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 2ign_1_F DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.236 176.300 -0.107 0.000 1.140 43 M CA 0.000 55.228 55.300 -0.121 0.000 0.988 43 M CB 0.000 32.400 32.600 -0.333 0.000 1.302 44 D N 1.108 121.490 120.400 -0.031 0.000 2.378 44 D HA 0.340 4.980 4.640 0.000 0.000 0.238 44 D C 1.188 177.411 176.300 -0.128 0.000 1.180 44 D CA 0.486 54.404 54.000 -0.137 0.000 0.895 44 D CB 0.780 41.401 40.800 -0.299 0.000 1.192 44 D HN 0.599 nan 8.370 nan 0.000 0.438 45 I N -2.109 118.370 120.570 -0.152 0.000 3.947 45 I HA 0.341 4.511 4.170 0.000 0.000 0.327 45 I C -0.119 175.964 176.117 -0.057 0.000 1.519 45 I CA -0.454 60.831 61.300 -0.026 0.000 1.122 45 I CB 0.190 38.191 38.000 0.002 0.000 1.146 45 I HN -0.029 nan 8.210 nan 0.000 0.442 46 K N 0.986 121.185 120.400 -0.336 0.000 2.502 46 K HA 0.624 4.944 4.320 0.000 0.000 0.254 46 K C -1.889 174.372 176.600 -0.566 0.000 0.947 46 K CA -0.403 55.716 56.287 -0.280 0.000 0.834 46 K CB 0.977 33.379 32.500 -0.163 0.000 1.112 46 K HN 0.162 nan 8.250 nan 0.000 0.427 47 Y N 1.163 121.448 120.300 -0.025 0.000 2.605 47 Y HA 0.270 4.820 4.550 0.000 0.000 0.343 47 Y C 0.671 176.540 175.900 -0.052 0.000 1.036 47 Y CA -0.811 57.266 58.100 -0.039 0.000 1.065 47 Y CB 1.848 40.284 38.460 -0.039 0.000 1.288 47 Y HN 0.586 nan 8.280 nan 0.000 0.481 48 D N 0.105 120.586 120.400 0.134 0.000 2.091 48 D HA 0.017 4.657 4.640 0.000 0.000 0.199 48 D C -0.265 176.032 176.300 -0.004 0.000 0.980 48 D CA 1.509 55.570 54.000 0.102 0.000 0.831 48 D CB 0.188 41.115 40.800 0.212 0.000 0.987 48 D HN 0.114 nan 8.370 nan 0.000 0.460 49 V N 1.223 121.130 119.914 -0.013 0.000 2.656 49 V HA 0.404 4.524 4.120 0.000 0.000 0.307 49 V C -0.175 175.832 176.094 -0.145 0.000 1.051 49 V CA -1.018 61.187 62.300 -0.158 0.000 0.893 49 V CB 2.318 34.028 31.823 -0.188 0.000 0.999 49 V HN 0.020 nan 8.190 nan 0.000 0.426 50 V N 3.013 122.797 119.914 -0.218 0.000 2.628 50 V HA 0.759 4.879 4.120 0.000 0.000 0.306 50 V C -0.670 175.374 176.094 -0.082 0.000 1.045 50 V CA -0.601 61.629 62.300 -0.117 0.000 0.905 50 V CB 1.740 33.556 31.823 -0.011 0.000 0.997 50 V HN 0.694 nan 8.190 nan 0.000 0.436 51 I N 4.168 124.719 120.570 -0.031 0.000 2.436 51 I HA 0.476 4.646 4.170 0.000 0.000 0.289 51 I C -0.629 175.517 176.117 0.047 0.000 1.010 51 I CA -0.911 60.356 61.300 -0.054 0.000 1.098 51 I CB 2.236 40.188 38.000 -0.080 0.000 1.266 51 I HN 0.442 nan 8.210 nan 0.000 0.434 52 V N 5.525 125.446 119.914 0.012 0.000 2.364 52 V HA 0.780 4.900 4.120 0.000 0.000 0.272 52 V C 0.508 176.608 176.094 0.009 0.000 1.036 52 V CA -0.227 62.099 62.300 0.043 0.000 0.880 52 V CB 0.614 32.435 31.823 -0.003 0.000 0.991 52 V HN 1.065 nan 8.190 nan 0.000 0.460 53 G N 4.057 112.879 108.800 0.037 0.000 2.911 53 G HA2 -0.046 3.914 3.960 0.000 0.000 0.686 53 G HA3 -0.046 3.914 3.960 0.000 0.000 0.686 53 G C -0.022 174.896 174.900 0.031 0.000 1.136 53 G CA -0.235 44.880 45.100 0.024 0.000 0.764 53 G HN 1.368 nan 8.290 nan 0.000 0.626 54 S N 1.221 116.943 115.700 0.036 0.000 2.588 54 S HA 0.609 5.079 4.470 0.000 0.000 0.245 54 S C 1.287 175.906 174.600 0.031 0.000 1.021 54 S CA 0.711 58.940 58.200 0.049 0.000 1.006 54 S CB 0.571 63.811 63.200 0.067 0.000 0.830 54 S HN 1.945 nan 8.310 nan 0.000 0.468 55 G N 2.650 111.459 108.800 0.015 0.000 2.570 55 G HA2 0.396 4.356 3.960 0.000 0.000 0.276 55 G HA3 0.396 4.356 3.960 0.000 0.000 0.276 55 G C -1.133 173.758 174.900 -0.015 0.000 1.346 55 G CA -1.290 43.805 45.100 -0.009 0.000 1.034 55 G HN 0.257 nan 8.290 nan 0.000 0.512 56 P HA -0.064 nan 4.420 nan 0.000 0.220 56 P C 1.681 178.942 177.300 -0.065 0.000 1.148 56 P CA 0.757 63.828 63.100 -0.049 0.000 0.803 56 P CB 0.205 31.904 31.700 -0.001 0.000 0.782 57 I N 0.223 120.786 120.570 -0.013 0.000 2.277 57 I HA -0.024 4.146 4.170 0.000 0.000 0.243 57 I C 2.741 178.924 176.117 0.110 0.000 1.094 57 I CA 1.431 62.753 61.300 0.036 0.000 1.393 57 I CB -2.293 35.754 38.000 0.077 0.000 1.078 57 I HN -0.006 nan 8.210 nan 0.000 0.417 58 G N 0.427 109.268 108.800 0.068 0.000 2.469 58 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 58 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 58 G C 1.761 176.667 174.900 0.010 0.000 1.150 58 G CA 1.180 46.308 45.100 0.046 0.000 0.763 58 G HN 0.423 nan 8.290 nan 0.000 0.561 59 C N 0.598 119.881 119.300 -0.028 0.000 2.432 59 C HA 0.043 4.503 4.460 0.000 0.000 0.282 59 C C 3.168 178.041 174.990 -0.194 0.000 1.388 59 C CA 1.325 60.284 59.018 -0.098 0.000 1.777 59 C CB -1.013 26.719 27.740 -0.013 0.000 1.882 59 C HN 0.460 nan 8.230 nan 0.000 0.520 60 T N 0.006 114.475 114.554 -0.141 0.000 2.737 60 T HA -0.143 4.207 4.350 0.000 0.000 0.265 60 T C 1.473 176.027 174.700 -0.243 0.000 1.038 60 T CA 1.549 63.536 62.100 -0.188 0.000 1.144 60 T CB -0.414 68.357 68.868 -0.161 0.000 0.866 60 T HN 0.547 nan 8.240 nan 0.000 0.434 61 Y N 1.641 121.808 120.300 -0.221 0.000 2.128 61 Y HA -0.106 4.444 4.550 0.000 0.000 0.284 61 Y C 2.793 178.479 175.900 -0.357 0.000 1.154 61 Y CA 1.025 58.972 58.100 -0.255 0.000 1.149 61 Y CB -0.752 37.577 38.460 -0.218 0.000 0.976 61 Y HN 0.196 nan 8.280 nan 0.000 0.505 62 A N 0.216 122.851 122.820 -0.309 0.000 1.865 62 A HA -0.266 4.054 4.320 0.000 0.000 0.217 62 A C 2.303 179.297 177.584 -0.984 0.000 1.191 62 A CA 2.020 53.616 52.037 -0.734 0.000 0.623 62 A CB -0.825 17.504 19.000 -1.118 0.000 0.826 62 A HN 0.430 nan 8.150 nan 0.000 0.444 63 R N -0.500 119.478 120.500 -0.869 0.000 2.083 63 R HA -0.169 4.171 4.340 0.000 0.000 0.237 63 R C 2.120 178.212 176.300 -0.346 0.000 1.137 63 R CA 1.803 57.563 56.100 -0.567 0.000 0.951 63 R CB -0.286 29.721 30.300 -0.488 0.000 0.851 63 R HN 0.612 nan 8.270 nan 0.000 0.434 64 E N 0.383 120.411 120.200 -0.288 0.000 2.051 64 E HA -0.184 4.166 4.350 0.000 0.000 0.192 64 E C 2.152 178.672 176.600 -0.134 0.000 0.991 64 E CA 1.267 57.567 56.400 -0.165 0.000 0.799 64 E CB -0.095 29.501 29.700 -0.174 0.000 0.748 64 E HN 0.415 nan 8.360 nan 0.000 0.449 65 L N 0.322 121.432 121.223 -0.188 0.000 2.127 65 L HA -0.068 4.272 4.340 0.000 0.000 0.203 65 L C 2.571 179.460 176.870 0.032 0.000 1.080 65 L CA 0.354 55.117 54.840 -0.128 0.000 0.768 65 L CB -0.348 41.539 42.059 -0.288 0.000 0.924 65 L HN -0.051 nan 8.230 nan 0.000 0.444 66 V N 0.589 120.445 119.914 -0.098 0.000 2.407 66 V HA -0.194 3.926 4.120 0.000 0.000 0.248 66 V C 2.610 178.726 176.094 0.036 0.000 1.055 66 V CA 2.020 64.308 62.300 -0.020 0.000 1.049 66 V CB -1.191 30.556 31.823 -0.127 0.000 0.662 66 V HN 0.568 nan 8.190 nan 0.000 0.455 67 G N -0.502 108.293 108.800 -0.008 0.000 2.443 67 G HA2 -0.102 3.858 3.960 0.000 0.000 0.219 67 G HA3 -0.102 3.858 3.960 0.000 0.000 0.219 67 G C 1.437 176.369 174.900 0.053 0.000 1.131 67 G CA 0.771 45.885 45.100 0.024 0.000 0.775 67 G HN 0.630 nan 8.290 nan 0.000 0.547 68 A N -0.371 122.506 122.820 0.094 0.000 2.278 68 A HA 0.493 4.813 4.320 0.000 0.000 0.212 68 A C 1.893 179.522 177.584 0.074 0.000 1.213 68 A CA 1.153 53.268 52.037 0.130 0.000 0.840 68 A CB -0.449 18.701 19.000 0.252 0.000 0.866 68 A HN 1.522 nan 8.150 nan 0.000 0.489 69 G N -2.131 106.711 108.800 0.069 0.000 2.157 69 G HA2 -0.278 3.682 3.960 0.000 0.000 0.248 69 G HA3 -0.278 3.682 3.960 0.000 0.000 0.248 69 G C -0.053 174.799 174.900 -0.081 0.000 0.979 69 G CA 0.171 45.265 45.100 -0.011 0.000 0.650 69 G HN 0.415 nan 8.290 nan 0.000 0.529 70 Y N 0.525 120.819 120.300 -0.010 0.000 2.346 70 Y HA 0.427 4.977 4.550 0.000 0.000 0.330 70 Y C 1.112 176.997 175.900 -0.026 0.000 1.178 70 Y CA -0.033 58.056 58.100 -0.017 0.000 1.331 70 Y CB 0.776 39.221 38.460 -0.026 0.000 1.253 70 Y HN 0.073 nan 8.280 nan 0.000 0.529 71 K N 3.131 123.598 120.400 0.112 0.000 2.292 71 K HA 0.374 4.694 4.320 0.000 0.000 0.290 71 K C -1.505 175.188 176.600 0.155 0.000 1.083 71 K CA -0.133 56.197 56.287 0.071 0.000 0.918 71 K CB 0.029 32.539 32.500 0.017 0.000 1.089 71 K HN 0.495 nan 8.250 nan 0.000 0.473 72 V N 3.300 123.289 119.914 0.125 0.000 2.459 72 V HA 0.545 4.665 4.120 0.000 0.000 0.295 72 V C -0.238 175.750 176.094 -0.177 0.000 1.029 72 V CA -0.938 61.393 62.300 0.051 0.000 0.874 72 V CB 1.408 33.312 31.823 0.134 0.000 0.985 72 V HN 0.869 nan 8.190 nan 0.000 0.438 73 A N 5.866 128.430 122.820 -0.427 0.000 2.330 73 A HA 0.918 5.238 4.320 0.000 0.000 0.327 73 A C -0.623 176.621 177.584 -0.565 0.000 1.155 73 A CA -0.602 50.950 52.037 -0.809 0.000 0.803 73 A CB 1.445 19.576 19.000 -1.448 0.000 1.208 73 A HN 0.913 nan 8.150 nan 0.000 0.477 74 M N 2.637 121.826 119.600 -0.685 0.000 2.326 74 M HA 0.727 5.207 4.480 0.000 0.000 0.306 74 M C -2.149 173.852 176.300 -0.499 0.000 1.054 74 M CA -0.411 54.685 55.300 -0.340 0.000 0.922 74 M CB 1.066 33.657 32.600 -0.015 0.000 1.632 74 M HN 0.598 nan 8.290 nan 0.000 0.436 75 F N 2.339 122.273 119.950 -0.027 0.000 2.480 75 F HA 0.560 5.087 4.527 0.000 0.000 0.329 75 F C -0.100 175.693 175.800 -0.012 0.000 1.091 75 F CA -0.461 57.543 58.000 0.006 0.000 0.972 75 F CB 1.484 40.468 39.000 -0.027 0.000 1.150 75 F HN 0.462 nan 8.300 nan 0.000 0.467 76 D N 2.785 123.277 120.400 0.152 0.000 2.879 76 D HA 0.223 4.863 4.640 0.000 0.000 0.236 76 D C 0.466 176.790 176.300 0.039 0.000 1.171 76 D CA -0.322 53.718 54.000 0.067 0.000 0.868 76 D CB 2.450 43.273 40.800 0.038 0.000 1.598 76 D HN 0.650 nan 8.370 nan 0.000 0.497 77 I N 2.003 122.550 120.570 -0.038 0.000 2.614 77 I HA 0.032 4.202 4.170 0.000 0.000 0.258 77 I C 1.116 177.199 176.117 -0.057 0.000 1.189 77 I CA 0.697 61.937 61.300 -0.099 0.000 1.462 77 I CB 0.160 37.984 38.000 -0.293 0.000 1.092 77 I HN 0.323 nan 8.210 nan 0.000 0.442 78 G N 0.065 108.845 108.800 -0.033 0.000 2.543 78 G HA2 0.382 4.342 3.960 0.000 0.000 0.290 78 G HA3 0.382 4.342 3.960 0.000 0.000 0.290 78 G C -0.816 174.100 174.900 0.025 0.000 1.310 78 G CA -0.414 44.689 45.100 0.004 0.000 1.025 78 G HN 0.318 nan 8.290 nan 0.000 0.502 79 E N -1.445 118.774 120.200 0.032 0.000 2.339 79 E HA 0.380 4.730 4.350 0.000 0.000 0.262 79 E C -0.544 176.075 176.600 0.033 0.000 0.934 79 E CA -0.781 55.639 56.400 0.034 0.000 0.802 79 E CB 2.515 32.238 29.700 0.038 0.000 1.275 79 E HN 0.268 nan 8.360 nan 0.000 0.427 80 I N 2.546 123.134 120.570 0.030 0.000 2.517 80 I HA 0.015 4.185 4.170 0.000 0.000 0.285 80 I C -0.221 175.920 176.117 0.040 0.000 1.106 80 I CA 0.611 61.931 61.300 0.032 0.000 1.402 80 I CB 0.139 38.154 38.000 0.024 0.000 1.399 80 I HN 0.528 nan 8.210 nan 0.000 0.535 81 D N 2.747 123.176 120.400 0.048 0.000 3.279 81 D HA 0.040 4.680 4.640 0.000 0.000 0.336 81 D C -0.192 176.156 176.300 0.080 0.000 1.512 81 D CA -0.327 53.709 54.000 0.059 0.000 0.754 81 D CB -0.055 40.777 40.800 0.054 0.000 1.278 81 D HN 0.220 nan 8.370 nan 0.000 0.553 82 S N -0.105 115.645 115.700 0.083 0.000 2.741 82 S HA 0.633 5.103 4.470 0.000 0.000 0.247 82 S C 0.914 175.579 174.600 0.109 0.000 1.050 82 S CA -0.036 58.231 58.200 0.112 0.000 1.025 82 S CB 0.868 64.135 63.200 0.112 0.000 0.897 82 S HN 0.869 nan 8.310 nan 0.000 0.508 83 G N 1.728 110.581 108.800 0.089 0.000 2.584 83 G HA2 -0.247 3.713 3.960 0.000 0.000 0.229 83 G HA3 -0.247 3.713 3.960 0.000 0.000 0.229 83 G C 0.393 175.327 174.900 0.056 0.000 1.320 83 G CA -0.152 44.994 45.100 0.076 0.000 0.891 83 G HN 0.322 nan 8.290 nan 0.000 0.573 84 L N 0.317 121.568 121.223 0.048 0.000 2.201 84 L HA 0.084 4.424 4.340 0.000 0.000 0.212 84 L C 1.515 178.399 176.870 0.023 0.000 1.105 84 L CA 1.201 56.058 54.840 0.029 0.000 0.775 84 L CB -0.371 41.702 42.059 0.023 0.000 0.913 84 L HN 0.319 nan 8.230 nan 0.000 0.440 85 K N 1.702 122.125 120.400 0.040 0.000 2.250 85 K HA 0.340 4.660 4.320 0.000 0.000 0.285 85 K C -0.368 176.257 176.600 0.040 0.000 1.097 85 K CA -0.220 56.087 56.287 0.034 0.000 0.913 85 K CB 0.839 33.374 32.500 0.058 0.000 1.179 85 K HN 0.080 nan 8.250 nan 0.000 0.462 86 I N 1.891 122.470 120.570 0.015 0.000 2.598 86 I HA -0.030 4.140 4.170 0.000 0.000 0.284 86 I C 1.339 177.476 176.117 0.034 0.000 1.140 86 I CA 0.674 61.987 61.300 0.022 0.000 1.420 86 I CB 0.469 38.473 38.000 0.007 0.000 1.387 86 I HN 0.946 nan 8.210 nan 0.000 0.553 87 G N 4.271 113.101 108.800 0.051 0.000 2.153 87 G HA2 -0.197 3.763 3.960 0.000 0.000 0.252 87 G HA3 -0.197 3.763 3.960 0.000 0.000 0.252 87 G C 0.286 175.236 174.900 0.084 0.000 0.994 87 G CA 0.084 45.219 45.100 0.058 0.000 0.698 87 G HN 0.969 nan 8.290 nan 0.000 0.521 88 A N -0.476 122.408 122.820 0.105 0.000 2.257 88 A HA 0.642 4.962 4.320 0.000 0.000 0.289 88 A C 0.557 178.258 177.584 0.194 0.000 1.095 88 A CA -0.370 51.764 52.037 0.163 0.000 0.836 88 A CB 0.329 19.428 19.000 0.164 0.000 1.111 88 A HN 0.610 nan 8.150 nan 0.000 0.497 89 H N 0.530 119.735 119.070 0.226 0.000 2.929 89 H HA 0.093 4.649 4.556 0.000 0.000 0.317 89 H C 0.708 176.158 175.328 0.202 0.000 1.031 89 H CA 0.750 56.944 56.048 0.243 0.000 1.466 89 H CB 0.783 30.711 29.762 0.276 0.000 1.482 89 H HN 0.658 nan 8.280 nan 0.000 0.561 90 K N 3.585 124.183 120.400 0.330 0.000 2.439 90 K HA -0.089 4.231 4.320 0.000 0.000 0.197 90 K C 1.638 178.467 176.600 0.382 0.000 1.041 90 K CA 0.496 57.023 56.287 0.401 0.000 0.970 90 K CB 0.377 33.123 32.500 0.409 0.000 0.773 90 K HN 0.407 nan 8.250 nan 0.000 0.479 91 K N 0.917 121.416 120.400 0.164 0.000 2.486 91 K HA -0.002 4.318 4.320 0.000 0.000 0.194 91 K C 0.943 177.544 176.600 0.000 0.000 1.033 91 K CA 0.467 56.519 56.287 -0.393 0.000 1.004 91 K CB 0.237 32.095 32.500 -1.069 0.000 0.798 91 K HN 0.022 nan 8.250 nan 0.000 0.495 92 N N 0.949 119.757 118.700 0.180 0.000 2.461 92 N HA -0.059 4.681 4.740 0.000 0.000 0.188 92 N C -0.001 175.698 175.510 0.314 0.000 1.134 92 N CA 0.572 53.736 53.050 0.190 0.000 0.878 92 N CB 0.095 38.760 38.487 0.296 0.000 0.972 92 N HN 0.310 nan 8.380 nan 0.000 0.456 93 T N -2.515 112.228 114.554 0.315 0.000 2.898 93 T HA 0.160 4.510 4.350 0.000 0.000 0.301 93 T C 1.793 176.658 174.700 0.276 0.000 1.049 93 T CA -0.623 61.654 62.100 0.296 0.000 1.095 93 T CB 1.270 70.292 68.868 0.256 0.000 0.976 93 T HN -0.200 nan 8.240 nan 0.000 0.539 94 V N 1.646 121.715 119.914 0.258 0.000 2.392 94 V HA -0.124 3.996 4.120 0.000 0.000 0.249 94 V C 2.922 179.080 176.094 0.108 0.000 1.059 94 V CA 1.796 64.232 62.300 0.227 0.000 1.051 94 V CB -0.878 31.041 31.823 0.160 0.000 0.658 94 V HN 0.874 nan 8.190 nan 0.000 0.455 95 E N -0.380 119.832 120.200 0.020 0.000 2.085 95 E HA -0.221 4.129 4.350 0.000 0.000 0.194 95 E C 2.114 178.651 176.600 -0.105 0.000 0.994 95 E CA 1.696 58.035 56.400 -0.102 0.000 0.801 95 E CB -0.292 29.252 29.700 -0.261 0.000 0.743 95 E HN 0.743 nan 8.360 nan 0.000 0.453 96 Y N 0.952 121.312 120.300 0.099 0.000 2.457 96 Y HA -0.022 4.528 4.550 0.000 0.000 0.292 96 Y C 2.402 178.310 175.900 0.013 0.000 1.125 96 Y CA 0.550 58.699 58.100 0.081 0.000 1.254 96 Y CB -0.012 38.510 38.460 0.104 0.000 1.012 96 Y HN 0.007 nan 8.280 nan 0.000 0.555 97 Q N 0.295 120.165 119.800 0.117 0.000 2.230 97 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 97 Q C 1.569 177.607 176.000 0.063 0.000 0.963 97 Q CA 1.107 56.919 55.803 0.015 0.000 0.866 97 Q CB -0.052 28.625 28.738 -0.103 0.000 0.931 97 Q HN 0.482 nan 8.270 nan 0.000 0.452 98 K N 0.135 120.582 120.400 0.079 0.000 2.379 98 K HA 0.073 4.393 4.320 0.000 0.000 0.194 98 K C 0.186 176.827 176.600 0.069 0.000 1.031 98 K CA 0.200 56.526 56.287 0.065 0.000 1.037 98 K CB 0.564 33.093 32.500 0.049 0.000 0.824 98 K HN 0.042 nan 8.250 nan 0.000 0.516 99 N N 1.012 119.773 118.700 0.102 0.000 2.673 99 N HA 0.053 4.793 4.740 0.000 0.000 0.265 99 N C 0.203 175.844 175.510 0.217 0.000 1.709 99 N CA 0.019 53.144 53.050 0.125 0.000 0.792 99 N CB 0.769 39.310 38.487 0.091 0.000 1.286 99 N HN 0.051 nan 8.380 nan 0.000 0.506 100 I N 0.060 120.741 120.570 0.184 0.000 2.264 100 I HA -0.232 3.938 4.170 0.000 0.000 0.248 100 I C 0.881 177.135 176.117 0.229 0.000 1.111 100 I CA 1.635 63.049 61.300 0.190 0.000 1.382 100 I CB 0.416 38.476 38.000 0.100 0.000 1.060 100 I HN 0.038 nan 8.210 nan 0.000 0.418 101 D N 1.164 121.694 120.400 0.217 0.000 2.218 101 D HA -0.158 4.482 4.640 0.000 0.000 0.204 101 D C 1.998 178.414 176.300 0.194 0.000 0.976 101 D CA 0.711 54.841 54.000 0.215 0.000 0.853 101 D CB -0.171 40.788 40.800 0.265 0.000 0.939 101 D HN 0.325 nan 8.370 nan 0.000 0.481 102 K N 0.167 120.715 120.400 0.248 0.000 2.281 102 K HA -0.129 4.191 4.320 0.000 0.000 0.203 102 K C 1.806 178.571 176.600 0.275 0.000 1.046 102 K CA 0.137 56.588 56.287 0.273 0.000 0.938 102 K CB -0.453 32.245 32.500 0.330 0.000 0.737 102 K HN 0.225 nan 8.250 nan 0.000 0.458 103 F N 1.739 121.726 119.950 0.061 0.000 2.333 103 F HA -0.191 4.336 4.527 0.000 0.000 0.300 103 F C 1.987 177.695 175.800 -0.153 0.000 1.083 103 F CA 0.776 58.623 58.000 -0.256 0.000 1.395 103 F CB -0.216 38.581 39.000 -0.339 0.000 1.056 103 F HN -0.150 nan 8.300 nan 0.000 0.529 104 V N -1.475 118.386 119.914 -0.088 0.000 2.469 104 V HA -0.315 3.805 4.120 0.000 0.000 0.251 104 V C 1.840 177.795 176.094 -0.231 0.000 1.064 104 V CA 2.417 64.616 62.300 -0.167 0.000 1.066 104 V CB -1.401 30.337 31.823 -0.141 0.000 0.667 104 V HN 0.355 nan 8.190 nan 0.000 0.461 105 N N 0.924 119.515 118.700 -0.182 0.000 2.166 105 N HA -0.113 4.627 4.740 0.000 0.000 0.186 105 N C 1.695 177.058 175.510 -0.244 0.000 1.019 105 N CA 1.690 54.647 53.050 -0.156 0.000 0.856 105 N CB -0.479 37.977 38.487 -0.051 0.000 0.993 105 N HN 0.445 nan 8.380 nan 0.000 0.426 106 V N 1.242 120.878 119.914 -0.462 0.000 2.295 106 V HA -0.213 3.907 4.120 0.000 0.000 0.246 106 V C 2.035 177.846 176.094 -0.471 0.000 1.049 106 V CA 1.454 63.421 62.300 -0.555 0.000 1.024 106 V CB -0.522 30.661 31.823 -1.066 0.000 0.648 106 V HN 0.307 nan 8.190 nan 0.000 0.447 107 I N -0.334 119.905 120.570 -0.552 0.000 2.142 107 I HA -0.319 3.851 4.170 0.000 0.000 0.240 107 I C 2.707 178.717 176.117 -0.177 0.000 1.078 107 I CA 1.748 62.869 61.300 -0.298 0.000 1.343 107 I CB -0.455 37.413 38.000 -0.220 0.000 1.046 107 I HN 0.342 nan 8.210 nan 0.000 0.405 108 Q N 0.466 120.162 119.800 -0.174 0.000 2.124 108 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 108 Q C 2.357 178.304 176.000 -0.089 0.000 0.977 108 Q CA 1.538 57.272 55.803 -0.116 0.000 0.850 108 Q CB -0.419 28.249 28.738 -0.117 0.000 0.901 108 Q HN 0.655 nan 8.270 nan 0.000 0.429 109 G N 1.361 110.100 108.800 -0.102 0.000 2.422 109 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 109 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 109 G C 1.270 176.144 174.900 -0.044 0.000 1.140 109 G CA 0.850 45.910 45.100 -0.065 0.000 0.775 109 G HN 0.467 nan 8.290 nan 0.000 0.545 110 Q N -0.619 119.147 119.800 -0.056 0.000 2.402 110 Q HA 0.310 4.650 4.340 0.000 0.000 0.206 110 Q C 0.732 176.732 176.000 -0.001 0.000 0.919 110 Q CA -0.141 55.649 55.803 -0.022 0.000 0.923 110 Q CB 0.037 28.761 28.738 -0.024 0.000 1.048 110 Q HN 0.301 nan 8.270 nan 0.000 0.515 111 L N 2.015 123.230 121.223 -0.013 0.000 2.290 111 L HA 0.309 4.649 4.340 0.000 0.000 0.284 111 L C -0.568 176.312 176.870 0.018 0.000 1.078 111 L CA -0.500 54.344 54.840 0.007 0.000 0.815 111 L CB 0.982 43.036 42.059 -0.008 0.000 1.162 111 L HN 0.164 nan 8.230 nan 0.000 0.435 112 M N 2.534 122.160 119.600 0.044 0.000 2.125 112 M HA 0.275 4.755 4.480 0.000 0.000 0.321 112 M C -0.070 176.264 176.300 0.057 0.000 0.983 112 M CA -0.771 54.562 55.300 0.055 0.000 0.934 112 M CB 1.475 34.130 32.600 0.092 0.000 1.542 112 M HN 0.332 nan 8.290 nan 0.000 0.424 113 S N 1.831 117.553 115.700 0.038 0.000 2.558 113 S HA 0.123 4.593 4.470 0.000 0.000 0.293 113 S C 1.586 176.218 174.600 0.052 0.000 1.292 113 S CA -0.454 57.767 58.200 0.036 0.000 1.063 113 S CB 0.518 63.727 63.200 0.016 0.000 0.831 113 S HN 0.563 nan 8.310 nan 0.000 0.499 114 V N 2.475 122.431 119.914 0.070 0.000 2.323 114 V HA 0.011 4.131 4.120 0.000 0.000 0.244 114 V C 1.203 177.295 176.094 -0.002 0.000 1.041 114 V CA 1.411 63.743 62.300 0.053 0.000 1.025 114 V CB 0.053 31.944 31.823 0.114 0.000 0.656 114 V HN 0.791 nan 8.190 nan 0.000 0.451 115 S N -0.438 115.282 115.700 0.032 0.000 2.776 115 S HA 0.523 4.993 4.470 0.000 0.000 0.284 115 S C -1.113 173.488 174.600 0.001 0.000 1.160 115 S CA -0.458 57.726 58.200 -0.026 0.000 1.051 115 S CB 1.447 64.601 63.200 -0.077 0.000 1.037 115 S HN 0.008 nan 8.310 nan 0.000 0.485 116 V N 7.917 127.819 119.914 -0.019 0.000 2.347 116 V HA 0.545 4.665 4.120 0.000 0.000 0.280 116 V C -1.934 174.141 176.094 -0.031 0.000 1.021 116 V CA -1.781 60.507 62.300 -0.020 0.000 0.847 116 V CB 1.392 33.204 31.823 -0.019 0.000 0.990 116 V HN 0.699 nan 8.190 nan 0.000 0.444 117 P HA 0.184 nan 4.420 nan 0.000 0.274 117 P C -0.158 177.116 177.300 -0.042 0.000 1.246 117 P CA -0.156 62.924 63.100 -0.034 0.000 0.795 117 P CB 1.004 32.685 31.700 -0.032 0.000 1.006 118 V N 2.254 122.146 119.914 -0.037 0.000 2.673 118 V HA -0.030 4.090 4.120 0.000 0.000 0.303 118 V C 1.255 177.299 176.094 -0.082 0.000 1.046 118 V CA 0.213 62.487 62.300 -0.044 0.000 1.126 118 V CB -0.585 31.232 31.823 -0.011 0.000 0.934 118 V HN 0.626 nan 8.190 nan 0.000 0.487 119 N N 3.368 122.012 118.700 -0.094 0.000 2.488 119 N HA 0.127 4.867 4.740 0.000 0.000 0.274 119 N C 0.565 175.915 175.510 -0.267 0.000 1.111 119 N CA 0.338 53.306 53.050 -0.136 0.000 0.974 119 N CB 1.641 40.076 38.487 -0.087 0.000 1.089 119 N HN 0.864 nan 8.380 nan 0.000 0.465 120 T N 0.691 114.963 114.554 -0.470 0.000 3.200 120 T HA 0.280 4.630 4.350 0.000 0.000 0.284 120 T C 0.735 174.922 174.700 -0.855 0.000 1.009 120 T CA -0.389 61.032 62.100 -1.133 0.000 0.907 120 T CB -0.421 67.934 68.868 -0.855 0.000 1.120 120 T HN 0.265 nan 8.240 nan 0.000 0.534 121 L N 1.999 123.011 121.223 -0.352 0.000 2.416 121 L HA 0.405 4.745 4.340 0.000 0.000 0.272 121 L C 0.058 176.960 176.870 0.052 0.000 1.161 121 L CA -0.776 53.986 54.840 -0.129 0.000 0.845 121 L CB 0.988 43.011 42.059 -0.060 0.000 1.119 121 L HN 0.040 nan 8.230 nan 0.000 0.464 122 V N 4.687 124.657 119.914 0.094 0.000 2.385 122 V HA 0.169 4.289 4.120 0.000 0.000 0.269 122 V C 0.152 176.315 176.094 0.115 0.000 1.043 122 V CA -0.473 61.945 62.300 0.196 0.000 0.906 122 V CB 1.428 33.346 31.823 0.159 0.000 0.995 122 V HN 0.403 nan 8.190 nan 0.000 0.467 123 V N 5.556 125.541 119.914 0.117 0.000 2.328 123 V HA 0.352 4.472 4.120 0.000 0.000 0.278 123 V C 0.308 176.433 176.094 0.052 0.000 1.021 123 V CA -0.384 61.959 62.300 0.071 0.000 0.838 123 V CB 1.403 33.268 31.823 0.069 0.000 0.999 123 V HN 1.062 nan 8.190 nan 0.000 0.447 124 D N 2.113 122.536 120.400 0.038 0.000 2.571 124 D HA 0.008 4.648 4.640 0.000 0.000 0.239 124 D C 1.052 177.362 176.300 0.016 0.000 1.267 124 D CA 0.239 54.252 54.000 0.022 0.000 0.823 124 D CB 0.414 41.227 40.800 0.022 0.000 1.056 124 D HN 0.551 nan 8.370 nan 0.000 0.494 125 T N -1.737 112.829 114.554 0.020 0.000 3.228 125 T HA 0.345 4.695 4.350 0.000 0.000 0.278 125 T C 0.680 175.391 174.700 0.019 0.000 1.014 125 T CA -0.531 61.580 62.100 0.017 0.000 0.904 125 T CB -0.247 68.631 68.868 0.017 0.000 1.110 125 T HN 0.006 nan 8.240 nan 0.000 0.541 126 L N 1.960 123.196 121.223 0.021 0.000 2.467 126 L HA 0.302 4.642 4.340 0.000 0.000 0.270 126 L C 1.138 178.019 176.870 0.018 0.000 1.205 126 L CA -0.484 54.371 54.840 0.025 0.000 0.828 126 L CB 0.460 42.538 42.059 0.031 0.000 1.101 126 L HN 0.236 nan 8.230 nan 0.000 0.479 127 S N 1.930 117.644 115.700 0.023 0.000 2.558 127 S HA 0.075 4.545 4.470 0.000 0.000 0.288 127 S C -1.435 173.173 174.600 0.014 0.000 1.318 127 S CA -1.024 57.187 58.200 0.019 0.000 1.056 127 S CB 0.719 63.934 63.200 0.025 0.000 0.853 127 S HN 0.394 nan 8.310 nan 0.000 0.505 128 P HA -0.059 nan 4.420 nan 0.000 0.223 128 P C 1.311 178.614 177.300 0.005 0.000 1.144 128 P CA 1.142 64.241 63.100 -0.002 0.000 0.783 128 P CB -0.207 31.490 31.700 -0.004 0.000 0.771 129 T N -5.578 108.988 114.554 0.019 0.000 3.067 129 T HA 0.084 4.434 4.350 0.000 0.000 0.261 129 T C 1.017 175.752 174.700 0.058 0.000 1.110 129 T CA 0.102 62.222 62.100 0.033 0.000 1.113 129 T CB -0.588 68.300 68.868 0.032 0.000 0.917 129 T HN -0.100 nan 8.240 nan 0.000 0.499 130 S N 1.425 117.163 115.700 0.062 0.000 2.565 130 S HA 0.313 4.783 4.470 0.000 0.000 0.276 130 S C -0.586 174.098 174.600 0.141 0.000 1.326 130 S CA -1.002 57.262 58.200 0.107 0.000 1.045 130 S CB 0.204 63.460 63.200 0.094 0.000 0.918 130 S HN 0.599 nan 8.310 nan 0.000 0.505 131 W N 3.018 124.325 121.300 0.011 0.000 2.216 131 W HA 0.243 4.903 4.660 0.000 0.000 0.326 131 W C -0.089 176.442 176.519 0.020 0.000 1.319 131 W CA 0.202 57.552 57.345 0.009 0.000 1.213 131 W CB 0.422 29.887 29.460 0.008 0.000 1.171 131 W HN 0.370 nan 8.180 nan 0.000 0.557 132 Q N 4.322 123.718 119.800 -0.673 0.000 2.284 132 Q HA 0.448 4.788 4.340 0.000 0.000 0.269 132 Q C -0.508 174.732 176.000 -1.265 0.000 1.026 132 Q CA -0.714 54.688 55.803 -0.668 0.000 0.831 132 Q CB 1.862 30.429 28.738 -0.285 0.000 1.322 132 Q HN 0.632 nan 8.270 nan 0.000 0.419 133 A N 1.174 123.425 122.820 -0.948 0.000 2.366 133 A HA 0.362 4.682 4.320 0.000 0.000 0.249 133 A C 0.646 178.036 177.584 -0.324 0.000 1.084 133 A CA -0.009 51.701 52.037 -0.544 0.000 0.794 133 A CB 0.371 19.407 19.000 0.060 0.000 1.034 133 A HN 0.694 nan 8.150 nan 0.000 0.491 134 S N -0.383 115.167 115.700 -0.250 0.000 2.605 134 S HA 0.176 4.646 4.470 0.000 0.000 0.217 134 S C 0.585 175.069 174.600 -0.193 0.000 0.958 134 S CA 0.567 58.639 58.200 -0.212 0.000 0.919 134 S CB -0.406 62.695 63.200 -0.166 0.000 0.780 134 S HN 1.107 nan 8.310 nan 0.000 0.507 135 T N -1.549 112.918 114.554 -0.144 0.000 2.883 135 T HA 0.641 4.991 4.350 0.000 0.000 0.296 135 T C -0.864 173.763 174.700 -0.120 0.000 1.117 135 T CA -0.768 61.261 62.100 -0.120 0.000 1.006 135 T CB 0.701 69.601 68.868 0.054 0.000 1.191 135 T HN -0.076 nan 8.240 nan 0.000 0.508 136 F N 3.050 123.067 119.950 0.113 0.000 2.605 136 F HA 0.384 4.911 4.527 0.000 0.000 0.352 136 F C 0.456 176.286 175.800 0.050 0.000 1.236 136 F CA -1.794 56.228 58.000 0.037 0.000 1.267 136 F CB -0.920 38.080 39.000 -0.001 0.000 1.632 136 F HN 0.571 nan 8.300 nan 0.000 0.639 137 F N -0.765 119.279 119.950 0.155 0.000 2.399 137 F HA 0.551 5.078 4.527 0.000 0.000 0.313 137 F C -0.031 175.839 175.800 0.117 0.000 1.202 137 F CA -1.550 56.522 58.000 0.119 0.000 1.192 137 F CB -0.084 38.977 39.000 0.101 0.000 1.256 137 F HN -0.164 nan 8.300 nan 0.000 0.558 138 V N 2.939 122.972 119.914 0.199 0.000 2.446 138 V HA 0.256 4.376 4.120 0.000 0.000 0.276 138 V C 0.176 176.278 176.094 0.013 0.000 1.030 138 V CA 0.058 62.402 62.300 0.074 0.000 1.033 138 V CB -0.519 31.376 31.823 0.120 0.000 0.993 138 V HN 0.744 nan 8.190 nan 0.000 0.477 139 R N 3.805 124.218 120.500 -0.144 0.000 2.725 139 R HA 0.445 4.785 4.340 0.000 0.000 0.277 139 R C 0.063 176.315 176.300 -0.079 0.000 0.987 139 R CA -0.884 55.091 56.100 -0.209 0.000 0.901 139 R CB 1.399 31.432 30.300 -0.444 0.000 1.207 139 R HN 0.712 nan 8.270 nan 0.000 0.463 140 N N 0.792 119.473 118.700 -0.032 0.000 2.725 140 N HA -0.191 4.549 4.740 0.000 0.000 0.249 140 N C 0.452 175.953 175.510 -0.015 0.000 1.103 140 N CA 1.572 54.609 53.050 -0.022 0.000 0.707 140 N CB -1.158 37.309 38.487 -0.034 0.000 1.043 140 N HN 1.072 nan 8.380 nan 0.000 0.553 141 G N -1.834 106.963 108.800 -0.005 0.000 2.159 141 G HA2 -0.319 3.641 3.960 0.000 0.000 0.256 141 G HA3 -0.319 3.641 3.960 0.000 0.000 0.256 141 G C 0.245 175.141 174.900 -0.006 0.000 0.977 141 G CA 0.894 45.994 45.100 -0.000 0.000 0.652 141 G HN 1.336 nan 8.290 nan 0.000 0.531 142 S N -0.548 115.142 115.700 -0.016 0.000 2.593 142 S HA 0.513 4.983 4.470 0.000 0.000 0.269 142 S C 0.096 174.687 174.600 -0.016 0.000 1.334 142 S CA -0.018 58.169 58.200 -0.023 0.000 1.015 142 S CB 1.832 65.010 63.200 -0.037 0.000 0.912 142 S HN 0.582 nan 8.310 nan 0.000 0.541 143 N N 2.227 120.910 118.700 -0.028 0.000 2.527 143 N HA 0.358 5.098 4.740 0.000 0.000 0.236 143 N C -1.698 173.796 175.510 -0.028 0.000 0.999 143 N CA -2.524 50.502 53.050 -0.041 0.000 0.935 143 N CB 1.160 39.595 38.487 -0.087 0.000 1.132 143 N HN 0.393 nan 8.380 nan 0.000 0.511 144 P HA -0.043 nan 4.420 nan 0.000 0.234 144 P C 0.282 177.603 177.300 0.034 0.000 1.167 144 P CA 0.782 63.898 63.100 0.026 0.000 0.763 144 P CB 0.589 32.320 31.700 0.052 0.000 0.835 145 E N -0.170 120.036 120.200 0.010 0.000 2.285 145 E HA -0.084 4.266 4.350 0.000 0.000 0.194 145 E C 0.919 177.524 176.600 0.008 0.000 0.997 145 E CA 0.543 56.967 56.400 0.040 0.000 0.845 145 E CB -0.114 29.551 29.700 -0.059 0.000 0.782 145 E HN 0.304 nan 8.360 nan 0.000 0.491 146 Q N 2.247 122.015 119.800 -0.053 0.000 2.295 146 Q HA 0.024 4.364 4.340 0.000 0.000 0.259 146 Q C -0.804 175.201 176.000 0.007 0.000 0.976 146 Q CA -0.145 55.626 55.803 -0.053 0.000 0.923 146 Q CB 0.749 29.443 28.738 -0.074 0.000 1.185 146 Q HN -0.195 nan 8.270 nan 0.000 0.410 147 D N 6.037 126.460 120.400 0.039 0.000 2.358 147 D HA 0.065 4.705 4.640 0.000 0.000 0.258 147 D C -1.683 174.630 176.300 0.023 0.000 1.223 147 D CA -1.906 52.119 54.000 0.041 0.000 0.886 147 D CB 1.284 42.122 40.800 0.063 0.000 1.120 147 D HN 0.435 nan 8.370 nan 0.000 0.482 148 P HA -0.095 nan 4.420 nan 0.000 0.222 148 P C 1.245 178.546 177.300 0.000 0.000 1.147 148 P CA 0.729 63.825 63.100 -0.006 0.000 0.790 148 P CB 0.348 32.033 31.700 -0.025 0.000 0.780 149 L N -1.279 119.948 121.223 0.008 0.000 2.607 149 L HA 0.185 4.525 4.340 0.000 0.000 0.228 149 L C 1.453 178.335 176.870 0.020 0.000 1.123 149 L CA 0.204 55.049 54.840 0.009 0.000 0.890 149 L CB -0.116 41.945 42.059 0.003 0.000 1.103 149 L HN -0.170 nan 8.230 nan 0.000 0.468 150 R N -0.127 120.394 120.500 0.035 0.000 2.734 150 R HA 0.219 4.559 4.340 0.000 0.000 0.395 150 R C -0.458 175.895 176.300 0.089 0.000 1.096 150 R CA -0.267 55.866 56.100 0.055 0.000 1.071 150 R CB 0.327 30.662 30.300 0.060 0.000 1.348 150 R HN 0.041 nan 8.270 nan 0.000 0.600 151 N N 0.583 119.313 118.700 0.049 0.000 2.483 151 N HA 0.386 5.126 4.740 0.000 0.000 0.285 151 N C -0.735 174.689 175.510 -0.144 0.000 1.210 151 N CA -0.653 52.408 53.050 0.018 0.000 0.931 151 N CB 1.230 39.725 38.487 0.013 0.000 1.220 151 N HN 0.092 nan 8.380 nan 0.000 0.542 152 L N 2.017 122.994 121.223 -0.410 0.000 2.494 152 L HA 0.224 4.564 4.340 0.000 0.000 0.251 152 L C 1.364 178.040 176.870 -0.324 0.000 1.119 152 L CA -0.285 54.189 54.840 -0.610 0.000 1.026 152 L CB 0.496 41.794 42.059 -1.268 0.000 1.370 152 L HN 0.641 nan 8.230 nan 0.000 0.426 153 S N -0.340 115.268 115.700 -0.153 0.000 2.419 153 S HA -0.116 4.354 4.470 0.000 0.000 0.233 153 S C 1.821 176.380 174.600 -0.068 0.000 1.016 153 S CA 0.969 59.128 58.200 -0.070 0.000 0.974 153 S CB -0.190 62.984 63.200 -0.043 0.000 0.786 153 S HN 0.636 nan 8.310 nan 0.000 0.492 154 G N 0.539 109.283 108.800 -0.094 0.000 2.650 154 G HA2 0.054 4.014 3.960 0.000 0.000 0.214 154 G HA3 0.054 4.014 3.960 0.000 0.000 0.214 154 G C 0.609 175.467 174.900 -0.071 0.000 1.136 154 G CA -0.221 44.835 45.100 -0.073 0.000 0.789 154 G HN 0.364 nan 8.290 nan 0.000 0.536 155 Q N 0.670 120.405 119.800 -0.110 0.000 2.300 155 Q HA 0.488 4.828 4.340 0.000 0.000 0.280 155 Q C -0.058 175.957 176.000 0.026 0.000 1.033 155 Q CA 0.282 56.049 55.803 -0.061 0.000 0.903 155 Q CB 1.288 29.956 28.738 -0.118 0.000 1.195 155 Q HN 0.301 nan 8.270 nan 0.000 0.386 156 A N 2.155 124.997 122.820 0.036 0.000 2.593 156 A HA 0.764 5.084 4.320 0.000 0.000 0.290 156 A C -1.073 176.550 177.584 0.065 0.000 1.126 156 A CA -0.544 51.523 52.037 0.050 0.000 0.695 156 A CB 1.409 20.426 19.000 0.028 0.000 1.290 156 A HN 0.475 nan 8.150 nan 0.000 0.414 157 V N -2.052 117.912 119.914 0.085 0.000 2.823 157 V HA 0.907 5.027 4.120 0.000 0.000 0.312 157 V C -0.417 175.741 176.094 0.105 0.000 1.072 157 V CA -0.482 61.888 62.300 0.117 0.000 0.937 157 V CB 1.460 33.409 31.823 0.210 0.000 1.013 157 V HN 0.861 nan 8.190 nan 0.000 0.430 158 T N 3.308 117.918 114.554 0.092 0.000 2.823 158 T HA 0.608 4.958 4.350 0.000 0.000 0.279 158 T C -0.231 174.498 174.700 0.049 0.000 0.998 158 T CA -0.503 61.633 62.100 0.060 0.000 0.994 158 T CB 1.205 70.098 68.868 0.041 0.000 0.960 158 T HN 0.764 nan 8.240 nan 0.000 0.448 159 R N 2.362 122.880 120.500 0.030 0.000 2.402 159 R HA 0.579 4.919 4.340 0.000 0.000 0.290 159 R C -0.908 175.398 176.300 0.009 0.000 1.321 159 R CA -0.550 55.545 56.100 -0.008 0.000 1.283 159 R CB 0.853 31.121 30.300 -0.053 0.000 1.111 159 R HN 0.526 nan 8.270 nan 0.000 0.578 160 V N -1.752 118.169 119.914 0.011 0.000 3.120 160 V HA 0.446 4.566 4.120 0.000 0.000 0.303 160 V C -0.128 175.978 176.094 0.020 0.000 1.238 160 V CA -1.122 61.190 62.300 0.020 0.000 1.008 160 V CB 1.977 33.814 31.823 0.024 0.000 1.064 160 V HN 0.112 nan 8.190 nan 0.000 0.434 161 V N 3.595 123.524 119.914 0.026 0.000 2.540 161 V HA 0.504 4.624 4.120 0.000 0.000 0.297 161 V C 1.747 177.860 176.094 0.032 0.000 1.024 161 V CA 1.921 64.240 62.300 0.031 0.000 1.105 161 V CB 0.123 31.967 31.823 0.035 0.000 0.938 161 V HN 2.133 nan 8.190 nan 0.000 0.482 162 G N 3.291 112.108 108.800 0.030 0.000 2.195 162 G HA2 -0.016 3.944 3.960 0.000 0.000 0.246 162 G HA3 -0.016 3.944 3.960 0.000 0.000 0.246 162 G C 1.006 175.899 174.900 -0.011 0.000 0.984 162 G CA 0.287 45.397 45.100 0.018 0.000 0.633 162 G HN 2.143 nan 8.290 nan 0.000 0.525 163 G N 0.001 108.800 108.800 -0.002 0.000 2.581 163 G HA2 -0.257 3.703 3.960 0.000 0.000 0.291 163 G HA3 -0.257 3.703 3.960 0.000 0.000 0.291 163 G C 1.148 176.034 174.900 -0.022 0.000 1.277 163 G CA 1.162 46.258 45.100 -0.006 0.000 0.959 163 G HN 1.100 nan 8.290 nan 0.000 0.554 164 M N 1.486 121.069 119.600 -0.027 0.000 2.549 164 M HA -0.028 4.452 4.480 0.000 0.000 0.260 164 M C 2.696 178.951 176.300 -0.076 0.000 1.076 164 M CA 1.797 57.088 55.300 -0.014 0.000 1.090 164 M CB -0.247 32.371 32.600 0.029 0.000 1.418 164 M HN 0.727 nan 8.290 nan 0.000 0.486 165 S N -0.705 114.853 115.700 -0.237 0.000 2.555 165 S HA -0.066 4.404 4.470 0.000 0.000 0.230 165 S C 1.708 176.232 174.600 -0.126 0.000 0.978 165 S CA 1.123 59.035 58.200 -0.481 0.000 0.934 165 S CB -0.956 61.924 63.200 -0.533 0.000 0.766 165 S HN 0.582 nan 8.310 nan 0.000 0.533 166 T N -2.241 112.256 114.554 -0.094 0.000 3.072 166 T HA 0.425 4.775 4.350 0.000 0.000 0.266 166 T C 1.279 175.826 174.700 -0.254 0.000 1.127 166 T CA 0.609 62.634 62.100 -0.125 0.000 1.107 166 T CB -0.097 68.764 68.868 -0.012 0.000 0.910 166 T HN 0.594 nan 8.240 nan 0.000 0.513 167 A N -0.057 122.717 122.820 -0.078 0.000 2.653 167 A HA 0.418 4.738 4.320 0.000 0.000 0.248 167 A C 0.630 178.454 177.584 0.401 0.000 1.211 167 A CA -0.663 51.499 52.037 0.208 0.000 0.991 167 A CB -0.134 18.947 19.000 0.135 0.000 1.252 167 A HN 0.632 nan 8.150 nan 0.000 0.593 168 W N 0.292 121.628 121.300 0.060 0.000 2.034 168 W HA 0.372 5.032 4.660 -0.000 0.000 0.357 168 W C 0.015 176.621 176.519 0.146 0.000 1.326 168 W CA 0.837 58.257 57.345 0.124 0.000 1.318 168 W CB -0.783 28.728 29.460 0.086 0.000 1.193 168 W HN -0.043 nan 8.180 nan 0.000 0.620 169 T N 0.956 115.459 114.554 -0.084 0.000 3.081 169 T HA 0.008 4.358 4.350 0.000 0.000 0.255 169 T C 1.029 175.292 174.700 -0.728 0.000 1.113 169 T CA 1.066 62.948 62.100 -0.363 0.000 1.082 169 T CB -0.519 68.297 68.868 -0.085 0.000 0.939 169 T HN 0.665 nan 8.240 nan 0.000 0.506 170 C N 1.036 119.509 119.300 -1.378 0.000 4.617 170 C HA -0.114 4.346 4.460 0.000 0.000 0.260 170 C C 1.118 175.612 174.990 -0.828 0.000 1.288 170 C CA -0.715 57.235 59.018 -1.780 0.000 1.668 170 C CB -2.678 24.552 27.740 -0.850 0.000 1.518 170 C HN 0.759 nan 8.230 nan 0.000 0.708 171 A N 1.118 123.655 122.820 -0.472 0.000 2.404 171 A HA 0.563 4.883 4.320 0.000 0.000 0.273 171 A C 0.778 178.274 177.584 -0.146 0.000 1.144 171 A CA 1.093 53.008 52.037 -0.203 0.000 0.806 171 A CB 0.180 19.128 19.000 -0.086 0.000 1.080 171 A HN 1.374 nan 8.150 nan 0.000 0.509 172 T N 1.577 116.066 114.554 -0.109 0.000 3.504 172 T HA 0.503 4.853 4.350 0.000 0.000 0.286 172 T C -2.696 171.962 174.700 -0.071 0.000 1.530 172 T CA -1.468 60.605 62.100 -0.045 0.000 1.652 172 T CB 0.523 69.400 68.868 0.016 0.000 0.895 172 T HN 0.445 nan 8.240 nan 0.000 0.674 173 P HA 0.386 nan 4.420 nan 0.000 0.276 173 P C -0.192 176.970 177.300 -0.230 0.000 1.244 173 P CA -0.635 62.370 63.100 -0.160 0.000 0.801 173 P CB 1.172 32.744 31.700 -0.212 0.000 1.006 174 R N 0.518 120.805 120.500 -0.356 0.000 2.560 174 R HA 0.427 4.767 4.340 0.000 0.000 0.270 174 R C 0.040 176.215 176.300 -0.208 0.000 1.074 174 R CA -0.528 55.161 56.100 -0.684 0.000 1.140 174 R CB 0.227 29.954 30.300 -0.954 0.000 1.073 174 R HN 0.367 nan 8.270 nan 0.000 0.527 175 F N 1.880 121.595 119.950 -0.392 0.000 2.412 175 F HA 0.046 4.573 4.527 0.000 0.000 0.348 175 F C 1.003 176.623 175.800 -0.300 0.000 1.102 175 F CA -1.458 56.347 58.000 -0.325 0.000 1.196 175 F CB 0.273 39.074 39.000 -0.332 0.000 1.144 175 F HN 0.542 nan 8.300 nan 0.000 0.541 176 D N 2.530 122.857 120.400 -0.121 0.000 2.398 176 D HA 0.115 4.755 4.640 0.000 0.000 0.247 176 D C 1.050 177.267 176.300 -0.139 0.000 1.227 176 D CA -0.397 53.534 54.000 -0.115 0.000 0.980 176 D CB 0.562 41.309 40.800 -0.087 0.000 1.106 176 D HN 0.478 nan 8.370 nan 0.000 0.493 177 R N -0.374 120.071 120.500 -0.093 0.000 2.091 177 R HA -0.148 4.192 4.340 0.000 0.000 0.238 177 R C 2.040 178.284 176.300 -0.093 0.000 1.136 177 R CA 1.393 57.444 56.100 -0.083 0.000 0.959 177 R CB -0.220 30.065 30.300 -0.024 0.000 0.856 177 R HN 0.618 nan 8.270 nan 0.000 0.437 178 E N 0.606 120.750 120.200 -0.092 0.000 2.171 178 E HA -0.234 4.116 4.350 0.000 0.000 0.197 178 E C 1.578 178.067 176.600 -0.184 0.000 0.997 178 E CA 1.306 57.654 56.400 -0.087 0.000 0.810 178 E CB 0.101 29.798 29.700 -0.005 0.000 0.738 178 E HN 0.478 nan 8.360 nan 0.000 0.467 179 Q N -0.552 119.044 119.800 -0.339 0.000 2.319 179 Q HA 0.115 4.455 4.340 0.000 0.000 0.202 179 Q C 0.485 176.376 176.000 -0.181 0.000 0.896 179 Q CA -0.084 55.447 55.803 -0.453 0.000 0.942 179 Q CB 0.703 28.868 28.738 -0.955 0.000 1.083 179 Q HN -0.065 nan 8.270 nan 0.000 0.510 180 R N 1.858 122.292 120.500 -0.109 0.000 2.514 180 R HA 0.333 4.673 4.340 0.000 0.000 0.301 180 R C -2.642 173.625 176.300 -0.055 0.000 0.962 180 R CA -2.155 53.880 56.100 -0.108 0.000 0.882 180 R CB 1.178 31.253 30.300 -0.375 0.000 1.143 180 R HN -0.140 nan 8.270 nan 0.000 0.452 181 P HA 0.053 nan 4.420 nan 0.000 0.271 181 P C -0.616 176.847 177.300 0.271 0.000 1.218 181 P CA -0.090 63.090 63.100 0.133 0.000 0.780 181 P CB 0.625 32.419 31.700 0.156 0.000 0.901 182 L N 2.995 124.343 121.223 0.209 0.000 2.380 182 L HA 0.175 4.515 4.340 0.000 0.000 0.273 182 L C 1.627 178.671 176.870 0.291 0.000 1.138 182 L CA -0.204 54.836 54.840 0.334 0.000 0.832 182 L CB 0.401 42.697 42.059 0.394 0.000 1.124 182 L HN 0.378 nan 8.230 nan 0.000 0.454 183 L N 3.535 124.963 121.223 0.342 0.000 2.515 183 L HA 0.199 4.539 4.340 0.000 0.000 0.223 183 L C -0.217 176.833 176.870 0.300 0.000 1.079 183 L CA 0.210 55.135 54.840 0.142 0.000 0.857 183 L CB 0.774 42.691 42.059 -0.235 0.000 1.050 183 L HN 0.323 nan 8.230 nan 0.000 0.476 184 V N 0.416 120.509 119.914 0.298 0.000 2.531 184 V HA 0.255 4.375 4.120 0.000 0.000 0.301 184 V C -0.349 175.824 176.094 0.132 0.000 1.034 184 V CA -1.054 61.351 62.300 0.175 0.000 0.865 184 V CB 1.810 33.688 31.823 0.092 0.000 0.995 184 V HN 0.080 nan 8.190 nan 0.000 0.424 185 K N 2.923 123.263 120.400 -0.101 0.000 2.298 185 K HA 0.261 4.581 4.320 0.000 0.000 0.280 185 K C 0.232 176.794 176.600 -0.064 0.000 1.032 185 K CA -0.145 56.029 56.287 -0.189 0.000 0.958 185 K CB 0.212 32.441 32.500 -0.453 0.000 0.978 185 K HN 0.764 nan 8.250 nan 0.000 0.472 186 D N 1.895 122.284 120.400 -0.018 0.000 2.737 186 D HA -0.204 4.436 4.640 0.000 0.000 0.233 186 D C -0.690 175.617 176.300 0.011 0.000 1.155 186 D CA 1.217 55.216 54.000 -0.002 0.000 0.667 186 D CB -0.569 40.217 40.800 -0.023 0.000 1.060 186 D HN 0.574 nan 8.370 nan 0.000 0.427 187 D N -1.177 119.242 120.400 0.032 0.000 2.445 187 D HA 0.394 5.034 4.640 0.000 0.000 0.236 187 D C 0.788 177.124 176.300 0.060 0.000 1.315 187 D CA 0.107 54.129 54.000 0.037 0.000 0.924 187 D CB 0.680 41.495 40.800 0.026 0.000 1.447 187 D HN -0.009 nan 8.370 nan 0.000 0.532 188 A N 2.688 125.545 122.820 0.061 0.000 1.933 188 A HA -0.145 4.175 4.320 0.000 0.000 0.218 188 A C 1.627 179.260 177.584 0.081 0.000 1.175 188 A CA 1.339 53.423 52.037 0.077 0.000 0.628 188 A CB -0.029 19.008 19.000 0.062 0.000 0.814 188 A HN 0.495 nan 8.150 nan 0.000 0.444 189 D N 0.104 120.542 120.400 0.063 0.000 2.144 189 D HA -0.033 4.607 4.640 0.000 0.000 0.200 189 D C 2.187 178.526 176.300 0.066 0.000 0.978 189 D CA 1.414 55.450 54.000 0.061 0.000 0.833 189 D CB -0.311 40.516 40.800 0.044 0.000 0.961 189 D HN 0.447 nan 8.370 nan 0.000 0.470 190 A N 0.938 123.794 122.820 0.060 0.000 1.897 190 A HA -0.175 4.145 4.320 0.000 0.000 0.215 190 A C 1.956 179.585 177.584 0.075 0.000 1.181 190 A CA 1.761 53.830 52.037 0.053 0.000 0.620 190 A CB -0.513 18.509 19.000 0.037 0.000 0.821 190 A HN 0.128 nan 8.150 nan 0.000 0.443 191 D N 0.033 120.502 120.400 0.114 0.000 2.092 191 D HA -0.186 4.454 4.640 0.000 0.000 0.193 191 D C 1.273 177.736 176.300 0.271 0.000 0.994 191 D CA 1.744 55.861 54.000 0.196 0.000 0.828 191 D CB -0.163 40.780 40.800 0.238 0.000 0.963 191 D HN 0.342 nan 8.370 nan 0.000 0.450 192 D N -0.293 120.235 120.400 0.214 0.000 2.133 192 D HA -0.173 4.467 4.640 0.000 0.000 0.195 192 D C 1.949 178.362 176.300 0.188 0.000 0.997 192 D CA 1.623 55.749 54.000 0.209 0.000 0.840 192 D CB -0.602 40.276 40.800 0.130 0.000 0.947 192 D HN 0.352 nan 8.370 nan 0.000 0.452 193 A N 0.422 123.312 122.820 0.117 0.000 1.930 193 A HA -0.164 4.156 4.320 0.000 0.000 0.217 193 A C 2.134 179.748 177.584 0.050 0.000 1.175 193 A CA 1.777 53.859 52.037 0.076 0.000 0.627 193 A CB -0.477 18.550 19.000 0.045 0.000 0.815 193 A HN 0.177 nan 8.150 nan 0.000 0.443 194 E N -0.896 119.315 120.200 0.018 0.000 2.072 194 E HA -0.187 4.163 4.350 0.000 0.000 0.191 194 E C 1.644 178.157 176.600 -0.145 0.000 0.985 194 E CA 1.447 57.788 56.400 -0.097 0.000 0.801 194 E CB -0.418 29.184 29.700 -0.163 0.000 0.750 194 E HN 0.728 nan 8.360 nan 0.000 0.452 195 W N 0.591 121.857 121.300 -0.057 0.000 2.388 195 W HA -0.046 4.614 4.660 0.000 0.000 0.294 195 W C 2.080 178.588 176.519 -0.018 0.000 1.212 195 W CA 1.112 58.381 57.345 -0.128 0.000 1.271 195 W CB -0.276 29.154 29.460 -0.050 0.000 1.126 195 W HN 0.217 nan 8.180 nan 0.000 0.535 196 D N 0.079 120.651 120.400 0.287 0.000 2.117 196 D HA -0.212 4.428 4.640 0.000 0.000 0.197 196 D C 2.127 178.502 176.300 0.124 0.000 0.987 196 D CA 1.432 55.569 54.000 0.228 0.000 0.829 196 D CB -0.165 40.726 40.800 0.151 0.000 0.961 196 D HN -0.038 nan 8.370 nan 0.000 0.460 197 R N -0.422 120.101 120.500 0.038 0.000 2.073 197 R HA -0.081 4.259 4.340 0.000 0.000 0.234 197 R C 2.471 178.726 176.300 -0.074 0.000 1.134 197 R CA 1.171 57.255 56.100 -0.026 0.000 0.952 197 R CB -0.272 29.991 30.300 -0.063 0.000 0.850 197 R HN 0.263 nan 8.270 nan 0.000 0.433 198 L N -0.763 120.378 121.223 -0.137 0.000 2.056 198 L HA -0.171 4.169 4.340 0.000 0.000 0.207 198 L C 2.289 179.075 176.870 -0.139 0.000 1.078 198 L CA 1.101 55.802 54.840 -0.232 0.000 0.749 198 L CB -0.554 41.251 42.059 -0.423 0.000 0.901 198 L HN 0.214 nan 8.230 nan 0.000 0.433 199 Y N 0.354 120.654 120.300 0.001 0.000 2.224 199 Y HA -0.234 4.316 4.550 0.000 0.000 0.289 199 Y C 2.874 178.755 175.900 -0.031 0.000 1.146 199 Y CA 1.533 59.643 58.100 0.015 0.000 1.182 199 Y CB -1.117 37.384 38.460 0.068 0.000 0.983 199 Y HN 0.130 nan 8.280 nan 0.000 0.524 200 T N -0.299 114.330 114.554 0.125 0.000 2.746 200 T HA -0.216 4.134 4.350 0.000 0.000 0.267 200 T C 1.986 176.661 174.700 -0.042 0.000 1.039 200 T CA 1.697 63.823 62.100 0.044 0.000 1.142 200 T CB -0.162 68.724 68.868 0.030 0.000 0.866 200 T HN 0.239 nan 8.240 nan 0.000 0.444 201 K N 0.829 121.145 120.400 -0.141 0.000 2.025 201 K HA -0.001 4.319 4.320 0.000 0.000 0.207 201 K C 2.563 178.848 176.600 -0.526 0.000 1.049 201 K CA 1.139 57.217 56.287 -0.349 0.000 0.933 201 K CB -0.322 31.914 32.500 -0.439 0.000 0.714 201 K HN 0.258 nan 8.250 nan 0.000 0.438 202 A N 1.385 123.992 122.820 -0.355 0.000 1.908 202 A HA -0.233 4.087 4.320 0.000 0.000 0.218 202 A C 1.848 179.444 177.584 0.020 0.000 1.181 202 A CA 1.914 53.817 52.037 -0.224 0.000 0.627 202 A CB -0.558 18.422 19.000 -0.034 0.000 0.818 202 A HN 0.484 nan 8.150 nan 0.000 0.445 203 E N 0.040 120.293 120.200 0.090 0.000 2.110 203 E HA -0.170 4.180 4.350 0.000 0.000 0.193 203 E C 2.399 179.091 176.600 0.153 0.000 0.988 203 E CA 1.471 57.968 56.400 0.161 0.000 0.804 203 E CB -0.198 29.568 29.700 0.110 0.000 0.745 203 E HN 0.823 nan 8.360 nan 0.000 0.458 204 S N 0.207 115.953 115.700 0.078 0.000 2.368 204 S HA -0.185 4.285 4.470 0.000 0.000 0.224 204 S C 1.970 176.722 174.600 0.253 0.000 1.029 204 S CA 0.757 59.032 58.200 0.125 0.000 0.988 204 S CB -0.482 62.765 63.200 0.077 0.000 0.838 204 S HN 0.205 nan 8.310 nan 0.000 0.462 205 Y N 0.648 120.960 120.300 0.021 0.000 2.165 205 Y HA 0.088 4.638 4.550 0.000 0.000 0.286 205 Y C 2.049 177.979 175.900 0.051 0.000 1.155 205 Y CA 0.048 58.126 58.100 -0.036 0.000 1.164 205 Y CB -1.088 37.263 38.460 -0.181 0.000 0.978 205 Y HN 0.315 nan 8.280 nan 0.000 0.513 206 F N 0.133 120.242 119.950 0.266 0.000 2.789 206 F HA 0.058 4.585 4.527 0.000 0.000 0.300 206 F C 0.796 176.715 175.800 0.199 0.000 1.132 206 F CA 0.053 58.203 58.000 0.250 0.000 1.404 206 F CB -0.314 38.859 39.000 0.288 0.000 1.114 206 F HN -0.016 nan 8.300 nan 0.000 0.584 207 Q N 0.550 120.546 119.800 0.326 0.000 2.463 207 Q HA -0.191 4.149 4.340 0.000 0.000 0.299 207 Q C 0.042 176.138 176.000 0.160 0.000 1.353 207 Q CA 0.757 56.678 55.803 0.197 0.000 0.828 207 Q CB -2.620 26.211 28.738 0.154 0.000 1.157 207 Q HN 0.217 nan 8.270 nan 0.000 0.436 208 T N -0.086 114.577 114.554 0.182 0.000 2.916 208 T HA 0.493 4.843 4.350 0.000 0.000 0.303 208 T C 0.771 175.510 174.700 0.065 0.000 1.025 208 T CA 0.500 62.670 62.100 0.117 0.000 1.142 208 T CB 1.422 70.370 68.868 0.133 0.000 0.947 208 T HN 0.490 nan 8.240 nan 0.000 0.544 209 G N 0.493 109.314 108.800 0.035 0.000 2.684 209 G HA2 0.545 4.505 3.960 0.000 0.000 0.290 209 G HA3 0.545 4.505 3.960 0.000 0.000 0.290 209 G C 0.021 174.933 174.900 0.021 0.000 1.425 209 G CA -0.598 44.513 45.100 0.018 0.000 0.822 209 G HN 0.640 nan 8.290 nan 0.000 0.482 210 T N -2.404 112.162 114.554 0.020 0.000 3.288 210 T HA 0.275 4.625 4.350 0.000 0.000 0.293 210 T C 0.082 174.799 174.700 0.029 0.000 1.008 210 T CA 0.455 62.576 62.100 0.035 0.000 0.929 210 T CB 0.386 69.280 68.868 0.042 0.000 1.152 210 T HN 0.486 nan 8.240 nan 0.000 0.517 211 D N 0.201 120.598 120.400 -0.005 0.000 2.520 211 D HA 0.075 4.715 4.640 0.000 0.000 0.223 211 D C 1.319 177.551 176.300 -0.115 0.000 1.186 211 D CA -0.098 53.877 54.000 -0.041 0.000 0.821 211 D CB -0.081 40.691 40.800 -0.046 0.000 1.072 211 D HN 0.272 nan 8.370 nan 0.000 0.518 212 Q N -0.430 119.293 119.800 -0.128 0.000 2.369 212 Q HA 0.157 4.497 4.340 0.000 0.000 0.206 212 Q C 0.252 175.813 176.000 -0.731 0.000 0.963 212 Q CA 0.887 56.467 55.803 -0.372 0.000 0.894 212 Q CB -0.271 28.233 28.738 -0.390 0.000 0.965 212 Q HN 0.302 nan 8.270 nan 0.000 0.475 213 F N -0.109 119.673 119.950 -0.281 0.000 2.735 213 F HA 0.236 4.763 4.527 0.000 0.000 0.308 213 F C 1.214 176.817 175.800 -0.327 0.000 1.112 213 F CA -0.579 57.208 58.000 -0.354 0.000 1.235 213 F CB 0.364 39.049 39.000 -0.524 0.000 1.027 213 F HN -0.008 nan 8.300 nan 0.000 0.528 214 K N 0.437 120.740 120.400 -0.162 0.000 2.211 214 K HA -0.118 4.202 4.320 0.000 0.000 0.204 214 K C 0.546 177.006 176.600 -0.233 0.000 1.047 214 K CA 1.677 57.910 56.287 -0.090 0.000 0.935 214 K CB -0.152 32.285 32.500 -0.105 0.000 0.728 214 K HN 0.329 nan 8.250 nan 0.000 0.452 215 E N 1.588 121.509 120.200 -0.465 0.000 2.685 215 E HA 0.070 4.420 4.350 0.000 0.000 0.208 215 E C -0.899 175.395 176.600 -0.509 0.000 0.996 215 E CA -0.282 55.499 56.400 -1.032 0.000 1.054 215 E CB 1.121 30.076 29.700 -1.242 0.000 1.075 215 E HN 0.192 nan 8.360 nan 0.000 0.460 216 S N 0.753 116.385 115.700 -0.113 0.000 2.528 216 S HA 0.184 4.654 4.470 0.000 0.000 0.277 216 S C 1.292 175.994 174.600 0.170 0.000 1.297 216 S CA -0.423 57.818 58.200 0.069 0.000 1.052 216 S CB 0.466 63.778 63.200 0.187 0.000 0.917 216 S HN 0.241 nan 8.310 nan 0.000 0.492 217 I N 4.999 125.555 120.570 -0.024 0.000 2.142 217 I HA -0.173 3.997 4.170 0.000 0.000 0.240 217 I C 2.738 178.654 176.117 -0.335 0.000 1.078 217 I CA 1.174 62.177 61.300 -0.495 0.000 1.343 217 I CB -0.276 37.221 38.000 -0.838 0.000 1.046 217 I HN 0.710 nan 8.210 nan 0.000 0.405 218 R N -0.368 120.038 120.500 -0.157 0.000 2.096 218 R HA -0.266 4.074 4.340 0.000 0.000 0.240 218 R C 2.389 178.704 176.300 0.025 0.000 1.139 218 R CA 2.072 58.134 56.100 -0.062 0.000 0.952 218 R CB -0.806 29.475 30.300 -0.031 0.000 0.854 218 R HN 0.444 nan 8.270 nan 0.000 0.436 219 H N 1.107 120.188 119.070 0.019 0.000 2.290 219 H HA -0.062 4.494 4.556 0.000 0.000 0.298 219 H C 1.818 177.214 175.328 0.112 0.000 1.087 219 H CA 1.961 58.045 56.048 0.060 0.000 1.291 219 H CB -0.162 29.671 29.762 0.118 0.000 1.369 219 H HN 0.138 nan 8.280 nan 0.000 0.492 220 N N 0.095 118.881 118.700 0.144 0.000 2.188 220 N HA -0.130 4.610 4.740 0.000 0.000 0.184 220 N C 2.071 177.726 175.510 0.241 0.000 1.018 220 N CA 1.034 54.221 53.050 0.228 0.000 0.858 220 N CB -0.273 38.574 38.487 0.600 0.000 0.989 220 N HN 0.310 nan 8.380 nan 0.000 0.426 221 L N 1.402 122.772 121.223 0.245 0.000 1.990 221 L HA -0.147 4.193 4.340 0.000 0.000 0.213 221 L C 2.144 179.070 176.870 0.094 0.000 1.072 221 L CA 1.469 56.462 54.840 0.255 0.000 0.755 221 L CB -0.624 41.520 42.059 0.142 0.000 0.889 221 L HN -0.115 nan 8.230 nan 0.000 0.432 222 V N -0.816 119.100 119.914 0.003 0.000 2.307 222 V HA -0.242 3.878 4.120 0.000 0.000 0.245 222 V C 2.445 178.466 176.094 -0.122 0.000 1.045 222 V CA 1.597 63.866 62.300 -0.051 0.000 1.024 222 V CB -0.667 31.103 31.823 -0.088 0.000 0.651 222 V HN 0.503 nan 8.190 nan 0.000 0.449 223 L N 1.047 122.160 121.223 -0.184 0.000 2.012 223 L HA -0.187 4.153 4.340 0.000 0.000 0.210 223 L C 2.207 179.011 176.870 -0.110 0.000 1.073 223 L CA 2.118 56.842 54.840 -0.193 0.000 0.748 223 L CB -0.881 41.017 42.059 -0.268 0.000 0.891 223 L HN 0.335 nan 8.230 nan 0.000 0.431 224 N N -0.397 118.288 118.700 -0.025 0.000 2.216 224 N HA -0.176 4.564 4.740 0.000 0.000 0.183 224 N C 1.813 177.309 175.510 -0.022 0.000 1.017 224 N CA 1.117 54.172 53.050 0.008 0.000 0.861 224 N CB -0.289 38.233 38.487 0.058 0.000 0.986 224 N HN 0.264 nan 8.380 nan 0.000 0.428 225 K N 1.521 121.906 120.400 -0.025 0.000 2.026 225 K HA 0.060 4.380 4.320 0.000 0.000 0.208 225 K C 1.927 178.483 176.600 -0.075 0.000 1.048 225 K CA 0.944 57.214 56.287 -0.028 0.000 0.929 225 K CB -0.481 32.020 32.500 0.002 0.000 0.713 225 K HN 0.112 nan 8.250 nan 0.000 0.439 226 L N 0.061 121.168 121.223 -0.194 0.000 2.093 226 L HA -0.145 4.195 4.340 0.000 0.000 0.208 226 L C 2.232 178.911 176.870 -0.318 0.000 1.085 226 L CA 1.603 56.203 54.840 -0.400 0.000 0.755 226 L CB -0.749 40.672 42.059 -1.062 0.000 0.904 226 L HN 0.256 nan 8.230 nan 0.000 0.435 227 T N -0.726 113.696 114.554 -0.220 0.000 2.684 227 T HA -0.264 4.086 4.350 0.000 0.000 0.267 227 T C 1.783 176.531 174.700 0.080 0.000 1.036 227 T CA 1.777 63.902 62.100 0.043 0.000 1.148 227 T CB -0.166 68.741 68.868 0.065 0.000 0.863 227 T HN 0.420 nan 8.240 nan 0.000 0.436 228 E N 0.763 120.976 120.200 0.021 0.000 2.051 228 E HA -0.200 4.150 4.350 0.000 0.000 0.192 228 E C 2.102 178.703 176.600 0.002 0.000 0.991 228 E CA 1.064 57.471 56.400 0.012 0.000 0.799 228 E CB -0.027 29.665 29.700 -0.013 0.000 0.748 228 E HN 0.386 nan 8.360 nan 0.000 0.449 229 E N -0.313 119.876 120.200 -0.017 0.000 2.153 229 E HA -0.169 4.181 4.350 0.000 0.000 0.194 229 E C 1.106 177.564 176.600 -0.237 0.000 0.988 229 E CA 1.002 57.324 56.400 -0.130 0.000 0.811 229 E CB -0.121 29.485 29.700 -0.157 0.000 0.746 229 E HN 0.481 nan 8.360 nan 0.000 0.466 230 Y N 0.452 120.787 120.300 0.058 0.000 2.658 230 Y HA 0.176 4.726 4.550 0.000 0.000 0.276 230 Y C 0.632 176.598 175.900 0.110 0.000 1.167 230 Y CA -0.379 57.796 58.100 0.126 0.000 1.230 230 Y CB 0.308 38.943 38.460 0.292 0.000 1.144 230 Y HN -0.255 nan 8.280 nan 0.000 0.529 231 K N 0.704 121.192 120.400 0.146 0.000 2.491 231 K HA 0.104 4.424 4.320 0.000 0.000 0.279 231 K C 1.249 177.905 176.600 0.093 0.000 1.026 231 K CA 1.316 57.669 56.287 0.110 0.000 1.070 231 K CB -0.077 32.458 32.500 0.058 0.000 0.887 231 K HN 0.640 nan 8.250 nan 0.000 0.481 232 G N 3.140 111.998 108.800 0.097 0.000 2.184 232 G HA2 -0.312 3.648 3.960 0.000 0.000 0.264 232 G HA3 -0.312 3.648 3.960 0.000 0.000 0.264 232 G C 0.600 175.555 174.900 0.091 0.000 0.975 232 G CA 0.812 45.959 45.100 0.078 0.000 0.642 232 G HN 0.742 nan 8.290 nan 0.000 0.536 233 Q N -1.419 118.462 119.800 0.134 0.000 2.586 233 Q HA 0.287 4.627 4.340 0.000 0.000 0.243 233 Q C 1.171 177.265 176.000 0.156 0.000 0.846 233 Q CA 0.155 56.048 55.803 0.151 0.000 0.959 233 Q CB 0.921 29.779 28.738 0.199 0.000 1.227 233 Q HN 0.471 nan 8.270 nan 0.000 0.611 234 R N 0.506 121.116 120.500 0.183 0.000 2.771 234 R HA 0.392 4.732 4.340 0.000 0.000 0.274 234 R C -1.573 174.765 176.300 0.063 0.000 0.987 234 R CA -0.716 55.404 56.100 0.034 0.000 0.908 234 R CB 1.723 31.858 30.300 -0.275 0.000 1.213 234 R HN -0.022 nan 8.270 nan 0.000 0.468 235 D N 1.506 121.865 120.400 -0.069 0.000 2.168 235 D HA 0.360 5.000 4.640 0.000 0.000 0.246 235 D C -0.775 175.386 176.300 -0.231 0.000 1.050 235 D CA 0.075 54.069 54.000 -0.011 0.000 0.857 235 D CB 1.271 42.073 40.800 0.003 0.000 1.169 235 D HN 0.134 nan 8.370 nan 0.000 0.453 236 F N 0.982 120.936 119.950 0.006 0.000 2.538 236 F HA 0.371 4.898 4.527 0.000 0.000 0.325 236 F C 0.787 176.600 175.800 0.022 0.000 1.066 236 F CA -0.580 57.416 58.000 -0.007 0.000 0.946 236 F CB 1.737 40.726 39.000 -0.019 0.000 1.199 236 F HN 0.225 nan 8.300 nan 0.000 0.473 237 Q N -0.096 119.816 119.800 0.187 0.000 2.814 237 Q HA 0.358 4.698 4.340 0.000 0.000 0.322 237 Q C -1.527 174.588 176.000 0.191 0.000 0.888 237 Q CA -1.291 54.610 55.803 0.163 0.000 0.768 237 Q CB 1.592 30.390 28.738 0.100 0.000 1.443 237 Q HN 0.596 nan 8.270 nan 0.000 0.497 238 Q N 0.894 120.822 119.800 0.213 0.000 2.332 238 Q HA 0.253 4.593 4.340 0.000 0.000 0.263 238 Q C -0.504 175.557 176.000 0.102 0.000 0.979 238 Q CA -0.248 55.681 55.803 0.210 0.000 0.885 238 Q CB 0.524 29.348 28.738 0.144 0.000 1.218 238 Q HN 0.540 nan 8.270 nan 0.000 0.405 239 I N 6.780 127.387 120.570 0.062 0.000 2.906 239 I HA -0.106 4.064 4.170 0.000 0.000 0.301 239 I C -1.982 174.147 176.117 0.021 0.000 1.221 239 I CA -1.126 60.188 61.300 0.023 0.000 1.435 239 I CB 0.021 38.000 38.000 -0.034 0.000 1.345 239 I HN 0.429 nan 8.210 nan 0.000 0.558 240 P HA 0.214 nan 4.420 nan 0.000 0.271 240 P C -0.906 176.387 177.300 -0.012 0.000 1.233 240 P CA 0.177 63.279 63.100 0.004 0.000 0.764 240 P CB 0.435 32.126 31.700 -0.016 0.000 0.825 241 L N 2.520 123.747 121.223 0.007 0.000 2.362 241 L HA 0.606 4.946 4.340 0.000 0.000 0.275 241 L C 0.354 177.220 176.870 -0.007 0.000 0.998 241 L CA -1.154 53.688 54.840 0.002 0.000 0.820 241 L CB 2.061 44.187 42.059 0.111 0.000 1.270 241 L HN 0.244 nan 8.230 nan 0.000 0.415 242 A N 3.278 126.054 122.820 -0.073 0.000 2.797 242 A HA 0.713 5.033 4.320 0.000 0.000 0.296 242 A C 0.109 177.722 177.584 0.049 0.000 1.580 242 A CA 0.209 52.250 52.037 0.007 0.000 1.277 242 A CB -0.501 18.459 19.000 -0.067 0.000 1.101 242 A HN 0.786 nan 8.150 nan 0.000 0.562 243 A N 1.801 124.613 122.820 -0.014 0.000 2.590 243 A HA 0.730 5.050 4.320 0.000 0.000 0.294 243 A C -0.501 176.967 177.584 -0.193 0.000 1.046 243 A CA -0.469 51.449 52.037 -0.198 0.000 0.684 243 A CB 0.795 19.471 19.000 -0.541 0.000 1.279 243 A HN 0.625 nan 8.150 nan 0.000 0.415 244 T N 1.486 115.898 114.554 -0.237 0.000 2.890 244 T HA 0.454 4.804 4.350 0.000 0.000 0.295 244 T C -0.081 174.479 174.700 -0.232 0.000 0.993 244 T CA -0.415 61.581 62.100 -0.173 0.000 0.979 244 T CB 1.113 69.934 68.868 -0.078 0.000 0.967 244 T HN 0.725 nan 8.240 nan 0.000 0.441 245 R N 2.495 122.840 120.500 -0.257 0.000 2.401 245 R HA 0.203 4.543 4.340 0.000 0.000 0.299 245 R C 0.826 177.046 176.300 -0.133 0.000 1.064 245 R CA -0.307 55.642 56.100 -0.252 0.000 1.000 245 R CB 0.370 30.480 30.300 -0.316 0.000 0.973 245 R HN 0.382 nan 8.270 nan 0.000 0.438 246 R N 1.214 121.683 120.500 -0.052 0.000 2.175 246 R HA 0.119 4.459 4.340 0.000 0.000 0.202 246 R C 0.359 176.626 176.300 -0.055 0.000 1.018 246 R CA 0.788 56.862 56.100 -0.042 0.000 1.029 246 R CB 0.115 30.396 30.300 -0.033 0.000 0.959 246 R HN 0.760 nan 8.270 nan 0.000 0.480 247 S N -1.523 114.161 115.700 -0.026 0.000 2.672 247 S HA 0.394 4.864 4.470 0.000 0.000 0.271 247 S C -2.590 171.977 174.600 -0.056 0.000 1.171 247 S CA -1.095 57.083 58.200 -0.036 0.000 0.817 247 S CB 2.105 65.300 63.200 -0.008 0.000 1.150 247 S HN -0.253 nan 8.310 nan 0.000 0.478 248 P HA 0.035 nan 4.420 nan 0.000 0.223 248 P C 0.925 178.197 177.300 -0.047 0.000 1.144 248 P CA 1.639 64.694 63.100 -0.074 0.000 0.783 248 P CB -0.185 31.488 31.700 -0.044 0.000 0.771 249 T N -6.623 107.938 114.554 0.011 0.000 3.231 249 T HA 0.318 4.668 4.350 0.000 0.000 0.292 249 T C -0.330 174.428 174.700 0.097 0.000 1.001 249 T CA -0.381 61.745 62.100 0.044 0.000 0.920 249 T CB -0.651 68.260 68.868 0.071 0.000 1.140 249 T HN -0.142 nan 8.240 nan 0.000 0.525 250 F N 1.579 121.472 119.950 -0.095 0.000 2.653 250 F HA 0.630 5.157 4.527 0.000 0.000 0.327 250 F C -1.500 174.176 175.800 -0.206 0.000 1.195 250 F CA -1.163 56.776 58.000 -0.101 0.000 0.993 250 F CB 1.848 40.804 39.000 -0.073 0.000 1.259 250 F HN -0.074 nan 8.300 nan 0.000 0.478 251 V N 5.177 124.828 119.914 -0.439 0.000 2.417 251 V HA 0.305 4.425 4.120 0.000 0.000 0.291 251 V C -0.265 175.394 176.094 -0.725 0.000 1.024 251 V CA -0.800 61.140 62.300 -0.601 0.000 0.861 251 V CB 1.687 32.942 31.823 -0.947 0.000 0.985 251 V HN 0.702 nan 8.190 nan 0.000 0.436 252 E N 4.521 124.511 120.200 -0.350 0.000 2.001 252 E HA 0.173 4.523 4.350 0.000 0.000 0.279 252 E C -1.105 175.318 176.600 -0.295 0.000 1.045 252 E CA -0.584 55.737 56.400 -0.131 0.000 0.833 252 E CB 0.447 30.223 29.700 0.126 0.000 1.077 252 E HN 0.638 nan 8.360 nan 0.000 0.397 253 W N 2.996 124.217 121.300 -0.132 0.000 2.216 253 W HA 0.111 4.771 4.660 0.000 0.000 0.326 253 W C 0.674 177.231 176.519 0.063 0.000 1.319 253 W CA -0.493 56.742 57.345 -0.184 0.000 1.213 253 W CB 0.863 29.950 29.460 -0.623 0.000 1.171 253 W HN 0.333 nan 8.180 nan 0.000 0.557 254 S N 1.714 117.632 115.700 0.363 0.000 2.608 254 S HA 0.586 5.056 4.470 0.000 0.000 0.261 254 S C 0.183 175.244 174.600 0.768 0.000 1.314 254 S CA -0.487 58.002 58.200 0.482 0.000 0.992 254 S CB 1.107 64.594 63.200 0.479 0.000 0.935 254 S HN 0.527 nan 8.310 nan 0.000 0.564 255 S N -0.672 115.421 115.700 0.655 0.000 2.703 255 S HA 0.669 5.139 4.470 0.000 0.000 0.273 255 S C 0.746 175.560 174.600 0.357 0.000 1.178 255 S CA -0.335 58.181 58.200 0.527 0.000 0.838 255 S CB 0.489 63.917 63.200 0.380 0.000 1.178 255 S HN 0.754 nan 8.310 nan 0.000 0.494 256 A N 1.659 124.585 122.820 0.176 0.000 1.927 256 A HA -0.211 4.109 4.320 0.000 0.000 0.220 256 A C 2.021 179.662 177.584 0.096 0.000 1.185 256 A CA 2.269 54.363 52.037 0.096 0.000 0.639 256 A CB -1.593 17.434 19.000 0.046 0.000 0.820 256 A HN 0.874 nan 8.150 nan 0.000 0.451 257 N N -0.644 118.119 118.700 0.106 0.000 2.149 257 N HA -0.156 4.584 4.740 0.000 0.000 0.188 257 N C 1.575 177.117 175.510 0.052 0.000 1.019 257 N CA 2.047 55.130 53.050 0.057 0.000 0.857 257 N CB -0.259 38.272 38.487 0.074 0.000 0.997 257 N HN 0.482 nan 8.380 nan 0.000 0.426 258 T N 0.647 115.283 114.554 0.136 0.000 2.720 258 T HA -0.082 4.268 4.350 0.000 0.000 0.268 258 T C 2.087 176.827 174.700 0.067 0.000 1.037 258 T CA 1.342 63.526 62.100 0.140 0.000 1.144 258 T CB -0.314 68.718 68.868 0.274 0.000 0.864 258 T HN 0.062 nan 8.240 nan 0.000 0.444 259 V N -0.487 119.454 119.914 0.044 0.000 2.358 259 V HA 0.131 4.251 4.120 0.000 0.000 0.246 259 V C 0.538 176.594 176.094 -0.064 0.000 1.047 259 V CA 1.003 63.247 62.300 -0.094 0.000 1.035 259 V CB -0.414 31.312 31.823 -0.161 0.000 0.658 259 V HN 0.499 nan 8.190 nan 0.000 0.452 260 F N 0.868 120.696 119.950 -0.203 0.000 2.623 260 F HA 0.368 4.894 4.527 0.000 0.000 0.323 260 F C 0.176 175.857 175.800 -0.199 0.000 1.158 260 F CA -1.572 56.275 58.000 -0.255 0.000 1.030 260 F CB 1.322 40.119 39.000 -0.339 0.000 1.280 260 F HN 0.149 nan 8.300 nan 0.000 0.474 261 D N 4.915 124.853 120.400 -0.771 0.000 2.371 261 D HA -0.053 4.587 4.640 0.000 0.000 0.221 261 D C 1.184 177.215 176.300 -0.447 0.000 0.986 261 D CA 1.121 54.834 54.000 -0.477 0.000 0.899 261 D CB -0.034 40.541 40.800 -0.375 0.000 0.902 261 D HN 0.689 nan 8.370 nan 0.000 0.530 262 L N -1.938 118.854 121.223 -0.719 0.000 4.696 262 L HA -0.239 4.101 4.340 0.000 0.000 0.425 262 L C -0.229 176.620 176.870 -0.034 0.000 1.115 262 L CA 0.445 55.146 54.840 -0.233 0.000 0.996 262 L CB -1.302 40.767 42.059 0.016 0.000 2.077 262 L HN 0.239 nan 8.230 nan 0.000 0.792 263 Q N 0.833 120.504 119.800 -0.215 0.000 2.327 263 Q HA 0.250 4.590 4.340 0.000 0.000 0.254 263 Q C 0.357 176.424 176.000 0.111 0.000 0.952 263 Q CA -0.194 55.572 55.803 -0.061 0.000 0.884 263 Q CB 0.752 29.416 28.738 -0.124 0.000 1.224 263 Q HN 0.121 nan 8.270 nan 0.000 0.422 264 N N 1.974 120.730 118.700 0.094 0.000 2.454 264 N HA 0.067 4.807 4.740 0.000 0.000 0.254 264 N C -0.303 175.264 175.510 0.095 0.000 1.228 264 N CA 0.453 53.558 53.050 0.091 0.000 0.900 264 N CB 0.570 39.015 38.487 -0.071 0.000 1.089 264 N HN 0.247 nan 8.380 nan 0.000 0.449 265 R N 1.491 122.074 120.500 0.139 0.000 2.750 265 R HA 0.489 4.829 4.340 0.000 0.000 0.281 265 R C -2.460 173.879 176.300 0.065 0.000 0.972 265 R CA -1.657 54.511 56.100 0.114 0.000 0.912 265 R CB 1.782 32.183 30.300 0.169 0.000 1.187 265 R HN 0.352 nan 8.270 nan 0.000 0.464 266 P HA 0.121 nan 4.420 nan 0.000 0.272 266 P C -1.300 176.048 177.300 0.081 0.000 1.223 266 P CA -0.319 62.855 63.100 0.123 0.000 0.784 266 P CB 0.641 32.477 31.700 0.226 0.000 0.923 267 N N -1.599 117.139 118.700 0.065 0.000 2.853 267 N HA 0.251 4.991 4.740 0.000 0.000 0.258 267 N C 0.497 176.023 175.510 0.026 0.000 1.444 267 N CA -0.786 52.284 53.050 0.034 0.000 0.837 267 N CB -0.528 37.966 38.487 0.011 0.000 1.489 267 N HN 0.044 nan 8.380 nan 0.000 0.529 268 T N -0.648 113.913 114.554 0.011 0.000 2.653 268 T HA -0.171 4.179 4.350 0.000 0.000 0.268 268 T C 0.416 175.118 174.700 0.003 0.000 1.035 268 T CA 1.973 64.076 62.100 0.006 0.000 1.154 268 T CB -0.504 68.362 68.868 -0.003 0.000 0.862 268 T HN 0.575 nan 8.240 nan 0.000 0.441 269 D N 1.053 121.451 120.400 -0.004 0.000 2.289 269 D HA 0.190 4.830 4.640 0.000 0.000 0.207 269 D C 0.884 177.185 176.300 0.001 0.000 0.966 269 D CA 0.541 54.535 54.000 -0.010 0.000 0.868 269 D CB 0.154 40.937 40.800 -0.027 0.000 0.943 269 D HN 0.416 nan 8.370 nan 0.000 0.514 270 A N 1.563 124.392 122.820 0.016 0.000 3.216 270 A HA 0.326 4.646 4.320 0.000 0.000 0.321 270 A C -1.894 175.736 177.584 0.077 0.000 1.042 270 A CA -0.938 51.124 52.037 0.041 0.000 0.838 270 A CB 1.034 20.057 19.000 0.040 0.000 1.136 270 A HN -0.170 nan 8.150 nan 0.000 0.483 271 P HA -0.136 nan 4.420 nan 0.000 0.222 271 P C 0.699 178.109 177.300 0.183 0.000 1.147 271 P CA 1.190 64.346 63.100 0.094 0.000 0.790 271 P CB 0.467 32.190 31.700 0.038 0.000 0.780 272 E N -0.328 119.985 120.200 0.189 0.000 2.474 272 E HA 0.086 4.436 4.350 0.000 0.000 0.195 272 E C 0.285 177.117 176.600 0.387 0.000 1.039 272 E CA 0.144 56.726 56.400 0.304 0.000 0.881 272 E CB 0.444 30.232 29.700 0.148 0.000 0.970 272 E HN 0.486 nan 8.360 nan 0.000 0.486 273 E N 0.670 121.013 120.200 0.238 0.000 2.227 273 E HA 0.400 4.750 4.350 0.000 0.000 0.268 273 E C -0.336 176.289 176.600 0.041 0.000 0.990 273 E CA -0.479 55.998 56.400 0.128 0.000 0.856 273 E CB 1.510 31.284 29.700 0.124 0.000 1.159 273 E HN -0.151 nan 8.360 nan 0.000 0.401 274 R N 1.967 122.460 120.500 -0.012 0.000 2.473 274 R HA 0.418 4.758 4.340 0.000 0.000 0.303 274 R C -1.564 174.809 176.300 0.122 0.000 1.002 274 R CA -0.539 55.522 56.100 -0.066 0.000 0.884 274 R CB 0.964 31.104 30.300 -0.267 0.000 1.173 274 R HN 0.382 nan 8.270 nan 0.000 0.464 275 F N 2.205 122.133 119.950 -0.038 0.000 2.588 275 F HA 0.445 4.972 4.527 0.000 0.000 0.314 275 F C -1.645 174.085 175.800 -0.116 0.000 1.134 275 F CA -0.701 57.276 58.000 -0.038 0.000 0.961 275 F CB 2.039 41.093 39.000 0.089 0.000 1.239 275 F HN 0.397 nan 8.300 nan 0.000 0.448 276 N N 4.760 122.766 118.700 -1.158 0.000 2.295 276 N HA 0.572 5.312 4.740 0.000 0.000 0.293 276 N C -2.044 172.421 175.510 -1.742 0.000 1.040 276 N CA -0.659 51.647 53.050 -1.239 0.000 0.840 276 N CB 2.365 40.284 38.487 -0.946 0.000 1.468 276 N HN 0.561 nan 8.380 nan 0.000 0.478 277 L N 2.455 122.877 121.223 -1.335 0.000 2.295 277 L HA 0.630 4.970 4.340 0.000 0.000 0.285 277 L C -1.605 174.701 176.870 -0.940 0.000 1.035 277 L CA -0.239 54.070 54.840 -0.886 0.000 0.806 277 L CB 0.141 42.035 42.059 -0.276 0.000 1.214 277 L HN 0.477 nan 8.230 nan 0.000 0.426 278 F N 6.248 125.934 119.950 -0.441 0.000 2.443 278 F HA 0.519 5.046 4.527 0.000 0.000 0.369 278 F C -2.125 173.612 175.800 -0.106 0.000 1.090 278 F CA -2.102 55.728 58.000 -0.283 0.000 1.129 278 F CB 0.616 39.385 39.000 -0.384 0.000 1.367 278 F HN 0.417 nan 8.300 nan 0.000 0.465 279 P HA 0.264 nan 4.420 nan 0.000 0.274 279 P C 0.139 177.491 177.300 0.087 0.000 1.256 279 P CA -0.041 63.096 63.100 0.062 0.000 0.795 279 P CB 0.939 32.657 31.700 0.030 0.000 1.038 280 A N -1.007 121.850 122.820 0.062 0.000 2.822 280 A HA -0.112 4.208 4.320 0.000 0.000 0.287 280 A C -0.014 177.597 177.584 0.045 0.000 1.479 280 A CA 0.767 52.834 52.037 0.049 0.000 0.779 280 A CB -2.425 16.602 19.000 0.045 0.000 1.022 280 A HN 0.260 nan 8.150 nan 0.000 0.532 281 V N -0.241 119.716 119.914 0.072 0.000 2.407 281 V HA 0.665 4.785 4.120 0.000 0.000 0.291 281 V C 0.623 176.719 176.094 0.004 0.000 1.018 281 V CA -0.313 62.026 62.300 0.066 0.000 0.842 281 V CB 1.509 33.467 31.823 0.225 0.000 0.996 281 V HN 1.440 nan 8.190 nan 0.000 0.426 282 A N 4.346 127.140 122.820 -0.043 0.000 2.347 282 A HA 0.446 4.766 4.320 0.000 0.000 0.287 282 A C 0.130 177.679 177.584 -0.058 0.000 1.199 282 A CA -0.159 51.843 52.037 -0.058 0.000 0.851 282 A CB -0.161 18.850 19.000 0.018 0.000 1.118 282 A HN 0.870 nan 8.150 nan 0.000 0.525 283 C N 2.874 122.117 119.300 -0.095 0.000 2.347 283 C HA 0.380 4.840 4.460 0.000 0.000 0.353 283 C C 1.344 176.295 174.990 -0.064 0.000 1.273 283 C CA -0.296 58.653 59.018 -0.116 0.000 1.861 283 C CB -0.227 27.434 27.740 -0.131 0.000 2.420 283 C HN 1.017 nan 8.230 nan 0.000 0.542 284 E N 0.979 121.168 120.200 -0.017 0.000 2.306 284 E HA 0.123 4.473 4.350 0.000 0.000 0.201 284 E C 0.092 176.694 176.600 0.004 0.000 0.874 284 E CA 0.365 56.782 56.400 0.028 0.000 0.972 284 E CB 0.494 30.276 29.700 0.135 0.000 0.957 284 E HN 0.689 nan 8.360 nan 0.000 0.492 285 R N 0.536 121.047 120.500 0.019 0.000 2.629 285 R HA 0.370 4.710 4.340 0.000 0.000 0.266 285 R C -0.808 175.474 176.300 -0.030 0.000 1.051 285 R CA -0.699 55.392 56.100 -0.016 0.000 0.895 285 R CB 1.636 31.918 30.300 -0.030 0.000 1.246 285 R HN -0.102 nan 8.270 nan 0.000 0.459 286 V N -0.802 119.073 119.914 -0.066 0.000 2.481 286 V HA 0.561 4.681 4.120 0.000 0.000 0.286 286 V C 0.162 176.199 176.094 -0.095 0.000 1.042 286 V CA -0.808 61.414 62.300 -0.130 0.000 0.928 286 V CB 1.630 33.324 31.823 -0.215 0.000 0.986 286 V HN 0.475 nan 8.190 nan 0.000 0.462 287 V N 5.546 125.389 119.914 -0.117 0.000 2.383 287 V HA 0.459 4.579 4.120 0.000 0.000 0.275 287 V C 0.620 176.684 176.094 -0.050 0.000 1.036 287 V CA -0.455 61.802 62.300 -0.072 0.000 0.889 287 V CB 0.696 32.492 31.823 -0.046 0.000 0.985 287 V HN 0.936 nan 8.190 nan 0.000 0.459 288 R N 3.549 124.041 120.500 -0.014 0.000 2.459 288 R HA 0.331 4.671 4.340 0.000 0.000 0.281 288 R C 0.235 176.569 176.300 0.055 0.000 1.050 288 R CA -0.619 55.532 56.100 0.086 0.000 1.055 288 R CB 0.738 31.079 30.300 0.069 0.000 1.045 288 R HN 0.877 nan 8.270 nan 0.000 0.495 289 N N 1.147 119.895 118.700 0.081 0.000 2.424 289 N HA 0.028 4.768 4.740 0.000 0.000 0.257 289 N C 0.435 175.948 175.510 0.005 0.000 1.250 289 N CA -0.076 52.991 53.050 0.030 0.000 0.946 289 N CB 0.649 39.151 38.487 0.024 0.000 1.175 289 N HN 0.585 nan 8.380 nan 0.000 0.477 290 A N 0.536 123.350 122.820 -0.009 0.000 2.070 290 A HA -0.016 4.304 4.320 0.000 0.000 0.220 290 A C 1.906 179.470 177.584 -0.034 0.000 1.159 290 A CA 0.752 52.777 52.037 -0.021 0.000 0.656 290 A CB -0.729 18.259 19.000 -0.019 0.000 0.800 290 A HN 0.662 nan 8.150 nan 0.000 0.453 291 L N -0.680 120.515 121.223 -0.047 0.000 2.591 291 L HA 0.048 4.388 4.340 0.000 0.000 0.228 291 L C -0.025 176.760 176.870 -0.141 0.000 1.133 291 L CA -0.225 54.570 54.840 -0.075 0.000 0.880 291 L CB -0.402 41.615 42.059 -0.070 0.000 1.033 291 L HN 0.348 nan 8.230 nan 0.000 0.450 292 N N 0.413 119.021 118.700 -0.153 0.000 2.725 292 N HA -0.188 4.552 4.740 0.000 0.000 0.251 292 N C 0.934 175.898 175.510 -0.911 0.000 1.031 292 N CA 1.075 53.922 53.050 -0.337 0.000 0.720 292 N CB -1.057 37.373 38.487 -0.096 0.000 0.930 292 N HN 0.554 nan 8.380 nan 0.000 0.543 293 S N -1.931 113.345 115.700 -0.707 0.000 2.604 293 S HA 0.183 4.653 4.470 0.000 0.000 0.235 293 S C 0.342 174.698 174.600 -0.406 0.000 1.043 293 S CA -0.078 57.774 58.200 -0.580 0.000 0.997 293 S CB 1.584 64.645 63.200 -0.233 0.000 0.956 293 S HN 0.459 nan 8.310 nan 0.000 0.535 294 E N 0.280 120.357 120.200 -0.206 0.000 2.388 294 E HA 0.379 4.729 4.350 0.000 0.000 0.280 294 E C -1.810 174.987 176.600 0.329 0.000 1.019 294 E CA -0.859 55.648 56.400 0.179 0.000 0.806 294 E CB 1.279 31.052 29.700 0.122 0.000 1.246 294 E HN 0.073 nan 8.360 nan 0.000 0.443 295 I N 3.103 123.825 120.570 0.253 0.000 2.385 295 I HA 0.147 4.317 4.170 0.000 0.000 0.294 295 I C 1.102 177.178 176.117 -0.068 0.000 0.988 295 I CA -0.140 61.143 61.300 -0.028 0.000 1.265 295 I CB 1.372 39.100 38.000 -0.454 0.000 1.388 295 I HN 0.676 nan 8.210 nan 0.000 0.480 296 E N 3.122 123.277 120.200 -0.075 0.000 2.140 296 E HA 0.038 4.388 4.350 0.000 0.000 0.191 296 E C 0.324 176.971 176.600 0.077 0.000 0.973 296 E CA 0.541 56.960 56.400 0.032 0.000 0.829 296 E CB 0.413 30.129 29.700 0.028 0.000 0.781 296 E HN 0.742 nan 8.360 nan 0.000 0.466 297 S N -0.744 114.917 115.700 -0.064 0.000 2.611 297 S HA 0.415 4.885 4.470 0.000 0.000 0.270 297 S C -1.518 173.062 174.600 -0.035 0.000 1.131 297 S CA -1.059 57.196 58.200 0.092 0.000 0.826 297 S CB 0.988 64.254 63.200 0.110 0.000 1.095 297 S HN 0.014 nan 8.310 nan 0.000 0.461 298 L N 2.239 123.550 121.223 0.145 0.000 2.280 298 L HA 0.632 4.972 4.340 0.000 0.000 0.287 298 L C -0.571 176.305 176.870 0.010 0.000 1.023 298 L CA -0.116 54.753 54.840 0.048 0.000 0.819 298 L CB 0.815 42.923 42.059 0.081 0.000 1.212 298 L HN 0.993 nan 8.230 nan 0.000 0.420 299 H N 5.447 124.474 119.070 -0.072 0.000 2.742 299 H HA 0.555 5.111 4.556 0.000 0.000 0.302 299 H C -0.394 174.879 175.328 -0.092 0.000 1.069 299 H CA 0.020 56.030 56.048 -0.064 0.000 1.446 299 H CB 0.545 30.274 29.762 -0.056 0.000 1.462 299 H HN 0.660 nan 8.280 nan 0.000 0.499 300 I N 1.697 121.963 120.570 -0.506 0.000 2.846 300 I HA 0.429 4.599 4.170 0.000 0.000 0.307 300 I C -1.169 174.805 176.117 -0.239 0.000 1.053 300 I CA -1.002 60.096 61.300 -0.338 0.000 1.050 300 I CB 2.556 40.313 38.000 -0.404 0.000 1.239 300 I HN 0.654 nan 8.210 nan 0.000 0.439 301 H N 3.260 122.229 119.070 -0.169 0.000 2.906 301 H HA 0.233 4.789 4.556 0.000 0.000 0.324 301 H C -1.540 173.793 175.328 0.009 0.000 0.973 301 H CA -0.691 55.310 56.048 -0.077 0.000 1.321 301 H CB 1.480 31.226 29.762 -0.027 0.000 1.535 301 H HN 0.778 nan 8.280 nan 0.000 0.518 302 D N 5.480 125.908 120.400 0.046 0.000 2.339 302 D HA 0.010 4.650 4.640 0.000 0.000 0.256 302 D C 1.016 177.181 176.300 -0.225 0.000 1.214 302 D CA -0.101 53.895 54.000 -0.007 0.000 0.877 302 D CB 1.097 41.998 40.800 0.169 0.000 1.111 302 D HN 0.679 nan 8.370 nan 0.000 0.478 303 L N 4.140 125.226 121.223 -0.228 0.000 2.492 303 L HA -0.053 4.287 4.340 0.000 0.000 0.223 303 L C 1.783 178.599 176.870 -0.089 0.000 1.132 303 L CA 0.010 54.698 54.840 -0.254 0.000 0.850 303 L CB 0.036 42.027 42.059 -0.113 0.000 0.966 303 L HN 0.501 nan 8.230 nan 0.000 0.454 304 I N -0.652 119.901 120.570 -0.027 0.000 2.429 304 I HA -0.105 4.065 4.170 0.000 0.000 0.247 304 I C 2.688 178.821 176.117 0.027 0.000 1.099 304 I CA 1.429 62.736 61.300 0.012 0.000 1.422 304 I CB -1.028 36.991 38.000 0.031 0.000 1.112 304 I HN 0.236 nan 8.210 nan 0.000 0.430 305 S N 0.381 116.110 115.700 0.048 0.000 2.425 305 S HA 0.125 4.595 4.470 0.000 0.000 0.225 305 S C 1.864 176.505 174.600 0.068 0.000 1.024 305 S CA 0.815 59.056 58.200 0.068 0.000 0.951 305 S CB -0.005 63.260 63.200 0.109 0.000 0.796 305 S HN 0.556 nan 8.310 nan 0.000 0.498 306 G N 1.171 110.018 108.800 0.077 0.000 2.199 306 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 306 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 306 G C -0.423 174.585 174.900 0.179 0.000 0.982 306 G CA 0.124 45.327 45.100 0.172 0.000 0.632 306 G HN 0.549 nan 8.290 nan 0.000 0.529 307 D N 0.897 121.349 120.400 0.087 0.000 2.414 307 D HA 0.452 5.092 4.640 0.000 0.000 0.242 307 D C 1.007 177.191 176.300 -0.192 0.000 1.129 307 D CA 0.278 54.208 54.000 -0.117 0.000 0.885 307 D CB 0.576 41.277 40.800 -0.165 0.000 1.198 307 D HN 0.427 nan 8.370 nan 0.000 0.437 308 R N 1.369 121.589 120.500 -0.466 0.000 2.604 308 R HA 0.634 4.974 4.340 0.000 0.000 0.287 308 R C -0.630 175.162 176.300 -0.847 0.000 0.970 308 R CA -0.652 55.174 56.100 -0.458 0.000 0.946 308 R CB 1.208 31.353 30.300 -0.258 0.000 1.127 308 R HN 0.294 nan 8.270 nan 0.000 0.473 309 F N -0.170 119.625 119.950 -0.258 0.000 2.626 309 F HA 0.312 4.839 4.527 0.000 0.000 0.311 309 F C -0.007 175.673 175.800 -0.200 0.000 1.088 309 F CA -1.033 56.862 58.000 -0.174 0.000 0.949 309 F CB 1.874 40.788 39.000 -0.144 0.000 1.322 309 F HN 0.167 nan 8.300 nan 0.000 0.461 310 E N 2.785 123.073 120.200 0.147 0.000 2.133 310 E HA 0.396 4.746 4.350 0.000 0.000 0.274 310 E C -0.845 175.824 176.600 0.115 0.000 0.930 310 E CA -0.403 56.068 56.400 0.118 0.000 0.770 310 E CB 2.083 31.867 29.700 0.141 0.000 1.104 310 E HN 0.310 nan 8.360 nan 0.000 0.403 311 I N 2.467 123.086 120.570 0.083 0.000 2.359 311 I HA 0.264 4.434 4.170 0.000 0.000 0.294 311 I C 0.328 176.573 176.117 0.214 0.000 0.987 311 I CA -0.830 60.545 61.300 0.126 0.000 1.225 311 I CB 1.211 39.245 38.000 0.058 0.000 1.366 311 I HN 0.244 nan 8.210 nan 0.000 0.466 312 K N 4.789 125.310 120.400 0.202 0.000 2.182 312 K HA 0.819 5.139 4.320 0.000 0.000 0.262 312 K C -1.125 175.543 176.600 0.114 0.000 0.957 312 K CA -0.329 56.080 56.287 0.204 0.000 0.842 312 K CB 1.780 34.364 32.500 0.140 0.000 1.099 312 K HN 0.807 nan 8.250 nan 0.000 0.438 313 A N 2.684 125.478 122.820 -0.043 0.000 2.594 313 A HA 0.387 4.707 4.320 0.000 0.000 0.291 313 A C -0.558 176.891 177.584 -0.225 0.000 1.105 313 A CA -0.673 51.218 52.037 -0.243 0.000 0.694 313 A CB 1.046 19.717 19.000 -0.549 0.000 1.291 313 A HN 0.767 nan 8.150 nan 0.000 0.410 314 D N -0.466 119.854 120.400 -0.134 0.000 2.194 314 D HA 0.103 4.743 4.640 0.000 0.000 0.204 314 D C 0.365 176.549 176.300 -0.193 0.000 0.964 314 D CA 1.647 55.632 54.000 -0.025 0.000 0.846 314 D CB 0.178 41.035 40.800 0.095 0.000 0.962 314 D HN 0.237 nan 8.370 nan 0.000 0.490 315 V N 0.764 120.421 119.914 -0.427 0.000 2.588 315 V HA 0.294 4.414 4.120 0.000 0.000 0.304 315 V C -1.221 174.615 176.094 -0.430 0.000 1.042 315 V CA -0.892 61.154 62.300 -0.424 0.000 0.877 315 V CB 1.711 33.181 31.823 -0.589 0.000 0.996 315 V HN -0.064 nan 8.190 nan 0.000 0.425 316 Y N 2.784 123.064 120.300 -0.032 0.000 2.328 316 Y HA 0.681 5.231 4.550 0.000 0.000 0.336 316 Y C -0.134 175.725 175.900 -0.068 0.000 0.960 316 Y CA -0.906 57.165 58.100 -0.048 0.000 1.134 316 Y CB 2.133 40.568 38.460 -0.042 0.000 1.166 316 Y HN 0.368 nan 8.280 nan 0.000 0.464 317 V N 5.575 125.456 119.914 -0.055 0.000 2.409 317 V HA 0.389 4.509 4.120 0.000 0.000 0.291 317 V C -0.434 175.526 176.094 -0.224 0.000 1.020 317 V CA -0.884 61.261 62.300 -0.259 0.000 0.848 317 V CB 1.618 33.071 31.823 -0.616 0.000 0.990 317 V HN 0.597 nan 8.190 nan 0.000 0.430 318 L N 5.339 126.425 121.223 -0.228 0.000 2.277 318 L HA 0.533 4.873 4.340 0.000 0.000 0.284 318 L C 0.351 177.114 176.870 -0.178 0.000 1.028 318 L CA -0.175 54.554 54.840 -0.184 0.000 0.835 318 L CB 1.484 43.417 42.059 -0.211 0.000 1.215 318 L HN 0.807 nan 8.230 nan 0.000 0.425 319 T N -1.691 112.794 114.554 -0.115 0.000 3.624 319 T HA 0.358 4.708 4.350 0.000 0.000 0.244 319 T C 0.650 175.354 174.700 0.008 0.000 1.063 319 T CA -0.147 61.926 62.100 -0.045 0.000 1.252 319 T CB 0.988 69.827 68.868 -0.048 0.000 1.021 319 T HN 0.522 nan 8.240 nan 0.000 0.590 320 A N 0.783 123.617 122.820 0.022 0.000 2.379 320 A HA 0.776 5.096 4.320 0.000 0.000 0.236 320 A C 1.398 179.057 177.584 0.126 0.000 1.272 320 A CA 0.073 52.145 52.037 0.058 0.000 0.886 320 A CB -0.785 18.244 19.000 0.049 0.000 0.962 320 A HN 1.679 nan 8.150 nan 0.000 0.504 321 G N -2.309 106.564 108.800 0.120 0.000 2.707 321 G HA2 0.231 4.191 3.960 0.000 0.000 0.686 321 G HA3 0.231 4.191 3.960 0.000 0.000 0.686 321 G C 0.808 175.811 174.900 0.171 0.000 1.315 321 G CA -0.302 44.880 45.100 0.138 0.000 0.832 321 G HN 1.304 nan 8.290 nan 0.000 0.573 322 A N -0.674 122.232 122.820 0.142 0.000 1.972 322 A HA 0.231 4.551 4.320 0.000 0.000 0.219 322 A C 2.654 180.322 177.584 0.140 0.000 1.169 322 A CA 3.169 55.285 52.037 0.131 0.000 0.635 322 A CB -0.353 18.691 19.000 0.074 0.000 0.810 322 A HN 1.577 nan 8.150 nan 0.000 0.446 323 V N -0.946 119.006 119.914 0.064 0.000 2.302 323 V HA -0.199 3.921 4.120 0.000 0.000 0.243 323 V C 2.221 178.324 176.094 0.015 0.000 1.036 323 V CA 2.165 64.461 62.300 -0.007 0.000 1.020 323 V CB -1.020 30.671 31.823 -0.221 0.000 0.657 323 V HN 0.732 nan 8.190 nan 0.000 0.453 324 H N -0.310 118.835 119.070 0.125 0.000 2.502 324 H HA -0.014 4.542 4.556 0.000 0.000 0.283 324 H C 2.270 177.594 175.328 -0.007 0.000 1.015 324 H CA 0.892 56.967 56.048 0.046 0.000 1.298 324 H CB 0.112 29.878 29.762 0.008 0.000 1.411 324 H HN 0.323 nan 8.280 nan 0.000 0.556 325 N N -0.059 118.716 118.700 0.124 0.000 2.058 325 N HA -0.126 4.614 4.740 0.000 0.000 0.191 325 N C 1.816 177.316 175.510 -0.016 0.000 1.037 325 N CA 1.876 54.931 53.050 0.008 0.000 0.848 325 N CB -0.584 37.883 38.487 -0.033 0.000 1.021 325 N HN 0.313 nan 8.380 nan 0.000 0.422 326 T N 1.000 115.622 114.554 0.113 0.000 2.684 326 T HA -0.206 4.144 4.350 0.000 0.000 0.267 326 T C 1.859 176.433 174.700 -0.210 0.000 1.036 326 T CA 1.318 63.482 62.100 0.107 0.000 1.148 326 T CB -0.326 68.752 68.868 0.349 0.000 0.863 326 T HN 0.359 nan 8.240 nan 0.000 0.436 327 Q N 0.050 119.611 119.800 -0.399 0.000 2.061 327 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 327 Q C 2.298 178.023 176.000 -0.457 0.000 0.984 327 Q CA 1.228 56.471 55.803 -0.933 0.000 0.846 327 Q CB -0.264 28.245 28.738 -0.381 0.000 0.902 327 Q HN 0.329 nan 8.270 nan 0.000 0.421 328 L N 0.618 121.711 121.223 -0.218 0.000 2.046 328 L HA -0.154 4.186 4.340 0.000 0.000 0.208 328 L C 2.044 178.833 176.870 -0.135 0.000 1.077 328 L CA 1.595 56.347 54.840 -0.146 0.000 0.747 328 L CB -0.767 41.226 42.059 -0.111 0.000 0.896 328 L HN 0.331 nan 8.230 nan 0.000 0.432 329 L N -1.977 119.152 121.223 -0.156 0.000 2.056 329 L HA -0.183 4.157 4.340 0.000 0.000 0.207 329 L C 2.407 179.315 176.870 0.063 0.000 1.078 329 L CA 0.830 55.612 54.840 -0.097 0.000 0.749 329 L CB -0.557 41.358 42.059 -0.239 0.000 0.901 329 L HN 0.053 nan 8.230 nan 0.000 0.433 330 V N -0.103 119.774 119.914 -0.062 0.000 2.515 330 V HA -0.252 3.868 4.120 0.000 0.000 0.250 330 V C 2.049 178.112 176.094 -0.052 0.000 1.058 330 V CA 1.847 64.126 62.300 -0.035 0.000 1.064 330 V CB -0.686 31.058 31.823 -0.131 0.000 0.675 330 V HN 0.477 nan 8.190 nan 0.000 0.461 331 N N -0.033 118.598 118.700 -0.116 0.000 2.512 331 N HA -0.083 4.657 4.740 0.000 0.000 0.183 331 N C 1.575 177.059 175.510 -0.043 0.000 1.073 331 N CA 1.021 54.023 53.050 -0.080 0.000 0.911 331 N CB -0.010 38.419 38.487 -0.097 0.000 0.964 331 N HN 0.390 nan 8.380 nan 0.000 0.447 332 S N -1.604 114.095 115.700 -0.002 0.000 2.556 332 S HA 0.312 4.782 4.470 0.000 0.000 0.216 332 S C 1.126 175.689 174.600 -0.061 0.000 0.970 332 S CA 0.283 58.490 58.200 0.011 0.000 0.912 332 S CB 0.607 63.878 63.200 0.118 0.000 0.790 332 S HN 0.521 nan 8.310 nan 0.000 0.504 333 G N 1.073 109.838 108.800 -0.058 0.000 2.159 333 G HA2 -0.225 3.735 3.960 0.000 0.000 0.227 333 G HA3 -0.225 3.735 3.960 0.000 0.000 0.227 333 G C -0.074 174.686 174.900 -0.234 0.000 0.986 333 G CA -0.538 44.472 45.100 -0.150 0.000 0.651 333 G HN 0.409 nan 8.290 nan 0.000 0.523 334 F N 0.932 120.847 119.950 -0.058 0.000 2.371 334 F HA 0.545 5.072 4.527 0.000 0.000 0.329 334 F C 1.623 177.428 175.800 0.008 0.000 1.107 334 F CA 0.955 58.933 58.000 -0.036 0.000 1.137 334 F CB 0.982 39.932 39.000 -0.083 0.000 1.214 334 F HN 0.753 nan 8.300 nan 0.000 0.536 335 G N 1.893 110.828 108.800 0.224 0.000 2.582 335 G HA2 -0.298 3.662 3.960 0.000 0.000 0.288 335 G HA3 -0.298 3.662 3.960 0.000 0.000 0.288 335 G C -0.731 174.240 174.900 0.117 0.000 1.247 335 G CA 0.103 45.306 45.100 0.171 0.000 0.972 335 G HN 0.842 nan 8.290 nan 0.000 0.557 336 Q N -1.058 118.819 119.800 0.128 0.000 2.285 336 Q HA 0.620 4.960 4.340 0.000 0.000 0.269 336 Q C -0.845 175.238 176.000 0.138 0.000 1.030 336 Q CA -0.999 54.861 55.803 0.094 0.000 0.788 336 Q CB 1.690 30.465 28.738 0.062 0.000 1.266 336 Q HN 0.841 nan 8.270 nan 0.000 0.438 337 L N 3.653 124.945 121.223 0.116 0.000 2.417 337 L HA 0.710 5.050 4.340 0.000 0.000 0.268 337 L C 0.407 177.360 176.870 0.139 0.000 1.158 337 L CA 1.992 56.928 54.840 0.159 0.000 0.819 337 L CB 0.895 43.019 42.059 0.108 0.000 1.112 337 L HN 0.860 nan 8.230 nan 0.000 0.458 338 G N 3.577 112.516 108.800 0.231 0.000 2.728 338 G HA2 -0.224 3.736 3.960 0.000 0.000 0.294 338 G HA3 -0.224 3.736 3.960 0.000 0.000 0.294 338 G C -0.476 174.329 174.900 -0.157 0.000 1.342 338 G CA -0.168 45.025 45.100 0.155 0.000 0.866 338 G HN 0.937 nan 8.290 nan 0.000 0.534 339 R N 0.675 120.846 120.500 -0.549 0.000 2.570 339 R HA 0.350 4.690 4.340 0.000 0.000 0.277 339 R C -1.942 173.897 176.300 -0.769 0.000 1.039 339 R CA -0.579 54.725 56.100 -1.327 0.000 1.065 339 R CB 0.025 29.844 30.300 -0.802 0.000 0.964 339 R HN 0.335 nan 8.270 nan 0.000 0.428 340 P HA -0.050 nan 4.420 nan 0.000 0.263 340 P C -1.285 175.856 177.300 -0.265 0.000 1.195 340 P CA 0.460 63.315 63.100 -0.408 0.000 0.762 340 P CB 0.338 31.827 31.700 -0.352 0.000 0.799 341 N N 4.375 122.977 118.700 -0.165 0.000 2.682 341 N HA 0.166 4.906 4.740 0.000 0.000 0.252 341 N C -1.740 173.729 175.510 -0.069 0.000 1.081 341 N CA -2.004 50.978 53.050 -0.113 0.000 0.844 341 N CB 1.375 39.803 38.487 -0.098 0.000 1.167 341 N HN 0.164 nan 8.380 nan 0.000 0.523 342 P HA -0.063 nan 4.420 nan 0.000 0.225 342 P C 0.646 177.931 177.300 -0.025 0.000 1.148 342 P CA 0.665 63.743 63.100 -0.036 0.000 0.779 342 P CB 0.220 31.899 31.700 -0.036 0.000 0.780 343 A N -0.595 122.207 122.820 -0.030 0.000 2.359 343 A HA 0.095 4.415 4.320 0.000 0.000 0.240 343 A C 0.920 178.491 177.584 -0.021 0.000 1.306 343 A CA 0.052 52.076 52.037 -0.022 0.000 0.898 343 A CB -0.939 18.047 19.000 -0.024 0.000 0.956 343 A HN 0.102 nan 8.150 nan 0.000 0.497 344 N N 0.462 119.150 118.700 -0.021 0.000 2.635 344 N HA 0.128 4.868 4.740 0.000 0.000 0.252 344 N C -3.415 172.089 175.510 -0.011 0.000 1.589 344 N CA -0.676 52.363 53.050 -0.017 0.000 0.828 344 N CB 1.147 39.620 38.487 -0.023 0.000 1.403 344 N HN 0.091 nan 8.380 nan 0.000 0.518 345 P HA 0.258 nan 4.420 nan 0.000 0.271 345 P C -2.516 174.793 177.300 0.015 0.000 1.216 345 P CA -0.572 62.533 63.100 0.009 0.000 0.776 345 P CB 0.166 31.874 31.700 0.013 0.000 0.881 346 P HA 0.114 nan 4.420 nan 0.000 0.274 346 P C 0.901 178.221 177.300 0.033 0.000 1.231 346 P CA -0.146 62.973 63.100 0.032 0.000 0.790 346 P CB 1.252 32.985 31.700 0.056 0.000 0.951 347 E N 1.181 121.391 120.200 0.018 0.000 2.058 347 E HA -0.099 4.251 4.350 0.000 0.000 0.194 347 E C 0.015 176.639 176.600 0.040 0.000 0.997 347 E CA 0.926 57.335 56.400 0.014 0.000 0.801 347 E CB 0.021 29.714 29.700 -0.012 0.000 0.746 347 E HN 0.407 nan 8.360 nan 0.000 0.450 348 L N 0.796 122.050 121.223 0.052 0.000 2.362 348 L HA 0.295 4.635 4.340 0.000 0.000 0.271 348 L C -0.159 176.828 176.870 0.195 0.000 1.002 348 L CA -0.898 54.013 54.840 0.119 0.000 0.818 348 L CB 1.929 44.000 42.059 0.021 0.000 1.298 348 L HN 0.150 nan 8.230 nan 0.000 0.420 349 L N 3.480 124.849 121.223 0.243 0.000 3.823 349 L HA -0.178 4.162 4.340 0.000 0.000 0.525 349 L C -1.456 175.528 176.870 0.190 0.000 1.247 349 L CA -0.456 54.530 54.840 0.243 0.000 0.776 349 L CB -0.720 41.518 42.059 0.299 0.000 1.443 349 L HN 0.596 nan 8.230 nan 0.000 0.831 350 P HA -0.097 nan 4.420 nan 0.000 0.226 350 P C 1.210 178.609 177.300 0.166 0.000 1.153 350 P CA 0.954 64.134 63.100 0.133 0.000 0.777 350 P CB 0.334 32.093 31.700 0.099 0.000 0.794 351 S N -0.572 115.243 115.700 0.192 0.000 2.558 351 S HA 0.059 4.529 4.470 0.000 0.000 0.217 351 S C 0.850 175.611 174.600 0.267 0.000 0.975 351 S CA -0.370 57.988 58.200 0.263 0.000 0.912 351 S CB -0.666 62.662 63.200 0.214 0.000 0.776 351 S HN 0.074 nan 8.310 nan 0.000 0.526 352 L N 2.308 123.667 121.223 0.227 0.000 2.499 352 L HA 0.405 4.745 4.340 0.000 0.000 0.273 352 L C 1.193 178.209 176.870 0.244 0.000 1.195 352 L CA 1.089 56.066 54.840 0.228 0.000 0.882 352 L CB -0.319 41.863 42.059 0.205 0.000 1.133 352 L HN 0.340 nan 8.230 nan 0.000 0.483 353 G N 2.453 111.406 108.800 0.255 0.000 2.168 353 G HA2 -0.276 3.684 3.960 0.000 0.000 0.263 353 G HA3 -0.276 3.684 3.960 0.000 0.000 0.263 353 G C 0.445 175.479 174.900 0.223 0.000 0.977 353 G CA 0.420 45.669 45.100 0.249 0.000 0.659 353 G HN 0.815 nan 8.290 nan 0.000 0.533 354 S N -1.534 114.312 115.700 0.244 0.000 2.664 354 S HA 0.642 5.112 4.470 0.000 0.000 0.304 354 S C 0.396 175.179 174.600 0.304 0.000 1.099 354 S CA 0.085 58.385 58.200 0.166 0.000 1.003 354 S CB 0.883 64.127 63.200 0.072 0.000 1.092 354 S HN 0.931 nan 8.310 nan 0.000 0.525 355 Y N -1.000 119.371 120.300 0.117 0.000 4.177 355 Y HA -0.207 4.343 4.550 0.000 0.000 0.227 355 Y C 0.519 176.503 175.900 0.141 0.000 1.154 355 Y CA 0.204 58.372 58.100 0.113 0.000 1.887 355 Y CB -2.318 36.203 38.460 0.102 0.000 1.594 355 Y HN 0.624 nan 8.280 nan 0.000 0.668 356 I N 0.179 120.906 120.570 0.263 0.000 2.692 356 I HA 0.427 4.597 4.170 0.000 0.000 0.284 356 I C 0.669 176.954 176.117 0.281 0.000 1.159 356 I CA 0.509 61.960 61.300 0.251 0.000 1.423 356 I CB 1.216 39.363 38.000 0.244 0.000 1.380 356 I HN 0.228 nan 8.210 nan 0.000 0.580 357 T N 2.042 116.719 114.554 0.206 0.000 2.841 357 T HA 0.672 5.022 4.350 0.000 0.000 0.283 357 T C -0.647 174.078 174.700 0.041 0.000 1.000 357 T CA -0.693 61.512 62.100 0.174 0.000 0.977 357 T CB 2.052 70.973 68.868 0.087 0.000 0.979 357 T HN 0.824 nan 8.240 nan 0.000 0.446 358 E N 1.416 121.622 120.200 0.010 0.000 2.340 358 E HA 0.361 4.711 4.350 0.000 0.000 0.273 358 E C -1.010 175.715 176.600 0.209 0.000 0.891 358 E CA -0.594 55.779 56.400 -0.045 0.000 0.757 358 E CB 2.007 31.471 29.700 -0.393 0.000 1.231 358 E HN 0.717 nan 8.360 nan 0.000 0.439 359 Q N 1.071 121.002 119.800 0.219 0.000 2.340 359 Q HA 0.426 4.766 4.340 0.000 0.000 0.249 359 Q C -0.406 175.804 176.000 0.350 0.000 0.957 359 Q CA -0.357 55.624 55.803 0.297 0.000 0.882 359 Q CB 1.179 30.127 28.738 0.350 0.000 1.235 359 Q HN 0.458 nan 8.270 nan 0.000 0.439 360 S N 1.474 117.294 115.700 0.200 0.000 2.564 360 S HA 0.325 4.795 4.470 0.000 0.000 0.278 360 S C -0.696 173.948 174.600 0.074 0.000 1.333 360 S CA -0.480 57.709 58.200 -0.018 0.000 1.048 360 S CB 0.394 63.497 63.200 -0.161 0.000 0.900 360 S HN 0.367 nan 8.310 nan 0.000 0.505 361 L N 4.742 125.974 121.223 0.014 0.000 2.406 361 L HA 0.668 5.008 4.340 0.000 0.000 0.272 361 L C -0.737 175.973 176.870 -0.267 0.000 0.980 361 L CA -0.676 54.063 54.840 -0.168 0.000 0.831 361 L CB 1.501 43.452 42.059 -0.180 0.000 1.253 361 L HN 0.473 nan 8.230 nan 0.000 0.406 362 V N 2.149 121.821 119.914 -0.402 0.000 2.732 362 V HA 0.753 4.873 4.120 0.000 0.000 0.310 362 V C -0.886 175.062 176.094 -0.245 0.000 1.053 362 V CA -0.667 61.325 62.300 -0.515 0.000 0.957 362 V CB 1.661 32.999 31.823 -0.809 0.000 1.018 362 V HN 0.803 nan 8.190 nan 0.000 0.452 363 F N 4.247 123.980 119.950 -0.362 0.000 2.619 363 F HA 0.855 5.382 4.527 0.000 0.000 0.308 363 F C -0.403 175.266 175.800 -0.220 0.000 1.097 363 F CA -0.170 57.700 58.000 -0.217 0.000 0.953 363 F CB 1.536 40.450 39.000 -0.143 0.000 1.287 363 F HN 1.206 nan 8.300 nan 0.000 0.446 364 C N 2.565 121.214 119.300 -1.086 0.000 3.320 364 C HA 0.783 5.243 4.460 0.000 0.000 0.335 364 C C -1.691 172.704 174.990 -0.991 0.000 1.430 364 C CA -0.740 57.618 59.018 -1.101 0.000 1.271 364 C CB 1.654 29.019 27.740 -0.624 0.000 1.609 364 C HN 0.972 nan 8.230 nan 0.000 0.457 365 Q N 0.638 120.102 119.800 -0.560 0.000 2.348 365 Q HA 0.756 5.096 4.340 0.000 0.000 0.271 365 Q C -0.419 175.593 176.000 0.021 0.000 1.067 365 Q CA -0.205 55.497 55.803 -0.168 0.000 0.839 365 Q CB 2.623 31.247 28.738 -0.190 0.000 1.354 365 Q HN 0.931 nan 8.270 nan 0.000 0.447 366 T N -2.487 112.157 114.554 0.150 0.000 2.932 366 T HA 0.693 5.043 4.350 0.000 0.000 0.289 366 T C -0.487 174.259 174.700 0.077 0.000 1.039 366 T CA -0.736 61.419 62.100 0.092 0.000 1.024 366 T CB 1.219 70.147 68.868 0.100 0.000 1.090 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.770 122.698 119.914 0.023 0.000 2.370 367 V HA 0.395 4.515 4.120 0.000 0.000 0.283 367 V C 0.327 176.424 176.094 0.004 0.000 1.023 367 V CA -0.914 61.394 62.300 0.012 0.000 0.857 367 V CB 1.143 32.966 31.823 -0.001 0.000 0.985 367 V HN 1.013 nan 8.190 nan 0.000 0.443 368 M N 4.700 124.311 119.600 0.017 0.000 2.250 368 M HA 0.104 4.584 4.480 0.000 0.000 0.337 368 M C 0.860 177.160 176.300 -0.000 0.000 1.161 368 M CA 0.697 56.009 55.300 0.020 0.000 1.088 368 M CB 0.674 33.285 32.600 0.018 0.000 1.639 368 M HN 0.917 nan 8.290 nan 0.000 0.447 369 S N 2.460 118.158 115.700 -0.004 0.000 2.568 369 S HA 0.073 4.543 4.470 0.000 0.000 0.282 369 S C 0.999 175.596 174.600 -0.004 0.000 1.338 369 S CA -0.141 58.049 58.200 -0.017 0.000 1.045 369 S CB 0.554 63.739 63.200 -0.023 0.000 0.873 369 S HN 0.812 nan 8.310 nan 0.000 0.516 370 T N 2.074 116.622 114.554 -0.009 0.000 2.699 370 T HA -0.174 4.176 4.350 0.000 0.000 0.268 370 T C 1.608 176.313 174.700 0.008 0.000 1.036 370 T CA 1.981 64.081 62.100 -0.000 0.000 1.147 370 T CB -0.530 68.335 68.868 -0.005 0.000 0.862 370 T HN 0.811 nan 8.240 nan 0.000 0.446 371 E N 0.304 120.505 120.200 0.003 0.000 2.058 371 E HA -0.104 4.246 4.350 0.000 0.000 0.194 371 E C 2.227 178.843 176.600 0.026 0.000 0.997 371 E CA 0.979 57.384 56.400 0.008 0.000 0.801 371 E CB -0.218 29.480 29.700 -0.004 0.000 0.746 371 E HN 0.425 nan 8.360 nan 0.000 0.450 372 L N 0.659 121.899 121.223 0.029 0.000 2.056 372 L HA -0.196 4.144 4.340 0.000 0.000 0.207 372 L C 2.389 179.298 176.870 0.065 0.000 1.078 372 L CA 0.460 55.333 54.840 0.054 0.000 0.749 372 L CB -0.241 41.848 42.059 0.051 0.000 0.901 372 L HN 0.241 nan 8.230 nan 0.000 0.433 373 I N -0.161 120.433 120.570 0.041 0.000 2.252 373 I HA -0.269 3.901 4.170 0.000 0.000 0.245 373 I C 2.131 178.279 176.117 0.052 0.000 1.102 373 I CA 1.457 62.779 61.300 0.035 0.000 1.385 373 I CB -1.081 36.929 38.000 0.017 0.000 1.064 373 I HN 0.275 nan 8.210 nan 0.000 0.414 374 D N 0.746 121.176 120.400 0.049 0.000 2.144 374 D HA -0.142 4.498 4.640 0.000 0.000 0.199 374 D C 2.377 178.726 176.300 0.082 0.000 0.984 374 D CA 1.701 55.734 54.000 0.055 0.000 0.834 374 D CB -0.113 40.709 40.800 0.038 0.000 0.955 374 D HN 0.357 nan 8.370 nan 0.000 0.465 375 S N 0.046 115.804 115.700 0.097 0.000 2.419 375 S HA -0.133 4.337 4.470 0.000 0.000 0.235 375 S C 2.180 176.934 174.600 0.257 0.000 1.019 375 S CA 0.902 59.194 58.200 0.153 0.000 0.982 375 S CB -0.591 62.694 63.200 0.142 0.000 0.789 375 S HN 0.089 nan 8.310 nan 0.000 0.490 376 V N 2.997 123.038 119.914 0.212 0.000 2.392 376 V HA -0.167 3.953 4.120 0.000 0.000 0.249 376 V C 2.183 178.433 176.094 0.261 0.000 1.059 376 V CA 2.156 64.618 62.300 0.270 0.000 1.051 376 V CB -0.834 31.055 31.823 0.110 0.000 0.658 376 V HN 0.833 nan 8.190 nan 0.000 0.455 377 K N 0.259 120.760 120.400 0.168 0.000 2.498 377 K HA 0.181 4.501 4.320 0.000 0.000 0.207 377 K C 1.523 178.189 176.600 0.111 0.000 1.033 377 K CA 0.651 57.019 56.287 0.134 0.000 1.138 377 K CB 0.198 32.757 32.500 0.098 0.000 0.860 377 K HN 0.419 nan 8.250 nan 0.000 0.490 378 S N 0.702 116.480 115.700 0.130 0.000 2.419 378 S HA -0.155 4.315 4.470 0.000 0.000 0.233 378 S C 0.975 175.585 174.600 0.015 0.000 1.016 378 S CA 1.198 59.430 58.200 0.053 0.000 0.974 378 S CB -0.222 62.981 63.200 0.005 0.000 0.786 378 S HN 0.318 nan 8.310 nan 0.000 0.492 379 D N 0.743 121.161 120.400 0.029 0.000 2.339 379 D HA 0.223 4.863 4.640 0.000 0.000 0.217 379 D C 0.175 176.508 176.300 0.055 0.000 1.050 379 D CA 0.262 54.265 54.000 0.005 0.000 0.856 379 D CB -0.033 40.746 40.800 -0.034 0.000 0.922 379 D HN 0.367 nan 8.370 nan 0.000 0.518 380 M N 0.577 120.213 119.600 0.061 0.000 2.235 380 M HA 0.197 4.677 4.480 0.000 0.000 0.351 380 M C 0.253 176.579 176.300 0.043 0.000 1.178 380 M CA 0.179 55.522 55.300 0.073 0.000 1.143 380 M CB 0.941 33.581 32.600 0.066 0.000 1.530 380 M HN -0.312 nan 8.290 nan 0.000 0.461 381 T N 4.496 119.069 114.554 0.032 0.000 2.758 381 T HA 0.663 5.013 4.350 0.000 0.000 0.285 381 T C 0.117 174.793 174.700 -0.039 0.000 0.981 381 T CA -0.395 61.704 62.100 -0.001 0.000 0.965 381 T CB 0.745 69.609 68.868 -0.007 0.000 0.927 381 T HN 0.439 nan 8.240 nan 0.000 0.448 382 I N 3.365 123.910 120.570 -0.043 0.000 2.378 382 I HA 0.500 4.670 4.170 0.000 0.000 0.291 382 I C 0.335 176.403 176.117 -0.081 0.000 0.992 382 I CA -0.750 60.492 61.300 -0.096 0.000 1.154 382 I CB 1.381 39.370 38.000 -0.018 0.000 1.315 382 I HN 0.254 nan 8.210 nan 0.000 0.448 383 R N 3.857 124.261 120.500 -0.159 0.000 2.686 383 R HA 0.695 5.035 4.340 0.000 0.000 0.286 383 R C -0.027 176.249 176.300 -0.040 0.000 0.969 383 R CA -0.011 56.042 56.100 -0.078 0.000 0.898 383 R CB 2.239 32.491 30.300 -0.079 0.000 1.183 383 R HN 0.896 nan 8.270 nan 0.000 0.456 384 G N 1.128 109.963 108.800 0.058 0.000 2.568 384 G HA2 -0.255 3.705 3.960 0.000 0.000 0.222 384 G HA3 -0.255 3.705 3.960 0.000 0.000 0.222 384 G C -1.108 173.941 174.900 0.250 0.000 1.321 384 G CA -0.233 44.952 45.100 0.141 0.000 0.893 384 G HN 0.675 nan 8.290 nan 0.000 0.569 385 T N -0.496 114.219 114.554 0.268 0.000 2.971 385 T HA 0.662 5.012 4.350 0.000 0.000 0.304 385 T C -3.070 171.596 174.700 -0.057 0.000 1.038 385 T CA -1.152 61.034 62.100 0.144 0.000 1.007 385 T CB 2.560 71.461 68.868 0.054 0.000 1.055 385 T HN 0.544 nan 8.240 nan 0.000 0.451 386 P HA 0.240 nan 4.420 nan 0.000 0.264 386 P C 1.252 178.335 177.300 -0.361 0.000 1.179 386 P CA 1.343 63.922 63.100 -0.869 0.000 0.763 386 P CB 0.118 31.418 31.700 -0.667 0.000 0.806 387 G N 1.045 109.670 108.800 -0.293 0.000 2.179 387 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 387 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 387 G C -0.088 174.784 174.900 -0.047 0.000 0.977 387 G CA -0.086 44.942 45.100 -0.120 0.000 0.641 387 G HN 0.572 nan 8.290 nan 0.000 0.533 388 E N -0.797 119.392 120.200 -0.018 0.000 2.222 388 E HA 0.632 4.982 4.350 0.000 0.000 0.267 388 E C 0.887 177.528 176.600 0.070 0.000 0.963 388 E CA -1.188 55.229 56.400 0.029 0.000 0.837 388 E CB 1.430 31.153 29.700 0.038 0.000 1.183 388 E HN -0.019 nan 8.360 nan 0.000 0.403 389 L N 1.599 122.852 121.223 0.051 0.000 2.191 389 L HA -0.140 4.200 4.340 0.000 0.000 0.212 389 L C 2.248 179.155 176.870 0.063 0.000 1.103 389 L CA 2.106 56.976 54.840 0.050 0.000 0.769 389 L CB -0.904 41.173 42.059 0.030 0.000 0.908 389 L HN 0.793 nan 8.230 nan 0.000 0.438 390 T N -4.400 110.198 114.554 0.073 0.000 3.072 390 T HA -0.172 4.178 4.350 0.000 0.000 0.266 390 T C 0.792 175.551 174.700 0.098 0.000 1.127 390 T CA -0.069 62.073 62.100 0.069 0.000 1.107 390 T CB -0.675 68.230 68.868 0.061 0.000 0.910 390 T HN 0.147 nan 8.240 nan 0.000 0.513 391 Y N 2.475 122.774 120.300 -0.001 0.000 2.465 391 Y HA 0.462 5.012 4.550 0.000 0.000 0.331 391 Y C 0.095 175.996 175.900 0.001 0.000 1.102 391 Y CA -0.791 57.310 58.100 0.001 0.000 1.358 391 Y CB 0.548 39.007 38.460 -0.001 0.000 1.213 391 Y HN 0.153 nan 8.280 nan 0.000 0.525 392 S N 5.280 120.681 115.700 -0.499 0.000 2.614 392 S HA 0.731 5.201 4.470 0.000 0.000 0.288 392 S C -1.953 172.361 174.600 -0.478 0.000 1.137 392 S CA -0.672 57.314 58.200 -0.357 0.000 0.992 392 S CB 0.714 63.810 63.200 -0.175 0.000 1.026 392 S HN 0.467 nan 8.310 nan 0.000 0.486 393 V N 4.600 124.325 119.914 -0.315 0.000 2.443 393 V HA 0.701 4.821 4.120 0.000 0.000 0.293 393 V C 0.021 176.087 176.094 -0.047 0.000 1.021 393 V CA -0.582 61.604 62.300 -0.189 0.000 0.848 393 V CB 1.308 33.054 31.823 -0.127 0.000 0.998 393 V HN 0.996 nan 8.190 nan 0.000 0.424 394 T N 1.692 116.240 114.554 -0.009 0.000 2.906 394 T HA 0.869 5.219 4.350 0.000 0.000 0.295 394 T C -0.959 173.822 174.700 0.136 0.000 1.061 394 T CA -0.724 61.395 62.100 0.032 0.000 1.000 394 T CB 2.341 71.184 68.868 -0.041 0.000 1.103 394 T HN 0.800 nan 8.240 nan 0.000 0.486 395 Y N -1.392 118.899 120.300 -0.014 0.000 2.669 395 Y HA 0.807 5.357 4.550 0.000 0.000 0.335 395 Y C -0.849 175.043 175.900 -0.013 0.000 1.116 395 Y CA -1.343 56.751 58.100 -0.011 0.000 1.081 395 Y CB 0.925 39.386 38.460 0.002 0.000 1.297 395 Y HN 0.627 nan 8.280 nan 0.000 0.484 396 T N 3.841 118.390 114.554 -0.009 0.000 2.801 396 T HA 0.391 4.741 4.350 0.000 0.000 0.306 396 T C -2.855 171.849 174.700 0.007 0.000 1.020 396 T CA -1.398 60.643 62.100 -0.098 0.000 0.948 396 T CB 0.670 69.521 68.868 -0.029 0.000 0.962 396 T HN 0.360 nan 8.240 nan 0.000 0.465 397 P HA 0.205 nan 4.420 nan 0.000 0.264 397 P C 1.141 178.483 177.300 0.071 0.000 1.193 397 P CA 0.813 63.975 63.100 0.104 0.000 0.763 397 P CB 0.309 32.025 31.700 0.026 0.000 0.810 398 G N 2.103 110.956 108.800 0.088 0.000 2.184 398 G HA2 -0.237 3.723 3.960 0.000 0.000 0.264 398 G HA3 -0.237 3.723 3.960 0.000 0.000 0.264 398 G C 0.496 175.405 174.900 0.014 0.000 0.975 398 G CA 0.022 45.146 45.100 0.039 0.000 0.642 398 G HN 0.864 nan 8.290 nan 0.000 0.536 399 A N 0.571 123.402 122.820 0.017 0.000 2.565 399 A HA 0.574 4.894 4.320 0.000 0.000 0.237 399 A C 1.852 179.423 177.584 -0.023 0.000 1.053 399 A CA 1.421 53.456 52.037 -0.003 0.000 0.755 399 A CB 0.233 19.234 19.000 0.002 0.000 0.980 399 A HN 1.818 nan 8.150 nan 0.000 0.506 400 S N 1.306 116.990 115.700 -0.027 0.000 2.423 400 S HA -0.153 4.317 4.470 0.000 0.000 0.231 400 S C 1.399 175.965 174.600 -0.057 0.000 1.014 400 S CA 1.727 59.904 58.200 -0.038 0.000 0.965 400 S CB -0.781 62.401 63.200 -0.031 0.000 0.785 400 S HN 1.240 nan 8.310 nan 0.000 0.495 401 T N -1.029 113.492 114.554 -0.056 0.000 3.107 401 T HA 0.233 4.583 4.350 0.000 0.000 0.249 401 T C 0.376 175.013 174.700 -0.105 0.000 1.096 401 T CA -0.494 61.562 62.100 -0.073 0.000 1.012 401 T CB -0.587 68.247 68.868 -0.057 0.000 0.977 401 T HN 0.213 nan 8.240 nan 0.000 0.527 402 N N 2.585 121.221 118.700 -0.106 0.000 2.458 402 N HA 0.136 4.876 4.740 0.000 0.000 0.258 402 N C 0.965 176.309 175.510 -0.277 0.000 1.219 402 N CA -0.144 52.808 53.050 -0.163 0.000 0.902 402 N CB 0.823 39.240 38.487 -0.117 0.000 1.076 402 N HN 0.151 nan 8.380 nan 0.000 0.455 403 K N 1.174 121.296 120.400 -0.463 0.000 2.361 403 K HA 0.061 4.381 4.320 0.000 0.000 0.196 403 K C -0.016 176.012 176.600 -0.954 0.000 1.039 403 K CA 0.736 56.595 56.287 -0.714 0.000 1.001 403 K CB 0.116 32.041 32.500 -0.957 0.000 0.795 403 K HN 0.559 nan 8.250 nan 0.000 0.495 404 H N 0.101 118.840 119.070 -0.552 0.000 2.679 404 H HA 0.342 4.898 4.556 0.000 0.000 0.367 404 H C -2.309 172.676 175.328 -0.573 0.000 1.162 404 H CA -2.539 53.004 56.048 -0.842 0.000 1.181 404 H CB 1.476 30.325 29.762 -1.522 0.000 1.693 404 H HN -0.153 nan 8.280 nan 0.000 0.538 405 P HA 0.024 nan 4.420 nan 0.000 0.273 405 P C 0.368 177.471 177.300 -0.329 0.000 1.250 405 P CA -0.243 62.650 63.100 -0.345 0.000 0.793 405 P CB 1.336 32.793 31.700 -0.404 0.000 1.011 406 D N -0.173 120.169 120.400 -0.097 0.000 2.178 406 D HA -0.111 4.529 4.640 0.000 0.000 0.202 406 D C 1.944 178.271 176.300 0.045 0.000 0.974 406 D CA 1.150 55.166 54.000 0.027 0.000 0.841 406 D CB -0.451 40.462 40.800 0.188 0.000 0.953 406 D HN 0.612 nan 8.370 nan 0.000 0.478 407 W N 0.336 121.706 121.300 0.116 0.000 2.350 407 W HA -0.157 4.503 4.660 0.000 0.000 0.289 407 W C 1.908 178.499 176.519 0.120 0.000 1.215 407 W CA 0.154 57.563 57.345 0.108 0.000 1.236 407 W CB -1.264 28.256 29.460 0.100 0.000 1.130 407 W HN 0.045 nan 8.180 nan 0.000 0.541 408 W N 3.376 124.298 121.300 -0.630 0.000 2.408 408 W HA -0.125 4.535 4.660 0.000 0.000 0.311 408 W C 1.899 178.176 176.519 -0.404 0.000 1.190 408 W CA 1.568 58.492 57.345 -0.700 0.000 1.321 408 W CB -1.060 27.690 29.460 -1.184 0.000 1.143 408 W HN -0.135 nan 8.180 nan 0.000 0.501 409 N N 1.055 119.689 118.700 -0.110 0.000 2.244 409 N HA -0.189 4.551 4.740 0.000 0.000 0.183 409 N C 1.496 176.686 175.510 -0.533 0.000 1.016 409 N CA 1.802 54.587 53.050 -0.442 0.000 0.866 409 N CB -0.545 37.326 38.487 -1.028 0.000 0.980 409 N HN 0.251 nan 8.380 nan 0.000 0.430 410 E N 1.616 121.658 120.200 -0.264 0.000 2.051 410 E HA -0.085 4.265 4.350 0.000 0.000 0.192 410 E C 1.599 178.251 176.600 0.087 0.000 0.991 410 E CA 1.366 57.814 56.400 0.079 0.000 0.799 410 E CB 0.053 29.881 29.700 0.213 0.000 0.748 410 E HN 0.231 nan 8.360 nan 0.000 0.449 411 K N -0.273 120.170 120.400 0.072 0.000 2.057 411 K HA -0.092 4.228 4.320 0.000 0.000 0.207 411 K C 2.167 178.785 176.600 0.031 0.000 1.049 411 K CA 1.394 57.718 56.287 0.061 0.000 0.931 411 K CB -0.170 32.365 32.500 0.058 0.000 0.714 411 K HN 0.066 nan 8.250 nan 0.000 0.440 412 V N 2.045 121.949 119.914 -0.017 0.000 2.261 412 V HA -0.250 3.870 4.120 0.000 0.000 0.246 412 V C 2.450 178.593 176.094 0.083 0.000 1.047 412 V CA 1.651 63.957 62.300 0.010 0.000 1.015 412 V CB -0.444 31.386 31.823 0.011 0.000 0.642 412 V HN 0.337 nan 8.190 nan 0.000 0.446 413 K N 0.233 120.676 120.400 0.072 0.000 2.032 413 K HA -0.248 4.072 4.320 0.000 0.000 0.209 413 K C 2.073 178.741 176.600 0.114 0.000 1.048 413 K CA 2.013 58.372 56.287 0.120 0.000 0.927 413 K CB -0.258 32.379 32.500 0.229 0.000 0.712 413 K HN 0.428 nan 8.250 nan 0.000 0.441 414 N N 0.373 119.145 118.700 0.120 0.000 2.104 414 N HA -0.195 4.545 4.740 0.000 0.000 0.190 414 N C 1.778 177.351 175.510 0.105 0.000 1.024 414 N CA 1.513 54.624 53.050 0.103 0.000 0.853 414 N CB -0.689 37.863 38.487 0.109 0.000 1.008 414 N HN 0.438 nan 8.380 nan 0.000 0.424 415 H N 0.481 119.580 119.070 0.047 0.000 2.321 415 H HA 0.090 4.646 4.556 0.000 0.000 0.300 415 H C 2.070 177.443 175.328 0.076 0.000 1.087 415 H CA 1.761 57.844 56.048 0.058 0.000 1.319 415 H CB -0.080 29.630 29.762 -0.086 0.000 1.379 415 H HN 0.111 nan 8.280 nan 0.000 0.501 416 M N -1.002 118.602 119.600 0.007 0.000 2.175 416 M HA -0.108 4.372 4.480 0.000 0.000 0.264 416 M C 2.283 178.640 176.300 0.095 0.000 1.063 416 M CA 1.509 56.827 55.300 0.031 0.000 1.119 416 M CB -0.080 32.608 32.600 0.148 0.000 1.377 416 M HN 0.378 nan 8.290 nan 0.000 0.415 417 M N 0.548 120.190 119.600 0.070 0.000 2.156 417 M HA -0.150 4.330 4.480 0.000 0.000 0.264 417 M C 1.896 178.196 176.300 0.001 0.000 1.067 417 M CA 1.959 57.308 55.300 0.082 0.000 1.131 417 M CB -0.171 32.452 32.600 0.038 0.000 1.368 417 M HN 0.144 nan 8.290 nan 0.000 0.416 418 Q N -1.233 118.497 119.800 -0.117 0.000 2.331 418 Q HA -0.016 4.324 4.340 0.000 0.000 0.203 418 Q C -0.127 175.541 176.000 -0.554 0.000 0.944 418 Q CA 0.652 56.269 55.803 -0.310 0.000 0.892 418 Q CB 0.230 28.745 28.738 -0.371 0.000 0.983 418 Q HN 0.540 nan 8.270 nan 0.000 0.482 419 H N 0.121 119.097 119.070 -0.155 0.000 2.380 419 H HA 0.191 4.747 4.556 0.000 0.000 0.231 419 H C -0.035 175.196 175.328 -0.162 0.000 1.415 419 H CA -0.083 55.870 56.048 -0.158 0.000 1.433 419 H CB 0.560 30.151 29.762 -0.284 0.000 1.544 419 H HN 0.245 nan 8.280 nan 0.000 0.503 420 Q N 0.648 120.425 119.800 -0.040 0.000 2.472 420 Q HA -0.090 4.250 4.340 0.000 0.000 0.208 420 Q C 1.757 177.682 176.000 -0.126 0.000 0.958 420 Q CA 0.657 56.379 55.803 -0.134 0.000 0.932 420 Q CB 0.503 29.106 28.738 -0.224 0.000 1.007 420 Q HN 0.494 nan 8.270 nan 0.000 0.508 421 E N 1.110 121.294 120.200 -0.027 0.000 2.478 421 E HA -0.070 4.280 4.350 0.000 0.000 0.194 421 E C -0.510 176.116 176.600 0.043 0.000 1.045 421 E CA 0.338 56.738 56.400 0.000 0.000 0.868 421 E CB 0.142 29.862 29.700 0.033 0.000 0.885 421 E HN 0.139 nan 8.360 nan 0.000 0.505 422 D N 2.133 122.573 120.400 0.068 0.000 2.249 422 D HA 0.140 4.780 4.640 0.000 0.000 0.246 422 D C -1.561 174.790 176.300 0.085 0.000 1.114 422 D CA -2.074 52.001 54.000 0.124 0.000 0.854 422 D CB 1.636 42.548 40.800 0.187 0.000 1.132 422 D HN -0.145 nan 8.370 nan 0.000 0.461 423 P HA 0.084 nan 4.420 nan 0.000 0.249 423 P C -0.157 177.184 177.300 0.068 0.000 1.229 423 P CA 0.172 63.308 63.100 0.060 0.000 0.788 423 P CB 0.397 32.124 31.700 0.045 0.000 1.072 424 L N 1.871 123.146 121.223 0.088 0.000 2.334 424 L HA 0.350 4.690 4.340 0.000 0.000 0.275 424 L C -1.324 175.583 176.870 0.061 0.000 1.036 424 L CA -2.212 52.656 54.840 0.046 0.000 0.807 424 L CB 2.205 44.263 42.059 -0.002 0.000 1.231 424 L HN -0.273 nan 8.230 nan 0.000 0.438 425 P HA 0.101 nan 4.420 nan 0.000 0.255 425 P C 0.190 177.384 177.300 -0.178 0.000 1.248 425 P CA 0.486 63.596 63.100 0.018 0.000 0.807 425 P CB 0.409 32.128 31.700 0.031 0.000 1.150 426 I N 2.391 122.761 120.570 -0.334 0.000 2.352 426 I HA 0.224 4.394 4.170 0.000 0.000 0.290 426 I C -2.156 173.478 176.117 -0.805 0.000 1.036 426 I CA -2.780 58.257 61.300 -0.437 0.000 1.336 426 I CB 0.753 38.581 38.000 -0.288 0.000 1.407 426 I HN -0.254 nan 8.210 nan 0.000 0.497 427 P HA -0.024 nan 4.420 nan 0.000 0.265 427 P C 0.362 177.401 177.300 -0.435 0.000 1.187 427 P CA 0.061 62.760 63.100 -0.667 0.000 0.766 427 P CB 0.307 31.872 31.700 -0.226 0.000 0.820 428 F N 1.003 120.825 119.950 -0.212 0.000 2.154 428 F HA -0.154 4.373 4.527 0.000 0.000 0.301 428 F C 1.733 177.490 175.800 -0.072 0.000 1.087 428 F CA 1.606 59.534 58.000 -0.120 0.000 1.274 428 F CB -0.947 38.002 39.000 -0.086 0.000 1.009 428 F HN 0.419 nan 8.300 nan 0.000 0.485 429 E N -0.449 119.828 120.200 0.129 0.000 2.451 429 E HA 0.007 4.357 4.350 0.000 0.000 0.194 429 E C -0.220 176.398 176.600 0.030 0.000 1.027 429 E CA -0.245 56.205 56.400 0.083 0.000 0.914 429 E CB -0.157 29.597 29.700 0.090 0.000 1.054 429 E HN 0.182 nan 8.360 nan 0.000 0.461 430 D N 2.648 123.042 120.400 -0.011 0.000 2.487 430 D HA 0.012 4.652 4.640 0.000 0.000 0.243 430 D C -2.304 174.007 176.300 0.017 0.000 1.154 430 D CA -1.360 52.621 54.000 -0.032 0.000 0.876 430 D CB 0.782 41.522 40.800 -0.100 0.000 1.161 430 D HN -0.118 nan 8.370 nan 0.000 0.478 431 P HA 0.079 nan 4.420 nan 0.000 0.272 431 P C -0.370 177.037 177.300 0.178 0.000 1.240 431 P CA -0.403 62.785 63.100 0.146 0.000 0.791 431 P CB 0.389 32.189 31.700 0.166 0.000 0.978 432 E N 1.755 122.077 120.200 0.203 0.000 2.371 432 E HA 0.226 4.577 4.350 0.000 0.000 0.257 432 E C -2.542 174.084 176.600 0.045 0.000 1.134 432 E CA -1.949 54.499 56.400 0.081 0.000 0.919 432 E CB -0.911 28.802 29.700 0.022 0.000 1.025 432 E HN 0.198 nan 8.360 nan 0.000 0.438 433 P HA 0.101 nan 4.420 nan 0.000 0.272 433 P C -0.577 176.698 177.300 -0.042 0.000 1.223 433 P CA -0.016 63.133 63.100 0.082 0.000 0.784 433 P CB 0.390 32.093 31.700 0.004 0.000 0.923 434 Q N 0.852 120.713 119.800 0.103 0.000 3.662 434 Q HA 0.305 4.645 4.340 0.000 0.000 0.237 434 Q C -1.226 174.844 176.000 0.117 0.000 0.895 434 Q CA -0.225 55.515 55.803 -0.105 0.000 0.767 434 Q CB 1.155 29.541 28.738 -0.586 0.000 1.469 434 Q HN 0.172 nan 8.270 nan 0.000 0.424 435 V N 0.539 120.488 119.914 0.057 0.000 2.667 435 V HA 0.754 4.874 4.120 0.000 0.000 0.308 435 V C 0.095 176.199 176.094 0.017 0.000 1.048 435 V CA -0.432 61.910 62.300 0.071 0.000 0.928 435 V CB 2.123 33.931 31.823 -0.024 0.000 1.004 435 V HN 0.448 nan 8.190 nan 0.000 0.444 436 T N 1.648 116.248 114.554 0.076 0.000 2.923 436 T HA 0.463 4.813 4.350 0.000 0.000 0.311 436 T C -0.974 173.651 174.700 -0.125 0.000 1.183 436 T CA -0.309 61.773 62.100 -0.031 0.000 1.020 436 T CB 1.839 70.671 68.868 -0.059 0.000 1.165 436 T HN 0.815 nan 8.240 nan 0.000 0.482 437 T N 4.773 119.081 114.554 -0.410 0.000 2.772 437 T HA 0.599 4.949 4.350 0.000 0.000 0.288 437 T C -0.023 174.510 174.700 -0.279 0.000 0.994 437 T CA -0.593 61.099 62.100 -0.680 0.000 0.951 437 T CB -0.211 67.777 68.868 -1.466 0.000 0.933 437 T HN 0.514 nan 8.240 nan 0.000 0.447 438 L N 4.431 125.583 121.223 -0.118 0.000 2.467 438 L HA 0.373 4.713 4.340 0.000 0.000 0.270 438 L C 0.762 177.648 176.870 0.028 0.000 1.205 438 L CA -0.890 53.970 54.840 0.034 0.000 0.828 438 L CB 0.174 42.253 42.059 0.033 0.000 1.101 438 L HN 0.617 nan 8.230 nan 0.000 0.479 439 F N 2.936 122.825 119.950 -0.100 0.000 2.579 439 F HA -0.092 4.435 4.527 0.000 0.000 0.397 439 F C 0.314 175.865 175.800 -0.414 0.000 1.027 439 F CA 0.636 58.485 58.000 -0.252 0.000 1.217 439 F CB 0.079 38.976 39.000 -0.172 0.000 0.986 439 F HN 0.397 nan 8.300 nan 0.000 0.551 440 Q N 6.604 125.890 119.800 -0.856 0.000 2.501 440 Q HA 0.268 4.608 4.340 0.000 0.000 0.288 440 Q C -2.023 173.520 176.000 -0.763 0.000 1.051 440 Q CA -1.766 53.633 55.803 -0.673 0.000 0.788 440 Q CB 1.327 29.551 28.738 -0.857 0.000 1.469 440 Q HN 0.235 nan 8.270 nan 0.000 0.416 441 P HA -0.191 nan 4.420 nan 0.000 0.216 441 P C 1.214 178.291 177.300 -0.371 0.000 1.150 441 P CA 2.017 64.937 63.100 -0.300 0.000 0.843 441 P CB 0.238 31.856 31.700 -0.136 0.000 0.787 442 S N -1.518 113.962 115.700 -0.367 0.000 2.489 442 S HA -0.101 4.369 4.470 0.000 0.000 0.228 442 S C 0.575 174.988 174.600 -0.313 0.000 0.995 442 S CA 0.235 58.300 58.200 -0.225 0.000 0.934 442 S CB -1.229 61.942 63.200 -0.048 0.000 0.771 442 S HN 0.425 nan 8.310 nan 0.000 0.522 443 H N -1.202 117.425 119.070 -0.738 0.000 2.490 443 H HA 0.473 5.029 4.556 0.000 0.000 0.230 443 H C -3.200 170.966 175.328 -1.937 0.000 1.417 443 H CA -1.871 53.338 56.048 -1.398 0.000 1.449 443 H CB 0.393 29.641 29.762 -0.855 0.000 1.649 443 H HN 0.076 nan 8.280 nan 0.000 0.519 444 P HA 0.050 nan 4.420 nan 0.000 0.225 444 P C -1.242 175.441 177.300 -1.028 0.000 1.768 444 P CA 0.272 62.261 63.100 -1.852 0.000 0.943 444 P CB -1.124 30.076 31.700 -0.834 0.000 1.936 445 W N -0.636 120.333 121.300 -0.551 0.000 3.296 445 W HA 0.489 5.149 4.660 0.000 0.000 0.314 445 W C -0.755 175.838 176.519 0.124 0.000 1.238 445 W CA -1.319 56.035 57.345 0.016 0.000 1.193 445 W CB 0.024 29.519 29.460 0.058 0.000 1.383 445 W HN -0.019 nan 8.180 nan 0.000 0.545 446 H N 1.400 120.732 119.070 0.438 0.000 2.629 446 H HA 0.620 5.176 4.556 0.000 0.000 0.357 446 H C -0.019 175.456 175.328 0.246 0.000 1.121 446 H CA 0.722 56.934 56.048 0.274 0.000 1.406 446 H CB 1.284 31.159 29.762 0.190 0.000 1.456 446 H HN 0.563 nan 8.280 nan 0.000 0.579 447 T N 2.295 116.481 114.554 -0.614 0.000 2.876 447 T HA 0.499 4.849 4.350 0.000 0.000 0.289 447 T C -0.728 173.652 174.700 -0.534 0.000 1.014 447 T CA -1.123 60.635 62.100 -0.570 0.000 0.986 447 T CB 1.643 70.071 68.868 -0.733 0.000 1.021 447 T HN 0.677 nan 8.240 nan 0.000 0.458 448 Q N 1.850 121.546 119.800 -0.173 0.000 2.274 448 Q HA 0.543 4.883 4.340 0.000 0.000 0.268 448 Q C -1.214 174.677 176.000 -0.183 0.000 1.015 448 Q CA -0.609 55.014 55.803 -0.300 0.000 0.775 448 Q CB 2.588 31.015 28.738 -0.519 0.000 1.256 448 Q HN 0.716 nan 8.270 nan 0.000 0.442 449 I N 3.829 124.256 120.570 -0.239 0.000 2.495 449 I HA 0.365 4.535 4.170 0.000 0.000 0.277 449 I C -0.374 175.627 176.117 -0.193 0.000 1.045 449 I CA -0.269 60.766 61.300 -0.442 0.000 1.135 449 I CB 0.370 37.974 38.000 -0.660 0.000 1.241 449 I HN 0.751 nan 8.210 nan 0.000 0.469 450 H N 3.820 122.701 119.070 -0.315 0.000 3.001 450 H HA 0.666 5.222 4.556 0.000 0.000 0.266 450 H C -1.185 174.061 175.328 -0.137 0.000 1.532 450 H CA -1.351 54.582 56.048 -0.192 0.000 1.187 450 H CB 1.436 31.108 29.762 -0.149 0.000 1.881 450 H HN 0.110 nan 8.280 nan 0.000 0.643 451 R N 1.326 121.648 120.500 -0.298 0.000 2.574 451 R HA 0.273 4.613 4.340 0.000 0.000 0.288 451 R C -1.516 174.549 176.300 -0.391 0.000 1.004 451 R CA -0.577 55.328 56.100 -0.324 0.000 0.895 451 R CB 1.878 32.115 30.300 -0.106 0.000 1.191 451 R HN 0.926 nan 8.270 nan 0.000 0.444 452 D N 0.596 120.774 120.400 -0.370 0.000 2.585 452 D HA 0.454 5.094 4.640 0.000 0.000 0.254 452 D C -0.483 175.811 176.300 -0.010 0.000 1.067 452 D CA -0.809 53.081 54.000 -0.183 0.000 1.090 452 D CB 0.621 41.311 40.800 -0.183 0.000 1.408 452 D HN 0.374 nan 8.370 nan 0.000 0.554 453 A N -0.398 122.437 122.820 0.026 0.000 2.567 453 A HA 0.391 4.711 4.320 0.000 0.000 0.240 453 A C -0.811 176.862 177.584 0.149 0.000 1.053 453 A CA 0.188 52.293 52.037 0.114 0.000 0.755 453 A CB -0.704 18.385 19.000 0.149 0.000 0.978 453 A HN 0.470 nan 8.150 nan 0.000 0.507 454 F N 1.712 121.629 119.950 -0.056 0.000 2.608 454 F HA 0.446 4.973 4.527 0.000 0.000 0.309 454 F C 0.222 175.878 175.800 -0.240 0.000 1.103 454 F CA -0.297 57.561 58.000 -0.237 0.000 0.954 454 F CB 1.982 40.705 39.000 -0.461 0.000 1.267 454 F HN 0.417 nan 8.300 nan 0.000 0.444 455 S N 5.123 120.333 115.700 -0.816 0.000 2.681 455 S HA 0.315 4.785 4.470 0.000 0.000 0.313 455 S C -0.997 173.306 174.600 -0.496 0.000 1.137 455 S CA -0.192 57.706 58.200 -0.503 0.000 1.045 455 S CB -0.699 62.222 63.200 -0.465 0.000 1.208 455 S HN 0.445 nan 8.310 nan 0.000 0.523 456 Y N 2.888 123.241 120.300 0.089 0.000 2.402 456 Y HA 0.365 4.915 4.550 0.000 0.000 0.333 456 Y C 1.515 177.475 175.900 0.099 0.000 1.076 456 Y CA 0.179 58.419 58.100 0.233 0.000 1.299 456 Y CB 0.433 39.040 38.460 0.245 0.000 1.197 456 Y HN 0.696 nan 8.280 nan 0.000 0.517 457 G N 1.349 110.288 108.800 0.231 0.000 2.720 457 G HA2 0.193 4.153 3.960 0.000 0.000 0.237 457 G HA3 0.193 4.153 3.960 0.000 0.000 0.237 457 G C 0.910 175.903 174.900 0.156 0.000 1.239 457 G CA -0.000 45.188 45.100 0.147 0.000 0.847 457 G HN 0.904 nan 8.290 nan 0.000 0.593 458 A N 0.317 123.195 122.820 0.098 0.000 1.969 458 A HA 0.029 4.349 4.320 0.000 0.000 0.218 458 A C 2.500 180.129 177.584 0.075 0.000 1.169 458 A CA 1.766 53.850 52.037 0.079 0.000 0.635 458 A CB -0.347 18.684 19.000 0.052 0.000 0.810 458 A HN 0.543 nan 8.150 nan 0.000 0.445 459 V N -0.062 119.900 119.914 0.080 0.000 2.379 459 V HA -0.275 3.845 4.120 0.000 0.000 0.245 459 V C 2.557 178.701 176.094 0.084 0.000 1.044 459 V CA 2.063 64.405 62.300 0.070 0.000 1.036 459 V CB -0.869 30.992 31.823 0.064 0.000 0.664 459 V HN 0.633 nan 8.190 nan 0.000 0.453 460 Q N -0.456 119.426 119.800 0.137 0.000 2.170 460 Q HA -0.224 4.116 4.340 0.000 0.000 0.203 460 Q C 2.231 178.274 176.000 0.072 0.000 0.976 460 Q CA 1.203 57.107 55.803 0.167 0.000 0.858 460 Q CB -0.209 28.755 28.738 0.376 0.000 0.907 460 Q HN 0.650 nan 8.270 nan 0.000 0.433 461 Q N -0.098 119.748 119.800 0.077 0.000 2.439 461 Q HA -0.097 4.243 4.340 0.000 0.000 0.211 461 Q C 1.931 177.921 176.000 -0.017 0.000 0.978 461 Q CA 0.672 56.473 55.803 -0.002 0.000 0.897 461 Q CB -0.044 28.721 28.738 0.046 0.000 0.956 461 Q HN 0.204 nan 8.270 nan 0.000 0.483 462 S N -0.073 115.631 115.700 0.006 0.000 2.447 462 S HA -0.036 4.434 4.470 0.000 0.000 0.233 462 S C 0.878 175.470 174.600 -0.014 0.000 1.006 462 S CA 0.185 58.386 58.200 0.002 0.000 0.957 462 S CB 0.209 63.419 63.200 0.016 0.000 0.773 462 S HN 0.131 nan 8.310 nan 0.000 0.507 463 I N 2.781 123.332 120.570 -0.032 0.000 2.365 463 I HA 0.258 4.428 4.170 0.000 0.000 0.291 463 I C 0.327 176.399 176.117 -0.075 0.000 1.004 463 I CA -0.858 60.417 61.300 -0.042 0.000 1.311 463 I CB 0.831 38.809 38.000 -0.038 0.000 1.401 463 I HN 0.162 nan 8.210 nan 0.000 0.491 464 D N 4.304 124.677 120.400 -0.045 0.000 2.487 464 D HA -0.055 4.585 4.640 0.000 0.000 0.243 464 D C 1.236 177.492 176.300 -0.074 0.000 1.154 464 D CA 0.180 54.154 54.000 -0.042 0.000 0.876 464 D CB 1.159 41.958 40.800 -0.002 0.000 1.161 464 D HN 0.652 nan 8.370 nan 0.000 0.478 465 S N 4.313 119.953 115.700 -0.100 0.000 2.440 465 S HA -0.195 4.275 4.470 0.000 0.000 0.238 465 S C 1.672 176.236 174.600 -0.061 0.000 1.010 465 S CA 0.611 58.734 58.200 -0.128 0.000 0.972 465 S CB -0.063 63.062 63.200 -0.125 0.000 0.774 465 S HN 0.554 nan 8.310 nan 0.000 0.501 466 R N 0.763 121.244 120.500 -0.031 0.000 2.193 466 R HA 0.133 4.473 4.340 0.000 0.000 0.229 466 R C 1.793 178.072 176.300 -0.033 0.000 1.110 466 R CA 1.204 57.286 56.100 -0.031 0.000 0.988 466 R CB -0.550 29.727 30.300 -0.038 0.000 0.871 466 R HN 0.466 nan 8.270 nan 0.000 0.458 467 L N 0.265 121.470 121.223 -0.030 0.000 2.509 467 L HA 0.127 4.467 4.340 0.000 0.000 0.222 467 L C 0.693 177.562 176.870 -0.002 0.000 1.123 467 L CA 0.139 54.969 54.840 -0.016 0.000 0.856 467 L CB 0.095 42.144 42.059 -0.015 0.000 0.985 467 L HN 0.055 nan 8.230 nan 0.000 0.456 468 I N 0.207 120.769 120.570 -0.013 0.000 2.396 468 I HA 0.220 4.390 4.170 0.000 0.000 0.292 468 I C -0.548 175.581 176.117 0.020 0.000 0.999 468 I CA -0.356 60.950 61.300 0.010 0.000 1.310 468 I CB 1.727 39.718 38.000 -0.015 0.000 1.404 468 I HN -0.291 nan 8.210 nan 0.000 0.496 469 V N 4.944 124.892 119.914 0.057 0.000 2.588 469 V HA 0.310 4.430 4.120 0.000 0.000 0.304 469 V C -0.725 175.371 176.094 0.004 0.000 1.042 469 V CA -0.887 61.413 62.300 0.000 0.000 0.877 469 V CB 2.033 33.862 31.823 0.009 0.000 0.996 469 V HN 0.587 nan 8.190 nan 0.000 0.425 470 D N 2.597 122.927 120.400 -0.116 0.000 2.264 470 D HA 0.424 5.064 4.640 0.000 0.000 0.249 470 D C -0.956 175.257 176.300 -0.145 0.000 1.070 470 D CA 0.104 54.062 54.000 -0.070 0.000 0.912 470 D CB 1.214 41.975 40.800 -0.066 0.000 1.193 470 D HN 0.448 nan 8.370 nan 0.000 0.427 471 W N 1.197 122.454 121.300 -0.072 0.000 2.619 471 W HA 0.436 5.096 4.660 0.000 0.000 0.327 471 W C 0.129 176.676 176.519 0.047 0.000 1.027 471 W CA -0.838 56.510 57.345 0.006 0.000 1.233 471 W CB 1.225 30.581 29.460 -0.174 0.000 1.370 471 W HN -0.068 nan 8.180 nan 0.000 0.453 472 R N 2.950 123.677 120.500 0.379 0.000 2.483 472 R HA 0.530 4.870 4.340 0.000 0.000 0.303 472 R C -1.539 174.938 176.300 0.296 0.000 0.987 472 R CA -0.857 55.360 56.100 0.195 0.000 0.881 472 R CB 1.708 32.086 30.300 0.130 0.000 1.177 472 R HN 0.155 nan 8.270 nan 0.000 0.451 473 F N 2.925 122.724 119.950 -0.253 0.000 2.458 473 F HA 0.505 5.032 4.527 0.000 0.000 0.336 473 F C -0.370 175.303 175.800 -0.212 0.000 1.114 473 F CA -1.539 56.400 58.000 -0.102 0.000 0.987 473 F CB 1.132 40.042 39.000 -0.150 0.000 1.130 473 F HN 0.305 nan 8.300 nan 0.000 0.458 474 F N 1.383 121.519 119.950 0.310 0.000 2.427 474 F HA 0.643 5.170 4.527 0.000 0.000 0.348 474 F C 0.645 176.652 175.800 0.345 0.000 1.125 474 F CA -1.120 57.063 58.000 0.305 0.000 0.989 474 F CB 1.424 40.653 39.000 0.382 0.000 1.165 474 F HN 0.517 nan 8.300 nan 0.000 0.442 475 G N 2.231 111.278 108.800 0.412 0.000 2.477 475 G HA2 0.611 4.571 3.960 0.000 0.000 0.304 475 G HA3 0.611 4.571 3.960 0.000 0.000 0.304 475 G C -0.772 174.318 174.900 0.317 0.000 1.175 475 G CA -1.054 44.274 45.100 0.380 0.000 0.907 475 G HN 0.704 nan 8.290 nan 0.000 0.509 476 R N -0.664 120.019 120.500 0.305 0.000 2.428 476 R HA 0.631 4.971 4.340 0.000 0.000 0.294 476 R C -1.000 175.398 176.300 0.163 0.000 1.000 476 R CA -0.546 55.654 56.100 0.167 0.000 0.960 476 R CB 1.181 31.589 30.300 0.179 0.000 1.076 476 R HN 0.262 nan 8.270 nan 0.000 0.475 477 T N 1.993 116.612 114.554 0.107 0.000 2.792 477 T HA 0.110 4.460 4.350 0.000 0.000 0.280 477 T C -0.697 174.083 174.700 0.133 0.000 0.990 477 T CA -0.640 61.574 62.100 0.190 0.000 0.960 477 T CB 1.343 70.395 68.868 0.307 0.000 0.939 477 T HN 0.659 nan 8.240 nan 0.000 0.439 478 E N 4.758 125.041 120.200 0.137 0.000 2.415 478 E HA 0.076 4.426 4.350 0.000 0.000 0.263 478 E C -2.120 174.558 176.600 0.130 0.000 0.995 478 E CA -1.568 54.903 56.400 0.118 0.000 0.915 478 E CB 0.507 30.268 29.700 0.101 0.000 0.951 478 E HN 0.195 nan 8.360 nan 0.000 0.449 479 P HA 0.094 nan 4.420 nan 0.000 0.271 479 P C -1.207 176.243 177.300 0.251 0.000 1.233 479 P CA 0.116 63.355 63.100 0.231 0.000 0.764 479 P CB 0.626 32.482 31.700 0.259 0.000 0.825 480 K N 2.680 123.168 120.400 0.147 0.000 2.378 480 K HA 0.174 4.494 4.320 0.000 0.000 0.252 480 K C 1.000 177.418 176.600 -0.303 0.000 0.931 480 K CA -0.723 55.560 56.287 -0.005 0.000 0.794 480 K CB 2.252 34.716 32.500 -0.061 0.000 1.181 480 K HN 0.451 nan 8.250 nan 0.000 0.425 481 E N 2.197 122.032 120.200 -0.607 0.000 2.118 481 E HA -0.218 4.132 4.350 0.000 0.000 0.195 481 E C 0.973 177.305 176.600 -0.447 0.000 0.992 481 E CA 1.482 57.270 56.400 -1.019 0.000 0.804 481 E CB 0.485 29.796 29.700 -0.649 0.000 0.741 481 E HN 0.560 nan 8.360 nan 0.000 0.458 482 E N 0.337 120.386 120.200 -0.252 0.000 2.347 482 E HA -0.106 4.244 4.350 0.000 0.000 0.196 482 E C 0.019 176.560 176.600 -0.098 0.000 1.008 482 E CA 0.277 56.590 56.400 -0.145 0.000 0.852 482 E CB -0.263 29.369 29.700 -0.113 0.000 0.783 482 E HN 0.058 nan 8.360 nan 0.000 0.505 483 N N 2.126 120.760 118.700 -0.110 0.000 2.401 483 N HA 0.158 4.898 4.740 0.000 0.000 0.255 483 N C -0.787 174.792 175.510 0.115 0.000 1.110 483 N CA 0.198 53.246 53.050 -0.005 0.000 0.949 483 N CB 1.016 39.475 38.487 -0.046 0.000 1.110 483 N HN 0.132 nan 8.380 nan 0.000 0.490 484 K N 1.180 121.699 120.400 0.198 0.000 2.426 484 K HA 0.482 4.802 4.320 0.000 0.000 0.251 484 K C -1.077 175.680 176.600 0.262 0.000 0.941 484 K CA -0.933 55.490 56.287 0.227 0.000 0.808 484 K CB 2.363 35.001 32.500 0.232 0.000 1.265 484 K HN 0.169 nan 8.250 nan 0.000 0.432 485 L N 3.920 125.241 121.223 0.164 0.000 2.305 485 L HA 0.565 4.905 4.340 0.000 0.000 0.284 485 L C -1.335 175.476 176.870 -0.098 0.000 1.013 485 L CA -0.095 54.668 54.840 -0.129 0.000 0.819 485 L CB 0.547 42.528 42.059 -0.130 0.000 1.227 485 L HN 0.712 nan 8.230 nan 0.000 0.417 486 W N 3.693 124.718 121.300 -0.459 0.000 3.017 486 W HA 0.650 5.310 4.660 -0.000 0.000 0.341 486 W C -2.181 173.915 176.519 -0.706 0.000 1.180 486 W CA -1.209 55.926 57.345 -0.351 0.000 1.097 486 W CB 0.966 30.363 29.460 -0.105 0.000 1.468 486 W HN 0.337 nan 8.180 nan 0.000 0.584 487 F N 1.545 121.686 119.950 0.317 0.000 2.518 487 F HA 0.325 4.852 4.527 0.000 0.000 0.323 487 F C 0.764 176.724 175.800 0.267 0.000 1.129 487 F CA -0.906 57.160 58.000 0.111 0.000 0.920 487 F CB 2.107 41.154 39.000 0.078 0.000 1.160 487 F HN 0.265 nan 8.300 nan 0.000 0.440 488 S N 1.220 117.064 115.700 0.239 0.000 2.562 488 S HA 0.039 4.509 4.470 0.000 0.000 0.281 488 S C 0.816 175.566 174.600 0.249 0.000 1.333 488 S CA -0.496 57.876 58.200 0.286 0.000 1.052 488 S CB 0.352 63.625 63.200 0.121 0.000 0.884 488 S HN 0.690 nan 8.310 nan 0.000 0.506 489 D N 3.038 123.573 120.400 0.225 0.000 2.340 489 D HA 0.086 4.726 4.640 0.000 0.000 0.220 489 D C 0.982 177.345 176.300 0.105 0.000 1.039 489 D CA 0.510 54.596 54.000 0.143 0.000 0.866 489 D CB 0.156 41.022 40.800 0.110 0.000 0.913 489 D HN 0.520 nan 8.370 nan 0.000 0.523 490 K N -0.398 120.069 120.400 0.111 0.000 2.485 490 K HA 0.131 4.451 4.320 0.000 0.000 0.200 490 K C 0.060 176.704 176.600 0.073 0.000 1.344 490 K CA -0.226 56.110 56.287 0.082 0.000 0.948 490 K CB 0.923 33.471 32.500 0.080 0.000 1.454 490 K HN -0.059 nan 8.250 nan 0.000 0.502 491 I N 3.512 124.128 120.570 0.077 0.000 2.428 491 I HA 0.103 4.273 4.170 0.000 0.000 0.289 491 I C 0.468 176.623 176.117 0.063 0.000 1.019 491 I CA 0.077 61.411 61.300 0.057 0.000 1.351 491 I CB 1.063 39.085 38.000 0.036 0.000 1.412 491 I HN 0.239 nan 8.210 nan 0.000 0.513 492 T N 1.380 115.968 114.554 0.057 0.000 2.912 492 T HA 0.566 4.916 4.350 0.000 0.000 0.288 492 T C -0.304 174.435 174.700 0.066 0.000 1.030 492 T CA -0.931 61.210 62.100 0.068 0.000 1.020 492 T CB 2.331 71.236 68.868 0.062 0.000 1.056 492 T HN 0.547 nan 8.240 nan 0.000 0.480 493 D N 1.062 121.519 120.400 0.094 0.000 2.469 493 D HA 0.445 5.085 4.640 0.000 0.000 0.278 493 D C 1.624 177.978 176.300 0.089 0.000 1.231 493 D CA -0.430 53.634 54.000 0.106 0.000 1.075 493 D CB -0.080 40.819 40.800 0.165 0.000 1.121 493 D HN 0.635 nan 8.370 nan 0.000 0.571 494 A N -1.449 121.427 122.820 0.093 0.000 2.121 494 A HA -0.104 4.216 4.320 0.000 0.000 0.218 494 A C 1.081 178.540 177.584 -0.208 0.000 1.154 494 A CA 0.858 52.866 52.037 -0.049 0.000 0.679 494 A CB -0.924 18.036 19.000 -0.068 0.000 0.795 494 A HN 0.538 nan 8.150 nan 0.000 0.458 495 Y N -1.130 119.190 120.300 0.034 0.000 2.658 495 Y HA 0.254 4.804 4.550 0.000 0.000 0.276 495 Y C 0.703 176.631 175.900 0.047 0.000 1.167 495 Y CA -0.399 57.722 58.100 0.035 0.000 1.230 495 Y CB -0.527 37.939 38.460 0.009 0.000 1.144 495 Y HN 0.437 nan 8.280 nan 0.000 0.529 496 N N 0.182 118.956 118.700 0.123 0.000 2.735 496 N HA -0.183 4.557 4.740 0.000 0.000 0.248 496 N C -0.663 174.905 175.510 0.097 0.000 1.083 496 N CA 0.554 53.658 53.050 0.090 0.000 0.703 496 N CB -0.410 38.116 38.487 0.065 0.000 1.005 496 N HN 0.160 nan 8.380 nan 0.000 0.550 497 M N -0.352 119.321 119.600 0.122 0.000 2.644 497 M HA 0.434 4.914 4.480 0.000 0.000 0.316 497 M C -2.148 174.220 176.300 0.113 0.000 1.200 497 M CA -2.008 53.351 55.300 0.099 0.000 0.944 497 M CB 0.871 33.528 32.600 0.095 0.000 1.691 497 M HN -0.257 nan 8.290 nan 0.000 0.471 498 P HA -0.027 nan 4.420 nan 0.000 0.261 498 P C -0.606 176.851 177.300 0.262 0.000 1.183 498 P CA 0.143 63.345 63.100 0.169 0.000 0.761 498 P CB 0.199 32.002 31.700 0.172 0.000 0.785 499 Q N 7.076 126.970 119.800 0.158 0.000 2.271 499 Q HA 0.117 4.457 4.340 0.000 0.000 0.273 499 Q C -2.181 173.778 176.000 -0.069 0.000 1.051 499 Q CA -1.813 54.026 55.803 0.060 0.000 0.901 499 Q CB -0.300 28.427 28.738 -0.017 0.000 1.174 499 Q HN 0.307 nan 8.270 nan 0.000 0.385 500 P HA 0.068 nan 4.420 nan 0.000 0.268 500 P C -1.024 175.782 177.300 -0.823 0.000 1.205 500 P CA -0.064 62.608 63.100 -0.713 0.000 0.771 500 P CB 0.943 32.311 31.700 -0.554 0.000 0.858 501 T N 3.031 116.870 114.554 -1.191 0.000 2.921 501 T HA 0.499 4.849 4.350 0.000 0.000 0.297 501 T C -0.565 173.453 174.700 -1.137 0.000 1.013 501 T CA -0.113 61.291 62.100 -1.161 0.000 0.990 501 T CB 0.516 68.383 68.868 -1.667 0.000 1.023 501 T HN 0.070 nan 8.240 nan 0.000 0.447 502 F N 1.806 121.476 119.950 -0.467 0.000 2.425 502 F HA 0.540 5.067 4.527 0.000 0.000 0.331 502 F C 0.661 176.411 175.800 -0.084 0.000 1.085 502 F CA -0.892 56.960 58.000 -0.246 0.000 1.028 502 F CB 1.132 40.038 39.000 -0.157 0.000 1.177 502 F HN 0.393 nan 8.300 nan 0.000 0.487 503 D N 3.026 123.599 120.400 0.289 0.000 2.375 503 D HA 0.231 4.871 4.640 0.000 0.000 0.259 503 D C -1.790 174.649 176.300 0.233 0.000 1.235 503 D CA -0.075 54.080 54.000 0.258 0.000 0.924 503 D CB 0.433 41.415 40.800 0.304 0.000 1.143 503 D HN 0.301 nan 8.370 nan 0.000 0.529 504 F N 3.228 123.174 119.950 -0.007 0.000 2.581 504 F HA 0.585 5.112 4.527 0.000 0.000 0.311 504 F C -1.242 174.454 175.800 -0.173 0.000 1.113 504 F CA -0.591 57.340 58.000 -0.116 0.000 0.935 504 F CB 1.388 40.255 39.000 -0.222 0.000 1.232 504 F HN 0.021 nan 8.300 nan 0.000 0.445 505 R N 4.305 124.261 120.500 -0.906 0.000 2.698 505 R HA 0.344 4.684 4.340 0.000 0.000 0.275 505 R C -1.684 173.965 176.300 -1.084 0.000 1.001 505 R CA -0.943 54.736 56.100 -0.701 0.000 0.896 505 R CB 1.687 31.810 30.300 -0.295 0.000 1.218 505 R HN 0.587 nan 8.270 nan 0.000 0.462 506 F N 2.906 122.622 119.950 -0.390 0.000 2.578 506 F HA 0.173 4.700 4.527 0.000 0.000 0.381 506 F C -1.313 174.362 175.800 -0.209 0.000 1.069 506 F CA -1.066 56.796 58.000 -0.230 0.000 1.231 506 F CB -0.130 38.862 39.000 -0.013 0.000 1.086 506 F HN 0.128 nan 8.300 nan 0.000 0.564 507 P HA 0.118 nan 4.420 nan 0.000 0.267 507 P C -0.543 176.771 177.300 0.023 0.000 1.200 507 P CA -0.224 62.856 63.100 -0.033 0.000 0.772 507 P CB 0.550 32.242 31.700 -0.014 0.000 0.855 508 A N 2.448 125.267 122.820 -0.002 0.000 2.429 508 A HA 0.523 4.843 4.320 0.000 0.000 0.242 508 A C 1.154 178.752 177.584 0.024 0.000 1.088 508 A CA 0.829 52.871 52.037 0.009 0.000 0.784 508 A CB -1.081 17.916 19.000 -0.004 0.000 1.038 508 A HN 0.837 nan 8.150 nan 0.000 0.501 509 G N 0.103 108.919 108.800 0.026 0.000 2.496 509 G HA2 -0.275 3.685 3.960 0.000 0.000 0.243 509 G HA3 -0.275 3.685 3.960 0.000 0.000 0.243 509 G C 1.068 175.999 174.900 0.051 0.000 1.176 509 G CA 0.835 45.956 45.100 0.036 0.000 0.940 509 G HN 1.065 nan 8.290 nan 0.000 0.573 510 R N -0.144 120.393 120.500 0.062 0.000 2.096 510 R HA -0.098 4.242 4.340 0.000 0.000 0.240 510 R C 2.813 179.172 176.300 0.099 0.000 1.139 510 R CA 2.819 58.967 56.100 0.080 0.000 0.952 510 R CB -0.936 29.414 30.300 0.083 0.000 0.854 510 R HN 0.634 nan 8.270 nan 0.000 0.436 511 T N 0.040 114.656 114.554 0.103 0.000 2.684 511 T HA -0.117 4.233 4.350 0.000 0.000 0.267 511 T C 1.929 176.684 174.700 0.093 0.000 1.036 511 T CA 1.878 64.054 62.100 0.127 0.000 1.148 511 T CB -0.181 68.780 68.868 0.156 0.000 0.863 511 T HN 0.288 nan 8.240 nan 0.000 0.436 512 S N 0.543 116.281 115.700 0.063 0.000 2.387 512 S HA 0.001 4.471 4.470 0.000 0.000 0.226 512 S C 2.003 176.615 174.600 0.020 0.000 1.026 512 S CA 0.864 59.071 58.200 0.012 0.000 0.972 512 S CB -0.150 63.051 63.200 0.002 0.000 0.814 512 S HN 0.512 nan 8.310 nan 0.000 0.477 513 K N 1.519 121.947 120.400 0.048 0.000 2.026 513 K HA -0.123 4.197 4.320 0.000 0.000 0.208 513 K C 1.905 178.564 176.600 0.097 0.000 1.048 513 K CA 1.468 57.791 56.287 0.061 0.000 0.929 513 K CB -0.103 32.437 32.500 0.067 0.000 0.713 513 K HN 0.334 nan 8.250 nan 0.000 0.439 514 E N -0.091 120.194 120.200 0.141 0.000 2.106 514 E HA -0.170 4.180 4.350 0.000 0.000 0.192 514 E C 1.987 178.685 176.600 0.164 0.000 0.984 514 E CA 0.885 57.429 56.400 0.242 0.000 0.806 514 E CB -0.109 29.767 29.700 0.293 0.000 0.750 514 E HN 0.464 nan 8.360 nan 0.000 0.458 515 A N 1.439 124.323 122.820 0.107 0.000 1.883 515 A HA -0.269 4.051 4.320 0.000 0.000 0.217 515 A C 2.093 179.754 177.584 0.128 0.000 1.186 515 A CA 1.914 54.010 52.037 0.098 0.000 0.624 515 A CB -0.402 18.611 19.000 0.023 0.000 0.822 515 A HN 0.150 nan 8.150 nan 0.000 0.444 516 E N 0.321 120.574 120.200 0.087 0.000 2.107 516 E HA -0.129 4.221 4.350 0.000 0.000 0.191 516 E C 1.289 177.873 176.600 -0.026 0.000 0.982 516 E CA 1.388 57.835 56.400 0.080 0.000 0.809 516 E CB -0.298 29.422 29.700 0.034 0.000 0.756 516 E HN 0.510 nan 8.360 nan 0.000 0.459 517 D N -0.122 120.260 120.400 -0.030 0.000 2.178 517 D HA -0.170 4.470 4.640 0.000 0.000 0.201 517 D C 1.858 177.900 176.300 -0.431 0.000 0.980 517 D CA 1.091 55.055 54.000 -0.061 0.000 0.842 517 D CB -0.265 40.637 40.800 0.170 0.000 0.948 517 D HN 0.325 nan 8.370 nan 0.000 0.472 518 M N -0.382 118.757 119.600 -0.768 0.000 2.156 518 M HA -0.150 4.330 4.480 0.000 0.000 0.264 518 M C 2.010 177.894 176.300 -0.694 0.000 1.067 518 M CA 1.057 55.556 55.300 -1.335 0.000 1.131 518 M CB 0.041 32.112 32.600 -0.881 0.000 1.368 518 M HN -0.047 nan 8.290 nan 0.000 0.416 519 M N 0.391 119.715 119.600 -0.461 0.000 2.080 519 M HA -0.154 4.326 4.480 0.000 0.000 0.260 519 M C 1.765 177.858 176.300 -0.345 0.000 1.068 519 M CA 2.353 57.389 55.300 -0.440 0.000 1.109 519 M CB -0.933 31.488 32.600 -0.298 0.000 1.342 519 M HN 0.251 nan 8.290 nan 0.000 0.405 520 T N 0.036 114.453 114.554 -0.229 0.000 2.720 520 T HA -0.172 4.178 4.350 0.000 0.000 0.268 520 T C 1.500 176.124 174.700 -0.128 0.000 1.037 520 T CA 1.819 63.836 62.100 -0.138 0.000 1.144 520 T CB -0.634 68.197 68.868 -0.062 0.000 0.864 520 T HN 0.515 nan 8.240 nan 0.000 0.444 521 D N 0.531 120.849 120.400 -0.137 0.000 2.123 521 D HA -0.087 4.553 4.640 0.000 0.000 0.196 521 D C 2.057 178.339 176.300 -0.030 0.000 0.992 521 D CA 0.946 54.974 54.000 0.047 0.000 0.833 521 D CB -0.230 40.706 40.800 0.226 0.000 0.954 521 D HN 0.284 nan 8.370 nan 0.000 0.455 522 M N -0.487 118.848 119.600 -0.440 0.000 2.117 522 M HA -0.191 4.289 4.480 0.000 0.000 0.262 522 M C 2.032 178.035 176.300 -0.494 0.000 1.065 522 M CA 1.362 56.144 55.300 -0.864 0.000 1.114 522 M CB -0.178 31.660 32.600 -1.270 0.000 1.361 522 M HN 0.206 nan 8.290 nan 0.000 0.408 523 C N -0.330 118.780 119.300 -0.316 0.000 2.413 523 C HA -0.145 4.315 4.460 0.000 0.000 0.276 523 C C 2.669 177.562 174.990 -0.161 0.000 1.236 523 C CA 1.052 59.989 59.018 -0.134 0.000 1.735 523 C CB -1.102 26.609 27.740 -0.050 0.000 2.031 523 C HN 0.512 nan 8.230 nan 0.000 0.474 524 V N 0.399 120.251 119.914 -0.104 0.000 2.358 524 V HA -0.274 3.846 4.120 0.000 0.000 0.246 524 V C 2.362 178.436 176.094 -0.034 0.000 1.047 524 V CA 2.259 64.531 62.300 -0.047 0.000 1.035 524 V CB -0.642 31.204 31.823 0.038 0.000 0.658 524 V HN 0.599 nan 8.190 nan 0.000 0.452 525 M N 0.673 120.285 119.600 0.021 0.000 2.156 525 M HA -0.139 4.341 4.480 0.000 0.000 0.264 525 M C 2.461 178.643 176.300 -0.197 0.000 1.067 525 M CA 2.144 57.534 55.300 0.150 0.000 1.131 525 M CB -0.155 32.685 32.600 0.400 0.000 1.368 525 M HN 0.538 nan 8.290 nan 0.000 0.416 526 S N 0.616 115.877 115.700 -0.731 0.000 2.399 526 S HA -0.059 4.411 4.470 0.000 0.000 0.231 526 S C 1.990 176.190 174.600 -0.666 0.000 1.022 526 S CA 0.980 58.330 58.200 -1.418 0.000 0.983 526 S CB -0.874 61.273 63.200 -1.755 0.000 0.803 526 S HN 0.570 nan 8.310 nan 0.000 0.480 527 A N 2.107 124.646 122.820 -0.469 0.000 2.070 527 A HA -0.034 4.286 4.320 0.000 0.000 0.220 527 A C 2.156 179.614 177.584 -0.210 0.000 1.159 527 A CA 1.420 53.238 52.037 -0.365 0.000 0.656 527 A CB -0.563 18.254 19.000 -0.305 0.000 0.800 527 A HN 0.641 nan 8.150 nan 0.000 0.453 528 K N -0.698 119.623 120.400 -0.132 0.000 2.362 528 K HA 0.032 4.352 4.320 0.000 0.000 0.200 528 K C 1.125 177.720 176.600 -0.008 0.000 1.046 528 K CA 0.777 57.036 56.287 -0.046 0.000 0.952 528 K CB 0.015 32.528 32.500 0.022 0.000 0.753 528 K HN 0.422 nan 8.250 nan 0.000 0.466 529 I N -0.931 119.645 120.570 0.010 0.000 3.445 529 I HA 0.171 4.341 4.170 0.000 0.000 0.288 529 I C 1.081 177.211 176.117 0.022 0.000 1.198 529 I CA 0.534 61.889 61.300 0.091 0.000 1.417 529 I CB 0.141 38.338 38.000 0.328 0.000 1.205 529 I HN 0.092 nan 8.210 nan 0.000 0.448 530 G N -0.503 108.256 108.800 -0.069 0.000 2.356 530 G HA2 0.464 4.424 3.960 0.000 0.000 0.294 530 G HA3 0.464 4.424 3.960 0.000 0.000 0.294 530 G C -0.659 174.093 174.900 -0.247 0.000 1.423 530 G CA -0.149 44.886 45.100 -0.109 0.000 0.806 530 G HN 0.264 nan 8.290 nan 0.000 0.527 531 G N -1.066 107.588 108.800 -0.244 0.000 2.572 531 G HA2 0.526 4.486 3.960 0.000 0.000 0.261 531 G HA3 0.526 4.486 3.960 0.000 0.000 0.261 531 G C -0.197 174.512 174.900 -0.319 0.000 1.197 531 G CA -0.471 44.396 45.100 -0.388 0.000 0.870 531 G HN 0.448 nan 8.290 nan 0.000 0.548 532 F N -0.646 119.209 119.950 -0.158 0.000 2.563 532 F HA 0.152 4.679 4.527 0.000 0.000 0.363 532 F C 0.762 176.502 175.800 -0.100 0.000 1.123 532 F CA -0.712 57.189 58.000 -0.165 0.000 1.307 532 F CB 0.525 39.420 39.000 -0.175 0.000 1.115 532 F HN 0.155 nan 8.300 nan 0.000 0.592 533 L N 6.222 127.515 121.223 0.116 0.000 2.369 533 L HA 0.364 4.704 4.340 0.000 0.000 0.279 533 L C -2.344 174.574 176.870 0.079 0.000 1.108 533 L CA -2.063 52.822 54.840 0.075 0.000 0.852 533 L CB -0.150 41.947 42.059 0.064 0.000 1.169 533 L HN 0.285 nan 8.230 nan 0.000 0.452 534 P HA 0.150 nan 4.420 nan 0.000 0.263 534 P C 0.678 178.028 177.300 0.083 0.000 1.175 534 P CA 1.154 64.294 63.100 0.067 0.000 0.761 534 P CB 0.531 32.265 31.700 0.057 0.000 0.794 535 G N 1.990 110.833 108.800 0.071 0.000 2.199 535 G HA2 -0.239 3.721 3.960 0.000 0.000 0.254 535 G HA3 -0.239 3.721 3.960 0.000 0.000 0.254 535 G C 0.470 175.453 174.900 0.138 0.000 0.982 535 G CA 0.241 45.401 45.100 0.101 0.000 0.632 535 G HN 0.534 nan 8.290 nan 0.000 0.529 536 S N 0.636 116.390 115.700 0.090 0.000 2.526 536 S HA 0.514 4.984 4.470 0.000 0.000 0.220 536 S C 0.401 174.919 174.600 -0.137 0.000 1.159 536 S CA -0.545 57.696 58.200 0.068 0.000 1.196 536 S CB 0.281 63.494 63.200 0.021 0.000 1.225 536 S HN 0.464 nan 8.310 nan 0.000 0.432 537 L N 2.340 123.472 121.223 -0.153 0.000 2.456 537 L HA 0.407 4.747 4.340 0.000 0.000 0.257 537 L C -2.094 174.483 176.870 -0.489 0.000 1.162 537 L CA -2.416 52.193 54.840 -0.386 0.000 0.808 537 L CB -0.010 41.885 42.059 -0.273 0.000 1.136 537 L HN 0.062 nan 8.230 nan 0.000 0.466 538 P HA -0.011 nan 4.420 nan 0.000 0.263 538 P C -1.404 175.674 177.300 -0.369 0.000 1.195 538 P CA 0.189 62.908 63.100 -0.636 0.000 0.762 538 P CB 0.360 31.601 31.700 -0.766 0.000 0.799 539 Q N 1.865 121.495 119.800 -0.283 0.000 2.472 539 Q HA 0.469 4.809 4.340 0.000 0.000 0.281 539 Q C -1.409 174.459 176.000 -0.220 0.000 0.997 539 Q CA -0.898 54.817 55.803 -0.147 0.000 0.828 539 Q CB 0.739 29.464 28.738 -0.021 0.000 1.443 539 Q HN 0.089 nan 8.270 nan 0.000 0.390 540 F N 1.747 121.644 119.950 -0.088 0.000 2.443 540 F HA 0.265 4.792 4.527 0.000 0.000 0.353 540 F C 0.693 176.461 175.800 -0.053 0.000 1.101 540 F CA -0.251 57.697 58.000 -0.086 0.000 1.226 540 F CB 0.877 39.815 39.000 -0.104 0.000 1.140 540 F HN 0.380 nan 8.300 nan 0.000 0.557 541 M N 1.919 121.560 119.600 0.070 0.000 2.255 541 M HA 0.107 4.587 4.480 0.000 0.000 0.336 541 M C 0.305 176.648 176.300 0.071 0.000 1.135 541 M CA -0.345 54.972 55.300 0.028 0.000 1.145 541 M CB 0.537 33.109 32.600 -0.046 0.000 1.473 541 M HN 0.600 nan 8.290 nan 0.000 0.462 542 E N 2.931 123.147 120.200 0.027 0.000 2.568 542 E HA -0.009 4.341 4.350 0.000 0.000 0.262 542 E C -2.181 174.443 176.600 0.040 0.000 0.961 542 E CA -1.134 55.282 56.400 0.026 0.000 0.945 542 E CB 0.360 30.050 29.700 -0.017 0.000 0.924 542 E HN 0.210 nan 8.360 nan 0.000 0.467 543 P HA 0.058 nan 4.420 nan 0.000 0.267 543 P C 0.274 177.515 177.300 -0.099 0.000 1.209 543 P CA 1.014 64.161 63.100 0.079 0.000 0.763 543 P CB 0.773 32.505 31.700 0.054 0.000 0.816 544 G N 2.409 111.151 108.800 -0.097 0.000 2.199 544 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 544 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 544 G C 0.743 175.591 174.900 -0.087 0.000 0.982 544 G CA 0.131 45.129 45.100 -0.170 0.000 0.632 544 G HN 0.507 nan 8.290 nan 0.000 0.529 545 L N 0.960 122.151 121.223 -0.054 0.000 2.131 545 L HA 0.133 4.473 4.340 0.000 0.000 0.210 545 L C 2.888 179.735 176.870 -0.038 0.000 1.092 545 L CA 2.366 57.178 54.840 -0.048 0.000 0.759 545 L CB -0.510 41.515 42.059 -0.057 0.000 0.903 545 L HN 0.497 nan 8.230 nan 0.000 0.435 546 V N -0.020 119.874 119.914 -0.034 0.000 2.453 546 V HA -0.225 3.895 4.120 0.000 0.000 0.252 546 V C 1.551 177.575 176.094 -0.118 0.000 1.068 546 V CA 1.477 63.735 62.300 -0.070 0.000 1.070 546 V CB -0.255 31.560 31.823 -0.014 0.000 0.664 546 V HN 0.496 nan 8.190 nan 0.000 0.461 547 L N -0.018 121.200 121.223 -0.009 0.000 3.597 547 L HA -0.238 4.102 4.340 0.000 0.000 0.440 547 L C 0.305 177.339 176.870 0.274 0.000 1.277 547 L CA 0.902 55.797 54.840 0.092 0.000 0.852 547 L CB -2.515 39.606 42.059 0.104 0.000 1.708 547 L HN 0.587 nan 8.230 nan 0.000 0.885 548 H N -0.662 118.506 119.070 0.163 0.000 2.467 548 H HA 0.279 4.835 4.556 0.000 0.000 0.275 548 H C 0.490 175.955 175.328 0.229 0.000 1.131 548 H CA -1.057 55.133 56.048 0.237 0.000 0.989 548 H CB 0.736 30.678 29.762 0.299 0.000 1.696 548 H HN 0.202 nan 8.280 nan 0.000 0.574 549 L N 1.966 123.332 121.223 0.239 0.000 2.513 549 L HA 0.211 4.551 4.340 0.000 0.000 0.272 549 L C 0.614 177.614 176.870 0.216 0.000 1.187 549 L CA 0.718 55.647 54.840 0.148 0.000 0.895 549 L CB 0.329 42.435 42.059 0.080 0.000 1.147 549 L HN 0.286 nan 8.230 nan 0.000 0.483 550 G N 1.890 110.830 108.800 0.233 0.000 2.733 550 G HA2 0.534 4.494 3.960 0.000 0.000 0.288 550 G HA3 0.534 4.494 3.960 0.000 0.000 0.288 550 G C 0.307 175.309 174.900 0.171 0.000 1.373 550 G CA -0.297 44.963 45.100 0.266 0.000 0.895 550 G HN 1.274 nan 8.290 nan 0.000 0.479 551 G N -1.280 107.590 108.800 0.116 0.000 2.162 551 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 551 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 551 G C 1.314 176.274 174.900 0.100 0.000 0.976 551 G CA 1.637 46.809 45.100 0.120 0.000 0.655 551 G HN 1.851 nan 8.290 nan 0.000 0.533 552 T N -2.122 112.439 114.554 0.010 0.000 2.995 552 T HA 0.148 4.498 4.350 0.000 0.000 0.269 552 T C 1.101 175.880 174.700 0.131 0.000 1.091 552 T CA 1.820 63.968 62.100 0.081 0.000 1.128 552 T CB -0.239 68.685 68.868 0.093 0.000 0.891 552 T HN 1.452 nan 8.240 nan 0.000 0.492 553 H N -0.004 119.139 119.070 0.121 0.000 2.712 553 H HA 0.467 5.023 4.556 0.000 0.000 0.226 553 H C -0.092 175.275 175.328 0.064 0.000 1.422 553 H CA -1.349 54.745 56.048 0.077 0.000 1.270 553 H CB -0.322 29.453 29.762 0.022 0.000 1.891 553 H HN 0.342 nan 8.280 nan 0.000 0.518 554 R N 0.624 121.203 120.500 0.132 0.000 2.641 554 R HA 0.293 4.633 4.340 0.000 0.000 0.269 554 R C -0.297 176.059 176.300 0.093 0.000 1.074 554 R CA -0.719 55.431 56.100 0.083 0.000 1.133 554 R CB 0.971 31.309 30.300 0.063 0.000 1.029 554 R HN 0.468 nan 8.270 nan 0.000 0.488 555 M N 1.394 121.026 119.600 0.053 0.000 2.274 555 M HA 0.436 4.916 4.480 0.000 0.000 0.344 555 M C -0.529 175.765 176.300 -0.011 0.000 1.161 555 M CA 0.230 55.537 55.300 0.012 0.000 1.126 555 M CB 1.527 34.112 32.600 -0.026 0.000 1.522 555 M HN 0.939 nan 8.290 nan 0.000 0.461 556 G N 2.214 111.018 108.800 0.007 0.000 2.600 556 G HA2 0.438 4.398 3.960 0.000 0.000 0.293 556 G HA3 0.438 4.398 3.960 0.000 0.000 0.293 556 G C -0.921 173.970 174.900 -0.015 0.000 1.408 556 G CA -0.678 44.383 45.100 -0.066 0.000 0.782 556 G HN 0.683 nan 8.290 nan 0.000 0.482 557 F N -0.096 119.952 119.950 0.162 0.000 2.187 557 F HA 0.256 4.783 4.527 0.000 0.000 0.295 557 F C 1.092 177.006 175.800 0.190 0.000 1.091 557 F CA 0.988 59.084 58.000 0.161 0.000 1.308 557 F CB 0.355 39.410 39.000 0.091 0.000 1.030 557 F HN 0.361 nan 8.300 nan 0.000 0.487 558 D N -0.883 119.664 120.400 0.246 0.000 2.629 558 D HA 0.130 4.770 4.640 0.000 0.000 0.250 558 D C 0.771 176.900 176.300 -0.285 0.000 1.126 558 D CA -0.231 53.751 54.000 -0.029 0.000 0.852 558 D CB 1.313 42.116 40.800 0.005 0.000 1.335 558 D HN 0.100 nan 8.370 nan 0.000 0.518 559 E N 3.150 122.835 120.200 -0.859 0.000 2.086 559 E HA -0.297 4.053 4.350 0.000 0.000 0.200 559 E C 1.283 177.706 176.600 -0.296 0.000 1.012 559 E CA 1.344 57.244 56.400 -0.835 0.000 0.812 559 E CB 0.277 29.355 29.700 -1.037 0.000 0.743 559 E HN 0.437 nan 8.360 nan 0.000 0.453 560 K N -0.035 120.239 120.400 -0.210 0.000 2.067 560 K HA -0.101 4.219 4.320 0.000 0.000 0.203 560 K C 1.977 178.545 176.600 -0.054 0.000 1.048 560 K CA 1.252 57.483 56.287 -0.093 0.000 0.954 560 K CB 0.102 32.563 32.500 -0.066 0.000 0.737 560 K HN 0.071 nan 8.250 nan 0.000 0.444 561 E N 0.287 120.459 120.200 -0.048 0.000 2.216 561 E HA -0.099 4.251 4.350 0.000 0.000 0.192 561 E C 0.578 177.175 176.600 -0.005 0.000 0.988 561 E CA 0.869 57.263 56.400 -0.010 0.000 0.834 561 E CB 0.260 29.964 29.700 0.008 0.000 0.772 561 E HN 0.316 nan 8.360 nan 0.000 0.479 562 D N 0.345 120.734 120.400 -0.019 0.000 2.368 562 D HA 0.051 4.691 4.640 0.000 0.000 0.218 562 D C -0.665 175.567 176.300 -0.113 0.000 1.112 562 D CA -0.030 53.953 54.000 -0.029 0.000 0.834 562 D CB 0.066 40.884 40.800 0.029 0.000 0.953 562 D HN 0.068 nan 8.370 nan 0.000 0.505 563 N N 0.797 119.426 118.700 -0.117 0.000 2.669 563 N HA -0.199 4.541 4.740 0.000 0.000 0.266 563 N C -0.180 175.232 175.510 -0.163 0.000 1.024 563 N CA 0.585 53.539 53.050 -0.160 0.000 0.766 563 N CB -1.344 36.932 38.487 -0.351 0.000 0.898 563 N HN 0.425 nan 8.380 nan 0.000 0.548 564 C N -3.275 116.014 119.300 -0.019 0.000 3.213 564 C HA 0.784 5.244 4.460 0.000 0.000 0.319 564 C C 1.326 176.484 174.990 0.281 0.000 1.386 564 C CA -0.659 58.421 59.018 0.104 0.000 1.494 564 C CB 1.589 29.409 27.740 0.133 0.000 1.905 564 C HN 0.496 nan 8.230 nan 0.000 0.456 565 C N 0.177 119.678 119.300 0.335 0.000 3.095 565 C HA 0.485 4.945 4.460 0.000 0.000 0.472 565 C C 0.682 175.766 174.990 0.157 0.000 1.348 565 C CA 0.653 59.864 59.018 0.321 0.000 2.206 565 C CB -0.256 27.594 27.740 0.184 0.000 3.088 565 C HN 0.962 nan 8.230 nan 0.000 0.599 566 V N 1.457 121.341 119.914 -0.051 0.000 3.001 566 V HA 0.723 4.843 4.120 0.000 0.000 0.314 566 V C -0.718 175.000 176.094 -0.627 0.000 1.099 566 V CA -0.620 61.400 62.300 -0.466 0.000 0.989 566 V CB 1.521 33.212 31.823 -0.220 0.000 1.040 566 V HN 0.430 nan 8.190 nan 0.000 0.434 567 N N 0.724 118.906 118.700 -0.863 0.000 2.431 567 N HA 0.258 4.998 4.740 0.000 0.000 0.289 567 N C 1.102 176.475 175.510 -0.228 0.000 1.277 567 N CA 0.212 53.007 53.050 -0.424 0.000 0.972 567 N CB -0.139 38.142 38.487 -0.343 0.000 1.143 567 N HN 0.930 nan 8.380 nan 0.000 0.578 568 T N -4.595 109.875 114.554 -0.139 0.000 3.072 568 T HA -0.020 4.330 4.350 0.000 0.000 0.266 568 T C 0.153 174.777 174.700 -0.127 0.000 1.127 568 T CA 0.747 62.767 62.100 -0.135 0.000 1.107 568 T CB -0.442 68.369 68.868 -0.095 0.000 0.910 568 T HN 0.447 nan 8.240 nan 0.000 0.513 569 D N 1.100 121.413 120.400 -0.145 0.000 2.328 569 D HA 0.175 4.816 4.640 0.000 0.000 0.221 569 D C 0.519 176.826 176.300 0.011 0.000 1.072 569 D CA 0.171 54.101 54.000 -0.117 0.000 0.850 569 D CB 0.099 40.704 40.800 -0.324 0.000 0.922 569 D HN 0.368 nan 8.370 nan 0.000 0.516 570 S N 0.244 115.922 115.700 -0.037 0.000 3.476 570 S HA -0.253 4.217 4.470 0.000 0.000 0.309 570 S C 0.544 175.154 174.600 0.016 0.000 1.222 570 S CA 0.434 58.651 58.200 0.029 0.000 0.922 570 S CB -1.384 61.906 63.200 0.149 0.000 1.023 570 S HN 0.467 nan 8.310 nan 0.000 0.591 571 R N 1.127 121.505 120.500 -0.203 0.000 2.308 571 R HA 0.474 4.814 4.340 0.000 0.000 0.305 571 R C -0.031 175.942 176.300 -0.543 0.000 1.053 571 R CA -0.419 55.345 56.100 -0.560 0.000 0.957 571 R CB 0.686 30.626 30.300 -0.601 0.000 1.022 571 R HN 0.139 nan 8.270 nan 0.000 0.461 572 V N 6.070 125.695 119.914 -0.481 0.000 2.529 572 V HA 0.017 4.137 4.120 0.000 0.000 0.292 572 V C 0.143 176.152 176.094 -0.142 0.000 1.028 572 V CA 0.190 62.294 62.300 -0.328 0.000 1.074 572 V CB -0.005 31.616 31.823 -0.337 0.000 0.958 572 V HN 0.562 nan 8.190 nan 0.000 0.481 573 F N 3.647 123.629 119.950 0.053 0.000 2.608 573 F HA 0.409 4.936 4.527 0.000 0.000 0.380 573 F C 1.565 177.487 175.800 0.203 0.000 1.083 573 F CA 1.406 59.463 58.000 0.096 0.000 1.266 573 F CB 0.033 39.084 39.000 0.086 0.000 1.076 573 F HN 0.790 nan 8.300 nan 0.000 0.574 574 G N 2.207 111.185 108.800 0.296 0.000 2.225 574 G HA2 -0.303 3.657 3.960 0.000 0.000 0.254 574 G HA3 -0.303 3.657 3.960 0.000 0.000 0.254 574 G C -0.178 174.657 174.900 -0.107 0.000 0.988 574 G CA -0.455 44.714 45.100 0.116 0.000 0.625 574 G HN 0.448 nan 8.290 nan 0.000 0.527 575 F N 0.852 120.827 119.950 0.042 0.000 2.449 575 F HA 0.576 5.103 4.527 0.000 0.000 0.342 575 F C 1.302 177.086 175.800 -0.026 0.000 1.127 575 F CA -0.978 57.031 58.000 0.015 0.000 0.975 575 F CB 1.708 40.715 39.000 0.011 0.000 1.146 575 F HN -0.212 nan 8.300 nan 0.000 0.444 576 K N 1.745 122.235 120.400 0.150 0.000 2.147 576 K HA -0.132 4.188 4.320 0.000 0.000 0.205 576 K C 0.912 177.711 176.600 0.332 0.000 1.049 576 K CA 1.376 57.791 56.287 0.213 0.000 0.936 576 K CB 0.060 32.690 32.500 0.217 0.000 0.722 576 K HN 0.693 nan 8.250 nan 0.000 0.446 577 N N -0.300 118.564 118.700 0.272 0.000 2.240 577 N HA 0.011 4.751 4.740 0.000 0.000 0.240 577 N C -0.596 175.018 175.510 0.174 0.000 1.277 577 N CA -0.312 52.942 53.050 0.341 0.000 0.873 577 N CB -0.051 38.684 38.487 0.413 0.000 1.222 577 N HN -0.069 nan 8.380 nan 0.000 0.507 578 L N 0.673 121.806 121.223 -0.149 0.000 2.341 578 L HA 0.714 5.054 4.340 0.000 0.000 0.278 578 L C -1.725 174.765 176.870 -0.633 0.000 1.005 578 L CA -0.593 54.114 54.840 -0.221 0.000 0.818 578 L CB 0.933 42.848 42.059 -0.241 0.000 1.259 578 L HN -0.035 nan 8.230 nan 0.000 0.418 579 F N 4.808 124.680 119.950 -0.131 0.000 2.565 579 F HA 0.657 5.184 4.527 0.000 0.000 0.313 579 F C -0.697 174.951 175.800 -0.253 0.000 1.091 579 F CA -0.637 57.267 58.000 -0.160 0.000 0.915 579 F CB 1.891 40.832 39.000 -0.099 0.000 1.208 579 F HN 0.202 nan 8.300 nan 0.000 0.453 580 L N 1.936 123.116 121.223 -0.071 0.000 2.346 580 L HA 0.904 5.245 4.340 0.000 0.000 0.276 580 L C 0.032 176.899 176.870 -0.004 0.000 1.006 580 L CA -0.829 53.895 54.840 -0.193 0.000 0.817 580 L CB 1.941 43.722 42.059 -0.463 0.000 1.272 580 L HN 0.770 nan 8.230 nan 0.000 0.421 581 G N 0.237 109.045 108.800 0.013 0.000 2.519 581 G HA2 0.799 4.759 3.960 0.000 0.000 0.307 581 G HA3 0.799 4.759 3.960 0.000 0.000 0.307 581 G C -0.484 174.532 174.900 0.192 0.000 1.266 581 G CA -0.303 44.914 45.100 0.195 0.000 0.970 581 G HN 0.976 nan 8.290 nan 0.000 0.481 582 G N -1.307 107.604 108.800 0.186 0.000 2.353 582 G HA2 0.038 3.998 3.960 0.000 0.000 0.615 582 G HA3 0.038 3.998 3.960 0.000 0.000 0.615 582 G C 0.770 175.726 174.900 0.094 0.000 1.280 582 G CA 0.038 45.224 45.100 0.143 0.000 1.000 582 G HN 1.187 nan 8.290 nan 0.000 0.516 583 C N 0.648 119.978 119.300 0.050 0.000 2.419 583 C HA 0.213 4.673 4.460 0.000 0.000 0.283 583 C C 3.011 177.975 174.990 -0.043 0.000 1.373 583 C CA 1.758 60.780 59.018 0.006 0.000 1.781 583 C CB -1.317 26.457 27.740 0.058 0.000 1.886 583 C HN 1.295 nan 8.230 nan 0.000 0.520 584 G N 1.132 109.815 108.800 -0.195 0.000 2.498 584 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 584 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 584 G C 1.422 175.953 174.900 -0.614 0.000 1.119 584 G CA 0.679 45.392 45.100 -0.645 0.000 0.766 584 G HN 0.554 nan 8.290 nan 0.000 0.552 585 N N 0.317 118.888 118.700 -0.215 0.000 2.354 585 N HA 0.030 4.770 4.740 0.000 0.000 0.179 585 N C 0.886 176.408 175.510 0.020 0.000 1.021 585 N CA 0.156 53.220 53.050 0.023 0.000 0.887 585 N CB 0.088 38.639 38.487 0.107 0.000 0.974 585 N HN 0.303 nan 8.380 nan 0.000 0.437 586 I N 2.975 123.554 120.570 0.015 0.000 2.452 586 I HA 0.046 4.216 4.170 0.000 0.000 0.287 586 I C -1.374 174.831 176.117 0.146 0.000 1.079 586 I CA -1.033 60.303 61.300 0.060 0.000 1.387 586 I CB 1.245 39.217 38.000 -0.048 0.000 1.404 586 I HN -0.071 nan 8.210 nan 0.000 0.522 587 P HA 0.066 nan 4.420 nan 0.000 0.267 587 P C 0.269 177.659 177.300 0.149 0.000 1.289 587 P CA 0.192 63.361 63.100 0.115 0.000 0.866 587 P CB 0.217 31.943 31.700 0.043 0.000 1.309 588 T N -2.118 112.558 114.554 0.204 0.000 2.862 588 T HA 0.676 5.026 4.350 0.000 0.000 0.276 588 T C 0.214 175.045 174.700 0.219 0.000 0.974 588 T CA -0.845 61.363 62.100 0.180 0.000 0.966 588 T CB 1.105 70.057 68.868 0.140 0.000 1.072 588 T HN 0.057 nan 8.240 nan 0.000 0.538 589 A N 1.779 124.662 122.820 0.105 0.000 2.302 589 A HA 0.614 4.934 4.320 0.000 0.000 0.295 589 A C -0.672 176.877 177.584 -0.058 0.000 1.235 589 A CA -0.871 51.176 52.037 0.017 0.000 0.876 589 A CB -0.806 18.225 19.000 0.051 0.000 1.133 589 A HN 0.890 nan 8.150 nan 0.000 0.533 590 Y N -0.270 119.937 120.300 -0.154 0.000 2.477 590 Y HA 0.717 5.267 4.550 0.000 0.000 0.347 590 Y C 0.679 176.451 175.900 -0.213 0.000 0.981 590 Y CA -0.649 57.174 58.100 -0.462 0.000 1.033 590 Y CB 1.420 39.411 38.460 -0.781 0.000 1.245 590 Y HN 0.407 nan 8.280 nan 0.000 0.455 591 G N 0.756 109.465 108.800 -0.151 0.000 2.720 591 G HA2 0.390 4.350 3.960 0.000 0.000 0.204 591 G HA3 0.390 4.350 3.960 0.000 0.000 0.204 591 G C 0.460 175.454 174.900 0.158 0.000 1.113 591 G CA 0.160 45.377 45.100 0.195 0.000 0.805 591 G HN 0.960 nan 8.290 nan 0.000 0.536 592 A N 0.788 123.522 122.820 -0.142 0.000 2.386 592 A HA 0.450 4.770 4.320 0.000 0.000 0.246 592 A C -0.043 177.442 177.584 -0.164 0.000 1.089 592 A CA -0.413 51.421 52.037 -0.338 0.000 0.790 592 A CB -0.008 18.791 19.000 -0.335 0.000 1.042 592 A HN 0.387 nan 8.150 nan 0.000 0.497 593 N N 1.905 120.373 118.700 -0.387 0.000 2.483 593 N HA 0.249 4.989 4.740 0.000 0.000 0.264 593 N C -2.025 173.385 175.510 -0.166 0.000 1.197 593 N CA -0.902 51.900 53.050 -0.412 0.000 0.927 593 N CB 0.462 38.788 38.487 -0.268 0.000 1.065 593 N HN 0.415 nan 8.380 nan 0.000 0.461 594 P HA 0.000 nan 4.420 nan 0.000 0.240 594 P C 0.419 177.612 177.300 -0.178 0.000 1.190 594 P CA 0.651 63.633 63.100 -0.197 0.000 0.781 594 P CB 0.348 31.906 31.700 -0.237 0.000 0.931 595 T N 0.688 115.219 114.554 -0.038 0.000 2.821 595 T HA -0.091 4.259 4.350 0.000 0.000 0.267 595 T C 1.758 176.554 174.700 0.160 0.000 1.046 595 T CA 0.765 62.907 62.100 0.070 0.000 1.139 595 T CB -0.708 68.230 68.868 0.116 0.000 0.871 595 T HN 0.004 nan 8.240 nan 0.000 0.454 596 L N 1.169 122.497 121.223 0.174 0.000 2.046 596 L HA -0.087 4.253 4.340 0.000 0.000 0.208 596 L C 2.541 179.498 176.870 0.145 0.000 1.077 596 L CA 1.739 56.736 54.840 0.262 0.000 0.747 596 L CB -1.021 41.171 42.059 0.221 0.000 0.896 596 L HN 0.179 nan 8.230 nan 0.000 0.432 597 T N -0.388 114.120 114.554 -0.076 0.000 2.746 597 T HA -0.154 4.196 4.350 0.000 0.000 0.267 597 T C 1.901 176.523 174.700 -0.131 0.000 1.039 597 T CA 1.253 63.218 62.100 -0.226 0.000 1.142 597 T CB -0.511 67.790 68.868 -0.945 0.000 0.866 597 T HN 0.510 nan 8.240 nan 0.000 0.444 598 A N 1.470 124.216 122.820 -0.123 0.000 1.902 598 A HA -0.065 4.255 4.320 0.000 0.000 0.217 598 A C 2.312 179.870 177.584 -0.044 0.000 1.181 598 A CA 1.822 53.826 52.037 -0.055 0.000 0.623 598 A CB -0.720 18.267 19.000 -0.022 0.000 0.818 598 A HN 0.529 nan 8.150 nan 0.000 0.443 599 M N -0.386 119.195 119.600 -0.031 0.000 2.132 599 M HA -0.132 4.348 4.480 0.000 0.000 0.263 599 M C 2.138 178.346 176.300 -0.153 0.000 1.065 599 M CA 2.057 57.304 55.300 -0.088 0.000 1.122 599 M CB -0.153 32.393 32.600 -0.090 0.000 1.365 599 M HN 0.365 nan 8.290 nan 0.000 0.411 600 S N 1.181 116.796 115.700 -0.141 0.000 2.370 600 S HA -0.142 4.328 4.470 0.000 0.000 0.226 600 S C 1.747 176.156 174.600 -0.319 0.000 1.033 600 S CA 1.473 59.521 58.200 -0.253 0.000 1.011 600 S CB -0.545 62.465 63.200 -0.316 0.000 0.852 600 S HN 0.520 nan 8.310 nan 0.000 0.457 601 L N 0.929 122.009 121.223 -0.239 0.000 2.141 601 L HA -0.080 4.260 4.340 0.000 0.000 0.209 601 L C 2.734 179.474 176.870 -0.216 0.000 1.094 601 L CA 1.043 55.743 54.840 -0.233 0.000 0.763 601 L CB -0.655 41.340 42.059 -0.107 0.000 0.908 601 L HN 0.318 nan 8.230 nan 0.000 0.437 602 A N 0.289 122.977 122.820 -0.220 0.000 1.969 602 A HA -0.138 4.182 4.320 0.000 0.000 0.218 602 A C 2.210 179.473 177.584 -0.536 0.000 1.169 602 A CA 1.292 53.087 52.037 -0.402 0.000 0.635 602 A CB -0.543 18.248 19.000 -0.349 0.000 0.810 602 A HN 0.352 nan 8.150 nan 0.000 0.445 603 I N -0.662 119.685 120.570 -0.372 0.000 2.252 603 I HA -0.232 3.938 4.170 0.000 0.000 0.245 603 I C 2.509 178.452 176.117 -0.290 0.000 1.102 603 I CA 1.761 62.869 61.300 -0.321 0.000 1.385 603 I CB -0.200 37.621 38.000 -0.298 0.000 1.064 603 I HN 0.365 nan 8.210 nan 0.000 0.414 604 K N 0.547 120.774 120.400 -0.289 0.000 2.097 604 K HA -0.189 4.131 4.320 0.000 0.000 0.205 604 K C 2.351 178.853 176.600 -0.164 0.000 1.050 604 K CA 1.606 57.753 56.287 -0.232 0.000 0.938 604 K CB -0.082 32.248 32.500 -0.284 0.000 0.718 604 K HN 0.085 nan 8.250 nan 0.000 0.442 605 S N -0.008 115.577 115.700 -0.192 0.000 2.370 605 S HA -0.178 4.292 4.470 0.000 0.000 0.226 605 S C 2.044 176.521 174.600 -0.205 0.000 1.033 605 S CA 1.507 59.627 58.200 -0.134 0.000 1.011 605 S CB -0.492 62.667 63.200 -0.068 0.000 0.852 605 S HN 0.574 nan 8.310 nan 0.000 0.457 606 C N 1.445 120.542 119.300 -0.338 0.000 2.425 606 C HA 0.004 4.464 4.460 0.000 0.000 0.277 606 C C 2.510 177.399 174.990 -0.167 0.000 1.280 606 C CA 0.726 59.561 59.018 -0.305 0.000 1.744 606 C CB -1.466 26.059 27.740 -0.359 0.000 1.989 606 C HN 0.681 nan 8.230 nan 0.000 0.491 607 E N -0.611 119.516 120.200 -0.123 0.000 2.118 607 E HA -0.276 4.074 4.350 0.000 0.000 0.195 607 E C 1.805 178.405 176.600 0.001 0.000 0.992 607 E CA 1.623 57.988 56.400 -0.059 0.000 0.804 607 E CB -0.307 29.355 29.700 -0.062 0.000 0.741 607 E HN 0.852 nan 8.360 nan 0.000 0.458 608 Y N 1.102 121.352 120.300 -0.083 0.000 2.163 608 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 608 Y C 2.024 177.933 175.900 0.015 0.000 1.136 608 Y CA 1.433 59.525 58.100 -0.012 0.000 1.147 608 Y CB -0.076 38.411 38.460 0.046 0.000 0.987 608 Y HN -0.075 nan 8.280 nan 0.000 0.509 609 I N 0.498 121.085 120.570 0.028 0.000 2.163 609 I HA -0.358 3.812 4.170 0.000 0.000 0.243 609 I C 2.290 178.434 176.117 0.043 0.000 1.085 609 I CA 1.717 63.024 61.300 0.012 0.000 1.347 609 I CB -0.420 37.395 38.000 -0.308 0.000 1.044 609 I HN 0.193 nan 8.210 nan 0.000 0.408 610 K N 0.322 120.705 120.400 -0.029 0.000 2.211 610 K HA -0.210 4.110 4.320 0.000 0.000 0.204 610 K C 1.858 178.508 176.600 0.083 0.000 1.047 610 K CA 1.269 57.614 56.287 0.098 0.000 0.935 610 K CB -0.140 32.398 32.500 0.063 0.000 0.728 610 K HN 0.506 nan 8.250 nan 0.000 0.452 611 Q N -0.510 119.262 119.800 -0.047 0.000 2.356 611 Q HA 0.096 4.436 4.340 0.000 0.000 0.205 611 Q C 0.808 176.680 176.000 -0.213 0.000 0.901 611 Q CA 0.218 55.955 55.803 -0.110 0.000 0.938 611 Q CB 0.563 29.224 28.738 -0.129 0.000 1.081 611 Q HN 0.284 nan 8.270 nan 0.000 0.517 612 N N -0.727 117.795 118.700 -0.295 0.000 2.159 612 N HA 0.170 4.910 4.740 0.000 0.000 0.217 612 N C -0.939 174.095 175.510 -0.794 0.000 1.223 612 N CA 0.256 52.968 53.050 -0.565 0.000 0.896 612 N CB 1.013 38.979 38.487 -0.868 0.000 1.064 612 N HN -0.010 nan 8.380 nan 0.000 0.518 613 F N 0.177 120.147 119.950 0.033 0.000 2.599 613 F HA 0.367 4.894 4.527 0.000 0.000 0.311 613 F C 0.025 175.957 175.800 0.220 0.000 1.076 613 F CA -0.651 57.432 58.000 0.138 0.000 0.937 613 F CB 1.901 40.998 39.000 0.163 0.000 1.282 613 F HN -0.385 nan 8.300 nan 0.000 0.460 614 T N 2.926 117.670 114.554 0.316 0.000 2.797 614 T HA 0.461 4.811 4.350 0.000 0.000 0.279 614 T C -2.712 171.960 174.700 -0.046 0.000 0.991 614 T CA -1.529 60.620 62.100 0.082 0.000 0.979 614 T CB 1.554 70.441 68.868 0.032 0.000 0.943 614 T HN 0.101 nan 8.240 nan 0.000 0.444 615 P HA 0.140 nan 4.420 nan 0.000 0.266 615 P C -0.031 177.180 177.300 -0.148 0.000 1.195 615 P CA -0.383 62.443 63.100 -0.457 0.000 0.768 615 P CB 0.279 31.602 31.700 -0.628 0.000 0.838 616 S N 3.785 119.446 115.700 -0.066 0.000 2.579 616 S HA 0.266 4.736 4.470 0.000 0.000 0.275 616 S C -2.038 172.555 174.600 -0.012 0.000 1.345 616 S CA -1.040 57.147 58.200 -0.021 0.000 1.031 616 S CB -0.800 62.393 63.200 -0.011 0.000 0.892 616 S HN 0.336 nan 8.310 nan 0.000 0.529 617 P HA 0.121 nan 4.420 nan 0.000 0.268 617 P C -0.873 176.508 177.300 0.136 0.000 1.204 617 P CA -0.278 62.855 63.100 0.055 0.000 0.768 617 P CB 0.118 31.841 31.700 0.039 0.000 0.842 618 F N 3.522 123.455 119.950 -0.030 0.000 2.390 618 F HA 0.368 4.895 4.527 0.000 0.000 0.361 618 F C 0.312 176.102 175.800 -0.016 0.000 1.124 618 F CA -0.602 57.386 58.000 -0.020 0.000 1.149 618 F CB 0.215 39.206 39.000 -0.016 0.000 1.160 618 F HN 0.208 nan 8.300 nan 0.000 0.501 619 T N 0.000 114.818 114.554 0.439 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.202 62.100 0.170 0.000 1.349 619 T CB 0.000 68.932 68.868 0.107 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658