343 0.000 0.880 201 L CB -0.118 41.677 42.059 -0.439 0.000 1.033 201 L HN 0.164 nan 8.230 nan 0.000 0.450 202 I N 1.009 121.468 120.570 -0.185 0.000 2.533 202 I HA 0.187 4.352 4.170 -0.007 0.000 0.284 202 I C 0.431 176.422 176.117 -0.211 0.000 1.109 202 I CA 0.175 61.327 61.300 -0.248 0.000 1.412 202 I CB 0.744 38.513 38.000 -0.385 0.000 1.396 202 I HN 0.022 nan 8.210 nan 0.000 0.543 203 A N 7.086 129.785 122.820 -0.202 0.000 2.515 203 A HA 0.875 5.191 4.320 -0.007 0.000 0.298 203 A C -1.579 175.938 177.584 -0.113 0.000 1.059 203 A CA -0.490 51.427 52.037 -0.199 0.000 0.698 203 A CB 1.817 20.542 19.000 -0.459 0.000 1.289 203 A HN 0.549 nan 8.150 nan 0.000 0.404 204 L N 1.796 123.019 121.223 -0.000 0.000 2.464 204 L HA 0.805 5.141 4.340 -0.007 0.000 0.266 204 L C -1.424 175.464 176.870 0.030 0.000 0.965 204 L CA -0.527 54.275 54.840 -0.062 0.000 0.833 204 L CB 1.918 43.896 42.059 -0.135 0.000 1.296 204 L HN 0.998 nan 8.230 nan 0.000 0.405 205 V N 5.648 125.497 119.914 -0.109 0.000 2.823 205 V HA 0.900 5.016 4.120 -0.007 0.000 0.312 205 V C -1.525 174.376 176.094 -0.322 0.000 1.072 205 V CA -0.346 61.821 62.300 -0.223 0.000 0.937 205 V CB 2.394 33.989 31.823 -0.380 0.000 1.013 205 V HN 0.598 nan 8.190 nan 0.000 0.430 206 V N 5.519 125.214 119.914 -0.366 0.000 2.668 206 V HA 1.009 5.125 4.120 -0.007 0.000 0.304 206 V C 0.289 176.137 176.094 -0.411 0.000 1.071 206 V CA 0.470 62.607 62.300 -0.272 0.000 0.894 206 V CB 1.116 32.933 31.823 -0.009 0.000 1.008 206 V HN 1.405 nan 8.190 nan 0.000 0.425 207 G N 2.756 111.310 108.800 -0.411 0.000 2.340 207 G HA2 0.620 4.576 3.960 -0.007 0.000 0.299 207 G HA3 0.620 4.576 3.960 -0.007 0.000 0.299 207 G C -1.067 173.719 174.900 -0.191 0.000 1.291 207 G CA -0.045 44.819 45.100 -0.395 0.000 0.841 207 G HN 1.140 nan 8.290 nan 0.000 0.500 208 A N 0.486 123.284 122.820 -0.036 0.000 2.922 208 A HA 0.659 4.975 4.320 -0.007 0.000 0.298 208 A C 0.074 177.707 177.584 0.082 0.000 1.588 208 A CA -0.080 51.949 52.037 -0.013 0.000 1.288 208 A CB -0.894 18.147 19.000 0.068 0.000 1.130 208 A HN 0.534 nan 8.150 nan 0.000 0.557 209 L N 1.353 122.619 121.223 0.072 0.000 2.322 209 L HA 0.558 4.893 4.340 -0.007 0.000 0.279 209 L C 0.317 177.343 176.870 0.259 0.000 1.036 209 L CA -0.338 54.613 54.840 0.186 0.000 0.807 209 L CB 1.673 43.831 42.059 0.164 0.000 1.226 209 L HN 0.618 nan 8.230 nan 0.000 0.433 210 E N 0.641 120.985 120.200 0.240 0.000 2.392 210 E HA 0.583 4.929 4.350 -0.007 0.000 0.269 210 E C -1.283 175.265 176.600 -0.087 0.000 0.924 210 E CA -0.655 55.807 56.400 0.104 0.000 0.784 210 E CB 2.608 32.335 29.700 0.045 0.000 1.292 210 E HN 0.642 nan 8.360 nan 0.000 0.447 211 S N 1.038 116.495 115.700 -0.405 0.000 2.570 211 S HA 0.719 5.185 4.470 -0.007 0.000 0.286 211 S C -0.766 173.578 174.600 -0.427 0.000 1.099 211 S CA -0.992 56.735 58.200 -0.789 0.000 0.913 211 S CB 2.303 64.418 63.200 -1.808 0.000 1.085 211 S HN 0.546 nan 8.310 nan 0.000 0.480 212 R N 0.838 121.126 120.500 -0.355 0.000 2.621 212 R HA 0.392 4.728 4.340 -0.007 0.000 0.284 212 R C -1.225 174.979 176.300 -0.159 0.000 0.998 212 R CA -0.476 55.508 56.100 -0.193 0.000 0.895 212 R CB 1.827 32.069 30.300 -0.096 0.000 1.195 212 R HN 0.872 nan 8.270 nan 0.000 0.450 213 Q N 4.190 123.928 119.800 -0.104 0.000 2.304 213 Q HA 0.225 4.561 4.340 -0.007 0.000 0.260 213 Q C 0.442 176.435 176.000 -0.012 0.000 0.965 213 Q CA 0.004 55.773 55.803 -0.056 0.000 0.898 213 Q CB 0.891 29.610 28.738 -0.032 0.000 1.196 213 Q HN 0.774 nan 8.270 nan 0.000 0.402 214 I N 0.125 120.704 120.570 0.016 0.000 4.338 214 I HA 0.608 4.774 4.170 -0.007 0.000 0.329 214 I C 0.354 176.502 176.117 0.052 0.000 1.378 214 I CA -0.271 61.054 61.300 0.042 0.000 1.170 214 I CB 1.011 39.054 38.000 0.071 0.000 1.206 214 I HN 0.536 nan 8.210 nan 0.000 0.432 215 G N 1.387 110.219 108.800 0.052 0.000 2.550 215 G HA2 0.391 4.347 3.960 -0.007 0.000 0.293 215 G HA3 0.391 4.347 3.960 -0.007 0.000 0.293 215 G C -2.710 172.223 174.900 0.055 0.000 1.402 215 G CA -0.382 44.750 45.100 0.054 0.000 0.784 215 G HN -0.232 nan 8.290 nan 0.000 0.482 216 P HA -0.041 nan 4.420 nan 0.000 0.220 216 P C 0.870 178.215 177.300 0.075 0.000 1.148 216 P CA 0.922 64.056 63.100 0.057 0.000 0.803 216 P CB 0.208 31.939 31.700 0.052 0.000 0.782 217 R N -1.711 118.842 120.500 0.089 0.000 2.690 217 R HA 0.387 4.723 4.340 -0.007 0.000 0.419 217 R C -0.791 175.595 176.300 0.144 0.000 1.090 217 R CA -0.314 55.859 56.100 0.121 0.000 1.064 217 R CB -0.199 30.183 30.300 0.136 0.000 1.391 217 R HN -0.202 nan 8.270 nan 0.000 0.586 218 T N 1.657 116.282 114.554 0.119 0.000 3.011 218 T HA 0.394 4.740 4.350 -0.007 0.000 0.303 218 T C -1.312 173.428 174.700 0.067 0.000 0.997 218 T CA -0.554 61.619 62.100 0.122 0.000 1.007 218 T CB 1.741 70.703 68.868 0.158 0.000 1.017 218 T HN -0.026 nan 8.240 nan 0.000 0.443 219 L N 2.917 124.169 121.223 0.048 0.000 2.331 219 L HA 0.670 5.006 4.340 -0.007 0.000 0.275 219 L C 0.004 176.829 176.870 -0.075 0.000 1.022 219 L CA -0.892 53.896 54.840 -0.087 0.000 0.812 219 L CB 1.693 43.606 42.059 -0.244 0.000 1.257 219 L HN 0.461 nan 8.230 nan 0.000 0.435 220 V N 2.832 122.669 119.914 -0.128 0.000 2.439 220 V HA 0.473 4.589 4.120 -0.007 0.000 0.282 220 V C -1.319 174.663 176.094 -0.187 0.000 1.039 220 V CA -0.370 61.910 62.300 -0.034 0.000 0.913 220 V CB 1.085 32.973 31.823 0.108 0.000 0.983 220 V HN 0.723 nan 8.190 nan 0.000 0.460 221 W N 5.149 126.452 121.300 0.004 0.000 2.632 221 W HA 0.774 5.430 4.660 -0.007 0.000 0.328 221 W C 0.136 176.647 176.519 -0.013 0.000 1.044 221 W CA -0.052 57.286 57.345 -0.013 0.000 1.225 221 W CB 2.120 31.546 29.460 -0.057 0.000 1.396 221 W HN 0.814 nan 8.180 nan 0.000 0.499 222 S N -0.074 115.768 115.700 0.236 0.000 2.703 222 S HA 0.412 4.878 4.470 -0.007 0.000 0.273 222 S C -0.856 173.849 174.600 0.174 0.000 1.178 222 S CA -1.299 57.003 58.200 0.170 0.000 0.838 222 S CB 1.300 64.571 63.200 0.118 0.000 1.178 222 S HN 0.480 nan 8.310 nan 0.000 0.494 223 E N 0.815 121.110 120.200 0.158 0.000 2.422 223 E HA 0.099 4.445 4.350 -0.007 0.000 0.260 223 E C 0.768 177.427 176.600 0.099 0.000 1.108 223 E CA -0.411 56.074 56.400 0.141 0.000 0.943 223 E CB 0.446 30.223 29.700 0.128 0.000 0.961 223 E HN 0.555 nan 8.360 nan 0.000 0.443 224 K N 2.134 122.587 120.400 0.089 0.000 2.074 224 K HA -0.252 4.064 4.320 -0.007 0.000 0.209 224 K C 1.337 177.966 176.600 0.049 0.000 1.048 224 K CA 1.783 58.108 56.287 0.063 0.000 0.926 224 K CB 0.015 32.551 32.500 0.060 0.000 0.713 224 K HN 0.390 nan 8.250 nan 0.000 0.444 225 E N 0.281 120.510 120.200 0.049 0.000 2.267 225 E HA -0.177 4.169 4.350 -0.007 0.000 0.197 225 E C 1.630 178.249 176.600 0.032 0.000 0.998 225 E CA 1.134 57.555 56.400 0.035 0.000 0.830 225 E CB 0.049 29.769 29.700 0.034 0.000 0.751 225 E HN 0.291 nan 8.360 nan 0.000 0.491 226 Q N -1.134 118.691 119.800 0.043 0.000 2.247 226 Q HA 0.135 4.471 4.340 -0.007 0.000 0.211 226 Q C 1.637 177.667 176.000 0.050 0.000 0.861 226 Q CA -0.016 55.814 55.803 0.045 0.000 0.949 226 Q CB 0.698 29.471 28.738 0.057 0.000 1.115 226 Q HN 0.092 nan 8.270 nan 0.000 0.507 227 V N 0.708 120.649 119.914 0.044 0.000 2.261 227 V HA -0.293 3.823 4.120 -0.007 0.000 0.246 227 V C 2.162 178.275 176.094 0.032 0.000 1.047 227 V CA 2.304 64.626 62.300 0.037 0.000 1.015 227 V CB -0.337 31.495 31.823 0.015 0.000 0.642 227 V HN 0.475 nan 8.190 nan 0.000 0.446 228 E N 0.224 120.436 120.200 0.021 0.000 2.077 228 E HA -0.297 4.049 4.350 -0.007 0.000 0.193 228 E C 2.300 178.916 176.600 0.026 0.000 0.989 228 E CA 1.729 58.140 56.400 0.019 0.000 0.800 228 E CB -0.099 29.603 29.700 0.003 0.000 0.746 228 E HN 0.564 nan 8.360 nan 0.000 0.452 229 K N -0.030 120.376 120.400 0.010 0.000 2.097 229 K HA -0.085 4.231 4.320 -0.007 0.000 0.205 229 K C 2.167 178.753 176.600 -0.025 0.000 1.050 229 K CA 1.564 57.848 56.287 -0.005 0.000 0.938 229 K CB 0.029 32.517 32.500 -0.019 0.000 0.718 229 K HN -0.005 nan 8.250 nan 0.000 0.442 230 S N 0.720 116.415 115.700 -0.008 0.000 2.382 230 S HA -0.125 4.341 4.470 -0.007 0.000 0.228 230 S C 2.060 176.660 174.600 0.000 0.000 1.027 230 S CA 1.045 59.231 58.200 -0.023 0.000 0.991 230 S CB -0.301 63.030 63.200 0.218 0.000 0.823 230 S HN 0.512 nan 8.310 nan 0.000 0.469 231 A N 0.775 123.635 122.820 0.066 0.000 1.908 231 A HA -0.173 4.142 4.320 -0.007 0.000 0.218 231 A C 1.989 179.609 177.584 0.061 0.000 1.181 231 A CA 1.789 53.874 52.037 0.080 0.000 0.627 231 A CB -0.982 18.056 19.000 0.064 0.000 0.818 231 A HN 0.592 nan 8.150 nan 0.000 0.445 232 Y N 0.160 120.419 120.300 -0.069 0.000 2.163 232 Y HA -0.128 4.418 4.550 -0.007 0.000 0.288 232 Y C 2.386 178.203 175.900 -0.138 0.000 1.136 232 Y CA 2.210 60.266 58.100 -0.074 0.000 1.147 232 Y CB -0.272 38.145 38.460 -0.071 0.000 0.987 232 Y HN 0.401 nan 8.280 nan 0.000 0.509 233 E N -0.180 119.911 120.200 -0.181 0.000 2.118 233 E HA -0.178 4.168 4.350 -0.007 0.000 0.195 233 E C 0.820 177.115 176.600 -0.509 0.000 0.992 233 E CA 1.558 57.678 56.400 -0.468 0.000 0.804 233 E CB -0.349 28.839 29.700 -0.853 0.000 0.741 233 E HN 0.450 nan 8.360 nan 0.000 0.458 234 F N -0.105 119.869 119.950 0.039 0.000 2.668 234 F HA 0.241 4.764 4.527 -0.007 0.000 0.297 234 F C 1.711 177.526 175.800 0.025 0.000 1.124 234 F CA 0.147 58.181 58.000 0.056 0.000 1.353 234 F CB -0.290 38.764 39.000 0.091 0.000 0.992 234 F HN -0.005 nan 8.300 nan 0.000 0.524 235 S N -0.914 114.808 115.700 0.038 0.000 2.474 235 S HA -0.146 4.320 4.470 -0.007 0.000 0.235 235 S C 1.391 176.008 174.600 0.029 0.000 0.997 235 S CA 0.849 59.050 58.200 0.002 0.000 0.949 235 S CB -0.412 62.710 63.200 -0.130 0.000 0.766 235 S HN 0.511 nan 8.310 nan 0.000 0.517 236 E N 0.926 121.161 120.200 0.058 0.000 2.511 236 E HA 0.020 4.366 4.350 -0.007 0.000 0.196 236 E C 1.507 178.155 176.600 0.081 0.000 1.066 236 E CA 0.671 57.109 56.400 0.063 0.000 0.871 236 E CB -0.302 29.452 29.700 0.091 0.000 0.863 236 E HN 0.531 nan 8.360 nan 0.000 0.520 237 T N 1.213 115.843 114.554 0.126 0.000 2.635 237 T HA -0.251 4.095 4.350 -0.007 0.000 0.267 237 T C 1.822 176.558 174.700 0.059 0.000 1.040 237 T CA 1.829 64.007 62.100 0.131 0.000 1.156 237 T CB -0.162 68.835 68.868 0.215 0.000 0.863 237 T HN 0.197 nan 8.240 nan 0.000 0.430 238 E N 1.432 121.667 120.200 0.058 0.000 2.110 238 E HA -0.119 4.227 4.350 -0.007 0.000 0.193 238 E C 2.339 178.940 176.600 0.001 0.000 0.988 238 E CA 1.703 58.117 56.400 0.024 0.000 0.804 238 E CB -0.432 29.288 29.700 0.033 0.000 0.745 238 E HN 0.542 nan 8.360 nan 0.000 0.458 239 S N -0.447 115.254 115.700 0.003 0.000 2.402 239 S HA -0.174 4.292 4.470 -0.007 0.000 0.229 239 S C 2.090 176.676 174.600 -0.024 0.000 1.021 239 S CA 1.344 59.535 58.200 -0.015 0.000 0.974 239 S CB -0.368 62.816 63.200 -0.026 0.000 0.800 239 S HN 0.320 nan 8.310 nan 0.000 0.484 240 M N 0.763 120.355 119.600 -0.014 0.000 2.175 240 M HA 0.092 4.568 4.480 -0.007 0.000 0.264 240 M C 2.194 178.470 176.300 -0.039 0.000 1.063 240 M CA 1.195 56.485 55.300 -0.017 0.000 1.119 240 M CB -0.606 32.003 32.600 0.016 0.000 1.377 240 M HN 0.299 nan 8.290 nan 0.000 0.415 241 L N 0.095 121.277 121.223 -0.069 0.000 2.042 241 L HA -0.252 4.084 4.340 -0.007 0.000 0.210 241 L C 2.509 179.376 176.870 -0.005 0.000 1.076 241 L CA 1.442 56.235 54.840 -0.079 0.000 0.749 241 L CB -0.616 41.333 42.059 -0.183 0.000 0.893 241 L HN 0.276 nan 8.230 nan 0.000 0.432 242 K N 0.085 120.477 120.400 -0.013 0.000 2.026 242 K HA -0.149 4.167 4.320 -0.007 0.000 0.208 242 K C 2.079 178.663 176.600 -0.027 0.000 1.048 242 K CA 1.390 57.676 56.287 -0.001 0.000 0.929 242 K CB -0.234 32.264 32.500 -0.002 0.000 0.713 242 K HN 0.260 nan 8.250 nan 0.000 0.439 243 I N 1.052 121.596 120.570 -0.044 0.000 2.226 243 I HA -0.274 3.891 4.170 -0.007 0.000 0.245 243 I C 2.532 178.573 176.117 -0.127 0.000 1.100 243 I CA 1.130 62.390 61.300 -0.066 0.000 1.374 243 I CB -0.387 37.582 38.000 -0.051 0.000 1.057 243 I HN 0.135 nan 8.210 nan 0.000 0.413 244 A N 0.408 123.139 122.820 -0.148 0.000 1.902 244 A HA -0.233 4.083 4.320 -0.007 0.000 0.217 244 A C 2.215 179.428 177.584 -0.618 0.000 1.181 244 A CA 1.729 53.548 52.037 -0.363 0.000 0.623 244 A CB -0.597 18.249 19.000 -0.257 0.000 0.818 244 A HN 0.458 nan 8.150 nan 0.000 0.443 245 E N -0.683 119.378 120.200 -0.232 0.000 2.110 245 E HA -0.223 4.123 4.350 -0.007 0.000 0.193 245 E C 1.680 178.197 176.600 -0.138 0.000 0.988 245 E CA 1.132 57.490 56.400 -0.070 0.000 0.804 245 E CB -0.197 29.607 29.700 0.174 0.000 0.745 245 E HN 0.703 nan 8.360 nan 0.000 0.458 246 D N 0.102 120.428 120.400 -0.124 0.000 2.149 246 D HA -0.161 4.475 4.640 -0.007 0.000 0.198 246 D C 1.597 177.801 176.300 -0.160 0.000 0.990 246 D CA 0.849 54.786 54.000 -0.105 0.000 0.839 246 D CB 0.170 40.926 40.800 -0.074 0.000 0.948 246 D HN 0.009 nan 8.370 nan 0.000 0.460 247 L N -0.688 120.385 121.223 -0.251 0.000 2.162 247 L HA 0.280 4.616 4.340 -0.007 0.000 0.205 247 L C 2.411 179.082 176.870 -0.331 0.000 1.086 247 L CA 1.518 56.207 54.840 -0.251 0.000 0.778 247 L CB -0.892 41.020 42.059 -0.244 0.000 0.928 247 L HN 0.209 nan 8.230 nan 0.000 0.446 248 G N -2.035 106.400 108.800 -0.607 0.000 2.833 248 G HA2 0.452 4.408 3.960 -0.007 0.000 0.210 248 G HA3 0.452 4.408 3.960 -0.007 0.000 0.210 248 G C 0.720 175.379 174.900 -0.401 0.000 1.139 248 G CA 0.554 45.152 45.100 -0.837 0.000 0.771 248 G HN 0.613 nan 8.290 nan 0.000 0.535 249 G N -0.302 108.385 108.800 -0.188 0.000 2.631 249 G HA2 -0.026 3.930 3.960 -0.007 0.000 0.504 249 G HA3 -0.026 3.930 3.960 -0.007 0.000 0.504 249 G C -3.029 172.109 174.900 0.397 0.000 1.306 249 G CA -0.701 44.457 45.100 0.096 0.000 0.897 249 G HN 0.197 nan 8.290 nan 0.000 0.520 250 P HA 0.237 nan 4.420 nan 0.000 0.265 250 P C -0.414 177.151 177.300 0.441 0.000 1.193 250 P CA 0.150 63.446 63.100 0.327 0.000 0.765 250 P CB 0.206 32.000 31.700 0.156 0.000 0.823 251 Y N 4.427 124.919 120.300 0.321 0.000 2.537 251 Y HA 0.148 4.694 4.550 -0.007 0.000 0.339 251 Y C 1.246 177.121 175.900 -0.041 0.000 1.066 251 Y CA 0.045 58.193 58.100 0.081 0.000 1.357 251 Y CB 0.380 38.947 38.460 0.177 0.000 1.175 251 Y HN 0.214 nan 8.280 nan 0.000 0.525 252 V N 3.138 122.639 119.914 -0.688 0.000 3.647 252 V HA 0.056 4.172 4.120 -0.007 0.000 0.279 252 V C 0.568 176.200 176.094 -0.771 0.000 1.314 252 V CA 0.140 62.039 62.300 -0.668 0.000 1.125 252 V CB -0.726 30.665 31.823 -0.721 0.000 0.907 252 V HN 0.840 nan 8.190 nan 0.000 0.434 253 W N 1.233 122.068 121.300 -0.775 0.000 3.278 253 W HA 0.662 5.318 4.660 -0.007 0.000 0.308 253 W C 1.838 178.281 176.519 -0.127 0.000 1.253 253 W CA 0.693 57.760 57.345 -0.463 0.000 1.759 253 W CB 0.179 29.299 29.460 -0.567 0.000 1.093 253 W HN 0.514 nan 8.180 nan 0.000 0.648 254 G N 0.638 109.531 108.800 0.155 0.000 3.487 254 G HA2 -0.387 3.569 3.960 -0.007 0.000 0.295 254 G HA3 -0.387 3.569 3.960 -0.007 0.000 0.295 254 G C 0.201 175.356 174.900 0.425 0.000 1.454 254 G CA 0.347 45.597 45.100 0.250 0.000 1.039 254 G HN 0.183 nan 8.290 nan 0.000 0.624 255 Q N 0.150 120.172 119.800 0.369 0.000 2.306 255 Q HA 0.657 4.993 4.340 -0.007 0.000 0.241 255 Q C -1.054 175.231 176.000 0.476 0.000 0.948 255 Q CA -0.448 55.562 55.803 0.346 0.000 0.886 255 Q CB 0.834 29.719 28.738 0.244 0.000 1.227 255 Q HN 0.691 nan 8.270 nan 0.000 0.457 256 Y N 3.011 123.434 120.300 0.205 0.000 2.686 256 Y HA 0.364 4.910 4.550 -0.007 0.000 0.331 256 Y C -1.359 174.614 175.900 0.122 0.000 0.996 256 Y CA -0.843 57.339 58.100 0.136 0.000 1.293 256 Y CB 0.629 39.035 38.460 -0.090 0.000 1.092 256 Y HN 0.640 nan 8.280 nan 0.000 0.524 257 D N 4.101 124.376 120.400 -0.207 0.000 2.332 257 D HA 0.509 5.145 4.640 -0.007 0.000 0.252 257 D C -0.807 175.334 176.300 -0.264 0.000 1.050 257 D CA -0.151 53.806 54.000 -0.073 0.000 0.970 257 D CB 1.905 42.831 40.800 0.210 0.000 1.141 257 D HN 0.516 nan 8.370 nan 0.000 0.485 258 L N 1.139 122.327 121.223 -0.059 0.000 2.365 258 L HA 0.479 4.815 4.340 -0.007 0.000 0.273 258 L C -0.980 175.919 176.870 0.050 0.000 1.000 258 L CA -1.075 53.708 54.840 -0.096 0.000 0.819 258 L CB 1.831 43.804 42.059 -0.143 0.000 1.284 258 L HN 0.093 nan 8.230 nan 0.000 0.418 259 L N 3.926 125.119 121.223 -0.049 0.000 2.349 259 L HA 0.540 4.875 4.340 -0.007 0.000 0.278 259 L C -0.853 175.902 176.870 -0.191 0.000 0.996 259 L CA -0.303 54.476 54.840 -0.101 0.000 0.825 259 L CB 1.834 43.670 42.059 -0.371 0.000 1.243 259 L HN 0.253 nan 8.230 nan 0.000 0.412 260 V N 6.661 126.531 119.914 -0.072 0.000 2.368 260 V HA 0.312 4.428 4.120 -0.007 0.000 0.266 260 V C 0.541 176.544 176.094 -0.152 0.000 1.045 260 V CA -0.352 61.909 62.300 -0.065 0.000 0.899 260 V CB 0.854 32.743 31.823 0.110 0.000 1.006 260 V HN 0.674 nan 8.190 nan 0.000 0.470 261 L N 7.661 128.694 121.223 -0.318 0.000 2.479 261 L HA 0.406 4.742 4.340 -0.007 0.000 0.248 261 L C -1.932 174.769 176.870 -0.282 0.000 1.205 261 L CA -1.300 53.288 54.840 -0.420 0.000 0.817 261 L CB 0.370 41.936 42.059 -0.822 0.000 1.162 261 L HN 0.428 nan 8.230 nan 0.000 0.486 262 P HA 0.108 nan 4.420 nan 0.000 0.273 262 P C -2.258 174.999 177.300 -0.072 0.000 1.250 262 P CA -1.059 61.901 63.100 -0.233 0.000 0.793 262 P CB -0.065 31.443 31.700 -0.320 0.000 1.011 263 P HA -0.110 nan 4.420 nan 0.000 0.228 263 P C 0.953 178.307 177.300 0.091 0.000 1.151 263 P CA 1.295 64.428 63.100 0.054 0.000 0.770 263 P CB -0.336 31.397 31.700 0.055 0.000 0.786 264 S N -2.206 113.576 115.700 0.136 0.000 2.593 264 S HA 0.024 4.489 4.470 -0.007 0.000 0.217 264 S C 0.532 175.267 174.600 0.225 0.000 0.966 264 S CA -0.510 57.808 58.200 0.197 0.000 0.914 264 S CB -1.214 62.154 63.200 0.280 0.000 0.776 264 S HN -0.043 nan 8.310 nan 0.000 0.523 265 F N 4.875 124.789 119.950 -0.059 0.000 2.593 265 F HA 0.213 4.736 4.527 -0.006 0.000 0.393 265 F C -1.737 173.958 175.800 -0.175 0.000 1.037 265 F CA -2.182 55.693 58.000 -0.209 0.000 1.195 265 F CB 0.699 39.477 39.000 -0.369 0.000 1.034 265 F HN 0.040 nan 8.300 nan 0.000 0.552 266 P HA -0.059 nan 4.420 nan 0.000 0.229 266 P C -0.840 175.755 177.300 -1.176 0.000 1.160 266 P CA 1.334 63.850 63.100 -0.974 0.000 0.777 266 P CB 0.065 31.076 31.700 -1.148 0.000 0.814 267 Y N -1.842 117.859 120.300 -0.998 0.000 2.621 267 Y HA 0.565 5.110 4.550 -0.008 0.000 0.334 267 Y C 2.177 177.930 175.900 -0.245 0.000 1.074 267 Y CA -0.653 57.115 58.100 -0.554 0.000 1.149 267 Y CB 0.415 38.593 38.460 -0.470 0.000 1.302 267 Y HN -0.313 nan 8.280 nan 0.000 0.501 268 G N -0.162 108.666 108.800 0.046 0.000 2.402 268 G HA2 0.292 4.248 3.960 -0.007 0.000 0.216 268 G HA3 0.292 4.248 3.960 -0.007 0.000 0.216 268 G C 0.344 175.404 174.900 0.266 0.000 1.162 268 G CA 0.912 46.065 45.100 0.090 0.000 0.777 268 G HN 0.907 nan 8.290 nan 0.000 0.539 269 G N -1.595 107.399 108.800 0.324 0.000 2.698 269 G HA2 0.535 4.491 3.960 -0.007 0.000 0.293 269 G HA3 0.535 4.491 3.960 -0.007 0.000 0.293 269 G C -1.703 173.418 174.900 0.367 0.000 1.437 269 G CA -0.658 44.663 45.100 0.370 0.000 0.852 269 G HN 0.343 nan 8.290 nan 0.000 0.499 270 M N 1.222 121.015 119.600 0.321 0.000 2.326 270 M HA 0.411 4.886 4.480 -0.007 0.000 0.292 270 M C 0.010 176.340 176.300 0.050 0.000 1.081 270 M CA -0.800 54.598 55.300 0.163 0.000 0.919 270 M CB 2.032 34.739 32.600 0.178 0.000 1.634 270 M HN 0.532 nan 8.290 nan 0.000 0.451 271 E N 2.419 122.624 120.200 0.010 0.000 2.545 271 E HA 0.097 4.443 4.350 -0.007 0.000 0.271 271 E C -1.136 175.378 176.600 -0.144 0.000 1.508 271 E CA -0.047 56.355 56.400 0.003 0.000 1.774 271 E CB -1.079 28.621 29.700 -0.000 0.000 1.460 271 E HN 0.825 nan 8.360 nan 0.000 0.449 272 N N 3.544 122.111 118.700 -0.221 0.000 2.447 272 N HA 0.062 4.798 4.740 -0.007 0.000 0.263 272 N C -2.371 172.970 175.510 -0.282 0.000 1.226 272 N CA -0.954 51.910 53.050 -0.311 0.000 0.906 272 N CB 0.446 38.636 38.487 -0.494 0.000 1.060 272 N HN 0.234 nan 8.380 nan 0.000 0.468 273 P HA -0.061 nan 4.420 nan 0.000 0.267 273 P C 0.087 177.259 177.300 -0.214 0.000 1.205 273 P CA -0.021 62.771 63.100 -0.513 0.000 0.765 273 P CB 0.510 31.765 31.700 -0.741 0.000 0.828 274 C N 0.934 120.172 119.300 -0.104 0.000 5.467 274 C HA -0.201 4.255 4.460 -0.007 0.000 0.269 274 C C 0.475 175.441 174.990 -0.040 0.000 1.868 274 C CA 0.575 59.619 59.018 0.042 0.000 1.676 274 C CB -2.472 25.319 27.740 0.085 0.000 2.513 274 C HN 0.646 nan 8.230 nan 0.000 0.533 275 L N 1.141 122.296 121.223 -0.112 0.000 2.490 275 L HA 0.472 4.808 4.340 -0.007 0.000 0.261 275 L C -0.018 176.822 176.870 -0.051 0.000 1.232 275 L CA 0.433 55.223 54.840 -0.083 0.000 0.892 275 L CB 0.733 42.792 42.059 -0.001 0.000 1.085 275 L HN 0.186 nan 8.230 nan 0.000 0.491 276 T N 3.687 118.130 114.554 -0.185 0.000 2.901 276 T HA 0.374 4.720 4.350 -0.007 0.000 0.301 276 T C -0.274 174.491 174.700 0.108 0.000 1.012 276 T CA 0.473 62.539 62.100 -0.057 0.000 1.135 276 T CB 0.028 68.851 68.868 -0.075 0.000 0.936 276 T HN 0.126 nan 8.240 nan 0.000 0.539 277 F N 3.523 123.355 119.950 -0.196 0.000 2.404 277 F HA 0.551 5.074 4.527 -0.007 0.000 0.339 277 F C 0.506 176.116 175.800 -0.316 0.000 1.105 277 F CA -1.532 56.243 58.000 -0.376 0.000 1.087 277 F CB 0.919 39.558 39.000 -0.602 0.000 1.143 277 F HN 0.262 nan 8.300 nan 0.000 0.491 278 V N -0.601 119.183 119.914 -0.217 0.000 3.040 278 V HA 0.654 4.770 4.120 -0.007 0.000 0.312 278 V C -0.244 175.829 176.094 -0.035 0.000 1.115 278 V CA -0.915 61.349 62.300 -0.059 0.000 0.998 278 V CB 1.373 33.134 31.823 -0.103 0.000 1.042 278 V HN 0.722 nan 8.190 nan 0.000 0.433 279 T N 2.783 117.462 114.554 0.208 0.000 2.919 279 T HA 0.393 4.739 4.350 -0.007 0.000 0.302 279 T C -1.191 173.605 174.700 0.160 0.000 1.031 279 T CA -0.899 61.330 62.100 0.214 0.000 1.127 279 T CB 1.205 70.200 68.868 0.212 0.000 0.952 279 T HN 0.839 nan 8.240 nan 0.000 0.540 280 P HA -0.001 nan 4.420 nan 0.000 0.234 280 P C 1.237 178.627 177.300 0.149 0.000 1.167 280 P CA 0.708 63.886 63.100 0.131 0.000 0.763 280 P CB -0.384 31.359 31.700 0.072 0.000 0.835 281 T N -3.233 111.423 114.554 0.170 0.000 3.163 281 T HA 0.019 4.365 4.350 -0.007 0.000 0.260 281 T C 1.656 176.483 174.700 0.212 0.000 1.156 281 T CA 0.358 62.576 62.100 0.198 0.000 1.072 281 T CB -1.096 67.959 68.868 0.312 0.000 0.937 281 T HN 0.080 nan 8.240 nan 0.000 0.528 282 L N 0.019 121.383 121.223 0.235 0.000 2.478 282 L HA 0.270 4.606 4.340 -0.007 0.000 0.223 282 L C 0.972 177.951 176.870 0.182 0.000 1.140 282 L CA 0.381 55.380 54.840 0.265 0.000 0.842 282 L CB -0.385 41.928 42.059 0.424 0.000 0.953 282 L HN 0.313 nan 8.230 nan 0.000 0.452 283 L N 0.610 121.909 121.223 0.126 0.000 2.480 283 L HA 0.169 4.505 4.340 -0.007 0.000 0.243 283 L C 1.618 178.503 176.870 0.025 0.000 1.315 283 L CA -0.412 54.445 54.840 0.028 0.000 1.231 283 L CB 0.086 42.159 42.059 0.024 0.000 1.444 283 L HN 0.069 nan 8.230 nan 0.000 0.409 284 A N 0.834 123.674 122.820 0.033 0.000 2.119 284 A HA 0.241 4.557 4.320 -0.007 0.000 0.216 284 A C 1.923 179.513 177.584 0.010 0.000 1.152 284 A CA 0.986 53.037 52.037 0.024 0.000 0.708 284 A CB -0.137 18.881 19.000 0.030 0.000 0.805 284 A HN 0.788 nan 8.150 nan 0.000 0.460 285 G N -0.228 108.584 108.800 0.019 0.000 2.194 285 G HA2 -0.264 3.692 3.960 -0.007 0.000 0.236 285 G HA3 -0.264 3.692 3.960 -0.007 0.000 0.236 285 G C 0.227 175.190 174.900 0.105 0.000 0.987 285 G CA 0.917 46.028 45.100 0.019 0.000 0.635 285 G HN 0.970 nan 8.290 nan 0.000 0.520 286 D N -0.433 120.035 120.400 0.114 0.000 2.594 286 D HA 0.226 4.862 4.640 -0.007 0.000 0.256 286 D C 0.976 177.333 176.300 0.095 0.000 1.393 286 D CA 0.347 54.430 54.000 0.138 0.000 0.797 286 D CB -0.515 40.309 40.800 0.040 0.000 1.110 286 D HN 0.489 nan 8.370 nan 0.000 0.495 287 K N -0.080 120.364 120.400 0.075 0.000 3.349 287 K HA -0.241 4.075 4.320 -0.007 0.000 0.310 287 K C 1.122 177.784 176.600 0.103 0.000 1.267 287 K CA 1.128 57.445 56.287 0.051 0.000 0.920 287 K CB -2.372 30.133 32.500 0.009 0.000 1.240 287 K HN 0.358 nan 8.250 nan 0.000 0.453 288 S N 0.238 115.973 115.700 0.060 0.000 2.515 288 S HA -0.009 4.457 4.470 -0.007 0.000 0.231 288 S C 1.332 176.039 174.600 0.179 0.000 0.987 288 S CA 0.483 58.707 58.200 0.039 0.000 0.936 288 S CB -0.012 63.073 63.200 -0.190 0.000 0.766 288 S HN 0.414 nan 8.310 nan 0.000 0.528 289 L N 2.403 123.737 121.223 0.185 0.000 2.741 289 L HA 0.253 4.589 4.340 -0.007 0.000 0.237 289 L C 2.019 179.060 176.870 0.285 0.000 1.178 289 L CA 0.313 55.293 54.840 0.234 0.000 0.973 289 L CB -0.240 41.946 42.059 0.212 0.000 1.255 289 L HN 0.451 nan 8.230 nan 0.000 0.498 290 S N -0.421 115.463 115.700 0.307 0.000 2.547 290 S HA -0.144 4.322 4.470 -0.007 0.000 0.235 290 S C 1.684 176.466 174.600 0.302 0.000 0.980 290 S CA 0.788 59.189 58.200 0.335 0.000 0.941 290 S CB -0.507 62.890 63.200 0.328 0.000 0.763 290 S HN 0.655 nan 8.310 nan 0.000 0.532 291 N N 2.014 120.886 118.700 0.286 0.000 2.289 291 N HA -0.099 4.637 4.740 -0.007 0.000 0.184 291 N C 1.487 177.136 175.510 0.231 0.000 1.016 291 N CA 1.294 54.490 53.050 0.244 0.000 0.872 291 N CB -0.768 37.835 38.487 0.195 0.000 0.973 291 N HN 0.431 nan 8.380 nan 0.000 0.433 292 V N 1.738 121.784 119.914 0.220 0.000 2.343 292 V HA -0.171 3.945 4.120 -0.007 0.000 0.247 292 V C 2.566 178.808 176.094 0.246 0.000 1.051 292 V CA 1.024 63.448 62.300 0.206 0.000 1.036 292 V CB -0.407 31.518 31.823 0.171 0.000 0.654 292 V HN 0.203 nan 8.190 nan 0.000 0.451 293 I N 0.867 121.571 120.570 0.224 0.000 2.252 293 I HA -0.178 3.988 4.170 -0.007 0.000 0.245 293 I C 2.739 178.985 176.117 0.215 0.000 1.102 293 I CA 1.812 63.236 61.300 0.206 0.000 1.385 293 I CB -1.805 36.309 38.000 0.191 0.000 1.064 293 I HN 0.302 nan 8.210 nan 0.000 0.414 294 A N 0.319 123.266 122.820 0.212 0.000 1.908 294 A HA -0.295 4.021 4.320 -0.007 0.000 0.218 294 A C 2.330 180.027 177.584 0.188 0.000 1.181 294 A CA 2.188 54.329 52.037 0.173 0.000 0.627 294 A CB -1.165 17.941 19.000 0.177 0.000 0.818 294 A HN 0.550 nan 8.150 nan 0.000 0.445 295 H N -0.305 118.849 119.070 0.139 0.000 2.293 295 H HA -0.104 4.448 4.556 -0.007 0.000 0.300 295 H C 2.026 177.458 175.328 0.173 0.000 1.082 295 H CA 1.942 58.069 56.048 0.132 0.000 1.308 295 H CB 0.096 29.955 29.762 0.162 0.000 1.375 295 H HN 0.401 nan 8.280 nan 0.000 0.495 296 E N 0.442 120.877 120.200 0.392 0.000 2.077 296 E HA -0.139 4.207 4.350 -0.007 0.000 0.193 296 E C 2.573 179.355 176.600 0.304 0.000 0.989 296 E CA 0.964 57.606 56.400 0.403 0.000 0.800 296 E CB -0.282 29.652 29.700 0.389 0.000 0.746 296 E HN 0.596 nan 8.360 nan 0.000 0.452 297 I N 1.320 122.006 120.570 0.192 0.000 2.118 297 I HA -0.308 3.858 4.170 -0.007 0.000 0.241 297 I C 2.318 178.588 176.117 0.256 0.000 1.070 297 I CA 1.230 62.542 61.300 0.019 0.000 1.327 297 I CB -0.239 37.683 38.000 -0.131 0.000 1.034 297 I HN -0.022 nan 8.210 nan 0.000 0.405 298 S N -0.614 115.209 115.700 0.205 0.000 2.402 298 S HA -0.234 4.232 4.470 -0.007 0.000 0.233 298 S C 1.874 176.634 174.600 0.266 0.000 1.030 298 S CA 1.058 59.407 58.200 0.250 0.000 1.003 298 S CB -0.551 62.663 63.200 0.022 0.000 0.813 298 S HN 0.437 nan 8.310 nan 0.000 0.477 299 H N 1.413 120.567 119.070 0.141 0.000 2.518 299 H HA 0.038 4.590 4.556 -0.007 0.000 0.292 299 H C 2.109 177.474 175.328 0.062 0.000 1.068 299 H CA 1.068 57.171 56.048 0.092 0.000 1.275 299 H CB -0.345 29.448 29.762 0.051 0.000 1.375 299 H HN 0.335 nan 8.280 nan 0.000 0.563 300 S N -0.475 115.321 115.700 0.161 0.000 2.469 300 S HA -0.123 4.343 4.470 -0.007 0.000 0.238 300 S C 1.578 176.055 174.600 -0.206 0.000 0.998 300 S CA 0.553 58.651 58.200 -0.170 0.000 0.957 300 S CB 0.044 63.065 63.200 -0.297 0.000 0.764 300 S HN 0.534 nan 8.310 nan 0.000 0.514 301 W N 1.318 122.725 121.300 0.178 0.000 3.203 301 W HA 0.147 4.802 4.660 -0.007 0.000 0.255 301 W C 0.678 177.232 176.519 0.059 0.000 0.959 301 W CA 0.330 57.736 57.345 0.103 0.000 2.066 301 W CB -1.142 28.360 29.460 0.071 0.000 1.143 301 W HN 0.145 nan 8.180 nan 0.000 0.595 302 T N -0.305 114.447 114.554 0.331 0.000 2.863 302 T HA 0.564 4.910 4.350 -0.007 0.000 0.299 302 T C 0.634 175.483 174.700 0.249 0.000 0.973 302 T CA 0.616 62.841 62.100 0.208 0.000 0.994 302 T CB 0.785 69.781 68.868 0.213 0.000 0.961 302 T HN 0.418 nan 8.240 nan 0.000 0.552 303 G N 4.274 113.191 108.800 0.195 0.000 3.435 303 G HA2 -0.237 3.719 3.960 -0.007 0.000 0.197 303 G HA3 -0.237 3.719 3.960 -0.007 0.000 0.197 303 G C 0.947 175.941 174.900 0.155 0.000 1.497 303 G CA -0.141 45.105 45.100 0.243 0.000 1.043 303 G HN 0.532 nan 8.290 nan 0.000 0.466 304 N N 0.505 119.271 118.700 0.111 0.000 2.395 304 N HA 0.312 5.048 4.740 -0.007 0.000 0.175 304 N C 2.142 177.770 175.510 0.196 0.000 1.029 304 N CA 0.862 53.934 53.050 0.037 0.000 0.897 304 N CB 0.123 38.470 38.487 -0.233 0.000 0.991 304 N HN 0.470 nan 8.380 nan 0.000 0.441 305 L N -0.186 121.113 121.223 0.127 0.000 2.262 305 L HA 0.204 4.540 4.340 -0.007 0.000 0.197 305 L C 0.050 176.833 176.870 -0.145 0.000 1.073 305 L CA 0.445 55.235 54.840 -0.083 0.000 0.800 305 L CB 0.275 42.201 42.059 -0.222 0.000 0.987 305 L HN -0.162 nan 8.230 nan 0.000 0.470 306 V N 0.559 120.406 119.914 -0.112 0.000 2.350 306 V HA 0.276 4.392 4.120 -0.007 0.000 0.276 306 V C -0.313 175.729 176.094 -0.087 0.000 1.028 306 V CA -0.236 61.967 62.300 -0.162 0.000 0.860 306 V CB 1.223 32.865 31.823 -0.303 0.000 0.990 306 V HN 0.191 nan 8.190 nan 0.000 0.453 307 T N 4.812 119.315 114.554 -0.086 0.000 2.863 307 T HA 0.337 4.683 4.350 -0.007 0.000 0.285 307 T C 0.025 174.659 174.700 -0.110 0.000 1.009 307 T CA -0.713 61.365 62.100 -0.037 0.000 0.989 307 T CB 0.988 69.862 68.868 0.011 0.000 1.004 307 T HN 0.852 nan 8.240 nan 0.000 0.455 308 N N 2.245 120.874 118.700 -0.118 0.000 2.412 308 N HA 0.011 4.747 4.740 -0.007 0.000 0.258 308 N C 0.888 176.261 175.510 -0.228 0.000 1.236 308 N CA -0.364 52.583 53.050 -0.171 0.000 0.882 308 N CB 1.311 39.721 38.487 -0.128 0.000 1.066 308 N HN 0.592 nan 8.380 nan 0.000 0.465 309 K N 1.082 121.370 120.400 -0.186 0.000 2.097 309 K HA -0.099 4.217 4.320 -0.007 0.000 0.205 309 K C 0.581 177.070 176.600 -0.185 0.000 1.050 309 K CA 1.322 57.508 56.287 -0.168 0.000 0.938 309 K CB 0.109 32.521 32.500 -0.147 0.000 0.718 309 K HN 0.864 nan 8.250 nan 0.000 0.442 310 T N -5.187 109.289 114.554 -0.130 0.000 2.812 310 T HA 0.212 4.558 4.350 -0.007 0.000 0.294 310 T C -0.123 174.436 174.700 -0.235 0.000 1.159 310 T CA -0.928 61.042 62.100 -0.216 0.000 1.008 310 T CB 0.186 69.069 68.868 0.026 0.000 1.289 310 T HN 0.274 nan 8.240 nan 0.000 0.514 311 W N 0.162 121.486 121.300 0.041 0.000 2.825 311 W HA 0.155 4.809 4.660 -0.009 0.000 0.243 311 W C 1.235 177.757 176.519 0.005 0.000 1.293 311 W CA -0.071 57.264 57.345 -0.016 0.000 1.403 311 W CB -0.136 29.239 29.460 -0.142 0.000 1.134 311 W HN 0.697 nan 8.180 nan 0.000 0.666 312 D N -1.265 119.197 120.400 0.103 0.000 2.264 312 D HA -0.128 4.508 4.640 -0.007 0.000 0.208 312 D C 1.360 177.545 176.300 -0.192 0.000 0.966 312 D CA 1.238 55.196 54.000 -0.071 0.000 0.864 312 D CB -0.271 40.383 40.800 -0.243 0.000 0.933 312 D HN 0.316 nan 8.370 nan 0.000 0.499 313 H N -0.987 118.206 119.070 0.205 0.000 2.487 313 H HA 0.066 4.618 4.556 -0.005 0.000 0.290 313 H C 1.084 176.476 175.328 0.107 0.000 1.081 313 H CA -0.367 55.782 56.048 0.167 0.000 1.116 313 H CB -0.167 29.613 29.762 0.029 0.000 1.560 313 H HN 0.072 nan 8.280 nan 0.000 0.548 314 F N 2.300 122.331 119.950 0.134 0.000 2.192 314 F HA -0.262 4.261 4.527 -0.007 0.000 0.301 314 F C 2.354 178.200 175.800 0.078 0.000 1.079 314 F CA 1.224 59.308 58.000 0.139 0.000 1.303 314 F CB -0.272 38.867 39.000 0.231 0.000 1.024 314 F HN 0.387 nan 8.300 nan 0.000 0.494 315 W N 0.661 121.959 121.300 -0.002 0.000 2.350 315 W HA -0.211 4.444 4.660 -0.007 0.000 0.289 315 W C 1.599 178.044 176.519 -0.123 0.000 1.215 315 W CA 1.040 58.294 57.345 -0.151 0.000 1.236 315 W CB -1.498 27.921 29.460 -0.069 0.000 1.130 315 W HN 0.126 nan 8.180 nan 0.000 0.541 316 L N 1.520 122.079 121.223 -1.107 0.000 2.042 316 L HA -0.303 4.033 4.340 -0.007 0.000 0.210 316 L C 2.548 179.241 176.870 -0.295 0.000 1.076 316 L CA 2.057 56.315 54.840 -0.971 0.000 0.749 316 L CB -1.104 40.510 42.059 -0.742 0.000 0.893 316 L HN -0.006 nan 8.230 nan 0.000 0.432 317 N N -0.511 118.051 118.700 -0.231 0.000 2.080 317 N HA -0.157 4.579 4.740 -0.007 0.000 0.189 317 N C 1.827 177.286 175.510 -0.083 0.000 1.036 317 N CA 1.188 54.199 53.050 -0.065 0.000 0.846 317 N CB -0.078 38.396 38.487 -0.022 0.000 1.015 317 N HN 0.287 nan 8.380 nan 0.000 0.423 318 E N -0.517 119.469 120.200 -0.355 0.000 2.140 318 E HA 0.103 4.449 4.350 -0.007 0.000 0.191 318 E C 2.039 178.574 176.600 -0.108 0.000 0.973 318 E CA 0.631 56.801 56.400 -0.382 0.000 0.829 318 E CB -0.579 28.428 29.700 -1.154 0.000 0.781 318 E HN 0.370 nan 8.360 nan 0.000 0.466 319 G N 0.910 109.703 108.800 -0.011 0.000 2.418 319 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.217 319 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.217 319 G C 1.246 176.226 174.900 0.133 0.000 1.158 319 G CA 0.942 46.142 45.100 0.166 0.000 0.771 319 G HN 0.304 nan 8.290 nan 0.000 0.545 320 H N -0.145 118.979 119.070 0.090 0.000 2.387 320 H HA 0.015 4.567 4.556 -0.007 0.000 0.299 320 H C 2.854 178.291 175.328 0.182 0.000 1.090 320 H CA 1.736 57.880 56.048 0.159 0.000 1.332 320 H CB -0.060 29.754 29.762 0.088 0.000 1.386 320 H HN 0.278 nan 8.280 nan 0.000 0.516 321 T N -0.399 114.224 114.554 0.115 0.000 2.857 321 T HA -0.087 4.259 4.350 -0.007 0.000 0.266 321 T C 2.238 176.931 174.700 -0.011 0.000 1.048 321 T CA 1.048 63.059 62.100 -0.148 0.000 1.139 321 T CB -0.233 68.186 68.868 -0.750 0.000 0.874 321 T HN 0.096 nan 8.240 nan 0.000 0.455 322 V N 0.482 120.515 119.914 0.198 0.000 2.427 322 V HA -0.140 3.976 4.120 -0.007 0.000 0.248 322 V C 1.972 178.288 176.094 0.370 0.000 1.051 322 V CA 1.429 63.920 62.300 0.319 0.000 1.048 322 V CB -0.689 31.347 31.823 0.354 0.000 0.666 322 V HN 0.506 nan 8.190 nan 0.000 0.456 323 Y N 0.423 120.970 120.300 0.411 0.000 2.145 323 Y HA -0.206 4.340 4.550 -0.007 0.000 0.286 323 Y C 2.222 178.326 175.900 0.340 0.000 1.145 323 Y CA 1.720 60.087 58.100 0.446 0.000 1.148 323 Y CB -0.121 38.531 38.460 0.320 0.000 0.981 323 Y HN 0.123 nan 8.280 nan 0.000 0.507 324 L N 0.049 121.490 121.223 0.364 0.000 2.072 324 L HA -0.183 4.153 4.340 -0.007 0.000 0.205 324 L C 2.547 179.493 176.870 0.127 0.000 1.079 324 L CA 1.691 56.671 54.840 0.233 0.000 0.752 324 L CB -0.722 41.447 42.059 0.184 0.000 0.906 324 L HN 0.320 nan 8.230 nan 0.000 0.436 325 E N 0.883 121.146 120.200 0.106 0.000 2.108 325 E HA -0.305 4.041 4.350 -0.007 0.000 0.203 325 E C 2.279 178.916 176.600 0.061 0.000 1.022 325 E CA 1.754 58.216 56.400 0.104 0.000 0.823 325 E CB 0.011 29.812 29.700 0.169 0.000 0.744 325 E HN 0.413 nan 8.360 nan 0.000 0.456 326 R N -0.963 119.529 120.500 -0.014 0.000 2.115 326 R HA -0.063 4.273 4.340 -0.007 0.000 0.226 326 R C 2.537 178.754 176.300 -0.138 0.000 1.100 326 R CA 1.019 57.041 56.100 -0.130 0.000 0.980 326 R CB -0.244 29.898 30.300 -0.262 0.000 0.875 326 R HN 0.370 nan 8.270 nan 0.000 0.445 327 H N 0.692 119.715 119.070 -0.078 0.000 2.357 327 H HA -0.035 4.517 4.556 -0.007 0.000 0.301 327 H C 2.178 177.505 175.328 -0.001 0.000 1.082 327 H CA 1.323 57.339 56.048 -0.054 0.000 1.342 327 H CB -0.026 29.683 29.762 -0.088 0.000 1.389 327 H HN 0.151 nan 8.280 nan 0.000 0.511 328 I N -0.079 120.568 120.570 0.129 0.000 2.127 328 I HA -0.326 3.840 4.170 -0.007 0.000 0.241 328 I C 2.694 178.866 176.117 0.092 0.000 1.075 328 I CA 1.129 62.476 61.300 0.079 0.000 1.334 328 I CB -0.357 37.682 38.000 0.064 0.000 1.040 328 I HN 0.217 nan 8.210 nan 0.000 0.405 329 C N 0.886 120.278 119.300 0.153 0.000 2.425 329 C HA -0.082 4.374 4.460 -0.007 0.000 0.277 329 C C 2.972 178.167 174.990 0.341 0.000 1.280 329 C CA 0.931 60.131 59.018 0.303 0.000 1.744 329 C CB -1.760 26.180 27.740 0.334 0.000 1.989 329 C HN 0.693 nan 8.230 nan 0.000 0.491 330 G N 0.298 109.224 108.800 0.211 0.000 2.418 330 G HA2 -0.185 3.771 3.960 -0.007 0.000 0.217 330 G HA3 -0.185 3.771 3.960 -0.007 0.000 0.217 330 G C 1.832 176.832 174.900 0.166 0.000 1.158 330 G CA 0.431 45.660 45.100 0.215 0.000 0.771 330 G HN 0.471 nan 8.290 nan 0.000 0.545 331 R N -0.060 120.503 120.500 0.105 0.000 2.075 331 R HA 0.094 4.430 4.340 -0.007 0.000 0.232 331 R C 2.666 178.926 176.300 -0.067 0.000 1.126 331 R CA 0.643 56.763 56.100 0.033 0.000 0.963 331 R CB -0.782 29.526 30.300 0.013 0.000 0.858 331 R HN 0.385 nan 8.270 nan 0.000 0.435 332 L N -0.786 120.323 121.223 -0.189 0.000 2.093 332 L HA -0.097 4.239 4.340 -0.007 0.000 0.208 332 L C 1.312 177.783 176.870 -0.665 0.000 1.085 332 L CA 1.282 55.780 54.840 -0.570 0.000 0.755 332 L CB -0.107 41.330 42.059 -1.035 0.000 0.904 332 L HN 0.076 nan 8.230 nan 0.000 0.435 333 F N -1.155 118.838 119.950 0.072 0.000 2.798 333 F HA 0.472 4.995 4.527 -0.007 0.000 0.328 333 F C 0.930 176.760 175.800 0.051 0.000 1.098 333 F CA -0.030 57.964 58.000 -0.011 0.000 1.172 333 F CB 0.504 39.383 39.000 -0.203 0.000 1.072 333 F HN -0.011 nan 8.300 nan 0.000 0.555 334 G N 0.819 109.777 108.800 0.264 0.000 2.539 334 G HA2 -0.118 3.838 3.960 -0.007 0.000 0.686 334 G HA3 -0.118 3.838 3.960 -0.007 0.000 0.686 334 G C 0.066 175.120 174.900 0.256 0.000 1.258 334 G CA -0.307 44.920 45.100 0.212 0.000 0.846 334 G HN 0.050 nan 8.290 nan 0.000 0.647 335 E N 0.112 120.431 120.200 0.198 0.000 2.150 335 E HA 0.011 4.357 4.350 -0.007 0.000 0.193 335 E C 2.253 178.998 176.600 0.241 0.000 0.985 335 E CA 2.002 58.534 56.400 0.220 0.000 0.814 335 E CB -0.082 29.718 29.700 0.167 0.000 0.752 335 E HN 0.568 nan 8.360 nan 0.000 0.466 336 K N -0.771 119.743 120.400 0.190 0.000 2.148 336 K HA -0.105 4.211 4.320 -0.007 0.000 0.204 336 K C 1.861 178.649 176.600 0.314 0.000 1.050 336 K CA 1.086 57.488 56.287 0.191 0.000 0.942 336 K CB -0.260 32.323 32.500 0.138 0.000 0.724 336 K HN 0.151 nan 8.250 nan 0.000 0.446 337 F N 2.112 122.146 119.950 0.140 0.000 2.113 337 F HA -0.122 4.401 4.527 -0.006 0.000 0.297 337 F C 2.417 178.333 175.800 0.193 0.000 1.103 337 F CA 1.290 59.367 58.000 0.128 0.000 1.248 337 F CB -0.202 38.841 39.000 0.072 0.000 0.999 337 F HN -0.148 nan 8.300 nan 0.000 0.475 338 R N -0.678 119.894 120.500 0.119 0.000 2.103 338 R HA -0.218 4.118 4.340 -0.007 0.000 0.242 338 R C 2.429 178.718 176.300 -0.019 0.000 1.142 338 R CA 2.114 58.196 56.100 -0.031 0.000 0.960 338 R CB -0.683 29.629 30.300 0.020 0.000 0.858 338 R HN 0.455 nan 8.270 nan 0.000 0.439 339 H N -1.245 117.863 119.070 0.063 0.000 2.389 339 H HA -0.159 4.394 4.556 -0.006 0.000 0.299 339 H C 1.966 177.374 175.328 0.133 0.000 1.081 339 H CA 1.594 57.734 56.048 0.154 0.000 1.345 339 H CB -0.206 29.712 29.762 0.260 0.000 1.393 339 H HN 0.266 nan 8.280 nan 0.000 0.520 340 F N 2.293 122.292 119.950 0.082 0.000 2.095 340 F HA -0.237 4.287 4.527 -0.006 0.000 0.298 340 F C 1.873 177.572 175.800 -0.169 0.000 1.104 340 F CA 1.827 59.816 58.000 -0.018 0.000 1.232 340 F CB -0.364 38.643 39.000 0.011 0.000 0.987 340 F HN 0.039 nan 8.300 nan 0.000 0.475 341 N N 0.093 118.653 118.700 -0.234 0.000 2.188 341 N HA -0.093 4.642 4.740 -0.007 0.000 0.184 341 N C 1.979 177.233 175.510 -0.427 0.000 1.018 341 N CA 0.930 53.738 53.050 -0.404 0.000 0.858 341 N CB -0.348 37.863 38.487 -0.459 0.000 0.989 341 N HN 0.402 nan 8.380 nan 0.000 0.426 342 A N 0.886 123.482 122.820 -0.374 0.000 1.902 342 A HA -0.096 4.220 4.320 -0.007 0.000 0.217 342 A C 2.080 179.553 177.584 -0.186 0.000 1.181 342 A CA 1.006 52.838 52.037 -0.342 0.000 0.623 342 A CB -0.593 18.242 19.000 -0.275 0.000 0.818 342 A HN 0.260 nan 8.150 nan 0.000 0.443 343 L N 0.033 121.085 121.223 -0.285 0.000 2.109 343 L HA 0.087 4.423 4.340 -0.007 0.000 0.207 343 L C 2.337 178.980 176.870 -0.379 0.000 1.086 343 L CA 2.109 56.609 54.840 -0.567 0.000 0.760 343 L CB -1.088 40.710 42.059 -0.434 0.000 0.910 343 L HN 0.279 nan 8.230 nan 0.000 0.437 344 G N -0.785 107.759 108.800 -0.427 0.000 2.442 344 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.219 344 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.219 344 G C 1.516 176.285 174.900 -0.217 0.000 1.141 344 G CA 0.606 45.490 45.100 -0.360 0.000 0.763 344 G HN 0.583 nan 8.290 nan 0.000 0.554 345 G N -0.161 108.507 108.800 -0.220 0.000 2.422 345 G HA2 -0.244 3.712 3.960 -0.007 0.000 0.218 345 G HA3 -0.244 3.712 3.960 -0.007 0.000 0.218 345 G C 1.582 176.473 174.900 -0.015 0.000 1.146 345 G CA 0.828 45.840 45.100 -0.147 0.000 0.769 345 G HN 0.429 nan 8.290 nan 0.000 0.547 346 W N 1.953 123.167 121.300 -0.143 0.000 2.338 346 W HA -0.111 4.546 4.660 -0.005 0.000 0.304 346 W C 2.225 178.685 176.519 -0.100 0.000 1.212 346 W CA 1.670 58.964 57.345 -0.084 0.000 1.264 346 W CB -0.447 28.910 29.460 -0.171 0.000 1.142 346 W HN 0.225 nan 8.180 nan 0.000 0.512 347 G N 0.267 109.070 108.800 0.005 0.000 2.408 347 G HA2 -0.256 3.700 3.960 -0.007 0.000 0.217 347 G HA3 -0.256 3.700 3.960 -0.007 0.000 0.217 347 G C 1.355 176.181 174.900 -0.123 0.000 1.150 347 G CA 0.766 45.830 45.100 -0.061 0.000 0.776 347 G HN 0.204 nan 8.290 nan 0.000 0.542 348 E N 0.099 120.227 120.200 -0.121 0.000 2.106 348 E HA -0.074 4.272 4.350 -0.007 0.000 0.192 348 E C 2.453 178.966 176.600 -0.145 0.000 0.984 348 E CA 0.474 56.804 56.400 -0.116 0.000 0.806 348 E CB -0.333 29.305 29.700 -0.104 0.000 0.750 348 E HN 0.400 nan 8.360 nan 0.000 0.458 349 L N 1.547 122.652 121.223 -0.196 0.000 2.056 349 L HA -0.187 4.149 4.340 -0.007 0.000 0.207 349 L C 2.227 178.910 176.870 -0.312 0.000 1.078 349 L CA 1.701 56.385 54.840 -0.260 0.000 0.749 349 L CB -0.404 41.427 42.059 -0.380 0.000 0.901 349 L HN 0.042 nan 8.230 nan 0.000 0.433 350 Q N -0.627 118.947 119.800 -0.377 0.000 2.061 350 Q HA -0.228 4.108 4.340 -0.007 0.000 0.204 350 Q C 1.971 177.868 176.000 -0.171 0.000 0.984 350 Q CA 1.780 57.415 55.803 -0.279 0.000 0.846 350 Q CB -0.330 28.288 28.738 -0.200 0.000 0.902 350 Q HN 0.566 nan 8.270 nan 0.000 0.421 351 N N 0.196 118.806 118.700 -0.151 0.000 2.069 351 N HA -0.127 4.608 4.740 -0.007 0.000 0.191 351 N C 1.857 177.278 175.510 -0.149 0.000 1.031 351 N CA 1.473 54.445 53.050 -0.130 0.000 0.852 351 N CB -0.501 37.918 38.487 -0.113 0.000 1.018 351 N HN 0.049 nan 8.380 nan 0.000 0.423 352 S N 0.076 115.690 115.700 -0.145 0.000 2.368 352 S HA -0.018 4.448 4.470 -0.007 0.000 0.224 352 S C 2.185 176.741 174.600 -0.074 0.000 1.029 352 S CA 0.566 58.674 58.200 -0.153 0.000 0.988 352 S CB -0.153 63.017 63.200 -0.049 0.000 0.838 352 S HN 0.087 nan 8.310 nan 0.000 0.462 353 V N 1.711 121.602 119.914 -0.038 0.000 2.427 353 V HA -0.153 3.962 4.120 -0.007 0.000 0.248 353 V C 2.324 178.409 176.094 -0.014 0.000 1.051 353 V CA 1.795 64.100 62.300 0.010 0.000 1.048 353 V CB -0.476 31.305 31.823 -0.070 0.000 0.666 353 V HN 0.408 nan 8.190 nan 0.000 0.456 354 K N -0.213 120.145 120.400 -0.070 0.000 2.057 354 K HA -0.162 4.154 4.320 -0.007 0.000 0.206 354 K C 2.192 178.745 176.600 -0.079 0.000 1.050 354 K CA 1.889 58.136 56.287 -0.066 0.000 0.935 354 K CB -0.330 32.124 32.500 -0.078 0.000 0.715 354 K HN 0.447 nan 8.250 nan 0.000 0.439 355 T N 0.339 114.804 114.554 -0.149 0.000 2.708 355 T HA -0.108 4.238 4.350 -0.007 0.000 0.266 355 T C 1.371 175.939 174.700 -0.220 0.000 1.037 355 T CA 1.559 63.519 62.100 -0.232 0.000 1.146 355 T CB -0.279 68.359 68.868 -0.384 0.000 0.865 355 T HN 0.137 nan 8.240 nan 0.000 0.435 356 F N 1.181 121.057 119.950 -0.122 0.000 2.367 356 F HA 0.338 4.862 4.527 -0.005 0.000 0.298 356 F C 1.784 177.534 175.800 -0.083 0.000 1.094 356 F CA 0.495 58.367 58.000 -0.214 0.000 1.409 356 F CB -0.675 38.120 39.000 -0.342 0.000 1.064 356 F HN 0.370 nan 8.300 nan 0.000 0.528 357 G N 0.500 109.384 108.800 0.140 0.000 2.712 357 G HA2 -0.177 3.779 3.960 -0.007 0.000 0.686 357 G HA3 -0.177 3.779 3.960 -0.007 0.000 0.686 357 G C 0.510 175.471 174.900 0.101 0.000 1.181 357 G CA -0.182 44.975 45.100 0.095 0.000 0.762 357 G HN 0.424 nan 8.290 nan 0.000 0.641 358 E N -0.940 119.287 120.200 0.045 0.000 2.418 358 E HA -0.013 4.333 4.350 -0.007 0.000 0.197 358 E C 1.630 178.239 176.600 0.015 0.000 1.026 358 E CA 1.477 57.888 56.400 0.019 0.000 0.862 358 E CB -0.022 29.673 29.700 -0.009 0.000 0.799 358 E HN 1.002 nan 8.360 nan 0.000 0.518 359 T N -2.479 112.089 114.554 0.024 0.000 3.174 359 T HA 0.089 4.435 4.350 -0.007 0.000 0.269 359 T C -0.060 174.636 174.700 -0.008 0.000 1.017 359 T CA -0.589 61.511 62.100 -0.001 0.000 0.899 359 T CB -0.479 68.377 68.868 -0.020 0.000 1.077 359 T HN 0.266 nan 8.240 nan 0.000 0.552 360 H N 2.857 121.883 119.070 -0.075 0.000 2.764 360 H HA 0.248 4.805 4.556 0.001 0.000 0.341 360 H C -1.349 173.864 175.328 -0.192 0.000 1.072 360 H CA -1.516 54.435 56.048 -0.162 0.000 1.444 360 H CB 1.353 31.017 29.762 -0.163 0.000 1.458 360 H HN -0.065 nan 8.280 nan 0.000 0.572 361 P HA -0.189 nan 4.420 nan 0.000 0.220 361 P C 0.743 178.144 177.300 0.169 0.000 1.148 361 P CA 1.013 64.058 63.100 -0.092 0.000 0.803 361 P CB 0.117 31.705 31.700 -0.187 0.000 0.782 362 F N 0.598 120.599 119.950 0.086 0.000 2.699 362 F HA -0.003 4.522 4.527 -0.003 0.000 0.298 362 F C 2.008 177.622 175.800 -0.311 0.000 1.154 362 F CA 0.924 58.755 58.000 -0.282 0.000 1.457 362 F CB -2.039 36.444 39.000 -0.861 0.000 1.106 362 F HN 0.069 nan 8.300 nan 0.000 0.585 363 T N -3.134 111.422 114.554 0.003 0.000 3.107 363 T HA 0.091 4.437 4.350 -0.007 0.000 0.249 363 T C 0.719 175.433 174.700 0.023 0.000 1.096 363 T CA -0.184 61.934 62.100 0.029 0.000 1.012 363 T CB -0.164 68.736 68.868 0.053 0.000 0.977 363 T HN -0.011 nan 8.240 nan 0.000 0.527 364 K N 0.395 120.822 120.400 0.045 0.000 2.202 364 K HA 0.364 4.680 4.320 -0.007 0.000 0.264 364 K C 0.773 177.381 176.600 0.013 0.000 1.010 364 K CA -0.629 55.677 56.287 0.032 0.000 0.940 364 K CB 1.146 33.694 32.500 0.079 0.000 0.983 364 K HN -0.052 nan 8.250 nan 0.000 0.475 365 L N 2.497 123.682 121.223 -0.064 0.000 2.044 365 L HA -0.033 4.303 4.340 -0.007 0.000 0.205 365 L C 0.201 177.028 176.870 -0.072 0.000 1.075 365 L CA 1.528 56.271 54.840 -0.162 0.000 0.747 365 L CB 0.406 42.195 42.059 -0.451 0.000 0.903 365 L HN 0.292 nan 8.230 nan 0.000 0.435 366 V N 1.634 121.530 119.914 -0.030 0.000 2.383 366 V HA 0.357 4.473 4.120 -0.007 0.000 0.275 366 V C -0.121 176.059 176.094 0.144 0.000 1.036 366 V CA -0.604 61.774 62.300 0.129 0.000 0.889 366 V CB 1.020 32.987 31.823 0.239 0.000 0.985 366 V HN 0.092 nan 8.190 nan 0.000 0.459 367 V N 1.310 121.288 119.914 0.108 0.000 2.850 367 V HA 0.715 4.831 4.120 -0.007 0.000 0.315 367 V C -0.489 175.654 176.094 0.083 0.000 1.064 367 V CA -0.802 61.562 62.300 0.108 0.000 0.979 367 V CB 2.093 33.971 31.823 0.091 0.000 1.039 367 V HN 0.754 nan 8.190 nan 0.000 0.452 368 D N 2.028 122.486 120.400 0.097 0.000 2.427 368 D HA 0.371 5.007 4.640 -0.007 0.000 0.226 368 D C 0.302 176.656 176.300 0.089 0.000 1.076 368 D CA -0.253 53.795 54.000 0.081 0.000 0.849 368 D CB 1.097 41.941 40.800 0.073 0.000 1.052 368 D HN 0.610 nan 8.370 nan 0.000 0.515 369 L N 2.842 124.112 121.223 0.078 0.000 2.653 369 L HA 0.143 4.479 4.340 -0.007 0.000 0.232 369 L C 0.574 177.509 176.870 0.108 0.000 1.169 369 L CA -0.042 54.840 54.840 0.071 0.000 0.951 369 L CB -0.214 41.876 42.059 0.052 0.000 1.181 369 L HN 0.311 nan 8.230 nan 0.000 0.460 370 T N 0.975 115.593 114.554 0.108 0.000 2.871 370 T HA -0.048 4.298 4.350 -0.007 0.000 0.296 370 T C 0.521 175.308 174.700 0.145 0.000 0.998 370 T CA 0.056 62.226 62.100 0.116 0.000 1.162 370 T CB 0.169 69.088 68.868 0.085 0.000 0.947 370 T HN 0.349 nan 8.240 nan 0.000 0.536 371 D N 0.481 121.002 120.400 0.201 0.000 2.955 371 D HA -0.159 4.477 4.640 -0.007 0.000 0.226 371 D C -0.133 176.320 176.300 0.255 0.000 1.178 371 D CA 0.719 54.879 54.000 0.266 0.000 0.808 371 D CB -0.860 40.036 40.800 0.160 0.000 1.099 371 D HN 0.427 nan 8.370 nan 0.000 0.421 372 I N 0.927 121.593 120.570 0.159 0.000 2.406 372 I HA 0.156 4.322 4.170 -0.007 0.000 0.290 372 I C 0.621 176.484 176.117 -0.424 0.000 0.999 372 I CA -0.770 60.507 61.300 -0.039 0.000 1.124 372 I CB 1.770 39.785 38.000 0.025 0.000 1.289 372 I HN -0.230 nan 8.210 nan 0.000 0.441 373 D N 8.827 128.707 120.400 -0.867 0.000 2.401 373 D HA 0.097 4.733 4.640 -0.007 0.000 0.254 373 D C -1.704 174.263 176.300 -0.555 0.000 1.192 373 D CA -1.570 51.730 54.000 -1.167 0.000 0.885 373 D CB 1.701 41.974 40.800 -0.879 0.000 1.147 373 D HN 0.208 nan 8.370 nan 0.000 0.478 374 P HA -0.115 nan 4.420 nan 0.000 0.218 374 P C 0.632 177.732 177.300 -0.335 0.000 1.146 374 P CA 0.824 63.669 63.100 -0.426 0.000 0.813 374 P CB 0.321 31.678 31.700 -0.571 0.000 0.778 375 D N -1.169 119.068 120.400 -0.272 0.000 2.178 375 D HA -0.079 4.557 4.640 -0.007 0.000 0.202 375 D C 1.920 178.179 176.300 -0.069 0.000 0.974 375 D CA 0.934 54.855 54.000 -0.131 0.000 0.841 375 D CB -0.404 40.359 40.800 -0.061 0.000 0.953 375 D HN 0.044 nan 8.370 nan 0.000 0.478 376 V N 1.240 121.077 119.914 -0.128 0.000 2.453 376 V HA -0.135 3.981 4.120 -0.007 0.000 0.247 376 V C 2.409 178.438 176.094 -0.109 0.000 1.048 376 V CA 1.668 63.940 62.300 -0.048 0.000 1.049 376 V CB -0.494 31.316 31.823 -0.022 0.000 0.672 376 V HN 0.166 nan 8.190 nan 0.000 0.457 377 A N -1.594 120.963 122.820 -0.439 0.000 2.072 377 A HA 0.017 4.333 4.320 -0.007 0.000 0.216 377 A C 1.125 178.485 177.584 -0.374 0.000 1.156 377 A CA -0.079 51.353 52.037 -1.009 0.000 0.701 377 A CB -0.450 17.838 19.000 -1.186 0.000 0.816 377 A HN 0.520 nan 8.150 nan 0.000 0.458 378 Y N 2.435 122.596 120.300 -0.231 0.000 2.881 378 Y HA 0.215 4.761 4.550 -0.008 0.000 0.335 378 Y C 0.712 176.692 175.900 0.134 0.000 1.263 378 Y CA 0.626 58.702 58.100 -0.040 0.000 1.572 378 Y CB 0.204 38.646 38.460 -0.031 0.000 1.237 378 Y HN 0.393 nan 8.280 nan 0.000 0.568 379 S N 1.411 116.885 115.700 -0.376 0.000 2.703 379 S HA 0.310 4.776 4.470 -0.007 0.000 0.273 379 S C 0.158 174.649 174.600 -0.181 0.000 1.178 379 S CA -0.405 57.698 58.200 -0.162 0.000 0.838 379 S CB 1.027 64.411 63.200 0.306 0.000 1.178 379 S HN 0.432 nan 8.310 nan 0.000 0.494 380 S N 0.315 115.968 115.700 -0.078 0.000 2.555 380 S HA 0.013 4.479 4.470 -0.007 0.000 0.230 380 S C 1.738 176.442 174.600 0.174 0.000 0.978 380 S CA 0.721 58.913 58.200 -0.014 0.000 0.934 380 S CB -0.586 62.565 63.200 -0.083 0.000 0.766 380 S HN 0.530 nan 8.310 nan 0.000 0.533 381 V N 3.278 123.295 119.914 0.171 0.000 2.233 381 V HA -0.136 3.979 4.120 -0.007 0.000 0.247 381 V C -0.368 175.837 176.094 0.185 0.000 1.050 381 V CA 1.792 64.185 62.300 0.156 0.000 1.010 381 V CB -1.642 30.266 31.823 0.142 0.000 0.637 381 V HN 0.363 nan 8.190 nan 0.000 0.444 382 P HA -0.151 nan 4.420 nan 0.000 0.220 382 P C 1.218 178.574 177.300 0.093 0.000 1.148 382 P CA 1.574 64.772 63.100 0.163 0.000 0.803 382 P CB -0.095 31.693 31.700 0.148 0.000 0.782 383 Y N 0.961 121.319 120.300 0.096 0.000 2.133 383 Y HA -0.121 4.424 4.550 -0.008 0.000 0.287 383 Y C 2.663 178.670 175.900 0.178 0.000 1.134 383 Y CA 1.419 59.591 58.100 0.120 0.000 1.133 383 Y CB -0.845 37.652 38.460 0.062 0.000 0.987 383 Y HN -0.057 nan 8.280 nan 0.000 0.502 384 E N -0.312 120.078 120.200 0.316 0.000 2.251 384 E HA -0.048 4.298 4.350 -0.007 0.000 0.194 384 E C 1.926 178.696 176.600 0.282 0.000 0.964 384 E CA 0.339 56.897 56.400 0.264 0.000 0.868 384 E CB -0.092 29.677 29.700 0.115 0.000 0.828 384 E HN 0.379 nan 8.360 nan 0.000 0.481 385 K N 0.829 121.341 120.400 0.187 0.000 2.155 385 K HA -0.049 4.267 4.320 -0.007 0.000 0.203 385 K C 2.037 178.762 176.600 0.208 0.000 1.052 385 K CA 1.173 57.567 56.287 0.178 0.000 0.948 385 K CB -0.141 32.394 32.500 0.058 0.000 0.728 385 K HN 0.100 nan 8.250 nan 0.000 0.448 386 G N 0.671 109.585 108.800 0.189 0.000 2.404 386 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.215 386 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.215 386 G C 1.318 176.365 174.900 0.245 0.000 1.174 386 G CA 0.579 45.808 45.100 0.214 0.000 0.780 386 G HN 0.401 nan 8.290 nan 0.000 0.537 387 F N 2.423 122.490 119.950 0.196 0.000 2.102 387 F HA 0.053 4.576 4.527 -0.008 0.000 0.298 387 F C 2.795 178.753 175.800 0.263 0.000 1.105 387 F CA 1.522 59.653 58.000 0.219 0.000 1.239 387 F CB -0.210 38.911 39.000 0.202 0.000 0.991 387 F HN 0.227 nan 8.300 nan 0.000 0.474 388 A N 0.587 123.682 122.820 0.458 0.000 1.917 388 A HA -0.220 4.096 4.320 -0.007 0.000 0.219 388 A C 2.110 179.811 177.584 0.195 0.000 1.182 388 A CA 1.910 54.255 52.037 0.514 0.000 0.633 388 A CB -1.316 18.172 19.000 0.813 0.000 0.819 388 A HN 0.544 nan 8.150 nan 0.000 0.448 389 L N -0.174 121.025 121.223 -0.041 0.000 2.017 389 L HA -0.095 4.241 4.340 -0.007 0.000 0.208 389 L C 2.276 178.887 176.870 -0.432 0.000 1.073 389 L CA 1.716 56.157 54.840 -0.665 0.000 0.745 389 L CB -0.566 41.154 42.059 -0.564 0.000 0.894 389 L HN 0.416 nan 8.230 nan 0.000 0.432 390 L N -1.839 119.207 121.223 -0.294 0.000 2.046 390 L HA -0.216 4.120 4.340 -0.007 0.000 0.208 390 L C 2.462 178.953 176.870 -0.632 0.000 1.077 390 L CA 1.265 55.836 54.840 -0.448 0.000 0.747 390 L CB -0.811 41.010 42.059 -0.398 0.000 0.896 390 L HN 0.266 nan 8.230 nan 0.000 0.432 391 F N -0.119 119.444 119.950 -0.646 0.000 2.146 391 F HA -0.240 4.283 4.527 -0.007 0.000 0.298 391 F C 2.579 178.135 175.800 -0.407 0.000 1.096 391 F CA 0.984 58.672 58.000 -0.520 0.000 1.275 391 F CB -0.628 38.006 39.000 -0.609 0.000 1.008 391 F HN 0.021 nan 8.300 nan 0.000 0.480 392 Y N 0.780 120.802 120.300 -0.463 0.000 2.128 392 Y HA -0.258 4.288 4.550 -0.006 0.000 0.284 392 Y C 2.143 177.690 175.900 -0.589 0.000 1.154 392 Y CA 1.998 59.791 58.100 -0.511 0.000 1.149 392 Y CB -0.907 37.285 38.460 -0.445 0.000 0.976 392 Y HN 0.107 nan 8.280 nan 0.000 0.505 393 L N 0.222 120.926 121.223 -0.865 0.000 2.012 393 L HA -0.241 4.095 4.340 -0.007 0.000 0.210 393 L C 2.631 178.906 176.870 -0.991 0.000 1.073 393 L CA 2.005 56.264 54.840 -0.968 0.000 0.748 393 L CB -0.806 40.786 42.059 -0.778 0.000 0.891 393 L HN 0.322 nan 8.230 nan 0.000 0.431 394 E N 0.217 119.729 120.200 -1.147 0.000 2.086 394 E HA -0.314 4.032 4.350 -0.007 0.000 0.200 394 E C 2.136 178.483 176.600 -0.423 0.000 1.012 394 E CA 1.790 57.780 56.400 -0.684 0.000 0.812 394 E CB -0.034 29.490 29.700 -0.293 0.000 0.743 394 E HN 0.563 nan 8.360 nan 0.000 0.453 395 Q N -0.320 119.160 119.800 -0.533 0.000 2.172 395 Q HA -0.115 4.220 4.340 -0.007 0.000 0.200 395 Q C 2.254 178.022 176.000 -0.387 0.000 0.964 395 Q CA 0.712 56.254 55.803 -0.435 0.000 0.855 395 Q CB 0.036 28.462 28.738 -0.520 0.000 0.918 395 Q HN 0.256 nan 8.270 nan 0.000 0.444 396 L N 0.050 120.958 121.223 -0.525 0.000 2.093 396 L HA -0.096 4.240 4.340 -0.007 0.000 0.208 396 L C 1.606 178.245 176.870 -0.386 0.000 1.085 396 L CA 1.604 56.148 54.840 -0.494 0.000 0.755 396 L CB 0.008 41.631 42.059 -0.727 0.000 0.904 396 L HN 0.173 nan 8.230 nan 0.000 0.435 397 L N -1.689 119.289 121.223 -0.409 0.000 2.628 397 L HA 0.343 4.679 4.340 -0.007 0.000 0.229 397 L C 1.217 177.998 176.870 -0.148 0.000 1.137 397 L CA 0.568 55.190 54.840 -0.364 0.000 0.909 397 L CB -0.008 41.654 42.059 -0.663 0.000 1.137 397 L HN 0.411 nan 8.230 nan 0.000 0.470 398 G N -1.055 107.677 108.800 -0.114 0.000 2.227 398 G HA2 0.088 4.044 3.960 -0.007 0.000 0.168 398 G HA3 0.088 4.044 3.960 -0.007 0.000 0.168 398 G C 0.457 175.373 174.900 0.028 0.000 1.006 398 G CA -0.356 44.730 45.100 -0.023 0.000 0.684 398 G HN 0.730 nan 8.290 nan 0.000 0.489 399 G N -0.698 108.121 108.800 0.031 0.000 2.479 399 G HA2 0.393 4.349 3.960 -0.007 0.000 0.686 399 G HA3 0.393 4.349 3.960 -0.007 0.000 0.686 399 G C -1.159 173.871 174.900 0.217 0.000 1.295 399 G CA 0.237 45.393 45.100 0.093 0.000 0.922 399 G HN 0.540 nan 8.290 nan 0.000 0.582 400 P HA -0.059 nan 4.420 nan 0.000 0.217 400 P C 1.304 178.784 177.300 0.300 0.000 1.150 400 P CA 1.893 65.234 63.100 0.401 0.000 0.832 400 P CB 0.090 32.058 31.700 0.446 0.000 0.787 401 E N -0.002 120.322 120.200 0.207 0.000 2.077 401 E HA -0.113 4.233 4.350 -0.007 0.000 0.193 401 E C 2.214 178.927 176.600 0.188 0.000 0.989 401 E CA 0.947 57.437 56.400 0.151 0.000 0.800 401 E CB -1.010 28.758 29.700 0.113 0.000 0.746 401 E HN 0.270 nan 8.360 nan 0.000 0.452 402 I N -0.213 120.499 120.570 0.235 0.000 2.252 402 I HA -0.209 3.957 4.170 -0.007 0.000 0.245 402 I C 1.933 178.299 176.117 0.415 0.000 1.102 402 I CA 0.815 62.297 61.300 0.303 0.000 1.385 402 I CB -0.085 38.098 38.000 0.305 0.000 1.064 402 I HN 0.055 nan 8.210 nan 0.000 0.414 403 F N 0.875 121.004 119.950 0.299 0.000 2.259 403 F HA -0.097 4.426 4.527 -0.007 0.000 0.298 403 F C 2.139 178.144 175.800 0.341 0.000 1.088 403 F CA 1.294 59.513 58.000 0.365 0.000 1.358 403 F CB -0.094 39.060 39.000 0.257 0.000 1.040 403 F HN -0.099 nan 8.300 nan 0.000 0.505 404 L N -0.734 120.670 121.223 0.302 0.000 2.141 404 L HA -0.134 4.202 4.340 -0.007 0.000 0.209 404 L C 2.679 179.546 176.870 -0.004 0.000 1.094 404 L CA 1.185 56.100 54.840 0.126 0.000 0.763 404 L CB -1.299 40.771 42.059 0.017 0.000 0.908 404 L HN 0.277 nan 8.230 nan 0.000 0.437 405 G N -0.181 108.638 108.800 0.031 0.000 2.418 405 G HA2 -0.345 3.611 3.960 -0.007 0.000 0.217 405 G HA3 -0.345 3.611 3.960 -0.007 0.000 0.217 405 G C 1.441 176.183 174.900 -0.265 0.000 1.158 405 G CA 0.655 45.752 45.100 -0.005 0.000 0.771 405 G HN 0.356 nan 8.290 nan 0.000 0.545 406 F N 1.050 120.608 119.950 -0.653 0.000 2.146 406 F HA 0.097 4.619 4.527 -0.007 0.000 0.298 406 F C 2.261 177.712 175.800 -0.582 0.000 1.096 406 F CA 1.127 58.378 58.000 -1.247 0.000 1.275 406 F CB -0.455 37.867 39.000 -1.130 0.000 1.008 406 F HN 0.094 nan 8.300 nan 0.000 0.480 407 L N 0.689 121.491 121.223 -0.701 0.000 2.012 407 L HA -0.264 4.071 4.340 -0.007 0.000 0.210 407 L C 2.696 179.412 176.870 -0.258 0.000 1.073 407 L CA 2.098 56.660 54.840 -0.463 0.000 0.748 407 L CB -0.609 41.411 42.059 -0.064 0.000 0.891 407 L HN 0.216 nan 8.230 nan 0.000 0.431 408 K N -0.636 119.635 120.400 -0.214 0.000 2.097 408 K HA -0.183 4.133 4.320 -0.007 0.000 0.206 408 K C 1.921 178.429 176.600 -0.154 0.000 1.049 408 K CA 1.240 57.438 56.287 -0.149 0.000 0.933 408 K CB -0.111 32.320 32.500 -0.114 0.000 0.717 408 K HN 0.433 nan 8.250 nan 0.000 0.442 409 A N 0.242 122.948 122.820 -0.190 0.000 1.929 409 A HA -0.161 4.155 4.320 -0.007 0.000 0.216 409 A C 1.984 179.466 177.584 -0.170 0.000 1.176 409 A CA 1.153 53.144 52.037 -0.076 0.000 0.628 409 A CB -0.739 18.307 19.000 0.077 0.000 0.816 409 A HN 0.585 nan 8.150 nan 0.000 0.444 410 Y N 0.839 120.906 120.300 -0.389 0.000 2.114 410 Y HA -0.195 4.351 4.550 -0.007 0.000 0.284 410 Y C 2.220 177.893 175.900 -0.379 0.000 1.143 410 Y CA 2.066 59.863 58.100 -0.506 0.000 1.135 410 Y CB -0.592 37.513 38.460 -0.593 0.000 0.980 410 Y HN 0.042 nan 8.280 nan 0.000 0.499 411 V N 1.116 120.807 119.914 -0.372 0.000 2.282 411 V HA -0.347 3.769 4.120 -0.007 0.000 0.249 411 V C 2.236 178.144 176.094 -0.309 0.000 1.057 411 V CA 2.437 64.544 62.300 -0.322 0.000 1.032 411 V CB -0.793 30.996 31.823 -0.058 0.000 0.645 411 V HN 0.464 nan 8.190 nan 0.000 0.447 412 E N -0.056 119.988 120.200 -0.259 0.000 2.085 412 E HA -0.295 4.051 4.350 -0.007 0.000 0.194 412 E C 2.205 178.588 176.600 -0.360 0.000 0.994 412 E CA 1.565 57.824 56.400 -0.235 0.000 0.801 412 E CB -0.209 29.396 29.700 -0.159 0.000 0.743 412 E HN 0.462 nan 8.360 nan 0.000 0.453 413 K N 0.407 120.448 120.400 -0.597 0.000 2.032 413 K HA -0.142 4.174 4.320 -0.007 0.000 0.209 413 K C 0.935 177.002 176.600 -0.889 0.000 1.048 413 K CA 1.423 57.141 56.287 -0.948 0.000 0.927 413 K CB -0.110 31.322 32.500 -1.782 0.000 0.712 413 K HN 0.051 nan 8.250 nan 0.000 0.441 414 F N 0.614 120.260 119.950 -0.507 0.000 2.654 414 F HA 0.382 4.906 4.527 -0.005 0.000 0.303 414 F C 0.127 175.708 175.800 -0.364 0.000 1.099 414 F CA -0.546 57.197 58.000 -0.429 0.000 1.270 414 F CB -0.026 38.644 39.000 -0.549 0.000 1.024 414 F HN -0.259 nan 8.300 nan 0.000 0.548 415 S N 0.270 115.818 115.700 -0.252 0.000 2.563 415 S HA -0.020 4.446 4.470 -0.007 0.000 0.294 415 S C 0.046 174.452 174.600 -0.324 0.000 1.279 415 S CA 0.320 58.261 58.200 -0.431 0.000 1.069 415 S CB -0.444 62.437 63.200 -0.531 0.000 0.828 415 S HN 0.524 nan 8.310 nan 0.000 0.497 416 Y N -0.510 119.741 120.300 -0.082 0.000 4.668 416 Y HA -0.273 4.273 4.550 -0.007 0.000 0.234 416 Y C 0.396 176.267 175.900 -0.048 0.000 1.056 416 Y CA 0.603 58.660 58.100 -0.073 0.000 2.025 416 Y CB -1.972 36.428 38.460 -0.100 0.000 1.613 416 Y HN 0.481 nan 8.280 nan 0.000 0.653 417 K N -0.116 120.300 120.400 0.027 0.000 2.395 417 K HA 0.800 5.115 4.320 -0.007 0.000 0.245 417 K C -0.401 176.175 176.600 -0.041 0.000 1.017 417 K CA -0.900 55.398 56.287 0.019 0.000 0.852 417 K CB 2.027 34.560 32.500 0.054 0.000 1.311 417 K HN -0.084 nan 8.250 nan 0.000 0.452 418 S N 1.404 117.067 115.700 -0.061 0.000 2.473 418 S HA 0.568 5.034 4.470 -0.007 0.000 0.307 418 S C -0.438 174.059 174.600 -0.171 0.000 1.094 418 S CA -0.875 57.257 58.200 -0.113 0.000 1.070 418 S CB 0.449 63.593 63.200 -0.092 0.000 1.019 418 S HN 0.562 nan 8.310 nan 0.000 0.480 419 I N -0.182 120.238 120.570 -0.250 0.000 3.002 419 I HA 0.823 4.989 4.170 -0.007 0.000 0.310 419 I C -0.004 175.917 176.117 -0.326 0.000 1.087 419 I CA -0.868 60.228 61.300 -0.340 0.000 1.017 419 I CB 2.211 39.840 38.000 -0.620 0.000 1.226 419 I HN 0.578 nan 8.210 nan 0.000 0.443 420 T N -0.940 113.407 114.554 -0.345 0.000 2.910 420 T HA 0.341 4.687 4.350 -0.007 0.000 0.279 420 T C 0.881 175.456 174.700 -0.208 0.000 0.989 420 T CA -0.159 61.627 62.100 -0.525 0.000 0.968 420 T CB 1.341 69.896 68.868 -0.522 0.000 1.135 420 T HN 0.686 nan 8.240 nan 0.000 0.562 421 T N 0.803 115.317 114.554 -0.067 0.000 2.788 421 T HA -0.098 4.248 4.350 -0.007 0.000 0.268 421 T C 1.401 176.343 174.700 0.403 0.000 1.044 421 T CA 1.506 63.842 62.100 0.392 0.000 1.139 421 T CB -0.548 68.736 68.868 0.694 0.000 0.867 421 T HN 0.627 nan 8.240 nan 0.000 0.454 422 D N 1.141 121.678 120.400 0.228 0.000 2.178 422 D HA -0.075 4.561 4.640 -0.007 0.000 0.202 422 D C 1.927 178.315 176.300 0.147 0.000 0.974 422 D CA 0.793 54.899 54.000 0.177 0.000 0.841 422 D CB -0.292 40.578 40.800 0.117 0.000 0.953 422 D HN 0.371 nan 8.370 nan 0.000 0.478 423 D N -0.198 120.251 120.400 0.082 0.000 2.117 423 D HA -0.156 4.480 4.640 -0.007 0.000 0.197 423 D C 1.914 178.349 176.300 0.224 0.000 0.987 423 D CA 0.582 54.615 54.000 0.056 0.000 0.829 423 D CB -0.421 40.227 40.800 -0.255 0.000 0.961 423 D HN 0.355 nan 8.370 nan 0.000 0.460 424 W N 2.381 123.729 121.300 0.079 0.000 2.355 424 W HA -0.134 4.522 4.660 -0.007 0.000 0.309 424 W C 2.331 179.069 176.519 0.365 0.000 1.206 424 W CA 1.477 58.995 57.345 0.288 0.000 1.284 424 W CB -0.146 29.428 29.460 0.190 0.000 1.145 424 W HN -0.184 nan 8.180 nan 0.000 0.502 425 K N 0.086 120.625 120.400 0.231 0.000 2.057 425 K HA -0.209 4.107 4.320 -0.007 0.000 0.207 425 K C 1.664 178.220 176.600 -0.074 0.000 1.049 425 K CA 1.987 58.173 56.287 -0.170 0.000 0.931 425 K CB -0.446 32.000 32.500 -0.091 0.000 0.714 425 K HN 0.028 nan 8.250 nan 0.000 0.440 426 D N 0.007 120.443 120.400 0.060 0.000 2.117 426 D HA -0.171 4.465 4.640 -0.007 0.000 0.197 426 D C 1.589 178.020 176.300 0.218 0.000 0.987 426 D CA 0.925 54.989 54.000 0.106 0.000 0.829 426 D CB -0.213 40.671 40.800 0.141 0.000 0.961 426 D HN 0.191 nan 8.370 nan 0.000 0.460 427 F N 0.967 121.029 119.950 0.186 0.000 2.206 427 F HA -0.048 4.474 4.527 -0.007 0.000 0.298 427 F C 2.050 177.977 175.800 0.212 0.000 1.090 427 F CA 0.435 58.586 58.000 0.252 0.000 1.323 427 F CB -0.316 38.962 39.000 0.463 0.000 1.028 427 F HN -0.121 nan 8.300 nan 0.000 0.492 428 L N -0.415 120.769 121.223 -0.064 0.000 2.012 428 L HA -0.260 4.076 4.340 -0.007 0.000 0.210 428 L C 2.090 178.856 176.870 -0.174 0.000 1.073 428 L CA 1.989 56.607 54.840 -0.369 0.000 0.748 428 L CB -1.176 40.440 42.059 -0.739 0.000 0.891 428 L HN 0.178 nan 8.230 nan 0.000 0.431 429 Y N -0.936 119.248 120.300 -0.194 0.000 2.181 429 Y HA -0.236 4.310 4.550 -0.007 0.000 0.288 429 Y C 3.056 178.898 175.900 -0.097 0.000 1.146 429 Y CA 1.843 59.881 58.100 -0.102 0.000 1.164 429 Y CB -0.743 37.653 38.460 -0.105 0.000 0.982 429 Y HN 0.373 nan 8.280 nan 0.000 0.515 430 S N -0.929 114.775 115.700 0.005 0.000 2.356 430 S HA -0.290 4.176 4.470 -0.007 0.000 0.223 430 S C 2.050 176.513 174.600 -0.230 0.000 1.032 430 S CA 1.411 59.565 58.200 -0.076 0.000 1.005 430 S CB -0.805 62.384 63.200 -0.019 0.000 0.867 430 S HN 0.545 nan 8.310 nan 0.000 0.449 431 Y N 0.594 120.546 120.300 -0.579 0.000 2.181 431 Y HA 0.046 4.591 4.550 -0.007 0.000 0.288 431 Y C 0.735 176.251 175.900 -0.640 0.000 1.146 431 Y CA 1.574 59.249 58.100 -0.709 0.000 1.164 431 Y CB -0.160 37.730 38.460 -0.950 0.000 0.982 431 Y HN 0.337 nan 8.280 nan 0.000 0.515 432 F N 1.441 121.269 119.950 -0.203 0.000 2.986 432 F HA 0.218 4.741 4.527 -0.007 0.000 0.297 432 F C 1.552 177.218 175.800 -0.224 0.000 1.210 432 F CA -0.563 57.304 58.000 -0.222 0.000 1.346 432 F CB -0.307 38.549 39.000 -0.240 0.000 1.007 432 F HN 0.040 nan 8.300 nan 0.000 0.512 433 K N -1.158 119.188 120.400 -0.089 0.000 2.147 433 K HA -0.162 4.154 4.320 -0.007 0.000 0.205 433 K C 0.538 177.115 176.600 -0.038 0.000 1.049 433 K CA 1.780 58.036 56.287 -0.050 0.000 0.936 433 K CB -0.114 32.354 32.500 -0.054 0.000 0.722 433 K HN 0.068 nan 8.250 nan 0.000 0.446 434 D N 1.086 121.457 120.400 -0.049 0.000 2.363 434 D HA 0.016 4.652 4.640 -0.007 0.000 0.226 434 D C 0.294 176.581 176.300 -0.021 0.000 1.020 434 D CA 0.753 54.733 54.000 -0.034 0.000 0.892 434 D CB 0.356 41.129 40.800 -0.046 0.000 0.900 434 D HN 0.335 nan 8.370 nan 0.000 0.531 435 K N 0.034 120.422 120.400 -0.019 0.000 2.706 435 K HA 0.089 4.405 4.320 -0.007 0.000 0.203 435 K C 1.435 177.966 176.600 -0.116 0.000 1.102 435 K CA 0.057 56.309 56.287 -0.058 0.000 1.058 435 K CB 1.523 33.986 32.500 -0.060 0.000 0.779 435 K HN -0.085 nan 8.250 nan 0.000 0.483 436 V N -1.700 118.163 119.914 -0.086 0.000 2.490 436 V HA -0.247 3.869 4.120 -0.007 0.000 0.250 436 V C 1.449 177.527 176.094 -0.028 0.000 1.061 436 V CA 1.657 63.904 62.300 -0.087 0.000 1.064 436 V CB -0.322 31.525 31.823 0.040 0.000 0.670 436 V HN 0.161 nan 8.190 nan 0.000 0.461 437 D N 0.982 121.372 120.400 -0.017 0.000 2.117 437 D HA -0.115 4.521 4.640 -0.007 0.000 0.197 437 D C 2.284 178.566 176.300 -0.029 0.000 0.987 437 D CA 1.677 55.676 54.000 -0.001 0.000 0.829 437 D CB -0.437 40.359 40.800 -0.006 0.000 0.961 437 D HN 0.467 nan 8.370 nan 0.000 0.460 438 V N 1.334 121.197 119.914 -0.085 0.000 2.237 438 V HA -0.223 3.893 4.120 -0.007 0.000 0.245 438 V C 2.741 178.742 176.094 -0.155 0.000 1.046 438 V CA 1.164 63.381 62.300 -0.139 0.000 1.007 438 V CB -0.653 31.051 31.823 -0.199 0.000 0.638 438 V HN 0.190 nan 8.190 nan 0.000 0.445 439 L N 0.526 121.633 121.223 -0.194 0.000 2.051 439 L HA -0.256 4.080 4.340 -0.007 0.000 0.214 439 L C 2.269 179.251 176.870 0.188 0.000 1.076 439 L CA 1.693 56.454 54.840 -0.131 0.000 0.758 439 L CB -0.812 40.913 42.059 -0.557 0.000 0.890 439 L HN 0.427 nan 8.230 nan 0.000 0.433 440 N N -0.235 118.576 118.700 0.185 0.000 2.550 440 N HA -0.128 4.608 4.740 -0.007 0.000 0.186 440 N C 1.706 177.312 175.510 0.160 0.000 1.110 440 N CA 0.676 53.896 53.050 0.282 0.000 0.912 440 N CB -0.006 38.617 38.487 0.228 0.000 0.968 440 N HN 0.510 nan 8.380 nan 0.000 0.448 441 Q N -0.034 119.799 119.800 0.055 0.000 2.311 441 Q HA 0.035 4.371 4.340 -0.007 0.000 0.203 441 Q C 0.664 176.660 176.000 -0.008 0.000 0.954 441 Q CA 0.139 55.953 55.803 0.018 0.000 0.885 441 Q CB 0.402 29.129 28.738 -0.018 0.000 0.963 441 Q HN 0.170 nan 8.270 nan 0.000 0.471 442 V N 1.070 120.908 119.914 -0.126 0.000 2.614 442 V HA 0.046 4.162 4.120 -0.007 0.000 0.291 442 V C -0.241 175.686 176.094 -0.278 0.000 1.049 442 V CA -0.434 61.686 62.300 -0.300 0.000 1.038 442 V CB 1.316 32.651 31.823 -0.814 0.000 0.980 442 V HN 0.065 nan 8.190 nan 0.000 0.481 443 D N 5.670 126.048 120.400 -0.037 0.000 2.508 443 D HA 0.132 4.768 4.640 -0.007 0.000 0.224 443 D C 0.667 177.060 176.300 0.155 0.000 1.171 443 D CA -0.025 54.014 54.000 0.065 0.000 1.006 443 D CB -0.198 40.633 40.800 0.050 0.000 1.073 443 D HN 0.762 nan 8.370 nan 0.000 0.513 444 W N 2.086 123.558 121.300 0.287 0.000 2.338 444 W HA -0.174 4.481 4.660 -0.009 0.000 0.304 444 W C 2.376 179.023 176.519 0.214 0.000 1.212 444 W CA 0.530 58.033 57.345 0.263 0.000 1.264 444 W CB -0.326 29.277 29.460 0.238 0.000 1.142 444 W HN 0.369 nan 8.180 nan 0.000 0.512 445 N N 0.809 119.767 118.700 0.429 0.000 2.166 445 N HA -0.171 4.565 4.740 -0.007 0.000 0.186 445 N C 1.672 177.329 175.510 0.245 0.000 1.019 445 N CA 1.839 55.122 53.050 0.388 0.000 0.856 445 N CB -0.240 38.435 38.487 0.313 0.000 0.993 445 N HN 0.171 nan 8.380 nan 0.000 0.426 446 A N 0.261 123.163 122.820 0.138 0.000 1.854 446 A HA -0.069 4.247 4.320 -0.007 0.000 0.214 446 A C 2.038 179.580 177.584 -0.069 0.000 1.192 446 A CA 0.863 52.896 52.037 -0.007 0.000 0.611 446 A CB -1.329 17.602 19.000 -0.114 0.000 0.832 446 A HN 0.481 nan 8.150 nan 0.000 0.442 447 W N 0.202 121.450 121.300 -0.088 0.000 2.321 447 W HA -0.155 4.501 4.660 -0.006 0.000 0.306 447 W C 2.077 178.458 176.519 -0.231 0.000 1.217 447 W CA 1.551 58.804 57.345 -0.153 0.000 1.257 447 W CB -0.278 29.088 29.460 -0.157 0.000 1.145 447 W HN 0.239 nan 8.180 nan 0.000 0.509 448 L N -2.646 118.560 121.223 -0.028 0.000 2.202 448 L HA -0.077 4.259 4.340 -0.007 0.000 0.205 448 L C 1.228 177.769 176.870 -0.548 0.000 1.083 448 L CA 0.904 55.459 54.840 -0.476 0.000 0.790 448 L CB -0.456 41.071 42.059 -0.887 0.000 0.942 448 L HN 0.011 nan 8.230 nan 0.000 0.452 449 Y N -1.896 118.458 120.300 0.089 0.000 2.448 449 Y HA 0.272 4.819 4.550 -0.006 0.000 0.257 449 Y C 1.017 176.935 175.900 0.030 0.000 1.089 449 Y CA -0.782 57.358 58.100 0.065 0.000 1.245 449 Y CB 0.265 38.779 38.460 0.090 0.000 1.282 449 Y HN -0.155 nan 8.280 nan 0.000 0.529 450 S N 3.931 119.695 115.700 0.107 0.000 2.562 450 S HA 0.327 4.793 4.470 -0.007 0.000 0.275 450 S C -2.379 172.216 174.600 -0.009 0.000 1.281 450 S CA -1.197 57.026 58.200 0.039 0.000 1.045 450 S CB 0.969 64.164 63.200 -0.008 0.000 0.962 450 S HN -0.022 nan 8.310 nan 0.000 0.503 451 P HA 0.438 nan 4.420 nan 0.000 0.274 451 P C 0.476 177.744 177.300 -0.053 0.000 1.256 451 P CA 0.180 63.269 63.100 -0.018 0.000 0.795 451 P CB 0.182 31.878 31.700 -0.006 0.000 1.038 452 G N -0.537 108.233 108.800 -0.049 0.000 2.698 452 G HA2 -0.166 3.790 3.960 -0.007 0.000 0.225 452 G HA3 -0.166 3.790 3.960 -0.007 0.000 0.225 452 G C -0.789 174.023 174.900 -0.148 0.000 1.345 452 G CA -0.656 44.397 45.100 -0.078 0.000 0.871 452 G HN 0.573 nan 8.290 nan 0.000 0.540 453 L N 1.701 122.818 121.223 -0.177 0.000 2.461 453 L HA 0.281 4.617 4.340 -0.007 0.000 0.272 453 L C -1.296 175.397 176.870 -0.295 0.000 1.197 453 L CA -1.254 53.428 54.840 -0.262 0.000 0.836 453 L CB 0.280 42.221 42.059 -0.196 0.000 1.105 453 L HN 0.423 nan 8.230 nan 0.000 0.477 454 P HA 0.039 nan 4.420 nan 0.000 0.269 454 P C -2.003 174.949 177.300 -0.580 0.000 1.217 454 P CA -0.944 61.688 63.100 -0.781 0.000 0.783 454 P CB -0.084 30.977 31.700 -1.064 0.000 0.898 455 P HA 0.035 nan 4.420 nan 0.000 0.233 455 P C 0.270 177.385 177.300 -0.309 0.000 1.167 455 P CA 1.430 64.269 63.100 -0.435 0.000 0.770 455 P CB 0.543 31.979 31.700 -0.439 0.000 0.837 456 I N -0.552 119.796 120.570 -0.370 0.000 2.644 456 I HA 0.304 4.470 4.170 -0.007 0.000 0.291 456 I C -1.191 174.842 176.117 -0.140 0.000 1.180 456 I CA -1.186 59.974 61.300 -0.233 0.000 1.040 456 I CB 3.017 40.826 38.000 -0.320 0.000 1.255 456 I HN -0.264 nan 8.210 nan 0.000 0.422 457 K N 8.511 128.805 120.400 -0.177 0.000 2.211 457 K HA 0.597 4.913 4.320 -0.007 0.000 0.275 457 K C -2.468 173.965 176.600 -0.277 0.000 1.024 457 K CA -1.342 54.687 56.287 -0.430 0.000 0.887 457 K CB 1.299 33.386 32.500 -0.689 0.000 1.084 457 K HN 0.301 nan 8.250 nan 0.000 0.463 458 P HA 0.011 nan 4.420 nan 0.000 0.271 458 P C -1.113 175.891 177.300 -0.494 0.000 1.244 458 P CA -0.362 62.523 63.100 -0.359 0.000 0.793 458 P CB 0.437 31.872 31.700 -0.441 0.000 0.984 459 N N 0.735 119.133 118.700 -0.504 0.000 2.488 459 N HA 0.185 4.921 4.740 -0.007 0.000 0.274 459 N C -0.874 174.436 175.510 -0.333 0.000 1.111 459 N CA 0.239 53.105 53.050 -0.307 0.000 0.974 459 N CB 0.100 38.477 38.487 -0.183 0.000 1.089 459 N HN 0.380 nan 8.380 nan 0.000 0.465 460 Y N -0.390 120.004 120.300 0.156 0.000 2.361 460 Y HA 0.142 4.688 4.550 -0.007 0.000 0.337 460 Y C 0.505 176.589 175.900 0.307 0.000 0.965 460 Y CA -1.008 57.300 58.100 0.346 0.000 1.091 460 Y CB 1.419 40.002 38.460 0.204 0.000 1.182 460 Y HN 0.419 nan 8.280 nan 0.000 0.450 461 D N 3.665 124.403 120.400 0.564 0.000 2.455 461 D HA -0.007 4.629 4.640 -0.007 0.000 0.241 461 D C 0.348 176.812 176.300 0.274 0.000 1.138 461 D CA 0.324 54.459 54.000 0.226 0.000 0.877 461 D CB 0.993 41.760 40.800 -0.054 0.000 1.187 461 D HN 0.578 nan 8.370 nan 0.000 0.451 462 M N 2.765 122.478 119.600 0.189 0.000 2.371 462 M HA -0.014 4.462 4.480 -0.007 0.000 0.246 462 M C 1.807 178.210 176.300 0.173 0.000 1.103 462 M CA 0.070 55.478 55.300 0.180 0.000 1.010 462 M CB -0.490 32.191 32.600 0.135 0.000 1.457 462 M HN 0.355 nan 8.290 nan 0.000 0.486 463 T N 2.168 116.811 114.554 0.148 0.000 2.592 463 T HA -0.184 4.162 4.350 -0.007 0.000 0.267 463 T C 1.897 176.680 174.700 0.138 0.000 1.060 463 T CA 1.604 63.776 62.100 0.120 0.000 1.167 463 T CB -0.357 68.567 68.868 0.093 0.000 0.863 463 T HN 0.374 nan 8.240 nan 0.000 0.431 464 L N 0.334 121.668 121.223 0.185 0.000 2.313 464 L HA 0.013 4.349 4.340 -0.007 0.000 0.214 464 L C 2.755 179.813 176.870 0.313 0.000 1.119 464 L CA 0.810 55.742 54.840 0.154 0.000 0.809 464 L CB -0.655 41.409 42.059 0.008 0.000 0.933 464 L HN 0.279 nan 8.230 nan 0.000 0.449 465 T N -0.747 114.052 114.554 0.408 0.000 2.942 465 T HA -0.084 4.262 4.350 -0.007 0.000 0.265 465 T C 1.583 176.422 174.700 0.231 0.000 1.062 465 T CA 1.126 63.445 62.100 0.364 0.000 1.139 465 T CB -0.273 68.730 68.868 0.225 0.000 0.883 465 T HN 0.398 nan 8.240 nan 0.000 0.468 466 N N 1.496 120.304 118.700 0.179 0.000 2.061 466 N HA -0.149 4.586 4.740 -0.007 0.000 0.193 466 N C 2.192 177.785 175.510 0.139 0.000 1.030 466 N CA 1.149 54.282 53.050 0.138 0.000 0.856 466 N CB -0.222 38.331 38.487 0.109 0.000 1.023 466 N HN 0.356 nan 8.380 nan 0.000 0.424 467 A N 0.691 123.590 122.820 0.133 0.000 1.908 467 A HA -0.183 4.133 4.320 -0.007 0.000 0.218 467 A C 2.456 180.135 177.584 0.158 0.000 1.181 467 A CA 1.284 53.392 52.037 0.118 0.000 0.627 467 A CB -0.985 18.062 19.000 0.078 0.000 0.818 467 A HN 0.520 nan 8.150 nan 0.000 0.445 468 C N -0.711 118.716 119.300 0.211 0.000 2.429 468 C HA -0.055 4.401 4.460 -0.007 0.000 0.277 468 C C 2.517 177.685 174.990 0.298 0.000 1.262 468 C CA 0.845 60.036 59.018 0.288 0.000 1.733 468 C CB -1.375 26.553 27.740 0.313 0.000 2.010 468 C HN 0.619 nan 8.230 nan 0.000 0.483 469 I N 1.407 122.109 120.570 0.219 0.000 2.315 469 I HA -0.165 4.001 4.170 -0.007 0.000 0.248 469 I C 2.786 179.027 176.117 0.207 0.000 1.117 469 I CA 1.418 62.830 61.300 0.188 0.000 1.404 469 I CB -0.506 37.575 38.000 0.135 0.000 1.071 469 I HN 0.281 nan 8.210 nan 0.000 0.419 470 A N 0.671 123.605 122.820 0.190 0.000 1.877 470 A HA -0.218 4.098 4.320 -0.007 0.000 0.216 470 A C 2.225 179.959 177.584 0.248 0.000 1.186 470 A CA 1.464 53.609 52.037 0.180 0.000 0.620 470 A CB -0.796 18.283 19.000 0.133 0.000 0.822 470 A HN 0.350 nan 8.150 nan 0.000 0.443 471 L N -0.183 121.211 121.223 0.286 0.000 2.046 471 L HA -0.094 4.242 4.340 -0.007 0.000 0.208 471 L C 2.668 179.957 176.870 0.698 0.000 1.077 471 L CA 2.494 57.563 54.840 0.382 0.000 0.747 471 L CB -0.761 41.374 42.059 0.127 0.000 0.896 471 L HN 0.375 nan 8.230 nan 0.000 0.432 472 S N -1.452 114.684 115.700 0.726 0.000 2.370 472 S HA -0.223 4.243 4.470 -0.007 0.000 0.226 472 S C 1.992 176.838 174.600 0.410 0.000 1.033 472 S CA 1.246 59.788 58.200 0.569 0.000 1.011 472 S CB -0.228 63.127 63.200 0.259 0.000 0.852 472 S HN 0.556 nan 8.310 nan 0.000 0.457 473 Q N 0.905 120.894 119.800 0.315 0.000 2.084 473 Q HA -0.003 4.333 4.340 -0.007 0.000 0.202 473 Q C 2.421 178.583 176.000 0.269 0.000 0.978 473 Q CA 1.188 57.134 55.803 0.238 0.000 0.844 473 Q CB -0.485 28.356 28.738 0.172 0.000 0.898 473 Q HN 0.585 nan 8.270 nan 0.000 0.426 474 R N -0.832 119.853 120.500 0.308 0.000 2.096 474 R HA -0.195 4.141 4.340 -0.007 0.000 0.240 474 R C 2.133 178.683 176.300 0.417 0.000 1.139 474 R CA 1.730 58.011 56.100 0.302 0.000 0.952 474 R CB -0.355 30.134 30.300 0.316 0.000 0.854 474 R HN 0.327 nan 8.270 nan 0.000 0.436 475 W N 0.634 122.174 121.300 0.400 0.000 2.381 475 W HA -0.031 4.625 4.660 -0.007 0.000 0.301 475 W C 2.069 178.765 176.519 0.295 0.000 1.205 475 W CA 0.636 58.140 57.345 0.266 0.000 1.285 475 W CB -0.242 29.288 29.460 0.117 0.000 1.133 475 W HN 0.006 nan 8.180 nan 0.000 0.521 476 I N -0.003 120.823 120.570 0.428 0.000 2.226 476 I HA -0.285 3.881 4.170 -0.007 0.000 0.245 476 I C 2.454 178.701 176.117 0.216 0.000 1.100 476 I CA 1.915 63.369 61.300 0.257 0.000 1.374 476 I CB -0.847 37.254 38.000 0.169 0.000 1.057 476 I HN 0.026 nan 8.210 nan 0.000 0.413 477 T N -1.216 113.468 114.554 0.217 0.000 3.100 477 T HA 0.312 4.658 4.350 -0.007 0.000 0.253 477 T C 0.884 175.694 174.700 0.182 0.000 1.118 477 T CA 0.034 62.231 62.100 0.163 0.000 1.058 477 T CB -0.287 68.650 68.868 0.116 0.000 0.953 477 T HN 0.207 nan 8.240 nan 0.000 0.515 478 A N 2.421 125.404 122.820 0.272 0.000 2.540 478 A HA 0.458 4.774 4.320 -0.007 0.000 0.239 478 A C 0.469 178.230 177.584 0.295 0.000 1.061 478 A CA -0.329 51.844 52.037 0.226 0.000 0.758 478 A CB 0.279 19.414 19.000 0.225 0.000 0.991 478 A HN 0.354 nan 8.150 nan 0.000 0.502 479 K N 1.336 121.818 120.400 0.137 0.000 2.177 479 K HA 0.194 4.510 4.320 -0.007 0.000 0.238 479 K C 1.128 177.772 176.600 0.073 0.000 1.015 479 K CA -0.446 55.925 56.287 0.141 0.000 0.922 479 K CB 0.414 32.956 32.500 0.070 0.000 1.127 479 K HN 0.872 nan 8.250 nan 0.000 0.469 480 E N 1.260 121.513 120.200 0.087 0.000 2.114 480 E HA -0.269 4.077 4.350 -0.007 0.000 0.199 480 E C 0.701 177.281 176.600 -0.032 0.000 1.008 480 E CA 2.141 58.558 56.400 0.028 0.000 0.810 480 E CB 0.013 29.736 29.700 0.038 0.000 0.739 480 E HN 0.601 nan 8.360 nan 0.000 0.456 481 D N -0.249 120.132 120.400 -0.031 0.000 2.378 481 D HA -0.143 4.493 4.640 -0.007 0.000 0.227 481 D C 0.690 176.928 176.300 -0.104 0.000 1.012 481 D CA 0.618 54.584 54.000 -0.058 0.000 0.905 481 D CB -0.105 40.669 40.800 -0.045 0.000 0.895 481 D HN 0.218 nan 8.370 nan 0.000 0.532 482 D N -0.155 120.168 120.400 -0.129 0.000 2.379 482 D HA 0.109 4.745 4.640 -0.007 0.000 0.208 482 D C 2.102 178.205 176.300 -0.328 0.000 1.065 482 D CA -0.080 53.779 54.000 -0.235 0.000 0.848 482 D CB 0.508 41.175 40.800 -0.221 0.000 0.949 482 D HN 0.272 nan 8.370 nan 0.000 0.509 483 L N 0.737 121.846 121.223 -0.190 0.000 2.201 483 L HA -0.132 4.204 4.340 -0.007 0.000 0.212 483 L C 2.104 178.914 176.870 -0.100 0.000 1.105 483 L CA 0.784 55.563 54.840 -0.100 0.000 0.775 483 L CB -0.353 41.654 42.059 -0.088 0.000 0.913 483 L HN -0.022 nan 8.230 nan 0.000 0.440 484 N N -0.045 118.567 118.700 -0.147 0.000 2.309 484 N HA -0.179 4.557 4.740 -0.007 0.000 0.182 484 N C 1.981 177.379 175.510 -0.188 0.000 1.018 484 N CA 1.175 54.149 53.050 -0.126 0.000 0.876 484 N CB 0.093 38.516 38.487 -0.107 0.000 0.972 484 N HN 0.303 nan 8.380 nan 0.000 0.434 485 S N -1.076 114.419 115.700 -0.342 0.000 2.453 485 S HA -0.010 4.456 4.470 -0.007 0.000 0.231 485 S C 0.417 174.756 174.600 -0.434 0.000 1.005 485 S CA 0.046 58.000 58.200 -0.409 0.000 0.949 485 S CB -0.641 62.242 63.200 -0.528 0.000 0.774 485 S HN 0.146 nan 8.310 nan 0.000 0.510 486 F N 2.592 122.374 119.950 -0.280 0.000 2.459 486 F HA 0.562 5.086 4.527 -0.007 0.000 0.346 486 F C 0.746 176.468 175.800 -0.130 0.000 1.128 486 F CA -0.556 57.296 58.000 -0.247 0.000 1.268 486 F CB 0.153 38.877 39.000 -0.460 0.000 1.161 486 F HN 0.256 nan 8.300 nan 0.000 0.583 487 N N -0.465 118.349 118.700 0.190 0.000 2.859 487 N HA 0.486 5.222 4.740 -0.007 0.000 0.250 487 N C 0.019 175.677 175.510 0.247 0.000 1.341 487 N CA -0.139 52.985 53.050 0.123 0.000 0.881 487 N CB 1.420 39.941 38.487 0.057 0.000 1.516 487 N HN 0.511 nan 8.380 nan 0.000 0.503 488 A N 0.101 123.024 122.820 0.171 0.000 2.131 488 A HA -0.134 4.182 4.320 -0.007 0.000 0.220 488 A C 1.758 179.411 177.584 0.114 0.000 1.158 488 A CA 2.226 54.379 52.037 0.193 0.000 0.665 488 A CB -1.188 17.865 19.000 0.087 0.000 0.795 488 A HN 0.818 nan 8.150 nan 0.000 0.460 489 T N -2.769 111.840 114.554 0.092 0.000 3.072 489 T HA -0.082 4.264 4.350 -0.007 0.000 0.266 489 T C 1.026 175.751 174.700 0.042 0.000 1.127 489 T CA 1.096 63.223 62.100 0.044 0.000 1.107 489 T CB -0.369 68.515 68.868 0.027 0.000 0.910 489 T HN 0.404 nan 8.240 nan 0.000 0.513 490 D N 1.751 122.215 120.400 0.106 0.000 2.221 490 D HA -0.021 4.615 4.640 -0.007 0.000 0.204 490 D C 1.767 178.021 176.300 -0.077 0.000 0.982 490 D CA 0.861 54.903 54.000 0.071 0.000 0.857 490 D CB -0.104 40.839 40.800 0.238 0.000 0.934 490 D HN 0.460 nan 8.370 nan 0.000 0.475 491 L N 0.476 121.613 121.223 -0.144 0.000 2.585 491 L HA 0.089 4.425 4.340 -0.007 0.000 0.226 491 L C 2.239 179.042 176.870 -0.111 0.000 1.113 491 L CA 0.032 54.743 54.840 -0.215 0.000 0.876 491 L CB -0.111 41.764 42.059 -0.307 0.000 1.072 491 L HN 0.033 nan 8.230 nan 0.000 0.468 492 K N -0.257 120.105 120.400 -0.064 0.000 2.209 492 K HA -0.142 4.174 4.320 -0.007 0.000 0.204 492 K C 0.526 177.101 176.600 -0.042 0.000 1.048 492 K CA 1.408 57.669 56.287 -0.043 0.000 0.940 492 K CB -0.074 32.412 32.500 -0.024 0.000 0.729 492 K HN 0.233 nan 8.250 nan 0.000 0.451 493 D N 0.975 121.350 120.400 -0.042 0.000 2.342 493 D HA 0.144 4.780 4.640 -0.007 0.000 0.221 493 D C -0.014 176.259 176.300 -0.045 0.000 1.101 493 D CA 0.127 54.105 54.000 -0.037 0.000 0.837 493 D CB 0.304 41.089 40.800 -0.024 0.000 0.938 493 D HN 0.206 nan 8.370 nan 0.000 0.508 494 L N 1.393 122.582 121.223 -0.057 0.000 2.295 494 L HA 0.199 4.535 4.340 -0.007 0.000 0.285 494 L C 1.038 177.873 176.870 -0.058 0.000 1.035 494 L CA -0.592 54.216 54.840 -0.054 0.000 0.806 494 L CB 1.661 43.683 42.059 -0.062 0.000 1.214 494 L HN -0.101 nan 8.230 nan 0.000 0.426 495 S N 0.477 116.140 115.700 -0.061 0.000 2.608 495 S HA 0.082 4.548 4.470 -0.007 0.000 0.261 495 S C 1.288 175.848 174.600 -0.066 0.000 1.314 495 S CA -0.151 58.007 58.200 -0.070 0.000 0.992 495 S CB 1.327 64.488 63.200 -0.064 0.000 0.935 495 S HN 0.742 nan 8.310 nan 0.000 0.564 496 S N 0.405 116.024 115.700 -0.136 0.000 2.383 496 S HA -0.247 4.219 4.470 -0.007 0.000 0.229 496 S C 1.496 176.032 174.600 -0.107 0.000 1.030 496 S CA 1.640 59.743 58.200 -0.162 0.000 1.002 496 S CB -1.327 61.724 63.200 -0.249 0.000 0.829 496 S HN 0.879 nan 8.310 nan 0.000 0.467 497 H N 1.494 120.591 119.070 0.044 0.000 2.353 497 H HA 0.021 4.573 4.556 -0.007 0.000 0.300 497 H C 2.555 178.036 175.328 0.255 0.000 1.090 497 H CA 1.822 57.976 56.048 0.176 0.000 1.327 497 H CB -0.310 29.590 29.762 0.229 0.000 1.383 497 H HN 0.487 nan 8.280 nan 0.000 0.508 498 Q N -0.205 119.719 119.800 0.207 0.000 2.119 498 Q HA -0.111 4.225 4.340 -0.007 0.000 0.201 498 Q C 2.041 178.172 176.000 0.219 0.000 0.972 498 Q CA 0.833 56.772 55.803 0.226 0.000 0.847 498 Q CB -0.027 28.746 28.738 0.058 0.000 0.903 498 Q HN 0.289 nan 8.270 nan 0.000 0.433 499 L N 1.177 122.469 121.223 0.115 0.000 2.093 499 L HA -0.164 4.172 4.340 -0.007 0.000 0.208 499 L C 1.800 178.731 176.870 0.100 0.000 1.085 499 L CA 1.847 56.741 54.840 0.091 0.000 0.755 499 L CB -0.733 41.317 42.059 -0.015 0.000 0.904 499 L HN 0.163 nan 8.230 nan 0.000 0.435 500 N N -0.435 118.316 118.700 0.086 0.000 2.120 500 N HA -0.251 4.485 4.740 -0.007 0.000 0.188 500 N C 1.870 177.437 175.510 0.094 0.000 1.024 500 N CA 1.418 54.508 53.050 0.066 0.000 0.852 500 N CB -0.090 38.460 38.487 0.105 0.000 1.003 500 N HN 0.389 nan 8.380 nan 0.000 0.424 501 E N -0.607 119.715 120.200 0.204 0.000 2.150 501 E HA -0.115 4.230 4.350 -0.007 0.000 0.193 501 E C 1.620 178.303 176.600 0.137 0.000 0.985 501 E CA 0.685 57.179 56.400 0.156 0.000 0.814 501 E CB -0.567 29.292 29.700 0.265 0.000 0.752 501 E HN 0.500 nan 8.360 nan 0.000 0.466 502 F N 0.487 120.473 119.950 0.059 0.000 2.146 502 F HA -0.068 4.455 4.527 -0.006 0.000 0.298 502 F C 1.670 177.466 175.800 -0.005 0.000 1.096 502 F CA 1.332 59.358 58.000 0.043 0.000 1.275 502 F CB -0.359 38.665 39.000 0.040 0.000 1.008 502 F HN 0.042 nan 8.300 nan 0.000 0.480 503 L N 0.240 121.253 121.223 -0.350 0.000 2.046 503 L HA -0.162 4.174 4.340 -0.007 0.000 0.208 503 L C 2.876 179.572 176.870 -0.290 0.000 1.077 503 L CA 1.172 55.753 54.840 -0.433 0.000 0.747 503 L CB -1.235 40.654 42.059 -0.284 0.000 0.896 503 L HN 0.288 nan 8.230 nan 0.000 0.432 504 A N -0.754 121.967 122.820 -0.165 0.000 1.908 504 A HA -0.232 4.084 4.320 -0.007 0.000 0.218 504 A C 2.270 179.774 177.584 -0.134 0.000 1.181 504 A CA 1.378 53.340 52.037 -0.125 0.000 0.627 504 A CB -0.416 18.540 19.000 -0.073 0.000 0.818 504 A HN 0.384 nan 8.150 nan 0.000 0.445 505 Q N -0.555 119.170 119.800 -0.125 0.000 2.061 505 Q HA -0.137 4.199 4.340 -0.007 0.000 0.204 505 Q C 2.233 178.154 176.000 -0.131 0.000 0.984 505 Q CA 2.192 57.941 55.803 -0.089 0.000 0.846 505 Q CB -0.952 27.773 28.738 -0.022 0.000 0.902 505 Q HN 0.691 nan 8.270 nan 0.000 0.421 506 T N 1.663 116.064 114.554 -0.254 0.000 2.812 506 T HA -0.085 4.261 4.350 -0.007 0.000 0.264 506 T C 1.859 176.445 174.700 -0.190 0.000 1.042 506 T CA 0.599 62.550 62.100 -0.248 0.000 1.140 506 T CB -0.249 68.340 68.868 -0.465 0.000 0.870 506 T HN 0.072 nan 8.240 nan 0.000 0.445 507 L N 1.484 122.581 121.223 -0.210 0.000 2.127 507 L HA -0.062 4.274 4.340 -0.007 0.000 0.211 507 L C 2.333 179.119 176.870 -0.141 0.000 1.089 507 L CA 1.656 56.387 54.840 -0.182 0.000 0.757 507 L CB -0.707 41.229 42.059 -0.205 0.000 0.899 507 L HN 0.258 nan 8.230 nan 0.000 0.434 508 Q N -0.940 118.790 119.800 -0.117 0.000 2.291 508 Q HA -0.162 4.174 4.340 -0.007 0.000 0.206 508 Q C 1.307 177.262 176.000 -0.075 0.000 0.976 508 Q CA 1.133 56.882 55.803 -0.089 0.000 0.875 508 Q CB 0.063 28.761 28.738 -0.067 0.000 0.927 508 Q HN 0.388 nan 8.270 nan 0.000 0.450 509 R N -0.506 119.949 120.500 -0.075 0.000 2.468 509 R HA 0.270 4.606 4.340 -0.007 0.000 0.280 509 R C -0.281 175.973 176.300 -0.076 0.000 0.963 509 R CA -0.029 56.036 56.100 -0.059 0.000 1.083 509 R CB 0.673 30.955 30.300 -0.031 0.000 1.200 509 R HN 0.042 nan 8.270 nan 0.000 0.541 510 A N 2.300 125.059 122.820 -0.101 0.000 2.445 510 A HA 0.367 4.683 4.320 -0.007 0.000 0.242 510 A C -1.835 175.683 177.584 -0.109 0.000 1.075 510 A CA -0.942 51.024 52.037 -0.119 0.000 0.777 510 A CB -0.223 18.688 19.000 -0.148 0.000 1.013 510 A HN 0.044 nan 8.150 nan 0.000 0.493 511 P HA 0.504 nan 4.420 nan 0.000 0.276 511 P C -0.952 176.270 177.300 -0.129 0.000 1.244 511 P CA -0.406 62.611 63.100 -0.138 0.000 0.801 511 P CB 0.684 32.296 31.700 -0.147 0.000 1.006 512 L N 2.463 123.601 121.223 -0.142 0.000 2.365 512 L HA 0.530 4.866 4.340 -0.007 0.000 0.267 512 L C -2.125 174.631 176.870 -0.189 0.000 1.033 512 L CA -2.147 52.596 54.840 -0.162 0.000 0.802 512 L CB 0.112 42.106 42.059 -0.108 0.000 1.267 512 L HN 0.292 nan 8.230 nan 0.000 0.457 513 P HA 0.013 nan 4.420 nan 0.000 0.269 513 P C 0.467 177.700 177.300 -0.112 0.000 1.209 513 P CA -0.305 62.679 63.100 -0.193 0.000 0.776 513 P CB 0.501 32.048 31.700 -0.255 0.000 0.876 514 L N 3.771 124.926 121.223 -0.113 0.000 2.079 514 L HA -0.075 4.261 4.340 -0.007 0.000 0.210 514 L C 2.112 178.864 176.870 -0.195 0.000 1.081 514 L CA 2.450 57.180 54.840 -0.182 0.000 0.752 514 L CB -1.569 40.394 42.059 -0.160 0.000 0.896 514 L HN 0.529 nan 8.230 nan 0.000 0.433 515 G N -2.146 106.624 108.800 -0.050 0.000 2.422 515 G HA2 -0.290 3.666 3.960 -0.007 0.000 0.218 515 G HA3 -0.290 3.666 3.960 -0.007 0.000 0.218 515 G C 1.289 176.238 174.900 0.082 0.000 1.146 515 G CA 0.940 46.037 45.100 -0.004 0.000 0.769 515 G HN 0.530 nan 8.290 nan 0.000 0.547 516 H N 0.560 119.631 119.070 0.001 0.000 2.319 516 H HA -0.022 4.530 4.556 -0.006 0.000 0.299 516 H C 2.634 177.947 175.328 -0.026 0.000 1.092 516 H CA 1.055 57.184 56.048 0.135 0.000 1.302 516 H CB -0.179 29.701 29.762 0.198 0.000 1.373 516 H HN 0.216 nan 8.280 nan 0.000 0.497 517 I N 0.837 121.382 120.570 -0.041 0.000 2.315 517 I HA -0.190 3.976 4.170 -0.007 0.000 0.248 517 I C 1.943 177.886 176.117 -0.289 0.000 1.117 517 I CA 1.201 62.407 61.300 -0.157 0.000 1.404 517 I CB -0.832 37.010 38.000 -0.263 0.000 1.071 517 I HN 0.230 nan 8.210 nan 0.000 0.419 518 K N 0.328 120.417 120.400 -0.519 0.000 2.097 518 K HA -0.198 4.118 4.320 -0.007 0.000 0.206 518 K C 2.229 178.730 176.600 -0.166 0.000 1.049 518 K CA 1.112 57.061 56.287 -0.563 0.000 0.933 518 K CB -0.137 32.075 32.500 -0.480 0.000 0.717 518 K HN 0.016 nan 8.250 nan 0.000 0.442 519 R N 1.354 121.809 120.500 -0.074 0.000 2.081 519 R HA -0.027 4.309 4.340 -0.007 0.000 0.235 519 R C 2.053 178.324 176.300 -0.047 0.000 1.131 519 R CA 1.466 57.577 56.100 0.019 0.000 0.960 519 R CB -0.365 30.022 30.300 0.145 0.000 0.856 519 R HN 0.166 nan 8.270 nan 0.000 0.436 520 M N -0.079 119.409 119.600 -0.187 0.000 2.159 520 M HA -0.210 4.266 4.480 -0.007 0.000 0.263 520 M C 2.014 178.070 176.300 -0.407 0.000 1.063 520 M CA 2.046 57.022 55.300 -0.541 0.000 1.110 520 M CB -0.078 32.195 32.600 -0.546 0.000 1.374 520 M HN 0.209 nan 8.290 nan 0.000 0.411 521 Q N 0.637 120.414 119.800 -0.039 0.000 2.119 521 Q HA -0.213 4.123 4.340 -0.007 0.000 0.201 521 Q C 1.694 177.678 176.000 -0.027 0.000 0.972 521 Q CA 2.209 58.056 55.803 0.074 0.000 0.847 521 Q CB -0.365 28.731 28.738 0.597 0.000 0.903 521 Q HN 0.664 nan 8.270 nan 0.000 0.433 522 E N -0.729 119.457 120.200 -0.023 0.000 2.077 522 E HA -0.157 4.189 4.350 -0.007 0.000 0.193 522 E C 1.664 178.210 176.600 -0.091 0.000 0.989 522 E CA 1.856 58.241 56.400 -0.025 0.000 0.800 522 E CB 0.104 29.800 29.700 -0.006 0.000 0.746 522 E HN 0.391 nan 8.360 nan 0.000 0.452 523 V N -2.126 117.666 119.914 -0.203 0.000 2.949 523 V HA 0.018 4.134 4.120 -0.007 0.000 0.245 523 V C 1.568 177.553 176.094 -0.182 0.000 1.086 523 V CA 0.527 62.695 62.300 -0.221 0.000 1.097 523 V CB -0.484 31.167 31.823 -0.288 0.000 0.762 523 V HN 0.159 nan 8.190 nan 0.000 0.470 524 Y N 0.747 120.811 120.300 -0.393 0.000 2.481 524 Y HA 0.382 4.928 4.550 -0.007 0.000 0.258 524 Y C 1.415 176.935 175.900 -0.632 0.000 1.103 524 Y CA -0.583 57.112 58.100 -0.674 0.000 1.287 524 Y CB -0.951 36.653 38.460 -1.427 0.000 1.108 524 Y HN 0.500 nan 8.280 nan 0.000 0.529 525 N N 0.282 118.787 118.700 -0.326 0.000 2.725 525 N HA -0.248 4.488 4.740 -0.007 0.000 0.251 525 N C -0.041 175.366 175.510 -0.171 0.000 1.031 525 N CA -0.112 52.834 53.050 -0.174 0.000 0.720 525 N CB -0.947 37.500 38.487 -0.067 0.000 0.930 525 N HN 0.077 nan 8.380 nan 0.000 0.543 526 F N 0.303 120.002 119.950 -0.419 0.000 2.333 526 F HA -0.071 4.453 4.527 -0.006 0.000 0.300 526 F C 2.126 177.687 175.800 -0.398 0.000 1.083 526 F CA 1.047 58.621 58.000 -0.711 0.000 1.395 526 F CB -0.647 37.300 39.000 -1.755 0.000 1.056 526 F HN 0.357 nan 8.300 nan 0.000 0.529 527 N N -0.168 118.595 118.700 0.105 0.000 2.348 527 N HA -0.141 4.595 4.740 -0.007 0.000 0.185 527 N C 1.838 177.422 175.510 0.123 0.000 1.019 527 N CA 0.740 53.945 53.050 0.259 0.000 0.880 527 N CB -0.168 38.464 38.487 0.241 0.000 0.965 527 N HN 0.236 nan 8.380 nan 0.000 0.437 528 A N 0.595 123.455 122.820 0.066 0.000 2.169 528 A HA 0.119 4.435 4.320 -0.007 0.000 0.212 528 A C 0.850 178.452 177.584 0.031 0.000 1.153 528 A CA 0.065 52.126 52.037 0.040 0.000 0.756 528 A CB 0.031 19.044 19.000 0.022 0.000 0.813 528 A HN 0.135 nan 8.150 nan 0.000 0.471 529 I N 1.420 122.012 120.570 0.036 0.000 2.396 529 I HA 0.048 4.213 4.170 -0.007 0.000 0.289 529 I C 0.243 176.365 176.117 0.009 0.000 1.056 529 I CA -0.329 60.980 61.300 0.015 0.000 1.365 529 I CB 0.805 38.804 38.000 -0.001 0.000 1.407 529 I HN 0.258 nan 8.210 nan 0.000 0.509 530 N N 4.168 122.867 118.700 -0.002 0.000 2.392 530 N HA -0.056 4.680 4.740 -0.007 0.000 0.177 530 N C 0.673 176.173 175.510 -0.017 0.000 1.066 530 N CA 0.140 53.187 53.050 -0.006 0.000 0.895 530 N CB 0.007 38.492 38.487 -0.003 0.000 0.988 530 N HN 0.575 nan 8.380 nan 0.000 0.457 531 N N 2.454 121.141 118.700 -0.021 0.000 2.332 531 N HA -0.088 4.648 4.740 -0.007 0.000 0.274 531 N C 1.195 176.677 175.510 -0.046 0.000 1.351 531 N CA 0.194 53.231 53.050 -0.022 0.000 0.875 531 N CB 0.685 39.152 38.487 -0.033 0.000 1.140 531 N HN 0.169 nan 8.380 nan 0.000 0.489 532 S N 3.649 119.321 115.700 -0.048 0.000 2.383 532 S HA -0.137 4.329 4.470 -0.007 0.000 0.229 532 S C 1.283 175.678 174.600 -0.342 0.000 1.030 532 S CA 0.758 58.831 58.200 -0.212 0.000 1.002 532 S CB -0.062 63.071 63.200 -0.113 0.000 0.829 532 S HN 0.630 nan 8.310 nan 0.000 0.467 533 E N 1.286 121.458 120.200 -0.048 0.000 2.072 533 E HA 0.008 4.354 4.350 -0.007 0.000 0.191 533 E C 2.168 178.801 176.600 0.055 0.000 0.985 533 E CA 1.102 57.558 56.400 0.094 0.000 0.801 533 E CB -0.355 29.460 29.700 0.191 0.000 0.750 533 E HN 0.615 nan 8.360 nan 0.000 0.452 534 I N 0.631 121.191 120.570 -0.016 0.000 2.233 534 I HA -0.225 3.941 4.170 -0.007 0.000 0.243 534 I C 2.839 178.921 176.117 -0.059 0.000 1.093 534 I CA 0.836 62.093 61.300 -0.072 0.000 1.380 534 I CB -0.214 37.711 38.000 -0.126 0.000 1.067 534 I HN -0.004 nan 8.210 nan 0.000 0.413 535 R N 0.776 121.250 120.500 -0.045 0.000 2.083 535 R HA -0.252 4.084 4.340 -0.007 0.000 0.237 535 R C 2.465 178.768 176.300 0.006 0.000 1.137 535 R CA 1.914 58.029 56.100 0.024 0.000 0.951 535 R CB -0.494 29.799 30.300 -0.010 0.000 0.851 535 R HN 0.243 nan 8.270 nan 0.000 0.434 536 F N 1.516 121.283 119.950 -0.305 0.000 2.063 536 F HA -0.278 4.245 4.527 -0.008 0.000 0.298 536 F C 2.156 177.875 175.800 -0.136 0.000 1.109 536 F CA 1.994 59.813 58.000 -0.301 0.000 1.212 536 F CB -0.267 38.412 39.000 -0.535 0.000 0.973 536 F HN -0.044 nan 8.300 nan 0.000 0.480 537 R N -0.442 119.871 120.500 -0.311 0.000 2.092 537 R HA -0.217 4.119 4.340 -0.007 0.000 0.231 537 R C 2.404 178.565 176.300 -0.231 0.000 1.119 537 R CA 1.625 57.484 56.100 -0.402 0.000 0.970 537 R CB -1.153 29.032 30.300 -0.192 0.000 0.864 537 R HN 0.673 nan 8.270 nan 0.000 0.440 538 W N 1.674 122.790 121.300 -0.306 0.000 2.355 538 W HA -0.190 4.467 4.660 -0.006 0.000 0.309 538 W C 1.364 177.791 176.519 -0.154 0.000 1.206 538 W CA 1.159 58.370 57.345 -0.223 0.000 1.284 538 W CB -0.173 29.172 29.460 -0.191 0.000 1.145 538 W HN 0.067 nan 8.180 nan 0.000 0.502 539 L N 0.663 121.679 121.223 -0.345 0.000 2.046 539 L HA -0.208 4.128 4.340 -0.007 0.000 0.208 539 L C 2.878 179.504 176.870 -0.406 0.000 1.077 539 L CA 1.375 55.948 54.840 -0.446 0.000 0.747 539 L CB -0.868 41.042 42.059 -0.249 0.000 0.896 539 L HN -0.060 nan 8.230 nan 0.000 0.432 540 R N -0.245 120.009 120.500 -0.409 0.000 2.081 540 R HA -0.190 4.145 4.340 -0.007 0.000 0.235 540 R C 2.239 178.334 176.300 -0.342 0.000 1.131 540 R CA 1.307 57.173 56.100 -0.390 0.000 0.960 540 R CB -0.534 29.451 30.300 -0.526 0.000 0.856 540 R HN 0.195 nan 8.270 nan 0.000 0.436 541 L N 0.607 121.625 121.223 -0.341 0.000 2.046 541 L HA -0.192 4.144 4.340 -0.007 0.000 0.208 541 L C 2.105 178.772 176.870 -0.340 0.000 1.077 541 L CA 1.693 56.358 54.840 -0.291 0.000 0.747 541 L CB -0.444 41.495 42.059 -0.200 0.000 0.896 541 L HN 0.176 nan 8.230 nan 0.000 0.432 542 C N -0.567 118.447 119.300 -0.477 0.000 2.446 542 C HA -0.098 4.358 4.460 -0.007 0.000 0.277 542 C C 2.677 177.508 174.990 -0.265 0.000 1.275 542 C CA 0.396 59.185 59.018 -0.382 0.000 1.727 542 C CB -0.863 26.576 27.740 -0.501 0.000 2.010 542 C HN 0.557 nan 8.230 nan 0.000 0.486 543 I N 0.940 121.335 120.570 -0.293 0.000 2.202 543 I HA -0.180 3.986 4.170 -0.007 0.000 0.242 543 I C 2.536 178.396 176.117 -0.428 0.000 1.091 543 I CA 1.636 62.758 61.300 -0.297 0.000 1.368 543 I CB -1.684 36.214 38.000 -0.169 0.000 1.058 543 I HN 0.498 nan 8.210 nan 0.000 0.410 544 Q N 0.186 119.798 119.800 -0.314 0.000 2.226 544 Q HA -0.109 4.227 4.340 -0.007 0.000 0.204 544 Q C 1.918 177.733 176.000 -0.308 0.000 0.975 544 Q CA 1.422 57.055 55.803 -0.283 0.000 0.866 544 Q CB -0.118 28.492 28.738 -0.213 0.000 0.915 544 Q HN 0.388 nan 8.270 nan 0.000 0.440 545 S N 0.231 115.745 115.700 -0.310 0.000 2.575 545 S HA 0.049 4.514 4.470 -0.007 0.000 0.215 545 S C -0.165 174.246 174.600 -0.315 0.000 0.966 545 S CA -0.060 57.978 58.200 -0.269 0.000 0.911 545 S CB 0.376 63.444 63.200 -0.219 0.000 0.780 545 S HN 0.213 nan 8.310 nan 0.000 0.514 546 K N -0.157 119.906 120.400 -0.562 0.000 3.218 546 K HA -0.144 4.172 4.320 -0.007 0.000 0.276 546 K C -0.937 175.561 176.600 -0.170 0.000 1.173 546 K CA 0.462 56.254 56.287 -0.825 0.000 0.812 546 K CB -2.116 30.145 32.500 -0.397 0.000 1.275 546 K HN 0.529 nan 8.250 nan 0.000 0.504 547 W N 3.035 124.165 121.300 -0.283 0.000 2.416 547 W HA 0.211 4.866 4.660 -0.007 0.000 0.318 547 W C 1.187 177.759 176.519 0.088 0.000 1.150 547 W CA -0.920 56.378 57.345 -0.077 0.000 1.392 547 W CB 0.038 29.412 29.460 -0.144 0.000 1.311 547 W HN 0.192 nan 8.180 nan 0.000 0.436 548 E N 2.037 122.493 120.200 0.428 0.000 2.160 548 E HA -0.265 4.081 4.350 -0.007 0.000 0.195 548 E C 1.099 177.648 176.600 -0.085 0.000 0.991 548 E CA 1.764 58.293 56.400 0.215 0.000 0.810 548 E CB 0.233 30.031 29.700 0.164 0.000 0.742 548 E HN 0.404 nan 8.360 nan 0.000 0.466 549 D N 0.181 120.338 120.400 -0.406 0.000 2.263 549 D HA -0.122 4.514 4.640 -0.007 0.000 0.208 549 D C 1.570 177.526 176.300 -0.572 0.000 0.971 549 D CA 1.097 54.737 54.000 -0.599 0.000 0.867 549 D CB -0.089 40.106 40.800 -1.009 0.000 0.929 549 D HN 0.208 nan 8.370 nan 0.000 0.492 550 A N -0.186 122.300 122.820 -0.556 0.000 2.132 550 A HA 0.068 4.384 4.320 -0.007 0.000 0.213 550 A C 2.119 179.581 177.584 -0.204 0.000 1.154 550 A CA -0.005 51.794 52.037 -0.396 0.000 0.753 550 A CB -0.339 18.447 19.000 -0.357 0.000 0.826 550 A HN 0.144 nan 8.150 nan 0.000 0.469 551 I N 0.951 121.454 120.570 -0.112 0.000 2.118 551 I HA -0.210 3.956 4.170 -0.007 0.000 0.241 551 I C -0.300 175.758 176.117 -0.098 0.000 1.070 551 I CA 1.832 63.096 61.300 -0.060 0.000 1.327 551 I CB -1.013 36.968 38.000 -0.031 0.000 1.034 551 I HN 0.256 nan 8.210 nan 0.000 0.405 552 P HA -0.138 nan 4.420 nan 0.000 0.218 552 P C 1.934 179.171 177.300 -0.104 0.000 1.149 552 P CA 1.546 64.589 63.100 -0.095 0.000 0.817 552 P CB -0.061 31.587 31.700 -0.087 0.000 0.785 553 L N -0.401 120.747 121.223 -0.125 0.000 2.027 553 L HA -0.115 4.221 4.340 -0.007 0.000 0.206 553 L C 2.801 179.600 176.870 -0.119 0.000 1.074 553 L CA 1.730 56.503 54.840 -0.112 0.000 0.745 553 L CB -1.465 40.521 42.059 -0.122 0.000 0.898 553 L HN -0.058 nan 8.230 nan 0.000 0.433 554 A N 0.187 122.921 122.820 -0.143 0.000 1.902 554 A HA -0.154 4.162 4.320 -0.007 0.000 0.217 554 A C 2.288 179.756 177.584 -0.194 0.000 1.181 554 A CA 1.412 53.356 52.037 -0.154 0.000 0.623 554 A CB -0.668 18.242 19.000 -0.149 0.000 0.818 554 A HN 0.341 nan 8.150 nan 0.000 0.443 555 L N -0.667 120.443 121.223 -0.189 0.000 2.056 555 L HA -0.185 4.151 4.340 -0.007 0.000 0.207 555 L C 2.637 179.378 176.870 -0.215 0.000 1.078 555 L CA 1.926 56.622 54.840 -0.241 0.000 0.749 555 L CB -0.323 41.644 42.059 -0.154 0.000 0.901 555 L HN 0.534 nan 8.230 nan 0.000 0.433 556 K N 0.345 120.662 120.400 -0.138 0.000 2.057 556 K HA -0.236 4.080 4.320 -0.007 0.000 0.207 556 K C 2.226 178.768 176.600 -0.096 0.000 1.049 556 K CA 1.615 57.843 56.287 -0.097 0.000 0.931 556 K CB -0.120 32.342 32.500 -0.065 0.000 0.714 556 K HN 0.150 nan 8.250 nan 0.000 0.440 557 M N 0.261 119.801 119.600 -0.102 0.000 2.175 557 M HA -0.066 4.410 4.480 -0.007 0.000 0.264 557 M C 2.020 178.266 176.300 -0.089 0.000 1.063 557 M CA 1.621 56.874 55.300 -0.078 0.000 1.119 557 M CB -0.108 32.448 32.600 -0.074 0.000 1.377 557 M HN 0.292 nan 8.290 nan 0.000 0.415 558 A N -0.115 122.593 122.820 -0.187 0.000 1.978 558 A HA -0.175 4.141 4.320 -0.007 0.000 0.220 558 A C 2.063 179.555 177.584 -0.154 0.000 1.170 558 A CA 2.314 54.190 52.037 -0.269 0.000 0.636 558 A CB -1.068 17.481 19.000 -0.751 0.000 0.810 558 A HN 0.710 nan 8.150 nan 0.000 0.448 559 T N -3.914 110.539 114.554 -0.167 0.000 3.000 559 T HA 0.179 4.525 4.350 -0.007 0.000 0.248 559 T C 1.397 176.077 174.700 -0.034 0.000 1.034 559 T CA 0.677 62.693 62.100 -0.140 0.000 1.060 559 T CB 0.016 68.644 68.868 -0.400 0.000 0.983 559 T HN 0.510 nan 8.240 nan 0.000 0.482 560 E N 1.178 121.366 120.200 -0.021 0.000 2.427 560 E HA 0.054 4.400 4.350 -0.007 0.000 0.196 560 E C 0.559 177.186 176.600 0.045 0.000 1.028 560 E CA 0.383 56.797 56.400 0.024 0.000 0.864 560 E CB 0.160 29.867 29.700 0.013 0.000 0.813 560 E HN 0.725 nan 8.360 nan 0.000 0.514 561 Q N -1.988 117.842 119.800 0.050 0.000 2.605 561 Q HA 0.556 4.892 4.340 -0.007 0.000 0.296 561 Q C 0.186 176.235 176.000 0.082 0.000 1.056 561 Q CA -0.862 54.987 55.803 0.078 0.000 0.778 561 Q CB 1.131 29.929 28.738 0.101 0.000 1.497 561 Q HN -0.058 nan 8.270 nan 0.000 0.443 562 G N -0.324 108.518 108.800 0.069 0.000 4.299 562 G HA2 0.126 4.082 3.960 -0.007 0.000 0.290 562 G HA3 0.126 4.082 3.960 -0.007 0.000 0.290 562 G C -0.597 174.257 174.900 -0.076 0.000 1.019 562 G CA -0.545 44.578 45.100 0.039 0.000 0.790 562 G HN 0.437 nan 8.290 nan 0.000 0.452 563 R N 0.812 121.256 120.500 -0.093 0.000 2.421 563 R HA 0.248 4.583 4.340 -0.007 0.000 0.305 563 R C 1.460 177.554 176.300 -0.344 0.000 1.039 563 R CA -0.273 55.654 56.100 -0.288 0.000 1.003 563 R CB 0.297 30.394 30.300 -0.338 0.000 0.959 563 R HN 0.157 nan 8.270 nan 0.000 0.427 564 M N 3.547 122.889 119.600 -0.432 0.000 2.229 564 M HA -0.202 4.274 4.480 -0.007 0.000 0.264 564 M C 2.013 178.132 176.300 -0.301 0.000 1.063 564 M CA 1.620 56.726 55.300 -0.323 0.000 1.114 564 M CB -0.222 32.142 32.600 -0.394 0.000 1.387 564 M HN 0.648 nan 8.290 nan 0.000 0.420 565 K N 0.370 120.489 120.400 -0.468 0.000 2.144 565 K HA -0.214 4.102 4.320 -0.007 0.000 0.209 565 K C 1.291 177.507 176.600 -0.641 0.000 1.047 565 K CA 1.790 57.734 56.287 -0.572 0.000 0.927 565 K CB 0.058 32.009 32.500 -0.914 0.000 0.716 565 K HN 0.176 nan 8.250 nan 0.000 0.454 566 F N -0.630 118.999 119.950 -0.535 0.000 2.399 566 F HA 0.115 4.638 4.527 -0.007 0.000 0.282 566 F C 2.483 178.211 175.800 -0.121 0.000 1.027 566 F CA 0.510 58.134 58.000 -0.626 0.000 1.333 566 F CB -0.974 37.763 39.000 -0.438 0.000 1.132 566 F HN -0.106 nan 8.300 nan 0.000 0.590 567 T N 0.940 115.558 114.554 0.107 0.000 2.684 567 T HA -0.178 4.168 4.350 -0.007 0.000 0.267 567 T C 2.162 176.987 174.700 0.208 0.000 1.036 567 T CA 1.693 63.877 62.100 0.141 0.000 1.148 567 T CB -0.233 68.718 68.868 0.139 0.000 0.863 567 T HN 0.107 nan 8.240 nan 0.000 0.436 568 R N 0.714 121.287 120.500 0.121 0.000 2.070 568 R HA -0.071 4.265 4.340 -0.007 0.000 0.233 568 R C -0.425 175.965 176.300 0.150 0.000 1.137 568 R CA 1.634 57.804 56.100 0.117 0.000 0.945 568 R CB -1.373 28.940 30.300 0.023 0.000 0.845 568 R HN 0.370 nan 8.270 nan 0.000 0.430 569 P HA -0.102 nan 4.420 nan 0.000 0.219 569 P C 1.089 178.488 177.300 0.164 0.000 1.150 569 P CA 1.095 64.310 63.100 0.192 0.000 0.814 569 P CB 0.019 31.912 31.700 0.321 0.000 0.787 570 L N -2.465 118.878 121.223 0.200 0.000 2.027 570 L HA -0.156 4.180 4.340 -0.007 0.000 0.206 570 L C 2.331 179.194 176.870 -0.011 0.000 1.074 570 L CA 1.445 56.313 54.840 0.048 0.000 0.745 570 L CB -0.952 41.100 42.059 -0.012 0.000 0.898 570 L HN -0.105 nan 8.230 nan 0.000 0.433 571 F N 0.466 120.431 119.950 0.026 0.000 2.126 571 F HA -0.238 4.285 4.527 -0.006 0.000 0.299 571 F C 2.635 178.423 175.800 -0.019 0.000 1.096 571 F CA 1.510 59.503 58.000 -0.012 0.000 1.255 571 F CB -0.368 38.605 39.000 -0.044 0.000 0.997 571 F HN -0.056 nan 8.300 nan 0.000 0.479 572 K N -0.057 120.448 120.400 0.176 0.000 2.057 572 K HA -0.172 4.144 4.320 -0.007 0.000 0.206 572 K C 1.687 178.333 176.600 0.077 0.000 1.050 572 K CA 1.678 58.021 56.287 0.094 0.000 0.935 572 K CB -0.158 32.373 32.500 0.051 0.000 0.715 572 K HN 0.105 nan 8.250 nan 0.000 0.439 573 D N 0.705 121.137 120.400 0.053 0.000 2.117 573 D HA -0.120 4.516 4.640 -0.007 0.000 0.198 573 D C 1.877 178.227 176.300 0.083 0.000 0.982 573 D CA 0.868 54.883 54.000 0.025 0.000 0.828 573 D CB -0.112 40.664 40.800 -0.039 0.000 0.967 573 D HN 0.118 nan 8.370 nan 0.000 0.464 574 L N 0.553 121.826 121.223 0.083 0.000 2.042 574 L HA -0.179 4.157 4.340 -0.007 0.000 0.210 574 L C 2.405 179.366 176.870 0.152 0.000 1.076 574 L CA 1.306 56.217 54.840 0.118 0.000 0.749 574 L CB -0.432 41.650 42.059 0.039 0.000 0.893 574 L HN -0.007 nan 8.230 nan 0.000 0.432 575 A N -0.349 122.556 122.820 0.142 0.000 2.015 575 A HA -0.041 4.275 4.320 -0.007 0.000 0.219 575 A C 2.336 180.092 177.584 0.286 0.000 1.163 575 A CA 1.522 53.664 52.037 0.175 0.000 0.646 575 A CB -0.508 18.561 19.000 0.114 0.000 0.806 575 A HN 0.401 nan 8.150 nan 0.000 0.448 576 A N -1.944 120.994 122.820 0.197 0.000 2.238 576 A HA 0.381 4.697 4.320 -0.007 0.000 0.210 576 A C 0.431 178.145 177.584 0.216 0.000 1.179 576 A CA -0.106 52.026 52.037 0.159 0.000 0.827 576 A CB -0.187 18.863 19.000 0.084 0.000 0.856 576 A HN 0.399 nan 8.150 nan 0.000 0.488 577 F N 2.418 122.396 119.950 0.047 0.000 2.371 577 F HA 0.322 4.844 4.527 -0.007 0.000 0.363 577 F C 0.906 176.742 175.800 0.060 0.000 1.122 577 F CA -1.982 56.036 58.000 0.031 0.000 1.129 577 F CB 0.778 39.783 39.000 0.009 0.000 1.173 577 F HN 0.331 nan 8.300 nan 0.000 0.489 578 D N 3.961 124.449 120.400 0.147 0.000 2.158 578 D HA -0.234 4.402 4.640 -0.007 0.000 0.197 578 D C 1.308 177.475 176.300 -0.221 0.000 0.995 578 D CA 1.476 55.457 54.000 -0.032 0.000 0.846 578 D CB -0.151 40.645 40.800 -0.006 0.000 0.941 578 D HN 0.421 nan 8.370 nan 0.000 0.456 579 K N 0.036 120.053 120.400 -0.638 0.000 2.211 579 K HA -0.005 4.310 4.320 -0.007 0.000 0.203 579 K C 2.084 178.401 176.600 -0.472 0.000 1.050 579 K CA 1.305 57.208 56.287 -0.639 0.000 0.945 579 K CB -0.090 31.883 32.500 -0.878 0.000 0.732 579 K HN 0.446 nan 8.250 nan 0.000 0.451 580 S N -0.723 114.691 115.700 -0.478 0.000 2.512 580 S HA -0.007 4.459 4.470 -0.007 0.000 0.216 580 S C 1.719 176.298 174.600 -0.034 0.000 1.006 580 S CA -0.282 57.807 58.200 -0.186 0.000 0.915 580 S CB -0.251 62.891 63.200 -0.096 0.000 0.824 580 S HN 0.281 nan 8.310 nan 0.000 0.497 581 H N 2.757 121.784 119.070 -0.070 0.000 2.265 581 H HA -0.169 4.383 4.556 -0.007 0.000 0.293 581 H C 1.019 176.357 175.328 0.016 0.000 1.089 581 H CA 2.517 58.564 56.048 -0.000 0.000 1.244 581 H CB -0.428 29.332 29.762 -0.003 0.000 1.355 581 H HN 0.348 nan 8.280 nan 0.000 0.485 582 D N 0.441 120.885 120.400 0.073 0.000 2.117 582 D HA -0.142 4.494 4.640 -0.007 0.000 0.197 582 D C 2.392 178.680 176.300 -0.020 0.000 0.987 582 D CA 0.772 54.790 54.000 0.030 0.000 0.829 582 D CB -0.469 40.373 40.800 0.069 0.000 0.961 582 D HN 0.514 nan 8.370 nan 0.000 0.460 583 Q N 0.029 119.822 119.800 -0.011 0.000 2.084 583 Q HA -0.108 4.228 4.340 -0.007 0.000 0.202 583 Q C 2.139 178.169 176.000 0.050 0.000 0.978 583 Q CA 1.251 57.059 55.803 0.009 0.000 0.844 583 Q CB -0.044 28.690 28.738 -0.007 0.000 0.898 583 Q HN 0.217 nan 8.270 nan 0.000 0.426 584 A N -0.052 122.793 122.820 0.042 0.000 1.883 584 A HA -0.184 4.132 4.320 -0.007 0.000 0.217 584 A C 2.213 179.912 177.584 0.191 0.000 1.186 584 A CA 1.736 53.878 52.037 0.174 0.000 0.624 584 A CB -0.823 18.256 19.000 0.131 0.000 0.822 584 A HN 0.273 nan 8.150 nan 0.000 0.444 585 V N -0.244 119.663 119.914 -0.012 0.000 2.358 585 V HA -0.238 3.878 4.120 -0.007 0.000 0.246 585 V C 2.645 178.788 176.094 0.082 0.000 1.047 585 V CA 2.154 64.452 62.300 -0.003 0.000 1.035 585 V CB -0.805 30.945 31.823 -0.121 0.000 0.658 585 V HN 0.502 nan 8.190 nan 0.000 0.452 586 R N -0.279 120.258 120.500 0.061 0.000 2.081 586 R HA -0.136 4.200 4.340 -0.007 0.000 0.235 586 R C 2.430 178.797 176.300 0.111 0.000 1.131 586 R CA 1.947 58.086 56.100 0.066 0.000 0.960 586 R CB -0.652 29.676 30.300 0.048 0.000 0.856 586 R HN 0.502 nan 8.270 nan 0.000 0.436 587 T N 0.363 115.026 114.554 0.182 0.000 2.746 587 T HA -0.195 4.151 4.350 -0.007 0.000 0.267 587 T C 1.426 176.324 174.700 0.330 0.000 1.039 587 T CA 1.389 63.657 62.100 0.281 0.000 1.142 587 T CB -0.407 68.629 68.868 0.281 0.000 0.866 587 T HN 0.322 nan 8.240 nan 0.000 0.444 588 Y N 2.023 122.393 120.300 0.117 0.000 2.114 588 Y HA -0.200 4.346 4.550 -0.006 0.000 0.284 588 Y C 2.510 178.396 175.900 -0.023 0.000 1.143 588 Y CA 1.445 59.464 58.100 -0.135 0.000 1.135 588 Y CB -0.632 37.534 38.460 -0.490 0.000 0.980 588 Y HN 0.205 nan 8.280 nan 0.000 0.499 589 Q N 0.036 119.692 119.800 -0.239 0.000 2.096 589 Q HA -0.242 4.094 4.340 -0.007 0.000 0.204 589 Q C 2.151 178.025 176.000 -0.210 0.000 0.982 589 Q CA 2.183 57.811 55.803 -0.291 0.000 0.850 589 Q CB -0.202 28.479 28.738 -0.095 0.000 0.901 589 Q HN 0.646 nan 8.270 nan 0.000 0.422 590 E N -0.863 119.293 120.200 -0.074 0.000 2.208 590 E HA -0.160 4.186 4.350 -0.007 0.000 0.193 590 E C 1.478 177.987 176.600 -0.153 0.000 0.988 590 E CA 0.834 57.187 56.400 -0.078 0.000 0.828 590 E CB 0.103 29.791 29.700 -0.020 0.000 0.763 590 E HN 0.451 nan 8.360 nan 0.000 0.478 591 H N -0.208 118.799 119.070 -0.105 0.000 2.582 591 H HA 0.090 4.642 4.556 -0.007 0.000 0.269 591 H C 1.748 177.005 175.328 -0.117 0.000 0.962 591 H CA 0.720 56.736 56.048 -0.054 0.000 1.230 591 H CB 0.290 30.087 29.762 0.059 0.000 1.445 591 H HN -0.058 nan 8.280 nan 0.000 0.528 592 K N 1.117 121.392 120.400 -0.208 0.000 2.049 592 K HA -0.294 4.022 4.320 -0.007 0.000 0.219 592 K C 2.154 178.684 176.600 -0.117 0.000 1.056 592 K CA 1.942 58.045 56.287 -0.307 0.000 0.946 592 K CB -0.312 31.816 32.500 -0.620 0.000 0.723 592 K HN 0.287 nan 8.250 nan 0.000 0.453 593 A N 0.058 122.812 122.820 -0.111 0.000 2.070 593 A HA -0.100 4.216 4.320 -0.007 0.000 0.220 593 A C 1.839 179.408 177.584 -0.025 0.000 1.159 593 A CA 1.857 53.856 52.037 -0.064 0.000 0.656 593 A CB -0.381 18.577 19.000 -0.070 0.000 0.800 593 A HN 0.560 nan 8.150 nan 0.000 0.453 594 S N -1.881 113.814 115.700 -0.008 0.000 2.575 594 S HA 0.511 4.977 4.470 -0.007 0.000 0.237 594 S C 0.399 175.050 174.600 0.084 0.000 0.975 594 S CA -0.485 57.736 58.200 0.035 0.000 0.960 594 S CB -0.342 62.873 63.200 0.027 0.000 0.822 594 S HN 0.396 nan 8.310 nan 0.000 0.472 595 M N 1.563 121.211 119.600 0.080 0.000 2.267 595 M HA 0.332 4.808 4.480 -0.007 0.000 0.303 595 M C 0.388 176.750 176.300 0.104 0.000 1.164 595 M CA -0.613 54.763 55.300 0.127 0.000 1.060 595 M CB 0.428 33.112 32.600 0.141 0.000 1.455 595 M HN 0.371 nan 8.290 nan 0.000 0.483 596 H N 2.704 121.810 119.070 0.059 0.000 2.928 596 H HA 0.030 4.581 4.556 -0.007 0.000 0.338 596 H C -1.739 173.584 175.328 -0.009 0.000 1.047 596 H CA -0.518 55.541 56.048 0.019 0.000 1.435 596 H CB 0.729 30.516 29.762 0.042 0.000 1.428 596 H HN 0.239 nan 8.280 nan 0.000 0.590 597 P HA -0.190 nan 4.420 nan 0.000 0.216 597 P C 1.246 178.548 177.300 0.004 0.000 1.150 597 P CA 1.023 64.035 63.100 -0.148 0.000 0.837 597 P CB 0.306 31.863 31.700 -0.238 0.000 0.786 598 V N 0.270 120.279 119.914 0.158 0.000 2.407 598 V HA -0.149 3.967 4.120 -0.007 0.000 0.245 598 V C 2.658 178.795 176.094 0.072 0.000 1.041 598 V CA 2.395 64.758 62.300 0.105 0.000 1.040 598 V CB -1.907 29.961 31.823 0.075 0.000 0.671 598 V HN 0.151 nan 8.190 nan 0.000 0.455 599 T N 0.781 115.401 114.554 0.110 0.000 2.720 599 T HA -0.200 4.146 4.350 -0.007 0.000 0.268 599 T C 2.072 176.809 174.700 0.061 0.000 1.037 599 T CA 1.734 63.848 62.100 0.023 0.000 1.144 599 T CB -0.440 68.446 68.868 0.030 0.000 0.864 599 T HN 0.560 nan 8.240 nan 0.000 0.444 600 A N 1.743 124.633 122.820 0.116 0.000 1.902 600 A HA -0.042 4.274 4.320 -0.007 0.000 0.217 600 A C 2.301 179.974 177.584 0.148 0.000 1.181 600 A CA 1.545 53.692 52.037 0.184 0.000 0.623 600 A CB -0.652 18.423 19.000 0.125 0.000 0.818 600 A HN 0.400 nan 8.150 nan 0.000 0.443 601 M N -0.323 119.322 119.600 0.075 0.000 2.099 601 M HA -0.072 4.404 4.480 -0.007 0.000 0.262 601 M C 2.008 178.306 176.300 -0.004 0.000 1.067 601 M CA 1.741 57.069 55.300 0.047 0.000 1.124 601 M CB -0.681 31.943 32.600 0.040 0.000 1.353 601 M HN 0.426 nan 8.290 nan 0.000 0.410 602 L N -0.570 120.639 121.223 -0.023 0.000 2.056 602 L HA -0.167 4.169 4.340 -0.007 0.000 0.207 602 L C 2.424 179.220 176.870 -0.122 0.000 1.078 602 L CA 0.624 55.434 54.840 -0.051 0.000 0.749 602 L CB -0.705 41.329 42.059 -0.042 0.000 0.901 602 L HN 0.095 nan 8.230 nan 0.000 0.433 603 V N 0.283 120.084 119.914 -0.187 0.000 2.343 603 V HA -0.229 3.886 4.120 -0.007 0.000 0.247 603 V C 2.647 178.343 176.094 -0.663 0.000 1.051 603 V CA 2.009 64.063 62.300 -0.410 0.000 1.036 603 V CB -1.335 30.177 31.823 -0.519 0.000 0.654 603 V HN 0.580 nan 8.190 nan 0.000 0.451 604 G N -0.386 108.045 108.800 -0.614 0.000 2.476 604 G HA2 -0.283 3.673 3.960 -0.007 0.000 0.218 604 G HA3 -0.283 3.673 3.960 -0.007 0.000 0.218 604 G C 1.691 176.461 174.900 -0.217 0.000 1.164 604 G CA 1.020 45.864 45.100 -0.428 0.000 0.768 604 G HN 0.461 nan 8.290 nan 0.000 0.560 605 K N 0.087 120.410 120.400 -0.129 0.000 2.057 605 K HA -0.069 4.247 4.320 -0.007 0.000 0.206 605 K C 2.222 178.777 176.600 -0.075 0.000 1.050 605 K CA 1.262 57.512 56.287 -0.061 0.000 0.935 605 K CB -0.134 32.356 32.500 -0.016 0.000 0.715 605 K HN 0.146 nan 8.250 nan 0.000 0.439 606 D N 0.989 121.323 120.400 -0.112 0.000 2.123 606 D HA -0.145 4.491 4.640 -0.007 0.000 0.196 606 D C 1.734 177.982 176.300 -0.088 0.000 0.992 606 D CA 1.079 55.028 54.000 -0.084 0.000 0.833 606 D CB -0.055 40.691 40.800 -0.090 0.000 0.954 606 D HN 0.162 nan 8.370 nan 0.000 0.455 607 L N -0.002 121.120 121.223 -0.169 0.000 2.554 607 L HA 0.069 4.405 4.340 -0.007 0.000 0.226 607 L C 0.324 177.156 176.870 -0.062 0.000 1.137 607 L CA 0.160 54.917 54.840 -0.138 0.000 0.863 607 L CB -0.191 41.695 42.059 -0.289 0.000 0.985 607 L HN 0.009 nan 8.230 nan 0.000 0.451 608 K N 0.404 120.769 120.400 -0.057 0.000 3.096 608 K HA -0.147 4.169 4.320 -0.007 0.000 0.266 608 K C -0.287 176.314 176.600 0.001 0.000 1.043 608 K CA 0.552 56.832 56.287 -0.012 0.000 0.758 608 K CB -2.198 30.313 32.500 0.018 0.000 1.260 608 K HN 0.315 nan 8.250 nan 0.000 0.481 609 V N -1.887 118.015 119.914 -0.019 0.000 2.448 609 V HA 0.825 4.941 4.120 -0.007 0.000 0.295 609 V C -0.104 176.035 176.094 0.075 0.000 1.025 609 V CA -0.297 62.028 62.300 0.041 0.000 0.859 609 V CB 2.073 33.945 31.823 0.081 0.000 0.988 609 V HN 0.408 nan 8.190 nan 0.000 0.431 610 D N 0.000 120.440 120.400 0.067 0.000 6.856 610 D HA 0.000 4.636 4.640 -0.007 0.000 0.175 610 D CA 0.000 54.034 54.000 0.057 0.000 0.868 610 D CB 0.000 40.840 40.800 0.066 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683