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 2igk_1_C DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT 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 0.000 176.247 176.300 -0.089 0.000 1.140 43 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 43 M CB 0.000 32.484 32.600 -0.193 0.000 1.302 44 D N 4.329 124.703 120.400 -0.044 0.000 2.390 44 D HA 0.190 4.830 4.640 0.001 0.000 0.236 44 D C 1.273 177.457 176.300 -0.194 0.000 1.189 44 D CA 0.143 54.032 54.000 -0.184 0.000 0.887 44 D CB 0.785 41.346 40.800 -0.398 0.000 1.198 44 D HN 0.702 nan 8.370 nan 0.000 0.444 45 I N -1.952 118.504 120.570 -0.190 0.000 3.030 45 I HA 0.076 4.247 4.170 0.001 0.000 0.270 45 I C 0.808 176.854 176.117 -0.118 0.000 1.211 45 I CA 0.275 61.509 61.300 -0.109 0.000 1.479 45 I CB -0.096 37.873 38.000 -0.051 0.000 1.105 45 I HN -0.037 nan 8.210 nan 0.000 0.447 46 K N 1.000 121.204 120.400 -0.325 0.000 2.471 46 K HA 0.525 4.845 4.320 0.001 0.000 0.252 46 K C -1.812 174.476 176.600 -0.520 0.000 0.938 46 K CA -0.610 55.521 56.287 -0.261 0.000 0.796 46 K CB 1.111 33.519 32.500 -0.152 0.000 1.161 46 K HN 0.031 nan 8.250 nan 0.000 0.425 47 Y N 1.213 121.500 120.300 -0.022 0.000 2.605 47 Y HA 0.260 4.810 4.550 0.001 0.000 0.343 47 Y C 0.726 176.604 175.900 -0.038 0.000 1.036 47 Y CA -0.761 57.322 58.100 -0.028 0.000 1.065 47 Y CB 1.952 40.398 38.460 -0.023 0.000 1.288 47 Y HN 0.599 nan 8.280 nan 0.000 0.481 48 D N 0.234 120.723 120.400 0.150 0.000 2.103 48 D HA -0.002 4.639 4.640 0.001 0.000 0.199 48 D C -0.265 176.042 176.300 0.012 0.000 0.978 48 D CA 1.502 55.571 54.000 0.116 0.000 0.829 48 D CB 0.177 41.109 40.800 0.221 0.000 0.981 48 D HN 0.107 nan 8.370 nan 0.000 0.464 49 V N 1.371 121.286 119.914 0.002 0.000 2.531 49 V HA 0.341 4.462 4.120 0.001 0.000 0.301 49 V C -0.264 175.742 176.094 -0.146 0.000 1.034 49 V CA -1.037 61.174 62.300 -0.148 0.000 0.865 49 V CB 2.305 34.023 31.823 -0.174 0.000 0.995 49 V HN 0.003 nan 8.190 nan 0.000 0.424 50 V N 3.475 123.259 119.914 -0.218 0.000 2.459 50 V HA 0.726 4.846 4.120 0.001 0.000 0.295 50 V C -0.516 175.531 176.094 -0.078 0.000 1.029 50 V CA -0.525 61.710 62.300 -0.108 0.000 0.874 50 V CB 1.509 33.332 31.823 -0.001 0.000 0.985 50 V HN 0.678 nan 8.190 nan 0.000 0.438 51 I N 4.718 125.269 120.570 -0.032 0.000 2.406 51 I HA 0.442 4.612 4.170 0.001 0.000 0.290 51 I C -0.438 175.711 176.117 0.052 0.000 0.999 51 I CA -0.894 60.369 61.300 -0.061 0.000 1.124 51 I CB 2.169 40.120 38.000 -0.081 0.000 1.289 51 I HN 0.441 nan 8.210 nan 0.000 0.441 52 V N 5.794 125.718 119.914 0.017 0.000 2.368 52 V HA 0.741 4.862 4.120 0.001 0.000 0.266 52 V C 0.511 176.614 176.094 0.016 0.000 1.045 52 V CA -0.228 62.102 62.300 0.050 0.000 0.899 52 V CB 0.381 32.205 31.823 0.002 0.000 1.006 52 V HN 1.064 nan 8.190 nan 0.000 0.470 53 G N 3.935 112.761 108.800 0.044 0.000 3.069 53 G HA2 -0.028 3.933 3.960 0.001 0.000 0.686 53 G HA3 -0.028 3.933 3.960 0.001 0.000 0.686 53 G C -0.049 174.871 174.900 0.035 0.000 1.161 53 G CA -0.272 44.844 45.100 0.028 0.000 0.804 53 G HN 1.246 nan 8.290 nan 0.000 0.608 54 S N 1.089 116.812 115.700 0.039 0.000 2.561 54 S HA 0.600 5.070 4.470 0.001 0.000 0.245 54 S C 1.308 175.927 174.600 0.031 0.000 1.001 54 S CA 0.682 58.914 58.200 0.053 0.000 1.002 54 S CB 0.612 63.857 63.200 0.074 0.000 0.805 54 S HN 1.903 nan 8.310 nan 0.000 0.458 55 G N 2.659 111.466 108.800 0.010 0.000 2.611 55 G HA2 0.383 4.343 3.960 0.001 0.000 0.273 55 G HA3 0.383 4.343 3.960 0.001 0.000 0.273 55 G C -1.190 173.693 174.900 -0.028 0.000 1.305 55 G CA -1.301 43.785 45.100 -0.022 0.000 1.010 55 G HN 0.254 nan 8.290 nan 0.000 0.509 56 P HA -0.051 nan 4.420 nan 0.000 0.223 56 P C 1.652 178.904 177.300 -0.080 0.000 1.151 56 P CA 0.629 63.684 63.100 -0.075 0.000 0.787 56 P CB 0.217 31.888 31.700 -0.049 0.000 0.788 57 I N 0.228 120.782 120.570 -0.026 0.000 2.277 57 I HA -0.013 4.158 4.170 0.001 0.000 0.243 57 I C 2.710 178.891 176.117 0.107 0.000 1.094 57 I CA 1.343 62.658 61.300 0.026 0.000 1.393 57 I CB -2.259 35.782 38.000 0.069 0.000 1.078 57 I HN -0.010 nan 8.210 nan 0.000 0.417 58 G N 0.372 109.217 108.800 0.074 0.000 2.469 58 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 58 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 58 G C 1.762 176.677 174.900 0.026 0.000 1.150 58 G CA 1.194 46.330 45.100 0.060 0.000 0.763 58 G HN 0.423 nan 8.290 nan 0.000 0.561 59 C N 0.545 119.836 119.300 -0.015 0.000 2.432 59 C HA 0.043 4.503 4.460 0.001 0.000 0.282 59 C C 3.170 178.056 174.990 -0.174 0.000 1.388 59 C CA 1.339 60.312 59.018 -0.075 0.000 1.777 59 C CB -0.988 26.755 27.740 0.004 0.000 1.882 59 C HN 0.454 nan 8.230 nan 0.000 0.520 60 T N -0.135 114.340 114.554 -0.132 0.000 2.777 60 T HA -0.132 4.219 4.350 0.001 0.000 0.266 60 T C 1.471 176.024 174.700 -0.244 0.000 1.040 60 T CA 1.462 63.449 62.100 -0.189 0.000 1.141 60 T CB -0.376 68.396 68.868 -0.159 0.000 0.868 60 T HN 0.551 nan 8.240 nan 0.000 0.444 61 Y N 1.525 121.696 120.300 -0.215 0.000 2.181 61 Y HA -0.061 4.489 4.550 0.001 0.000 0.288 61 Y C 2.730 178.426 175.900 -0.341 0.000 1.146 61 Y CA 0.997 58.949 58.100 -0.247 0.000 1.164 61 Y CB -0.594 37.741 38.460 -0.209 0.000 0.982 61 Y HN 0.199 nan 8.280 nan 0.000 0.515 62 A N -0.004 122.649 122.820 -0.278 0.000 1.898 62 A HA -0.192 4.129 4.320 0.001 0.000 0.216 62 A C 2.297 179.319 177.584 -0.936 0.000 1.181 62 A CA 1.621 53.270 52.037 -0.647 0.000 0.620 62 A CB -0.677 17.778 19.000 -0.907 0.000 0.819 62 A HN 0.400 nan 8.150 nan 0.000 0.442 63 R N -0.271 119.739 120.500 -0.816 0.000 2.080 63 R HA -0.162 4.179 4.340 0.001 0.000 0.236 63 R C 2.057 178.136 176.300 -0.368 0.000 1.137 63 R CA 1.776 57.527 56.100 -0.581 0.000 0.943 63 R CB -0.291 29.715 30.300 -0.490 0.000 0.846 63 R HN 0.580 nan 8.270 nan 0.000 0.431 64 E N 0.548 120.565 120.200 -0.306 0.000 2.031 64 E HA -0.204 4.147 4.350 0.001 0.000 0.193 64 E C 2.153 178.667 176.600 -0.143 0.000 0.994 64 E CA 1.368 57.658 56.400 -0.184 0.000 0.800 64 E CB -0.181 29.406 29.700 -0.189 0.000 0.752 64 E HN 0.424 nan 8.360 nan 0.000 0.447 65 L N 0.488 121.595 121.223 -0.194 0.000 2.179 65 L HA -0.074 4.267 4.340 0.001 0.000 0.208 65 L C 2.545 179.439 176.870 0.041 0.000 1.096 65 L CA 0.320 55.074 54.840 -0.142 0.000 0.779 65 L CB -0.248 41.626 42.059 -0.307 0.000 0.922 65 L HN -0.039 nan 8.230 nan 0.000 0.443 66 V N 0.364 120.221 119.914 -0.094 0.000 2.379 66 V HA -0.133 3.988 4.120 0.001 0.000 0.245 66 V C 2.515 178.640 176.094 0.052 0.000 1.044 66 V CA 1.936 64.231 62.300 -0.008 0.000 1.036 66 V CB -0.912 30.833 31.823 -0.131 0.000 0.664 66 V HN 0.542 nan 8.190 nan 0.000 0.453 67 G N -0.766 108.033 108.800 -0.002 0.000 2.598 67 G HA2 0.029 3.990 3.960 0.001 0.000 0.215 67 G HA3 0.029 3.990 3.960 0.001 0.000 0.215 67 G C 1.258 176.191 174.900 0.054 0.000 1.131 67 G CA 0.741 45.857 45.100 0.026 0.000 0.785 67 G HN 0.602 nan 8.290 nan 0.000 0.539 68 A N -0.580 122.303 122.820 0.106 0.000 2.423 68 A HA 0.536 4.857 4.320 0.001 0.000 0.246 68 A C 1.735 179.373 177.584 0.091 0.000 1.278 68 A CA 0.989 53.109 52.037 0.138 0.000 0.903 68 A CB -0.213 18.928 19.000 0.236 0.000 0.997 68 A HN 1.399 nan 8.150 nan 0.000 0.510 69 G N -1.810 107.045 108.800 0.091 0.000 2.141 69 G HA2 -0.261 3.699 3.960 0.001 0.000 0.231 69 G HA3 -0.261 3.699 3.960 0.001 0.000 0.231 69 G C -0.102 174.774 174.900 -0.040 0.000 0.984 69 G CA 0.109 45.217 45.100 0.013 0.000 0.660 69 G HN 0.388 nan 8.290 nan 0.000 0.525 70 Y N 0.359 120.681 120.300 0.037 0.000 2.301 70 Y HA 0.503 5.053 4.550 0.001 0.000 0.328 70 Y C 1.013 176.944 175.900 0.051 0.000 1.242 70 Y CA -0.318 57.801 58.100 0.032 0.000 1.323 70 Y CB 0.819 39.280 38.460 0.001 0.000 1.266 70 Y HN 0.076 nan 8.280 nan 0.000 0.527 71 K N 2.531 123.044 120.400 0.188 0.000 2.284 71 K HA 0.470 4.791 4.320 0.001 0.000 0.287 71 K C -1.635 175.090 176.600 0.208 0.000 1.081 71 K CA -0.168 56.215 56.287 0.159 0.000 0.910 71 K CB 0.143 32.697 32.500 0.090 0.000 1.088 71 K HN 0.513 nan 8.250 nan 0.000 0.478 72 V N 3.211 123.227 119.914 0.171 0.000 2.555 72 V HA 0.592 4.712 4.120 0.001 0.000 0.302 72 V C -0.395 175.582 176.094 -0.195 0.000 1.038 72 V CA -0.927 61.407 62.300 0.057 0.000 0.887 72 V CB 1.505 33.411 31.823 0.139 0.000 0.991 72 V HN 0.901 nan 8.190 nan 0.000 0.434 73 A N 5.758 128.297 122.820 -0.469 0.000 2.337 73 A HA 0.950 5.271 4.320 0.001 0.000 0.329 73 A C -0.649 176.562 177.584 -0.622 0.000 1.146 73 A CA -0.613 50.914 52.037 -0.849 0.000 0.800 73 A CB 1.566 19.736 19.000 -1.385 0.000 1.220 73 A HN 0.915 nan 8.150 nan 0.000 0.472 74 M N 2.381 121.519 119.600 -0.770 0.000 2.393 74 M HA 0.737 5.217 4.480 0.001 0.000 0.299 74 M C -2.215 173.740 176.300 -0.575 0.000 1.103 74 M CA -0.410 54.651 55.300 -0.398 0.000 0.910 74 M CB 1.275 33.839 32.600 -0.061 0.000 1.659 74 M HN 0.605 nan 8.290 nan 0.000 0.445 75 F N 2.006 121.945 119.950 -0.019 0.000 2.522 75 F HA 0.589 5.116 4.527 0.001 0.000 0.324 75 F C -0.193 175.605 175.800 -0.003 0.000 1.077 75 F CA -0.494 57.516 58.000 0.016 0.000 0.944 75 F CB 1.598 40.582 39.000 -0.026 0.000 1.175 75 F HN 0.458 nan 8.300 nan 0.000 0.468 76 D N 2.429 122.919 120.400 0.151 0.000 2.896 76 D HA 0.222 4.862 4.640 0.001 0.000 0.241 76 D C 0.517 176.839 176.300 0.037 0.000 1.188 76 D CA -0.323 53.718 54.000 0.068 0.000 0.879 76 D CB 2.459 43.285 40.800 0.043 0.000 1.553 76 D HN 0.651 nan 8.370 nan 0.000 0.515 77 I N 2.087 122.630 120.570 -0.044 0.000 2.567 77 I HA -0.013 4.157 4.170 0.001 0.000 0.257 77 I C 1.117 177.186 176.117 -0.080 0.000 1.184 77 I CA 0.922 62.147 61.300 -0.125 0.000 1.451 77 I CB 0.175 37.983 38.000 -0.321 0.000 1.089 77 I HN 0.339 nan 8.210 nan 0.000 0.441 78 G N -0.230 108.547 108.800 -0.039 0.000 2.557 78 G HA2 0.441 4.402 3.960 0.001 0.000 0.302 78 G HA3 0.441 4.402 3.960 0.001 0.000 0.302 78 G C -0.881 174.036 174.900 0.030 0.000 1.311 78 G CA -0.428 44.677 45.100 0.007 0.000 1.030 78 G HN 0.295 nan 8.290 nan 0.000 0.509 79 E N -1.486 118.738 120.200 0.041 0.000 2.378 79 E HA 0.391 4.741 4.350 0.001 0.000 0.265 79 E C -0.539 176.087 176.600 0.043 0.000 0.932 79 E CA -0.785 55.640 56.400 0.043 0.000 0.795 79 E CB 2.522 32.250 29.700 0.046 0.000 1.296 79 E HN 0.253 nan 8.360 nan 0.000 0.438 80 I N 2.395 122.989 120.570 0.040 0.000 2.471 80 I HA 0.068 4.238 4.170 0.001 0.000 0.286 80 I C -0.359 175.787 176.117 0.049 0.000 1.079 80 I CA 0.450 61.775 61.300 0.042 0.000 1.398 80 I CB 0.212 38.231 38.000 0.032 0.000 1.403 80 I HN 0.546 nan 8.210 nan 0.000 0.530 81 D N 2.803 123.239 120.400 0.060 0.000 3.629 81 D HA 0.021 4.661 4.640 0.001 0.000 0.306 81 D C -0.347 176.009 176.300 0.094 0.000 1.431 81 D CA -0.325 53.718 54.000 0.072 0.000 0.748 81 D CB -0.146 40.695 40.800 0.068 0.000 1.315 81 D HN 0.212 nan 8.370 nan 0.000 0.667 82 S N -0.014 115.743 115.700 0.096 0.000 2.809 82 S HA 0.637 5.107 4.470 0.001 0.000 0.248 82 S C 0.820 175.493 174.600 0.123 0.000 1.071 82 S CA 0.081 58.356 58.200 0.125 0.000 1.059 82 S CB 0.699 63.972 63.200 0.121 0.000 0.923 82 S HN 0.919 nan 8.310 nan 0.000 0.516 83 G N 1.374 110.235 108.800 0.103 0.000 2.642 83 G HA2 -0.227 3.734 3.960 0.001 0.000 0.231 83 G HA3 -0.227 3.734 3.960 0.001 0.000 0.231 83 G C 0.320 175.259 174.900 0.064 0.000 1.338 83 G CA -0.202 44.950 45.100 0.087 0.000 0.883 83 G HN 0.328 nan 8.290 nan 0.000 0.570 84 L N 0.340 121.595 121.223 0.053 0.000 2.313 84 L HA 0.122 4.462 4.340 0.001 0.000 0.214 84 L C 1.459 178.344 176.870 0.025 0.000 1.119 84 L CA 0.847 55.706 54.840 0.032 0.000 0.809 84 L CB -0.297 41.776 42.059 0.023 0.000 0.933 84 L HN 0.325 nan 8.230 nan 0.000 0.449 85 K N 1.871 122.296 120.400 0.042 0.000 2.262 85 K HA 0.300 4.621 4.320 0.001 0.000 0.288 85 K C -0.316 176.308 176.600 0.040 0.000 1.090 85 K CA -0.197 56.111 56.287 0.035 0.000 0.918 85 K CB 0.707 33.242 32.500 0.059 0.000 1.139 85 K HN 0.094 nan 8.250 nan 0.000 0.462 86 I N 1.773 122.350 120.570 0.012 0.000 2.598 86 I HA -0.048 4.122 4.170 0.001 0.000 0.284 86 I C 1.367 177.504 176.117 0.032 0.000 1.140 86 I CA 0.716 62.028 61.300 0.020 0.000 1.420 86 I CB 0.373 38.375 38.000 0.003 0.000 1.387 86 I HN 0.932 nan 8.210 nan 0.000 0.553 87 G N 4.203 113.035 108.800 0.053 0.000 2.160 87 G HA2 -0.195 3.766 3.960 0.001 0.000 0.251 87 G HA3 -0.195 3.766 3.960 0.001 0.000 0.251 87 G C 0.292 175.244 174.900 0.086 0.000 1.008 87 G CA 0.097 45.233 45.100 0.060 0.000 0.724 87 G HN 0.985 nan 8.290 nan 0.000 0.514 88 A N -0.528 122.359 122.820 0.112 0.000 2.257 88 A HA 0.646 4.966 4.320 0.001 0.000 0.289 88 A C 0.534 178.245 177.584 0.212 0.000 1.095 88 A CA -0.376 51.763 52.037 0.171 0.000 0.836 88 A CB 0.334 19.437 19.000 0.171 0.000 1.111 88 A HN 0.600 nan 8.150 nan 0.000 0.497 89 H N 0.443 119.652 119.070 0.232 0.000 2.899 89 H HA 0.110 4.667 4.556 0.001 0.000 0.303 89 H C 0.733 176.199 175.328 0.231 0.000 1.042 89 H CA 0.684 56.886 56.048 0.257 0.000 1.479 89 H CB 0.822 30.750 29.762 0.278 0.000 1.493 89 H HN 0.683 nan 8.280 nan 0.000 0.534 90 K N 3.261 123.885 120.400 0.374 0.000 2.283 90 K HA -0.110 4.210 4.320 0.001 0.000 0.202 90 K C 1.712 178.596 176.600 0.472 0.000 1.048 90 K CA 1.038 57.603 56.287 0.463 0.000 0.948 90 K CB 0.258 33.057 32.500 0.498 0.000 0.742 90 K HN 0.544 nan 8.250 nan 0.000 0.458 91 K N 0.137 120.661 120.400 0.207 0.000 2.487 91 K HA 0.035 4.356 4.320 0.001 0.000 0.192 91 K C 0.333 176.969 176.600 0.060 0.000 1.027 91 K CA 0.488 56.600 56.287 -0.292 0.000 1.054 91 K CB 0.192 31.857 32.500 -1.392 0.000 0.824 91 K HN -0.092 nan 8.250 nan 0.000 0.510 92 N N 2.437 121.266 118.700 0.214 0.000 2.416 92 N HA -0.026 4.714 4.740 0.001 0.000 0.215 92 N C -0.387 175.353 175.510 0.383 0.000 1.208 92 N CA 0.498 53.681 53.050 0.222 0.000 0.834 92 N CB 0.462 39.116 38.487 0.278 0.000 1.072 92 N HN 0.462 nan 8.380 nan 0.000 0.472 93 T N -4.056 110.716 114.554 0.364 0.000 2.934 93 T HA 0.301 4.652 4.350 0.001 0.000 0.283 93 T C 1.618 176.505 174.700 0.312 0.000 1.005 93 T CA -0.764 61.526 62.100 0.316 0.000 1.041 93 T CB 1.635 70.639 68.868 0.226 0.000 1.042 93 T HN -0.200 nan 8.240 nan 0.000 0.505 94 V N 1.348 121.403 119.914 0.235 0.000 2.392 94 V HA -0.116 4.005 4.120 0.001 0.000 0.249 94 V C 2.892 179.052 176.094 0.110 0.000 1.059 94 V CA 1.751 64.168 62.300 0.196 0.000 1.051 94 V CB -0.824 31.053 31.823 0.089 0.000 0.658 94 V HN 0.878 nan 8.190 nan 0.000 0.455 95 E N -0.492 119.712 120.200 0.007 0.000 2.077 95 E HA -0.196 4.154 4.350 0.001 0.000 0.193 95 E C 2.103 178.638 176.600 -0.108 0.000 0.989 95 E CA 1.533 57.865 56.400 -0.112 0.000 0.800 95 E CB -0.246 29.280 29.700 -0.289 0.000 0.746 95 E HN 0.748 nan 8.360 nan 0.000 0.452 96 Y N 0.911 121.296 120.300 0.141 0.000 2.457 96 Y HA -0.022 4.529 4.550 0.001 0.000 0.292 96 Y C 2.355 178.301 175.900 0.077 0.000 1.125 96 Y CA 0.598 58.772 58.100 0.122 0.000 1.254 96 Y CB -0.062 38.474 38.460 0.125 0.000 1.012 96 Y HN 0.026 nan 8.280 nan 0.000 0.555 97 Q N 0.238 120.164 119.800 0.211 0.000 2.297 97 Q HA -0.106 4.234 4.340 0.001 0.000 0.204 97 Q C 1.690 177.775 176.000 0.142 0.000 0.962 97 Q CA 0.972 56.866 55.803 0.152 0.000 0.879 97 Q CB -0.028 28.814 28.738 0.172 0.000 0.947 97 Q HN 0.501 nan 8.270 nan 0.000 0.462 98 K N 0.478 120.956 120.400 0.131 0.000 2.211 98 K HA 0.060 4.380 4.320 0.001 0.000 0.201 98 K C 0.355 177.014 176.600 0.100 0.000 1.052 98 K CA 0.487 56.832 56.287 0.097 0.000 0.973 98 K CB 0.433 32.973 32.500 0.066 0.000 0.766 98 K HN 0.160 nan 8.250 nan 0.000 0.466 99 N N 1.249 120.029 118.700 0.134 0.000 2.750 99 N HA 0.046 4.787 4.740 0.001 0.000 0.253 99 N C 0.076 175.731 175.510 0.241 0.000 1.408 99 N CA -0.025 53.119 53.050 0.157 0.000 0.780 99 N CB 1.358 39.923 38.487 0.130 0.000 1.191 99 N HN -0.051 nan 8.380 nan 0.000 0.511 100 I N 1.446 122.139 120.570 0.205 0.000 2.315 100 I HA -0.234 3.936 4.170 0.001 0.000 0.251 100 I C 1.374 177.630 176.117 0.231 0.000 1.125 100 I CA 1.608 63.030 61.300 0.203 0.000 1.392 100 I CB -0.041 38.033 38.000 0.123 0.000 1.065 100 I HN 0.262 nan 8.210 nan 0.000 0.424 101 D N 0.328 120.861 120.400 0.222 0.000 2.264 101 D HA -0.131 4.509 4.640 0.001 0.000 0.208 101 D C 1.975 178.385 176.300 0.184 0.000 0.966 101 D CA 0.604 54.736 54.000 0.218 0.000 0.864 101 D CB -0.094 40.869 40.800 0.271 0.000 0.933 101 D HN 0.309 nan 8.370 nan 0.000 0.499 102 K N 0.149 120.692 120.400 0.238 0.000 2.362 102 K HA -0.085 4.235 4.320 0.001 0.000 0.200 102 K C 1.753 178.465 176.600 0.186 0.000 1.046 102 K CA 0.037 56.468 56.287 0.241 0.000 0.952 102 K CB -0.428 32.273 32.500 0.335 0.000 0.753 102 K HN 0.223 nan 8.250 nan 0.000 0.466 103 F N 1.135 121.068 119.950 -0.028 0.000 2.365 103 F HA -0.141 4.387 4.527 0.001 0.000 0.300 103 F C 2.045 177.724 175.800 -0.202 0.000 1.090 103 F CA 0.412 58.221 58.000 -0.319 0.000 1.408 103 F CB -0.169 38.605 39.000 -0.376 0.000 1.060 103 F HN -0.230 nan 8.300 nan 0.000 0.534 104 V N 0.859 120.699 119.914 -0.124 0.000 2.453 104 V HA -0.385 3.736 4.120 0.001 0.000 0.252 104 V C 1.725 177.640 176.094 -0.297 0.000 1.068 104 V CA 2.815 64.988 62.300 -0.211 0.000 1.070 104 V CB -0.660 31.060 31.823 -0.172 0.000 0.664 104 V HN 0.486 nan 8.190 nan 0.000 0.461 105 N N -0.699 117.853 118.700 -0.247 0.000 2.244 105 N HA -0.107 4.634 4.740 0.001 0.000 0.183 105 N C 1.629 176.961 175.510 -0.297 0.000 1.016 105 N CA 1.404 54.328 53.050 -0.210 0.000 0.866 105 N CB -0.177 38.250 38.487 -0.100 0.000 0.980 105 N HN 0.424 nan 8.380 nan 0.000 0.430 106 V N 1.233 120.848 119.914 -0.499 0.000 2.295 106 V HA -0.196 3.924 4.120 0.001 0.000 0.246 106 V C 2.038 177.787 176.094 -0.574 0.000 1.049 106 V CA 1.392 63.338 62.300 -0.591 0.000 1.024 106 V CB -0.505 30.683 31.823 -1.058 0.000 0.648 106 V HN 0.288 nan 8.190 nan 0.000 0.447 107 I N -0.171 119.962 120.570 -0.728 0.000 2.127 107 I HA -0.345 3.826 4.170 0.001 0.000 0.241 107 I C 2.729 178.588 176.117 -0.429 0.000 1.075 107 I CA 1.840 62.763 61.300 -0.627 0.000 1.334 107 I CB -0.465 37.217 38.000 -0.529 0.000 1.040 107 I HN 0.349 nan 8.210 nan 0.000 0.405 108 Q N 0.387 119.994 119.800 -0.321 0.000 2.124 108 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 108 Q C 2.338 178.238 176.000 -0.167 0.000 0.977 108 Q CA 1.485 57.157 55.803 -0.218 0.000 0.850 108 Q CB -0.459 28.168 28.738 -0.185 0.000 0.901 108 Q HN 0.667 nan 8.270 nan 0.000 0.429 109 G N 1.417 110.115 108.800 -0.171 0.000 2.470 109 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 109 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 109 G C 1.022 175.874 174.900 -0.080 0.000 1.121 109 G CA 0.835 45.869 45.100 -0.110 0.000 0.766 109 G HN 0.492 nan 8.290 nan 0.000 0.553 110 Q N -0.680 119.055 119.800 -0.108 0.000 2.141 110 Q HA 0.485 4.825 4.340 0.001 0.000 0.248 110 Q C -0.480 175.510 176.000 -0.016 0.000 0.834 110 Q CA -0.296 55.486 55.803 -0.035 0.000 1.096 110 Q CB 0.154 28.898 28.738 0.009 0.000 1.189 110 Q HN 0.254 nan 8.270 nan 0.000 0.471 111 L N 2.027 123.219 121.223 -0.052 0.000 2.319 111 L HA 0.567 4.907 4.340 0.001 0.000 0.281 111 L C -0.720 176.154 176.870 0.007 0.000 1.005 111 L CA -0.785 54.047 54.840 -0.014 0.000 0.828 111 L CB 1.728 43.749 42.059 -0.063 0.000 1.227 111 L HN 0.248 nan 8.230 nan 0.000 0.415 112 M N 2.047 121.677 119.600 0.050 0.000 2.167 112 M HA 0.346 4.826 4.480 0.001 0.000 0.333 112 M C -0.051 176.289 176.300 0.067 0.000 1.030 112 M CA -0.458 54.877 55.300 0.058 0.000 0.963 112 M CB 1.320 33.975 32.600 0.092 0.000 1.589 112 M HN 0.358 nan 8.290 nan 0.000 0.431 113 S N 1.845 117.570 115.700 0.042 0.000 2.552 113 S HA 0.137 4.608 4.470 0.001 0.000 0.289 113 S C 1.655 176.293 174.600 0.064 0.000 1.304 113 S CA -0.504 57.721 58.200 0.042 0.000 1.063 113 S CB 0.926 64.135 63.200 0.016 0.000 0.848 113 S HN 0.538 nan 8.310 nan 0.000 0.499 114 V N 2.521 122.487 119.914 0.087 0.000 2.323 114 V HA -0.005 4.115 4.120 0.001 0.000 0.244 114 V C 1.197 177.299 176.094 0.014 0.000 1.041 114 V CA 1.477 63.821 62.300 0.073 0.000 1.025 114 V CB 0.020 31.929 31.823 0.143 0.000 0.656 114 V HN 0.797 nan 8.190 nan 0.000 0.451 115 S N -0.617 115.112 115.700 0.049 0.000 2.750 115 S HA 0.527 4.997 4.470 0.001 0.000 0.276 115 S C -1.185 173.419 174.600 0.006 0.000 1.165 115 S CA -0.463 57.731 58.200 -0.010 0.000 1.047 115 S CB 1.497 64.668 63.200 -0.048 0.000 1.056 115 S HN -0.007 nan 8.310 nan 0.000 0.481 116 V N 7.862 127.764 119.914 -0.020 0.000 2.378 116 V HA 0.555 4.676 4.120 0.001 0.000 0.288 116 V C -2.012 174.061 176.094 -0.035 0.000 1.016 116 V CA -1.784 60.502 62.300 -0.023 0.000 0.840 116 V CB 1.576 33.385 31.823 -0.022 0.000 0.994 116 V HN 0.709 nan 8.190 nan 0.000 0.431 117 P HA 0.170 nan 4.420 nan 0.000 0.274 117 P C -0.119 177.152 177.300 -0.049 0.000 1.246 117 P CA -0.138 62.937 63.100 -0.041 0.000 0.795 117 P CB 0.913 32.589 31.700 -0.040 0.000 1.006 118 V N 2.379 122.267 119.914 -0.043 0.000 2.617 118 V HA -0.060 4.061 4.120 0.001 0.000 0.304 118 V C 1.313 177.350 176.094 -0.093 0.000 1.040 118 V CA 0.277 62.547 62.300 -0.049 0.000 1.149 118 V CB -0.779 31.038 31.823 -0.010 0.000 0.914 118 V HN 0.619 nan 8.190 nan 0.000 0.487 119 N N 3.739 122.377 118.700 -0.105 0.000 2.470 119 N HA 0.074 4.814 4.740 0.001 0.000 0.268 119 N C 0.655 175.998 175.510 -0.279 0.000 1.136 119 N CA 0.432 53.395 53.050 -0.144 0.000 0.961 119 N CB 1.493 39.924 38.487 -0.094 0.000 1.067 119 N HN 0.865 nan 8.380 nan 0.000 0.468 120 T N 0.838 115.116 114.554 -0.459 0.000 3.182 120 T HA 0.268 4.618 4.350 0.001 0.000 0.277 120 T C 0.825 175.103 174.700 -0.702 0.000 1.013 120 T CA -0.427 61.011 62.100 -1.104 0.000 0.900 120 T CB -0.372 67.920 68.868 -0.960 0.000 1.098 120 T HN 0.280 nan 8.240 nan 0.000 0.543 121 L N 2.110 123.174 121.223 -0.265 0.000 2.455 121 L HA 0.337 4.677 4.340 0.001 0.000 0.272 121 L C 0.082 177.001 176.870 0.080 0.000 1.174 121 L CA -0.668 54.125 54.840 -0.078 0.000 0.869 121 L CB 0.807 42.840 42.059 -0.043 0.000 1.130 121 L HN 0.069 nan 8.230 nan 0.000 0.474 122 V N 4.908 124.885 119.914 0.105 0.000 2.432 122 V HA 0.155 4.275 4.120 0.001 0.000 0.271 122 V C 0.206 176.361 176.094 0.102 0.000 1.046 122 V CA -0.443 61.963 62.300 0.177 0.000 0.945 122 V CB 1.507 33.418 31.823 0.147 0.000 0.992 122 V HN 0.412 nan 8.190 nan 0.000 0.471 123 V N 5.460 125.435 119.914 0.102 0.000 2.293 123 V HA 0.324 4.444 4.120 0.001 0.000 0.275 123 V C 0.192 176.313 176.094 0.046 0.000 1.021 123 V CA -0.441 61.897 62.300 0.063 0.000 0.815 123 V CB 1.249 33.109 31.823 0.063 0.000 1.025 123 V HN 1.070 nan 8.190 nan 0.000 0.448 124 D N 1.873 122.294 120.400 0.034 0.000 2.501 124 D HA 0.011 4.651 4.640 0.001 0.000 0.224 124 D C 1.144 177.452 176.300 0.013 0.000 1.202 124 D CA 0.204 54.215 54.000 0.019 0.000 0.829 124 D CB 0.380 41.190 40.800 0.017 0.000 1.023 124 D HN 0.537 nan 8.370 nan 0.000 0.499 125 T N -1.952 112.613 114.554 0.018 0.000 3.174 125 T HA 0.310 4.660 4.350 0.001 0.000 0.269 125 T C 0.771 175.481 174.700 0.018 0.000 1.017 125 T CA -0.548 61.562 62.100 0.015 0.000 0.899 125 T CB -0.160 68.718 68.868 0.016 0.000 1.077 125 T HN 0.030 nan 8.240 nan 0.000 0.552 126 L N 2.117 123.352 121.223 0.020 0.000 2.483 126 L HA 0.237 4.577 4.340 0.001 0.000 0.275 126 L C 1.144 178.024 176.870 0.017 0.000 1.220 126 L CA -0.404 54.451 54.840 0.025 0.000 0.833 126 L CB 0.342 42.419 42.059 0.030 0.000 1.102 126 L HN 0.260 nan 8.230 nan 0.000 0.490 127 S N 2.171 117.884 115.700 0.022 0.000 2.560 127 S HA 0.092 4.563 4.470 0.001 0.000 0.284 127 S C -1.397 173.210 174.600 0.010 0.000 1.327 127 S CA -1.049 57.161 58.200 0.016 0.000 1.055 127 S CB 0.853 64.066 63.200 0.022 0.000 0.868 127 S HN 0.394 nan 8.310 nan 0.000 0.506 128 P HA -0.100 nan 4.420 nan 0.000 0.220 128 P C 1.328 178.627 177.300 -0.002 0.000 1.144 128 P CA 1.434 64.529 63.100 -0.008 0.000 0.800 128 P CB -0.151 31.544 31.700 -0.008 0.000 0.772 129 T N -5.778 108.784 114.554 0.013 0.000 3.067 129 T HA 0.093 4.444 4.350 0.001 0.000 0.261 129 T C 1.028 175.758 174.700 0.049 0.000 1.110 129 T CA 0.090 62.205 62.100 0.026 0.000 1.113 129 T CB -0.541 68.345 68.868 0.029 0.000 0.917 129 T HN -0.095 nan 8.240 nan 0.000 0.499 130 S N 1.198 116.931 115.700 0.055 0.000 2.576 130 S HA 0.306 4.776 4.470 0.001 0.000 0.276 130 S C -0.588 174.091 174.600 0.132 0.000 1.339 130 S CA -0.993 57.268 58.200 0.102 0.000 1.039 130 S CB 0.219 63.476 63.200 0.095 0.000 0.902 130 S HN 0.602 nan 8.310 nan 0.000 0.516 131 W N 2.733 124.042 121.300 0.015 0.000 2.251 131 W HA 0.237 4.898 4.660 0.001 0.000 0.327 131 W C 0.204 176.741 176.519 0.029 0.000 1.361 131 W CA 0.191 57.546 57.345 0.016 0.000 1.234 131 W CB 0.225 29.695 29.460 0.016 0.000 1.212 131 W HN 0.522 nan 8.180 nan 0.000 0.557 132 Q N 4.669 124.146 119.800 -0.539 0.000 2.347 132 Q HA 0.605 4.946 4.340 0.001 0.000 0.271 132 Q C -0.634 174.885 176.000 -0.802 0.000 1.064 132 Q CA -0.862 54.702 55.803 -0.399 0.000 0.800 132 Q CB 1.872 30.462 28.738 -0.247 0.000 1.304 132 Q HN 0.611 nan 8.270 nan 0.000 0.438 133 A N 1.899 124.493 122.820 -0.377 0.000 2.351 133 A HA 0.305 4.625 4.320 0.001 0.000 0.257 133 A C 0.447 177.868 177.584 -0.271 0.000 1.087 133 A CA -0.101 51.779 52.037 -0.262 0.000 0.798 133 A CB 0.884 20.012 19.000 0.214 0.000 1.033 133 A HN 0.834 nan 8.150 nan 0.000 0.488 134 S N -0.892 114.679 115.700 -0.215 0.000 2.517 134 S HA 0.152 4.622 4.470 0.001 0.000 0.214 134 S C 0.750 175.247 174.600 -0.172 0.000 0.991 134 S CA 0.815 58.903 58.200 -0.187 0.000 0.906 134 S CB -0.082 63.027 63.200 -0.152 0.000 0.789 134 S HN 1.122 nan 8.310 nan 0.000 0.513 135 T N -1.611 112.879 114.554 -0.106 0.000 2.841 135 T HA 0.610 4.961 4.350 0.001 0.000 0.296 135 T C -0.977 173.647 174.700 -0.128 0.000 1.166 135 T CA -0.691 61.329 62.100 -0.133 0.000 1.007 135 T CB 0.625 69.521 68.868 0.046 0.000 1.253 135 T HN -0.109 nan 8.240 nan 0.000 0.511 136 F N 2.954 122.977 119.950 0.121 0.000 2.605 136 F HA 0.392 4.919 4.527 0.001 0.000 0.352 136 F C 0.429 176.269 175.800 0.067 0.000 1.236 136 F CA -1.920 56.110 58.000 0.050 0.000 1.267 136 F CB -1.043 37.963 39.000 0.009 0.000 1.632 136 F HN 0.562 nan 8.300 nan 0.000 0.639 137 F N -0.749 119.301 119.950 0.166 0.000 2.368 137 F HA 0.612 5.140 4.527 0.001 0.000 0.308 137 F C -0.085 175.786 175.800 0.118 0.000 1.198 137 F CA -1.526 56.550 58.000 0.126 0.000 1.130 137 F CB -0.072 38.994 39.000 0.111 0.000 1.300 137 F HN -0.193 nan 8.300 nan 0.000 0.537 138 V N 2.667 122.742 119.914 0.269 0.000 2.415 138 V HA 0.304 4.424 4.120 0.001 0.000 0.267 138 V C 0.088 176.217 176.094 0.059 0.000 1.042 138 V CA -0.056 62.309 62.300 0.107 0.000 1.000 138 V CB -0.528 31.377 31.823 0.138 0.000 1.015 138 V HN 0.709 nan 8.190 nan 0.000 0.478 139 R N 3.850 124.276 120.500 -0.123 0.000 2.744 139 R HA 0.456 4.796 4.340 0.001 0.000 0.279 139 R C 0.078 176.334 176.300 -0.073 0.000 0.977 139 R CA -0.892 55.109 56.100 -0.165 0.000 0.906 139 R CB 1.391 31.441 30.300 -0.417 0.000 1.197 139 R HN 0.694 nan 8.270 nan 0.000 0.463 140 N N 0.780 119.463 118.700 -0.029 0.000 2.725 140 N HA -0.189 4.551 4.740 0.001 0.000 0.249 140 N C 0.464 175.963 175.510 -0.019 0.000 1.103 140 N CA 1.548 54.583 53.050 -0.024 0.000 0.707 140 N CB -1.158 37.306 38.487 -0.039 0.000 1.043 140 N HN 1.082 nan 8.380 nan 0.000 0.553 141 G N -1.648 107.147 108.800 -0.009 0.000 2.148 141 G HA2 -0.330 3.630 3.960 0.001 0.000 0.254 141 G HA3 -0.330 3.630 3.960 0.001 0.000 0.254 141 G C 0.306 175.200 174.900 -0.010 0.000 0.981 141 G CA 1.038 46.135 45.100 -0.005 0.000 0.670 141 G HN 1.371 nan 8.290 nan 0.000 0.528 142 S N -0.616 115.072 115.700 -0.019 0.000 2.584 142 S HA 0.447 4.917 4.470 0.001 0.000 0.270 142 S C 0.154 174.743 174.600 -0.018 0.000 1.346 142 S CA 0.202 58.386 58.200 -0.025 0.000 1.018 142 S CB 1.689 64.865 63.200 -0.039 0.000 0.899 142 S HN 0.819 nan 8.310 nan 0.000 0.542 143 N N 1.864 120.545 118.700 -0.032 0.000 2.558 143 N HA 0.377 5.118 4.740 0.001 0.000 0.242 143 N C -1.783 173.708 175.510 -0.031 0.000 0.979 143 N CA -2.555 50.469 53.050 -0.043 0.000 0.931 143 N CB 1.357 39.791 38.487 -0.089 0.000 1.122 143 N HN 0.350 nan 8.380 nan 0.000 0.508 144 P HA -0.052 nan 4.420 nan 0.000 0.234 144 P C 0.318 177.635 177.300 0.030 0.000 1.167 144 P CA 0.817 63.932 63.100 0.024 0.000 0.763 144 P CB 0.566 32.298 31.700 0.053 0.000 0.835 145 E N -0.146 120.054 120.200 -0.001 0.000 2.274 145 E HA -0.095 4.255 4.350 0.001 0.000 0.194 145 E C 0.934 177.525 176.600 -0.016 0.000 0.996 145 E CA 0.567 56.979 56.400 0.019 0.000 0.840 145 E CB -0.140 29.495 29.700 -0.108 0.000 0.772 145 E HN 0.304 nan 8.360 nan 0.000 0.491 146 Q N 2.278 122.038 119.800 -0.068 0.000 2.307 146 Q HA 0.017 4.357 4.340 0.001 0.000 0.259 146 Q C -0.835 175.164 176.000 -0.001 0.000 0.998 146 Q CA -0.130 55.634 55.803 -0.065 0.000 0.923 146 Q CB 0.705 29.394 28.738 -0.082 0.000 1.196 146 Q HN -0.189 nan 8.270 nan 0.000 0.416 147 D N 6.056 126.475 120.400 0.031 0.000 2.339 147 D HA 0.086 4.727 4.640 0.001 0.000 0.256 147 D C -1.736 174.574 176.300 0.017 0.000 1.214 147 D CA -2.004 52.018 54.000 0.037 0.000 0.877 147 D CB 1.301 42.139 40.800 0.062 0.000 1.111 147 D HN 0.423 nan 8.370 nan 0.000 0.478 148 P HA -0.070 nan 4.420 nan 0.000 0.226 148 P C 1.273 178.569 177.300 -0.007 0.000 1.153 148 P CA 0.640 63.733 63.100 -0.013 0.000 0.777 148 P CB 0.342 32.023 31.700 -0.032 0.000 0.794 149 L N -1.149 120.075 121.223 0.002 0.000 2.592 149 L HA 0.165 4.505 4.340 0.001 0.000 0.227 149 L C 1.551 178.430 176.870 0.015 0.000 1.127 149 L CA 0.256 55.098 54.840 0.004 0.000 0.884 149 L CB -0.171 41.889 42.059 0.001 0.000 1.065 149 L HN -0.170 nan 8.230 nan 0.000 0.457 150 R N -0.205 120.312 120.500 0.029 0.000 2.776 150 R HA 0.217 4.557 4.340 0.001 0.000 0.391 150 R C -0.351 175.994 176.300 0.075 0.000 1.116 150 R CA -0.272 55.858 56.100 0.050 0.000 1.056 150 R CB 0.225 30.560 30.300 0.059 0.000 1.369 150 R HN 0.054 nan 8.270 nan 0.000 0.590 151 N N 0.604 119.321 118.700 0.028 0.000 2.459 151 N HA 0.354 5.094 4.740 0.001 0.000 0.288 151 N C -0.637 174.756 175.510 -0.195 0.000 1.186 151 N CA -0.628 52.410 53.050 -0.020 0.000 0.917 151 N CB 1.231 39.709 38.487 -0.016 0.000 1.219 151 N HN 0.093 nan 8.380 nan 0.000 0.525 152 L N 2.085 123.009 121.223 -0.499 0.000 2.494 152 L HA 0.188 4.529 4.340 0.001 0.000 0.251 152 L C 1.485 178.133 176.870 -0.371 0.000 1.119 152 L CA -0.251 54.169 54.840 -0.700 0.000 1.026 152 L CB 0.300 41.501 42.059 -1.430 0.000 1.370 152 L HN 0.637 nan 8.230 nan 0.000 0.426 153 S N -0.339 115.250 115.700 -0.184 0.000 2.419 153 S HA -0.134 4.337 4.470 0.001 0.000 0.235 153 S C 1.801 176.353 174.600 -0.080 0.000 1.019 153 S CA 1.121 59.267 58.200 -0.089 0.000 0.982 153 S CB -0.183 62.983 63.200 -0.058 0.000 0.789 153 S HN 0.630 nan 8.310 nan 0.000 0.490 154 G N 0.365 109.101 108.800 -0.108 0.000 2.623 154 G HA2 0.074 4.034 3.960 0.001 0.000 0.214 154 G HA3 0.074 4.034 3.960 0.001 0.000 0.214 154 G C 0.624 175.485 174.900 -0.065 0.000 1.138 154 G CA -0.227 44.826 45.100 -0.078 0.000 0.794 154 G HN 0.392 nan 8.290 nan 0.000 0.535 155 Q N 0.644 120.385 119.800 -0.100 0.000 2.311 155 Q HA 0.509 4.850 4.340 0.001 0.000 0.272 155 Q C -0.132 175.900 176.000 0.054 0.000 1.012 155 Q CA 0.234 56.017 55.803 -0.033 0.000 0.891 155 Q CB 1.382 30.081 28.738 -0.065 0.000 1.201 155 Q HN 0.284 nan 8.270 nan 0.000 0.391 156 A N 2.108 124.973 122.820 0.074 0.000 2.594 156 A HA 0.754 5.075 4.320 0.001 0.000 0.291 156 A C -0.956 176.700 177.584 0.120 0.000 1.105 156 A CA -0.563 51.525 52.037 0.086 0.000 0.694 156 A CB 1.358 20.387 19.000 0.049 0.000 1.291 156 A HN 0.475 nan 8.150 nan 0.000 0.410 157 V N -2.142 117.854 119.914 0.137 0.000 2.960 157 V HA 0.938 5.059 4.120 0.001 0.000 0.315 157 V C -0.394 175.793 176.094 0.154 0.000 1.087 157 V CA -0.523 61.880 62.300 0.172 0.000 0.982 157 V CB 1.609 33.585 31.823 0.254 0.000 1.039 157 V HN 0.860 nan 8.190 nan 0.000 0.437 158 T N 2.626 117.273 114.554 0.155 0.000 2.792 158 T HA 0.589 4.939 4.350 0.001 0.000 0.280 158 T C -0.305 174.449 174.700 0.090 0.000 0.990 158 T CA -0.456 61.725 62.100 0.135 0.000 0.960 158 T CB 1.108 70.084 68.868 0.180 0.000 0.939 158 T HN 0.767 nan 8.240 nan 0.000 0.439 159 R N 2.507 123.049 120.500 0.069 0.000 2.477 159 R HA 0.575 4.916 4.340 0.001 0.000 0.285 159 R C -0.663 175.659 176.300 0.037 0.000 1.415 159 R CA -0.564 55.550 56.100 0.023 0.000 1.446 159 R CB 0.786 31.078 30.300 -0.015 0.000 1.110 159 R HN 0.510 nan 8.270 nan 0.000 0.590 160 V N -1.914 118.023 119.914 0.039 0.000 3.147 160 V HA 0.491 4.612 4.120 0.001 0.000 0.306 160 V C 0.002 176.117 176.094 0.036 0.000 1.209 160 V CA -1.117 61.209 62.300 0.044 0.000 1.023 160 V CB 2.043 33.901 31.823 0.060 0.000 1.059 160 V HN 0.103 nan 8.190 nan 0.000 0.435 161 V N 3.289 123.227 119.914 0.039 0.000 2.540 161 V HA 0.490 4.610 4.120 0.001 0.000 0.297 161 V C 1.708 177.824 176.094 0.037 0.000 1.024 161 V CA 1.944 64.268 62.300 0.040 0.000 1.105 161 V CB 0.019 31.869 31.823 0.044 0.000 0.938 161 V HN 2.060 nan 8.190 nan 0.000 0.482 162 G N 3.278 112.095 108.800 0.028 0.000 2.194 162 G HA2 0.018 3.979 3.960 0.001 0.000 0.236 162 G HA3 0.018 3.979 3.960 0.001 0.000 0.236 162 G C 0.986 175.868 174.900 -0.030 0.000 0.987 162 G CA 0.257 45.362 45.100 0.010 0.000 0.635 162 G HN 2.154 nan 8.290 nan 0.000 0.520 163 G N 0.017 108.809 108.800 -0.013 0.000 2.574 163 G HA2 -0.237 3.723 3.960 0.001 0.000 0.282 163 G HA3 -0.237 3.723 3.960 0.001 0.000 0.282 163 G C 1.118 175.969 174.900 -0.081 0.000 1.257 163 G CA 1.077 46.163 45.100 -0.024 0.000 0.956 163 G HN 1.105 nan 8.290 nan 0.000 0.560 164 M N 1.502 121.020 119.600 -0.137 0.000 2.630 164 M HA 0.028 4.508 4.480 0.001 0.000 0.254 164 M C 2.613 178.589 176.300 -0.539 0.000 1.092 164 M CA 1.628 56.711 55.300 -0.361 0.000 1.087 164 M CB -0.159 32.319 32.600 -0.205 0.000 1.453 164 M HN 0.718 nan 8.290 nan 0.000 0.509 165 S N -0.507 114.927 115.700 -0.444 0.000 2.607 165 S HA -0.055 4.415 4.470 0.001 0.000 0.224 165 S C 1.693 176.163 174.600 -0.217 0.000 0.969 165 S CA 1.044 58.869 58.200 -0.625 0.000 0.927 165 S CB -0.889 61.955 63.200 -0.593 0.000 0.772 165 S HN 0.567 nan 8.310 nan 0.000 0.533 166 T N -0.620 113.815 114.554 -0.199 0.000 3.118 166 T HA 0.023 4.374 4.350 0.001 0.000 0.260 166 T C 1.368 175.911 174.700 -0.262 0.000 1.139 166 T CA 0.869 62.879 62.100 -0.150 0.000 1.085 166 T CB -0.680 68.192 68.868 0.008 0.000 0.934 166 T HN 0.899 nan 8.240 nan 0.000 0.518 167 H N -1.947 117.066 119.070 -0.095 0.000 3.680 167 H HA 0.198 4.754 4.556 0.001 0.000 0.260 167 H C 0.545 176.093 175.328 0.367 0.000 1.183 167 H CA -1.030 55.105 56.048 0.145 0.000 1.159 167 H CB -0.498 29.355 29.762 0.152 0.000 1.567 167 H HN 0.482 nan 8.280 nan 0.000 0.648 168 W N 2.793 124.043 121.300 -0.082 0.000 2.089 168 W HA 0.228 4.888 4.660 0.001 0.000 0.355 168 W C 0.087 176.719 176.519 0.189 0.000 1.305 168 W CA -0.060 57.349 57.345 0.106 0.000 1.281 168 W CB -0.232 29.224 29.460 -0.006 0.000 1.183 168 W HN -0.183 nan 8.180 nan 0.000 0.604 169 T N 1.243 115.789 114.554 -0.015 0.000 3.085 169 T HA -0.033 4.318 4.350 0.001 0.000 0.263 169 T C 1.078 175.375 174.700 -0.672 0.000 1.127 169 T CA 1.284 63.210 62.100 -0.289 0.000 1.103 169 T CB -0.534 68.327 68.868 -0.012 0.000 0.921 169 T HN 0.671 nan 8.240 nan 0.000 0.510 170 C N 0.937 119.447 119.300 -1.317 0.000 4.465 170 C HA -0.112 4.349 4.460 0.001 0.000 0.274 170 C C 1.073 175.585 174.990 -0.798 0.000 1.337 170 C CA -0.700 57.277 59.018 -1.736 0.000 1.822 170 C CB -2.728 24.506 27.740 -0.843 0.000 1.357 170 C HN 0.753 nan 8.230 nan 0.000 0.753 171 A N 1.073 123.624 122.820 -0.449 0.000 2.347 171 A HA 0.582 4.902 4.320 0.001 0.000 0.287 171 A C 0.747 178.254 177.584 -0.128 0.000 1.199 171 A CA 1.000 52.928 52.037 -0.182 0.000 0.851 171 A CB 0.211 19.171 19.000 -0.066 0.000 1.118 171 A HN 1.325 nan 8.150 nan 0.000 0.525 172 T N 1.668 116.163 114.554 -0.099 0.000 3.466 172 T HA 0.507 4.858 4.350 0.001 0.000 0.297 172 T C -2.643 172.017 174.700 -0.068 0.000 1.640 172 T CA -1.519 60.558 62.100 -0.039 0.000 1.631 172 T CB 0.543 69.424 68.868 0.021 0.000 0.928 172 T HN 0.463 nan 8.240 nan 0.000 0.688 173 P HA 0.359 nan 4.420 nan 0.000 0.277 173 P C -0.186 176.976 177.300 -0.231 0.000 1.240 173 P CA -0.647 62.357 63.100 -0.160 0.000 0.798 173 P CB 1.203 32.776 31.700 -0.212 0.000 0.979 174 R N 1.014 121.292 120.500 -0.369 0.000 2.641 174 R HA 0.323 4.664 4.340 0.001 0.000 0.269 174 R C 0.162 176.324 176.300 -0.230 0.000 1.074 174 R CA -0.358 55.322 56.100 -0.699 0.000 1.133 174 R CB 0.103 29.861 30.300 -0.904 0.000 1.029 174 R HN 0.387 nan 8.270 nan 0.000 0.488 175 F N 2.196 121.910 119.950 -0.393 0.000 2.443 175 F HA 0.021 4.548 4.527 0.001 0.000 0.353 175 F C 1.048 176.654 175.800 -0.324 0.000 1.101 175 F CA -1.328 56.468 58.000 -0.339 0.000 1.226 175 F CB 0.170 38.963 39.000 -0.344 0.000 1.140 175 F HN 0.547 nan 8.300 nan 0.000 0.557 176 D N 2.769 123.082 120.400 -0.144 0.000 2.411 176 D HA 0.127 4.767 4.640 0.001 0.000 0.251 176 D C 1.068 177.270 176.300 -0.163 0.000 1.201 176 D CA -0.441 53.474 54.000 -0.141 0.000 0.996 176 D CB 0.581 41.309 40.800 -0.120 0.000 1.101 176 D HN 0.449 nan 8.370 nan 0.000 0.504 177 R N -0.093 120.338 120.500 -0.114 0.000 2.103 177 R HA -0.196 4.144 4.340 0.001 0.000 0.242 177 R C 2.025 178.257 176.300 -0.113 0.000 1.142 177 R CA 2.048 58.088 56.100 -0.099 0.000 0.960 177 R CB -0.484 29.793 30.300 -0.039 0.000 0.858 177 R HN 0.753 nan 8.270 nan 0.000 0.439 178 E N 0.802 120.928 120.200 -0.124 0.000 2.265 178 E HA -0.224 4.126 4.350 0.001 0.000 0.196 178 E C 1.377 177.855 176.600 -0.204 0.000 0.996 178 E CA 1.096 57.428 56.400 -0.112 0.000 0.832 178 E CB -0.097 29.576 29.700 -0.044 0.000 0.756 178 E HN 0.479 nan 8.360 nan 0.000 0.491 179 Q N 0.178 119.764 119.800 -0.357 0.000 2.356 179 Q HA 0.158 4.498 4.340 0.001 0.000 0.205 179 Q C 0.405 176.278 176.000 -0.211 0.000 0.901 179 Q CA -0.150 55.376 55.803 -0.463 0.000 0.938 179 Q CB 0.579 28.750 28.738 -0.944 0.000 1.081 179 Q HN 0.049 nan 8.270 nan 0.000 0.517 180 R N 1.972 122.395 120.500 -0.129 0.000 2.460 180 R HA 0.302 4.642 4.340 0.001 0.000 0.303 180 R C -2.573 173.682 176.300 -0.076 0.000 0.968 180 R CA -2.143 53.875 56.100 -0.136 0.000 0.889 180 R CB 1.008 31.059 30.300 -0.415 0.000 1.123 180 R HN -0.131 nan 8.270 nan 0.000 0.455 181 P HA 0.022 nan 4.420 nan 0.000 0.271 181 P C -0.505 176.941 177.300 0.243 0.000 1.218 181 P CA -0.073 63.101 63.100 0.124 0.000 0.780 181 P CB 0.603 32.401 31.700 0.165 0.000 0.901 182 L N 2.942 124.270 121.223 0.176 0.000 2.455 182 L HA 0.078 4.419 4.340 0.001 0.000 0.272 182 L C 1.684 178.680 176.870 0.210 0.000 1.174 182 L CA -0.004 54.999 54.840 0.272 0.000 0.869 182 L CB 0.108 42.364 42.059 0.329 0.000 1.130 182 L HN 0.383 nan 8.230 nan 0.000 0.474 183 L N 3.957 125.364 121.223 0.307 0.000 2.470 183 L HA 0.172 4.513 4.340 0.001 0.000 0.219 183 L C -0.070 176.973 176.870 0.289 0.000 1.071 183 L CA 0.228 55.143 54.840 0.125 0.000 0.850 183 L CB 0.547 42.478 42.059 -0.213 0.000 1.040 183 L HN 0.326 nan 8.230 nan 0.000 0.475 184 V N 1.384 121.474 119.914 0.293 0.000 2.487 184 V HA 0.212 4.332 4.120 0.001 0.000 0.298 184 V C -0.221 175.988 176.094 0.192 0.000 1.028 184 V CA -1.088 61.332 62.300 0.199 0.000 0.860 184 V CB 1.607 33.491 31.823 0.102 0.000 0.991 184 V HN 0.191 nan 8.190 nan 0.000 0.427 185 K N 2.599 122.988 120.400 -0.019 0.000 2.202 185 K HA 0.287 4.607 4.320 0.001 0.000 0.264 185 K C -0.157 176.422 176.600 -0.035 0.000 1.010 185 K CA -0.483 55.741 56.287 -0.104 0.000 0.940 185 K CB 0.424 32.638 32.500 -0.478 0.000 0.983 185 K HN 0.648 nan 8.250 nan 0.000 0.475 186 D N 1.008 121.408 120.400 0.001 0.000 2.702 186 D HA -0.186 4.455 4.640 0.001 0.000 0.233 186 D C -0.740 175.570 176.300 0.016 0.000 1.164 186 D CA 1.464 55.468 54.000 0.007 0.000 0.638 186 D CB -0.659 40.131 40.800 -0.016 0.000 1.041 186 D HN 0.727 nan 8.370 nan 0.000 0.422 187 D N -1.514 118.909 120.400 0.037 0.000 2.474 187 D HA 0.362 5.002 4.640 0.001 0.000 0.234 187 D C 0.813 177.151 176.300 0.063 0.000 1.323 187 D CA 0.114 54.139 54.000 0.041 0.000 0.915 187 D CB 0.437 41.254 40.800 0.029 0.000 1.487 187 D HN -0.017 nan 8.370 nan 0.000 0.524 188 A N 2.425 125.283 122.820 0.063 0.000 1.933 188 A HA -0.159 4.162 4.320 0.001 0.000 0.218 188 A C 1.629 179.261 177.584 0.079 0.000 1.175 188 A CA 1.437 53.520 52.037 0.076 0.000 0.628 188 A CB -0.018 19.019 19.000 0.061 0.000 0.814 188 A HN 0.478 nan 8.150 nan 0.000 0.444 189 D N 0.009 120.446 120.400 0.062 0.000 2.123 189 D HA 0.006 4.646 4.640 0.001 0.000 0.200 189 D C 2.237 178.576 176.300 0.064 0.000 0.976 189 D CA 1.408 55.443 54.000 0.059 0.000 0.831 189 D CB -0.418 40.408 40.800 0.043 0.000 0.974 189 D HN 0.427 nan 8.370 nan 0.000 0.469 190 A N 0.953 123.808 122.820 0.058 0.000 1.930 190 A HA -0.199 4.122 4.320 0.001 0.000 0.217 190 A C 1.956 179.584 177.584 0.074 0.000 1.175 190 A CA 1.929 53.997 52.037 0.052 0.000 0.627 190 A CB -0.606 18.417 19.000 0.038 0.000 0.815 190 A HN 0.164 nan 8.150 nan 0.000 0.443 191 D N -0.147 120.320 120.400 0.112 0.000 2.092 191 D HA -0.178 4.462 4.640 0.001 0.000 0.193 191 D C 1.300 177.756 176.300 0.261 0.000 0.994 191 D CA 1.675 55.788 54.000 0.189 0.000 0.828 191 D CB -0.119 40.819 40.800 0.230 0.000 0.963 191 D HN 0.351 nan 8.370 nan 0.000 0.450 192 D N -0.209 120.313 120.400 0.205 0.000 2.104 192 D HA -0.159 4.481 4.640 0.001 0.000 0.194 192 D C 1.986 178.396 176.300 0.183 0.000 0.994 192 D CA 1.568 55.690 54.000 0.202 0.000 0.830 192 D CB -0.618 40.257 40.800 0.125 0.000 0.959 192 D HN 0.342 nan 8.370 nan 0.000 0.452 193 A N 0.507 123.396 122.820 0.115 0.000 1.930 193 A HA -0.177 4.143 4.320 0.001 0.000 0.217 193 A C 2.127 179.739 177.584 0.047 0.000 1.175 193 A CA 1.829 53.911 52.037 0.075 0.000 0.627 193 A CB -0.462 18.565 19.000 0.045 0.000 0.815 193 A HN 0.188 nan 8.150 nan 0.000 0.443 194 E N -0.829 119.380 120.200 0.016 0.000 2.047 194 E HA -0.194 4.156 4.350 0.001 0.000 0.191 194 E C 1.675 178.179 176.600 -0.160 0.000 0.987 194 E CA 1.521 57.858 56.400 -0.106 0.000 0.799 194 E CB -0.452 29.143 29.700 -0.176 0.000 0.752 194 E HN 0.711 nan 8.360 nan 0.000 0.449 195 W N 0.828 122.097 121.300 -0.052 0.000 2.338 195 W HA -0.152 4.508 4.660 0.001 0.000 0.304 195 W C 2.222 178.742 176.519 0.002 0.000 1.212 195 W CA 1.325 58.611 57.345 -0.099 0.000 1.264 195 W CB -0.442 29.009 29.460 -0.016 0.000 1.142 195 W HN 0.252 nan 8.180 nan 0.000 0.512 196 D N -0.112 120.467 120.400 0.298 0.000 2.117 196 D HA -0.207 4.433 4.640 0.001 0.000 0.197 196 D C 2.129 178.505 176.300 0.126 0.000 0.987 196 D CA 1.445 55.583 54.000 0.230 0.000 0.829 196 D CB -0.237 40.653 40.800 0.150 0.000 0.961 196 D HN -0.029 nan 8.370 nan 0.000 0.460 197 R N -0.417 120.107 120.500 0.041 0.000 2.073 197 R HA -0.080 4.260 4.340 0.001 0.000 0.234 197 R C 2.485 178.741 176.300 -0.074 0.000 1.134 197 R CA 1.135 57.220 56.100 -0.025 0.000 0.952 197 R CB -0.280 29.984 30.300 -0.060 0.000 0.850 197 R HN 0.259 nan 8.270 nan 0.000 0.433 198 L N -0.705 120.436 121.223 -0.137 0.000 2.027 198 L HA -0.179 4.161 4.340 0.001 0.000 0.206 198 L C 2.334 179.117 176.870 -0.145 0.000 1.074 198 L CA 1.144 55.844 54.840 -0.234 0.000 0.745 198 L CB -0.599 41.203 42.059 -0.428 0.000 0.898 198 L HN 0.204 nan 8.230 nan 0.000 0.433 199 Y N 0.348 120.647 120.300 -0.001 0.000 2.207 199 Y HA -0.250 4.300 4.550 0.001 0.000 0.287 199 Y C 2.867 178.743 175.900 -0.040 0.000 1.156 199 Y CA 1.597 59.704 58.100 0.012 0.000 1.182 199 Y CB -1.103 37.398 38.460 0.068 0.000 0.979 199 Y HN 0.140 nan 8.280 nan 0.000 0.521 200 T N -0.499 114.124 114.554 0.114 0.000 2.777 200 T HA -0.188 4.162 4.350 0.001 0.000 0.266 200 T C 1.976 176.642 174.700 -0.057 0.000 1.040 200 T CA 1.602 63.724 62.100 0.035 0.000 1.141 200 T CB -0.150 68.733 68.868 0.024 0.000 0.868 200 T HN 0.221 nan 8.240 nan 0.000 0.444 201 K N 0.947 121.252 120.400 -0.158 0.000 2.057 201 K HA 0.013 4.334 4.320 0.001 0.000 0.207 201 K C 2.458 178.711 176.600 -0.578 0.000 1.049 201 K CA 1.146 57.212 56.287 -0.369 0.000 0.931 201 K CB -0.287 31.952 32.500 -0.436 0.000 0.714 201 K HN 0.258 nan 8.250 nan 0.000 0.440 202 A N 1.146 123.738 122.820 -0.380 0.000 1.933 202 A HA -0.188 4.132 4.320 0.001 0.000 0.218 202 A C 1.804 179.384 177.584 -0.007 0.000 1.175 202 A CA 1.722 53.605 52.037 -0.256 0.000 0.628 202 A CB -0.470 18.490 19.000 -0.067 0.000 0.814 202 A HN 0.464 nan 8.150 nan 0.000 0.444 203 E N -0.599 119.639 120.200 0.064 0.000 2.153 203 E HA -0.134 4.216 4.350 0.001 0.000 0.194 203 E C 2.204 178.883 176.600 0.131 0.000 0.988 203 E CA 1.096 57.580 56.400 0.141 0.000 0.811 203 E CB -0.137 29.622 29.700 0.098 0.000 0.746 203 E HN 0.582 nan 8.360 nan 0.000 0.466 204 S N -0.482 115.244 115.700 0.044 0.000 2.368 204 S HA -0.141 4.330 4.470 0.001 0.000 0.224 204 S C 1.716 176.459 174.600 0.239 0.000 1.029 204 S CA 0.833 59.093 58.200 0.100 0.000 0.988 204 S CB -0.145 63.086 63.200 0.051 0.000 0.838 204 S HN 0.281 nan 8.310 nan 0.000 0.462 205 Y N -0.059 120.250 120.300 0.015 0.000 2.242 205 Y HA 0.083 4.633 4.550 0.001 0.000 0.291 205 Y C 1.922 177.842 175.900 0.032 0.000 1.137 205 Y CA 0.225 58.297 58.100 -0.047 0.000 1.181 205 Y CB -0.887 37.459 38.460 -0.190 0.000 0.989 205 Y HN 0.331 nan 8.280 nan 0.000 0.527 206 F N 0.124 120.226 119.950 0.252 0.000 2.754 206 F HA 0.082 4.610 4.527 0.001 0.000 0.297 206 F C 0.770 176.682 175.800 0.187 0.000 1.122 206 F CA 0.048 58.191 58.000 0.238 0.000 1.400 206 F CB -0.166 38.994 39.000 0.267 0.000 1.117 206 F HN -0.046 nan 8.300 nan 0.000 0.587 207 Q N 0.584 120.576 119.800 0.320 0.000 2.468 207 Q HA -0.189 4.151 4.340 0.001 0.000 0.289 207 Q C 0.098 176.189 176.000 0.153 0.000 1.299 207 Q CA 0.772 56.690 55.803 0.191 0.000 0.838 207 Q CB -2.699 26.127 28.738 0.147 0.000 1.195 207 Q HN 0.222 nan 8.270 nan 0.000 0.456 208 T N -0.068 114.591 114.554 0.176 0.000 2.940 208 T HA 0.437 4.787 4.350 0.001 0.000 0.309 208 T C 0.796 175.532 174.700 0.060 0.000 1.056 208 T CA 0.611 62.776 62.100 0.108 0.000 1.137 208 T CB 1.293 70.236 68.868 0.123 0.000 0.976 208 T HN 0.504 nan 8.240 nan 0.000 0.547 209 G N 0.493 109.313 108.800 0.034 0.000 2.677 209 G HA2 0.527 4.487 3.960 0.001 0.000 0.291 209 G HA3 0.527 4.487 3.960 0.001 0.000 0.291 209 G C 0.005 174.919 174.900 0.023 0.000 1.435 209 G CA -0.557 44.554 45.100 0.018 0.000 0.826 209 G HN 0.645 nan 8.290 nan 0.000 0.491 210 T N -2.309 112.259 114.554 0.024 0.000 3.288 210 T HA 0.272 4.622 4.350 0.001 0.000 0.293 210 T C 0.212 174.934 174.700 0.037 0.000 1.008 210 T CA 0.520 62.645 62.100 0.041 0.000 0.929 210 T CB 0.393 69.288 68.868 0.045 0.000 1.152 210 T HN 0.519 nan 8.240 nan 0.000 0.517 211 D N 0.390 120.794 120.400 0.007 0.000 2.500 211 D HA 0.047 4.687 4.640 0.001 0.000 0.217 211 D C 1.334 177.580 176.300 -0.090 0.000 1.159 211 D CA -0.043 53.940 54.000 -0.028 0.000 0.828 211 D CB -0.059 40.718 40.800 -0.039 0.000 1.039 211 D HN 0.266 nan 8.370 nan 0.000 0.512 212 Q N -0.445 119.301 119.800 -0.090 0.000 2.369 212 Q HA 0.148 4.489 4.340 0.001 0.000 0.206 212 Q C 0.274 175.939 176.000 -0.558 0.000 0.963 212 Q CA 0.887 56.511 55.803 -0.298 0.000 0.894 212 Q CB -0.211 28.332 28.738 -0.324 0.000 0.965 212 Q HN 0.279 nan 8.270 nan 0.000 0.475 213 F N -0.318 119.474 119.950 -0.263 0.000 2.735 213 F HA 0.227 4.754 4.527 0.001 0.000 0.308 213 F C 1.255 176.838 175.800 -0.361 0.000 1.112 213 F CA -0.584 57.217 58.000 -0.332 0.000 1.235 213 F CB 0.380 39.132 39.000 -0.413 0.000 1.027 213 F HN -0.016 nan 8.300 nan 0.000 0.528 214 K N 0.402 120.712 120.400 -0.151 0.000 2.152 214 K HA -0.168 4.152 4.320 0.001 0.000 0.206 214 K C 0.980 177.542 176.600 -0.063 0.000 1.048 214 K CA 1.872 58.124 56.287 -0.058 0.000 0.933 214 K CB -0.219 32.246 32.500 -0.059 0.000 0.721 214 K HN 0.301 nan 8.250 nan 0.000 0.447 215 E N 1.522 121.571 120.200 -0.251 0.000 2.451 215 E HA 0.060 4.410 4.350 0.001 0.000 0.194 215 E C -0.740 175.756 176.600 -0.174 0.000 1.027 215 E CA -0.378 55.699 56.400 -0.537 0.000 0.914 215 E CB 0.821 29.992 29.700 -0.881 0.000 1.054 215 E HN 0.274 nan 8.360 nan 0.000 0.461 216 S N 0.303 116.022 115.700 0.032 0.000 2.528 216 S HA 0.136 4.606 4.470 0.001 0.000 0.277 216 S C 1.184 175.875 174.600 0.151 0.000 1.297 216 S CA -0.406 57.854 58.200 0.100 0.000 1.052 216 S CB 0.530 63.834 63.200 0.174 0.000 0.917 216 S HN 0.228 nan 8.310 nan 0.000 0.492 217 I N 4.825 125.360 120.570 -0.058 0.000 2.202 217 I HA -0.146 4.024 4.170 0.001 0.000 0.242 217 I C 2.737 178.690 176.117 -0.272 0.000 1.091 217 I CA 1.163 62.177 61.300 -0.476 0.000 1.368 217 I CB -0.206 37.256 38.000 -0.898 0.000 1.058 217 I HN 0.701 nan 8.210 nan 0.000 0.410 218 R N -0.517 119.909 120.500 -0.123 0.000 2.073 218 R HA -0.238 4.102 4.340 0.001 0.000 0.234 218 R C 2.369 178.703 176.300 0.056 0.000 1.134 218 R CA 1.848 57.927 56.100 -0.036 0.000 0.952 218 R CB -0.761 29.532 30.300 -0.012 0.000 0.850 218 R HN 0.420 nan 8.270 nan 0.000 0.433 219 H N 1.182 120.275 119.070 0.039 0.000 2.289 219 H HA -0.099 4.458 4.556 0.001 0.000 0.296 219 H C 1.764 177.166 175.328 0.122 0.000 1.091 219 H CA 2.050 58.144 56.048 0.078 0.000 1.274 219 H CB -0.094 29.747 29.762 0.132 0.000 1.364 219 H HN 0.136 nan 8.280 nan 0.000 0.490 220 N N -0.046 118.778 118.700 0.205 0.000 2.270 220 N HA -0.111 4.629 4.740 0.001 0.000 0.181 220 N C 2.019 177.678 175.510 0.248 0.000 1.016 220 N CA 0.906 54.111 53.050 0.257 0.000 0.870 220 N CB -0.166 38.665 38.487 0.573 0.000 0.979 220 N HN 0.324 nan 8.380 nan 0.000 0.431 221 L N 1.170 122.544 121.223 0.251 0.000 2.017 221 L HA -0.107 4.233 4.340 0.001 0.000 0.208 221 L C 2.074 179.000 176.870 0.094 0.000 1.073 221 L CA 1.360 56.349 54.840 0.249 0.000 0.745 221 L CB -0.476 41.684 42.059 0.168 0.000 0.894 221 L HN -0.136 nan 8.230 nan 0.000 0.432 222 V N -0.777 119.141 119.914 0.007 0.000 2.323 222 V HA -0.225 3.895 4.120 0.001 0.000 0.244 222 V C 2.425 178.441 176.094 -0.131 0.000 1.041 222 V CA 1.506 63.774 62.300 -0.053 0.000 1.025 222 V CB -0.673 31.094 31.823 -0.093 0.000 0.656 222 V HN 0.505 nan 8.190 nan 0.000 0.451 223 L N 1.139 122.245 121.223 -0.194 0.000 1.990 223 L HA -0.210 4.130 4.340 0.001 0.000 0.213 223 L C 2.182 178.982 176.870 -0.117 0.000 1.072 223 L CA 2.199 56.917 54.840 -0.202 0.000 0.755 223 L CB -0.954 40.949 42.059 -0.260 0.000 0.889 223 L HN 0.314 nan 8.230 nan 0.000 0.432 224 N N -0.282 118.398 118.700 -0.032 0.000 2.188 224 N HA -0.186 4.554 4.740 0.001 0.000 0.184 224 N C 1.831 177.324 175.510 -0.030 0.000 1.018 224 N CA 1.285 54.335 53.050 -0.001 0.000 0.858 224 N CB -0.279 38.233 38.487 0.041 0.000 0.989 224 N HN 0.320 nan 8.380 nan 0.000 0.426 225 K N 1.229 121.609 120.400 -0.034 0.000 2.057 225 K HA 0.084 4.404 4.320 0.001 0.000 0.206 225 K C 1.887 178.442 176.600 -0.075 0.000 1.050 225 K CA 0.851 57.117 56.287 -0.034 0.000 0.935 225 K CB -0.328 32.171 32.500 -0.003 0.000 0.715 225 K HN 0.104 nan 8.250 nan 0.000 0.439 226 L N 0.002 121.107 121.223 -0.196 0.000 2.109 226 L HA -0.116 4.225 4.340 0.001 0.000 0.207 226 L C 2.204 178.906 176.870 -0.280 0.000 1.086 226 L CA 1.440 56.059 54.840 -0.369 0.000 0.760 226 L CB -0.697 40.727 42.059 -1.058 0.000 0.910 226 L HN 0.226 nan 8.230 nan 0.000 0.437 227 T N -0.604 113.821 114.554 -0.215 0.000 2.665 227 T HA -0.288 4.062 4.350 0.001 0.000 0.268 227 T C 1.772 176.527 174.700 0.091 0.000 1.035 227 T CA 1.944 64.082 62.100 0.063 0.000 1.151 227 T CB -0.132 68.778 68.868 0.069 0.000 0.862 227 T HN 0.393 nan 8.240 nan 0.000 0.438 228 E N 0.547 120.762 120.200 0.026 0.000 2.047 228 E HA -0.165 4.185 4.350 0.001 0.000 0.191 228 E C 2.249 178.853 176.600 0.006 0.000 0.987 228 E CA 0.978 57.387 56.400 0.016 0.000 0.799 228 E CB 0.030 29.722 29.700 -0.014 0.000 0.752 228 E HN 0.317 nan 8.360 nan 0.000 0.449 229 E N -0.287 119.905 120.200 -0.014 0.000 2.118 229 E HA -0.179 4.172 4.350 0.001 0.000 0.195 229 E C 0.830 177.296 176.600 -0.223 0.000 0.992 229 E CA 1.051 57.372 56.400 -0.131 0.000 0.804 229 E CB -0.054 29.545 29.700 -0.169 0.000 0.741 229 E HN 0.486 nan 8.360 nan 0.000 0.458 230 Y N 0.431 120.773 120.300 0.071 0.000 2.708 230 Y HA 0.196 4.747 4.550 0.001 0.000 0.287 230 Y C 0.540 176.506 175.900 0.111 0.000 1.145 230 Y CA -0.385 57.794 58.100 0.130 0.000 1.249 230 Y CB 0.234 38.864 38.460 0.283 0.000 1.152 230 Y HN -0.283 nan 8.280 nan 0.000 0.532 231 K N 0.782 121.273 120.400 0.152 0.000 2.466 231 K HA 0.118 4.438 4.320 0.001 0.000 0.278 231 K C 1.159 177.819 176.600 0.101 0.000 1.048 231 K CA 1.269 57.625 56.287 0.115 0.000 1.088 231 K CB -0.107 32.428 32.500 0.059 0.000 0.884 231 K HN 0.690 nan 8.250 nan 0.000 0.478 232 G N 3.157 112.020 108.800 0.105 0.000 2.148 232 G HA2 -0.286 3.674 3.960 0.001 0.000 0.254 232 G HA3 -0.286 3.674 3.960 0.001 0.000 0.254 232 G C 0.517 175.474 174.900 0.094 0.000 0.981 232 G CA 0.681 45.830 45.100 0.082 0.000 0.670 232 G HN 0.744 nan 8.290 nan 0.000 0.528 233 Q N -1.634 118.249 119.800 0.138 0.000 2.527 233 Q HA 0.253 4.593 4.340 0.001 0.000 0.252 233 Q C 1.102 177.189 176.000 0.146 0.000 0.827 233 Q CA 0.094 55.989 55.803 0.152 0.000 0.979 233 Q CB 1.157 30.020 28.738 0.208 0.000 1.248 233 Q HN 0.445 nan 8.270 nan 0.000 0.578 234 R N 0.630 121.225 120.500 0.159 0.000 2.668 234 R HA 0.347 4.687 4.340 0.001 0.000 0.272 234 R C -1.677 174.637 176.300 0.022 0.000 1.019 234 R CA -0.588 55.514 56.100 0.004 0.000 0.894 234 R CB 1.871 32.010 30.300 -0.268 0.000 1.228 234 R HN 0.004 nan 8.270 nan 0.000 0.460 235 D N 1.709 122.050 120.400 -0.098 0.000 2.163 235 D HA 0.400 5.041 4.640 0.001 0.000 0.248 235 D C -0.710 175.435 176.300 -0.258 0.000 1.035 235 D CA 0.067 54.045 54.000 -0.037 0.000 0.872 235 D CB 1.417 42.213 40.800 -0.006 0.000 1.183 235 D HN 0.141 nan 8.370 nan 0.000 0.445 236 F N 0.632 120.586 119.950 0.007 0.000 2.546 236 F HA 0.359 4.886 4.527 0.001 0.000 0.320 236 F C 0.612 176.426 175.800 0.023 0.000 1.076 236 F CA -0.590 57.407 58.000 -0.005 0.000 0.928 236 F CB 1.924 40.914 39.000 -0.016 0.000 1.189 236 F HN 0.227 nan 8.300 nan 0.000 0.465 237 Q N 0.020 119.936 119.800 0.193 0.000 2.814 237 Q HA 0.342 4.682 4.340 0.001 0.000 0.322 237 Q C -1.607 174.505 176.000 0.187 0.000 0.861 237 Q CA -1.295 54.605 55.803 0.163 0.000 0.773 237 Q CB 1.683 30.483 28.738 0.103 0.000 1.423 237 Q HN 0.599 nan 8.270 nan 0.000 0.495 238 Q N 0.869 120.797 119.800 0.213 0.000 2.352 238 Q HA 0.270 4.611 4.340 0.001 0.000 0.260 238 Q C -0.509 175.561 176.000 0.115 0.000 0.976 238 Q CA -0.270 55.669 55.803 0.227 0.000 0.881 238 Q CB 0.586 29.427 28.738 0.172 0.000 1.235 238 Q HN 0.575 nan 8.270 nan 0.000 0.419 239 I N 6.192 126.808 120.570 0.077 0.000 2.826 239 I HA -0.061 4.109 4.170 0.001 0.000 0.295 239 I C -1.967 174.170 176.117 0.032 0.000 1.213 239 I CA -1.367 59.955 61.300 0.037 0.000 1.436 239 I CB 0.139 38.127 38.000 -0.018 0.000 1.348 239 I HN 0.432 nan 8.210 nan 0.000 0.570 240 P HA 0.236 nan 4.420 nan 0.000 0.271 240 P C -0.919 176.378 177.300 -0.005 0.000 1.233 240 P CA 0.162 63.268 63.100 0.010 0.000 0.764 240 P CB 0.447 32.140 31.700 -0.012 0.000 0.825 241 L N 2.397 123.629 121.223 0.014 0.000 2.365 241 L HA 0.612 4.953 4.340 0.001 0.000 0.273 241 L C 0.375 177.242 176.870 -0.005 0.000 1.000 241 L CA -1.208 53.638 54.840 0.009 0.000 0.819 241 L CB 2.080 44.217 42.059 0.129 0.000 1.284 241 L HN 0.241 nan 8.230 nan 0.000 0.418 242 A N 3.161 125.938 122.820 -0.072 0.000 2.666 242 A HA 0.704 5.024 4.320 0.001 0.000 0.301 242 A C 0.132 177.735 177.584 0.033 0.000 1.470 242 A CA 0.281 52.314 52.037 -0.006 0.000 1.159 242 A CB -0.535 18.393 19.000 -0.119 0.000 1.116 242 A HN 0.814 nan 8.150 nan 0.000 0.548 243 A N 1.829 124.633 122.820 -0.025 0.000 2.583 243 A HA 0.730 5.050 4.320 0.001 0.000 0.292 243 A C -0.509 176.951 177.584 -0.208 0.000 1.045 243 A CA -0.477 51.436 52.037 -0.207 0.000 0.672 243 A CB 0.676 19.350 19.000 -0.542 0.000 1.283 243 A HN 0.670 nan 8.150 nan 0.000 0.419 244 T N 1.296 115.690 114.554 -0.266 0.000 2.881 244 T HA 0.473 4.824 4.350 0.001 0.000 0.291 244 T C -0.104 174.428 174.700 -0.279 0.000 0.990 244 T CA -0.426 61.552 62.100 -0.202 0.000 0.976 244 T CB 1.230 70.040 68.868 -0.095 0.000 0.970 244 T HN 0.729 nan 8.240 nan 0.000 0.438 245 R N 2.352 122.676 120.500 -0.293 0.000 2.449 245 R HA 0.195 4.536 4.340 0.001 0.000 0.296 245 R C 0.855 177.068 176.300 -0.144 0.000 1.047 245 R CA -0.268 55.658 56.100 -0.291 0.000 1.018 245 R CB 0.365 30.466 30.300 -0.332 0.000 0.962 245 R HN 0.387 nan 8.270 nan 0.000 0.428 246 R N 1.118 121.589 120.500 -0.048 0.000 2.175 246 R HA 0.121 4.461 4.340 0.001 0.000 0.202 246 R C 0.332 176.625 176.300 -0.012 0.000 1.018 246 R CA 0.764 56.876 56.100 0.021 0.000 1.029 246 R CB 0.124 30.523 30.300 0.165 0.000 0.959 246 R HN 0.749 nan 8.270 nan 0.000 0.480 247 S N -1.435 114.259 115.700 -0.009 0.000 2.643 247 S HA 0.388 4.859 4.470 0.001 0.000 0.270 247 S C -2.647 171.917 174.600 -0.061 0.000 1.166 247 S CA -1.075 57.108 58.200 -0.028 0.000 0.815 247 S CB 2.118 65.319 63.200 0.001 0.000 1.139 247 S HN -0.236 nan 8.310 nan 0.000 0.472 248 P HA 0.078 nan 4.420 nan 0.000 0.228 248 P C 0.893 178.161 177.300 -0.053 0.000 1.151 248 P CA 1.373 64.424 63.100 -0.082 0.000 0.770 248 P CB -0.155 31.511 31.700 -0.058 0.000 0.786 249 T N -6.618 107.937 114.554 0.002 0.000 3.111 249 T HA 0.287 4.638 4.350 0.001 0.000 0.284 249 T C -0.269 174.500 174.700 0.114 0.000 0.983 249 T CA -0.353 61.773 62.100 0.044 0.000 0.900 249 T CB -0.635 68.272 68.868 0.066 0.000 1.132 249 T HN -0.099 nan 8.240 nan 0.000 0.531 250 F N 1.676 121.566 119.950 -0.100 0.000 2.579 250 F HA 0.650 5.178 4.527 0.001 0.000 0.325 250 F C -1.494 174.181 175.800 -0.210 0.000 1.162 250 F CA -1.006 56.931 58.000 -0.105 0.000 0.946 250 F CB 1.862 40.815 39.000 -0.078 0.000 1.211 250 F HN -0.117 nan 8.300 nan 0.000 0.447 251 V N 5.495 124.999 119.914 -0.683 0.000 2.370 251 V HA 0.240 4.360 4.120 0.001 0.000 0.283 251 V C -0.185 175.230 176.094 -1.132 0.000 1.023 251 V CA -0.762 61.025 62.300 -0.856 0.000 0.857 251 V CB 1.561 32.736 31.823 -1.080 0.000 0.985 251 V HN 0.717 nan 8.190 nan 0.000 0.443 252 E N 4.817 124.621 120.200 -0.660 0.000 2.003 252 E HA 0.122 4.472 4.350 0.001 0.000 0.279 252 E C -1.004 175.334 176.600 -0.437 0.000 1.132 252 E CA -0.540 55.627 56.400 -0.387 0.000 0.888 252 E CB 0.386 30.098 29.700 0.021 0.000 1.056 252 E HN 0.627 nan 8.360 nan 0.000 0.399 253 W N 2.873 124.034 121.300 -0.232 0.000 2.190 253 W HA 0.098 4.759 4.660 0.001 0.000 0.330 253 W C 0.695 177.229 176.519 0.025 0.000 1.299 253 W CA -0.523 56.686 57.345 -0.226 0.000 1.215 253 W CB 0.723 29.808 29.460 -0.625 0.000 1.147 253 W HN 0.310 nan 8.180 nan 0.000 0.563 254 S N 1.651 117.556 115.700 0.342 0.000 2.624 254 S HA 0.641 5.112 4.470 0.001 0.000 0.263 254 S C 0.113 175.162 174.600 0.749 0.000 1.287 254 S CA -0.538 57.943 58.200 0.469 0.000 0.990 254 S CB 1.101 64.582 63.200 0.467 0.000 0.950 254 S HN 0.519 nan 8.310 nan 0.000 0.561 255 S N -0.568 115.521 115.700 0.648 0.000 2.683 255 S HA 0.648 5.118 4.470 0.001 0.000 0.269 255 S C 0.730 175.532 174.600 0.337 0.000 1.165 255 S CA -0.375 58.131 58.200 0.510 0.000 0.840 255 S CB 0.477 63.890 63.200 0.355 0.000 1.169 255 S HN 0.748 nan 8.310 nan 0.000 0.490 256 A N 1.559 124.471 122.820 0.152 0.000 1.927 256 A HA -0.206 4.115 4.320 0.001 0.000 0.220 256 A C 1.970 179.605 177.584 0.085 0.000 1.185 256 A CA 2.227 54.311 52.037 0.079 0.000 0.639 256 A CB -1.474 17.545 19.000 0.031 0.000 0.820 256 A HN 0.849 nan 8.150 nan 0.000 0.451 257 N N -0.663 118.097 118.700 0.099 0.000 2.223 257 N HA -0.143 4.597 4.740 0.001 0.000 0.185 257 N C 1.520 177.059 175.510 0.048 0.000 1.016 257 N CA 1.955 55.035 53.050 0.051 0.000 0.863 257 N CB -0.207 38.321 38.487 0.069 0.000 0.983 257 N HN 0.471 nan 8.380 nan 0.000 0.429 258 T N 0.472 115.105 114.554 0.131 0.000 2.788 258 T HA -0.053 4.298 4.350 0.001 0.000 0.268 258 T C 2.069 176.808 174.700 0.065 0.000 1.044 258 T CA 1.070 63.251 62.100 0.135 0.000 1.139 258 T CB -0.163 68.863 68.868 0.265 0.000 0.867 258 T HN 0.049 nan 8.240 nan 0.000 0.454 259 V N -0.430 119.507 119.914 0.038 0.000 2.323 259 V HA 0.147 4.267 4.120 0.001 0.000 0.244 259 V C 0.505 176.565 176.094 -0.057 0.000 1.041 259 V CA 0.989 63.236 62.300 -0.089 0.000 1.025 259 V CB -0.356 31.373 31.823 -0.157 0.000 0.656 259 V HN 0.488 nan 8.190 nan 0.000 0.451 260 F N 0.890 120.723 119.950 -0.195 0.000 2.623 260 F HA 0.373 4.901 4.527 0.001 0.000 0.323 260 F C 0.147 175.833 175.800 -0.190 0.000 1.158 260 F CA -1.607 56.247 58.000 -0.243 0.000 1.030 260 F CB 1.357 40.165 39.000 -0.320 0.000 1.280 260 F HN 0.156 nan 8.300 nan 0.000 0.474 261 D N 4.892 124.812 120.400 -0.799 0.000 2.371 261 D HA -0.049 4.591 4.640 0.001 0.000 0.221 261 D C 1.259 177.262 176.300 -0.495 0.000 0.986 261 D CA 1.095 54.789 54.000 -0.511 0.000 0.899 261 D CB -0.058 40.509 40.800 -0.389 0.000 0.902 261 D HN 0.698 nan 8.370 nan 0.000 0.530 262 L N -2.023 118.725 121.223 -0.793 0.000 4.813 262 L HA -0.256 4.084 4.340 0.001 0.000 0.434 262 L C -0.114 176.700 176.870 -0.094 0.000 1.106 262 L CA 0.596 55.251 54.840 -0.309 0.000 0.991 262 L CB -1.322 40.733 42.059 -0.008 0.000 2.005 262 L HN 0.231 nan 8.230 nan 0.000 0.817 263 Q N 0.979 120.624 119.800 -0.259 0.000 2.332 263 Q HA 0.189 4.530 4.340 0.001 0.000 0.263 263 Q C 0.385 176.441 176.000 0.093 0.000 0.979 263 Q CA -0.006 55.748 55.803 -0.083 0.000 0.885 263 Q CB 0.552 29.206 28.738 -0.140 0.000 1.218 263 Q HN 0.140 nan 8.270 nan 0.000 0.405 264 N N 2.065 120.834 118.700 0.116 0.000 2.407 264 N HA 0.034 4.774 4.740 0.001 0.000 0.250 264 N C -0.305 175.285 175.510 0.132 0.000 1.236 264 N CA 0.485 53.622 53.050 0.144 0.000 0.879 264 N CB 0.530 39.003 38.487 -0.023 0.000 1.088 264 N HN 0.246 nan 8.380 nan 0.000 0.450 265 R N 1.540 122.158 120.500 0.197 0.000 2.750 265 R HA 0.504 4.844 4.340 0.001 0.000 0.281 265 R C -2.453 173.934 176.300 0.146 0.000 0.972 265 R CA -1.649 54.550 56.100 0.164 0.000 0.912 265 R CB 1.638 32.066 30.300 0.213 0.000 1.187 265 R HN 0.366 nan 8.270 nan 0.000 0.464 266 P HA 0.122 nan 4.420 nan 0.000 0.272 266 P C -1.269 176.082 177.300 0.084 0.000 1.223 266 P CA -0.334 62.852 63.100 0.143 0.000 0.784 266 P CB 0.644 32.463 31.700 0.199 0.000 0.923 267 N N -1.409 117.326 118.700 0.058 0.000 3.204 267 N HA 0.263 5.003 4.740 0.001 0.000 0.285 267 N C 0.531 176.049 175.510 0.012 0.000 1.536 267 N CA -0.736 52.330 53.050 0.027 0.000 0.832 267 N CB -0.596 37.897 38.487 0.009 0.000 1.645 267 N HN 0.039 nan 8.380 nan 0.000 0.586 268 T N -0.670 113.884 114.554 -0.001 0.000 2.720 268 T HA -0.109 4.241 4.350 0.001 0.000 0.268 268 T C 0.423 175.115 174.700 -0.015 0.000 1.037 268 T CA 1.647 63.742 62.100 -0.009 0.000 1.144 268 T CB -0.479 68.382 68.868 -0.012 0.000 0.864 268 T HN 0.506 nan 8.240 nan 0.000 0.444 269 D N 0.829 121.217 120.400 -0.020 0.000 2.277 269 D HA 0.159 4.799 4.640 0.001 0.000 0.208 269 D C 0.821 177.109 176.300 -0.020 0.000 0.962 269 D CA 0.443 54.427 54.000 -0.025 0.000 0.865 269 D CB 0.206 40.984 40.800 -0.037 0.000 0.939 269 D HN 0.354 nan 8.370 nan 0.000 0.510 270 A N 1.415 124.230 122.820 -0.009 0.000 3.317 270 A HA 0.313 4.634 4.320 0.001 0.000 0.307 270 A C -1.944 175.654 177.584 0.025 0.000 1.003 270 A CA -0.871 51.170 52.037 0.008 0.000 0.882 270 A CB 0.904 19.916 19.000 0.019 0.000 1.136 270 A HN -0.141 nan 8.150 nan 0.000 0.488 271 P HA -0.090 nan 4.420 nan 0.000 0.223 271 P C 0.663 177.936 177.300 -0.044 0.000 1.151 271 P CA 1.154 64.246 63.100 -0.014 0.000 0.787 271 P CB 0.370 32.039 31.700 -0.052 0.000 0.788 272 E N -0.488 119.677 120.200 -0.058 0.000 2.474 272 E HA 0.076 4.427 4.350 0.001 0.000 0.195 272 E C 0.320 177.032 176.600 0.186 0.000 1.039 272 E CA 0.005 56.340 56.400 -0.109 0.000 0.881 272 E CB 0.257 29.866 29.700 -0.152 0.000 0.970 272 E HN 0.469 nan 8.360 nan 0.000 0.486 273 E N 1.061 121.377 120.200 0.192 0.000 2.250 273 E HA 0.392 4.743 4.350 0.001 0.000 0.269 273 E C -0.314 176.442 176.600 0.261 0.000 1.018 273 E CA -0.426 56.102 56.400 0.214 0.000 0.873 273 E CB 1.313 31.109 29.700 0.161 0.000 1.134 273 E HN -0.103 nan 8.360 nan 0.000 0.403 274 R N 1.900 122.541 120.500 0.235 0.000 2.473 274 R HA 0.425 4.766 4.340 0.001 0.000 0.303 274 R C -1.558 174.901 176.300 0.264 0.000 1.002 274 R CA -0.551 55.666 56.100 0.196 0.000 0.884 274 R CB 1.008 31.365 30.300 0.096 0.000 1.173 274 R HN 0.394 nan 8.270 nan 0.000 0.464 275 F N 2.331 122.317 119.950 0.059 0.000 2.605 275 F HA 0.418 4.946 4.527 0.001 0.000 0.320 275 F C -1.648 174.115 175.800 -0.062 0.000 1.159 275 F CA -0.693 57.321 58.000 0.024 0.000 0.999 275 F CB 1.898 40.977 39.000 0.132 0.000 1.258 275 F HN 0.389 nan 8.300 nan 0.000 0.464 276 N N 5.028 123.127 118.700 -1.002 0.000 2.354 276 N HA 0.560 5.300 4.740 0.001 0.000 0.287 276 N C -1.902 172.634 175.510 -1.623 0.000 1.016 276 N CA -0.635 51.742 53.050 -1.122 0.000 0.871 276 N CB 2.270 40.258 38.487 -0.832 0.000 1.299 276 N HN 0.561 nan 8.380 nan 0.000 0.482 277 L N 2.792 123.272 121.223 -1.239 0.000 2.275 277 L HA 0.597 4.937 4.340 0.001 0.000 0.288 277 L C -1.578 174.798 176.870 -0.823 0.000 1.046 277 L CA -0.198 54.166 54.840 -0.794 0.000 0.805 277 L CB -0.001 41.940 42.059 -0.196 0.000 1.193 277 L HN 0.458 nan 8.230 nan 0.000 0.426 278 F N 6.747 126.434 119.950 -0.437 0.000 2.359 278 F HA 0.526 5.054 4.527 0.001 0.000 0.369 278 F C -2.074 173.672 175.800 -0.091 0.000 1.084 278 F CA -2.002 55.844 58.000 -0.256 0.000 1.096 278 F CB 0.735 39.560 39.000 -0.291 0.000 1.335 278 F HN 0.435 nan 8.300 nan 0.000 0.457 279 P HA 0.288 nan 4.420 nan 0.000 0.276 279 P C -0.082 177.278 177.300 0.100 0.000 1.261 279 P CA -0.266 62.880 63.100 0.077 0.000 0.800 279 P CB 0.970 32.694 31.700 0.041 0.000 1.066 280 A N -1.000 121.860 122.820 0.067 0.000 2.745 280 A HA -0.098 4.223 4.320 0.001 0.000 0.296 280 A C -0.082 177.530 177.584 0.047 0.000 1.500 280 A CA 0.730 52.797 52.037 0.050 0.000 0.766 280 A CB -2.394 16.636 19.000 0.050 0.000 1.030 280 A HN 0.256 nan 8.150 nan 0.000 0.489 281 V N -0.150 119.804 119.914 0.067 0.000 2.409 281 V HA 0.642 4.762 4.120 0.001 0.000 0.290 281 V C 0.601 176.695 176.094 0.000 0.000 1.017 281 V CA -0.335 62.003 62.300 0.064 0.000 0.841 281 V CB 1.462 33.417 31.823 0.220 0.000 1.003 281 V HN 1.496 nan 8.190 nan 0.000 0.426 282 A N 4.244 127.035 122.820 -0.048 0.000 2.396 282 A HA 0.419 4.739 4.320 0.001 0.000 0.279 282 A C 0.200 177.750 177.584 -0.058 0.000 1.165 282 A CA -0.108 51.885 52.037 -0.073 0.000 0.824 282 A CB -0.184 18.810 19.000 -0.009 0.000 1.100 282 A HN 0.866 nan 8.150 nan 0.000 0.516 283 C N 2.962 122.209 119.300 -0.089 0.000 2.394 283 C HA 0.345 4.805 4.460 0.001 0.000 0.362 283 C C 1.359 176.318 174.990 -0.053 0.000 1.268 283 C CA -0.329 58.628 59.018 -0.103 0.000 1.828 283 C CB -0.355 27.315 27.740 -0.115 0.000 2.442 283 C HN 0.992 nan 8.230 nan 0.000 0.549 284 E N 1.184 121.381 120.200 -0.004 0.000 2.330 284 E HA 0.088 4.438 4.350 0.001 0.000 0.200 284 E C 0.394 176.998 176.600 0.008 0.000 0.922 284 E CA 0.296 56.717 56.400 0.035 0.000 0.935 284 E CB 0.496 30.278 29.700 0.137 0.000 0.917 284 E HN 0.813 nan 8.360 nan 0.000 0.491 285 R N -0.260 120.249 120.500 0.016 0.000 2.739 285 R HA 0.324 4.664 4.340 0.001 0.000 0.266 285 R C -1.056 175.230 176.300 -0.024 0.000 1.044 285 R CA -0.811 55.278 56.100 -0.018 0.000 0.885 285 R CB 0.695 30.973 30.300 -0.037 0.000 1.260 285 R HN -0.077 nan 8.270 nan 0.000 0.477 286 V N -0.118 119.762 119.914 -0.056 0.000 2.481 286 V HA 0.676 4.796 4.120 0.001 0.000 0.286 286 V C -0.010 176.032 176.094 -0.087 0.000 1.042 286 V CA -0.827 61.404 62.300 -0.116 0.000 0.928 286 V CB 1.626 33.337 31.823 -0.187 0.000 0.986 286 V HN 0.514 nan 8.190 nan 0.000 0.462 287 V N 5.576 125.421 119.914 -0.114 0.000 2.383 287 V HA 0.456 4.576 4.120 0.001 0.000 0.275 287 V C 0.613 176.679 176.094 -0.047 0.000 1.036 287 V CA -0.436 61.822 62.300 -0.069 0.000 0.889 287 V CB 1.045 32.842 31.823 -0.045 0.000 0.985 287 V HN 0.937 nan 8.190 nan 0.000 0.459 288 R N 3.862 124.350 120.500 -0.020 0.000 2.410 288 R HA 0.311 4.651 4.340 0.001 0.000 0.288 288 R C 0.251 176.579 176.300 0.047 0.000 1.051 288 R CA -0.599 55.546 56.100 0.075 0.000 1.021 288 R CB 0.754 31.065 30.300 0.018 0.000 1.032 288 R HN 0.870 nan 8.270 nan 0.000 0.481 289 N N 1.623 120.366 118.700 0.072 0.000 2.399 289 N HA -0.012 4.728 4.740 0.001 0.000 0.250 289 N C 0.568 176.073 175.510 -0.008 0.000 1.272 289 N CA 0.140 53.200 53.050 0.018 0.000 0.928 289 N CB 0.578 39.071 38.487 0.010 0.000 1.158 289 N HN 0.574 nan 8.380 nan 0.000 0.463 290 A N 0.750 123.558 122.820 -0.021 0.000 1.978 290 A HA -0.079 4.241 4.320 0.001 0.000 0.220 290 A C 2.156 179.712 177.584 -0.047 0.000 1.170 290 A CA 0.960 52.978 52.037 -0.031 0.000 0.636 290 A CB -0.779 18.205 19.000 -0.027 0.000 0.810 290 A HN 0.665 nan 8.150 nan 0.000 0.448 291 L N -0.903 120.282 121.223 -0.062 0.000 2.552 291 L HA -0.015 4.326 4.340 0.001 0.000 0.227 291 L C 0.023 176.798 176.870 -0.159 0.000 1.146 291 L CA -0.002 54.783 54.840 -0.091 0.000 0.858 291 L CB -0.365 41.642 42.059 -0.088 0.000 0.969 291 L HN 0.405 nan 8.230 nan 0.000 0.451 292 N N 0.070 118.663 118.700 -0.178 0.000 2.738 292 N HA -0.177 4.563 4.740 0.001 0.000 0.249 292 N C 0.784 175.691 175.510 -1.005 0.000 1.047 292 N CA 1.038 53.878 53.050 -0.350 0.000 0.707 292 N CB -1.230 37.196 38.487 -0.102 0.000 0.937 292 N HN 0.534 nan 8.380 nan 0.000 0.545 293 S N -2.280 112.933 115.700 -0.812 0.000 2.728 293 S HA 0.263 4.734 4.470 0.001 0.000 0.257 293 S C 0.219 174.556 174.600 -0.438 0.000 1.060 293 S CA -0.271 57.525 58.200 -0.672 0.000 1.126 293 S CB 1.643 64.675 63.200 -0.280 0.000 1.099 293 S HN 0.349 nan 8.310 nan 0.000 0.617 294 E N 0.445 120.505 120.200 -0.234 0.000 2.375 294 E HA 0.430 4.781 4.350 0.001 0.000 0.280 294 E C -1.700 175.078 176.600 0.296 0.000 0.972 294 E CA -0.825 55.657 56.400 0.137 0.000 0.782 294 E CB 1.430 31.185 29.700 0.092 0.000 1.229 294 E HN 0.108 nan 8.360 nan 0.000 0.439 295 I N 3.505 124.220 120.570 0.240 0.000 2.365 295 I HA 0.126 4.296 4.170 0.001 0.000 0.291 295 I C 0.959 177.012 176.117 -0.106 0.000 1.004 295 I CA 0.062 61.326 61.300 -0.060 0.000 1.311 295 I CB 1.205 38.913 38.000 -0.486 0.000 1.401 295 I HN 0.668 nan 8.210 nan 0.000 0.491 296 E N 3.313 123.462 120.200 -0.085 0.000 2.307 296 E HA 0.073 4.423 4.350 0.001 0.000 0.195 296 E C 0.327 176.966 176.600 0.065 0.000 0.975 296 E CA 0.396 56.813 56.400 0.029 0.000 0.878 296 E CB 0.536 30.258 29.700 0.036 0.000 0.845 296 E HN 0.735 nan 8.360 nan 0.000 0.488 297 S N -0.444 115.221 115.700 -0.059 0.000 2.615 297 S HA 0.486 4.956 4.470 0.001 0.000 0.268 297 S C -1.545 173.042 174.600 -0.020 0.000 1.146 297 S CA -1.062 57.186 58.200 0.080 0.000 0.818 297 S CB 1.284 64.545 63.200 0.102 0.000 1.111 297 S HN 0.011 nan 8.310 nan 0.000 0.465 298 L N 2.005 123.309 121.223 0.134 0.000 2.319 298 L HA 0.624 4.964 4.340 0.001 0.000 0.281 298 L C -0.782 176.096 176.870 0.013 0.000 1.005 298 L CA -0.176 54.697 54.840 0.056 0.000 0.828 298 L CB 0.991 43.106 42.059 0.093 0.000 1.227 298 L HN 1.001 nan 8.230 nan 0.000 0.415 299 H N 5.318 124.346 119.070 -0.070 0.000 2.690 299 H HA 0.602 5.158 4.556 0.001 0.000 0.314 299 H C -0.405 174.869 175.328 -0.091 0.000 1.069 299 H CA 0.077 56.087 56.048 -0.063 0.000 1.436 299 H CB 0.619 30.348 29.762 -0.056 0.000 1.462 299 H HN 0.663 nan 8.280 nan 0.000 0.511 300 I N 1.574 121.881 120.570 -0.438 0.000 2.892 300 I HA 0.419 4.590 4.170 0.001 0.000 0.306 300 I C -1.198 174.799 176.117 -0.200 0.000 1.078 300 I CA -0.995 60.136 61.300 -0.281 0.000 1.032 300 I CB 2.589 40.381 38.000 -0.347 0.000 1.229 300 I HN 0.648 nan 8.210 nan 0.000 0.435 301 H N 3.302 122.277 119.070 -0.158 0.000 2.906 301 H HA 0.227 4.784 4.556 0.001 0.000 0.324 301 H C -1.499 173.821 175.328 -0.013 0.000 0.973 301 H CA -0.665 55.326 56.048 -0.095 0.000 1.321 301 H CB 1.452 31.191 29.762 -0.039 0.000 1.535 301 H HN 0.787 nan 8.280 nan 0.000 0.518 302 D N 5.367 125.747 120.400 -0.033 0.000 2.358 302 D HA -0.005 4.635 4.640 0.001 0.000 0.258 302 D C 1.015 177.164 176.300 -0.253 0.000 1.223 302 D CA -0.031 53.943 54.000 -0.043 0.000 0.886 302 D CB 1.058 41.935 40.800 0.127 0.000 1.120 302 D HN 0.677 nan 8.370 nan 0.000 0.482 303 L N 4.339 125.434 121.223 -0.213 0.000 2.418 303 L HA -0.055 4.285 4.340 0.001 0.000 0.218 303 L C 1.895 178.711 176.870 -0.090 0.000 1.125 303 L CA -0.011 54.689 54.840 -0.233 0.000 0.835 303 L CB 0.026 42.030 42.059 -0.091 0.000 0.953 303 L HN 0.499 nan 8.230 nan 0.000 0.454 304 I N -0.564 119.987 120.570 -0.032 0.000 2.270 304 I HA -0.129 4.042 4.170 0.001 0.000 0.239 304 I C 2.714 178.839 176.117 0.014 0.000 1.080 304 I CA 1.647 62.951 61.300 0.008 0.000 1.383 304 I CB -1.216 36.804 38.000 0.034 0.000 1.097 304 I HN 0.268 nan 8.210 nan 0.000 0.420 305 S N 0.382 116.098 115.700 0.027 0.000 2.446 305 S HA 0.113 4.584 4.470 0.001 0.000 0.225 305 S C 1.837 176.456 174.600 0.032 0.000 1.016 305 S CA 0.917 59.143 58.200 0.043 0.000 0.943 305 S CB 0.103 63.352 63.200 0.083 0.000 0.786 305 S HN 0.611 nan 8.310 nan 0.000 0.508 306 G N 0.931 109.740 108.800 0.016 0.000 2.195 306 G HA2 -0.188 3.773 3.960 0.001 0.000 0.246 306 G HA3 -0.188 3.773 3.960 0.001 0.000 0.246 306 G C -0.447 174.521 174.900 0.114 0.000 0.984 306 G CA 0.114 45.268 45.100 0.090 0.000 0.633 306 G HN 0.568 nan 8.290 nan 0.000 0.525 307 D N 0.699 121.098 120.400 -0.002 0.000 2.372 307 D HA 0.494 5.135 4.640 0.001 0.000 0.243 307 D C 0.965 177.091 176.300 -0.291 0.000 1.121 307 D CA 0.208 54.075 54.000 -0.222 0.000 0.898 307 D CB 0.567 41.136 40.800 -0.385 0.000 1.202 307 D HN 0.398 nan 8.370 nan 0.000 0.428 308 R N 1.292 121.502 120.500 -0.484 0.000 2.532 308 R HA 0.576 4.916 4.340 0.001 0.000 0.295 308 R C -0.664 175.139 176.300 -0.828 0.000 0.968 308 R CA -0.648 55.156 56.100 -0.492 0.000 0.916 308 R CB 1.121 31.245 30.300 -0.294 0.000 1.124 308 R HN 0.283 nan 8.270 nan 0.000 0.463 309 F N 0.015 119.803 119.950 -0.270 0.000 2.620 309 F HA 0.361 4.888 4.527 0.001 0.000 0.320 309 F C 0.222 175.875 175.800 -0.245 0.000 1.069 309 F CA -1.021 56.860 58.000 -0.198 0.000 0.953 309 F CB 1.659 40.563 39.000 -0.161 0.000 1.322 309 F HN 0.147 nan 8.300 nan 0.000 0.479 310 E N 2.378 122.648 120.200 0.118 0.000 2.145 310 E HA 0.412 4.763 4.350 0.001 0.000 0.270 310 E C -0.885 175.769 176.600 0.090 0.000 0.906 310 E CA -0.367 56.088 56.400 0.093 0.000 0.761 310 E CB 2.143 31.919 29.700 0.127 0.000 1.116 310 E HN 0.311 nan 8.360 nan 0.000 0.408 311 I N 2.261 122.865 120.570 0.056 0.000 2.412 311 I HA 0.327 4.498 4.170 0.001 0.000 0.296 311 I C 0.241 176.462 176.117 0.173 0.000 0.987 311 I CA -0.771 60.577 61.300 0.079 0.000 1.180 311 I CB 1.581 39.565 38.000 -0.027 0.000 1.340 311 I HN 0.292 nan 8.210 nan 0.000 0.455 312 K N 4.403 124.909 120.400 0.177 0.000 2.259 312 K HA 0.848 5.169 4.320 0.001 0.000 0.252 312 K C -1.312 175.365 176.600 0.129 0.000 0.936 312 K CA -0.348 56.058 56.287 0.199 0.000 0.810 312 K CB 2.218 34.802 32.500 0.140 0.000 1.143 312 K HN 0.811 nan 8.250 nan 0.000 0.427 313 A N 2.581 125.419 122.820 0.029 0.000 2.602 313 A HA 0.354 4.675 4.320 0.001 0.000 0.290 313 A C -0.677 176.815 177.584 -0.153 0.000 1.114 313 A CA -0.682 51.248 52.037 -0.177 0.000 0.683 313 A CB 1.149 19.858 19.000 -0.485 0.000 1.281 313 A HN 0.778 nan 8.150 nan 0.000 0.416 314 D N -0.574 119.770 120.400 -0.093 0.000 2.149 314 D HA 0.142 4.782 4.640 0.001 0.000 0.201 314 D C 0.338 176.571 176.300 -0.111 0.000 0.972 314 D CA 1.743 55.758 54.000 0.025 0.000 0.835 314 D CB 0.206 41.069 40.800 0.105 0.000 0.966 314 D HN 0.252 nan 8.370 nan 0.000 0.476 315 V N 0.549 120.241 119.914 -0.369 0.000 2.638 315 V HA 0.298 4.418 4.120 0.001 0.000 0.306 315 V C -1.290 174.533 176.094 -0.452 0.000 1.052 315 V CA -0.922 61.165 62.300 -0.355 0.000 0.885 315 V CB 1.855 33.356 31.823 -0.537 0.000 0.999 315 V HN -0.078 nan 8.190 nan 0.000 0.424 316 Y N 2.774 123.070 120.300 -0.007 0.000 2.341 316 Y HA 0.700 5.251 4.550 0.001 0.000 0.338 316 Y C -0.095 175.773 175.900 -0.054 0.000 0.965 316 Y CA -0.947 57.133 58.100 -0.033 0.000 1.108 316 Y CB 2.105 40.548 38.460 -0.028 0.000 1.180 316 Y HN 0.355 nan 8.280 nan 0.000 0.458 317 V N 5.491 125.367 119.914 -0.062 0.000 2.444 317 V HA 0.394 4.514 4.120 0.001 0.000 0.294 317 V C -0.446 175.511 176.094 -0.228 0.000 1.022 317 V CA -0.924 61.221 62.300 -0.258 0.000 0.850 317 V CB 1.629 33.083 31.823 -0.614 0.000 0.992 317 V HN 0.592 nan 8.190 nan 0.000 0.426 318 L N 5.185 126.272 121.223 -0.227 0.000 2.262 318 L HA 0.556 4.896 4.340 0.001 0.000 0.288 318 L C 0.387 177.148 176.870 -0.182 0.000 1.035 318 L CA -0.175 54.554 54.840 -0.185 0.000 0.820 318 L CB 1.506 43.438 42.059 -0.212 0.000 1.204 318 L HN 0.813 nan 8.230 nan 0.000 0.424 319 T N -1.626 112.860 114.554 -0.114 0.000 3.584 319 T HA 0.353 4.703 4.350 0.001 0.000 0.259 319 T C 0.641 175.348 174.700 0.012 0.000 1.009 319 T CA -0.128 61.949 62.100 -0.038 0.000 1.103 319 T CB 0.970 69.820 68.868 -0.031 0.000 1.099 319 T HN 0.537 nan 8.240 nan 0.000 0.539 320 A N 0.802 123.637 122.820 0.024 0.000 2.337 320 A HA 0.768 5.089 4.320 0.001 0.000 0.227 320 A C 1.381 179.040 177.584 0.125 0.000 1.259 320 A CA 0.083 52.154 52.037 0.058 0.000 0.870 320 A CB -0.785 18.246 19.000 0.051 0.000 0.927 320 A HN 1.695 nan 8.150 nan 0.000 0.497 321 G N -2.511 106.366 108.800 0.127 0.000 2.662 321 G HA2 0.257 4.218 3.960 0.001 0.000 0.686 321 G HA3 0.257 4.218 3.960 0.001 0.000 0.686 321 G C 0.759 175.772 174.900 0.188 0.000 1.271 321 G CA -0.311 44.880 45.100 0.152 0.000 0.816 321 G HN 1.294 nan 8.290 nan 0.000 0.608 322 A N -0.465 122.456 122.820 0.168 0.000 1.972 322 A HA 0.200 4.520 4.320 0.001 0.000 0.219 322 A C 2.614 180.289 177.584 0.153 0.000 1.169 322 A CA 3.211 55.341 52.037 0.154 0.000 0.635 322 A CB -0.298 18.761 19.000 0.097 0.000 0.810 322 A HN 1.581 nan 8.150 nan 0.000 0.446 323 V N -1.277 118.691 119.914 0.090 0.000 2.379 323 V HA -0.154 3.967 4.120 0.001 0.000 0.243 323 V C 2.206 178.278 176.094 -0.036 0.000 1.035 323 V CA 2.038 64.339 62.300 0.002 0.000 1.035 323 V CB -0.930 30.788 31.823 -0.175 0.000 0.673 323 V HN 0.719 nan 8.190 nan 0.000 0.457 324 H N -0.085 119.062 119.070 0.127 0.000 2.436 324 H HA -0.026 4.530 4.556 0.001 0.000 0.294 324 H C 2.312 177.640 175.328 -0.000 0.000 1.048 324 H CA 1.150 57.229 56.048 0.051 0.000 1.353 324 H CB 0.065 29.839 29.762 0.019 0.000 1.414 324 H HN 0.311 nan 8.280 nan 0.000 0.536 325 N N -0.130 118.642 118.700 0.120 0.000 2.061 325 N HA -0.139 4.602 4.740 0.001 0.000 0.193 325 N C 1.764 177.258 175.510 -0.027 0.000 1.030 325 N CA 1.913 54.964 53.050 0.002 0.000 0.856 325 N CB -0.582 37.882 38.487 -0.038 0.000 1.023 325 N HN 0.333 nan 8.380 nan 0.000 0.424 326 T N 0.818 115.426 114.554 0.091 0.000 2.746 326 T HA -0.162 4.188 4.350 0.001 0.000 0.267 326 T C 1.861 176.430 174.700 -0.219 0.000 1.039 326 T CA 1.095 63.244 62.100 0.083 0.000 1.142 326 T CB -0.211 68.846 68.868 0.315 0.000 0.866 326 T HN 0.356 nan 8.240 nan 0.000 0.444 327 Q N 0.366 119.919 119.800 -0.412 0.000 2.061 327 Q HA -0.082 4.258 4.340 0.001 0.000 0.204 327 Q C 2.322 178.054 176.000 -0.447 0.000 0.984 327 Q CA 1.238 56.478 55.803 -0.938 0.000 0.846 327 Q CB -0.295 28.189 28.738 -0.422 0.000 0.902 327 Q HN 0.505 nan 8.270 nan 0.000 0.421 328 L N 0.205 121.301 121.223 -0.212 0.000 2.046 328 L HA -0.192 4.149 4.340 0.001 0.000 0.208 328 L C 2.221 179.008 176.870 -0.138 0.000 1.077 328 L CA 0.953 55.709 54.840 -0.140 0.000 0.747 328 L CB -0.147 41.851 42.059 -0.102 0.000 0.896 328 L HN 0.331 nan 8.230 nan 0.000 0.432 329 L N -1.257 119.864 121.223 -0.170 0.000 1.994 329 L HA -0.236 4.104 4.340 0.001 0.000 0.208 329 L C 2.487 179.384 176.870 0.046 0.000 1.071 329 L CA 1.180 55.941 54.840 -0.132 0.000 0.745 329 L CB -0.630 41.251 42.059 -0.298 0.000 0.892 329 L HN 0.103 nan 8.230 nan 0.000 0.431 330 V N 0.029 119.906 119.914 -0.062 0.000 2.392 330 V HA -0.297 3.823 4.120 0.001 0.000 0.249 330 V C 2.058 178.125 176.094 -0.045 0.000 1.059 330 V CA 2.121 64.401 62.300 -0.033 0.000 1.051 330 V CB -0.756 31.001 31.823 -0.111 0.000 0.658 330 V HN 0.498 nan 8.190 nan 0.000 0.455 331 N N -0.088 118.546 118.700 -0.111 0.000 2.550 331 N HA -0.080 4.660 4.740 0.001 0.000 0.186 331 N C 1.458 176.945 175.510 -0.040 0.000 1.110 331 N CA 0.965 53.971 53.050 -0.074 0.000 0.912 331 N CB -0.013 38.418 38.487 -0.094 0.000 0.968 331 N HN 0.437 nan 8.380 nan 0.000 0.448 332 S N -1.537 114.165 115.700 0.004 0.000 2.540 332 S HA 0.325 4.795 4.470 0.001 0.000 0.218 332 S C 1.126 175.707 174.600 -0.033 0.000 0.977 332 S CA 0.190 58.401 58.200 0.020 0.000 0.918 332 S CB 0.633 63.896 63.200 0.105 0.000 0.806 332 S HN 0.485 nan 8.310 nan 0.000 0.496 333 G N 1.123 109.909 108.800 -0.024 0.000 2.144 333 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 333 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 333 G C -0.088 174.721 174.900 -0.152 0.000 0.988 333 G CA -0.564 44.476 45.100 -0.100 0.000 0.659 333 G HN 0.405 nan 8.290 nan 0.000 0.522 334 F N 0.782 120.696 119.950 -0.060 0.000 2.380 334 F HA 0.546 5.073 4.527 0.001 0.000 0.325 334 F C 1.688 177.491 175.800 0.005 0.000 1.136 334 F CA 1.038 59.016 58.000 -0.038 0.000 1.171 334 F CB 0.781 39.730 39.000 -0.085 0.000 1.230 334 F HN 0.754 nan 8.300 nan 0.000 0.554 335 G N 1.569 110.512 108.800 0.238 0.000 2.596 335 G HA2 -0.298 3.662 3.960 0.001 0.000 0.295 335 G HA3 -0.298 3.662 3.960 0.001 0.000 0.295 335 G C -0.688 174.284 174.900 0.121 0.000 1.240 335 G CA 0.260 45.465 45.100 0.175 0.000 0.985 335 G HN 0.853 nan 8.290 nan 0.000 0.555 336 Q N -1.123 118.753 119.800 0.127 0.000 2.305 336 Q HA 0.632 4.972 4.340 0.001 0.000 0.271 336 Q C -1.164 174.913 176.000 0.129 0.000 1.046 336 Q CA -0.994 54.863 55.803 0.090 0.000 0.798 336 Q CB 1.787 30.558 28.738 0.055 0.000 1.286 336 Q HN 0.829 nan 8.270 nan 0.000 0.435 337 L N 3.357 124.643 121.223 0.106 0.000 2.375 337 L HA 0.795 5.136 4.340 0.001 0.000 0.271 337 L C 0.346 177.292 176.870 0.126 0.000 1.107 337 L CA 1.823 56.753 54.840 0.149 0.000 0.806 337 L CB 1.164 43.287 42.059 0.106 0.000 1.146 337 L HN 0.860 nan 8.230 nan 0.000 0.447 338 G N 3.501 112.430 108.800 0.216 0.000 2.728 338 G HA2 -0.226 3.734 3.960 0.001 0.000 0.294 338 G HA3 -0.226 3.734 3.960 0.001 0.000 0.294 338 G C -0.474 174.302 174.900 -0.206 0.000 1.342 338 G CA -0.207 44.976 45.100 0.138 0.000 0.866 338 G HN 0.912 nan 8.290 nan 0.000 0.534 339 R N 0.790 120.934 120.500 -0.593 0.000 2.502 339 R HA 0.335 4.676 4.340 0.001 0.000 0.292 339 R C -1.851 173.997 176.300 -0.755 0.000 0.998 339 R CA -0.540 54.777 56.100 -1.305 0.000 1.056 339 R CB -0.070 29.766 30.300 -0.772 0.000 0.939 339 R HN 0.354 nan 8.270 nan 0.000 0.411 340 P HA -0.104 nan 4.420 nan 0.000 0.263 340 P C -1.260 175.877 177.300 -0.271 0.000 1.175 340 P CA 0.585 63.443 63.100 -0.403 0.000 0.761 340 P CB 0.338 31.825 31.700 -0.355 0.000 0.794 341 N N 3.395 121.995 118.700 -0.166 0.000 2.576 341 N HA 0.214 4.955 4.740 0.001 0.000 0.269 341 N C -1.931 173.535 175.510 -0.073 0.000 1.058 341 N CA -1.842 51.140 53.050 -0.114 0.000 0.860 341 N CB 1.263 39.692 38.487 -0.097 0.000 1.249 341 N HN 0.159 nan 8.380 nan 0.000 0.525 342 P HA 0.060 nan 4.420 nan 0.000 0.242 342 P C 0.597 177.880 177.300 -0.028 0.000 1.197 342 P CA 0.386 63.462 63.100 -0.041 0.000 0.765 342 P CB 0.338 32.013 31.700 -0.041 0.000 0.936 343 A N -0.753 122.048 122.820 -0.032 0.000 2.195 343 A HA 0.079 4.399 4.320 0.001 0.000 0.210 343 A C 1.195 178.767 177.584 -0.021 0.000 1.165 343 A CA 0.192 52.215 52.037 -0.024 0.000 0.806 343 A CB -0.494 18.491 19.000 -0.025 0.000 0.847 343 A HN 0.122 nan 8.150 nan 0.000 0.482 344 N N 1.481 120.167 118.700 -0.024 0.000 2.841 344 N HA 0.210 4.950 4.740 0.001 0.000 0.257 344 N C -3.099 172.403 175.510 -0.013 0.000 1.396 344 N CA -1.090 51.949 53.050 -0.019 0.000 0.823 344 N CB 1.436 39.908 38.487 -0.024 0.000 1.162 344 N HN 0.177 nan 8.380 nan 0.000 0.503 345 P HA 0.166 nan 4.420 nan 0.000 0.268 345 P C -2.593 174.715 177.300 0.013 0.000 1.205 345 P CA -0.718 62.386 63.100 0.007 0.000 0.771 345 P CB 0.123 31.830 31.700 0.011 0.000 0.858 346 P HA 0.151 nan 4.420 nan 0.000 0.275 346 P C 0.907 178.229 177.300 0.035 0.000 1.228 346 P CA -0.103 63.017 63.100 0.034 0.000 0.786 346 P CB 1.216 32.952 31.700 0.060 0.000 0.927 347 E N 0.879 121.092 120.200 0.022 0.000 2.077 347 E HA -0.072 4.278 4.350 0.001 0.000 0.193 347 E C 0.191 176.819 176.600 0.046 0.000 0.989 347 E CA 0.901 57.313 56.400 0.020 0.000 0.800 347 E CB 0.057 29.755 29.700 -0.004 0.000 0.746 347 E HN 0.430 nan 8.360 nan 0.000 0.452 348 L N 0.700 121.960 121.223 0.061 0.000 2.346 348 L HA 0.288 4.628 4.340 0.001 0.000 0.274 348 L C 0.089 177.082 176.870 0.206 0.000 1.007 348 L CA -0.822 54.098 54.840 0.133 0.000 0.818 348 L CB 1.770 43.869 42.059 0.067 0.000 1.284 348 L HN 0.097 nan 8.230 nan 0.000 0.424 349 L N 2.847 124.222 121.223 0.252 0.000 3.895 349 L HA -0.191 4.150 4.340 0.001 0.000 0.511 349 L C -1.432 175.552 176.870 0.190 0.000 1.222 349 L CA -0.503 54.483 54.840 0.244 0.000 0.739 349 L CB -0.935 41.294 42.059 0.284 0.000 1.425 349 L HN 0.604 nan 8.230 nan 0.000 0.817 350 P HA -0.109 nan 4.420 nan 0.000 0.225 350 P C 1.252 178.648 177.300 0.161 0.000 1.148 350 P CA 0.991 64.169 63.100 0.130 0.000 0.779 350 P CB 0.338 32.096 31.700 0.097 0.000 0.780 351 S N -0.521 115.295 115.700 0.193 0.000 2.593 351 S HA 0.054 4.524 4.470 0.001 0.000 0.217 351 S C 0.863 175.621 174.600 0.263 0.000 0.966 351 S CA -0.377 57.983 58.200 0.267 0.000 0.914 351 S CB -0.724 62.630 63.200 0.257 0.000 0.776 351 S HN 0.082 nan 8.310 nan 0.000 0.523 352 L N 2.175 123.531 121.223 0.220 0.000 2.513 352 L HA 0.437 4.778 4.340 0.001 0.000 0.272 352 L C 1.123 178.129 176.870 0.227 0.000 1.187 352 L CA 1.132 56.103 54.840 0.218 0.000 0.895 352 L CB -0.255 41.919 42.059 0.192 0.000 1.147 352 L HN 0.312 nan 8.230 nan 0.000 0.483 353 G N 2.376 111.317 108.800 0.236 0.000 2.159 353 G HA2 -0.263 3.697 3.960 0.001 0.000 0.256 353 G HA3 -0.263 3.697 3.960 0.001 0.000 0.256 353 G C 0.416 175.433 174.900 0.194 0.000 0.977 353 G CA 0.321 45.556 45.100 0.226 0.000 0.652 353 G HN 0.841 nan 8.290 nan 0.000 0.531 354 S N -1.557 114.266 115.700 0.205 0.000 2.704 354 S HA 0.647 5.117 4.470 0.001 0.000 0.305 354 S C 0.417 175.156 174.600 0.233 0.000 1.107 354 S CA 0.086 58.347 58.200 0.101 0.000 0.993 354 S CB 0.813 63.993 63.200 -0.033 0.000 1.110 354 S HN 0.944 nan 8.310 nan 0.000 0.534 355 Y N -0.899 119.469 120.300 0.113 0.000 4.177 355 Y HA -0.206 4.344 4.550 0.001 0.000 0.227 355 Y C 0.527 176.511 175.900 0.140 0.000 1.154 355 Y CA 0.204 58.371 58.100 0.110 0.000 1.887 355 Y CB -2.220 36.300 38.460 0.100 0.000 1.594 355 Y HN 0.595 nan 8.280 nan 0.000 0.668 356 I N 0.094 120.813 120.570 0.248 0.000 2.692 356 I HA 0.430 4.600 4.170 0.001 0.000 0.284 356 I C 0.671 176.967 176.117 0.299 0.000 1.159 356 I CA 0.434 61.891 61.300 0.260 0.000 1.423 356 I CB 1.210 39.366 38.000 0.261 0.000 1.380 356 I HN 0.216 nan 8.210 nan 0.000 0.580 357 T N 2.036 116.729 114.554 0.233 0.000 2.863 357 T HA 0.677 5.027 4.350 0.001 0.000 0.285 357 T C -0.636 174.109 174.700 0.074 0.000 1.009 357 T CA -0.704 61.520 62.100 0.205 0.000 0.989 357 T CB 2.119 71.050 68.868 0.105 0.000 1.004 357 T HN 0.805 nan 8.240 nan 0.000 0.455 358 E N 1.175 121.403 120.200 0.047 0.000 2.308 358 E HA 0.322 4.673 4.350 0.001 0.000 0.275 358 E C -1.001 175.734 176.600 0.226 0.000 0.890 358 E CA -0.540 55.846 56.400 -0.024 0.000 0.754 358 E CB 1.940 31.405 29.700 -0.392 0.000 1.207 358 E HN 0.706 nan 8.360 nan 0.000 0.426 359 Q N 1.204 121.138 119.800 0.223 0.000 2.373 359 Q HA 0.367 4.708 4.340 0.001 0.000 0.255 359 Q C -0.341 175.881 176.000 0.371 0.000 0.980 359 Q CA -0.109 55.878 55.803 0.307 0.000 0.882 359 Q CB 0.990 29.945 28.738 0.362 0.000 1.249 359 Q HN 0.444 nan 8.270 nan 0.000 0.438 360 S N 1.403 117.241 115.700 0.230 0.000 2.564 360 S HA 0.335 4.806 4.470 0.001 0.000 0.278 360 S C -0.691 173.973 174.600 0.108 0.000 1.333 360 S CA -0.508 57.691 58.200 -0.001 0.000 1.048 360 S CB 0.391 63.486 63.200 -0.174 0.000 0.900 360 S HN 0.364 nan 8.310 nan 0.000 0.505 361 L N 4.875 126.137 121.223 0.064 0.000 2.385 361 L HA 0.748 5.088 4.340 0.001 0.000 0.273 361 L C -0.759 175.991 176.870 -0.200 0.000 0.990 361 L CA -0.668 54.110 54.840 -0.104 0.000 0.821 361 L CB 1.651 43.626 42.059 -0.141 0.000 1.279 361 L HN 0.465 nan 8.230 nan 0.000 0.412 362 V N 2.005 121.710 119.914 -0.348 0.000 2.815 362 V HA 0.764 4.885 4.120 0.001 0.000 0.314 362 V C -1.022 174.933 176.094 -0.233 0.000 1.064 362 V CA -0.695 61.319 62.300 -0.477 0.000 0.952 362 V CB 1.700 33.036 31.823 -0.811 0.000 1.020 362 V HN 0.838 nan 8.190 nan 0.000 0.439 363 F N 4.116 123.847 119.950 -0.365 0.000 2.608 363 F HA 0.855 5.382 4.527 0.001 0.000 0.309 363 F C -0.443 175.213 175.800 -0.240 0.000 1.103 363 F CA -0.171 57.691 58.000 -0.230 0.000 0.954 363 F CB 1.442 40.350 39.000 -0.153 0.000 1.267 363 F HN 1.217 nan 8.300 nan 0.000 0.444 364 C N 2.786 121.402 119.300 -1.140 0.000 3.332 364 C HA 0.816 5.277 4.460 0.001 0.000 0.329 364 C C -1.619 172.732 174.990 -1.064 0.000 1.434 364 C CA -0.650 57.683 59.018 -1.142 0.000 1.314 364 C CB 1.703 29.041 27.740 -0.671 0.000 1.664 364 C HN 0.984 nan 8.230 nan 0.000 0.457 365 Q N 0.449 119.904 119.800 -0.576 0.000 2.399 365 Q HA 0.788 5.128 4.340 0.001 0.000 0.276 365 Q C -0.488 175.524 176.000 0.021 0.000 1.098 365 Q CA -0.271 55.423 55.803 -0.182 0.000 0.827 365 Q CB 2.682 31.311 28.738 -0.183 0.000 1.386 365 Q HN 0.945 nan 8.270 nan 0.000 0.443 366 T N -2.731 111.914 114.554 0.152 0.000 2.916 366 T HA 0.715 5.066 4.350 0.001 0.000 0.292 366 T C -0.678 174.073 174.700 0.085 0.000 1.064 366 T CA -0.724 61.435 62.100 0.098 0.000 1.011 366 T CB 1.247 70.176 68.868 0.101 0.000 1.152 366 T HN 0.262 nan 8.240 nan 0.000 0.510 367 V N 2.256 122.189 119.914 0.031 0.000 2.409 367 V HA 0.418 4.539 4.120 0.001 0.000 0.291 367 V C 0.178 176.279 176.094 0.011 0.000 1.020 367 V CA -0.899 61.414 62.300 0.021 0.000 0.848 367 V CB 1.264 33.090 31.823 0.005 0.000 0.990 367 V HN 1.024 nan 8.190 nan 0.000 0.430 368 M N 4.852 124.468 119.600 0.025 0.000 2.248 368 M HA 0.083 4.563 4.480 0.001 0.000 0.343 368 M C 0.901 177.203 176.300 0.004 0.000 1.243 368 M CA 0.710 56.026 55.300 0.026 0.000 1.025 368 M CB 0.578 33.192 32.600 0.024 0.000 1.759 368 M HN 0.933 nan 8.290 nan 0.000 0.452 369 S N 2.650 118.348 115.700 -0.002 0.000 2.563 369 S HA 0.033 4.503 4.470 0.001 0.000 0.284 369 S C 1.042 175.640 174.600 -0.004 0.000 1.331 369 S CA -0.033 58.157 58.200 -0.016 0.000 1.047 369 S CB 0.441 63.626 63.200 -0.026 0.000 0.859 369 S HN 0.810 nan 8.310 nan 0.000 0.514 370 T N 1.957 116.506 114.554 -0.009 0.000 2.699 370 T HA -0.153 4.198 4.350 0.001 0.000 0.268 370 T C 1.664 176.368 174.700 0.007 0.000 1.036 370 T CA 1.928 64.028 62.100 -0.001 0.000 1.147 370 T CB -0.492 68.373 68.868 -0.005 0.000 0.862 370 T HN 0.762 nan 8.240 nan 0.000 0.446 371 E N 0.506 120.707 120.200 0.001 0.000 2.058 371 E HA -0.089 4.262 4.350 0.001 0.000 0.194 371 E C 2.294 178.910 176.600 0.025 0.000 0.997 371 E CA 0.956 57.360 56.400 0.007 0.000 0.801 371 E CB -0.281 29.416 29.700 -0.005 0.000 0.746 371 E HN 0.439 nan 8.360 nan 0.000 0.450 372 L N 0.743 121.983 121.223 0.028 0.000 2.046 372 L HA -0.201 4.140 4.340 0.001 0.000 0.208 372 L C 2.439 179.348 176.870 0.065 0.000 1.077 372 L CA 0.509 55.381 54.840 0.053 0.000 0.747 372 L CB -0.287 41.803 42.059 0.052 0.000 0.896 372 L HN 0.193 nan 8.230 nan 0.000 0.432 373 I N -0.056 120.538 120.570 0.041 0.000 2.179 373 I HA -0.282 3.889 4.170 0.001 0.000 0.242 373 I C 2.182 178.328 176.117 0.049 0.000 1.088 373 I CA 1.506 62.827 61.300 0.034 0.000 1.357 373 I CB -1.181 36.829 38.000 0.017 0.000 1.051 373 I HN 0.274 nan 8.210 nan 0.000 0.409 374 D N 0.832 121.259 120.400 0.046 0.000 2.182 374 D HA -0.151 4.490 4.640 0.001 0.000 0.201 374 D C 2.349 178.697 176.300 0.081 0.000 0.986 374 D CA 1.691 55.723 54.000 0.053 0.000 0.847 374 D CB -0.143 40.680 40.800 0.038 0.000 0.942 374 D HN 0.399 nan 8.370 nan 0.000 0.467 375 S N -0.130 115.629 115.700 0.098 0.000 2.442 375 S HA -0.110 4.361 4.470 0.001 0.000 0.236 375 S C 2.122 176.883 174.600 0.269 0.000 1.007 375 S CA 0.693 58.988 58.200 0.158 0.000 0.965 375 S CB -0.493 62.793 63.200 0.144 0.000 0.773 375 S HN 0.103 nan 8.310 nan 0.000 0.504 376 V N 2.768 122.807 119.914 0.208 0.000 2.594 376 V HA -0.107 4.014 4.120 0.001 0.000 0.253 376 V C 2.160 178.382 176.094 0.214 0.000 1.069 376 V CA 1.954 64.397 62.300 0.238 0.000 1.082 376 V CB -0.834 31.037 31.823 0.080 0.000 0.680 376 V HN 0.820 nan 8.190 nan 0.000 0.469 377 K N 0.253 120.741 120.400 0.147 0.000 2.514 377 K HA 0.178 4.498 4.320 0.001 0.000 0.207 377 K C 1.585 178.248 176.600 0.105 0.000 1.035 377 K CA 0.658 57.014 56.287 0.115 0.000 1.113 377 K CB 0.218 32.768 32.500 0.083 0.000 0.846 377 K HN 0.381 nan 8.250 nan 0.000 0.491 378 S N 0.849 116.630 115.700 0.135 0.000 2.419 378 S HA -0.172 4.298 4.470 0.001 0.000 0.235 378 S C 0.939 175.561 174.600 0.036 0.000 1.019 378 S CA 1.337 59.580 58.200 0.071 0.000 0.982 378 S CB -0.271 62.952 63.200 0.037 0.000 0.789 378 S HN 0.331 nan 8.310 nan 0.000 0.490 379 D N 0.720 121.153 120.400 0.054 0.000 2.339 379 D HA 0.236 4.876 4.640 0.001 0.000 0.217 379 D C 0.191 176.536 176.300 0.076 0.000 1.050 379 D CA 0.258 54.278 54.000 0.033 0.000 0.856 379 D CB -0.002 40.798 40.800 0.001 0.000 0.922 379 D HN 0.385 nan 8.370 nan 0.000 0.518 380 M N 0.338 119.980 119.600 0.069 0.000 2.274 380 M HA 0.248 4.729 4.480 0.001 0.000 0.344 380 M C 0.276 176.608 176.300 0.052 0.000 1.161 380 M CA 0.048 55.396 55.300 0.079 0.000 1.126 380 M CB 1.224 33.862 32.600 0.063 0.000 1.522 380 M HN -0.342 nan 8.290 nan 0.000 0.461 381 T N 3.795 118.373 114.554 0.041 0.000 2.770 381 T HA 0.686 5.037 4.350 0.001 0.000 0.283 381 T C -0.234 174.449 174.700 -0.029 0.000 0.988 381 T CA -0.348 61.757 62.100 0.008 0.000 0.957 381 T CB 0.641 69.510 68.868 0.002 0.000 0.930 381 T HN 0.406 nan 8.240 nan 0.000 0.443 382 I N 3.505 124.055 120.570 -0.033 0.000 2.389 382 I HA 0.451 4.622 4.170 0.001 0.000 0.288 382 I C 0.320 176.399 176.117 -0.063 0.000 0.999 382 I CA -0.549 60.702 61.300 -0.081 0.000 1.129 382 I CB 1.382 39.373 38.000 -0.014 0.000 1.288 382 I HN 0.255 nan 8.210 nan 0.000 0.444 383 R N 4.395 124.819 120.500 -0.127 0.000 2.480 383 R HA 0.746 5.086 4.340 0.001 0.000 0.306 383 R C 0.149 176.449 176.300 -0.000 0.000 0.958 383 R CA -0.343 55.724 56.100 -0.054 0.000 0.861 383 R CB 1.918 32.182 30.300 -0.061 0.000 1.171 383 R HN 0.915 nan 8.270 nan 0.000 0.445 384 G N 1.388 110.239 108.800 0.085 0.000 2.482 384 G HA2 -0.227 3.733 3.960 0.001 0.000 0.214 384 G HA3 -0.227 3.733 3.960 0.001 0.000 0.214 384 G C -1.032 174.011 174.900 0.239 0.000 1.271 384 G CA -0.655 44.537 45.100 0.154 0.000 0.944 384 G HN 0.510 nan 8.290 nan 0.000 0.568 385 T N 2.015 116.709 114.554 0.233 0.000 2.879 385 T HA 0.642 4.992 4.350 0.001 0.000 0.290 385 T C -2.954 171.671 174.700 -0.126 0.000 0.993 385 T CA -0.894 61.256 62.100 0.084 0.000 0.975 385 T CB 2.391 71.274 68.868 0.026 0.000 0.981 385 T HN 0.513 nan 8.240 nan 0.000 0.439 386 P HA 0.197 nan 4.420 nan 0.000 0.261 386 P C 1.202 178.279 177.300 -0.371 0.000 1.173 386 P CA 1.311 63.890 63.100 -0.869 0.000 0.760 386 P CB 0.170 31.506 31.700 -0.607 0.000 0.783 387 G N 1.946 110.571 108.800 -0.291 0.000 2.258 387 G HA2 -0.224 3.736 3.960 0.001 0.000 0.233 387 G HA3 -0.224 3.736 3.960 0.001 0.000 0.233 387 G C 0.293 175.160 174.900 -0.056 0.000 1.006 387 G CA -0.192 44.832 45.100 -0.126 0.000 0.620 387 G HN 0.531 nan 8.290 nan 0.000 0.511 388 E N -0.048 120.129 120.200 -0.038 0.000 2.620 388 E HA 0.477 4.827 4.350 0.001 0.000 0.255 388 E C 1.552 178.181 176.600 0.049 0.000 1.346 388 E CA -0.324 56.085 56.400 0.014 0.000 1.013 388 E CB 0.249 29.968 29.700 0.033 0.000 1.131 388 E HN 0.101 nan 8.360 nan 0.000 0.608 389 L N -0.281 120.971 121.223 0.048 0.000 2.249 389 L HA -0.006 4.334 4.340 0.001 0.000 0.207 389 L C 2.011 178.921 176.870 0.066 0.000 1.090 389 L CA 1.175 56.044 54.840 0.048 0.000 0.802 389 L CB -1.975 40.101 42.059 0.029 0.000 0.947 389 L HN 0.572 nan 8.230 nan 0.000 0.453 390 T N -3.988 110.610 114.554 0.074 0.000 3.244 390 T HA 0.059 4.410 4.350 0.001 0.000 0.254 390 T C 0.289 175.052 174.700 0.105 0.000 1.024 390 T CA -0.412 61.728 62.100 0.067 0.000 0.920 390 T CB -0.825 68.070 68.868 0.045 0.000 1.042 390 T HN 0.074 nan 8.240 nan 0.000 0.572 391 Y N 2.308 122.608 120.300 0.001 0.000 2.442 391 Y HA 0.484 5.035 4.550 0.001 0.000 0.330 391 Y C 0.077 175.979 175.900 0.004 0.000 1.129 391 Y CA -0.739 57.363 58.100 0.002 0.000 1.365 391 Y CB 0.655 39.114 38.460 -0.001 0.000 1.233 391 Y HN 0.239 nan 8.280 nan 0.000 0.529 392 S N 5.302 120.701 115.700 -0.502 0.000 2.614 392 S HA 0.714 5.184 4.470 0.001 0.000 0.288 392 S C -1.963 172.355 174.600 -0.470 0.000 1.137 392 S CA -0.673 57.304 58.200 -0.372 0.000 0.992 392 S CB 0.696 63.797 63.200 -0.165 0.000 1.026 392 S HN 0.473 nan 8.310 nan 0.000 0.486 393 V N 4.639 124.356 119.914 -0.329 0.000 2.444 393 V HA 0.765 4.885 4.120 0.001 0.000 0.294 393 V C 0.042 176.113 176.094 -0.039 0.000 1.022 393 V CA -0.475 61.712 62.300 -0.188 0.000 0.850 393 V CB 1.389 33.133 31.823 -0.131 0.000 0.992 393 V HN 1.014 nan 8.190 nan 0.000 0.426 394 T N 1.743 116.304 114.554 0.011 0.000 2.883 394 T HA 0.850 5.200 4.350 0.001 0.000 0.301 394 T C -1.122 173.679 174.700 0.168 0.000 1.158 394 T CA -0.747 61.389 62.100 0.060 0.000 1.007 394 T CB 2.285 71.135 68.868 -0.032 0.000 1.186 394 T HN 0.840 nan 8.240 nan 0.000 0.499 395 Y N -1.602 118.691 120.300 -0.012 0.000 2.615 395 Y HA 0.773 5.324 4.550 0.001 0.000 0.341 395 Y C -0.784 175.111 175.900 -0.009 0.000 1.089 395 Y CA -1.385 56.710 58.100 -0.008 0.000 1.049 395 Y CB 0.781 39.244 38.460 0.005 0.000 1.296 395 Y HN 0.672 nan 8.280 nan 0.000 0.470 396 T N 4.159 118.684 114.554 -0.048 0.000 2.762 396 T HA 0.389 4.739 4.350 0.001 0.000 0.303 396 T C -2.750 171.920 174.700 -0.050 0.000 0.977 396 T CA -1.292 60.730 62.100 -0.129 0.000 0.961 396 T CB 0.526 69.368 68.868 -0.044 0.000 0.944 396 T HN 0.371 nan 8.240 nan 0.000 0.481 397 P HA 0.218 nan 4.420 nan 0.000 0.266 397 P C 1.211 178.542 177.300 0.052 0.000 1.195 397 P CA 0.623 63.752 63.100 0.049 0.000 0.768 397 P CB 0.324 32.009 31.700 -0.025 0.000 0.838 398 G N 1.456 110.306 108.800 0.083 0.000 2.196 398 G HA2 -0.278 3.683 3.960 0.001 0.000 0.268 398 G HA3 -0.278 3.683 3.960 0.001 0.000 0.268 398 G C 0.545 175.456 174.900 0.018 0.000 0.975 398 G CA 0.193 45.318 45.100 0.041 0.000 0.648 398 G HN 0.883 nan 8.290 nan 0.000 0.538 399 A N 0.442 123.274 122.820 0.020 0.000 2.531 399 A HA 0.576 4.896 4.320 0.001 0.000 0.236 399 A C 1.828 179.404 177.584 -0.014 0.000 1.062 399 A CA 1.398 53.436 52.037 0.001 0.000 0.760 399 A CB 0.240 19.243 19.000 0.004 0.000 0.995 399 A HN 1.766 nan 8.150 nan 0.000 0.501 400 S N 0.900 116.587 115.700 -0.021 0.000 2.428 400 S HA -0.141 4.329 4.470 0.001 0.000 0.230 400 S C 1.477 176.048 174.600 -0.048 0.000 1.014 400 S CA 1.554 59.734 58.200 -0.032 0.000 0.957 400 S CB -0.872 62.312 63.200 -0.026 0.000 0.784 400 S HN 1.163 nan 8.310 nan 0.000 0.499 401 T N -0.494 114.033 114.554 -0.044 0.000 3.085 401 T HA 0.141 4.491 4.350 0.001 0.000 0.263 401 T C 0.500 175.151 174.700 -0.081 0.000 1.127 401 T CA -0.138 61.928 62.100 -0.056 0.000 1.103 401 T CB -0.714 68.130 68.868 -0.040 0.000 0.921 401 T HN 0.249 nan 8.240 nan 0.000 0.510 402 N N 2.138 120.792 118.700 -0.078 0.000 2.454 402 N HA 0.212 4.953 4.740 0.001 0.000 0.260 402 N C 0.661 176.040 175.510 -0.218 0.000 1.218 402 N CA 0.051 53.030 53.050 -0.118 0.000 0.904 402 N CB 1.038 39.480 38.487 -0.076 0.000 1.065 402 N HN 0.293 nan 8.380 nan 0.000 0.462 403 K N 0.918 121.106 120.400 -0.353 0.000 2.400 403 K HA 0.104 4.424 4.320 0.001 0.000 0.194 403 K C -0.161 175.907 176.600 -0.887 0.000 1.033 403 K CA 0.611 56.554 56.287 -0.574 0.000 1.021 403 K CB 0.199 32.312 32.500 -0.644 0.000 0.808 403 K HN 0.547 nan 8.250 nan 0.000 0.505 404 H N -0.484 118.287 119.070 -0.498 0.000 2.731 404 H HA 0.303 4.859 4.556 0.001 0.000 0.368 404 H C -2.472 172.535 175.328 -0.536 0.000 1.168 404 H CA -2.682 52.898 56.048 -0.779 0.000 1.181 404 H CB 1.239 30.141 29.762 -1.432 0.000 1.743 404 H HN -0.125 nan 8.280 nan 0.000 0.547 405 P HA 0.003 nan 4.420 nan 0.000 0.272 405 P C 0.286 177.398 177.300 -0.312 0.000 1.230 405 P CA -0.219 62.686 63.100 -0.324 0.000 0.788 405 P CB 1.310 32.779 31.700 -0.386 0.000 0.949 406 D N 0.614 120.962 120.400 -0.087 0.000 2.149 406 D HA -0.173 4.468 4.640 0.001 0.000 0.194 406 D C 1.872 178.205 176.300 0.056 0.000 1.001 406 D CA 1.471 55.506 54.000 0.058 0.000 0.849 406 D CB -0.512 40.398 40.800 0.183 0.000 0.939 406 D HN 0.620 nan 8.370 nan 0.000 0.449 407 W N -0.039 121.338 121.300 0.127 0.000 2.402 407 W HA -0.113 4.547 4.660 0.001 0.000 0.286 407 W C 1.924 178.520 176.519 0.127 0.000 1.221 407 W CA 0.144 57.558 57.345 0.115 0.000 1.257 407 W CB -1.316 28.204 29.460 0.101 0.000 1.120 407 W HN 0.083 nan 8.180 nan 0.000 0.551 408 W N 3.457 124.329 121.300 -0.715 0.000 2.409 408 W HA -0.112 4.549 4.660 0.001 0.000 0.299 408 W C 1.703 177.969 176.519 -0.421 0.000 1.203 408 W CA 1.423 58.333 57.345 -0.725 0.000 1.298 408 W CB -0.996 27.768 29.460 -1.159 0.000 1.127 408 W HN -0.136 nan 8.180 nan 0.000 0.528 409 N N 1.032 119.660 118.700 -0.119 0.000 2.270 409 N HA -0.168 4.572 4.740 0.001 0.000 0.181 409 N C 1.498 176.698 175.510 -0.517 0.000 1.016 409 N CA 1.689 54.474 53.050 -0.441 0.000 0.870 409 N CB -0.465 37.406 38.487 -1.027 0.000 0.979 409 N HN 0.227 nan 8.380 nan 0.000 0.431 410 E N 1.482 121.544 120.200 -0.230 0.000 2.072 410 E HA -0.049 4.302 4.350 0.001 0.000 0.191 410 E C 1.629 178.273 176.600 0.073 0.000 0.985 410 E CA 1.308 57.750 56.400 0.070 0.000 0.801 410 E CB 0.059 29.882 29.700 0.206 0.000 0.750 410 E HN 0.198 nan 8.360 nan 0.000 0.452 411 K N -0.513 119.923 120.400 0.059 0.000 2.057 411 K HA -0.090 4.230 4.320 0.001 0.000 0.207 411 K C 2.082 178.684 176.600 0.003 0.000 1.049 411 K CA 1.385 57.698 56.287 0.043 0.000 0.931 411 K CB -0.086 32.435 32.500 0.035 0.000 0.714 411 K HN 0.027 nan 8.250 nan 0.000 0.440 412 V N 1.807 121.690 119.914 -0.052 0.000 2.323 412 V HA -0.231 3.890 4.120 0.001 0.000 0.244 412 V C 2.364 178.489 176.094 0.052 0.000 1.041 412 V CA 1.543 63.825 62.300 -0.030 0.000 1.025 412 V CB -0.405 31.390 31.823 -0.046 0.000 0.656 412 V HN 0.328 nan 8.190 nan 0.000 0.451 413 K N 0.418 120.841 120.400 0.039 0.000 2.032 413 K HA -0.255 4.066 4.320 0.001 0.000 0.209 413 K C 1.992 178.654 176.600 0.104 0.000 1.048 413 K CA 2.074 58.418 56.287 0.095 0.000 0.927 413 K CB -0.302 32.312 32.500 0.190 0.000 0.712 413 K HN 0.424 nan 8.250 nan 0.000 0.441 414 N N 0.385 119.152 118.700 0.113 0.000 2.120 414 N HA -0.180 4.560 4.740 0.001 0.000 0.188 414 N C 1.795 177.384 175.510 0.133 0.000 1.024 414 N CA 1.402 54.520 53.050 0.113 0.000 0.852 414 N CB -0.635 37.922 38.487 0.116 0.000 1.003 414 N HN 0.463 nan 8.380 nan 0.000 0.424 415 H N 0.490 119.593 119.070 0.055 0.000 2.353 415 H HA 0.115 4.671 4.556 0.001 0.000 0.300 415 H C 2.065 177.449 175.328 0.094 0.000 1.090 415 H CA 1.632 57.721 56.048 0.068 0.000 1.327 415 H CB -0.071 29.625 29.762 -0.110 0.000 1.383 415 H HN 0.089 nan 8.280 nan 0.000 0.508 416 M N -1.009 118.592 119.600 0.002 0.000 2.229 416 M HA -0.104 4.376 4.480 0.001 0.000 0.264 416 M C 2.124 178.479 176.300 0.092 0.000 1.063 416 M CA 1.431 56.739 55.300 0.013 0.000 1.114 416 M CB -0.023 32.648 32.600 0.120 0.000 1.387 416 M HN 0.389 nan 8.290 nan 0.000 0.420 417 M N 0.275 119.919 119.600 0.074 0.000 2.193 417 M HA -0.100 4.380 4.480 0.001 0.000 0.265 417 M C 1.789 178.096 176.300 0.013 0.000 1.071 417 M CA 1.909 57.261 55.300 0.088 0.000 1.140 417 M CB -0.089 32.541 32.600 0.050 0.000 1.369 417 M HN 0.112 nan 8.290 nan 0.000 0.423 418 Q N -1.075 118.680 119.800 -0.074 0.000 2.389 418 Q HA 0.019 4.359 4.340 0.001 0.000 0.204 418 Q C -0.171 175.525 176.000 -0.507 0.000 0.944 418 Q CA 0.660 56.307 55.803 -0.259 0.000 0.908 418 Q CB 0.273 28.840 28.738 -0.286 0.000 1.002 418 Q HN 0.524 nan 8.270 nan 0.000 0.493 419 H N 0.072 119.070 119.070 -0.120 0.000 2.380 419 H HA 0.192 4.749 4.556 0.001 0.000 0.231 419 H C -0.038 175.200 175.328 -0.150 0.000 1.415 419 H CA -0.083 55.889 56.048 -0.126 0.000 1.433 419 H CB 0.594 30.241 29.762 -0.191 0.000 1.544 419 H HN 0.249 nan 8.280 nan 0.000 0.503 420 Q N 0.694 120.472 119.800 -0.037 0.000 2.435 420 Q HA -0.096 4.244 4.340 0.001 0.000 0.207 420 Q C 1.770 177.703 176.000 -0.111 0.000 0.956 420 Q CA 0.686 56.416 55.803 -0.121 0.000 0.917 420 Q CB 0.459 29.070 28.738 -0.211 0.000 0.997 420 Q HN 0.514 nan 8.270 nan 0.000 0.497 421 E N 1.147 121.333 120.200 -0.024 0.000 2.435 421 E HA -0.100 4.250 4.350 0.001 0.000 0.195 421 E C -0.342 176.283 176.600 0.041 0.000 1.029 421 E CA 0.500 56.901 56.400 0.003 0.000 0.865 421 E CB -0.035 29.686 29.700 0.035 0.000 0.833 421 E HN 0.169 nan 8.360 nan 0.000 0.510 422 D N 2.086 122.524 120.400 0.064 0.000 2.249 422 D HA 0.123 4.764 4.640 0.001 0.000 0.246 422 D C -1.541 174.796 176.300 0.062 0.000 1.114 422 D CA -2.068 51.997 54.000 0.109 0.000 0.854 422 D CB 1.569 42.473 40.800 0.174 0.000 1.132 422 D HN -0.169 nan 8.370 nan 0.000 0.461 423 P HA 0.081 nan 4.420 nan 0.000 0.249 423 P C -0.232 177.103 177.300 0.058 0.000 1.229 423 P CA 0.236 63.365 63.100 0.049 0.000 0.788 423 P CB 0.365 32.089 31.700 0.040 0.000 1.072 424 L N 1.633 122.904 121.223 0.080 0.000 2.334 424 L HA 0.382 4.722 4.340 0.001 0.000 0.273 424 L C -1.464 175.451 176.870 0.075 0.000 1.013 424 L CA -2.274 52.594 54.840 0.048 0.000 0.816 424 L CB 2.423 44.483 42.059 0.000 0.000 1.278 424 L HN -0.307 nan 8.230 nan 0.000 0.431 425 P HA 0.110 nan 4.420 nan 0.000 0.255 425 P C 0.177 177.377 177.300 -0.167 0.000 1.248 425 P CA 0.451 63.566 63.100 0.024 0.000 0.807 425 P CB 0.406 32.116 31.700 0.017 0.000 1.150 426 I N 2.197 122.569 120.570 -0.330 0.000 2.371 426 I HA 0.238 4.408 4.170 0.001 0.000 0.290 426 I C -2.156 173.452 176.117 -0.847 0.000 1.028 426 I CA -2.777 58.247 61.300 -0.459 0.000 1.345 426 I CB 0.901 38.719 38.000 -0.304 0.000 1.407 426 I HN -0.237 nan 8.210 nan 0.000 0.501 427 P HA 0.007 nan 4.420 nan 0.000 0.267 427 P C 0.265 177.273 177.300 -0.486 0.000 1.200 427 P CA 0.001 62.664 63.100 -0.729 0.000 0.772 427 P CB 0.368 31.905 31.700 -0.272 0.000 0.855 428 F N 0.618 120.406 119.950 -0.270 0.000 2.216 428 F HA -0.101 4.426 4.527 0.001 0.000 0.300 428 F C 1.826 177.568 175.800 -0.096 0.000 1.085 428 F CA 1.523 59.426 58.000 -0.162 0.000 1.326 428 F CB -0.656 38.269 39.000 -0.125 0.000 1.027 428 F HN 0.377 nan 8.300 nan 0.000 0.497 429 E N -0.160 120.103 120.200 0.104 0.000 2.444 429 E HA -0.016 4.335 4.350 0.001 0.000 0.191 429 E C -0.198 176.414 176.600 0.019 0.000 1.041 429 E CA -0.112 56.328 56.400 0.068 0.000 0.883 429 E CB -0.256 29.488 29.700 0.074 0.000 1.024 429 E HN 0.256 nan 8.360 nan 0.000 0.470 430 D N 2.676 123.061 120.400 -0.025 0.000 2.450 430 D HA 0.018 4.658 4.640 0.001 0.000 0.247 430 D C -2.312 173.998 176.300 0.015 0.000 1.162 430 D CA -1.330 52.646 54.000 -0.040 0.000 0.879 430 D CB 0.813 41.547 40.800 -0.110 0.000 1.163 430 D HN -0.140 nan 8.370 nan 0.000 0.472 431 P HA 0.052 nan 4.420 nan 0.000 0.271 431 P C -0.340 177.073 177.300 0.188 0.000 1.233 431 P CA -0.319 62.869 63.100 0.146 0.000 0.789 431 P CB 0.365 32.154 31.700 0.149 0.000 0.951 432 E N 1.968 122.303 120.200 0.225 0.000 2.392 432 E HA 0.203 4.554 4.350 0.001 0.000 0.256 432 E C -2.523 174.137 176.600 0.101 0.000 1.145 432 E CA -1.827 54.640 56.400 0.112 0.000 0.929 432 E CB -0.889 28.840 29.700 0.049 0.000 0.998 432 E HN 0.203 nan 8.360 nan 0.000 0.442 433 P HA 0.134 nan 4.420 nan 0.000 0.274 433 P C -0.610 176.711 177.300 0.035 0.000 1.231 433 P CA -0.158 63.025 63.100 0.137 0.000 0.790 433 P CB 0.454 32.170 31.700 0.026 0.000 0.951 434 Q N 0.771 120.684 119.800 0.188 0.000 3.662 434 Q HA 0.309 4.649 4.340 0.001 0.000 0.237 434 Q C -1.254 174.832 176.000 0.144 0.000 0.895 434 Q CA -0.256 55.531 55.803 -0.028 0.000 0.767 434 Q CB 1.223 29.688 28.738 -0.454 0.000 1.469 434 Q HN 0.176 nan 8.270 nan 0.000 0.424 435 V N 0.683 120.632 119.914 0.058 0.000 2.581 435 V HA 0.743 4.864 4.120 0.001 0.000 0.303 435 V C 0.168 176.270 176.094 0.014 0.000 1.041 435 V CA -0.390 61.940 62.300 0.050 0.000 0.907 435 V CB 2.045 33.836 31.823 -0.054 0.000 0.994 435 V HN 0.470 nan 8.190 nan 0.000 0.442 436 T N 1.877 116.475 114.554 0.073 0.000 2.900 436 T HA 0.533 4.883 4.350 0.001 0.000 0.303 436 T C -0.937 173.711 174.700 -0.087 0.000 1.142 436 T CA -0.323 61.766 62.100 -0.018 0.000 1.007 436 T CB 1.946 70.793 68.868 -0.034 0.000 1.156 436 T HN 0.847 nan 8.240 nan 0.000 0.490 437 T N 4.114 118.468 114.554 -0.333 0.000 2.786 437 T HA 0.629 4.980 4.350 0.001 0.000 0.283 437 T C -0.230 174.328 174.700 -0.236 0.000 0.992 437 T CA -0.639 61.110 62.100 -0.585 0.000 0.954 437 T CB 0.015 68.067 68.868 -1.361 0.000 0.934 437 T HN 0.528 nan 8.240 nan 0.000 0.440 438 L N 4.295 125.459 121.223 -0.098 0.000 2.452 438 L HA 0.421 4.761 4.340 0.001 0.000 0.267 438 L C 0.710 177.597 176.870 0.028 0.000 1.188 438 L CA -0.996 53.869 54.840 0.042 0.000 0.821 438 L CB 0.199 42.278 42.059 0.034 0.000 1.102 438 L HN 0.632 nan 8.230 nan 0.000 0.470 439 F N 2.758 122.644 119.950 -0.107 0.000 2.579 439 F HA -0.092 4.436 4.527 0.001 0.000 0.397 439 F C 0.293 175.844 175.800 -0.416 0.000 1.027 439 F CA 0.594 58.438 58.000 -0.260 0.000 1.217 439 F CB 0.068 38.965 39.000 -0.171 0.000 0.986 439 F HN 0.389 nan 8.300 nan 0.000 0.551 440 Q N 6.716 126.084 119.800 -0.720 0.000 2.495 440 Q HA 0.267 4.607 4.340 0.001 0.000 0.287 440 Q C -2.050 173.567 176.000 -0.638 0.000 1.078 440 Q CA -1.784 53.668 55.803 -0.586 0.000 0.793 440 Q CB 1.383 29.652 28.738 -0.781 0.000 1.459 440 Q HN 0.240 nan 8.270 nan 0.000 0.422 441 P HA -0.173 nan 4.420 nan 0.000 0.217 441 P C 1.140 178.244 177.300 -0.326 0.000 1.148 441 P CA 1.763 64.717 63.100 -0.243 0.000 0.828 441 P CB 0.236 31.872 31.700 -0.105 0.000 0.783 442 S N -1.641 113.861 115.700 -0.330 0.000 2.593 442 S HA -0.053 4.417 4.470 0.001 0.000 0.217 442 S C 0.422 174.848 174.600 -0.290 0.000 0.966 442 S CA -0.099 57.976 58.200 -0.208 0.000 0.914 442 S CB -1.232 61.940 63.200 -0.046 0.000 0.776 442 S HN 0.417 nan 8.310 nan 0.000 0.523 443 H N -1.360 117.287 119.070 -0.705 0.000 2.596 443 H HA 0.457 5.014 4.556 0.001 0.000 0.240 443 H C -3.283 170.881 175.328 -1.941 0.000 1.406 443 H CA -1.690 53.542 56.048 -1.359 0.000 1.504 443 H CB 0.359 29.607 29.762 -0.857 0.000 1.688 443 H HN 0.054 nan 8.280 nan 0.000 0.546 444 P HA 0.095 nan 4.420 nan 0.000 0.220 444 P C -1.248 175.260 177.300 -1.320 0.000 1.806 444 P CA 0.195 62.123 63.100 -1.954 0.000 0.976 444 P CB -1.048 30.096 31.700 -0.927 0.000 1.952 445 W N -0.132 120.715 121.300 -0.756 0.000 3.167 445 W HA 0.526 5.186 4.660 0.001 0.000 0.324 445 W C -0.772 175.779 176.519 0.054 0.000 1.230 445 W CA -1.258 56.021 57.345 -0.110 0.000 1.184 445 W CB 0.075 29.535 29.460 0.000 0.000 1.414 445 W HN 0.012 nan 8.180 nan 0.000 0.551 446 H N 0.996 120.312 119.070 0.411 0.000 2.505 446 H HA 0.728 5.284 4.556 0.001 0.000 0.355 446 H C -0.165 175.299 175.328 0.226 0.000 1.179 446 H CA 0.428 56.632 56.048 0.259 0.000 1.343 446 H CB 1.486 31.376 29.762 0.212 0.000 1.501 446 H HN 0.573 nan 8.280 nan 0.000 0.569 447 T N 1.760 115.929 114.554 -0.642 0.000 2.900 447 T HA 0.512 4.863 4.350 0.001 0.000 0.295 447 T C -0.778 173.615 174.700 -0.511 0.000 1.044 447 T CA -1.124 60.649 62.100 -0.545 0.000 0.995 447 T CB 1.713 70.168 68.868 -0.688 0.000 1.072 447 T HN 0.660 nan 8.240 nan 0.000 0.473 448 Q N 1.457 121.168 119.800 -0.149 0.000 2.285 448 Q HA 0.553 4.894 4.340 0.001 0.000 0.269 448 Q C -1.224 174.679 176.000 -0.162 0.000 1.030 448 Q CA -0.598 55.042 55.803 -0.271 0.000 0.788 448 Q CB 2.558 31.024 28.738 -0.454 0.000 1.266 448 Q HN 0.709 nan 8.270 nan 0.000 0.438 449 I N 3.911 124.345 120.570 -0.227 0.000 2.502 449 I HA 0.367 4.538 4.170 0.001 0.000 0.276 449 I C -0.328 175.676 176.117 -0.188 0.000 1.057 449 I CA -0.256 60.800 61.300 -0.407 0.000 1.163 449 I CB 0.254 37.874 38.000 -0.634 0.000 1.288 449 I HN 0.762 nan 8.210 nan 0.000 0.479 450 H N 3.695 122.580 119.070 -0.309 0.000 3.365 450 H HA 0.647 5.204 4.556 0.001 0.000 0.287 450 H C -1.131 174.123 175.328 -0.123 0.000 1.597 450 H CA -1.322 54.616 56.048 -0.183 0.000 1.192 450 H CB 1.376 31.054 29.762 -0.140 0.000 1.829 450 H HN 0.090 nan 8.280 nan 0.000 0.739 451 R N 1.405 121.687 120.500 -0.363 0.000 2.538 451 R HA 0.261 4.601 4.340 0.001 0.000 0.292 451 R C -1.465 174.548 176.300 -0.479 0.000 1.008 451 R CA -0.560 55.318 56.100 -0.370 0.000 0.896 451 R CB 1.809 32.041 30.300 -0.113 0.000 1.187 451 R HN 0.900 nan 8.270 nan 0.000 0.440 452 D N 0.775 120.916 120.400 -0.432 0.000 2.689 452 D HA 0.438 5.078 4.640 0.001 0.000 0.255 452 D C -0.413 175.879 176.300 -0.014 0.000 1.113 452 D CA -0.820 53.058 54.000 -0.203 0.000 1.115 452 D CB 0.398 41.101 40.800 -0.163 0.000 1.334 452 D HN 0.365 nan 8.370 nan 0.000 0.621 453 A N -0.433 122.406 122.820 0.032 0.000 2.566 453 A HA 0.351 4.672 4.320 0.001 0.000 0.245 453 A C -0.823 176.846 177.584 0.141 0.000 1.056 453 A CA 0.234 52.339 52.037 0.113 0.000 0.757 453 A CB -0.934 18.163 19.000 0.161 0.000 0.979 453 A HN 0.433 nan 8.150 nan 0.000 0.508 454 F N 1.952 121.865 119.950 -0.061 0.000 2.578 454 F HA 0.475 5.002 4.527 0.001 0.000 0.311 454 F C 0.445 176.085 175.800 -0.266 0.000 1.094 454 F CA -0.375 57.479 58.000 -0.244 0.000 0.923 454 F CB 2.202 40.924 39.000 -0.464 0.000 1.230 454 F HN 0.389 nan 8.300 nan 0.000 0.450 455 S N 5.024 120.105 115.700 -1.031 0.000 3.036 455 S HA 0.316 4.787 4.470 0.001 0.000 0.301 455 S C -0.968 173.321 174.600 -0.518 0.000 1.205 455 S CA -0.247 57.581 58.200 -0.620 0.000 0.999 455 S CB -0.823 62.038 63.200 -0.565 0.000 1.337 455 S HN 0.436 nan 8.310 nan 0.000 0.515 456 Y N 2.388 122.728 120.300 0.066 0.000 2.442 456 Y HA 0.366 4.917 4.550 0.001 0.000 0.330 456 Y C 1.496 177.448 175.900 0.086 0.000 1.129 456 Y CA 0.165 58.387 58.100 0.204 0.000 1.365 456 Y CB 0.435 39.029 38.460 0.223 0.000 1.233 456 Y HN 0.639 nan 8.280 nan 0.000 0.529 457 G N 1.122 110.063 108.800 0.235 0.000 2.614 457 G HA2 0.264 4.224 3.960 0.001 0.000 0.239 457 G HA3 0.264 4.224 3.960 0.001 0.000 0.239 457 G C 0.867 175.858 174.900 0.151 0.000 1.240 457 G CA -0.075 45.111 45.100 0.144 0.000 0.842 457 G HN 0.922 nan 8.290 nan 0.000 0.584 458 A N 0.769 123.647 122.820 0.096 0.000 2.019 458 A HA -0.009 4.312 4.320 0.001 0.000 0.219 458 A C 2.449 180.076 177.584 0.073 0.000 1.164 458 A CA 1.842 53.925 52.037 0.077 0.000 0.644 458 A CB -0.318 18.712 19.000 0.051 0.000 0.805 458 A HN 0.554 nan 8.150 nan 0.000 0.449 459 V N -0.304 119.656 119.914 0.078 0.000 2.323 459 V HA -0.287 3.834 4.120 0.001 0.000 0.244 459 V C 2.541 178.684 176.094 0.082 0.000 1.041 459 V CA 2.054 64.395 62.300 0.069 0.000 1.025 459 V CB -1.021 30.840 31.823 0.063 0.000 0.656 459 V HN 0.634 nan 8.190 nan 0.000 0.451 460 Q N -0.125 119.754 119.800 0.131 0.000 2.135 460 Q HA -0.252 4.088 4.340 0.001 0.000 0.204 460 Q C 2.261 178.299 176.000 0.063 0.000 0.981 460 Q CA 1.513 57.411 55.803 0.158 0.000 0.856 460 Q CB -0.278 28.670 28.738 0.351 0.000 0.902 460 Q HN 0.662 nan 8.270 nan 0.000 0.425 461 Q N -0.085 119.756 119.800 0.069 0.000 2.443 461 Q HA -0.123 4.218 4.340 0.001 0.000 0.213 461 Q C 1.938 177.927 176.000 -0.019 0.000 0.982 461 Q CA 0.799 56.599 55.803 -0.006 0.000 0.894 461 Q CB -0.125 28.640 28.738 0.044 0.000 0.947 461 Q HN 0.214 nan 8.270 nan 0.000 0.480 462 S N -0.096 115.607 115.700 0.005 0.000 2.428 462 S HA -0.033 4.438 4.470 0.001 0.000 0.230 462 S C 0.884 175.477 174.600 -0.012 0.000 1.014 462 S CA 0.195 58.397 58.200 0.003 0.000 0.957 462 S CB 0.229 63.440 63.200 0.018 0.000 0.784 462 S HN 0.142 nan 8.310 nan 0.000 0.499 463 I N 2.805 123.357 120.570 -0.031 0.000 2.365 463 I HA 0.247 4.417 4.170 0.001 0.000 0.291 463 I C 0.359 176.435 176.117 -0.068 0.000 1.004 463 I CA -0.820 60.457 61.300 -0.038 0.000 1.311 463 I CB 0.791 38.773 38.000 -0.030 0.000 1.401 463 I HN 0.177 nan 8.210 nan 0.000 0.491 464 D N 3.839 124.217 120.400 -0.037 0.000 2.493 464 D HA -0.095 4.546 4.640 0.001 0.000 0.240 464 D C 1.151 177.414 176.300 -0.060 0.000 1.142 464 D CA 0.392 54.373 54.000 -0.031 0.000 0.872 464 D CB 1.134 41.939 40.800 0.008 0.000 1.173 464 D HN 0.598 nan 8.370 nan 0.000 0.467 465 S N 3.933 119.586 115.700 -0.078 0.000 2.400 465 S HA -0.185 4.285 4.470 0.001 0.000 0.232 465 S C 1.771 176.345 174.600 -0.042 0.000 1.025 465 S CA 1.088 59.227 58.200 -0.100 0.000 0.993 465 S CB 0.056 63.214 63.200 -0.071 0.000 0.808 465 S HN 0.522 nan 8.310 nan 0.000 0.478 466 R N 0.216 120.705 120.500 -0.019 0.000 2.200 466 R HA 0.005 4.346 4.340 0.001 0.000 0.234 466 R C 1.877 178.163 176.300 -0.022 0.000 1.127 466 R CA 1.276 57.363 56.100 -0.022 0.000 0.989 466 R CB -0.349 29.929 30.300 -0.037 0.000 0.869 466 R HN 0.446 nan 8.270 nan 0.000 0.459 467 L N 0.243 121.455 121.223 -0.019 0.000 2.509 467 L HA 0.141 4.481 4.340 0.001 0.000 0.222 467 L C 0.664 177.541 176.870 0.011 0.000 1.123 467 L CA 0.108 54.944 54.840 -0.005 0.000 0.856 467 L CB 0.114 42.170 42.059 -0.006 0.000 0.985 467 L HN 0.048 nan 8.230 nan 0.000 0.456 468 I N 0.186 120.759 120.570 0.004 0.000 2.385 468 I HA 0.254 4.424 4.170 0.001 0.000 0.294 468 I C -0.581 175.558 176.117 0.037 0.000 0.988 468 I CA -0.416 60.902 61.300 0.030 0.000 1.265 468 I CB 1.761 39.775 38.000 0.022 0.000 1.388 468 I HN -0.297 nan 8.210 nan 0.000 0.480 469 V N 4.815 124.770 119.914 0.068 0.000 2.709 469 V HA 0.341 4.461 4.120 0.001 0.000 0.308 469 V C -0.808 175.287 176.094 0.002 0.000 1.062 469 V CA -0.850 61.455 62.300 0.007 0.000 0.901 469 V CB 2.134 33.966 31.823 0.015 0.000 1.003 469 V HN 0.584 nan 8.190 nan 0.000 0.425 470 D N 2.429 122.755 120.400 -0.123 0.000 2.210 470 D HA 0.476 5.117 4.640 0.001 0.000 0.249 470 D C -1.026 175.175 176.300 -0.165 0.000 1.062 470 D CA 0.044 54.003 54.000 -0.069 0.000 0.891 470 D CB 1.491 42.281 40.800 -0.016 0.000 1.186 470 D HN 0.449 nan 8.370 nan 0.000 0.432 471 W N 1.246 122.493 121.300 -0.090 0.000 2.538 471 W HA 0.452 5.112 4.660 0.001 0.000 0.322 471 W C 0.205 176.732 176.519 0.012 0.000 1.028 471 W CA -0.836 56.495 57.345 -0.023 0.000 1.228 471 W CB 1.328 30.659 29.460 -0.214 0.000 1.356 471 W HN -0.076 nan 8.180 nan 0.000 0.452 472 R N 3.019 123.730 120.500 0.351 0.000 2.502 472 R HA 0.473 4.813 4.340 0.001 0.000 0.298 472 R C -1.578 174.890 176.300 0.279 0.000 1.018 472 R CA -0.825 55.379 56.100 0.173 0.000 0.899 472 R CB 1.538 31.901 30.300 0.106 0.000 1.181 472 R HN 0.177 nan 8.270 nan 0.000 0.444 473 F N 3.118 122.917 119.950 -0.252 0.000 2.458 473 F HA 0.505 5.032 4.527 0.001 0.000 0.336 473 F C -0.299 175.396 175.800 -0.175 0.000 1.114 473 F CA -1.449 56.494 58.000 -0.094 0.000 0.987 473 F CB 1.073 39.965 39.000 -0.181 0.000 1.130 473 F HN 0.295 nan 8.300 nan 0.000 0.458 474 F N 1.271 121.411 119.950 0.316 0.000 2.449 474 F HA 0.644 5.172 4.527 0.001 0.000 0.342 474 F C 0.651 176.662 175.800 0.351 0.000 1.127 474 F CA -1.091 57.098 58.000 0.314 0.000 0.975 474 F CB 1.547 40.783 39.000 0.393 0.000 1.146 474 F HN 0.521 nan 8.300 nan 0.000 0.444 475 G N 2.171 111.227 108.800 0.426 0.000 2.451 475 G HA2 0.590 4.550 3.960 0.001 0.000 0.303 475 G HA3 0.590 4.550 3.960 0.001 0.000 0.303 475 G C -0.718 174.381 174.900 0.331 0.000 1.166 475 G CA -1.041 44.289 45.100 0.383 0.000 0.884 475 G HN 0.721 nan 8.290 nan 0.000 0.514 476 R N -0.605 120.090 120.500 0.326 0.000 2.459 476 R HA 0.622 4.962 4.340 0.001 0.000 0.281 476 R C -0.923 175.481 176.300 0.173 0.000 1.050 476 R CA -0.478 55.737 56.100 0.191 0.000 1.055 476 R CB 0.972 31.400 30.300 0.213 0.000 1.045 476 R HN 0.257 nan 8.270 nan 0.000 0.495 477 T N 1.815 116.437 114.554 0.113 0.000 2.809 477 T HA 0.108 4.458 4.350 0.001 0.000 0.284 477 T C -0.801 173.980 174.700 0.135 0.000 0.992 477 T CA -0.661 61.555 62.100 0.193 0.000 0.957 477 T CB 1.332 70.391 68.868 0.318 0.000 0.942 477 T HN 0.687 nan 8.240 nan 0.000 0.439 478 E N 5.069 125.352 120.200 0.138 0.000 2.417 478 E HA 0.069 4.420 4.350 0.001 0.000 0.261 478 E C -2.060 174.617 176.600 0.129 0.000 1.000 478 E CA -1.451 55.020 56.400 0.117 0.000 0.919 478 E CB 0.486 30.247 29.700 0.101 0.000 0.955 478 E HN 0.192 nan 8.360 nan 0.000 0.455 479 P HA 0.067 nan 4.420 nan 0.000 0.271 479 P C -1.227 176.230 177.300 0.262 0.000 1.233 479 P CA 0.203 63.441 63.100 0.231 0.000 0.764 479 P CB 0.625 32.477 31.700 0.253 0.000 0.825 480 K N 2.795 123.292 120.400 0.162 0.000 2.427 480 K HA 0.173 4.493 4.320 0.001 0.000 0.252 480 K C 0.963 177.394 176.600 -0.282 0.000 0.931 480 K CA -0.719 55.580 56.287 0.020 0.000 0.793 480 K CB 2.409 34.877 32.500 -0.052 0.000 1.211 480 K HN 0.441 nan 8.250 nan 0.000 0.426 481 E N 2.161 122.032 120.200 -0.548 0.000 2.118 481 E HA -0.224 4.127 4.350 0.001 0.000 0.195 481 E C 1.066 177.399 176.600 -0.445 0.000 0.992 481 E CA 1.569 57.385 56.400 -0.973 0.000 0.804 481 E CB 0.450 29.798 29.700 -0.588 0.000 0.741 481 E HN 0.556 nan 8.360 nan 0.000 0.458 482 E N 0.406 120.458 120.200 -0.247 0.000 2.338 482 E HA -0.134 4.217 4.350 0.001 0.000 0.197 482 E C -0.010 176.526 176.600 -0.108 0.000 1.007 482 E CA 0.413 56.724 56.400 -0.148 0.000 0.849 482 E CB -0.309 29.322 29.700 -0.115 0.000 0.774 482 E HN 0.089 nan 8.360 nan 0.000 0.506 483 N N 2.068 120.694 118.700 -0.123 0.000 2.406 483 N HA 0.168 4.908 4.740 0.001 0.000 0.251 483 N C -0.717 174.851 175.510 0.097 0.000 1.069 483 N CA 0.129 53.164 53.050 -0.024 0.000 0.947 483 N CB 1.085 39.521 38.487 -0.085 0.000 1.111 483 N HN 0.126 nan 8.380 nan 0.000 0.497 484 K N 1.139 121.647 120.400 0.180 0.000 2.375 484 K HA 0.474 4.794 4.320 0.001 0.000 0.249 484 K C -0.994 175.749 176.600 0.238 0.000 0.942 484 K CA -0.968 55.442 56.287 0.205 0.000 0.806 484 K CB 2.386 35.013 32.500 0.212 0.000 1.227 484 K HN 0.178 nan 8.250 nan 0.000 0.430 485 L N 3.757 125.064 121.223 0.141 0.000 2.305 485 L HA 0.556 4.896 4.340 0.001 0.000 0.284 485 L C -1.205 175.596 176.870 -0.115 0.000 1.013 485 L CA -0.086 54.668 54.840 -0.144 0.000 0.819 485 L CB 0.490 42.448 42.059 -0.168 0.000 1.227 485 L HN 0.717 nan 8.230 nan 0.000 0.417 486 W N 3.545 124.560 121.300 -0.474 0.000 2.967 486 W HA 0.667 5.327 4.660 0.001 0.000 0.342 486 W C -2.114 173.981 176.519 -0.707 0.000 1.162 486 W CA -1.214 55.913 57.345 -0.365 0.000 1.085 486 W CB 0.896 30.284 29.460 -0.120 0.000 1.460 486 W HN 0.351 nan 8.180 nan 0.000 0.584 487 F N 1.346 121.500 119.950 0.340 0.000 2.547 487 F HA 0.347 4.875 4.527 0.001 0.000 0.316 487 F C 0.699 176.658 175.800 0.265 0.000 1.121 487 F CA -0.920 57.151 58.000 0.119 0.000 0.911 487 F CB 2.165 41.207 39.000 0.070 0.000 1.179 487 F HN 0.260 nan 8.300 nan 0.000 0.443 488 S N 0.869 116.723 115.700 0.257 0.000 2.576 488 S HA 0.088 4.559 4.470 0.001 0.000 0.276 488 S C 0.646 175.395 174.600 0.249 0.000 1.339 488 S CA -0.503 57.872 58.200 0.292 0.000 1.039 488 S CB 0.436 63.711 63.200 0.126 0.000 0.902 488 S HN 0.700 nan 8.310 nan 0.000 0.516 489 D N 2.262 122.794 120.400 0.219 0.000 2.328 489 D HA 0.204 4.844 4.640 0.001 0.000 0.221 489 D C 0.842 177.204 176.300 0.103 0.000 1.072 489 D CA 0.204 54.287 54.000 0.139 0.000 0.850 489 D CB 0.261 41.126 40.800 0.108 0.000 0.922 489 D HN 0.267 nan 8.370 nan 0.000 0.516 490 K N -0.394 120.071 120.400 0.109 0.000 2.665 490 K HA 0.200 4.520 4.320 0.001 0.000 0.197 490 K C 0.100 176.743 176.600 0.072 0.000 1.463 490 K CA 0.009 56.344 56.287 0.080 0.000 1.107 490 K CB 1.157 33.704 32.500 0.079 0.000 1.584 490 K HN 0.041 nan 8.250 nan 0.000 0.558 491 I N 3.170 123.786 120.570 0.077 0.000 2.472 491 I HA 0.163 4.333 4.170 0.001 0.000 0.290 491 I C 0.669 176.823 176.117 0.062 0.000 1.016 491 I CA -0.013 61.321 61.300 0.057 0.000 1.348 491 I CB 1.018 39.040 38.000 0.036 0.000 1.417 491 I HN 0.123 nan 8.210 nan 0.000 0.521 492 T N 1.145 115.732 114.554 0.055 0.000 2.924 492 T HA 0.604 4.954 4.350 0.001 0.000 0.291 492 T C -0.380 174.358 174.700 0.063 0.000 1.045 492 T CA -0.906 61.234 62.100 0.067 0.000 1.015 492 T CB 2.397 71.302 68.868 0.060 0.000 1.103 492 T HN 0.545 nan 8.240 nan 0.000 0.496 493 D N 0.589 121.044 120.400 0.091 0.000 2.507 493 D HA 0.490 5.131 4.640 0.001 0.000 0.280 493 D C 1.618 177.956 176.300 0.064 0.000 1.219 493 D CA -0.434 53.624 54.000 0.096 0.000 1.085 493 D CB -0.013 40.884 40.800 0.162 0.000 1.134 493 D HN 0.646 nan 8.370 nan 0.000 0.583 494 A N -1.420 121.426 122.820 0.042 0.000 2.067 494 A HA -0.098 4.222 4.320 0.001 0.000 0.219 494 A C 1.252 178.667 177.584 -0.283 0.000 1.158 494 A CA 0.841 52.804 52.037 -0.123 0.000 0.661 494 A CB -0.959 17.933 19.000 -0.180 0.000 0.801 494 A HN 0.544 nan 8.150 nan 0.000 0.452 495 Y N -1.082 119.243 120.300 0.042 0.000 2.625 495 Y HA 0.236 4.786 4.550 0.001 0.000 0.285 495 Y C 0.804 176.737 175.900 0.054 0.000 1.168 495 Y CA -0.152 57.975 58.100 0.045 0.000 1.250 495 Y CB -0.476 37.998 38.460 0.022 0.000 1.130 495 Y HN 0.446 nan 8.280 nan 0.000 0.526 496 N N -0.137 118.636 118.700 0.122 0.000 2.725 496 N HA -0.177 4.564 4.740 0.001 0.000 0.249 496 N C -0.627 174.941 175.510 0.096 0.000 1.103 496 N CA 0.526 53.630 53.050 0.089 0.000 0.707 496 N CB -0.456 38.069 38.487 0.064 0.000 1.043 496 N HN 0.132 nan 8.380 nan 0.000 0.553 497 M N -0.291 119.385 119.600 0.127 0.000 2.528 497 M HA 0.431 4.911 4.480 0.001 0.000 0.318 497 M C -2.076 174.293 176.300 0.116 0.000 1.195 497 M CA -2.026 53.336 55.300 0.104 0.000 1.000 497 M CB 0.443 33.112 32.600 0.116 0.000 1.615 497 M HN -0.236 nan 8.290 nan 0.000 0.469 498 P HA 0.016 nan 4.420 nan 0.000 0.264 498 P C -0.669 176.787 177.300 0.259 0.000 1.193 498 P CA 0.022 63.219 63.100 0.163 0.000 0.763 498 P CB 0.258 32.057 31.700 0.165 0.000 0.810 499 Q N 6.880 126.778 119.800 0.164 0.000 2.296 499 Q HA 0.203 4.543 4.340 0.001 0.000 0.262 499 Q C -2.302 173.670 176.000 -0.047 0.000 0.981 499 Q CA -2.216 53.630 55.803 0.073 0.000 0.905 499 Q CB -0.120 28.613 28.738 -0.010 0.000 1.186 499 Q HN 0.285 nan 8.270 nan 0.000 0.399 500 P HA 0.088 nan 4.420 nan 0.000 0.271 500 P C -1.025 175.791 177.300 -0.807 0.000 1.216 500 P CA -0.070 62.598 63.100 -0.719 0.000 0.771 500 P CB 0.941 32.303 31.700 -0.564 0.000 0.864 501 T N 3.326 117.186 114.554 -1.157 0.000 2.921 501 T HA 0.496 4.846 4.350 0.001 0.000 0.297 501 T C -0.575 173.494 174.700 -1.053 0.000 1.013 501 T CA -0.106 61.323 62.100 -1.119 0.000 0.990 501 T CB 0.466 68.319 68.868 -1.692 0.000 1.023 501 T HN 0.056 nan 8.240 nan 0.000 0.447 502 F N 1.965 121.637 119.950 -0.463 0.000 2.397 502 F HA 0.518 5.045 4.527 0.001 0.000 0.331 502 F C 0.672 176.417 175.800 -0.092 0.000 1.090 502 F CA -0.884 56.972 58.000 -0.241 0.000 1.065 502 F CB 1.147 40.050 39.000 -0.161 0.000 1.184 502 F HN 0.387 nan 8.300 nan 0.000 0.499 503 D N 3.353 123.923 120.400 0.283 0.000 2.408 503 D HA 0.226 4.866 4.640 0.001 0.000 0.261 503 D C -1.793 174.642 176.300 0.225 0.000 1.190 503 D CA -0.092 54.059 54.000 0.251 0.000 0.910 503 D CB 0.418 41.396 40.800 0.297 0.000 1.097 503 D HN 0.296 nan 8.370 nan 0.000 0.522 504 F N 3.379 123.321 119.950 -0.013 0.000 2.574 504 F HA 0.549 5.076 4.527 0.001 0.000 0.313 504 F C -1.224 174.470 175.800 -0.176 0.000 1.130 504 F CA -0.594 57.333 58.000 -0.122 0.000 0.936 504 F CB 1.342 40.204 39.000 -0.230 0.000 1.219 504 F HN 0.023 nan 8.300 nan 0.000 0.445 505 R N 4.305 124.328 120.500 -0.795 0.000 2.771 505 R HA 0.378 4.719 4.340 0.001 0.000 0.274 505 R C -1.612 174.088 176.300 -1.001 0.000 0.987 505 R CA -0.979 54.741 56.100 -0.633 0.000 0.908 505 R CB 1.835 31.970 30.300 -0.274 0.000 1.213 505 R HN 0.579 nan 8.270 nan 0.000 0.468 506 F N 2.854 122.591 119.950 -0.354 0.000 2.543 506 F HA 0.169 4.697 4.527 0.001 0.000 0.375 506 F C -1.325 174.350 175.800 -0.208 0.000 1.075 506 F CA -1.146 56.724 58.000 -0.216 0.000 1.225 506 F CB -0.084 38.908 39.000 -0.013 0.000 1.099 506 F HN 0.127 nan 8.300 nan 0.000 0.561 507 P HA 0.105 nan 4.420 nan 0.000 0.266 507 P C -0.566 176.747 177.300 0.022 0.000 1.195 507 P CA -0.168 62.910 63.100 -0.037 0.000 0.768 507 P CB 0.522 32.218 31.700 -0.008 0.000 0.838 508 A N 2.816 125.636 122.820 0.000 0.000 2.448 508 A HA 0.509 4.830 4.320 0.001 0.000 0.239 508 A C 1.138 178.736 177.584 0.024 0.000 1.080 508 A CA 0.930 52.973 52.037 0.010 0.000 0.779 508 A CB -1.029 17.969 19.000 -0.002 0.000 1.026 508 A HN 0.842 nan 8.150 nan 0.000 0.499 509 G N 0.148 108.964 108.800 0.027 0.000 2.481 509 G HA2 -0.240 3.720 3.960 0.001 0.000 0.230 509 G HA3 -0.240 3.720 3.960 0.001 0.000 0.230 509 G C 1.005 175.936 174.900 0.050 0.000 1.210 509 G CA 0.745 45.867 45.100 0.036 0.000 0.936 509 G HN 1.080 nan 8.290 nan 0.000 0.583 510 R N -0.170 120.366 120.500 0.060 0.000 2.103 510 R HA -0.101 4.240 4.340 0.001 0.000 0.242 510 R C 2.757 179.114 176.300 0.095 0.000 1.142 510 R CA 2.832 58.977 56.100 0.076 0.000 0.960 510 R CB -0.961 29.386 30.300 0.078 0.000 0.858 510 R HN 0.627 nan 8.270 nan 0.000 0.439 511 T N 0.093 114.708 114.554 0.101 0.000 2.720 511 T HA -0.116 4.234 4.350 0.001 0.000 0.268 511 T C 1.932 176.686 174.700 0.091 0.000 1.037 511 T CA 1.848 64.023 62.100 0.125 0.000 1.144 511 T CB -0.170 68.792 68.868 0.157 0.000 0.864 511 T HN 0.287 nan 8.240 nan 0.000 0.444 512 S N 0.387 116.125 115.700 0.064 0.000 2.371 512 S HA 0.004 4.475 4.470 0.001 0.000 0.224 512 S C 2.026 176.639 174.600 0.022 0.000 1.029 512 S CA 0.795 59.004 58.200 0.016 0.000 0.978 512 S CB -0.150 63.055 63.200 0.009 0.000 0.833 512 S HN 0.457 nan 8.310 nan 0.000 0.466 513 K N 1.312 121.741 120.400 0.048 0.000 2.057 513 K HA -0.111 4.209 4.320 0.001 0.000 0.207 513 K C 1.893 178.552 176.600 0.097 0.000 1.049 513 K CA 1.344 57.668 56.287 0.061 0.000 0.931 513 K CB -0.124 32.416 32.500 0.066 0.000 0.714 513 K HN 0.351 nan 8.250 nan 0.000 0.440 514 E N -0.094 120.186 120.200 0.134 0.000 2.110 514 E HA -0.182 4.168 4.350 0.001 0.000 0.193 514 E C 1.918 178.620 176.600 0.171 0.000 0.988 514 E CA 0.992 57.527 56.400 0.225 0.000 0.804 514 E CB -0.076 29.776 29.700 0.254 0.000 0.745 514 E HN 0.428 nan 8.360 nan 0.000 0.458 515 A N 1.258 124.143 122.820 0.108 0.000 1.902 515 A HA -0.232 4.089 4.320 0.001 0.000 0.217 515 A C 2.071 179.735 177.584 0.133 0.000 1.181 515 A CA 1.717 53.814 52.037 0.100 0.000 0.623 515 A CB -0.333 18.672 19.000 0.008 0.000 0.818 515 A HN 0.127 nan 8.150 nan 0.000 0.443 516 E N 0.556 120.814 120.200 0.097 0.000 2.072 516 E HA -0.142 4.208 4.350 0.001 0.000 0.190 516 E C 1.307 177.898 176.600 -0.015 0.000 0.982 516 E CA 1.466 57.921 56.400 0.091 0.000 0.803 516 E CB -0.324 29.405 29.700 0.048 0.000 0.755 516 E HN 0.501 nan 8.360 nan 0.000 0.453 517 D N -0.052 120.343 120.400 -0.007 0.000 2.149 517 D HA -0.193 4.447 4.640 0.001 0.000 0.198 517 D C 1.902 177.978 176.300 -0.374 0.000 0.990 517 D CA 1.187 55.164 54.000 -0.038 0.000 0.839 517 D CB -0.317 40.593 40.800 0.183 0.000 0.948 517 D HN 0.321 nan 8.370 nan 0.000 0.460 518 M N -0.283 118.913 119.600 -0.673 0.000 2.086 518 M HA -0.199 4.281 4.480 0.001 0.000 0.261 518 M C 2.072 177.944 176.300 -0.712 0.000 1.067 518 M CA 1.257 55.803 55.300 -1.257 0.000 1.116 518 M CB 0.001 32.123 32.600 -0.796 0.000 1.348 518 M HN -0.013 nan 8.290 nan 0.000 0.407 519 M N 0.210 119.520 119.600 -0.482 0.000 2.080 519 M HA -0.156 4.324 4.480 0.001 0.000 0.260 519 M C 1.755 177.831 176.300 -0.373 0.000 1.068 519 M CA 2.353 57.359 55.300 -0.491 0.000 1.109 519 M CB -0.950 31.416 32.600 -0.390 0.000 1.342 519 M HN 0.241 nan 8.290 nan 0.000 0.405 520 T N 0.172 114.576 114.554 -0.249 0.000 2.684 520 T HA -0.181 4.170 4.350 0.001 0.000 0.267 520 T C 1.482 176.097 174.700 -0.140 0.000 1.036 520 T CA 1.884 63.893 62.100 -0.152 0.000 1.148 520 T CB -0.635 68.190 68.868 -0.071 0.000 0.863 520 T HN 0.560 nan 8.240 nan 0.000 0.436 521 D N 0.525 120.835 120.400 -0.150 0.000 2.123 521 D HA -0.099 4.542 4.640 0.001 0.000 0.196 521 D C 2.055 178.331 176.300 -0.039 0.000 0.992 521 D CA 0.972 54.990 54.000 0.030 0.000 0.833 521 D CB -0.223 40.697 40.800 0.201 0.000 0.954 521 D HN 0.314 nan 8.370 nan 0.000 0.455 522 M N -0.575 118.751 119.600 -0.456 0.000 2.159 522 M HA -0.159 4.322 4.480 0.001 0.000 0.263 522 M C 1.881 177.874 176.300 -0.510 0.000 1.063 522 M CA 1.279 56.044 55.300 -0.892 0.000 1.110 522 M CB -0.119 31.668 32.600 -1.356 0.000 1.374 522 M HN 0.196 nan 8.290 nan 0.000 0.411 523 C N -0.363 118.742 119.300 -0.324 0.000 2.453 523 C HA -0.096 4.365 4.460 0.001 0.000 0.277 523 C C 2.666 177.557 174.990 -0.165 0.000 1.262 523 C CA 0.816 59.757 59.018 -0.128 0.000 1.718 523 C CB -0.930 26.787 27.740 -0.038 0.000 2.031 523 C HN 0.492 nan 8.230 nan 0.000 0.480 524 V N 0.667 120.516 119.914 -0.109 0.000 2.295 524 V HA -0.301 3.819 4.120 0.001 0.000 0.246 524 V C 2.395 178.464 176.094 -0.042 0.000 1.049 524 V CA 2.327 64.595 62.300 -0.053 0.000 1.024 524 V CB -0.659 31.185 31.823 0.035 0.000 0.648 524 V HN 0.591 nan 8.190 nan 0.000 0.447 525 M N 0.647 120.257 119.600 0.018 0.000 2.156 525 M HA -0.146 4.334 4.480 0.001 0.000 0.264 525 M C 2.477 178.650 176.300 -0.211 0.000 1.067 525 M CA 2.192 57.579 55.300 0.145 0.000 1.131 525 M CB -0.173 32.679 32.600 0.420 0.000 1.368 525 M HN 0.554 nan 8.290 nan 0.000 0.416 526 S N 0.630 115.873 115.700 -0.761 0.000 2.399 526 S HA -0.071 4.399 4.470 0.001 0.000 0.231 526 S C 1.983 176.171 174.600 -0.688 0.000 1.022 526 S CA 1.013 58.323 58.200 -1.483 0.000 0.983 526 S CB -0.899 61.197 63.200 -1.840 0.000 0.803 526 S HN 0.572 nan 8.310 nan 0.000 0.480 527 A N 1.992 124.517 122.820 -0.492 0.000 2.070 527 A HA -0.029 4.291 4.320 0.001 0.000 0.220 527 A C 2.158 179.611 177.584 -0.220 0.000 1.159 527 A CA 1.409 53.219 52.037 -0.377 0.000 0.656 527 A CB -0.541 18.263 19.000 -0.325 0.000 0.800 527 A HN 0.634 nan 8.150 nan 0.000 0.453 528 K N -0.726 119.591 120.400 -0.139 0.000 2.365 528 K HA 0.068 4.389 4.320 0.001 0.000 0.199 528 K C 1.160 177.752 176.600 -0.013 0.000 1.045 528 K CA 0.630 56.885 56.287 -0.054 0.000 0.962 528 K CB 0.037 32.545 32.500 0.014 0.000 0.759 528 K HN 0.395 nan 8.250 nan 0.000 0.469 529 I N -0.622 119.952 120.570 0.008 0.000 3.172 529 I HA 0.146 4.317 4.170 0.001 0.000 0.278 529 I C 1.103 177.232 176.117 0.021 0.000 1.174 529 I CA 0.611 61.967 61.300 0.093 0.000 1.445 529 I CB 0.015 38.220 38.000 0.341 0.000 1.175 529 I HN 0.097 nan 8.210 nan 0.000 0.447 530 G N -0.673 108.083 108.800 -0.073 0.000 2.356 530 G HA2 0.454 4.414 3.960 0.001 0.000 0.294 530 G HA3 0.454 4.414 3.960 0.001 0.000 0.294 530 G C -0.636 174.113 174.900 -0.251 0.000 1.423 530 G CA -0.177 44.856 45.100 -0.112 0.000 0.806 530 G HN 0.273 nan 8.290 nan 0.000 0.527 531 G N -1.032 107.620 108.800 -0.246 0.000 2.572 531 G HA2 0.541 4.501 3.960 0.001 0.000 0.261 531 G HA3 0.541 4.501 3.960 0.001 0.000 0.261 531 G C -0.163 174.557 174.900 -0.300 0.000 1.197 531 G CA -0.483 44.386 45.100 -0.386 0.000 0.870 531 G HN 0.455 nan 8.290 nan 0.000 0.548 532 F N -0.657 119.194 119.950 -0.165 0.000 2.595 532 F HA 0.170 4.697 4.527 0.001 0.000 0.359 532 F C 0.751 176.489 175.800 -0.103 0.000 1.147 532 F CA -0.658 57.239 58.000 -0.173 0.000 1.341 532 F CB 0.526 39.416 39.000 -0.184 0.000 1.104 532 F HN 0.206 nan 8.300 nan 0.000 0.603 533 L N 5.735 127.025 121.223 0.112 0.000 2.313 533 L HA 0.445 4.785 4.340 0.001 0.000 0.282 533 L C -2.456 174.461 176.870 0.078 0.000 1.092 533 L CA -1.890 52.995 54.840 0.075 0.000 0.831 533 L CB 0.228 42.329 42.059 0.070 0.000 1.159 533 L HN 0.273 nan 8.230 nan 0.000 0.442 534 P HA 0.193 nan 4.420 nan 0.000 0.265 534 P C 0.638 177.988 177.300 0.082 0.000 1.187 534 P CA 1.056 64.196 63.100 0.066 0.000 0.766 534 P CB 0.661 32.394 31.700 0.056 0.000 0.820 535 G N 1.819 110.661 108.800 0.071 0.000 2.225 535 G HA2 -0.243 3.717 3.960 0.001 0.000 0.254 535 G HA3 -0.243 3.717 3.960 0.001 0.000 0.254 535 G C 0.448 175.427 174.900 0.132 0.000 0.988 535 G CA 0.262 45.423 45.100 0.101 0.000 0.625 535 G HN 0.537 nan 8.290 nan 0.000 0.527 536 S N 0.887 116.639 115.700 0.088 0.000 2.327 536 S HA 0.552 5.022 4.470 0.001 0.000 0.203 536 S C 0.367 174.886 174.600 -0.135 0.000 1.326 536 S CA -0.543 57.698 58.200 0.069 0.000 1.248 536 S CB 0.317 63.531 63.200 0.023 0.000 1.199 536 S HN 0.464 nan 8.310 nan 0.000 0.422 537 L N 2.694 123.826 121.223 -0.151 0.000 2.439 537 L HA 0.410 4.750 4.340 0.001 0.000 0.261 537 L C -1.968 174.609 176.870 -0.490 0.000 1.153 537 L CA -2.368 52.246 54.840 -0.377 0.000 0.808 537 L CB 0.140 42.041 42.059 -0.264 0.000 1.126 537 L HN 0.107 nan 8.230 nan 0.000 0.460 538 P HA 0.004 nan 4.420 nan 0.000 0.264 538 P C -1.494 175.567 177.300 -0.399 0.000 1.193 538 P CA 0.121 62.818 63.100 -0.672 0.000 0.763 538 P CB 0.576 31.769 31.700 -0.844 0.000 0.810 539 Q N 1.746 121.359 119.800 -0.312 0.000 2.527 539 Q HA 0.456 4.796 4.340 0.001 0.000 0.280 539 Q C -1.466 174.390 176.000 -0.241 0.000 0.977 539 Q CA -0.899 54.801 55.803 -0.171 0.000 0.837 539 Q CB 0.604 29.323 28.738 -0.033 0.000 1.454 539 Q HN 0.113 nan 8.270 nan 0.000 0.387 540 F N 1.475 121.371 119.950 -0.091 0.000 2.443 540 F HA 0.286 4.813 4.527 0.001 0.000 0.353 540 F C 0.744 176.514 175.800 -0.051 0.000 1.101 540 F CA -0.381 57.567 58.000 -0.086 0.000 1.226 540 F CB 0.905 39.843 39.000 -0.103 0.000 1.140 540 F HN 0.395 nan 8.300 nan 0.000 0.557 541 M N 1.960 121.616 119.600 0.093 0.000 2.240 541 M HA 0.058 4.539 4.480 0.001 0.000 0.333 541 M C 0.389 176.733 176.300 0.074 0.000 1.110 541 M CA -0.168 55.155 55.300 0.040 0.000 1.173 541 M CB 0.310 32.892 32.600 -0.030 0.000 1.458 541 M HN 0.589 nan 8.290 nan 0.000 0.458 542 E N 2.980 123.195 120.200 0.026 0.000 2.608 542 E HA -0.024 4.327 4.350 0.001 0.000 0.259 542 E C -2.135 174.485 176.600 0.033 0.000 0.951 542 E CA -1.145 55.267 56.400 0.020 0.000 0.945 542 E CB 0.352 30.039 29.700 -0.022 0.000 0.916 542 E HN 0.195 nan 8.360 nan 0.000 0.477 543 P HA 0.022 nan 4.420 nan 0.000 0.262 543 P C 0.291 177.523 177.300 -0.114 0.000 1.199 543 P CA 1.047 64.185 63.100 0.064 0.000 0.763 543 P CB 0.672 32.390 31.700 0.029 0.000 0.790 544 G N 2.669 111.410 108.800 -0.098 0.000 2.234 544 G HA2 -0.305 3.656 3.960 0.001 0.000 0.235 544 G HA3 -0.305 3.656 3.960 0.001 0.000 0.235 544 G C 0.753 175.610 174.900 -0.070 0.000 0.997 544 G CA 0.101 45.104 45.100 -0.162 0.000 0.623 544 G HN 0.507 nan 8.290 nan 0.000 0.514 545 L N 1.175 122.371 121.223 -0.045 0.000 2.187 545 L HA 0.132 4.472 4.340 0.001 0.000 0.213 545 L C 2.858 179.718 176.870 -0.017 0.000 1.100 545 L CA 2.439 57.258 54.840 -0.035 0.000 0.765 545 L CB -0.362 41.667 42.059 -0.049 0.000 0.904 545 L HN 0.525 nan 8.230 nan 0.000 0.437 546 V N -0.092 119.816 119.914 -0.009 0.000 2.469 546 V HA -0.197 3.924 4.120 0.001 0.000 0.251 546 V C 1.491 177.522 176.094 -0.106 0.000 1.064 546 V CA 1.341 63.620 62.300 -0.035 0.000 1.066 546 V CB -0.267 31.579 31.823 0.038 0.000 0.667 546 V HN 0.482 nan 8.190 nan 0.000 0.461 547 L N 0.220 121.448 121.223 0.008 0.000 3.601 547 L HA -0.232 4.109 4.340 0.001 0.000 0.469 547 L C 0.255 177.289 176.870 0.274 0.000 1.294 547 L CA 0.908 55.816 54.840 0.113 0.000 0.829 547 L CB -2.526 39.624 42.059 0.151 0.000 1.628 547 L HN 0.581 nan 8.230 nan 0.000 0.868 548 H N -0.714 118.475 119.070 0.198 0.000 2.492 548 H HA 0.280 4.836 4.556 0.001 0.000 0.264 548 H C 0.470 175.953 175.328 0.258 0.000 1.150 548 H CA -1.129 55.079 56.048 0.267 0.000 0.962 548 H CB 0.747 30.712 29.762 0.340 0.000 1.766 548 H HN 0.204 nan 8.280 nan 0.000 0.589 549 L N 2.146 123.526 121.223 0.263 0.000 2.601 549 L HA 0.106 4.447 4.340 0.001 0.000 0.277 549 L C 0.659 177.672 176.870 0.238 0.000 1.219 549 L CA 0.881 55.828 54.840 0.179 0.000 0.915 549 L CB 0.200 42.336 42.059 0.128 0.000 1.160 549 L HN 0.328 nan 8.230 nan 0.000 0.494 550 G N 2.050 110.998 108.800 0.247 0.000 2.658 550 G HA2 0.542 4.502 3.960 0.001 0.000 0.292 550 G HA3 0.542 4.502 3.960 0.001 0.000 0.292 550 G C 0.346 175.357 174.900 0.185 0.000 1.320 550 G CA -0.258 45.011 45.100 0.280 0.000 0.933 550 G HN 1.270 nan 8.290 nan 0.000 0.476 551 G N -0.954 107.920 108.800 0.122 0.000 2.184 551 G HA2 -0.257 3.703 3.960 0.001 0.000 0.264 551 G HA3 -0.257 3.703 3.960 0.001 0.000 0.264 551 G C 1.377 176.341 174.900 0.106 0.000 0.975 551 G CA 1.574 46.750 45.100 0.125 0.000 0.642 551 G HN 1.863 nan 8.290 nan 0.000 0.536 552 T N -1.884 112.687 114.554 0.028 0.000 2.962 552 T HA 0.090 4.440 4.350 0.001 0.000 0.270 552 T C 1.121 175.902 174.700 0.136 0.000 1.088 552 T CA 1.926 64.081 62.100 0.092 0.000 1.127 552 T CB -0.301 68.627 68.868 0.100 0.000 0.883 552 T HN 1.506 nan 8.240 nan 0.000 0.493 553 H N -0.159 118.986 119.070 0.126 0.000 2.712 553 H HA 0.462 5.019 4.556 0.001 0.000 0.226 553 H C -0.102 175.270 175.328 0.074 0.000 1.422 553 H CA -1.372 54.724 56.048 0.081 0.000 1.270 553 H CB -0.371 29.403 29.762 0.020 0.000 1.891 553 H HN 0.356 nan 8.280 nan 0.000 0.518 554 R N 0.562 121.146 120.500 0.141 0.000 2.641 554 R HA 0.291 4.631 4.340 0.001 0.000 0.269 554 R C -0.310 176.052 176.300 0.103 0.000 1.074 554 R CA -0.678 55.479 56.100 0.095 0.000 1.133 554 R CB 0.950 31.299 30.300 0.081 0.000 1.029 554 R HN 0.465 nan 8.270 nan 0.000 0.488 555 M N 1.300 120.937 119.600 0.062 0.000 2.314 555 M HA 0.467 4.948 4.480 0.001 0.000 0.342 555 M C -0.501 175.799 176.300 -0.000 0.000 1.171 555 M CA 0.197 55.510 55.300 0.022 0.000 1.098 555 M CB 1.657 34.249 32.600 -0.013 0.000 1.559 555 M HN 0.951 nan 8.290 nan 0.000 0.459 556 G N 2.083 110.889 108.800 0.011 0.000 2.495 556 G HA2 0.379 4.339 3.960 0.001 0.000 0.294 556 G HA3 0.379 4.339 3.960 0.001 0.000 0.294 556 G C -0.925 173.984 174.900 0.013 0.000 1.397 556 G CA -0.699 44.355 45.100 -0.077 0.000 0.790 556 G HN 0.663 nan 8.290 nan 0.000 0.486 557 F N 0.007 120.056 119.950 0.165 0.000 2.234 557 F HA 0.254 4.781 4.527 0.001 0.000 0.296 557 F C 1.148 177.075 175.800 0.213 0.000 1.089 557 F CA 1.108 59.207 58.000 0.166 0.000 1.343 557 F CB 0.335 39.392 39.000 0.096 0.000 1.040 557 F HN 0.377 nan 8.300 nan 0.000 0.498 558 D N -0.936 119.634 120.400 0.284 0.000 2.629 558 D HA 0.132 4.773 4.640 0.001 0.000 0.250 558 D C 0.779 176.928 176.300 -0.250 0.000 1.126 558 D CA -0.239 53.774 54.000 0.021 0.000 0.852 558 D CB 1.322 42.144 40.800 0.036 0.000 1.335 558 D HN 0.087 nan 8.370 nan 0.000 0.518 559 E N 3.213 122.898 120.200 -0.859 0.000 2.065 559 E HA -0.302 4.049 4.350 0.001 0.000 0.201 559 E C 1.344 177.754 176.600 -0.316 0.000 1.016 559 E CA 1.347 57.201 56.400 -0.910 0.000 0.818 559 E CB 0.258 29.274 29.700 -1.140 0.000 0.749 559 E HN 0.417 nan 8.360 nan 0.000 0.453 560 K N 0.062 120.329 120.400 -0.222 0.000 2.044 560 K HA -0.122 4.198 4.320 0.001 0.000 0.204 560 K C 2.090 178.656 176.600 -0.057 0.000 1.049 560 K CA 1.258 57.486 56.287 -0.100 0.000 0.945 560 K CB 0.023 32.480 32.500 -0.071 0.000 0.724 560 K HN 0.122 nan 8.250 nan 0.000 0.440 561 E N 0.283 120.453 120.200 -0.050 0.000 2.106 561 E HA -0.130 4.220 4.350 0.001 0.000 0.192 561 E C 0.720 177.316 176.600 -0.007 0.000 0.984 561 E CA 1.012 57.406 56.400 -0.010 0.000 0.806 561 E CB 0.190 29.897 29.700 0.012 0.000 0.750 561 E HN 0.345 nan 8.360 nan 0.000 0.458 562 D N 0.114 120.503 120.400 -0.017 0.000 2.363 562 D HA 0.043 4.684 4.640 0.001 0.000 0.214 562 D C -0.642 175.591 176.300 -0.111 0.000 1.093 562 D CA -0.018 53.964 54.000 -0.029 0.000 0.837 562 D CB 0.087 40.907 40.800 0.033 0.000 0.948 562 D HN 0.073 nan 8.370 nan 0.000 0.507 563 N N 0.734 119.368 118.700 -0.111 0.000 2.642 563 N HA -0.191 4.550 4.740 0.001 0.000 0.269 563 N C -0.231 175.203 175.510 -0.126 0.000 1.073 563 N CA 0.606 53.572 53.050 -0.141 0.000 0.748 563 N CB -1.449 36.835 38.487 -0.338 0.000 0.894 563 N HN 0.418 nan 8.380 nan 0.000 0.548 564 C N -3.183 116.122 119.300 0.008 0.000 3.318 564 C HA 0.798 5.258 4.460 0.001 0.000 0.329 564 C C 1.286 176.462 174.990 0.310 0.000 1.449 564 C CA -0.595 58.506 59.018 0.139 0.000 1.397 564 C CB 1.589 29.431 27.740 0.170 0.000 1.810 564 C HN 0.519 nan 8.230 nan 0.000 0.449 565 C N 0.150 119.666 119.300 0.360 0.000 3.095 565 C HA 0.512 4.972 4.460 0.001 0.000 0.472 565 C C 0.585 175.677 174.990 0.170 0.000 1.348 565 C CA 0.645 59.863 59.018 0.333 0.000 2.206 565 C CB -0.215 27.640 27.740 0.191 0.000 3.088 565 C HN 0.976 nan 8.230 nan 0.000 0.599 566 V N 1.297 121.190 119.914 -0.036 0.000 2.962 566 V HA 0.730 4.850 4.120 0.001 0.000 0.313 566 V C -0.914 174.837 176.094 -0.572 0.000 1.099 566 V CA -0.623 61.404 62.300 -0.455 0.000 0.971 566 V CB 1.627 33.323 31.823 -0.211 0.000 1.028 566 V HN 0.410 nan 8.190 nan 0.000 0.430 567 N N 0.592 118.815 118.700 -0.794 0.000 2.476 567 N HA 0.308 5.049 4.740 0.001 0.000 0.287 567 N C 1.018 176.401 175.510 -0.213 0.000 1.262 567 N CA 0.141 52.945 53.050 -0.409 0.000 0.980 567 N CB 0.044 38.298 38.487 -0.388 0.000 1.163 567 N HN 0.910 nan 8.380 nan 0.000 0.592 568 T N -4.591 109.890 114.554 -0.123 0.000 3.098 568 T HA -0.019 4.332 4.350 0.001 0.000 0.266 568 T C 0.057 174.691 174.700 -0.110 0.000 1.145 568 T CA 0.717 62.745 62.100 -0.119 0.000 1.092 568 T CB -0.426 68.398 68.868 -0.073 0.000 0.908 568 T HN 0.468 nan 8.240 nan 0.000 0.526 569 D N 0.960 121.284 120.400 -0.128 0.000 2.340 569 D HA 0.198 4.838 4.640 0.001 0.000 0.217 569 D C 0.541 176.846 176.300 0.008 0.000 1.081 569 D CA 0.076 54.020 54.000 -0.094 0.000 0.842 569 D CB 0.150 40.787 40.800 -0.272 0.000 0.934 569 D HN 0.327 nan 8.370 nan 0.000 0.511 570 S N 0.220 115.892 115.700 -0.047 0.000 3.490 570 S HA -0.242 4.228 4.470 0.001 0.000 0.301 570 S C 0.546 175.132 174.600 -0.023 0.000 1.233 570 S CA 0.428 58.639 58.200 0.017 0.000 0.914 570 S CB -1.296 61.995 63.200 0.153 0.000 1.047 570 S HN 0.457 nan 8.310 nan 0.000 0.602 571 R N 1.170 121.525 120.500 -0.243 0.000 2.357 571 R HA 0.462 4.802 4.340 0.001 0.000 0.296 571 R C -0.007 175.976 176.300 -0.528 0.000 1.052 571 R CA -0.417 55.342 56.100 -0.567 0.000 0.988 571 R CB 0.695 30.611 30.300 -0.640 0.000 1.025 571 R HN 0.137 nan 8.270 nan 0.000 0.469 572 V N 6.155 125.797 119.914 -0.453 0.000 2.540 572 V HA -0.021 4.099 4.120 0.001 0.000 0.297 572 V C 0.174 176.198 176.094 -0.117 0.000 1.024 572 V CA 0.290 62.415 62.300 -0.292 0.000 1.105 572 V CB -0.216 31.429 31.823 -0.298 0.000 0.938 572 V HN 0.556 nan 8.190 nan 0.000 0.482 573 F N 4.009 123.994 119.950 0.059 0.000 2.623 573 F HA 0.373 4.900 4.527 0.001 0.000 0.383 573 F C 1.588 177.514 175.800 0.209 0.000 1.077 573 F CA 1.566 59.627 58.000 0.101 0.000 1.268 573 F CB -0.158 38.898 39.000 0.093 0.000 1.053 573 F HN 0.797 nan 8.300 nan 0.000 0.571 574 G N 2.206 111.191 108.800 0.309 0.000 2.268 574 G HA2 -0.299 3.661 3.960 0.001 0.000 0.240 574 G HA3 -0.299 3.661 3.960 0.001 0.000 0.240 574 G C -0.085 174.779 174.900 -0.060 0.000 1.010 574 G CA -0.467 44.713 45.100 0.133 0.000 0.618 574 G HN 0.439 nan 8.290 nan 0.000 0.516 575 F N 1.082 121.058 119.950 0.044 0.000 2.411 575 F HA 0.663 5.190 4.527 0.001 0.000 0.352 575 F C 1.237 177.023 175.800 -0.023 0.000 1.123 575 F CA -0.983 57.029 58.000 0.020 0.000 1.044 575 F CB 1.788 40.804 39.000 0.027 0.000 1.135 575 F HN -0.252 nan 8.300 nan 0.000 0.461 576 K N 1.734 122.221 120.400 0.144 0.000 2.211 576 K HA -0.060 4.260 4.320 0.001 0.000 0.203 576 K C 0.944 177.750 176.600 0.344 0.000 1.050 576 K CA 0.885 57.299 56.287 0.213 0.000 0.945 576 K CB -0.173 32.456 32.500 0.215 0.000 0.732 576 K HN 0.648 nan 8.250 nan 0.000 0.451 577 N N -0.179 118.692 118.700 0.284 0.000 2.305 577 N HA 0.040 4.781 4.740 0.001 0.000 0.248 577 N C -0.750 174.885 175.510 0.210 0.000 1.290 577 N CA -0.356 52.915 53.050 0.367 0.000 0.873 577 N CB -0.002 38.755 38.487 0.451 0.000 1.261 577 N HN -0.049 nan 8.380 nan 0.000 0.504 578 L N 0.600 121.716 121.223 -0.178 0.000 2.376 578 L HA 0.693 5.033 4.340 0.001 0.000 0.275 578 L C -1.830 174.684 176.870 -0.594 0.000 0.987 578 L CA -0.586 54.137 54.840 -0.194 0.000 0.828 578 L CB 0.920 42.864 42.059 -0.191 0.000 1.249 578 L HN -0.059 nan 8.230 nan 0.000 0.409 579 F N 4.712 124.589 119.950 -0.122 0.000 2.577 579 F HA 0.708 5.235 4.527 0.001 0.000 0.318 579 F C -0.564 175.086 175.800 -0.250 0.000 1.065 579 F CA -0.736 57.170 58.000 -0.156 0.000 0.929 579 F CB 1.877 40.819 39.000 -0.096 0.000 1.237 579 F HN 0.193 nan 8.300 nan 0.000 0.468 580 L N 1.442 122.625 121.223 -0.067 0.000 2.365 580 L HA 0.875 5.216 4.340 0.001 0.000 0.273 580 L C -0.066 176.806 176.870 0.002 0.000 1.000 580 L CA -0.807 53.918 54.840 -0.192 0.000 0.819 580 L CB 1.955 43.749 42.059 -0.442 0.000 1.284 580 L HN 0.778 nan 8.230 nan 0.000 0.418 581 G N 0.281 109.097 108.800 0.027 0.000 2.519 581 G HA2 0.810 4.771 3.960 0.001 0.000 0.307 581 G HA3 0.810 4.771 3.960 0.001 0.000 0.307 581 G C -0.493 174.530 174.900 0.205 0.000 1.266 581 G CA -0.312 44.918 45.100 0.217 0.000 0.970 581 G HN 0.976 nan 8.290 nan 0.000 0.481 582 G N -1.319 107.595 108.800 0.190 0.000 2.343 582 G HA2 0.055 4.016 3.960 0.001 0.000 0.465 582 G HA3 0.055 4.016 3.960 0.001 0.000 0.465 582 G C 0.825 175.783 174.900 0.097 0.000 1.282 582 G CA 0.048 45.234 45.100 0.143 0.000 0.996 582 G HN 1.186 nan 8.290 nan 0.000 0.521 583 C N 0.532 119.867 119.300 0.058 0.000 2.410 583 C HA 0.139 4.599 4.460 0.001 0.000 0.281 583 C C 3.081 178.060 174.990 -0.018 0.000 1.318 583 C CA 1.997 61.030 59.018 0.025 0.000 1.776 583 C CB -1.380 26.411 27.740 0.085 0.000 1.942 583 C HN 1.327 nan 8.230 nan 0.000 0.508 584 G N 1.023 109.726 108.800 -0.161 0.000 2.479 584 G HA2 -0.210 3.750 3.960 0.001 0.000 0.220 584 G HA3 -0.210 3.750 3.960 0.001 0.000 0.220 584 G C 1.407 175.955 174.900 -0.587 0.000 1.115 584 G CA 0.729 45.478 45.100 -0.585 0.000 0.757 584 G HN 0.564 nan 8.290 nan 0.000 0.560 585 N N 0.399 118.977 118.700 -0.203 0.000 2.331 585 N HA 0.007 4.748 4.740 0.001 0.000 0.180 585 N C 0.928 176.458 175.510 0.033 0.000 1.019 585 N CA 0.189 53.259 53.050 0.033 0.000 0.881 585 N CB 0.013 38.569 38.487 0.116 0.000 0.972 585 N HN 0.307 nan 8.380 nan 0.000 0.435 586 I N 3.132 123.722 120.570 0.034 0.000 2.505 586 I HA 0.018 4.188 4.170 0.001 0.000 0.287 586 I C -1.307 174.902 176.117 0.154 0.000 1.104 586 I CA -0.953 60.396 61.300 0.082 0.000 1.387 586 I CB 1.125 39.136 38.000 0.019 0.000 1.404 586 I HN -0.046 nan 8.210 nan 0.000 0.528 587 P HA 0.052 nan 4.420 nan 0.000 0.257 587 P C 0.322 177.712 177.300 0.150 0.000 1.241 587 P CA 0.213 63.384 63.100 0.119 0.000 0.816 587 P CB 0.133 31.861 31.700 0.046 0.000 1.150 588 T N -2.174 112.501 114.554 0.201 0.000 2.862 588 T HA 0.651 5.001 4.350 0.001 0.000 0.276 588 T C 0.280 175.110 174.700 0.215 0.000 0.974 588 T CA -0.836 61.369 62.100 0.175 0.000 0.966 588 T CB 0.939 69.888 68.868 0.135 0.000 1.072 588 T HN 0.059 nan 8.240 nan 0.000 0.538 589 A N 1.864 124.747 122.820 0.104 0.000 2.350 589 A HA 0.577 4.897 4.320 0.001 0.000 0.293 589 A C -0.570 176.983 177.584 -0.052 0.000 1.231 589 A CA -0.845 51.206 52.037 0.023 0.000 0.883 589 A CB -1.051 17.982 19.000 0.055 0.000 1.133 589 A HN 0.839 nan 8.150 nan 0.000 0.533 590 Y N -0.212 120.004 120.300 -0.140 0.000 2.499 590 Y HA 0.718 5.269 4.550 0.001 0.000 0.347 590 Y C 0.783 176.586 175.900 -0.162 0.000 0.987 590 Y CA -0.756 57.080 58.100 -0.441 0.000 1.044 590 Y CB 1.415 39.368 38.460 -0.846 0.000 1.245 590 Y HN 0.359 nan 8.280 nan 0.000 0.461 591 G N 0.771 109.542 108.800 -0.048 0.000 2.576 591 G HA2 0.361 4.321 3.960 0.001 0.000 0.210 591 G HA3 0.361 4.321 3.960 0.001 0.000 0.210 591 G C 0.469 175.507 174.900 0.230 0.000 1.143 591 G CA 0.194 45.466 45.100 0.287 0.000 0.819 591 G HN 0.953 nan 8.290 nan 0.000 0.534 592 A N 0.721 123.502 122.820 -0.064 0.000 2.346 592 A HA 0.470 4.791 4.320 0.001 0.000 0.252 592 A C -0.076 177.444 177.584 -0.106 0.000 1.089 592 A CA -0.485 51.397 52.037 -0.258 0.000 0.797 592 A CB 0.038 18.870 19.000 -0.281 0.000 1.047 592 A HN 0.374 nan 8.150 nan 0.000 0.494 593 N N 1.960 120.452 118.700 -0.347 0.000 2.468 593 N HA 0.239 4.979 4.740 0.001 0.000 0.265 593 N C -2.001 173.420 175.510 -0.148 0.000 1.199 593 N CA -0.841 51.987 53.050 -0.371 0.000 0.928 593 N CB 0.491 38.828 38.487 -0.251 0.000 1.059 593 N HN 0.429 nan 8.380 nan 0.000 0.467 594 P HA 0.005 nan 4.420 nan 0.000 0.245 594 P C 0.455 177.637 177.300 -0.196 0.000 1.203 594 P CA 0.570 63.544 63.100 -0.211 0.000 0.792 594 P CB 0.338 31.877 31.700 -0.269 0.000 0.997 595 T N 1.126 115.643 114.554 -0.062 0.000 2.720 595 T HA -0.152 4.198 4.350 0.001 0.000 0.268 595 T C 1.760 176.532 174.700 0.120 0.000 1.037 595 T CA 1.132 63.261 62.100 0.049 0.000 1.144 595 T CB -0.810 68.119 68.868 0.102 0.000 0.864 595 T HN 0.035 nan 8.240 nan 0.000 0.444 596 L N 0.931 122.240 121.223 0.143 0.000 2.083 596 L HA -0.072 4.269 4.340 0.001 0.000 0.209 596 L C 2.487 179.424 176.870 0.110 0.000 1.083 596 L CA 1.677 56.657 54.840 0.232 0.000 0.752 596 L CB -0.955 41.233 42.059 0.215 0.000 0.899 596 L HN 0.184 nan 8.230 nan 0.000 0.433 597 T N -0.428 114.059 114.554 -0.112 0.000 2.777 597 T HA -0.117 4.233 4.350 0.001 0.000 0.266 597 T C 1.914 176.530 174.700 -0.140 0.000 1.040 597 T CA 1.206 63.152 62.100 -0.257 0.000 1.141 597 T CB -0.452 67.848 68.868 -0.948 0.000 0.868 597 T HN 0.513 nan 8.240 nan 0.000 0.444 598 A N 1.532 124.275 122.820 -0.128 0.000 1.902 598 A HA -0.076 4.244 4.320 0.001 0.000 0.217 598 A C 2.310 179.862 177.584 -0.053 0.000 1.181 598 A CA 1.835 53.837 52.037 -0.058 0.000 0.623 598 A CB -0.729 18.258 19.000 -0.022 0.000 0.818 598 A HN 0.530 nan 8.150 nan 0.000 0.443 599 M N -0.280 119.293 119.600 -0.045 0.000 2.086 599 M HA -0.147 4.334 4.480 0.001 0.000 0.261 599 M C 2.165 178.371 176.300 -0.156 0.000 1.067 599 M CA 2.148 57.392 55.300 -0.092 0.000 1.116 599 M CB -0.183 32.365 32.600 -0.087 0.000 1.348 599 M HN 0.373 nan 8.290 nan 0.000 0.407 600 S N 1.273 116.879 115.700 -0.156 0.000 2.365 600 S HA -0.166 4.305 4.470 0.001 0.000 0.225 600 S C 1.765 176.164 174.600 -0.335 0.000 1.039 600 S CA 1.628 59.663 58.200 -0.275 0.000 1.033 600 S CB -0.657 62.336 63.200 -0.346 0.000 0.887 600 S HN 0.528 nan 8.310 nan 0.000 0.447 601 L N 1.048 122.119 121.223 -0.252 0.000 2.083 601 L HA -0.156 4.184 4.340 0.001 0.000 0.209 601 L C 2.794 179.534 176.870 -0.217 0.000 1.083 601 L CA 1.207 55.907 54.840 -0.234 0.000 0.752 601 L CB -0.756 41.240 42.059 -0.104 0.000 0.899 601 L HN 0.335 nan 8.230 nan 0.000 0.433 602 A N 0.351 123.039 122.820 -0.221 0.000 1.898 602 A HA -0.161 4.159 4.320 0.001 0.000 0.216 602 A C 2.224 179.492 177.584 -0.527 0.000 1.181 602 A CA 1.381 53.181 52.037 -0.395 0.000 0.620 602 A CB -0.603 18.182 19.000 -0.360 0.000 0.819 602 A HN 0.330 nan 8.150 nan 0.000 0.442 603 I N -0.399 119.951 120.570 -0.367 0.000 2.163 603 I HA -0.317 3.854 4.170 0.001 0.000 0.243 603 I C 2.552 178.501 176.117 -0.279 0.000 1.085 603 I CA 2.066 63.182 61.300 -0.306 0.000 1.347 603 I CB -0.247 37.590 38.000 -0.273 0.000 1.044 603 I HN 0.403 nan 8.210 nan 0.000 0.408 604 K N 0.553 120.787 120.400 -0.277 0.000 2.032 604 K HA -0.228 4.093 4.320 0.001 0.000 0.209 604 K C 2.344 178.856 176.600 -0.147 0.000 1.048 604 K CA 1.899 58.054 56.287 -0.219 0.000 0.927 604 K CB -0.205 32.132 32.500 -0.272 0.000 0.712 604 K HN 0.107 nan 8.250 nan 0.000 0.441 605 S N -0.067 115.533 115.700 -0.167 0.000 2.365 605 S HA -0.213 4.257 4.470 0.001 0.000 0.225 605 S C 2.046 176.549 174.600 -0.162 0.000 1.039 605 S CA 1.620 59.762 58.200 -0.097 0.000 1.033 605 S CB -0.600 62.575 63.200 -0.041 0.000 0.887 605 S HN 0.595 nan 8.310 nan 0.000 0.447 606 C N 1.356 120.468 119.300 -0.314 0.000 2.425 606 C HA -0.021 4.439 4.460 0.001 0.000 0.277 606 C C 2.487 177.384 174.990 -0.155 0.000 1.280 606 C CA 0.762 59.607 59.018 -0.288 0.000 1.744 606 C CB -1.516 26.014 27.740 -0.350 0.000 1.989 606 C HN 0.682 nan 8.230 nan 0.000 0.491 607 E N -0.524 119.612 120.200 -0.106 0.000 2.077 607 E HA -0.264 4.086 4.350 0.001 0.000 0.193 607 E C 1.858 178.469 176.600 0.017 0.000 0.989 607 E CA 1.563 57.936 56.400 -0.044 0.000 0.800 607 E CB -0.352 29.318 29.700 -0.050 0.000 0.746 607 E HN 0.830 nan 8.360 nan 0.000 0.452 608 Y N 1.186 121.455 120.300 -0.052 0.000 2.181 608 Y HA -0.223 4.327 4.550 0.001 0.000 0.288 608 Y C 1.975 177.909 175.900 0.056 0.000 1.146 608 Y CA 1.448 59.563 58.100 0.026 0.000 1.164 608 Y CB -0.074 38.444 38.460 0.096 0.000 0.982 608 Y HN -0.045 nan 8.280 nan 0.000 0.515 609 I N 0.229 120.826 120.570 0.046 0.000 2.252 609 I HA -0.309 3.861 4.170 0.001 0.000 0.245 609 I C 2.225 178.365 176.117 0.039 0.000 1.102 609 I CA 1.589 62.886 61.300 -0.005 0.000 1.385 609 I CB -0.329 37.467 38.000 -0.341 0.000 1.064 609 I HN 0.132 nan 8.210 nan 0.000 0.414 610 K N 0.252 120.642 120.400 -0.017 0.000 2.280 610 K HA -0.177 4.144 4.320 0.001 0.000 0.202 610 K C 1.804 178.440 176.600 0.059 0.000 1.047 610 K CA 1.035 57.377 56.287 0.092 0.000 0.942 610 K CB -0.044 32.489 32.500 0.054 0.000 0.739 610 K HN 0.437 nan 8.250 nan 0.000 0.457 611 Q N -0.458 119.309 119.800 -0.056 0.000 2.360 611 Q HA 0.100 4.440 4.340 0.001 0.000 0.202 611 Q C 0.701 176.583 176.000 -0.197 0.000 0.915 611 Q CA 0.306 56.040 55.803 -0.116 0.000 0.943 611 Q CB 0.584 29.236 28.738 -0.143 0.000 1.064 611 Q HN 0.246 nan 8.270 nan 0.000 0.511 612 N N -0.950 117.615 118.700 -0.225 0.000 2.082 612 N HA 0.157 4.897 4.740 0.001 0.000 0.228 612 N C -1.086 174.066 175.510 -0.595 0.000 1.341 612 N CA 0.232 53.010 53.050 -0.454 0.000 0.873 612 N CB 1.133 39.171 38.487 -0.749 0.000 1.137 612 N HN -0.010 nan 8.380 nan 0.000 0.505 613 F N 0.514 120.480 119.950 0.027 0.000 2.581 613 F HA 0.331 4.858 4.527 0.001 0.000 0.311 613 F C -0.006 175.908 175.800 0.190 0.000 1.113 613 F CA -0.616 57.462 58.000 0.130 0.000 0.935 613 F CB 1.931 41.032 39.000 0.167 0.000 1.232 613 F HN -0.373 nan 8.300 nan 0.000 0.445 614 T N 4.432 119.141 114.554 0.259 0.000 2.767 614 T HA 0.387 4.737 4.350 0.001 0.000 0.284 614 T C -2.547 172.142 174.700 -0.020 0.000 0.973 614 T CA -1.374 60.772 62.100 0.076 0.000 0.996 614 T CB 1.038 69.919 68.868 0.023 0.000 0.927 614 T HN 0.163 nan 8.240 nan 0.000 0.456 615 P HA 0.131 nan 4.420 nan 0.000 0.268 615 P C 0.093 177.286 177.300 -0.178 0.000 1.204 615 P CA -0.428 62.364 63.100 -0.513 0.000 0.768 615 P CB 0.334 31.529 31.700 -0.841 0.000 0.842 616 S N 3.615 119.264 115.700 -0.086 0.000 2.563 616 S HA 0.200 4.670 4.470 0.001 0.000 0.284 616 S C -2.176 172.393 174.600 -0.052 0.000 1.331 616 S CA -0.826 57.345 58.200 -0.048 0.000 1.047 616 S CB -0.995 62.183 63.200 -0.037 0.000 0.859 616 S HN 0.295 nan 8.310 nan 0.000 0.514 617 P HA 0.226 nan 4.420 nan 0.000 0.275 617 P C -0.549 176.771 177.300 0.033 0.000 1.228 617 P CA -0.634 62.473 63.100 0.012 0.000 0.786 617 P CB 0.147 31.856 31.700 0.014 0.000 0.927 618 F N 2.577 122.508 119.950 -0.032 0.000 2.495 618 F HA 0.102 4.629 4.527 0.001 0.000 0.370 618 F C 0.974 176.764 175.800 -0.017 0.000 1.117 618 F CA 1.122 59.109 58.000 -0.020 0.000 1.060 618 F CB -0.346 38.644 39.000 -0.017 0.000 1.065 618 F HN 0.174 nan 8.300 nan 0.000 0.571 619 T N 0.000 114.429 114.554 -0.208 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.038 62.100 -0.103 0.000 1.349 619 T CB 0.000 68.820 68.868 -0.080 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658