REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ign_1_C DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.296 176.300 -0.007 0.000 1.140 43 M CA 0.000 55.358 55.300 0.096 0.000 0.988 43 M CB 0.000 32.554 32.600 -0.077 0.000 1.302 44 D N 4.806 125.216 120.400 0.015 0.000 2.390 44 D HA 0.195 4.835 4.640 0.001 0.000 0.236 44 D C 1.109 177.318 176.300 -0.151 0.000 1.189 44 D CA 0.291 54.210 54.000 -0.134 0.000 0.887 44 D CB 0.807 41.414 40.800 -0.321 0.000 1.198 44 D HN 0.741 nan 8.370 nan 0.000 0.444 45 I N -2.470 118.000 120.570 -0.167 0.000 3.974 45 I HA 0.285 4.455 4.170 0.001 0.000 0.334 45 I C 0.215 176.263 176.117 -0.115 0.000 1.437 45 I CA -0.485 60.769 61.300 -0.076 0.000 1.113 45 I CB 0.164 38.157 38.000 -0.012 0.000 1.063 45 I HN -0.083 nan 8.210 nan 0.000 0.400 46 K N 1.354 121.536 120.400 -0.363 0.000 2.426 46 K HA 0.579 4.899 4.320 0.001 0.000 0.254 46 K C -1.920 174.302 176.600 -0.631 0.000 0.936 46 K CA -0.498 55.605 56.287 -0.305 0.000 0.801 46 K CB 1.200 33.601 32.500 -0.166 0.000 1.139 46 K HN 0.150 nan 8.250 nan 0.000 0.424 47 Y N 1.298 121.584 120.300 -0.024 0.000 2.576 47 Y HA 0.250 4.800 4.550 0.001 0.000 0.346 47 Y C 0.688 176.563 175.900 -0.042 0.000 1.018 47 Y CA -0.787 57.294 58.100 -0.032 0.000 1.050 47 Y CB 2.031 40.474 38.460 -0.028 0.000 1.280 47 Y HN 0.611 nan 8.280 nan 0.000 0.474 48 D N 0.329 120.816 120.400 0.145 0.000 2.097 48 D HA -0.007 4.634 4.640 0.001 0.000 0.197 48 D C -0.282 176.029 176.300 0.018 0.000 0.984 48 D CA 1.568 55.640 54.000 0.121 0.000 0.826 48 D CB 0.221 41.161 40.800 0.233 0.000 0.973 48 D HN 0.111 nan 8.370 nan 0.000 0.460 49 V N 1.136 121.053 119.914 0.006 0.000 2.577 49 V HA 0.334 4.454 4.120 0.001 0.000 0.303 49 V C -0.334 175.678 176.094 -0.136 0.000 1.042 49 V CA -1.023 61.187 62.300 -0.149 0.000 0.872 49 V CB 2.405 34.114 31.823 -0.190 0.000 0.998 49 V HN -0.007 nan 8.190 nan 0.000 0.423 50 V N 3.277 123.064 119.914 -0.212 0.000 2.459 50 V HA 0.729 4.849 4.120 0.001 0.000 0.295 50 V C -0.525 175.521 176.094 -0.080 0.000 1.029 50 V CA -0.558 61.678 62.300 -0.107 0.000 0.874 50 V CB 1.601 33.398 31.823 -0.042 0.000 0.985 50 V HN 0.681 nan 8.190 nan 0.000 0.438 51 I N 4.554 125.113 120.570 -0.019 0.000 2.389 51 I HA 0.440 4.610 4.170 0.001 0.000 0.288 51 I C -0.481 175.668 176.117 0.053 0.000 0.999 51 I CA -0.901 60.370 61.300 -0.048 0.000 1.129 51 I CB 2.177 40.143 38.000 -0.056 0.000 1.288 51 I HN 0.438 nan 8.210 nan 0.000 0.444 52 V N 5.825 125.746 119.914 0.013 0.000 2.368 52 V HA 0.723 4.844 4.120 0.001 0.000 0.266 52 V C 0.537 176.642 176.094 0.018 0.000 1.045 52 V CA -0.187 62.139 62.300 0.044 0.000 0.899 52 V CB 0.435 32.256 31.823 -0.005 0.000 1.006 52 V HN 1.068 nan 8.190 nan 0.000 0.470 53 G N 4.121 112.950 108.800 0.047 0.000 2.911 53 G HA2 -0.045 3.916 3.960 0.001 0.000 0.686 53 G HA3 -0.045 3.916 3.960 0.001 0.000 0.686 53 G C -0.002 174.924 174.900 0.042 0.000 1.136 53 G CA -0.236 44.884 45.100 0.034 0.000 0.764 53 G HN 1.342 nan 8.290 nan 0.000 0.626 54 S N 1.074 116.802 115.700 0.046 0.000 2.601 54 S HA 0.603 5.073 4.470 0.001 0.000 0.244 54 S C 1.326 175.951 174.600 0.041 0.000 1.001 54 S CA 0.745 58.981 58.200 0.060 0.000 0.984 54 S CB 0.591 63.835 63.200 0.073 0.000 0.842 54 S HN 1.973 nan 8.310 nan 0.000 0.474 55 G N 2.760 111.575 108.800 0.025 0.000 2.631 55 G HA2 0.367 4.327 3.960 0.001 0.000 0.271 55 G HA3 0.367 4.327 3.960 0.001 0.000 0.271 55 G C -1.121 173.776 174.900 -0.005 0.000 1.302 55 G CA -1.169 43.932 45.100 0.001 0.000 1.002 55 G HN 0.256 nan 8.290 nan 0.000 0.519 56 P HA -0.049 nan 4.420 nan 0.000 0.223 56 P C 1.623 178.890 177.300 -0.056 0.000 1.151 56 P CA 0.660 63.734 63.100 -0.042 0.000 0.787 56 P CB 0.228 31.927 31.700 -0.000 0.000 0.788 57 I N 0.327 120.894 120.570 -0.005 0.000 2.296 57 I HA -0.013 4.157 4.170 0.001 0.000 0.242 57 I C 2.756 178.941 176.117 0.115 0.000 1.087 57 I CA 1.398 62.722 61.300 0.039 0.000 1.393 57 I CB -2.277 35.770 38.000 0.079 0.000 1.093 57 I HN -0.007 nan 8.210 nan 0.000 0.421 58 G N 0.572 109.425 108.800 0.088 0.000 2.513 58 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 58 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 58 G C 1.774 176.690 174.900 0.027 0.000 1.160 58 G CA 1.341 46.482 45.100 0.069 0.000 0.767 58 G HN 0.427 nan 8.290 nan 0.000 0.571 59 C N 0.414 119.706 119.300 -0.014 0.000 2.432 59 C HA 0.045 4.505 4.460 0.001 0.000 0.280 59 C C 3.182 178.057 174.990 -0.191 0.000 1.353 59 C CA 1.370 60.340 59.018 -0.081 0.000 1.766 59 C CB -1.008 26.733 27.740 0.002 0.000 1.924 59 C HN 0.470 nan 8.230 nan 0.000 0.509 60 T N -0.162 114.303 114.554 -0.150 0.000 2.770 60 T HA -0.119 4.232 4.350 0.001 0.000 0.263 60 T C 1.471 176.009 174.700 -0.270 0.000 1.039 60 T CA 1.425 63.402 62.100 -0.205 0.000 1.142 60 T CB -0.380 68.386 68.868 -0.171 0.000 0.868 60 T HN 0.537 nan 8.240 nan 0.000 0.435 61 Y N 1.623 121.792 120.300 -0.218 0.000 2.128 61 Y HA -0.095 4.455 4.550 0.001 0.000 0.284 61 Y C 2.756 178.443 175.900 -0.355 0.000 1.154 61 Y CA 1.073 59.020 58.100 -0.255 0.000 1.149 61 Y CB -0.668 37.662 38.460 -0.218 0.000 0.976 61 Y HN 0.199 nan 8.280 nan 0.000 0.505 62 A N -0.048 122.588 122.820 -0.306 0.000 1.898 62 A HA -0.199 4.122 4.320 0.001 0.000 0.216 62 A C 2.294 179.267 177.584 -1.020 0.000 1.181 62 A CA 1.655 53.273 52.037 -0.700 0.000 0.620 62 A CB -0.688 17.743 19.000 -0.949 0.000 0.819 62 A HN 0.417 nan 8.150 nan 0.000 0.442 63 R N -0.363 119.609 120.500 -0.881 0.000 2.073 63 R HA -0.153 4.187 4.340 0.001 0.000 0.234 63 R C 2.026 178.091 176.300 -0.391 0.000 1.134 63 R CA 1.702 57.423 56.100 -0.632 0.000 0.952 63 R CB -0.238 29.741 30.300 -0.534 0.000 0.850 63 R HN 0.549 nan 8.270 nan 0.000 0.433 64 E N 0.518 120.527 120.200 -0.318 0.000 2.031 64 E HA -0.186 4.164 4.350 0.001 0.000 0.193 64 E C 2.151 178.666 176.600 -0.142 0.000 0.994 64 E CA 1.301 57.590 56.400 -0.185 0.000 0.800 64 E CB -0.142 29.442 29.700 -0.192 0.000 0.752 64 E HN 0.411 nan 8.360 nan 0.000 0.447 65 L N 0.414 121.522 121.223 -0.191 0.000 2.162 65 L HA -0.071 4.270 4.340 0.001 0.000 0.205 65 L C 2.594 179.484 176.870 0.034 0.000 1.086 65 L CA 0.323 55.089 54.840 -0.123 0.000 0.778 65 L CB -0.388 41.494 42.059 -0.294 0.000 0.928 65 L HN -0.051 nan 8.230 nan 0.000 0.446 66 V N 0.691 120.542 119.914 -0.104 0.000 2.332 66 V HA -0.233 3.888 4.120 0.001 0.000 0.248 66 V C 2.593 178.708 176.094 0.034 0.000 1.055 66 V CA 2.141 64.426 62.300 -0.024 0.000 1.038 66 V CB -1.254 30.480 31.823 -0.148 0.000 0.651 66 V HN 0.580 nan 8.190 nan 0.000 0.450 67 G N -0.759 108.031 108.800 -0.016 0.000 2.448 67 G HA2 -0.053 3.907 3.960 0.001 0.000 0.218 67 G HA3 -0.053 3.907 3.960 0.001 0.000 0.218 67 G C 1.477 176.405 174.900 0.048 0.000 1.135 67 G CA 0.732 45.842 45.100 0.017 0.000 0.784 67 G HN 0.629 nan 8.290 nan 0.000 0.543 68 A N -0.384 122.488 122.820 0.088 0.000 2.238 68 A HA 0.480 4.800 4.320 0.001 0.000 0.208 68 A C 1.939 179.565 177.584 0.070 0.000 1.177 68 A CA 1.243 53.357 52.037 0.128 0.000 0.804 68 A CB -0.392 18.767 19.000 0.265 0.000 0.823 68 A HN 1.501 nan 8.150 nan 0.000 0.482 69 G N -2.384 106.460 108.800 0.072 0.000 2.157 69 G HA2 -0.263 3.698 3.960 0.001 0.000 0.239 69 G HA3 -0.263 3.698 3.960 0.001 0.000 0.239 69 G C -0.042 174.822 174.900 -0.060 0.000 0.982 69 G CA 0.125 45.223 45.100 -0.003 0.000 0.650 69 G HN 0.399 nan 8.290 nan 0.000 0.527 70 Y N 0.529 120.833 120.300 0.006 0.000 2.336 70 Y HA 0.460 5.011 4.550 0.001 0.000 0.331 70 Y C 1.110 177.013 175.900 0.005 0.000 1.211 70 Y CA -0.124 57.976 58.100 -0.000 0.000 1.346 70 Y CB 0.741 39.191 38.460 -0.017 0.000 1.271 70 Y HN 0.043 nan 8.280 nan 0.000 0.538 71 K N 2.751 123.239 120.400 0.148 0.000 2.292 71 K HA 0.390 4.710 4.320 0.001 0.000 0.290 71 K C -1.557 175.158 176.600 0.192 0.000 1.083 71 K CA -0.124 56.232 56.287 0.115 0.000 0.918 71 K CB 0.037 32.569 32.500 0.053 0.000 1.089 71 K HN 0.487 nan 8.250 nan 0.000 0.473 72 V N 3.293 123.305 119.914 0.162 0.000 2.495 72 V HA 0.531 4.651 4.120 0.001 0.000 0.298 72 V C -0.275 175.729 176.094 -0.150 0.000 1.031 72 V CA -0.957 61.389 62.300 0.077 0.000 0.871 72 V CB 1.444 33.364 31.823 0.162 0.000 0.988 72 V HN 0.865 nan 8.190 nan 0.000 0.432 73 A N 5.906 128.462 122.820 -0.440 0.000 2.337 73 A HA 0.934 5.255 4.320 0.001 0.000 0.329 73 A C -0.596 176.685 177.584 -0.504 0.000 1.146 73 A CA -0.606 50.964 52.037 -0.779 0.000 0.800 73 A CB 1.470 19.653 19.000 -1.362 0.000 1.220 73 A HN 0.915 nan 8.150 nan 0.000 0.472 74 M N 2.545 121.770 119.600 -0.626 0.000 2.326 74 M HA 0.713 5.193 4.480 0.001 0.000 0.306 74 M C -2.196 173.803 176.300 -0.502 0.000 1.054 74 M CA -0.415 54.703 55.300 -0.303 0.000 0.922 74 M CB 1.141 33.752 32.600 0.019 0.000 1.632 74 M HN 0.596 nan 8.290 nan 0.000 0.436 75 F N 2.457 122.401 119.950 -0.009 0.000 2.495 75 F HA 0.542 5.069 4.527 0.001 0.000 0.327 75 F C -0.103 175.694 175.800 -0.006 0.000 1.103 75 F CA -0.484 57.523 58.000 0.011 0.000 0.949 75 F CB 1.440 40.415 39.000 -0.041 0.000 1.142 75 F HN 0.460 nan 8.300 nan 0.000 0.457 76 D N 2.921 123.402 120.400 0.134 0.000 2.780 76 D HA 0.240 4.880 4.640 0.001 0.000 0.242 76 D C 0.528 176.850 176.300 0.036 0.000 1.135 76 D CA -0.340 53.697 54.000 0.062 0.000 0.859 76 D CB 2.459 43.281 40.800 0.036 0.000 1.530 76 D HN 0.638 nan 8.370 nan 0.000 0.493 77 I N 1.962 122.511 120.570 -0.035 0.000 2.614 77 I HA 0.026 4.196 4.170 0.001 0.000 0.258 77 I C 1.169 177.248 176.117 -0.063 0.000 1.189 77 I CA 0.714 61.953 61.300 -0.102 0.000 1.462 77 I CB 0.169 37.998 38.000 -0.285 0.000 1.092 77 I HN 0.332 nan 8.210 nan 0.000 0.442 78 G N -0.001 108.778 108.800 -0.035 0.000 2.543 78 G HA2 0.381 4.342 3.960 0.001 0.000 0.290 78 G HA3 0.381 4.342 3.960 0.001 0.000 0.290 78 G C -0.796 174.117 174.900 0.023 0.000 1.310 78 G CA -0.409 44.694 45.100 0.004 0.000 1.025 78 G HN 0.308 nan 8.290 nan 0.000 0.502 79 E N -1.398 118.820 120.200 0.030 0.000 2.339 79 E HA 0.376 4.726 4.350 0.001 0.000 0.262 79 E C -0.487 176.130 176.600 0.030 0.000 0.934 79 E CA -0.783 55.636 56.400 0.031 0.000 0.802 79 E CB 2.503 32.224 29.700 0.035 0.000 1.275 79 E HN 0.268 nan 8.360 nan 0.000 0.427 80 I N 2.423 123.008 120.570 0.026 0.000 2.533 80 I HA 0.025 4.195 4.170 0.001 0.000 0.284 80 I C -0.313 175.827 176.117 0.037 0.000 1.109 80 I CA 0.592 61.909 61.300 0.028 0.000 1.412 80 I CB 0.162 38.173 38.000 0.018 0.000 1.396 80 I HN 0.563 nan 8.210 nan 0.000 0.543 81 D N 2.468 122.896 120.400 0.047 0.000 3.868 81 D HA 0.013 4.653 4.640 0.001 0.000 0.283 81 D C -0.357 175.992 176.300 0.081 0.000 1.439 81 D CA -0.356 53.679 54.000 0.059 0.000 0.760 81 D CB -0.364 40.469 40.800 0.055 0.000 1.335 81 D HN 0.229 nan 8.370 nan 0.000 0.737 82 S N 0.098 115.850 115.700 0.086 0.000 2.711 82 S HA 0.644 5.114 4.470 0.001 0.000 0.247 82 S C 1.020 175.686 174.600 0.110 0.000 1.079 82 S CA -0.076 58.194 58.200 0.116 0.000 1.050 82 S CB 0.842 64.115 63.200 0.120 0.000 0.885 82 S HN 0.887 nan 8.310 nan 0.000 0.498 83 G N 1.858 110.712 108.800 0.089 0.000 2.525 83 G HA2 -0.263 3.698 3.960 0.001 0.000 0.248 83 G HA3 -0.263 3.698 3.960 0.001 0.000 0.248 83 G C 0.443 175.375 174.900 0.055 0.000 1.238 83 G CA -0.016 45.129 45.100 0.075 0.000 0.926 83 G HN 0.350 nan 8.290 nan 0.000 0.574 84 L N 0.458 121.710 121.223 0.048 0.000 2.156 84 L HA 0.102 4.443 4.340 0.001 0.000 0.208 84 L C 1.513 178.396 176.870 0.022 0.000 1.095 84 L CA 1.094 55.950 54.840 0.028 0.000 0.770 84 L CB -0.308 41.764 42.059 0.021 0.000 0.914 84 L HN 0.335 nan 8.230 nan 0.000 0.439 85 K N 1.645 122.069 120.400 0.039 0.000 2.273 85 K HA 0.298 4.618 4.320 0.001 0.000 0.287 85 K C -0.377 176.246 176.600 0.039 0.000 1.089 85 K CA -0.180 56.127 56.287 0.034 0.000 0.909 85 K CB 0.685 33.221 32.500 0.060 0.000 1.123 85 K HN 0.095 nan 8.250 nan 0.000 0.473 86 I N 2.022 122.598 120.570 0.010 0.000 2.598 86 I HA -0.027 4.143 4.170 0.001 0.000 0.284 86 I C 1.340 177.475 176.117 0.030 0.000 1.140 86 I CA 0.565 61.875 61.300 0.016 0.000 1.420 86 I CB 0.453 38.452 38.000 -0.002 0.000 1.387 86 I HN 0.924 nan 8.210 nan 0.000 0.553 87 G N 4.392 113.222 108.800 0.050 0.000 2.198 87 G HA2 -0.206 3.754 3.960 0.001 0.000 0.260 87 G HA3 -0.206 3.754 3.960 0.001 0.000 0.260 87 G C 0.325 175.279 174.900 0.091 0.000 1.025 87 G CA 0.162 45.298 45.100 0.061 0.000 0.769 87 G HN 0.968 nan 8.290 nan 0.000 0.507 88 A N -0.571 122.317 122.820 0.114 0.000 2.259 88 A HA 0.638 4.958 4.320 0.001 0.000 0.278 88 A C 0.579 178.293 177.584 0.216 0.000 1.107 88 A CA -0.368 51.774 52.037 0.174 0.000 0.828 88 A CB 0.328 19.432 19.000 0.174 0.000 1.111 88 A HN 0.613 nan 8.150 nan 0.000 0.498 89 H N 0.362 119.573 119.070 0.235 0.000 2.848 89 H HA 0.128 4.684 4.556 0.001 0.000 0.317 89 H C 0.668 176.128 175.328 0.219 0.000 1.046 89 H CA 0.629 56.830 56.048 0.255 0.000 1.470 89 H CB 0.858 30.790 29.762 0.284 0.000 1.483 89 H HN 0.664 nan 8.280 nan 0.000 0.548 90 K N 3.310 123.920 120.400 0.349 0.000 2.439 90 K HA -0.094 4.227 4.320 0.001 0.000 0.197 90 K C 1.656 178.521 176.600 0.441 0.000 1.041 90 K CA 0.801 57.345 56.287 0.428 0.000 0.970 90 K CB 0.295 33.052 32.500 0.429 0.000 0.773 90 K HN 0.539 nan 8.250 nan 0.000 0.479 91 K N 0.082 120.605 120.400 0.205 0.000 2.487 91 K HA 0.035 4.355 4.320 0.001 0.000 0.192 91 K C 0.427 177.044 176.600 0.028 0.000 1.027 91 K CA 0.522 56.620 56.287 -0.315 0.000 1.054 91 K CB 0.212 31.904 32.500 -1.348 0.000 0.824 91 K HN -0.113 nan 8.250 nan 0.000 0.510 92 N N 2.368 121.184 118.700 0.193 0.000 2.410 92 N HA -0.010 4.731 4.740 0.001 0.000 0.231 92 N C -0.607 175.107 175.510 0.340 0.000 1.172 92 N CA 0.386 53.556 53.050 0.201 0.000 0.849 92 N CB 0.680 39.346 38.487 0.298 0.000 1.116 92 N HN 0.444 nan 8.380 nan 0.000 0.485 93 T N -4.060 110.683 114.554 0.315 0.000 2.929 93 T HA 0.318 4.668 4.350 0.001 0.000 0.284 93 T C 1.600 176.468 174.700 0.280 0.000 1.014 93 T CA -0.762 61.516 62.100 0.297 0.000 1.051 93 T CB 1.669 70.678 68.868 0.235 0.000 1.028 93 T HN -0.197 nan 8.240 nan 0.000 0.485 94 V N 1.492 121.561 119.914 0.259 0.000 2.392 94 V HA -0.131 3.989 4.120 0.001 0.000 0.249 94 V C 2.876 179.035 176.094 0.108 0.000 1.059 94 V CA 1.770 64.204 62.300 0.223 0.000 1.051 94 V CB -0.820 31.091 31.823 0.147 0.000 0.658 94 V HN 0.880 nan 8.190 nan 0.000 0.455 95 E N -0.418 119.791 120.200 0.015 0.000 2.058 95 E HA -0.213 4.137 4.350 0.001 0.000 0.194 95 E C 2.132 178.671 176.600 -0.102 0.000 0.997 95 E CA 1.662 57.997 56.400 -0.107 0.000 0.801 95 E CB -0.305 29.230 29.700 -0.275 0.000 0.746 95 E HN 0.741 nan 8.360 nan 0.000 0.450 96 Y N 1.064 121.430 120.300 0.110 0.000 2.457 96 Y HA -0.042 4.508 4.550 0.001 0.000 0.292 96 Y C 2.404 178.322 175.900 0.030 0.000 1.125 96 Y CA 0.627 58.783 58.100 0.093 0.000 1.254 96 Y CB -0.068 38.458 38.460 0.111 0.000 1.012 96 Y HN 0.029 nan 8.280 nan 0.000 0.555 97 Q N 0.229 120.112 119.800 0.138 0.000 2.230 97 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 97 Q C 1.657 177.706 176.000 0.083 0.000 0.963 97 Q CA 0.998 56.829 55.803 0.048 0.000 0.866 97 Q CB -0.054 28.660 28.738 -0.039 0.000 0.931 97 Q HN 0.494 nan 8.270 nan 0.000 0.452 98 K N 0.316 120.772 120.400 0.093 0.000 2.314 98 K HA 0.063 4.384 4.320 0.001 0.000 0.198 98 K C 0.271 176.920 176.600 0.082 0.000 1.045 98 K CA 0.347 56.679 56.287 0.075 0.000 0.988 98 K CB 0.475 33.008 32.500 0.055 0.000 0.783 98 K HN 0.087 nan 8.250 nan 0.000 0.484 99 N N 1.145 119.916 118.700 0.118 0.000 2.697 99 N HA 0.036 4.777 4.740 0.001 0.000 0.253 99 N C 0.137 175.784 175.510 0.229 0.000 1.604 99 N CA -0.002 53.135 53.050 0.144 0.000 0.772 99 N CB 1.064 39.624 38.487 0.121 0.000 1.267 99 N HN -0.012 nan 8.380 nan 0.000 0.510 100 I N 0.748 121.432 120.570 0.189 0.000 2.335 100 I HA -0.209 3.961 4.170 0.001 0.000 0.251 100 I C 0.897 177.143 176.117 0.215 0.000 1.129 100 I CA 1.661 63.071 61.300 0.185 0.000 1.402 100 I CB 0.168 38.226 38.000 0.097 0.000 1.069 100 I HN 0.180 nan 8.210 nan 0.000 0.424 101 D N 0.873 121.398 120.400 0.210 0.000 2.218 101 D HA -0.156 4.485 4.640 0.001 0.000 0.204 101 D C 1.995 178.401 176.300 0.177 0.000 0.976 101 D CA 0.627 54.748 54.000 0.202 0.000 0.853 101 D CB -0.079 40.871 40.800 0.250 0.000 0.939 101 D HN 0.282 nan 8.370 nan 0.000 0.481 102 K N 0.149 120.692 120.400 0.238 0.000 2.280 102 K HA -0.110 4.210 4.320 0.001 0.000 0.202 102 K C 1.782 178.514 176.600 0.220 0.000 1.047 102 K CA 0.090 56.531 56.287 0.257 0.000 0.942 102 K CB -0.469 32.248 32.500 0.362 0.000 0.739 102 K HN 0.228 nan 8.250 nan 0.000 0.457 103 F N 1.776 121.720 119.950 -0.010 0.000 2.333 103 F HA -0.186 4.341 4.527 0.001 0.000 0.300 103 F C 1.914 177.604 175.800 -0.183 0.000 1.083 103 F CA 0.676 58.488 58.000 -0.313 0.000 1.395 103 F CB -0.189 38.579 39.000 -0.387 0.000 1.056 103 F HN -0.156 nan 8.300 nan 0.000 0.529 104 V N -1.418 118.430 119.914 -0.110 0.000 2.453 104 V HA -0.335 3.786 4.120 0.001 0.000 0.252 104 V C 1.835 177.782 176.094 -0.245 0.000 1.068 104 V CA 2.475 64.666 62.300 -0.181 0.000 1.070 104 V CB -1.427 30.301 31.823 -0.158 0.000 0.664 104 V HN 0.368 nan 8.190 nan 0.000 0.461 105 N N 0.828 119.407 118.700 -0.202 0.000 2.188 105 N HA -0.087 4.653 4.740 0.001 0.000 0.184 105 N C 1.679 177.038 175.510 -0.252 0.000 1.018 105 N CA 1.574 54.524 53.050 -0.166 0.000 0.858 105 N CB -0.413 38.037 38.487 -0.061 0.000 0.989 105 N HN 0.452 nan 8.380 nan 0.000 0.426 106 V N 1.247 120.879 119.914 -0.470 0.000 2.295 106 V HA -0.214 3.906 4.120 0.001 0.000 0.246 106 V C 2.029 177.834 176.094 -0.482 0.000 1.049 106 V CA 1.450 63.405 62.300 -0.576 0.000 1.024 106 V CB -0.547 30.578 31.823 -1.162 0.000 0.648 106 V HN 0.305 nan 8.190 nan 0.000 0.447 107 I N -0.278 119.962 120.570 -0.551 0.000 2.179 107 I HA -0.314 3.857 4.170 0.001 0.000 0.242 107 I C 2.717 178.728 176.117 -0.177 0.000 1.088 107 I CA 1.753 62.878 61.300 -0.292 0.000 1.357 107 I CB -0.441 37.429 38.000 -0.217 0.000 1.051 107 I HN 0.344 nan 8.210 nan 0.000 0.409 108 Q N 0.416 120.110 119.800 -0.175 0.000 2.119 108 Q HA -0.113 4.227 4.340 0.001 0.000 0.201 108 Q C 2.354 178.299 176.000 -0.090 0.000 0.972 108 Q CA 1.432 57.164 55.803 -0.118 0.000 0.847 108 Q CB -0.366 28.300 28.738 -0.119 0.000 0.903 108 Q HN 0.646 nan 8.270 nan 0.000 0.433 109 G N 1.387 110.125 108.800 -0.103 0.000 2.443 109 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 109 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 109 G C 1.301 176.174 174.900 -0.045 0.000 1.131 109 G CA 0.890 45.949 45.100 -0.067 0.000 0.775 109 G HN 0.470 nan 8.290 nan 0.000 0.547 110 Q N -0.630 119.135 119.800 -0.059 0.000 2.391 110 Q HA 0.293 4.634 4.340 0.001 0.000 0.211 110 Q C 0.783 176.782 176.000 -0.002 0.000 0.908 110 Q CA -0.193 55.596 55.803 -0.024 0.000 0.920 110 Q CB -0.094 28.627 28.738 -0.028 0.000 1.056 110 Q HN 0.298 nan 8.270 nan 0.000 0.523 111 L N 2.437 123.651 121.223 -0.015 0.000 2.360 111 L HA 0.275 4.616 4.340 0.001 0.000 0.276 111 L C -0.283 176.596 176.870 0.015 0.000 1.121 111 L CA -0.202 54.641 54.840 0.005 0.000 0.845 111 L CB 0.851 42.903 42.059 -0.011 0.000 1.143 111 L HN 0.230 nan 8.230 nan 0.000 0.452 112 M N 2.357 121.983 119.600 0.042 0.000 2.181 112 M HA 0.276 4.756 4.480 0.001 0.000 0.323 112 M C -0.138 176.194 176.300 0.053 0.000 1.004 112 M CA -0.522 54.809 55.300 0.052 0.000 0.941 112 M CB 1.528 34.181 32.600 0.088 0.000 1.579 112 M HN 0.388 nan 8.290 nan 0.000 0.427 113 S N 1.798 117.519 115.700 0.034 0.000 2.563 113 S HA 0.119 4.589 4.470 0.001 0.000 0.294 113 S C 1.656 176.286 174.600 0.050 0.000 1.279 113 S CA -0.452 57.767 58.200 0.032 0.000 1.069 113 S CB 0.763 63.971 63.200 0.013 0.000 0.828 113 S HN 0.529 nan 8.310 nan 0.000 0.497 114 V N 2.545 122.500 119.914 0.067 0.000 2.270 114 V HA -0.011 4.109 4.120 0.001 0.000 0.245 114 V C 1.235 177.336 176.094 0.011 0.000 1.043 114 V CA 1.562 63.896 62.300 0.057 0.000 1.014 114 V CB -0.017 31.880 31.823 0.122 0.000 0.645 114 V HN 0.814 nan 8.190 nan 0.000 0.447 115 S N -0.558 115.167 115.700 0.041 0.000 2.750 115 S HA 0.516 4.986 4.470 0.001 0.000 0.276 115 S C -1.175 173.427 174.600 0.004 0.000 1.165 115 S CA -0.496 57.695 58.200 -0.015 0.000 1.047 115 S CB 1.463 64.623 63.200 -0.065 0.000 1.056 115 S HN 0.006 nan 8.310 nan 0.000 0.481 116 V N 7.760 127.663 119.914 -0.018 0.000 2.357 116 V HA 0.559 4.679 4.120 0.001 0.000 0.284 116 V C -1.975 174.100 176.094 -0.033 0.000 1.018 116 V CA -1.814 60.473 62.300 -0.021 0.000 0.841 116 V CB 1.460 33.271 31.823 -0.020 0.000 0.991 116 V HN 0.719 nan 8.190 nan 0.000 0.437 117 P HA 0.155 nan 4.420 nan 0.000 0.272 117 P C -0.137 177.135 177.300 -0.046 0.000 1.240 117 P CA -0.123 62.954 63.100 -0.038 0.000 0.791 117 P CB 0.864 32.542 31.700 -0.037 0.000 0.978 118 V N 2.392 122.281 119.914 -0.042 0.000 2.617 118 V HA -0.052 4.069 4.120 0.001 0.000 0.304 118 V C 1.277 177.317 176.094 -0.090 0.000 1.040 118 V CA 0.263 62.534 62.300 -0.049 0.000 1.149 118 V CB -0.745 31.070 31.823 -0.014 0.000 0.914 118 V HN 0.625 nan 8.190 nan 0.000 0.487 119 N N 3.762 122.403 118.700 -0.098 0.000 2.458 119 N HA 0.094 4.835 4.740 0.001 0.000 0.270 119 N C 0.620 175.976 175.510 -0.256 0.000 1.102 119 N CA 0.366 53.337 53.050 -0.132 0.000 0.967 119 N CB 1.562 40.000 38.487 -0.082 0.000 1.078 119 N HN 0.858 nan 8.380 nan 0.000 0.471 120 T N 0.951 115.239 114.554 -0.442 0.000 3.228 120 T HA 0.272 4.622 4.350 0.001 0.000 0.278 120 T C 0.792 175.083 174.700 -0.682 0.000 1.014 120 T CA -0.431 61.028 62.100 -1.068 0.000 0.904 120 T CB -0.457 67.855 68.868 -0.927 0.000 1.110 120 T HN 0.282 nan 8.240 nan 0.000 0.541 121 L N 2.093 123.165 121.223 -0.252 0.000 2.455 121 L HA 0.367 4.707 4.340 0.001 0.000 0.272 121 L C 0.013 176.946 176.870 0.105 0.000 1.174 121 L CA -0.714 54.088 54.840 -0.064 0.000 0.869 121 L CB 0.883 42.922 42.059 -0.033 0.000 1.130 121 L HN 0.073 nan 8.230 nan 0.000 0.474 122 V N 4.777 124.764 119.914 0.122 0.000 2.406 122 V HA 0.183 4.303 4.120 0.001 0.000 0.272 122 V C 0.179 176.337 176.094 0.106 0.000 1.043 122 V CA -0.510 61.903 62.300 0.189 0.000 0.915 122 V CB 1.480 33.398 31.823 0.158 0.000 0.988 122 V HN 0.413 nan 8.190 nan 0.000 0.466 123 V N 5.363 125.338 119.914 0.102 0.000 2.311 123 V HA 0.346 4.466 4.120 0.001 0.000 0.275 123 V C 0.252 176.373 176.094 0.045 0.000 1.022 123 V CA -0.404 61.933 62.300 0.063 0.000 0.830 123 V CB 1.318 33.179 31.823 0.062 0.000 1.012 123 V HN 1.059 nan 8.190 nan 0.000 0.452 124 D N 2.113 122.533 120.400 0.034 0.000 2.538 124 D HA 0.009 4.649 4.640 0.001 0.000 0.231 124 D C 1.092 177.400 176.300 0.013 0.000 1.229 124 D CA 0.240 54.251 54.000 0.019 0.000 0.828 124 D CB 0.450 41.260 40.800 0.017 0.000 1.035 124 D HN 0.552 nan 8.370 nan 0.000 0.495 125 T N -1.871 112.693 114.554 0.018 0.000 3.228 125 T HA 0.331 4.682 4.350 0.001 0.000 0.278 125 T C 0.711 175.422 174.700 0.018 0.000 1.014 125 T CA -0.537 61.572 62.100 0.015 0.000 0.904 125 T CB -0.224 68.654 68.868 0.016 0.000 1.110 125 T HN 0.014 nan 8.240 nan 0.000 0.541 126 L N 1.986 123.220 121.223 0.019 0.000 2.467 126 L HA 0.309 4.650 4.340 0.001 0.000 0.270 126 L C 1.140 178.020 176.870 0.017 0.000 1.205 126 L CA -0.537 54.317 54.840 0.024 0.000 0.828 126 L CB 0.414 42.491 42.059 0.029 0.000 1.101 126 L HN 0.244 nan 8.230 nan 0.000 0.479 127 S N 1.857 117.570 115.700 0.022 0.000 2.558 127 S HA 0.084 4.554 4.470 0.001 0.000 0.288 127 S C -1.433 173.174 174.600 0.012 0.000 1.318 127 S CA -1.026 57.184 58.200 0.017 0.000 1.056 127 S CB 0.774 63.988 63.200 0.023 0.000 0.853 127 S HN 0.392 nan 8.310 nan 0.000 0.505 128 P HA -0.089 nan 4.420 nan 0.000 0.220 128 P C 1.333 178.634 177.300 0.001 0.000 1.144 128 P CA 1.369 64.465 63.100 -0.005 0.000 0.800 128 P CB -0.168 31.528 31.700 -0.006 0.000 0.772 129 T N -5.859 108.704 114.554 0.016 0.000 3.043 129 T HA 0.097 4.447 4.350 0.001 0.000 0.263 129 T C 1.044 175.776 174.700 0.053 0.000 1.094 129 T CA 0.078 62.196 62.100 0.029 0.000 1.127 129 T CB -0.575 68.312 68.868 0.031 0.000 0.905 129 T HN -0.104 nan 8.240 nan 0.000 0.490 130 S N 1.406 117.141 115.700 0.058 0.000 2.564 130 S HA 0.290 4.760 4.470 0.001 0.000 0.278 130 S C -0.552 174.128 174.600 0.133 0.000 1.333 130 S CA -0.967 57.295 58.200 0.103 0.000 1.048 130 S CB 0.149 63.404 63.200 0.092 0.000 0.900 130 S HN 0.586 nan 8.310 nan 0.000 0.505 131 W N 2.977 124.285 121.300 0.012 0.000 2.210 131 W HA 0.235 4.895 4.660 0.001 0.000 0.330 131 W C 0.168 176.701 176.519 0.022 0.000 1.334 131 W CA 0.384 57.736 57.345 0.011 0.000 1.227 131 W CB 0.378 29.845 29.460 0.011 0.000 1.178 131 W HN 0.409 nan 8.180 nan 0.000 0.560 132 Q N 3.212 122.645 119.800 -0.610 0.000 2.511 132 Q HA 0.552 4.892 4.340 0.001 0.000 0.289 132 Q C -0.905 174.511 176.000 -0.973 0.000 1.021 132 Q CA -0.832 54.657 55.803 -0.524 0.000 0.785 132 Q CB 1.944 30.561 28.738 -0.203 0.000 1.472 132 Q HN 0.585 nan 8.270 nan 0.000 0.411 133 A N 0.489 123.031 122.820 -0.464 0.000 2.322 133 A HA 0.463 4.784 4.320 0.001 0.000 0.269 133 A C 0.570 177.978 177.584 -0.293 0.000 1.094 133 A CA -0.032 51.816 52.037 -0.315 0.000 0.807 133 A CB 0.501 19.632 19.000 0.220 0.000 1.047 133 A HN 0.661 nan 8.150 nan 0.000 0.487 134 S N -0.501 115.053 115.700 -0.242 0.000 2.535 134 S HA 0.136 4.606 4.470 0.001 0.000 0.214 134 S C 0.729 175.219 174.600 -0.184 0.000 0.980 134 S CA 0.764 58.843 58.200 -0.203 0.000 0.907 134 S CB -0.135 62.967 63.200 -0.164 0.000 0.790 134 S HN 1.090 nan 8.310 nan 0.000 0.510 135 T N -1.433 113.047 114.554 -0.123 0.000 2.865 135 T HA 0.633 4.983 4.350 0.001 0.000 0.294 135 T C -0.883 173.769 174.700 -0.080 0.000 1.119 135 T CA -0.729 61.308 62.100 -0.106 0.000 1.007 135 T CB 0.733 69.639 68.868 0.064 0.000 1.225 135 T HN -0.086 nan 8.240 nan 0.000 0.515 136 F N 3.002 123.028 119.950 0.127 0.000 2.605 136 F HA 0.388 4.916 4.527 0.001 0.000 0.352 136 F C 0.410 176.254 175.800 0.074 0.000 1.236 136 F CA -1.794 56.239 58.000 0.055 0.000 1.267 136 F CB -0.921 38.086 39.000 0.012 0.000 1.632 136 F HN 0.569 nan 8.300 nan 0.000 0.639 137 F N -0.741 119.310 119.950 0.168 0.000 2.368 137 F HA 0.601 5.129 4.527 0.001 0.000 0.308 137 F C -0.082 175.790 175.800 0.120 0.000 1.198 137 F CA -1.572 56.504 58.000 0.127 0.000 1.130 137 F CB -0.074 38.992 39.000 0.109 0.000 1.300 137 F HN -0.179 nan 8.300 nan 0.000 0.537 138 V N 2.815 122.864 119.914 0.226 0.000 2.421 138 V HA 0.285 4.406 4.120 0.001 0.000 0.271 138 V C 0.098 176.204 176.094 0.021 0.000 1.031 138 V CA -0.053 62.297 62.300 0.084 0.000 1.032 138 V CB -0.638 31.261 31.823 0.126 0.000 1.009 138 V HN 0.706 nan 8.190 nan 0.000 0.477 139 R N 3.901 124.309 120.500 -0.154 0.000 2.744 139 R HA 0.470 4.810 4.340 0.001 0.000 0.279 139 R C 0.118 176.370 176.300 -0.080 0.000 0.977 139 R CA -0.910 55.072 56.100 -0.196 0.000 0.906 139 R CB 1.324 31.363 30.300 -0.435 0.000 1.197 139 R HN 0.684 nan 8.270 nan 0.000 0.463 140 N N 0.804 119.485 118.700 -0.033 0.000 2.735 140 N HA -0.190 4.550 4.740 0.001 0.000 0.248 140 N C 0.481 175.981 175.510 -0.016 0.000 1.083 140 N CA 1.547 54.583 53.050 -0.023 0.000 0.703 140 N CB -1.162 37.303 38.487 -0.036 0.000 1.005 140 N HN 1.087 nan 8.380 nan 0.000 0.550 141 G N -1.816 106.981 108.800 -0.006 0.000 2.162 141 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 141 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 141 G C 0.253 175.150 174.900 -0.006 0.000 0.976 141 G CA 0.914 46.013 45.100 -0.001 0.000 0.655 141 G HN 1.364 nan 8.290 nan 0.000 0.533 142 S N -0.487 115.202 115.700 -0.017 0.000 2.579 142 S HA 0.475 4.946 4.470 0.001 0.000 0.275 142 S C 0.124 174.714 174.600 -0.017 0.000 1.345 142 S CA 0.069 58.255 58.200 -0.024 0.000 1.031 142 S CB 1.789 64.966 63.200 -0.038 0.000 0.892 142 S HN 0.643 nan 8.310 nan 0.000 0.529 143 N N 2.344 121.026 118.700 -0.030 0.000 2.527 143 N HA 0.360 5.100 4.740 0.001 0.000 0.236 143 N C -1.699 173.793 175.510 -0.031 0.000 0.999 143 N CA -2.544 50.480 53.050 -0.043 0.000 0.935 143 N CB 1.235 39.668 38.487 -0.089 0.000 1.132 143 N HN 0.379 nan 8.380 nan 0.000 0.511 144 P HA -0.045 nan 4.420 nan 0.000 0.230 144 P C 0.321 177.638 177.300 0.029 0.000 1.158 144 P CA 0.803 63.916 63.100 0.023 0.000 0.769 144 P CB 0.590 32.320 31.700 0.051 0.000 0.807 145 E N -0.142 120.058 120.200 -0.000 0.000 2.285 145 E HA -0.092 4.258 4.350 0.001 0.000 0.194 145 E C 0.923 177.516 176.600 -0.012 0.000 0.997 145 E CA 0.557 56.969 56.400 0.022 0.000 0.845 145 E CB -0.134 29.498 29.700 -0.112 0.000 0.782 145 E HN 0.300 nan 8.360 nan 0.000 0.491 146 Q N 2.300 122.061 119.800 -0.066 0.000 2.307 146 Q HA 0.013 4.354 4.340 0.001 0.000 0.259 146 Q C -0.791 175.210 176.000 0.002 0.000 0.998 146 Q CA -0.130 55.636 55.803 -0.061 0.000 0.923 146 Q CB 0.680 29.371 28.738 -0.078 0.000 1.196 146 Q HN -0.186 nan 8.270 nan 0.000 0.416 147 D N 6.172 126.594 120.400 0.036 0.000 2.358 147 D HA 0.049 4.689 4.640 0.001 0.000 0.258 147 D C -1.700 174.613 176.300 0.021 0.000 1.223 147 D CA -1.858 52.166 54.000 0.040 0.000 0.886 147 D CB 1.256 42.095 40.800 0.064 0.000 1.120 147 D HN 0.439 nan 8.370 nan 0.000 0.482 148 P HA -0.075 nan 4.420 nan 0.000 0.226 148 P C 1.252 178.551 177.300 -0.003 0.000 1.153 148 P CA 0.618 63.712 63.100 -0.010 0.000 0.777 148 P CB 0.318 32.000 31.700 -0.029 0.000 0.794 149 L N -1.123 120.104 121.223 0.006 0.000 2.592 149 L HA 0.172 4.513 4.340 0.001 0.000 0.227 149 L C 1.593 178.476 176.870 0.021 0.000 1.127 149 L CA 0.249 55.095 54.840 0.009 0.000 0.884 149 L CB -0.220 41.842 42.059 0.004 0.000 1.065 149 L HN -0.169 nan 8.230 nan 0.000 0.457 150 R N -0.188 120.334 120.500 0.036 0.000 2.776 150 R HA 0.220 4.561 4.340 0.001 0.000 0.391 150 R C -0.372 175.981 176.300 0.089 0.000 1.116 150 R CA -0.265 55.870 56.100 0.059 0.000 1.056 150 R CB 0.250 30.590 30.300 0.065 0.000 1.369 150 R HN 0.063 nan 8.270 nan 0.000 0.590 151 N N 0.563 119.289 118.700 0.043 0.000 2.483 151 N HA 0.372 5.112 4.740 0.001 0.000 0.285 151 N C -0.681 174.725 175.510 -0.174 0.000 1.210 151 N CA -0.643 52.406 53.050 -0.001 0.000 0.931 151 N CB 1.219 39.705 38.487 -0.002 0.000 1.220 151 N HN 0.072 nan 8.380 nan 0.000 0.542 152 L N 2.012 122.952 121.223 -0.473 0.000 2.494 152 L HA 0.211 4.551 4.340 0.001 0.000 0.251 152 L C 1.477 178.128 176.870 -0.364 0.000 1.119 152 L CA -0.279 54.164 54.840 -0.662 0.000 1.026 152 L CB 0.353 41.632 42.059 -1.301 0.000 1.370 152 L HN 0.634 nan 8.230 nan 0.000 0.426 153 S N -0.205 115.390 115.700 -0.176 0.000 2.400 153 S HA -0.160 4.311 4.470 0.001 0.000 0.232 153 S C 1.851 176.401 174.600 -0.083 0.000 1.025 153 S CA 1.243 59.391 58.200 -0.087 0.000 0.993 153 S CB -0.305 62.862 63.200 -0.055 0.000 0.808 153 S HN 0.636 nan 8.310 nan 0.000 0.478 154 G N 0.590 109.325 108.800 -0.109 0.000 2.572 154 G HA2 0.051 4.011 3.960 0.001 0.000 0.216 154 G HA3 0.051 4.011 3.960 0.001 0.000 0.216 154 G C 0.619 175.471 174.900 -0.081 0.000 1.133 154 G CA -0.204 44.845 45.100 -0.084 0.000 0.791 154 G HN 0.390 nan 8.290 nan 0.000 0.538 155 Q N 0.651 120.376 119.800 -0.124 0.000 2.300 155 Q HA 0.481 4.821 4.340 0.001 0.000 0.280 155 Q C -0.098 175.913 176.000 0.017 0.000 1.033 155 Q CA 0.289 56.049 55.803 -0.070 0.000 0.903 155 Q CB 1.290 29.950 28.738 -0.129 0.000 1.195 155 Q HN 0.293 nan 8.270 nan 0.000 0.386 156 A N 2.174 125.011 122.820 0.028 0.000 2.594 156 A HA 0.742 5.063 4.320 0.001 0.000 0.291 156 A C -0.982 176.634 177.584 0.052 0.000 1.105 156 A CA -0.578 51.483 52.037 0.040 0.000 0.694 156 A CB 1.411 20.424 19.000 0.022 0.000 1.291 156 A HN 0.474 nan 8.150 nan 0.000 0.410 157 V N -1.862 118.093 119.914 0.069 0.000 2.864 157 V HA 0.927 5.048 4.120 0.001 0.000 0.314 157 V C -0.367 175.786 176.094 0.098 0.000 1.073 157 V CA -0.489 61.868 62.300 0.095 0.000 0.956 157 V CB 1.554 33.462 31.823 0.141 0.000 1.023 157 V HN 0.856 nan 8.190 nan 0.000 0.435 158 T N 3.117 117.726 114.554 0.092 0.000 2.797 158 T HA 0.608 4.958 4.350 0.001 0.000 0.279 158 T C -0.287 174.448 174.700 0.060 0.000 0.991 158 T CA -0.496 61.643 62.100 0.064 0.000 0.979 158 T CB 1.144 70.038 68.868 0.044 0.000 0.943 158 T HN 0.772 nan 8.240 nan 0.000 0.444 159 R N 2.422 122.946 120.500 0.041 0.000 2.402 159 R HA 0.588 4.928 4.340 0.001 0.000 0.290 159 R C -0.921 175.390 176.300 0.017 0.000 1.321 159 R CA -0.584 55.518 56.100 0.004 0.000 1.283 159 R CB 0.935 31.213 30.300 -0.036 0.000 1.111 159 R HN 0.519 nan 8.270 nan 0.000 0.578 160 V N -1.776 118.148 119.914 0.017 0.000 3.120 160 V HA 0.435 4.556 4.120 0.001 0.000 0.303 160 V C -0.141 175.967 176.094 0.023 0.000 1.238 160 V CA -1.119 61.195 62.300 0.023 0.000 1.008 160 V CB 2.001 33.840 31.823 0.027 0.000 1.064 160 V HN 0.130 nan 8.190 nan 0.000 0.434 161 V N 3.667 123.598 119.914 0.028 0.000 2.540 161 V HA 0.503 4.623 4.120 0.001 0.000 0.297 161 V C 1.716 177.831 176.094 0.035 0.000 1.024 161 V CA 1.975 64.294 62.300 0.033 0.000 1.105 161 V CB 0.041 31.884 31.823 0.034 0.000 0.938 161 V HN 2.114 nan 8.190 nan 0.000 0.482 162 G N 3.316 112.137 108.800 0.034 0.000 2.195 162 G HA2 0.015 3.975 3.960 0.001 0.000 0.224 162 G HA3 0.015 3.975 3.960 0.001 0.000 0.224 162 G C 0.975 175.874 174.900 -0.002 0.000 0.990 162 G CA 0.238 45.353 45.100 0.025 0.000 0.639 162 G HN 2.095 nan 8.290 nan 0.000 0.514 163 G N 0.153 108.956 108.800 0.006 0.000 2.582 163 G HA2 -0.263 3.697 3.960 0.001 0.000 0.288 163 G HA3 -0.263 3.697 3.960 0.001 0.000 0.288 163 G C 1.156 176.049 174.900 -0.012 0.000 1.247 163 G CA 1.223 46.325 45.100 0.003 0.000 0.972 163 G HN 1.114 nan 8.290 nan 0.000 0.557 164 M N 1.580 121.168 119.600 -0.020 0.000 2.557 164 M HA 0.024 4.504 4.480 0.001 0.000 0.259 164 M C 2.661 178.924 176.300 -0.062 0.000 1.086 164 M CA 1.638 56.934 55.300 -0.008 0.000 1.096 164 M CB -0.152 32.469 32.600 0.035 0.000 1.424 164 M HN 0.709 nan 8.290 nan 0.000 0.488 165 S N -0.464 115.109 115.700 -0.212 0.000 2.555 165 S HA -0.069 4.402 4.470 0.001 0.000 0.230 165 S C 1.718 176.266 174.600 -0.086 0.000 0.978 165 S CA 1.161 59.108 58.200 -0.422 0.000 0.934 165 S CB -0.912 62.006 63.200 -0.469 0.000 0.766 165 S HN 0.575 nan 8.310 nan 0.000 0.533 166 T N -2.454 112.051 114.554 -0.081 0.000 3.085 166 T HA 0.480 4.830 4.350 0.001 0.000 0.263 166 T C 1.262 175.787 174.700 -0.291 0.000 1.127 166 T CA 0.506 62.530 62.100 -0.128 0.000 1.103 166 T CB -0.007 68.855 68.868 -0.009 0.000 0.921 166 T HN 0.573 nan 8.240 nan 0.000 0.510 167 A N 0.091 122.843 122.820 -0.114 0.000 2.653 167 A HA 0.418 4.738 4.320 0.001 0.000 0.248 167 A C 0.629 178.442 177.584 0.381 0.000 1.211 167 A CA -0.729 51.404 52.037 0.160 0.000 0.991 167 A CB -0.095 18.968 19.000 0.105 0.000 1.252 167 A HN 0.638 nan 8.150 nan 0.000 0.593 168 W N 0.188 121.531 121.300 0.072 0.000 2.079 168 W HA 0.389 5.049 4.660 0.001 0.000 0.354 168 W C -0.020 176.594 176.519 0.158 0.000 1.302 168 W CA 0.678 58.106 57.345 0.137 0.000 1.281 168 W CB -0.737 28.779 29.460 0.094 0.000 1.165 168 W HN -0.039 nan 8.180 nan 0.000 0.603 169 T N 1.075 115.590 114.554 -0.064 0.000 3.113 169 T HA -0.007 4.344 4.350 0.001 0.000 0.256 169 T C 1.023 175.296 174.700 -0.712 0.000 1.131 169 T CA 1.092 62.984 62.100 -0.347 0.000 1.074 169 T CB -0.560 68.267 68.868 -0.069 0.000 0.944 169 T HN 0.668 nan 8.240 nan 0.000 0.516 170 C N 0.950 119.437 119.300 -1.355 0.000 4.465 170 C HA -0.108 4.352 4.460 0.001 0.000 0.274 170 C C 1.102 175.612 174.990 -0.799 0.000 1.337 170 C CA -0.673 57.307 59.018 -1.731 0.000 1.822 170 C CB -2.686 24.536 27.740 -0.862 0.000 1.357 170 C HN 0.764 nan 8.230 nan 0.000 0.753 171 A N 1.052 123.598 122.820 -0.457 0.000 2.354 171 A HA 0.599 4.919 4.320 0.001 0.000 0.281 171 A C 0.720 178.230 177.584 -0.123 0.000 1.174 171 A CA 0.989 52.920 52.037 -0.177 0.000 0.828 171 A CB 0.232 19.198 19.000 -0.057 0.000 1.099 171 A HN 1.354 nan 8.150 nan 0.000 0.516 172 T N 1.538 116.038 114.554 -0.090 0.000 3.410 172 T HA 0.518 4.868 4.350 0.001 0.000 0.328 172 T C -2.739 171.919 174.700 -0.069 0.000 1.567 172 T CA -1.504 60.575 62.100 -0.035 0.000 1.626 172 T CB 0.623 69.507 68.868 0.028 0.000 0.939 172 T HN 0.445 nan 8.240 nan 0.000 0.656 173 P HA 0.387 nan 4.420 nan 0.000 0.277 173 P C -0.212 176.947 177.300 -0.236 0.000 1.240 173 P CA -0.644 62.355 63.100 -0.169 0.000 0.798 173 P CB 1.183 32.742 31.700 -0.235 0.000 0.979 174 R N 1.014 121.290 120.500 -0.373 0.000 2.582 174 R HA 0.364 4.705 4.340 0.001 0.000 0.271 174 R C 0.078 176.259 176.300 -0.198 0.000 1.078 174 R CA -0.411 55.270 56.100 -0.699 0.000 1.127 174 R CB 0.157 29.899 30.300 -0.930 0.000 1.038 174 R HN 0.381 nan 8.270 nan 0.000 0.500 175 F N 2.139 121.860 119.950 -0.382 0.000 2.412 175 F HA 0.037 4.564 4.527 0.001 0.000 0.348 175 F C 0.979 176.592 175.800 -0.313 0.000 1.102 175 F CA -1.481 56.320 58.000 -0.332 0.000 1.196 175 F CB 0.219 39.018 39.000 -0.335 0.000 1.144 175 F HN 0.540 nan 8.300 nan 0.000 0.541 176 D N 2.662 122.984 120.400 -0.130 0.000 2.398 176 D HA 0.104 4.745 4.640 0.001 0.000 0.247 176 D C 1.100 177.310 176.300 -0.151 0.000 1.227 176 D CA -0.405 53.518 54.000 -0.128 0.000 0.980 176 D CB 0.576 41.313 40.800 -0.105 0.000 1.106 176 D HN 0.461 nan 8.370 nan 0.000 0.493 177 R N -0.221 120.217 120.500 -0.104 0.000 2.096 177 R HA -0.224 4.117 4.340 0.001 0.000 0.240 177 R C 2.064 178.307 176.300 -0.095 0.000 1.139 177 R CA 1.935 57.983 56.100 -0.086 0.000 0.952 177 R CB -0.407 29.875 30.300 -0.029 0.000 0.854 177 R HN 0.724 nan 8.270 nan 0.000 0.436 178 E N 0.911 121.051 120.200 -0.099 0.000 2.160 178 E HA -0.240 4.111 4.350 0.001 0.000 0.195 178 E C 1.530 178.020 176.600 -0.182 0.000 0.991 178 E CA 1.392 57.737 56.400 -0.092 0.000 0.810 178 E CB 0.150 29.832 29.700 -0.029 0.000 0.742 178 E HN 0.432 nan 8.360 nan 0.000 0.466 179 Q N -0.483 119.115 119.800 -0.336 0.000 2.356 179 Q HA 0.122 4.462 4.340 0.001 0.000 0.205 179 Q C 0.336 176.240 176.000 -0.161 0.000 0.901 179 Q CA -0.155 55.394 55.803 -0.424 0.000 0.938 179 Q CB 0.567 28.760 28.738 -0.909 0.000 1.081 179 Q HN -0.021 nan 8.270 nan 0.000 0.517 180 R N 2.186 122.627 120.500 -0.098 0.000 2.368 180 R HA 0.270 4.611 4.340 0.001 0.000 0.302 180 R C -2.510 173.761 176.300 -0.049 0.000 1.002 180 R CA -2.073 53.959 56.100 -0.113 0.000 0.929 180 R CB 0.853 30.905 30.300 -0.412 0.000 1.073 180 R HN -0.118 nan 8.270 nan 0.000 0.464 181 P HA 0.033 nan 4.420 nan 0.000 0.271 181 P C -0.549 176.917 177.300 0.277 0.000 1.218 181 P CA -0.084 63.104 63.100 0.146 0.000 0.780 181 P CB 0.651 32.453 31.700 0.170 0.000 0.901 182 L N 3.001 124.341 121.223 0.196 0.000 2.367 182 L HA 0.140 4.480 4.340 0.001 0.000 0.275 182 L C 1.650 178.646 176.870 0.209 0.000 1.129 182 L CA -0.131 54.885 54.840 0.294 0.000 0.839 182 L CB 0.312 42.583 42.059 0.354 0.000 1.133 182 L HN 0.384 nan 8.230 nan 0.000 0.453 183 L N 3.708 125.104 121.223 0.288 0.000 2.537 183 L HA 0.187 4.527 4.340 0.001 0.000 0.224 183 L C -0.133 176.916 176.870 0.298 0.000 1.065 183 L CA 0.243 55.146 54.840 0.104 0.000 0.860 183 L CB 0.669 42.580 42.059 -0.246 0.000 1.086 183 L HN 0.318 nan 8.230 nan 0.000 0.482 184 V N 1.623 121.716 119.914 0.298 0.000 2.407 184 V HA 0.209 4.330 4.120 0.001 0.000 0.291 184 V C -0.207 175.986 176.094 0.164 0.000 1.018 184 V CA -0.987 61.425 62.300 0.187 0.000 0.842 184 V CB 1.560 33.439 31.823 0.094 0.000 0.996 184 V HN 0.195 nan 8.190 nan 0.000 0.426 185 K N 2.528 122.891 120.400 -0.061 0.000 2.154 185 K HA 0.361 4.681 4.320 0.001 0.000 0.264 185 K C -0.204 176.355 176.600 -0.069 0.000 1.008 185 K CA -0.471 55.729 56.287 -0.145 0.000 0.937 185 K CB 0.655 32.803 32.500 -0.588 0.000 1.002 185 K HN 0.589 nan 8.250 nan 0.000 0.469 186 D N 0.687 121.074 120.400 -0.021 0.000 2.782 186 D HA -0.189 4.452 4.640 0.001 0.000 0.231 186 D C -0.786 175.520 176.300 0.009 0.000 1.163 186 D CA 1.512 55.509 54.000 -0.004 0.000 0.680 186 D CB -0.738 40.047 40.800 -0.026 0.000 1.062 186 D HN 0.755 nan 8.370 nan 0.000 0.425 187 D N -1.447 118.972 120.400 0.031 0.000 2.445 187 D HA 0.420 5.060 4.640 0.001 0.000 0.236 187 D C 0.847 177.183 176.300 0.060 0.000 1.315 187 D CA 0.103 54.125 54.000 0.037 0.000 0.924 187 D CB 0.546 41.361 40.800 0.025 0.000 1.447 187 D HN -0.025 nan 8.370 nan 0.000 0.532 188 A N 2.596 125.453 122.820 0.061 0.000 1.933 188 A HA -0.156 4.165 4.320 0.001 0.000 0.218 188 A C 1.600 179.232 177.584 0.080 0.000 1.175 188 A CA 1.393 53.475 52.037 0.076 0.000 0.628 188 A CB -0.029 19.008 19.000 0.061 0.000 0.814 188 A HN 0.544 nan 8.150 nan 0.000 0.444 189 D N -0.132 120.305 120.400 0.062 0.000 2.194 189 D HA 0.037 4.678 4.640 0.001 0.000 0.204 189 D C 2.165 178.504 176.300 0.064 0.000 0.964 189 D CA 1.200 55.236 54.000 0.059 0.000 0.846 189 D CB -0.136 40.689 40.800 0.043 0.000 0.962 189 D HN 0.471 nan 8.370 nan 0.000 0.490 190 A N 1.259 124.114 122.820 0.058 0.000 1.897 190 A HA -0.166 4.155 4.320 0.001 0.000 0.215 190 A C 1.927 179.555 177.584 0.072 0.000 1.181 190 A CA 1.609 53.677 52.037 0.051 0.000 0.620 190 A CB -0.449 18.573 19.000 0.037 0.000 0.821 190 A HN 0.088 nan 8.150 nan 0.000 0.443 191 D N 0.099 120.564 120.400 0.109 0.000 2.092 191 D HA -0.194 4.446 4.640 0.001 0.000 0.193 191 D C 1.264 177.719 176.300 0.259 0.000 0.994 191 D CA 1.774 55.885 54.000 0.185 0.000 0.828 191 D CB -0.122 40.813 40.800 0.224 0.000 0.963 191 D HN 0.353 nan 8.370 nan 0.000 0.450 192 D N -0.226 120.297 120.400 0.205 0.000 2.116 192 D HA -0.171 4.469 4.640 0.001 0.000 0.193 192 D C 1.987 178.398 176.300 0.186 0.000 0.998 192 D CA 1.578 55.700 54.000 0.204 0.000 0.836 192 D CB -0.637 40.239 40.800 0.126 0.000 0.951 192 D HN 0.352 nan 8.370 nan 0.000 0.449 193 A N 0.554 123.443 122.820 0.115 0.000 1.930 193 A HA -0.185 4.135 4.320 0.001 0.000 0.217 193 A C 2.137 179.749 177.584 0.046 0.000 1.175 193 A CA 1.863 53.945 52.037 0.075 0.000 0.627 193 A CB -0.483 18.544 19.000 0.045 0.000 0.815 193 A HN 0.188 nan 8.150 nan 0.000 0.443 194 E N -0.806 119.401 120.200 0.012 0.000 2.051 194 E HA -0.199 4.152 4.350 0.001 0.000 0.192 194 E C 1.687 178.198 176.600 -0.148 0.000 0.991 194 E CA 1.605 57.939 56.400 -0.109 0.000 0.799 194 E CB -0.463 29.122 29.700 -0.190 0.000 0.748 194 E HN 0.719 nan 8.360 nan 0.000 0.449 195 W N 0.749 122.010 121.300 -0.066 0.000 2.358 195 W HA -0.101 4.559 4.660 0.001 0.000 0.303 195 W C 2.212 178.718 176.519 -0.021 0.000 1.208 195 W CA 1.306 58.572 57.345 -0.132 0.000 1.274 195 W CB -0.480 28.943 29.460 -0.062 0.000 1.138 195 W HN 0.255 nan 8.180 nan 0.000 0.515 196 D N -0.025 120.551 120.400 0.294 0.000 2.123 196 D HA -0.239 4.401 4.640 0.001 0.000 0.196 196 D C 2.164 178.542 176.300 0.130 0.000 0.992 196 D CA 1.672 55.807 54.000 0.226 0.000 0.833 196 D CB -0.172 40.715 40.800 0.146 0.000 0.954 196 D HN -0.051 nan 8.370 nan 0.000 0.455 197 R N -0.397 120.131 120.500 0.047 0.000 2.073 197 R HA -0.093 4.247 4.340 0.001 0.000 0.234 197 R C 2.427 178.690 176.300 -0.061 0.000 1.134 197 R CA 1.216 57.306 56.100 -0.017 0.000 0.952 197 R CB -0.283 29.985 30.300 -0.054 0.000 0.850 197 R HN 0.279 nan 8.270 nan 0.000 0.433 198 L N -0.744 120.408 121.223 -0.118 0.000 2.072 198 L HA -0.153 4.187 4.340 0.001 0.000 0.205 198 L C 2.220 179.015 176.870 -0.125 0.000 1.079 198 L CA 0.979 55.690 54.840 -0.214 0.000 0.752 198 L CB -0.458 41.365 42.059 -0.394 0.000 0.906 198 L HN 0.216 nan 8.230 nan 0.000 0.436 199 Y N 0.179 120.484 120.300 0.008 0.000 2.242 199 Y HA -0.195 4.356 4.550 0.001 0.000 0.291 199 Y C 2.840 178.720 175.900 -0.034 0.000 1.137 199 Y CA 1.347 59.456 58.100 0.014 0.000 1.181 199 Y CB -0.985 37.514 38.460 0.064 0.000 0.989 199 Y HN 0.112 nan 8.280 nan 0.000 0.527 200 T N -0.382 114.247 114.554 0.125 0.000 2.777 200 T HA -0.182 4.168 4.350 0.001 0.000 0.266 200 T C 1.991 176.666 174.700 -0.042 0.000 1.040 200 T CA 1.515 63.642 62.100 0.045 0.000 1.141 200 T CB -0.109 68.778 68.868 0.032 0.000 0.868 200 T HN 0.215 nan 8.240 nan 0.000 0.444 201 K N 0.841 121.156 120.400 -0.140 0.000 2.025 201 K HA 0.006 4.327 4.320 0.001 0.000 0.207 201 K C 2.580 178.857 176.600 -0.538 0.000 1.049 201 K CA 1.101 57.179 56.287 -0.349 0.000 0.933 201 K CB -0.310 31.923 32.500 -0.445 0.000 0.714 201 K HN 0.255 nan 8.250 nan 0.000 0.438 202 A N 1.425 124.019 122.820 -0.376 0.000 1.917 202 A HA -0.239 4.081 4.320 0.001 0.000 0.219 202 A C 1.827 179.412 177.584 0.002 0.000 1.182 202 A CA 1.935 53.828 52.037 -0.239 0.000 0.633 202 A CB -0.541 18.436 19.000 -0.040 0.000 0.819 202 A HN 0.471 nan 8.150 nan 0.000 0.448 203 E N -0.731 119.513 120.200 0.073 0.000 2.150 203 E HA -0.124 4.226 4.350 0.001 0.000 0.193 203 E C 2.237 178.921 176.600 0.141 0.000 0.985 203 E CA 1.062 57.552 56.400 0.151 0.000 0.814 203 E CB -0.137 29.625 29.700 0.104 0.000 0.752 203 E HN 0.621 nan 8.360 nan 0.000 0.466 204 S N -0.361 115.376 115.700 0.062 0.000 2.383 204 S HA -0.141 4.329 4.470 0.001 0.000 0.227 204 S C 1.779 176.527 174.600 0.246 0.000 1.026 204 S CA 0.765 59.034 58.200 0.114 0.000 0.981 204 S CB -0.160 63.082 63.200 0.070 0.000 0.818 204 S HN 0.259 nan 8.310 nan 0.000 0.472 205 Y N 0.296 120.604 120.300 0.013 0.000 2.181 205 Y HA 0.056 4.606 4.550 0.001 0.000 0.288 205 Y C 1.955 177.869 175.900 0.024 0.000 1.146 205 Y CA 0.326 58.395 58.100 -0.051 0.000 1.164 205 Y CB -1.055 37.284 38.460 -0.202 0.000 0.982 205 Y HN 0.336 nan 8.280 nan 0.000 0.515 206 F N 0.180 120.290 119.950 0.266 0.000 2.789 206 F HA 0.052 4.580 4.527 0.001 0.000 0.300 206 F C 0.812 176.734 175.800 0.203 0.000 1.132 206 F CA 0.052 58.204 58.000 0.253 0.000 1.404 206 F CB -0.314 38.860 39.000 0.290 0.000 1.114 206 F HN -0.013 nan 8.300 nan 0.000 0.584 207 Q N 0.406 120.402 119.800 0.326 0.000 2.453 207 Q HA -0.195 4.146 4.340 0.001 0.000 0.294 207 Q C 0.082 176.181 176.000 0.166 0.000 1.295 207 Q CA 0.826 56.749 55.803 0.200 0.000 0.853 207 Q CB -2.734 26.097 28.738 0.154 0.000 1.193 207 Q HN 0.237 nan 8.270 nan 0.000 0.461 208 T N 0.066 114.736 114.554 0.193 0.000 2.934 208 T HA 0.394 4.744 4.350 0.001 0.000 0.306 208 T C 0.811 175.553 174.700 0.070 0.000 1.042 208 T CA 0.642 62.817 62.100 0.124 0.000 1.145 208 T CB 1.221 70.171 68.868 0.136 0.000 0.982 208 T HN 0.502 nan 8.240 nan 0.000 0.544 209 G N 0.639 109.465 108.800 0.043 0.000 2.692 209 G HA2 0.540 4.500 3.960 0.001 0.000 0.291 209 G HA3 0.540 4.500 3.960 0.001 0.000 0.291 209 G C 0.036 174.953 174.900 0.028 0.000 1.423 209 G CA -0.553 44.562 45.100 0.025 0.000 0.843 209 G HN 0.647 nan 8.290 nan 0.000 0.486 210 T N -2.329 112.241 114.554 0.027 0.000 3.288 210 T HA 0.272 4.623 4.350 0.001 0.000 0.293 210 T C 0.167 174.889 174.700 0.037 0.000 1.008 210 T CA 0.501 62.626 62.100 0.042 0.000 0.929 210 T CB 0.383 69.279 68.868 0.047 0.000 1.152 210 T HN 0.504 nan 8.240 nan 0.000 0.517 211 D N 0.323 120.726 120.400 0.006 0.000 2.500 211 D HA 0.053 4.693 4.640 0.001 0.000 0.217 211 D C 1.332 177.576 176.300 -0.092 0.000 1.159 211 D CA -0.033 53.950 54.000 -0.029 0.000 0.828 211 D CB -0.061 40.716 40.800 -0.039 0.000 1.039 211 D HN 0.282 nan 8.370 nan 0.000 0.512 212 Q N -0.442 119.299 119.800 -0.098 0.000 2.436 212 Q HA 0.175 4.515 4.340 0.001 0.000 0.209 212 Q C 0.280 175.919 176.000 -0.602 0.000 0.965 212 Q CA 0.845 56.460 55.803 -0.314 0.000 0.910 212 Q CB -0.202 28.329 28.738 -0.345 0.000 0.980 212 Q HN 0.280 nan 8.270 nan 0.000 0.491 213 F N -0.277 119.523 119.950 -0.250 0.000 2.735 213 F HA 0.232 4.759 4.527 0.001 0.000 0.308 213 F C 1.326 176.937 175.800 -0.315 0.000 1.112 213 F CA -0.595 57.216 58.000 -0.315 0.000 1.235 213 F CB 0.370 39.112 39.000 -0.430 0.000 1.027 213 F HN -0.019 nan 8.300 nan 0.000 0.528 214 K N 0.581 120.913 120.400 -0.114 0.000 2.152 214 K HA -0.181 4.140 4.320 0.001 0.000 0.206 214 K C 1.001 177.588 176.600 -0.022 0.000 1.048 214 K CA 1.944 58.220 56.287 -0.019 0.000 0.933 214 K CB -0.242 32.231 32.500 -0.046 0.000 0.721 214 K HN 0.317 nan 8.250 nan 0.000 0.447 215 E N 1.463 121.536 120.200 -0.211 0.000 2.465 215 E HA 0.054 4.404 4.350 0.001 0.000 0.195 215 E C -0.628 175.881 176.600 -0.152 0.000 1.028 215 E CA -0.362 55.748 56.400 -0.482 0.000 0.899 215 E CB 0.761 30.000 29.700 -0.767 0.000 1.032 215 E HN 0.273 nan 8.360 nan 0.000 0.468 216 S N 0.467 116.194 115.700 0.044 0.000 2.531 216 S HA 0.109 4.579 4.470 0.001 0.000 0.279 216 S C 1.257 175.945 174.600 0.147 0.000 1.305 216 S CA -0.387 57.879 58.200 0.111 0.000 1.058 216 S CB 0.476 63.794 63.200 0.197 0.000 0.899 216 S HN 0.222 nan 8.310 nan 0.000 0.493 217 I N 4.831 125.366 120.570 -0.059 0.000 2.202 217 I HA -0.155 4.015 4.170 0.001 0.000 0.242 217 I C 2.716 178.689 176.117 -0.239 0.000 1.091 217 I CA 1.150 62.183 61.300 -0.446 0.000 1.368 217 I CB -0.229 37.274 38.000 -0.829 0.000 1.058 217 I HN 0.710 nan 8.210 nan 0.000 0.410 218 R N -0.486 119.951 120.500 -0.105 0.000 2.081 218 R HA -0.234 4.106 4.340 0.001 0.000 0.235 218 R C 2.361 178.696 176.300 0.057 0.000 1.131 218 R CA 1.731 57.816 56.100 -0.025 0.000 0.960 218 R CB -0.692 29.601 30.300 -0.012 0.000 0.856 218 R HN 0.414 nan 8.270 nan 0.000 0.436 219 H N 1.237 120.329 119.070 0.037 0.000 2.290 219 H HA -0.077 4.479 4.556 0.001 0.000 0.298 219 H C 1.779 177.179 175.328 0.120 0.000 1.087 219 H CA 1.992 58.084 56.048 0.073 0.000 1.291 219 H CB -0.114 29.722 29.762 0.123 0.000 1.369 219 H HN 0.130 nan 8.280 nan 0.000 0.492 220 N N 0.023 118.826 118.700 0.171 0.000 2.244 220 N HA -0.122 4.618 4.740 0.001 0.000 0.183 220 N C 2.042 177.685 175.510 0.223 0.000 1.016 220 N CA 0.949 54.133 53.050 0.223 0.000 0.866 220 N CB -0.237 38.580 38.487 0.550 0.000 0.980 220 N HN 0.300 nan 8.380 nan 0.000 0.430 221 L N 1.368 122.742 121.223 0.252 0.000 2.012 221 L HA -0.136 4.205 4.340 0.001 0.000 0.210 221 L C 2.137 179.060 176.870 0.089 0.000 1.073 221 L CA 1.434 56.422 54.840 0.245 0.000 0.748 221 L CB -0.624 41.542 42.059 0.178 0.000 0.891 221 L HN -0.121 nan 8.230 nan 0.000 0.431 222 V N -0.822 119.097 119.914 0.008 0.000 2.307 222 V HA -0.241 3.879 4.120 0.001 0.000 0.245 222 V C 2.433 178.450 176.094 -0.128 0.000 1.045 222 V CA 1.566 63.834 62.300 -0.052 0.000 1.024 222 V CB -0.699 31.072 31.823 -0.086 0.000 0.651 222 V HN 0.504 nan 8.190 nan 0.000 0.449 223 L N 1.138 122.245 121.223 -0.193 0.000 1.990 223 L HA -0.200 4.140 4.340 0.001 0.000 0.213 223 L C 2.215 179.016 176.870 -0.115 0.000 1.072 223 L CA 2.148 56.869 54.840 -0.198 0.000 0.755 223 L CB -1.065 40.840 42.059 -0.257 0.000 0.889 223 L HN 0.325 nan 8.230 nan 0.000 0.432 224 N N -0.164 118.515 118.700 -0.035 0.000 2.120 224 N HA -0.211 4.530 4.740 0.001 0.000 0.188 224 N C 1.863 177.353 175.510 -0.034 0.000 1.024 224 N CA 1.395 54.442 53.050 -0.005 0.000 0.852 224 N CB -0.354 38.153 38.487 0.034 0.000 1.003 224 N HN 0.287 nan 8.380 nan 0.000 0.424 225 K N 1.258 121.637 120.400 -0.035 0.000 2.057 225 K HA 0.056 4.376 4.320 0.001 0.000 0.207 225 K C 1.946 178.500 176.600 -0.078 0.000 1.049 225 K CA 0.909 57.172 56.287 -0.039 0.000 0.931 225 K CB -0.402 32.093 32.500 -0.008 0.000 0.714 225 K HN 0.134 nan 8.250 nan 0.000 0.440 226 L N -0.133 120.971 121.223 -0.198 0.000 2.109 226 L HA -0.124 4.216 4.340 0.001 0.000 0.207 226 L C 2.201 178.884 176.870 -0.312 0.000 1.086 226 L CA 1.438 56.046 54.840 -0.386 0.000 0.760 226 L CB -0.690 40.749 42.059 -1.033 0.000 0.910 226 L HN 0.226 nan 8.230 nan 0.000 0.437 227 T N -0.603 113.819 114.554 -0.219 0.000 2.652 227 T HA -0.289 4.062 4.350 0.001 0.000 0.267 227 T C 1.768 176.522 174.700 0.089 0.000 1.039 227 T CA 1.926 64.062 62.100 0.059 0.000 1.153 227 T CB -0.142 68.766 68.868 0.066 0.000 0.863 227 T HN 0.381 nan 8.240 nan 0.000 0.428 228 E N 0.581 120.795 120.200 0.023 0.000 2.051 228 E HA -0.174 4.176 4.350 0.001 0.000 0.192 228 E C 2.256 178.858 176.600 0.003 0.000 0.991 228 E CA 1.046 57.453 56.400 0.012 0.000 0.799 228 E CB 0.029 29.718 29.700 -0.018 0.000 0.748 228 E HN 0.341 nan 8.360 nan 0.000 0.449 229 E N -0.438 119.751 120.200 -0.018 0.000 2.153 229 E HA -0.173 4.177 4.350 0.001 0.000 0.194 229 E C 0.870 177.326 176.600 -0.240 0.000 0.988 229 E CA 0.998 57.316 56.400 -0.137 0.000 0.811 229 E CB -0.007 29.584 29.700 -0.181 0.000 0.746 229 E HN 0.496 nan 8.360 nan 0.000 0.466 230 Y N 0.365 120.703 120.300 0.063 0.000 2.658 230 Y HA 0.183 4.733 4.550 0.001 0.000 0.276 230 Y C 0.617 176.581 175.900 0.107 0.000 1.167 230 Y CA -0.397 57.778 58.100 0.125 0.000 1.230 230 Y CB 0.373 39.004 38.460 0.285 0.000 1.144 230 Y HN -0.275 nan 8.280 nan 0.000 0.529 231 K N 0.748 121.241 120.400 0.155 0.000 2.491 231 K HA 0.095 4.415 4.320 0.001 0.000 0.279 231 K C 1.195 177.855 176.600 0.100 0.000 1.026 231 K CA 1.310 57.666 56.287 0.115 0.000 1.070 231 K CB -0.020 32.515 32.500 0.058 0.000 0.887 231 K HN 0.660 nan 8.250 nan 0.000 0.481 232 G N 3.148 112.009 108.800 0.101 0.000 2.162 232 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 232 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 232 G C 0.531 175.486 174.900 0.092 0.000 0.976 232 G CA 0.811 45.959 45.100 0.080 0.000 0.655 232 G HN 0.754 nan 8.290 nan 0.000 0.533 233 Q N -1.628 118.254 119.800 0.137 0.000 2.527 233 Q HA 0.250 4.591 4.340 0.001 0.000 0.252 233 Q C 1.090 177.176 176.000 0.143 0.000 0.827 233 Q CA 0.091 55.984 55.803 0.150 0.000 0.979 233 Q CB 1.079 29.940 28.738 0.206 0.000 1.248 233 Q HN 0.477 nan 8.270 nan 0.000 0.578 234 R N 0.599 121.193 120.500 0.158 0.000 2.740 234 R HA 0.387 4.727 4.340 0.001 0.000 0.273 234 R C -1.584 174.725 176.300 0.016 0.000 0.998 234 R CA -0.683 55.413 56.100 -0.007 0.000 0.900 234 R CB 1.786 31.878 30.300 -0.347 0.000 1.223 234 R HN -0.023 nan 8.270 nan 0.000 0.466 235 D N 1.619 121.957 120.400 -0.102 0.000 2.168 235 D HA 0.363 5.004 4.640 0.001 0.000 0.246 235 D C -0.721 175.422 176.300 -0.263 0.000 1.050 235 D CA 0.106 54.081 54.000 -0.042 0.000 0.857 235 D CB 1.330 42.123 40.800 -0.011 0.000 1.169 235 D HN 0.135 nan 8.370 nan 0.000 0.453 236 F N 0.826 120.780 119.950 0.008 0.000 2.522 236 F HA 0.357 4.884 4.527 0.001 0.000 0.324 236 F C 0.681 176.497 175.800 0.026 0.000 1.077 236 F CA -0.612 57.386 58.000 -0.002 0.000 0.944 236 F CB 1.812 40.802 39.000 -0.016 0.000 1.175 236 F HN 0.219 nan 8.300 nan 0.000 0.468 237 Q N 0.043 119.960 119.800 0.194 0.000 2.737 237 Q HA 0.338 4.678 4.340 0.001 0.000 0.307 237 Q C -1.558 174.557 176.000 0.192 0.000 0.905 237 Q CA -1.295 54.606 55.803 0.164 0.000 0.753 237 Q CB 1.687 30.488 28.738 0.104 0.000 1.463 237 Q HN 0.604 nan 8.270 nan 0.000 0.455 238 Q N 0.932 120.863 119.800 0.218 0.000 2.337 238 Q HA 0.219 4.560 4.340 0.001 0.000 0.270 238 Q C -0.503 175.567 176.000 0.116 0.000 1.002 238 Q CA -0.149 55.786 55.803 0.219 0.000 0.888 238 Q CB 0.508 29.339 28.738 0.154 0.000 1.222 238 Q HN 0.568 nan 8.270 nan 0.000 0.400 239 I N 7.018 127.637 120.570 0.082 0.000 2.821 239 I HA -0.071 4.099 4.170 0.001 0.000 0.294 239 I C -1.960 174.180 176.117 0.038 0.000 1.210 239 I CA -1.319 60.007 61.300 0.044 0.000 1.430 239 I CB 0.163 38.157 38.000 -0.010 0.000 1.356 239 I HN 0.432 nan 8.210 nan 0.000 0.563 240 P HA 0.206 nan 4.420 nan 0.000 0.271 240 P C -0.904 176.398 177.300 0.004 0.000 1.233 240 P CA 0.166 63.276 63.100 0.016 0.000 0.764 240 P CB 0.430 32.126 31.700 -0.008 0.000 0.825 241 L N 2.449 123.687 121.223 0.025 0.000 2.362 241 L HA 0.608 4.948 4.340 0.001 0.000 0.275 241 L C 0.392 177.272 176.870 0.017 0.000 0.998 241 L CA -1.190 53.667 54.840 0.027 0.000 0.820 241 L CB 2.053 44.199 42.059 0.145 0.000 1.270 241 L HN 0.253 nan 8.230 nan 0.000 0.415 242 A N 3.306 126.099 122.820 -0.044 0.000 2.666 242 A HA 0.717 5.038 4.320 0.001 0.000 0.301 242 A C 0.110 177.739 177.584 0.074 0.000 1.470 242 A CA 0.198 52.258 52.037 0.037 0.000 1.159 242 A CB -0.447 18.547 19.000 -0.010 0.000 1.116 242 A HN 0.813 nan 8.150 nan 0.000 0.548 243 A N 1.926 124.752 122.820 0.011 0.000 2.590 243 A HA 0.702 5.022 4.320 0.001 0.000 0.294 243 A C -0.503 176.971 177.584 -0.183 0.000 1.046 243 A CA -0.480 51.459 52.037 -0.163 0.000 0.684 243 A CB 0.629 19.334 19.000 -0.492 0.000 1.279 243 A HN 0.677 nan 8.150 nan 0.000 0.415 244 T N 1.447 115.865 114.554 -0.226 0.000 2.840 244 T HA 0.487 4.837 4.350 0.001 0.000 0.287 244 T C -0.024 174.531 174.700 -0.241 0.000 0.991 244 T CA -0.428 61.566 62.100 -0.175 0.000 0.964 244 T CB 1.200 70.023 68.868 -0.074 0.000 0.954 244 T HN 0.729 nan 8.240 nan 0.000 0.438 245 R N 2.454 122.795 120.500 -0.265 0.000 2.401 245 R HA 0.194 4.535 4.340 0.001 0.000 0.299 245 R C 0.851 177.072 176.300 -0.130 0.000 1.064 245 R CA -0.291 55.652 56.100 -0.262 0.000 1.000 245 R CB 0.359 30.470 30.300 -0.315 0.000 0.973 245 R HN 0.408 nan 8.270 nan 0.000 0.438 246 R N 1.236 121.714 120.500 -0.037 0.000 2.206 246 R HA 0.119 4.460 4.340 0.001 0.000 0.198 246 R C 0.265 176.540 176.300 -0.041 0.000 0.986 246 R CA 0.703 56.791 56.100 -0.019 0.000 1.029 246 R CB 0.246 30.556 30.300 0.017 0.000 0.966 246 R HN 0.754 nan 8.270 nan 0.000 0.487 247 S N -1.482 114.208 115.700 -0.016 0.000 2.615 247 S HA 0.388 4.858 4.470 0.001 0.000 0.269 247 S C -2.614 171.954 174.600 -0.054 0.000 1.161 247 S CA -1.126 57.056 58.200 -0.030 0.000 0.817 247 S CB 2.264 65.465 63.200 0.001 0.000 1.131 247 S HN -0.274 nan 8.310 nan 0.000 0.467 248 P HA -0.011 nan 4.420 nan 0.000 0.222 248 P C 0.967 178.239 177.300 -0.047 0.000 1.142 248 P CA 1.787 64.845 63.100 -0.070 0.000 0.788 248 P CB -0.153 31.521 31.700 -0.043 0.000 0.767 249 T N -7.068 107.490 114.554 0.006 0.000 3.170 249 T HA 0.284 4.634 4.350 0.001 0.000 0.288 249 T C -0.263 174.487 174.700 0.085 0.000 0.992 249 T CA -0.354 61.769 62.100 0.037 0.000 0.909 249 T CB -0.573 68.334 68.868 0.065 0.000 1.133 249 T HN -0.133 nan 8.240 nan 0.000 0.530 250 F N 1.817 121.706 119.950 -0.101 0.000 2.579 250 F HA 0.654 5.181 4.527 0.001 0.000 0.325 250 F C -1.406 174.263 175.800 -0.218 0.000 1.162 250 F CA -1.147 56.787 58.000 -0.110 0.000 0.946 250 F CB 1.884 40.834 39.000 -0.082 0.000 1.211 250 F HN -0.102 nan 8.300 nan 0.000 0.447 251 V N 5.480 125.062 119.914 -0.554 0.000 2.384 251 V HA 0.256 4.377 4.120 0.001 0.000 0.287 251 V C -0.194 175.364 176.094 -0.893 0.000 1.020 251 V CA -0.816 61.058 62.300 -0.711 0.000 0.850 251 V CB 1.554 32.769 31.823 -1.012 0.000 0.987 251 V HN 0.702 nan 8.190 nan 0.000 0.436 252 E N 4.707 124.659 120.200 -0.413 0.000 2.003 252 E HA 0.135 4.485 4.350 0.001 0.000 0.279 252 E C -1.092 175.313 176.600 -0.324 0.000 1.132 252 E CA -0.539 55.754 56.400 -0.179 0.000 0.888 252 E CB 0.422 30.201 29.700 0.133 0.000 1.056 252 E HN 0.633 nan 8.360 nan 0.000 0.399 253 W N 3.051 124.267 121.300 -0.140 0.000 2.238 253 W HA 0.130 4.791 4.660 0.001 0.000 0.321 253 W C 0.633 177.191 176.519 0.065 0.000 1.293 253 W CA -0.577 56.658 57.345 -0.183 0.000 1.204 253 W CB 0.841 29.945 29.460 -0.594 0.000 1.167 253 W HN 0.317 nan 8.180 nan 0.000 0.553 254 S N 1.856 117.780 115.700 0.375 0.000 2.600 254 S HA 0.576 5.046 4.470 0.001 0.000 0.265 254 S C 0.208 175.284 174.600 0.794 0.000 1.325 254 S CA -0.483 58.016 58.200 0.499 0.000 1.002 254 S CB 1.073 64.569 63.200 0.494 0.000 0.921 254 S HN 0.531 nan 8.310 nan 0.000 0.554 255 S N -0.542 115.565 115.700 0.679 0.000 2.683 255 S HA 0.670 5.140 4.470 0.001 0.000 0.269 255 S C 0.757 175.571 174.600 0.358 0.000 1.165 255 S CA -0.346 58.183 58.200 0.548 0.000 0.840 255 S CB 0.459 63.899 63.200 0.400 0.000 1.169 255 S HN 0.767 nan 8.310 nan 0.000 0.490 256 A N 1.796 124.723 122.820 0.179 0.000 1.915 256 A HA -0.234 4.087 4.320 0.001 0.000 0.220 256 A C 2.039 179.682 177.584 0.098 0.000 1.198 256 A CA 2.365 54.461 52.037 0.098 0.000 0.647 256 A CB -1.666 17.366 19.000 0.053 0.000 0.825 256 A HN 0.895 nan 8.150 nan 0.000 0.456 257 N N -0.696 118.068 118.700 0.107 0.000 2.205 257 N HA -0.157 4.583 4.740 0.001 0.000 0.186 257 N C 1.527 177.071 175.510 0.057 0.000 1.015 257 N CA 2.057 55.142 53.050 0.058 0.000 0.862 257 N CB -0.266 38.267 38.487 0.076 0.000 0.986 257 N HN 0.490 nan 8.380 nan 0.000 0.429 258 T N 0.310 114.947 114.554 0.138 0.000 2.821 258 T HA -0.037 4.314 4.350 0.001 0.000 0.267 258 T C 2.052 176.793 174.700 0.069 0.000 1.046 258 T CA 0.992 63.177 62.100 0.141 0.000 1.139 258 T CB -0.091 68.937 68.868 0.266 0.000 0.871 258 T HN 0.055 nan 8.240 nan 0.000 0.454 259 V N -0.458 119.480 119.914 0.041 0.000 2.346 259 V HA 0.180 4.300 4.120 0.001 0.000 0.244 259 V C 0.451 176.515 176.094 -0.050 0.000 1.037 259 V CA 0.920 63.167 62.300 -0.089 0.000 1.029 259 V CB -0.286 31.441 31.823 -0.160 0.000 0.663 259 V HN 0.461 nan 8.190 nan 0.000 0.454 260 F N 1.036 120.868 119.950 -0.196 0.000 2.605 260 F HA 0.381 4.908 4.527 0.001 0.000 0.320 260 F C 0.321 176.013 175.800 -0.179 0.000 1.159 260 F CA -1.794 56.061 58.000 -0.242 0.000 0.999 260 F CB 1.421 40.226 39.000 -0.325 0.000 1.258 260 F HN 0.172 nan 8.300 nan 0.000 0.464 261 D N 4.695 124.677 120.400 -0.697 0.000 2.350 261 D HA -0.107 4.533 4.640 0.001 0.000 0.216 261 D C 1.243 177.260 176.300 -0.471 0.000 0.968 261 D CA 1.256 54.971 54.000 -0.475 0.000 0.894 261 D CB -0.089 40.491 40.800 -0.367 0.000 0.909 261 D HN 0.690 nan 8.370 nan 0.000 0.520 262 L N -2.005 118.743 121.223 -0.792 0.000 4.625 262 L HA -0.245 4.095 4.340 0.001 0.000 0.428 262 L C -0.203 176.634 176.870 -0.056 0.000 1.129 262 L CA 0.513 55.178 54.840 -0.291 0.000 0.978 262 L CB -1.363 40.697 42.059 0.002 0.000 2.043 262 L HN 0.228 nan 8.230 nan 0.000 0.847 263 Q N 0.971 120.636 119.800 -0.224 0.000 2.332 263 Q HA 0.206 4.547 4.340 0.001 0.000 0.263 263 Q C 0.403 176.471 176.000 0.113 0.000 0.979 263 Q CA -0.071 55.693 55.803 -0.064 0.000 0.885 263 Q CB 0.604 29.269 28.738 -0.123 0.000 1.218 263 Q HN 0.141 nan 8.270 nan 0.000 0.405 264 N N 2.134 120.894 118.700 0.100 0.000 2.407 264 N HA 0.019 4.759 4.740 0.001 0.000 0.250 264 N C -0.251 175.327 175.510 0.113 0.000 1.236 264 N CA 0.544 53.651 53.050 0.095 0.000 0.879 264 N CB 0.533 38.971 38.487 -0.081 0.000 1.088 264 N HN 0.267 nan 8.380 nan 0.000 0.450 265 R N 1.359 121.959 120.500 0.166 0.000 2.795 265 R HA 0.497 4.838 4.340 0.001 0.000 0.275 265 R C -2.490 173.878 176.300 0.114 0.000 0.981 265 R CA -1.657 54.532 56.100 0.149 0.000 0.917 265 R CB 1.608 32.034 30.300 0.210 0.000 1.202 265 R HN 0.348 nan 8.270 nan 0.000 0.469 266 P HA 0.100 nan 4.420 nan 0.000 0.271 266 P C -1.244 176.114 177.300 0.096 0.000 1.218 266 P CA -0.247 62.951 63.100 0.162 0.000 0.780 266 P CB 0.607 32.458 31.700 0.251 0.000 0.901 267 N N -1.389 117.355 118.700 0.074 0.000 3.204 267 N HA 0.267 5.008 4.740 0.001 0.000 0.285 267 N C 0.450 175.975 175.510 0.025 0.000 1.536 267 N CA -0.753 52.320 53.050 0.038 0.000 0.832 267 N CB -0.589 37.908 38.487 0.017 0.000 1.645 267 N HN 0.044 nan 8.380 nan 0.000 0.586 268 T N -0.847 113.712 114.554 0.009 0.000 2.759 268 T HA -0.102 4.249 4.350 0.001 0.000 0.269 268 T C 0.385 175.084 174.700 -0.002 0.000 1.042 268 T CA 1.606 63.707 62.100 0.001 0.000 1.140 268 T CB -0.419 68.445 68.868 -0.006 0.000 0.864 268 T HN 0.509 nan 8.240 nan 0.000 0.455 269 D N 0.952 121.349 120.400 -0.005 0.000 2.289 269 D HA 0.194 4.834 4.640 0.001 0.000 0.207 269 D C 0.847 177.148 176.300 0.001 0.000 0.966 269 D CA 0.408 54.402 54.000 -0.010 0.000 0.868 269 D CB 0.227 41.013 40.800 -0.024 0.000 0.943 269 D HN 0.372 nan 8.370 nan 0.000 0.514 270 A N 1.489 124.320 122.820 0.017 0.000 3.159 270 A HA 0.334 4.654 4.320 0.001 0.000 0.330 270 A C -1.922 175.705 177.584 0.072 0.000 1.032 270 A CA -0.926 51.136 52.037 0.043 0.000 0.841 270 A CB 0.948 19.980 19.000 0.053 0.000 1.093 270 A HN -0.150 nan 8.150 nan 0.000 0.478 271 P HA -0.120 nan 4.420 nan 0.000 0.221 271 P C 0.680 178.025 177.300 0.075 0.000 1.150 271 P CA 1.210 64.335 63.100 0.042 0.000 0.800 271 P CB 0.356 32.046 31.700 -0.017 0.000 0.787 272 E N -0.372 119.884 120.200 0.093 0.000 2.474 272 E HA 0.083 4.434 4.350 0.001 0.000 0.195 272 E C 0.261 177.098 176.600 0.395 0.000 1.039 272 E CA 0.061 56.567 56.400 0.177 0.000 0.881 272 E CB 0.295 30.032 29.700 0.062 0.000 0.970 272 E HN 0.493 nan 8.360 nan 0.000 0.486 273 E N 1.101 121.475 120.200 0.291 0.000 2.248 273 E HA 0.400 4.750 4.350 0.001 0.000 0.272 273 E C -0.282 176.435 176.600 0.196 0.000 1.008 273 E CA -0.464 56.068 56.400 0.221 0.000 0.856 273 E CB 1.386 31.189 29.700 0.172 0.000 1.120 273 E HN -0.105 nan 8.360 nan 0.000 0.397 274 R N 1.975 122.554 120.500 0.132 0.000 2.473 274 R HA 0.422 4.762 4.340 0.001 0.000 0.303 274 R C -1.545 174.874 176.300 0.198 0.000 1.002 274 R CA -0.570 55.572 56.100 0.071 0.000 0.884 274 R CB 1.030 31.261 30.300 -0.115 0.000 1.173 274 R HN 0.389 nan 8.270 nan 0.000 0.464 275 F N 2.344 122.305 119.950 0.018 0.000 2.605 275 F HA 0.422 4.950 4.527 0.001 0.000 0.320 275 F C -1.669 174.086 175.800 -0.075 0.000 1.159 275 F CA -0.751 57.253 58.000 0.007 0.000 0.999 275 F CB 1.900 40.975 39.000 0.125 0.000 1.258 275 F HN 0.382 nan 8.300 nan 0.000 0.464 276 N N 5.033 123.100 118.700 -1.056 0.000 2.346 276 N HA 0.565 5.305 4.740 0.001 0.000 0.289 276 N C -1.904 172.632 175.510 -1.623 0.000 1.027 276 N CA -0.621 51.733 53.050 -1.161 0.000 0.864 276 N CB 2.274 40.272 38.487 -0.814 0.000 1.370 276 N HN 0.562 nan 8.380 nan 0.000 0.481 277 L N 2.606 123.048 121.223 -1.302 0.000 2.289 277 L HA 0.606 4.946 4.340 0.001 0.000 0.285 277 L C -1.533 174.794 176.870 -0.906 0.000 1.049 277 L CA -0.179 54.154 54.840 -0.845 0.000 0.804 277 L CB 0.093 41.985 42.059 -0.277 0.000 1.195 277 L HN 0.475 nan 8.230 nan 0.000 0.428 278 F N 6.469 126.129 119.950 -0.483 0.000 2.443 278 F HA 0.508 5.035 4.527 0.001 0.000 0.369 278 F C -2.118 173.594 175.800 -0.147 0.000 1.090 278 F CA -1.946 55.853 58.000 -0.335 0.000 1.129 278 F CB 0.655 39.368 39.000 -0.478 0.000 1.367 278 F HN 0.427 nan 8.300 nan 0.000 0.465 279 P HA 0.299 nan 4.420 nan 0.000 0.276 279 P C 0.031 177.376 177.300 0.076 0.000 1.261 279 P CA -0.238 62.891 63.100 0.048 0.000 0.800 279 P CB 0.984 32.693 31.700 0.014 0.000 1.066 280 A N -1.244 121.608 122.820 0.054 0.000 2.745 280 A HA -0.103 4.217 4.320 0.001 0.000 0.296 280 A C -0.046 177.565 177.584 0.045 0.000 1.500 280 A CA 0.786 52.850 52.037 0.045 0.000 0.766 280 A CB -2.426 16.599 19.000 0.042 0.000 1.030 280 A HN 0.257 nan 8.150 nan 0.000 0.489 281 V N -0.274 119.682 119.914 0.070 0.000 2.409 281 V HA 0.656 4.776 4.120 0.001 0.000 0.290 281 V C 0.583 176.688 176.094 0.017 0.000 1.017 281 V CA -0.308 62.037 62.300 0.075 0.000 0.841 281 V CB 1.496 33.459 31.823 0.233 0.000 1.003 281 V HN 1.441 nan 8.190 nan 0.000 0.426 282 A N 4.256 127.056 122.820 -0.034 0.000 2.347 282 A HA 0.441 4.761 4.320 0.001 0.000 0.287 282 A C 0.183 177.730 177.584 -0.061 0.000 1.199 282 A CA -0.199 51.803 52.037 -0.058 0.000 0.851 282 A CB -0.153 18.846 19.000 -0.001 0.000 1.118 282 A HN 0.884 nan 8.150 nan 0.000 0.525 283 C N 3.087 122.331 119.300 -0.092 0.000 2.373 283 C HA 0.308 4.769 4.460 0.001 0.000 0.354 283 C C 1.338 176.285 174.990 -0.071 0.000 1.249 283 C CA -0.306 58.643 59.018 -0.115 0.000 1.784 283 C CB -0.737 26.931 27.740 -0.121 0.000 2.408 283 C HN 0.988 nan 8.230 nan 0.000 0.542 284 E N 1.258 121.439 120.200 -0.030 0.000 2.290 284 E HA 0.075 4.426 4.350 0.001 0.000 0.197 284 E C 0.402 177.015 176.600 0.022 0.000 0.948 284 E CA 0.339 56.755 56.400 0.027 0.000 0.895 284 E CB 0.440 30.220 29.700 0.133 0.000 0.865 284 E HN 0.809 nan 8.360 nan 0.000 0.486 285 R N -0.233 120.288 120.500 0.035 0.000 2.687 285 R HA 0.385 4.725 4.340 0.001 0.000 0.265 285 R C -0.979 175.315 176.300 -0.010 0.000 1.048 285 R CA -0.887 55.215 56.100 0.005 0.000 0.884 285 R CB 0.870 31.171 30.300 0.003 0.000 1.258 285 R HN -0.082 nan 8.270 nan 0.000 0.469 286 V N -0.287 119.601 119.914 -0.044 0.000 2.427 286 V HA 0.634 4.755 4.120 0.001 0.000 0.286 286 V C 0.038 176.086 176.094 -0.077 0.000 1.034 286 V CA -0.846 61.390 62.300 -0.106 0.000 0.893 286 V CB 1.585 33.302 31.823 -0.177 0.000 0.982 286 V HN 0.521 nan 8.190 nan 0.000 0.452 287 V N 5.857 125.709 119.914 -0.104 0.000 2.406 287 V HA 0.436 4.557 4.120 0.001 0.000 0.272 287 V C 0.680 176.746 176.094 -0.046 0.000 1.043 287 V CA -0.386 61.875 62.300 -0.066 0.000 0.915 287 V CB 0.750 32.545 31.823 -0.048 0.000 0.988 287 V HN 0.932 nan 8.190 nan 0.000 0.466 288 R N 3.839 124.330 120.500 -0.016 0.000 2.410 288 R HA 0.313 4.653 4.340 0.001 0.000 0.288 288 R C 0.284 176.608 176.300 0.039 0.000 1.051 288 R CA -0.616 55.528 56.100 0.073 0.000 1.021 288 R CB 0.777 31.090 30.300 0.023 0.000 1.032 288 R HN 0.874 nan 8.270 nan 0.000 0.481 289 N N 1.535 120.271 118.700 0.061 0.000 2.399 289 N HA -0.005 4.735 4.740 0.001 0.000 0.250 289 N C 0.538 176.038 175.510 -0.018 0.000 1.272 289 N CA 0.132 53.187 53.050 0.008 0.000 0.928 289 N CB 0.646 39.134 38.487 0.001 0.000 1.158 289 N HN 0.575 nan 8.380 nan 0.000 0.463 290 A N 0.939 123.742 122.820 -0.028 0.000 1.972 290 A HA -0.081 4.239 4.320 0.001 0.000 0.219 290 A C 2.222 179.775 177.584 -0.052 0.000 1.169 290 A CA 0.981 52.996 52.037 -0.037 0.000 0.635 290 A CB -0.814 18.168 19.000 -0.031 0.000 0.810 290 A HN 0.672 nan 8.150 nan 0.000 0.446 291 L N -1.006 120.178 121.223 -0.066 0.000 2.465 291 L HA -0.076 4.264 4.340 0.001 0.000 0.224 291 L C 0.088 176.862 176.870 -0.161 0.000 1.145 291 L CA 0.229 55.013 54.840 -0.094 0.000 0.834 291 L CB -0.454 41.551 42.059 -0.090 0.000 0.944 291 L HN 0.430 nan 8.230 nan 0.000 0.451 292 N N -0.135 118.452 118.700 -0.188 0.000 2.738 292 N HA -0.172 4.568 4.740 0.001 0.000 0.249 292 N C 0.801 175.741 175.510 -0.950 0.000 1.047 292 N CA 1.029 53.848 53.050 -0.386 0.000 0.707 292 N CB -1.310 37.099 38.487 -0.130 0.000 0.937 292 N HN 0.535 nan 8.380 nan 0.000 0.545 293 S N -2.152 113.097 115.700 -0.752 0.000 2.687 293 S HA 0.268 4.738 4.470 0.001 0.000 0.247 293 S C 0.252 174.602 174.600 -0.416 0.000 1.050 293 S CA -0.205 57.622 58.200 -0.621 0.000 1.063 293 S CB 1.617 64.663 63.200 -0.256 0.000 1.039 293 S HN 0.373 nan 8.310 nan 0.000 0.580 294 E N 0.410 120.468 120.200 -0.236 0.000 2.375 294 E HA 0.419 4.769 4.350 0.001 0.000 0.280 294 E C -1.711 175.056 176.600 0.277 0.000 0.972 294 E CA -0.820 55.656 56.400 0.126 0.000 0.782 294 E CB 1.359 31.108 29.700 0.082 0.000 1.229 294 E HN 0.102 nan 8.360 nan 0.000 0.439 295 I N 3.574 124.275 120.570 0.219 0.000 2.365 295 I HA 0.136 4.306 4.170 0.001 0.000 0.291 295 I C 0.903 176.945 176.117 -0.126 0.000 1.004 295 I CA 0.022 61.272 61.300 -0.084 0.000 1.311 295 I CB 1.263 38.953 38.000 -0.517 0.000 1.401 295 I HN 0.684 nan 8.210 nan 0.000 0.491 296 E N 3.290 123.425 120.200 -0.107 0.000 2.307 296 E HA 0.083 4.434 4.350 0.001 0.000 0.195 296 E C 0.272 176.910 176.600 0.063 0.000 0.975 296 E CA 0.378 56.791 56.400 0.022 0.000 0.878 296 E CB 0.544 30.262 29.700 0.030 0.000 0.845 296 E HN 0.734 nan 8.360 nan 0.000 0.488 297 S N -0.465 115.193 115.700 -0.069 0.000 2.627 297 S HA 0.441 4.912 4.470 0.001 0.000 0.268 297 S C -1.623 172.969 174.600 -0.013 0.000 1.130 297 S CA -1.058 57.195 58.200 0.087 0.000 0.819 297 S CB 1.111 64.374 63.200 0.105 0.000 1.100 297 S HN 0.008 nan 8.310 nan 0.000 0.465 298 L N 2.226 123.530 121.223 0.136 0.000 2.319 298 L HA 0.636 4.977 4.340 0.001 0.000 0.281 298 L C -0.728 176.153 176.870 0.019 0.000 1.005 298 L CA -0.160 54.711 54.840 0.051 0.000 0.828 298 L CB 0.927 43.025 42.059 0.065 0.000 1.227 298 L HN 1.010 nan 8.230 nan 0.000 0.415 299 H N 5.531 124.561 119.070 -0.066 0.000 2.668 299 H HA 0.592 5.148 4.556 0.001 0.000 0.303 299 H C -0.487 174.795 175.328 -0.076 0.000 1.074 299 H CA -0.076 55.938 56.048 -0.055 0.000 1.406 299 H CB 0.565 30.297 29.762 -0.050 0.000 1.442 299 H HN 0.651 nan 8.280 nan 0.000 0.482 300 I N 1.753 121.999 120.570 -0.540 0.000 2.892 300 I HA 0.439 4.609 4.170 0.001 0.000 0.306 300 I C -1.238 174.706 176.117 -0.288 0.000 1.078 300 I CA -1.015 60.062 61.300 -0.372 0.000 1.032 300 I CB 2.640 40.415 38.000 -0.375 0.000 1.229 300 I HN 0.673 nan 8.210 nan 0.000 0.435 301 H N 3.137 122.082 119.070 -0.207 0.000 2.906 301 H HA 0.234 4.790 4.556 0.001 0.000 0.324 301 H C -1.606 173.727 175.328 0.008 0.000 0.973 301 H CA -0.674 55.313 56.048 -0.101 0.000 1.321 301 H CB 1.556 31.274 29.762 -0.073 0.000 1.535 301 H HN 0.789 nan 8.280 nan 0.000 0.518 302 D N 5.605 126.040 120.400 0.058 0.000 2.339 302 D HA 0.014 4.654 4.640 0.001 0.000 0.256 302 D C 1.087 177.269 176.300 -0.198 0.000 1.214 302 D CA -0.116 53.891 54.000 0.011 0.000 0.877 302 D CB 1.102 42.009 40.800 0.178 0.000 1.111 302 D HN 0.680 nan 8.370 nan 0.000 0.478 303 L N 4.135 125.236 121.223 -0.204 0.000 2.313 303 L HA -0.104 4.237 4.340 0.001 0.000 0.214 303 L C 1.887 178.702 176.870 -0.091 0.000 1.119 303 L CA 0.195 54.892 54.840 -0.238 0.000 0.809 303 L CB -0.051 41.950 42.059 -0.097 0.000 0.933 303 L HN 0.515 nan 8.230 nan 0.000 0.449 304 I N -0.506 120.049 120.570 -0.025 0.000 2.296 304 I HA -0.141 4.030 4.170 0.001 0.000 0.242 304 I C 2.757 178.890 176.117 0.026 0.000 1.087 304 I CA 1.636 62.943 61.300 0.011 0.000 1.393 304 I CB -1.347 36.672 38.000 0.031 0.000 1.093 304 I HN 0.253 nan 8.210 nan 0.000 0.421 305 S N 0.568 116.297 115.700 0.049 0.000 2.461 305 S HA 0.077 4.548 4.470 0.001 0.000 0.228 305 S C 1.867 176.509 174.600 0.069 0.000 1.005 305 S CA 0.891 59.133 58.200 0.070 0.000 0.942 305 S CB -0.152 63.116 63.200 0.114 0.000 0.776 305 S HN 0.633 nan 8.310 nan 0.000 0.514 306 G N 0.981 109.821 108.800 0.067 0.000 2.179 306 G HA2 -0.212 3.748 3.960 0.001 0.000 0.260 306 G HA3 -0.212 3.748 3.960 0.001 0.000 0.260 306 G C -0.409 174.593 174.900 0.170 0.000 0.977 306 G CA 0.188 45.370 45.100 0.136 0.000 0.641 306 G HN 0.578 nan 8.290 nan 0.000 0.533 307 D N 0.597 121.057 120.400 0.101 0.000 2.372 307 D HA 0.474 5.114 4.640 0.001 0.000 0.243 307 D C 0.981 177.222 176.300 -0.098 0.000 1.121 307 D CA 0.220 54.176 54.000 -0.072 0.000 0.898 307 D CB 0.557 41.273 40.800 -0.140 0.000 1.202 307 D HN 0.391 nan 8.370 nan 0.000 0.428 308 R N 1.361 121.652 120.500 -0.349 0.000 2.532 308 R HA 0.593 4.934 4.340 0.001 0.000 0.295 308 R C -0.669 175.251 176.300 -0.632 0.000 0.968 308 R CA -0.631 55.277 56.100 -0.320 0.000 0.916 308 R CB 1.135 31.343 30.300 -0.152 0.000 1.124 308 R HN 0.304 nan 8.270 nan 0.000 0.463 309 F N 0.012 119.877 119.950 -0.142 0.000 2.613 309 F HA 0.321 4.848 4.527 0.001 0.000 0.314 309 F C 0.115 175.874 175.800 -0.068 0.000 1.075 309 F CA -1.072 56.879 58.000 -0.080 0.000 0.945 309 F CB 1.821 40.762 39.000 -0.098 0.000 1.310 309 F HN 0.144 nan 8.300 nan 0.000 0.467 310 E N 2.720 123.050 120.200 0.218 0.000 2.113 310 E HA 0.362 4.713 4.350 0.001 0.000 0.273 310 E C -0.737 175.936 176.600 0.121 0.000 0.924 310 E CA -0.358 56.133 56.400 0.152 0.000 0.764 310 E CB 1.613 31.395 29.700 0.136 0.000 1.104 310 E HN 0.310 nan 8.360 nan 0.000 0.406 311 I N 2.433 123.042 120.570 0.065 0.000 2.385 311 I HA 0.279 4.449 4.170 0.001 0.000 0.294 311 I C 0.392 176.610 176.117 0.169 0.000 0.988 311 I CA -0.773 60.572 61.300 0.074 0.000 1.265 311 I CB 1.115 39.082 38.000 -0.054 0.000 1.388 311 I HN 0.251 nan 8.210 nan 0.000 0.480 312 K N 4.783 125.285 120.400 0.170 0.000 2.270 312 K HA 0.840 5.160 4.320 0.001 0.000 0.255 312 K C -1.301 175.363 176.600 0.108 0.000 0.936 312 K CA -0.357 56.045 56.287 0.192 0.000 0.809 312 K CB 2.019 34.600 32.500 0.134 0.000 1.131 312 K HN 0.807 nan 8.250 nan 0.000 0.427 313 A N 2.643 125.453 122.820 -0.018 0.000 2.609 313 A HA 0.384 4.704 4.320 0.001 0.000 0.291 313 A C -0.605 176.867 177.584 -0.186 0.000 1.096 313 A CA -0.681 51.223 52.037 -0.222 0.000 0.684 313 A CB 1.120 19.791 19.000 -0.548 0.000 1.282 313 A HN 0.771 nan 8.150 nan 0.000 0.412 314 D N -0.498 119.846 120.400 -0.092 0.000 2.149 314 D HA 0.115 4.755 4.640 0.001 0.000 0.201 314 D C 0.369 176.623 176.300 -0.076 0.000 0.972 314 D CA 1.733 55.762 54.000 0.048 0.000 0.835 314 D CB 0.191 41.081 40.800 0.151 0.000 0.966 314 D HN 0.244 nan 8.370 nan 0.000 0.476 315 V N 0.565 120.273 119.914 -0.343 0.000 2.709 315 V HA 0.293 4.413 4.120 0.001 0.000 0.308 315 V C -1.272 174.571 176.094 -0.418 0.000 1.062 315 V CA -0.898 61.189 62.300 -0.356 0.000 0.901 315 V CB 1.872 33.342 31.823 -0.588 0.000 1.003 315 V HN -0.072 nan 8.190 nan 0.000 0.425 316 Y N 2.751 123.035 120.300 -0.026 0.000 2.328 316 Y HA 0.680 5.230 4.550 0.001 0.000 0.336 316 Y C -0.125 175.733 175.900 -0.070 0.000 0.960 316 Y CA -0.933 57.140 58.100 -0.046 0.000 1.134 316 Y CB 2.091 40.531 38.460 -0.034 0.000 1.166 316 Y HN 0.352 nan 8.280 nan 0.000 0.464 317 V N 5.593 125.463 119.914 -0.073 0.000 2.409 317 V HA 0.377 4.497 4.120 0.001 0.000 0.291 317 V C -0.384 175.573 176.094 -0.228 0.000 1.020 317 V CA -0.890 61.250 62.300 -0.267 0.000 0.848 317 V CB 1.525 32.968 31.823 -0.633 0.000 0.990 317 V HN 0.604 nan 8.190 nan 0.000 0.430 318 L N 5.311 126.400 121.223 -0.223 0.000 2.262 318 L HA 0.547 4.887 4.340 0.001 0.000 0.288 318 L C 0.441 177.208 176.870 -0.172 0.000 1.035 318 L CA -0.126 54.605 54.840 -0.182 0.000 0.820 318 L CB 1.508 43.439 42.059 -0.213 0.000 1.204 318 L HN 0.822 nan 8.230 nan 0.000 0.424 319 T N -1.616 112.877 114.554 -0.102 0.000 3.697 319 T HA 0.330 4.680 4.350 0.001 0.000 0.260 319 T C 0.652 175.363 174.700 0.019 0.000 0.998 319 T CA -0.089 61.993 62.100 -0.029 0.000 1.128 319 T CB 0.957 69.813 68.868 -0.020 0.000 1.082 319 T HN 0.527 nan 8.240 nan 0.000 0.541 320 A N 0.830 123.668 122.820 0.029 0.000 2.307 320 A HA 0.749 5.069 4.320 0.001 0.000 0.218 320 A C 1.439 179.099 177.584 0.127 0.000 1.228 320 A CA 0.148 52.224 52.037 0.065 0.000 0.857 320 A CB -0.832 18.204 19.000 0.060 0.000 0.897 320 A HN 1.745 nan 8.150 nan 0.000 0.495 321 G N -2.520 106.352 108.800 0.121 0.000 2.699 321 G HA2 0.238 4.198 3.960 0.001 0.000 0.686 321 G HA3 0.238 4.198 3.960 0.001 0.000 0.686 321 G C 0.776 175.773 174.900 0.162 0.000 1.301 321 G CA -0.298 44.881 45.100 0.132 0.000 0.816 321 G HN 1.313 nan 8.290 nan 0.000 0.595 322 A N -0.426 122.473 122.820 0.132 0.000 1.972 322 A HA 0.196 4.516 4.320 0.001 0.000 0.219 322 A C 2.620 180.281 177.584 0.128 0.000 1.169 322 A CA 3.185 55.292 52.037 0.117 0.000 0.635 322 A CB -0.286 18.751 19.000 0.062 0.000 0.810 322 A HN 1.580 nan 8.150 nan 0.000 0.446 323 V N -1.238 118.709 119.914 0.055 0.000 2.379 323 V HA -0.166 3.955 4.120 0.001 0.000 0.243 323 V C 2.171 178.285 176.094 0.032 0.000 1.035 323 V CA 2.034 64.331 62.300 -0.004 0.000 1.035 323 V CB -0.935 30.761 31.823 -0.210 0.000 0.673 323 V HN 0.733 nan 8.190 nan 0.000 0.457 324 H N -0.312 118.830 119.070 0.121 0.000 2.502 324 H HA -0.007 4.549 4.556 0.001 0.000 0.283 324 H C 2.252 177.580 175.328 0.001 0.000 1.015 324 H CA 0.855 56.934 56.048 0.051 0.000 1.298 324 H CB 0.157 29.927 29.762 0.012 0.000 1.411 324 H HN 0.318 nan 8.280 nan 0.000 0.556 325 N N -0.053 118.727 118.700 0.133 0.000 2.084 325 N HA -0.126 4.615 4.740 0.001 0.000 0.190 325 N C 1.798 177.302 175.510 -0.010 0.000 1.030 325 N CA 1.852 54.911 53.050 0.015 0.000 0.849 325 N CB -0.558 37.921 38.487 -0.012 0.000 1.012 325 N HN 0.305 nan 8.380 nan 0.000 0.423 326 T N 0.921 115.546 114.554 0.118 0.000 2.720 326 T HA -0.187 4.163 4.350 0.001 0.000 0.268 326 T C 1.852 176.432 174.700 -0.199 0.000 1.037 326 T CA 1.201 63.366 62.100 0.108 0.000 1.144 326 T CB -0.249 68.822 68.868 0.339 0.000 0.864 326 T HN 0.356 nan 8.240 nan 0.000 0.444 327 Q N 0.069 119.658 119.800 -0.351 0.000 2.061 327 Q HA -0.128 4.213 4.340 0.001 0.000 0.204 327 Q C 2.312 178.044 176.000 -0.447 0.000 0.984 327 Q CA 1.199 56.468 55.803 -0.889 0.000 0.846 327 Q CB -0.258 28.295 28.738 -0.308 0.000 0.902 327 Q HN 0.343 nan 8.270 nan 0.000 0.421 328 L N 0.656 121.752 121.223 -0.211 0.000 2.046 328 L HA -0.171 4.170 4.340 0.001 0.000 0.208 328 L C 2.061 178.849 176.870 -0.136 0.000 1.077 328 L CA 1.619 56.374 54.840 -0.142 0.000 0.747 328 L CB -0.663 41.331 42.059 -0.108 0.000 0.896 328 L HN 0.313 nan 8.230 nan 0.000 0.432 329 L N -2.019 119.102 121.223 -0.170 0.000 2.027 329 L HA -0.197 4.143 4.340 0.001 0.000 0.206 329 L C 2.420 179.316 176.870 0.043 0.000 1.074 329 L CA 0.976 55.739 54.840 -0.130 0.000 0.745 329 L CB -0.643 41.233 42.059 -0.305 0.000 0.898 329 L HN 0.073 nan 8.230 nan 0.000 0.433 330 V N 0.015 119.881 119.914 -0.080 0.000 2.343 330 V HA -0.275 3.845 4.120 0.001 0.000 0.247 330 V C 2.135 178.199 176.094 -0.049 0.000 1.051 330 V CA 2.002 64.274 62.300 -0.046 0.000 1.036 330 V CB -0.710 31.031 31.823 -0.136 0.000 0.654 330 V HN 0.485 nan 8.190 nan 0.000 0.451 331 N N 0.102 118.734 118.700 -0.113 0.000 2.453 331 N HA -0.104 4.637 4.740 0.001 0.000 0.183 331 N C 1.591 177.084 175.510 -0.028 0.000 1.041 331 N CA 1.225 54.235 53.050 -0.067 0.000 0.900 331 N CB -0.067 38.373 38.487 -0.080 0.000 0.961 331 N HN 0.420 nan 8.380 nan 0.000 0.443 332 S N -1.565 114.141 115.700 0.010 0.000 2.556 332 S HA 0.313 4.784 4.470 0.001 0.000 0.216 332 S C 1.119 175.703 174.600 -0.027 0.000 0.970 332 S CA 0.303 58.520 58.200 0.029 0.000 0.912 332 S CB 0.532 63.802 63.200 0.117 0.000 0.790 332 S HN 0.537 nan 8.310 nan 0.000 0.504 333 G N 1.058 109.845 108.800 -0.022 0.000 2.159 333 G HA2 -0.221 3.740 3.960 0.001 0.000 0.227 333 G HA3 -0.221 3.740 3.960 0.001 0.000 0.227 333 G C -0.064 174.738 174.900 -0.163 0.000 0.986 333 G CA -0.584 44.456 45.100 -0.101 0.000 0.651 333 G HN 0.399 nan 8.290 nan 0.000 0.523 334 F N 0.842 120.758 119.950 -0.056 0.000 2.380 334 F HA 0.530 5.058 4.527 0.001 0.000 0.325 334 F C 1.760 177.563 175.800 0.005 0.000 1.136 334 F CA 1.057 59.036 58.000 -0.035 0.000 1.171 334 F CB 0.572 39.523 39.000 -0.083 0.000 1.230 334 F HN 0.708 nan 8.300 nan 0.000 0.554 335 G N 1.504 110.444 108.800 0.233 0.000 2.614 335 G HA2 -0.314 3.646 3.960 0.001 0.000 0.303 335 G HA3 -0.314 3.646 3.960 0.001 0.000 0.303 335 G C -0.611 174.357 174.900 0.115 0.000 1.270 335 G CA 0.423 45.623 45.100 0.167 0.000 0.988 335 G HN 0.867 nan 8.290 nan 0.000 0.551 336 Q N -1.217 118.657 119.800 0.123 0.000 2.289 336 Q HA 0.629 4.970 4.340 0.001 0.000 0.270 336 Q C -1.142 174.936 176.000 0.130 0.000 1.038 336 Q CA -1.014 54.843 55.803 0.089 0.000 0.812 336 Q CB 1.754 30.526 28.738 0.057 0.000 1.300 336 Q HN 0.802 nan 8.270 nan 0.000 0.427 337 L N 3.248 124.536 121.223 0.109 0.000 2.375 337 L HA 0.814 5.154 4.340 0.001 0.000 0.271 337 L C 0.366 177.317 176.870 0.136 0.000 1.107 337 L CA 1.897 56.830 54.840 0.155 0.000 0.806 337 L CB 1.144 43.269 42.059 0.111 0.000 1.146 337 L HN 0.863 nan 8.230 nan 0.000 0.447 338 G N 3.443 112.381 108.800 0.230 0.000 2.728 338 G HA2 -0.208 3.753 3.960 0.001 0.000 0.294 338 G HA3 -0.208 3.753 3.960 0.001 0.000 0.294 338 G C -0.536 174.264 174.900 -0.168 0.000 1.342 338 G CA -0.219 44.973 45.100 0.152 0.000 0.866 338 G HN 0.907 nan 8.290 nan 0.000 0.534 339 R N 0.806 120.981 120.500 -0.543 0.000 2.484 339 R HA 0.364 4.704 4.340 0.001 0.000 0.293 339 R C -1.877 173.964 176.300 -0.765 0.000 1.023 339 R CA -0.691 54.621 56.100 -1.312 0.000 1.037 339 R CB -0.044 29.772 30.300 -0.807 0.000 0.951 339 R HN 0.343 nan 8.270 nan 0.000 0.418 340 P HA -0.138 nan 4.420 nan 0.000 0.261 340 P C -1.266 175.870 177.300 -0.274 0.000 1.165 340 P CA 0.742 63.595 63.100 -0.412 0.000 0.759 340 P CB 0.278 31.758 31.700 -0.368 0.000 0.772 341 N N 3.648 122.247 118.700 -0.168 0.000 2.617 341 N HA 0.221 4.961 4.740 0.001 0.000 0.263 341 N C -2.084 173.381 175.510 -0.074 0.000 1.074 341 N CA -1.868 51.113 53.050 -0.115 0.000 0.841 341 N CB 1.224 39.654 38.487 -0.095 0.000 1.221 341 N HN 0.177 nan 8.380 nan 0.000 0.529 342 P HA 0.154 nan 4.420 nan 0.000 0.255 342 P C 0.157 177.439 177.300 -0.030 0.000 1.357 342 P CA 0.198 63.272 63.100 -0.043 0.000 0.839 342 P CB 0.505 32.178 31.700 -0.045 0.000 1.356 343 A N -0.282 122.518 122.820 -0.033 0.000 2.192 343 A HA 0.167 4.488 4.320 0.001 0.000 0.208 343 A C 0.951 178.523 177.584 -0.020 0.000 1.220 343 A CA -0.005 52.018 52.037 -0.024 0.000 0.900 343 A CB -0.227 18.758 19.000 -0.025 0.000 0.937 343 A HN 0.153 nan 8.150 nan 0.000 0.487 344 N N 2.355 121.040 118.700 -0.025 0.000 2.817 344 N HA 0.274 5.014 4.740 0.001 0.000 0.234 344 N C -2.961 172.541 175.510 -0.013 0.000 1.066 344 N CA -1.359 51.680 53.050 -0.018 0.000 0.926 344 N CB 1.255 39.729 38.487 -0.022 0.000 1.176 344 N HN 0.276 nan 8.380 nan 0.000 0.506 345 P HA 0.247 nan 4.420 nan 0.000 0.274 345 P C -2.644 174.665 177.300 0.014 0.000 1.231 345 P CA -1.130 61.974 63.100 0.006 0.000 0.790 345 P CB 0.190 31.896 31.700 0.011 0.000 0.951 346 P HA 0.208 nan 4.420 nan 0.000 0.278 346 P C 0.910 178.233 177.300 0.038 0.000 1.238 346 P CA -0.280 62.841 63.100 0.036 0.000 0.794 346 P CB 0.912 32.649 31.700 0.061 0.000 0.955 347 E N 1.727 121.942 120.200 0.025 0.000 2.038 347 E HA -0.103 4.247 4.350 0.001 0.000 0.195 347 E C -0.102 176.528 176.600 0.049 0.000 1.000 347 E CA 0.942 57.355 56.400 0.022 0.000 0.803 347 E CB -0.033 29.666 29.700 -0.002 0.000 0.750 347 E HN 0.380 nan 8.360 nan 0.000 0.448 348 L N 1.197 122.457 121.223 0.061 0.000 2.317 348 L HA 0.281 4.621 4.340 0.001 0.000 0.281 348 L C -0.023 176.968 176.870 0.202 0.000 1.024 348 L CA -0.802 54.117 54.840 0.131 0.000 0.810 348 L CB 1.640 43.734 42.059 0.059 0.000 1.240 348 L HN 0.211 nan 8.230 nan 0.000 0.427 349 L N 3.607 124.976 121.223 0.243 0.000 3.826 349 L HA -0.178 4.162 4.340 0.001 0.000 0.566 349 L C -1.427 175.555 176.870 0.186 0.000 1.217 349 L CA -0.479 54.504 54.840 0.238 0.000 0.823 349 L CB -0.814 41.416 42.059 0.284 0.000 1.381 349 L HN 0.615 nan 8.230 nan 0.000 0.825 350 P HA -0.103 nan 4.420 nan 0.000 0.225 350 P C 1.179 178.574 177.300 0.157 0.000 1.148 350 P CA 0.968 64.144 63.100 0.127 0.000 0.779 350 P CB 0.355 32.112 31.700 0.095 0.000 0.780 351 S N -0.596 115.219 115.700 0.191 0.000 2.575 351 S HA 0.079 4.550 4.470 0.001 0.000 0.215 351 S C 0.812 175.568 174.600 0.260 0.000 0.966 351 S CA -0.427 57.933 58.200 0.266 0.000 0.911 351 S CB -0.642 62.721 63.200 0.272 0.000 0.780 351 S HN 0.071 nan 8.310 nan 0.000 0.514 352 L N 2.359 123.712 121.223 0.217 0.000 2.513 352 L HA 0.420 4.761 4.340 0.001 0.000 0.272 352 L C 1.147 178.151 176.870 0.223 0.000 1.187 352 L CA 1.149 56.118 54.840 0.214 0.000 0.895 352 L CB -0.317 41.857 42.059 0.191 0.000 1.147 352 L HN 0.336 nan 8.230 nan 0.000 0.483 353 G N 2.427 111.368 108.800 0.234 0.000 2.162 353 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 353 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 353 G C 0.406 175.419 174.900 0.189 0.000 0.976 353 G CA 0.354 45.590 45.100 0.226 0.000 0.655 353 G HN 0.836 nan 8.290 nan 0.000 0.533 354 S N -1.585 114.230 115.700 0.192 0.000 2.664 354 S HA 0.654 5.125 4.470 0.001 0.000 0.304 354 S C 0.368 175.094 174.600 0.210 0.000 1.099 354 S CA 0.059 58.306 58.200 0.077 0.000 1.003 354 S CB 0.912 64.068 63.200 -0.074 0.000 1.092 354 S HN 0.931 nan 8.310 nan 0.000 0.525 355 Y N -0.844 119.522 120.300 0.111 0.000 4.177 355 Y HA -0.204 4.346 4.550 0.001 0.000 0.227 355 Y C 0.521 176.501 175.900 0.134 0.000 1.154 355 Y CA 0.212 58.376 58.100 0.106 0.000 1.887 355 Y CB -2.158 36.360 38.460 0.097 0.000 1.594 355 Y HN 0.617 nan 8.280 nan 0.000 0.668 356 I N 0.130 120.847 120.570 0.245 0.000 2.692 356 I HA 0.453 4.624 4.170 0.001 0.000 0.284 356 I C 0.648 176.936 176.117 0.285 0.000 1.159 356 I CA 0.480 61.930 61.300 0.251 0.000 1.423 356 I CB 1.292 39.443 38.000 0.252 0.000 1.380 356 I HN 0.217 nan 8.210 nan 0.000 0.580 357 T N 2.038 116.723 114.554 0.219 0.000 2.876 357 T HA 0.689 5.040 4.350 0.001 0.000 0.289 357 T C -0.676 174.061 174.700 0.061 0.000 1.014 357 T CA -0.684 61.528 62.100 0.186 0.000 0.986 357 T CB 2.103 71.028 68.868 0.095 0.000 1.021 357 T HN 0.836 nan 8.240 nan 0.000 0.458 358 E N 1.199 121.419 120.200 0.032 0.000 2.331 358 E HA 0.339 4.690 4.350 0.001 0.000 0.275 358 E C -1.193 175.530 176.600 0.206 0.000 0.895 358 E CA -0.541 55.836 56.400 -0.038 0.000 0.753 358 E CB 2.040 31.509 29.700 -0.386 0.000 1.216 358 E HN 0.711 nan 8.360 nan 0.000 0.434 359 Q N 1.305 121.237 119.800 0.218 0.000 2.314 359 Q HA 0.423 4.763 4.340 0.001 0.000 0.258 359 Q C -0.408 175.807 176.000 0.357 0.000 0.954 359 Q CA -0.342 55.641 55.803 0.299 0.000 0.890 359 Q CB 1.227 30.173 28.738 0.346 0.000 1.210 359 Q HN 0.481 nan 8.270 nan 0.000 0.410 360 S N 1.745 117.581 115.700 0.227 0.000 2.572 360 S HA 0.282 4.752 4.470 0.001 0.000 0.279 360 S C -0.592 174.067 174.600 0.097 0.000 1.341 360 S CA -0.396 57.797 58.200 -0.012 0.000 1.043 360 S CB 0.359 63.459 63.200 -0.168 0.000 0.887 360 S HN 0.388 nan 8.310 nan 0.000 0.516 361 L N 4.295 125.546 121.223 0.046 0.000 2.438 361 L HA 0.711 5.051 4.340 0.001 0.000 0.270 361 L C -0.783 175.969 176.870 -0.196 0.000 0.972 361 L CA -0.691 54.075 54.840 -0.124 0.000 0.831 361 L CB 1.644 43.608 42.059 -0.157 0.000 1.273 361 L HN 0.481 nan 8.230 nan 0.000 0.405 362 V N 1.996 121.705 119.914 -0.342 0.000 2.769 362 V HA 0.782 4.902 4.120 0.001 0.000 0.312 362 V C -0.988 174.963 176.094 -0.238 0.000 1.058 362 V CA -0.674 61.337 62.300 -0.482 0.000 0.952 362 V CB 1.713 33.037 31.823 -0.832 0.000 1.019 362 V HN 0.849 nan 8.190 nan 0.000 0.445 363 F N 4.063 123.791 119.950 -0.369 0.000 2.619 363 F HA 0.851 5.379 4.527 0.001 0.000 0.308 363 F C -0.465 175.193 175.800 -0.237 0.000 1.097 363 F CA -0.189 57.674 58.000 -0.228 0.000 0.953 363 F CB 1.465 40.376 39.000 -0.148 0.000 1.287 363 F HN 1.215 nan 8.300 nan 0.000 0.446 364 C N 2.842 121.459 119.300 -1.137 0.000 3.332 364 C HA 0.810 5.271 4.460 0.001 0.000 0.329 364 C C -1.702 172.694 174.990 -0.989 0.000 1.434 364 C CA -0.624 57.736 59.018 -1.097 0.000 1.314 364 C CB 1.704 29.049 27.740 -0.658 0.000 1.664 364 C HN 0.985 nan 8.230 nan 0.000 0.457 365 Q N 0.621 120.099 119.800 -0.537 0.000 2.387 365 Q HA 0.757 5.097 4.340 0.001 0.000 0.273 365 Q C -0.449 175.564 176.000 0.022 0.000 1.089 365 Q CA -0.229 55.477 55.803 -0.162 0.000 0.824 365 Q CB 2.687 31.321 28.738 -0.174 0.000 1.367 365 Q HN 0.945 nan 8.270 nan 0.000 0.443 366 T N -2.532 112.112 114.554 0.150 0.000 2.932 366 T HA 0.719 5.070 4.350 0.001 0.000 0.289 366 T C -0.574 174.172 174.700 0.076 0.000 1.039 366 T CA -0.708 61.453 62.100 0.100 0.000 1.024 366 T CB 1.253 70.195 68.868 0.124 0.000 1.090 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 2.675 122.601 119.914 0.021 0.000 2.409 367 V HA 0.413 4.533 4.120 0.001 0.000 0.291 367 V C 0.220 176.315 176.094 0.001 0.000 1.020 367 V CA -0.930 61.375 62.300 0.009 0.000 0.848 367 V CB 1.236 33.055 31.823 -0.007 0.000 0.990 367 V HN 1.043 nan 8.190 nan 0.000 0.430 368 M N 4.900 124.509 119.600 0.015 0.000 2.261 368 M HA 0.103 4.583 4.480 0.001 0.000 0.350 368 M C 0.900 177.199 176.300 -0.002 0.000 1.343 368 M CA 0.678 55.990 55.300 0.019 0.000 1.003 368 M CB 0.585 33.196 32.600 0.018 0.000 1.848 368 M HN 0.937 nan 8.290 nan 0.000 0.456 369 S N 2.692 118.388 115.700 -0.007 0.000 2.563 369 S HA 0.023 4.493 4.470 0.001 0.000 0.284 369 S C 1.037 175.632 174.600 -0.008 0.000 1.331 369 S CA -0.022 58.166 58.200 -0.020 0.000 1.047 369 S CB 0.379 63.563 63.200 -0.027 0.000 0.859 369 S HN 0.817 nan 8.310 nan 0.000 0.514 370 T N 2.101 116.647 114.554 -0.013 0.000 2.665 370 T HA -0.166 4.184 4.350 0.001 0.000 0.268 370 T C 1.651 176.353 174.700 0.003 0.000 1.035 370 T CA 1.973 64.071 62.100 -0.005 0.000 1.151 370 T CB -0.539 68.324 68.868 -0.009 0.000 0.862 370 T HN 0.775 nan 8.240 nan 0.000 0.438 371 E N 0.637 120.836 120.200 -0.003 0.000 2.058 371 E HA -0.097 4.254 4.350 0.001 0.000 0.194 371 E C 2.308 178.920 176.600 0.021 0.000 0.997 371 E CA 0.979 57.381 56.400 0.004 0.000 0.801 371 E CB -0.331 29.364 29.700 -0.008 0.000 0.746 371 E HN 0.433 nan 8.360 nan 0.000 0.450 372 L N 0.764 122.002 121.223 0.024 0.000 2.046 372 L HA -0.199 4.142 4.340 0.001 0.000 0.208 372 L C 2.466 179.372 176.870 0.061 0.000 1.077 372 L CA 0.547 55.416 54.840 0.049 0.000 0.747 372 L CB -0.286 41.801 42.059 0.047 0.000 0.896 372 L HN 0.198 nan 8.230 nan 0.000 0.432 373 I N -0.090 120.502 120.570 0.037 0.000 2.179 373 I HA -0.283 3.887 4.170 0.001 0.000 0.242 373 I C 2.175 178.319 176.117 0.046 0.000 1.088 373 I CA 1.524 62.842 61.300 0.031 0.000 1.357 373 I CB -1.107 36.901 38.000 0.012 0.000 1.051 373 I HN 0.279 nan 8.210 nan 0.000 0.409 374 D N 0.771 121.197 120.400 0.042 0.000 2.149 374 D HA -0.151 4.489 4.640 0.001 0.000 0.198 374 D C 2.368 178.712 176.300 0.073 0.000 0.990 374 D CA 1.718 55.746 54.000 0.048 0.000 0.839 374 D CB -0.141 40.678 40.800 0.033 0.000 0.948 374 D HN 0.368 nan 8.370 nan 0.000 0.460 375 S N 0.005 115.758 115.700 0.088 0.000 2.419 375 S HA -0.142 4.329 4.470 0.001 0.000 0.235 375 S C 2.159 176.905 174.600 0.244 0.000 1.019 375 S CA 0.998 59.283 58.200 0.141 0.000 0.982 375 S CB -0.583 62.692 63.200 0.124 0.000 0.789 375 S HN 0.105 nan 8.310 nan 0.000 0.490 376 V N 2.944 122.975 119.914 0.195 0.000 2.407 376 V HA -0.154 3.967 4.120 0.001 0.000 0.248 376 V C 2.178 178.378 176.094 0.176 0.000 1.055 376 V CA 2.094 64.528 62.300 0.224 0.000 1.049 376 V CB -0.858 31.020 31.823 0.092 0.000 0.662 376 V HN 0.814 nan 8.190 nan 0.000 0.455 377 K N 0.527 121.000 120.400 0.122 0.000 2.493 377 K HA 0.178 4.499 4.320 0.001 0.000 0.207 377 K C 1.542 178.199 176.600 0.094 0.000 1.033 377 K CA 0.660 57.005 56.287 0.096 0.000 1.161 377 K CB 0.128 32.672 32.500 0.073 0.000 0.873 377 K HN 0.433 nan 8.250 nan 0.000 0.491 378 S N 0.707 116.484 115.700 0.128 0.000 2.419 378 S HA -0.152 4.319 4.470 0.001 0.000 0.233 378 S C 0.945 175.570 174.600 0.041 0.000 1.016 378 S CA 1.170 59.414 58.200 0.074 0.000 0.974 378 S CB -0.213 63.016 63.200 0.047 0.000 0.786 378 S HN 0.307 nan 8.310 nan 0.000 0.492 379 D N 0.753 121.188 120.400 0.058 0.000 2.339 379 D HA 0.218 4.859 4.640 0.001 0.000 0.217 379 D C 0.178 176.520 176.300 0.070 0.000 1.050 379 D CA 0.299 54.320 54.000 0.034 0.000 0.856 379 D CB -0.016 40.787 40.800 0.004 0.000 0.922 379 D HN 0.374 nan 8.370 nan 0.000 0.518 380 M N 0.503 120.142 119.600 0.065 0.000 2.249 380 M HA 0.226 4.707 4.480 0.001 0.000 0.351 380 M C 0.249 176.578 176.300 0.048 0.000 1.180 380 M CA 0.041 55.387 55.300 0.076 0.000 1.127 380 M CB 1.053 33.689 32.600 0.059 0.000 1.546 380 M HN -0.328 nan 8.290 nan 0.000 0.461 381 T N 4.220 118.797 114.554 0.038 0.000 2.767 381 T HA 0.658 5.008 4.350 0.001 0.000 0.284 381 T C 0.028 174.708 174.700 -0.033 0.000 0.973 381 T CA -0.340 61.763 62.100 0.005 0.000 0.996 381 T CB 0.578 69.446 68.868 -0.001 0.000 0.927 381 T HN 0.429 nan 8.240 nan 0.000 0.456 382 I N 3.303 123.852 120.570 -0.035 0.000 2.382 382 I HA 0.412 4.582 4.170 0.001 0.000 0.286 382 I C 0.354 176.433 176.117 -0.064 0.000 1.002 382 I CA -0.616 60.634 61.300 -0.084 0.000 1.135 382 I CB 1.143 39.138 38.000 -0.007 0.000 1.288 382 I HN 0.241 nan 8.210 nan 0.000 0.448 383 R N 5.192 125.613 120.500 -0.132 0.000 2.338 383 R HA 0.689 5.030 4.340 0.001 0.000 0.317 383 R C 0.211 176.514 176.300 0.005 0.000 0.968 383 R CA 0.304 56.370 56.100 -0.057 0.000 0.849 383 R CB 1.466 31.726 30.300 -0.067 0.000 1.128 383 R HN 0.887 nan 8.270 nan 0.000 0.448 384 G N 2.062 110.912 108.800 0.084 0.000 2.568 384 G HA2 -0.255 3.705 3.960 0.001 0.000 0.222 384 G HA3 -0.255 3.705 3.960 0.001 0.000 0.222 384 G C -1.074 173.964 174.900 0.230 0.000 1.321 384 G CA -0.234 44.955 45.100 0.148 0.000 0.893 384 G HN 0.646 nan 8.290 nan 0.000 0.569 385 T N 0.632 115.308 114.554 0.204 0.000 2.861 385 T HA 0.685 5.035 4.350 0.001 0.000 0.287 385 T C -2.891 171.739 174.700 -0.117 0.000 1.003 385 T CA -1.233 60.913 62.100 0.077 0.000 0.977 385 T CB 2.341 71.218 68.868 0.015 0.000 0.996 385 T HN 0.539 nan 8.240 nan 0.000 0.448 386 P HA 0.202 nan 4.420 nan 0.000 0.266 386 P C 1.285 178.365 177.300 -0.366 0.000 1.186 386 P CA 1.280 63.859 63.100 -0.868 0.000 0.767 386 P CB 0.123 31.455 31.700 -0.614 0.000 0.820 387 G N 1.178 109.805 108.800 -0.288 0.000 2.304 387 G HA2 -0.249 3.711 3.960 0.001 0.000 0.252 387 G HA3 -0.249 3.711 3.960 0.001 0.000 0.252 387 G C 0.068 174.936 174.900 -0.054 0.000 1.014 387 G CA 0.022 45.048 45.100 -0.123 0.000 0.619 387 G HN 0.580 nan 8.290 nan 0.000 0.525 388 E N 0.463 120.643 120.200 -0.033 0.000 2.312 388 E HA 0.542 4.893 4.350 0.001 0.000 0.259 388 E C 1.403 178.036 176.600 0.055 0.000 1.122 388 E CA -0.754 55.656 56.400 0.017 0.000 0.922 388 E CB 0.568 30.285 29.700 0.030 0.000 1.109 388 E HN 0.023 nan 8.360 nan 0.000 0.442 389 L N 0.545 121.795 121.223 0.045 0.000 2.217 389 L HA -0.078 4.263 4.340 0.001 0.000 0.211 389 L C 2.008 178.915 176.870 0.062 0.000 1.107 389 L CA 1.504 56.372 54.840 0.047 0.000 0.783 389 L CB -2.000 40.076 42.059 0.028 0.000 0.919 389 L HN 0.639 nan 8.230 nan 0.000 0.442 390 T N -4.649 109.947 114.554 0.071 0.000 3.144 390 T HA -0.005 4.345 4.350 0.001 0.000 0.249 390 T C 0.502 175.262 174.700 0.099 0.000 1.089 390 T CA -0.402 61.736 62.100 0.064 0.000 0.989 390 T CB -0.662 68.235 68.868 0.047 0.000 0.992 390 T HN 0.066 nan 8.240 nan 0.000 0.540 391 Y N 2.784 123.083 120.300 -0.002 0.000 2.544 391 Y HA 0.432 4.983 4.550 0.001 0.000 0.330 391 Y C 0.187 176.088 175.900 0.001 0.000 1.136 391 Y CA -0.697 57.403 58.100 -0.000 0.000 1.417 391 Y CB 0.401 38.858 38.460 -0.004 0.000 1.229 391 Y HN 0.202 nan 8.280 nan 0.000 0.532 392 S N 5.373 120.795 115.700 -0.464 0.000 2.614 392 S HA 0.696 5.167 4.470 0.001 0.000 0.288 392 S C -1.939 172.372 174.600 -0.482 0.000 1.137 392 S CA -0.709 57.281 58.200 -0.350 0.000 0.992 392 S CB 0.692 63.796 63.200 -0.161 0.000 1.026 392 S HN 0.452 nan 8.310 nan 0.000 0.486 393 V N 4.777 124.480 119.914 -0.350 0.000 2.409 393 V HA 0.746 4.866 4.120 0.001 0.000 0.291 393 V C 0.219 176.282 176.094 -0.052 0.000 1.020 393 V CA -0.419 61.758 62.300 -0.204 0.000 0.848 393 V CB 1.266 33.001 31.823 -0.146 0.000 0.990 393 V HN 1.017 nan 8.190 nan 0.000 0.430 394 T N 1.934 116.485 114.554 -0.004 0.000 2.896 394 T HA 0.868 5.219 4.350 0.001 0.000 0.297 394 T C -1.070 173.717 174.700 0.145 0.000 1.108 394 T CA -0.731 61.389 62.100 0.034 0.000 1.004 394 T CB 2.326 71.167 68.868 -0.045 0.000 1.159 394 T HN 0.826 nan 8.240 nan 0.000 0.499 395 Y N -1.812 118.478 120.300 -0.016 0.000 2.625 395 Y HA 0.751 5.302 4.550 0.001 0.000 0.338 395 Y C -0.848 175.045 175.900 -0.011 0.000 1.123 395 Y CA -1.299 56.795 58.100 -0.011 0.000 1.046 395 Y CB 0.881 39.343 38.460 0.002 0.000 1.299 395 Y HN 0.636 nan 8.280 nan 0.000 0.464 396 T N 4.605 119.164 114.554 0.009 0.000 2.762 396 T HA 0.385 4.735 4.350 0.001 0.000 0.303 396 T C -2.717 171.996 174.700 0.022 0.000 0.977 396 T CA -1.258 60.800 62.100 -0.070 0.000 0.961 396 T CB 0.443 69.303 68.868 -0.013 0.000 0.944 396 T HN 0.362 nan 8.240 nan 0.000 0.481 397 P HA 0.217 nan 4.420 nan 0.000 0.267 397 P C 1.187 178.529 177.300 0.071 0.000 1.200 397 P CA 0.561 63.724 63.100 0.105 0.000 0.772 397 P CB 0.355 32.074 31.700 0.033 0.000 0.855 398 G N 1.184 110.036 108.800 0.088 0.000 2.220 398 G HA2 -0.277 3.683 3.960 0.001 0.000 0.269 398 G HA3 -0.277 3.683 3.960 0.001 0.000 0.269 398 G C 0.525 175.437 174.900 0.021 0.000 0.977 398 G CA 0.181 45.308 45.100 0.044 0.000 0.634 398 G HN 0.888 nan 8.290 nan 0.000 0.539 399 A N 0.577 123.412 122.820 0.025 0.000 2.565 399 A HA 0.544 4.865 4.320 0.001 0.000 0.237 399 A C 1.842 179.418 177.584 -0.013 0.000 1.053 399 A CA 1.465 53.505 52.037 0.005 0.000 0.755 399 A CB 0.188 19.195 19.000 0.012 0.000 0.980 399 A HN 1.828 nan 8.150 nan 0.000 0.506 400 S N 1.528 117.216 115.700 -0.019 0.000 2.423 400 S HA -0.155 4.316 4.470 0.001 0.000 0.231 400 S C 1.430 176.003 174.600 -0.046 0.000 1.014 400 S CA 1.714 59.896 58.200 -0.030 0.000 0.965 400 S CB -0.806 62.380 63.200 -0.024 0.000 0.785 400 S HN 1.206 nan 8.310 nan 0.000 0.495 401 T N -0.921 113.607 114.554 -0.044 0.000 3.100 401 T HA 0.211 4.562 4.350 0.001 0.000 0.253 401 T C 0.411 175.061 174.700 -0.083 0.000 1.118 401 T CA -0.385 61.680 62.100 -0.058 0.000 1.058 401 T CB -0.615 68.228 68.868 -0.042 0.000 0.953 401 T HN 0.217 nan 8.240 nan 0.000 0.515 402 N N 2.280 120.931 118.700 -0.082 0.000 2.454 402 N HA 0.218 4.958 4.740 0.001 0.000 0.260 402 N C 0.725 176.098 175.510 -0.229 0.000 1.218 402 N CA -0.027 52.949 53.050 -0.124 0.000 0.904 402 N CB 1.154 39.591 38.487 -0.084 0.000 1.065 402 N HN 0.207 nan 8.380 nan 0.000 0.462 403 K N 1.103 121.285 120.400 -0.363 0.000 2.366 403 K HA 0.073 4.393 4.320 0.001 0.000 0.198 403 K C -0.058 175.988 176.600 -0.923 0.000 1.044 403 K CA 0.857 56.779 56.287 -0.609 0.000 0.973 403 K CB 0.115 32.172 32.500 -0.738 0.000 0.767 403 K HN 0.552 nan 8.250 nan 0.000 0.475 404 H N -0.886 117.884 119.070 -0.500 0.000 2.797 404 H HA 0.314 4.871 4.556 0.001 0.000 0.372 404 H C -2.473 172.540 175.328 -0.526 0.000 1.168 404 H CA -2.622 52.969 56.048 -0.761 0.000 1.163 404 H CB 1.329 30.273 29.762 -1.363 0.000 1.778 404 H HN -0.150 nan 8.280 nan 0.000 0.551 405 P HA 0.027 nan 4.420 nan 0.000 0.274 405 P C 0.236 177.344 177.300 -0.320 0.000 1.246 405 P CA -0.246 62.666 63.100 -0.313 0.000 0.795 405 P CB 1.387 32.870 31.700 -0.361 0.000 1.006 406 D N 0.331 120.674 120.400 -0.095 0.000 2.123 406 D HA -0.143 4.497 4.640 0.001 0.000 0.196 406 D C 1.913 178.232 176.300 0.032 0.000 0.992 406 D CA 1.362 55.385 54.000 0.037 0.000 0.833 406 D CB -0.513 40.401 40.800 0.189 0.000 0.954 406 D HN 0.608 nan 8.370 nan 0.000 0.455 407 W N 0.219 121.593 121.300 0.123 0.000 2.363 407 W HA -0.139 4.521 4.660 0.001 0.000 0.296 407 W C 1.966 178.558 176.519 0.123 0.000 1.212 407 W CA 0.166 57.579 57.345 0.112 0.000 1.260 407 W CB -1.384 28.136 29.460 0.100 0.000 1.131 407 W HN 0.065 nan 8.180 nan 0.000 0.530 408 W N 3.550 124.350 121.300 -0.834 0.000 2.378 408 W HA -0.180 4.481 4.660 0.001 0.000 0.313 408 W C 1.861 178.101 176.519 -0.465 0.000 1.197 408 W CA 1.801 58.659 57.345 -0.812 0.000 1.304 408 W CB -1.053 27.685 29.460 -1.203 0.000 1.148 408 W HN -0.109 nan 8.180 nan 0.000 0.494 409 N N 0.970 119.583 118.700 -0.144 0.000 2.223 409 N HA -0.198 4.542 4.740 0.001 0.000 0.185 409 N C 1.511 176.732 175.510 -0.482 0.000 1.016 409 N CA 1.904 54.673 53.050 -0.468 0.000 0.863 409 N CB -0.593 37.209 38.487 -1.142 0.000 0.983 409 N HN 0.282 nan 8.380 nan 0.000 0.429 410 E N 1.469 121.537 120.200 -0.220 0.000 2.047 410 E HA -0.062 4.288 4.350 0.001 0.000 0.191 410 E C 1.651 178.300 176.600 0.082 0.000 0.987 410 E CA 1.290 57.743 56.400 0.088 0.000 0.799 410 E CB 0.038 29.868 29.700 0.216 0.000 0.752 410 E HN 0.211 nan 8.360 nan 0.000 0.449 411 K N -0.396 120.041 120.400 0.062 0.000 2.032 411 K HA -0.134 4.187 4.320 0.001 0.000 0.209 411 K C 2.115 178.718 176.600 0.004 0.000 1.048 411 K CA 1.590 57.901 56.287 0.040 0.000 0.927 411 K CB -0.223 32.287 32.500 0.016 0.000 0.712 411 K HN 0.039 nan 8.250 nan 0.000 0.441 412 V N 1.887 121.766 119.914 -0.059 0.000 2.307 412 V HA -0.250 3.870 4.120 0.001 0.000 0.245 412 V C 2.392 178.519 176.094 0.055 0.000 1.045 412 V CA 1.635 63.915 62.300 -0.033 0.000 1.024 412 V CB -0.442 31.347 31.823 -0.056 0.000 0.651 412 V HN 0.353 nan 8.190 nan 0.000 0.449 413 K N 0.364 120.795 120.400 0.051 0.000 2.032 413 K HA -0.245 4.076 4.320 0.001 0.000 0.209 413 K C 1.979 178.641 176.600 0.103 0.000 1.048 413 K CA 2.058 58.408 56.287 0.105 0.000 0.927 413 K CB -0.269 32.360 32.500 0.216 0.000 0.712 413 K HN 0.422 nan 8.250 nan 0.000 0.441 414 N N 0.339 119.108 118.700 0.115 0.000 2.188 414 N HA -0.164 4.576 4.740 0.001 0.000 0.184 414 N C 1.775 177.360 175.510 0.124 0.000 1.018 414 N CA 1.315 54.431 53.050 0.110 0.000 0.858 414 N CB -0.604 37.953 38.487 0.118 0.000 0.989 414 N HN 0.453 nan 8.380 nan 0.000 0.426 415 H N 0.524 119.629 119.070 0.058 0.000 2.321 415 H HA 0.109 4.666 4.556 0.001 0.000 0.300 415 H C 2.033 177.415 175.328 0.091 0.000 1.087 415 H CA 1.678 57.765 56.048 0.065 0.000 1.319 415 H CB -0.078 29.621 29.762 -0.105 0.000 1.379 415 H HN 0.083 nan 8.280 nan 0.000 0.501 416 M N -1.012 118.577 119.600 -0.018 0.000 2.229 416 M HA -0.101 4.380 4.480 0.001 0.000 0.264 416 M C 2.179 178.527 176.300 0.080 0.000 1.063 416 M CA 1.493 56.796 55.300 0.005 0.000 1.114 416 M CB -0.027 32.641 32.600 0.114 0.000 1.387 416 M HN 0.388 nan 8.290 nan 0.000 0.420 417 M N 0.622 120.259 119.600 0.061 0.000 2.193 417 M HA -0.149 4.331 4.480 0.001 0.000 0.265 417 M C 2.121 178.430 176.300 0.015 0.000 1.071 417 M CA 1.583 56.931 55.300 0.080 0.000 1.140 417 M CB -0.105 32.519 32.600 0.040 0.000 1.369 417 M HN 0.260 nan 8.290 nan 0.000 0.423 418 Q N -1.720 118.032 119.800 -0.080 0.000 2.360 418 Q HA 0.002 4.343 4.340 0.001 0.000 0.202 418 Q C -0.446 175.224 176.000 -0.551 0.000 0.915 418 Q CA 0.589 56.239 55.803 -0.254 0.000 0.943 418 Q CB -0.021 28.565 28.738 -0.253 0.000 1.064 418 Q HN 0.530 nan 8.270 nan 0.000 0.511 419 H N 1.370 120.371 119.070 -0.116 0.000 2.379 419 H HA 0.251 4.807 4.556 0.001 0.000 0.229 419 H C -0.056 175.189 175.328 -0.140 0.000 1.423 419 H CA -0.200 55.779 56.048 -0.115 0.000 1.375 419 H CB 0.780 30.429 29.762 -0.188 0.000 1.592 419 H HN 0.350 nan 8.280 nan 0.000 0.507 420 Q N 0.611 120.390 119.800 -0.036 0.000 2.435 420 Q HA -0.094 4.246 4.340 0.001 0.000 0.207 420 Q C 1.810 177.747 176.000 -0.105 0.000 0.956 420 Q CA 0.656 56.392 55.803 -0.112 0.000 0.917 420 Q CB 0.455 29.071 28.738 -0.204 0.000 0.997 420 Q HN 0.504 nan 8.270 nan 0.000 0.497 421 E N 1.157 121.346 120.200 -0.017 0.000 2.435 421 E HA -0.100 4.251 4.350 0.001 0.000 0.195 421 E C -0.359 176.269 176.600 0.047 0.000 1.029 421 E CA 0.492 56.897 56.400 0.009 0.000 0.865 421 E CB 0.041 29.767 29.700 0.044 0.000 0.833 421 E HN 0.163 nan 8.360 nan 0.000 0.510 422 D N 2.032 122.476 120.400 0.072 0.000 2.249 422 D HA 0.131 4.771 4.640 0.001 0.000 0.246 422 D C -1.621 174.719 176.300 0.067 0.000 1.114 422 D CA -2.100 51.969 54.000 0.116 0.000 0.854 422 D CB 1.626 42.528 40.800 0.170 0.000 1.132 422 D HN -0.155 nan 8.370 nan 0.000 0.461 423 P HA 0.115 nan 4.420 nan 0.000 0.249 423 P C -0.261 177.073 177.300 0.056 0.000 1.229 423 P CA 0.154 63.283 63.100 0.049 0.000 0.788 423 P CB 0.384 32.106 31.700 0.037 0.000 1.072 424 L N 1.741 123.009 121.223 0.074 0.000 2.334 424 L HA 0.385 4.725 4.340 0.001 0.000 0.273 424 L C -1.403 175.500 176.870 0.055 0.000 1.013 424 L CA -2.300 52.561 54.840 0.035 0.000 0.816 424 L CB 2.624 44.672 42.059 -0.017 0.000 1.278 424 L HN -0.303 nan 8.230 nan 0.000 0.431 425 P HA 0.073 nan 4.420 nan 0.000 0.245 425 P C 0.238 177.430 177.300 -0.181 0.000 1.206 425 P CA 0.533 63.640 63.100 0.011 0.000 0.781 425 P CB 0.418 32.122 31.700 0.006 0.000 0.994 426 I N 2.328 122.693 120.570 -0.341 0.000 2.371 426 I HA 0.204 4.374 4.170 0.001 0.000 0.290 426 I C -2.139 173.454 176.117 -0.874 0.000 1.028 426 I CA -2.707 58.308 61.300 -0.473 0.000 1.345 426 I CB 0.657 38.471 38.000 -0.311 0.000 1.407 426 I HN -0.226 nan 8.210 nan 0.000 0.501 427 P HA 0.027 nan 4.420 nan 0.000 0.269 427 P C 0.270 177.287 177.300 -0.472 0.000 1.209 427 P CA -0.044 62.632 63.100 -0.708 0.000 0.776 427 P CB 0.364 31.911 31.700 -0.256 0.000 0.876 428 F N 0.651 120.445 119.950 -0.261 0.000 2.161 428 F HA -0.125 4.403 4.527 0.001 0.000 0.300 428 F C 1.726 177.469 175.800 -0.095 0.000 1.089 428 F CA 1.592 59.497 58.000 -0.158 0.000 1.282 428 F CB -0.807 38.120 39.000 -0.122 0.000 1.010 428 F HN 0.397 nan 8.300 nan 0.000 0.485 429 E N -0.182 120.085 120.200 0.111 0.000 2.394 429 E HA 0.001 4.351 4.350 0.001 0.000 0.191 429 E C -0.306 176.306 176.600 0.019 0.000 1.044 429 E CA -0.221 56.220 56.400 0.067 0.000 0.939 429 E CB -0.251 29.493 29.700 0.073 0.000 1.089 429 E HN 0.211 nan 8.360 nan 0.000 0.456 430 D N 2.452 122.839 120.400 -0.022 0.000 2.417 430 D HA 0.032 4.672 4.640 0.001 0.000 0.250 430 D C -2.286 174.024 176.300 0.016 0.000 1.166 430 D CA -1.535 52.442 54.000 -0.038 0.000 0.881 430 D CB 0.837 41.571 40.800 -0.109 0.000 1.164 430 D HN -0.123 nan 8.370 nan 0.000 0.467 431 P HA 0.071 nan 4.420 nan 0.000 0.271 431 P C -0.408 177.002 177.300 0.184 0.000 1.233 431 P CA -0.376 62.814 63.100 0.151 0.000 0.789 431 P CB 0.363 32.166 31.700 0.171 0.000 0.951 432 E N 1.750 122.079 120.200 0.215 0.000 2.371 432 E HA 0.213 4.563 4.350 0.001 0.000 0.257 432 E C -2.464 174.171 176.600 0.058 0.000 1.134 432 E CA -1.991 54.463 56.400 0.090 0.000 0.919 432 E CB -0.771 28.942 29.700 0.022 0.000 1.025 432 E HN 0.224 nan 8.360 nan 0.000 0.438 433 P HA 0.074 nan 4.420 nan 0.000 0.272 433 P C -0.546 176.755 177.300 0.002 0.000 1.223 433 P CA -0.016 63.157 63.100 0.122 0.000 0.784 433 P CB 0.459 32.176 31.700 0.030 0.000 0.923 434 Q N 1.120 121.011 119.800 0.152 0.000 3.662 434 Q HA 0.322 4.662 4.340 0.001 0.000 0.237 434 Q C -1.098 174.991 176.000 0.149 0.000 0.895 434 Q CA -0.332 55.444 55.803 -0.045 0.000 0.767 434 Q CB 1.330 29.796 28.738 -0.453 0.000 1.469 434 Q HN 0.192 nan 8.270 nan 0.000 0.424 435 V N 0.618 120.577 119.914 0.075 0.000 2.628 435 V HA 0.749 4.869 4.120 0.001 0.000 0.306 435 V C 0.072 176.181 176.094 0.024 0.000 1.045 435 V CA -0.443 61.904 62.300 0.077 0.000 0.905 435 V CB 2.131 33.938 31.823 -0.028 0.000 0.997 435 V HN 0.471 nan 8.190 nan 0.000 0.436 436 T N 1.766 116.371 114.554 0.085 0.000 2.900 436 T HA 0.512 4.862 4.350 0.001 0.000 0.303 436 T C -0.987 173.674 174.700 -0.066 0.000 1.142 436 T CA -0.311 61.787 62.100 -0.002 0.000 1.007 436 T CB 1.881 70.741 68.868 -0.013 0.000 1.156 436 T HN 0.830 nan 8.240 nan 0.000 0.490 437 T N 4.523 118.894 114.554 -0.305 0.000 2.791 437 T HA 0.610 4.961 4.350 0.001 0.000 0.288 437 T C -0.202 174.363 174.700 -0.226 0.000 0.999 437 T CA -0.624 61.131 62.100 -0.575 0.000 0.952 437 T CB -0.082 67.998 68.868 -1.314 0.000 0.938 437 T HN 0.515 nan 8.240 nan 0.000 0.444 438 L N 4.456 125.623 121.223 -0.092 0.000 2.452 438 L HA 0.408 4.748 4.340 0.001 0.000 0.267 438 L C 0.739 177.621 176.870 0.020 0.000 1.188 438 L CA -0.973 53.895 54.840 0.048 0.000 0.821 438 L CB 0.203 42.282 42.059 0.034 0.000 1.102 438 L HN 0.631 nan 8.230 nan 0.000 0.470 439 F N 3.002 122.885 119.950 -0.112 0.000 2.537 439 F HA -0.123 4.405 4.527 0.001 0.000 0.402 439 F C 0.323 175.869 175.800 -0.422 0.000 1.005 439 F CA 0.718 58.558 58.000 -0.266 0.000 1.203 439 F CB 0.070 38.962 39.000 -0.180 0.000 0.955 439 F HN 0.411 nan 8.300 nan 0.000 0.547 440 Q N 6.756 126.080 119.800 -0.793 0.000 2.495 440 Q HA 0.281 4.622 4.340 0.001 0.000 0.287 440 Q C -1.981 173.601 176.000 -0.697 0.000 1.078 440 Q CA -1.775 53.649 55.803 -0.631 0.000 0.793 440 Q CB 1.355 29.572 28.738 -0.868 0.000 1.459 440 Q HN 0.225 nan 8.270 nan 0.000 0.422 441 P HA -0.162 nan 4.420 nan 0.000 0.218 441 P C 1.113 178.206 177.300 -0.344 0.000 1.148 441 P CA 1.754 64.693 63.100 -0.267 0.000 0.822 441 P CB 0.256 31.885 31.700 -0.119 0.000 0.784 442 S N -1.539 113.954 115.700 -0.346 0.000 2.527 442 S HA -0.081 4.389 4.470 0.001 0.000 0.222 442 S C 0.517 174.938 174.600 -0.298 0.000 0.985 442 S CA 0.085 58.161 58.200 -0.207 0.000 0.921 442 S CB -1.228 61.951 63.200 -0.034 0.000 0.772 442 S HN 0.424 nan 8.310 nan 0.000 0.529 443 H N -1.247 117.389 119.070 -0.724 0.000 2.596 443 H HA 0.468 5.024 4.556 0.001 0.000 0.240 443 H C -3.262 170.889 175.328 -1.961 0.000 1.406 443 H CA -1.792 53.424 56.048 -1.388 0.000 1.504 443 H CB 0.417 29.668 29.762 -0.852 0.000 1.688 443 H HN 0.065 nan 8.280 nan 0.000 0.546 444 P HA 0.093 nan 4.420 nan 0.000 0.220 444 P C -1.255 175.355 177.300 -1.149 0.000 1.806 444 P CA 0.187 62.149 63.100 -1.896 0.000 0.976 444 P CB -1.033 30.150 31.700 -0.861 0.000 1.952 445 W N -0.145 120.749 121.300 -0.677 0.000 3.213 445 W HA 0.518 5.178 4.660 0.001 0.000 0.318 445 W C -0.949 175.616 176.519 0.075 0.000 1.248 445 W CA -1.261 56.050 57.345 -0.057 0.000 1.187 445 W CB 0.052 29.527 29.460 0.026 0.000 1.403 445 W HN 0.005 nan 8.180 nan 0.000 0.556 446 H N 1.052 120.378 119.070 0.425 0.000 2.505 446 H HA 0.707 5.264 4.556 0.001 0.000 0.351 446 H C -0.186 175.293 175.328 0.251 0.000 1.151 446 H CA 0.458 56.669 56.048 0.271 0.000 1.339 446 H CB 1.501 31.387 29.762 0.206 0.000 1.483 446 H HN 0.580 nan 8.280 nan 0.000 0.558 447 T N 2.051 116.269 114.554 -0.560 0.000 2.893 447 T HA 0.510 4.861 4.350 0.001 0.000 0.293 447 T C -0.803 173.592 174.700 -0.508 0.000 1.027 447 T CA -1.109 60.680 62.100 -0.519 0.000 0.988 447 T CB 1.617 70.089 68.868 -0.660 0.000 1.043 447 T HN 0.670 nan 8.240 nan 0.000 0.461 448 Q N 1.868 121.558 119.800 -0.182 0.000 2.285 448 Q HA 0.576 4.916 4.340 0.001 0.000 0.269 448 Q C -1.200 174.675 176.000 -0.208 0.000 1.030 448 Q CA -0.669 54.942 55.803 -0.320 0.000 0.788 448 Q CB 2.698 31.105 28.738 -0.552 0.000 1.266 448 Q HN 0.722 nan 8.270 nan 0.000 0.438 449 I N 3.654 124.068 120.570 -0.260 0.000 2.563 449 I HA 0.349 4.520 4.170 0.001 0.000 0.276 449 I C -0.454 175.543 176.117 -0.200 0.000 1.074 449 I CA -0.272 60.762 61.300 -0.442 0.000 1.124 449 I CB 0.429 38.047 38.000 -0.637 0.000 1.225 449 I HN 0.767 nan 8.210 nan 0.000 0.482 450 H N 3.609 122.486 119.070 -0.322 0.000 3.150 450 H HA 0.666 5.222 4.556 0.001 0.000 0.270 450 H C -1.176 174.066 175.328 -0.142 0.000 1.573 450 H CA -1.335 54.596 56.048 -0.195 0.000 1.195 450 H CB 1.443 31.116 29.762 -0.150 0.000 1.874 450 H HN 0.093 nan 8.280 nan 0.000 0.691 451 R N 1.291 121.608 120.500 -0.305 0.000 2.575 451 R HA 0.275 4.616 4.340 0.001 0.000 0.293 451 R C -1.470 174.575 176.300 -0.426 0.000 0.983 451 R CA -0.558 55.337 56.100 -0.342 0.000 0.887 451 R CB 1.822 32.054 30.300 -0.113 0.000 1.184 451 R HN 0.933 nan 8.270 nan 0.000 0.445 452 D N 0.616 120.777 120.400 -0.398 0.000 2.714 452 D HA 0.464 5.105 4.640 0.001 0.000 0.278 452 D C -0.555 175.723 176.300 -0.036 0.000 1.102 452 D CA -0.783 53.087 54.000 -0.217 0.000 1.108 452 D CB 0.496 41.166 40.800 -0.217 0.000 1.444 452 D HN 0.370 nan 8.370 nan 0.000 0.568 453 A N -0.491 122.332 122.820 0.005 0.000 2.540 453 A HA 0.415 4.736 4.320 0.001 0.000 0.239 453 A C -0.823 176.836 177.584 0.124 0.000 1.061 453 A CA 0.139 52.230 52.037 0.091 0.000 0.758 453 A CB -0.713 18.366 19.000 0.133 0.000 0.991 453 A HN 0.462 nan 8.150 nan 0.000 0.502 454 F N 1.697 121.591 119.950 -0.094 0.000 2.608 454 F HA 0.463 4.990 4.527 0.001 0.000 0.309 454 F C 0.297 175.915 175.800 -0.303 0.000 1.103 454 F CA -0.157 57.672 58.000 -0.285 0.000 0.954 454 F CB 1.997 40.679 39.000 -0.531 0.000 1.267 454 F HN 0.549 nan 8.300 nan 0.000 0.444 455 S N 5.287 120.467 115.700 -0.867 0.000 2.642 455 S HA 0.370 4.841 4.470 0.001 0.000 0.309 455 S C -1.099 173.211 174.600 -0.484 0.000 1.125 455 S CA -0.308 57.593 58.200 -0.498 0.000 1.055 455 S CB -0.669 62.296 63.200 -0.392 0.000 1.157 455 S HN 0.455 nan 8.310 nan 0.000 0.513 456 Y N 2.913 123.264 120.300 0.085 0.000 2.442 456 Y HA 0.414 4.965 4.550 0.001 0.000 0.330 456 Y C 1.602 177.559 175.900 0.095 0.000 1.129 456 Y CA 0.487 58.721 58.100 0.223 0.000 1.365 456 Y CB 0.341 38.944 38.460 0.239 0.000 1.233 456 Y HN 0.817 nan 8.280 nan 0.000 0.529 457 G N 1.323 110.267 108.800 0.241 0.000 2.664 457 G HA2 0.242 4.202 3.960 0.001 0.000 0.242 457 G HA3 0.242 4.202 3.960 0.001 0.000 0.242 457 G C 0.896 175.886 174.900 0.150 0.000 1.225 457 G CA -0.047 45.141 45.100 0.146 0.000 0.849 457 G HN 0.905 nan 8.290 nan 0.000 0.581 458 A N 0.343 123.220 122.820 0.095 0.000 1.933 458 A HA -0.009 4.311 4.320 0.001 0.000 0.218 458 A C 2.525 180.153 177.584 0.073 0.000 1.175 458 A CA 1.910 53.993 52.037 0.077 0.000 0.628 458 A CB -0.453 18.578 19.000 0.052 0.000 0.814 458 A HN 0.565 nan 8.150 nan 0.000 0.444 459 V N -0.147 119.813 119.914 0.076 0.000 2.307 459 V HA -0.308 3.813 4.120 0.001 0.000 0.245 459 V C 2.587 178.728 176.094 0.077 0.000 1.045 459 V CA 2.152 64.492 62.300 0.066 0.000 1.024 459 V CB -1.014 30.847 31.823 0.062 0.000 0.651 459 V HN 0.628 nan 8.190 nan 0.000 0.449 460 Q N -0.255 119.621 119.800 0.125 0.000 2.135 460 Q HA -0.267 4.073 4.340 0.001 0.000 0.204 460 Q C 2.281 178.315 176.000 0.057 0.000 0.981 460 Q CA 1.595 57.486 55.803 0.147 0.000 0.856 460 Q CB -0.257 28.683 28.738 0.336 0.000 0.902 460 Q HN 0.685 nan 8.270 nan 0.000 0.425 461 Q N -0.201 119.640 119.800 0.069 0.000 2.443 461 Q HA -0.119 4.221 4.340 0.001 0.000 0.213 461 Q C 1.940 177.931 176.000 -0.016 0.000 0.982 461 Q CA 0.730 56.532 55.803 -0.000 0.000 0.894 461 Q CB -0.103 28.663 28.738 0.048 0.000 0.947 461 Q HN 0.181 nan 8.270 nan 0.000 0.480 462 S N -0.054 115.648 115.700 0.004 0.000 2.447 462 S HA -0.040 4.431 4.470 0.001 0.000 0.233 462 S C 0.822 175.414 174.600 -0.014 0.000 1.006 462 S CA 0.254 58.455 58.200 0.002 0.000 0.957 462 S CB 0.218 63.427 63.200 0.015 0.000 0.773 462 S HN 0.152 nan 8.310 nan 0.000 0.507 463 I N 2.809 123.358 120.570 -0.035 0.000 2.342 463 I HA 0.246 4.417 4.170 0.001 0.000 0.291 463 I C 0.351 176.422 176.117 -0.077 0.000 1.010 463 I CA -0.903 60.369 61.300 -0.047 0.000 1.308 463 I CB 0.730 38.702 38.000 -0.047 0.000 1.400 463 I HN 0.157 nan 8.210 nan 0.000 0.488 464 D N 4.292 124.665 120.400 -0.045 0.000 2.487 464 D HA -0.075 4.565 4.640 0.001 0.000 0.243 464 D C 1.288 177.546 176.300 -0.069 0.000 1.154 464 D CA 0.224 54.201 54.000 -0.037 0.000 0.876 464 D CB 1.161 41.961 40.800 -0.000 0.000 1.161 464 D HN 0.681 nan 8.370 nan 0.000 0.478 465 S N 4.425 120.075 115.700 -0.085 0.000 2.419 465 S HA -0.202 4.268 4.470 0.001 0.000 0.235 465 S C 1.667 176.232 174.600 -0.058 0.000 1.019 465 S CA 0.659 58.791 58.200 -0.113 0.000 0.982 465 S CB -0.065 63.077 63.200 -0.096 0.000 0.789 465 S HN 0.568 nan 8.310 nan 0.000 0.490 466 R N 0.766 121.247 120.500 -0.032 0.000 2.200 466 R HA 0.115 4.455 4.340 0.001 0.000 0.234 466 R C 1.942 178.221 176.300 -0.036 0.000 1.127 466 R CA 1.362 57.440 56.100 -0.035 0.000 0.989 466 R CB -0.600 29.669 30.300 -0.053 0.000 0.869 466 R HN 0.463 nan 8.270 nan 0.000 0.459 467 L N 0.323 121.526 121.223 -0.033 0.000 2.418 467 L HA 0.102 4.443 4.340 0.001 0.000 0.218 467 L C 0.775 177.642 176.870 -0.005 0.000 1.125 467 L CA 0.269 55.097 54.840 -0.019 0.000 0.835 467 L CB 0.061 42.108 42.059 -0.020 0.000 0.953 467 L HN 0.063 nan 8.230 nan 0.000 0.454 468 I N 0.115 120.675 120.570 -0.016 0.000 2.385 468 I HA 0.261 4.431 4.170 0.001 0.000 0.294 468 I C -0.622 175.504 176.117 0.016 0.000 0.988 468 I CA -0.430 60.872 61.300 0.003 0.000 1.265 468 I CB 1.838 39.821 38.000 -0.028 0.000 1.388 468 I HN -0.302 nan 8.210 nan 0.000 0.480 469 V N 4.736 124.680 119.914 0.051 0.000 2.709 469 V HA 0.328 4.449 4.120 0.001 0.000 0.308 469 V C -0.839 175.247 176.094 -0.014 0.000 1.062 469 V CA -0.854 61.442 62.300 -0.008 0.000 0.901 469 V CB 2.150 33.974 31.823 0.001 0.000 1.003 469 V HN 0.587 nan 8.190 nan 0.000 0.425 470 D N 2.506 122.822 120.400 -0.140 0.000 2.210 470 D HA 0.479 5.119 4.640 0.001 0.000 0.249 470 D C -1.004 175.173 176.300 -0.206 0.000 1.062 470 D CA 0.073 54.022 54.000 -0.085 0.000 0.891 470 D CB 1.403 42.174 40.800 -0.049 0.000 1.186 470 D HN 0.446 nan 8.370 nan 0.000 0.432 471 W N 1.238 122.491 121.300 -0.077 0.000 2.538 471 W HA 0.456 5.116 4.660 0.001 0.000 0.322 471 W C 0.208 176.735 176.519 0.013 0.000 1.028 471 W CA -0.854 56.480 57.345 -0.018 0.000 1.228 471 W CB 1.329 30.663 29.460 -0.210 0.000 1.356 471 W HN -0.084 nan 8.180 nan 0.000 0.452 472 R N 2.940 123.642 120.500 0.338 0.000 2.483 472 R HA 0.505 4.845 4.340 0.001 0.000 0.303 472 R C -1.592 174.856 176.300 0.248 0.000 0.987 472 R CA -0.847 55.347 56.100 0.157 0.000 0.881 472 R CB 1.620 31.989 30.300 0.116 0.000 1.177 472 R HN 0.191 nan 8.270 nan 0.000 0.451 473 F N 2.976 122.761 119.950 -0.274 0.000 2.495 473 F HA 0.518 5.045 4.527 0.001 0.000 0.327 473 F C -0.382 175.288 175.800 -0.217 0.000 1.103 473 F CA -1.456 56.469 58.000 -0.124 0.000 0.949 473 F CB 1.188 40.081 39.000 -0.179 0.000 1.142 473 F HN 0.300 nan 8.300 nan 0.000 0.457 474 F N 1.252 121.390 119.950 0.313 0.000 2.477 474 F HA 0.642 5.169 4.527 0.001 0.000 0.335 474 F C 0.612 176.619 175.800 0.346 0.000 1.130 474 F CA -1.117 57.066 58.000 0.304 0.000 0.948 474 F CB 1.546 40.772 39.000 0.377 0.000 1.154 474 F HN 0.522 nan 8.300 nan 0.000 0.439 475 G N 2.206 111.259 108.800 0.421 0.000 2.451 475 G HA2 0.599 4.559 3.960 0.001 0.000 0.303 475 G HA3 0.599 4.559 3.960 0.001 0.000 0.303 475 G C -0.748 174.347 174.900 0.325 0.000 1.166 475 G CA -1.025 44.302 45.100 0.379 0.000 0.884 475 G HN 0.712 nan 8.290 nan 0.000 0.514 476 R N -0.586 120.099 120.500 0.309 0.000 2.457 476 R HA 0.634 4.974 4.340 0.001 0.000 0.284 476 R C -1.024 175.373 176.300 0.161 0.000 1.024 476 R CA -0.546 55.656 56.100 0.170 0.000 1.025 476 R CB 1.151 31.562 30.300 0.185 0.000 1.063 476 R HN 0.266 nan 8.270 nan 0.000 0.493 477 T N 1.858 116.470 114.554 0.097 0.000 2.812 477 T HA 0.113 4.463 4.350 0.001 0.000 0.282 477 T C -0.725 174.050 174.700 0.125 0.000 0.990 477 T CA -0.634 61.574 62.100 0.181 0.000 0.960 477 T CB 1.380 70.428 68.868 0.300 0.000 0.948 477 T HN 0.650 nan 8.240 nan 0.000 0.438 478 E N 4.377 124.656 120.200 0.131 0.000 2.417 478 E HA 0.082 4.433 4.350 0.001 0.000 0.261 478 E C -2.176 174.498 176.600 0.124 0.000 1.000 478 E CA -1.524 54.943 56.400 0.112 0.000 0.919 478 E CB 0.472 30.231 29.700 0.097 0.000 0.955 478 E HN 0.185 nan 8.360 nan 0.000 0.455 479 P HA 0.084 nan 4.420 nan 0.000 0.271 479 P C -1.199 176.260 177.300 0.265 0.000 1.226 479 P CA 0.210 63.446 63.100 0.226 0.000 0.765 479 P CB 0.590 32.439 31.700 0.248 0.000 0.835 480 K N 2.645 123.153 120.400 0.181 0.000 2.378 480 K HA 0.170 4.491 4.320 0.001 0.000 0.252 480 K C 0.940 177.396 176.600 -0.240 0.000 0.931 480 K CA -0.690 55.631 56.287 0.056 0.000 0.794 480 K CB 2.392 34.872 32.500 -0.033 0.000 1.181 480 K HN 0.437 nan 8.250 nan 0.000 0.425 481 E N 2.140 122.049 120.200 -0.485 0.000 2.118 481 E HA -0.224 4.126 4.350 0.001 0.000 0.195 481 E C 1.066 177.408 176.600 -0.430 0.000 0.992 481 E CA 1.549 57.394 56.400 -0.925 0.000 0.804 481 E CB 0.454 29.826 29.700 -0.547 0.000 0.741 481 E HN 0.556 nan 8.360 nan 0.000 0.458 482 E N 0.353 120.412 120.200 -0.235 0.000 2.338 482 E HA -0.127 4.224 4.350 0.001 0.000 0.197 482 E C 0.025 176.564 176.600 -0.103 0.000 1.007 482 E CA 0.392 56.707 56.400 -0.140 0.000 0.849 482 E CB -0.296 29.339 29.700 -0.109 0.000 0.774 482 E HN 0.076 nan 8.360 nan 0.000 0.506 483 N N 2.126 120.755 118.700 -0.119 0.000 2.415 483 N HA 0.164 4.904 4.740 0.001 0.000 0.246 483 N C -0.703 174.862 175.510 0.092 0.000 1.078 483 N CA 0.166 53.200 53.050 -0.027 0.000 0.942 483 N CB 1.039 39.474 38.487 -0.086 0.000 1.140 483 N HN 0.138 nan 8.380 nan 0.000 0.501 484 K N 1.019 121.524 120.400 0.176 0.000 2.395 484 K HA 0.516 4.837 4.320 0.001 0.000 0.247 484 K C -1.018 175.726 176.600 0.240 0.000 0.973 484 K CA -0.971 55.437 56.287 0.202 0.000 0.828 484 K CB 2.327 34.947 32.500 0.200 0.000 1.272 484 K HN 0.163 nan 8.250 nan 0.000 0.439 485 L N 3.268 124.575 121.223 0.138 0.000 2.319 485 L HA 0.548 4.888 4.340 0.001 0.000 0.281 485 L C -1.349 175.450 176.870 -0.118 0.000 1.005 485 L CA -0.131 54.617 54.840 -0.153 0.000 0.828 485 L CB 0.654 42.615 42.059 -0.163 0.000 1.227 485 L HN 0.710 nan 8.230 nan 0.000 0.415 486 W N 3.639 124.658 121.300 -0.469 0.000 2.967 486 W HA 0.682 5.342 4.660 0.001 0.000 0.342 486 W C -2.139 173.962 176.519 -0.696 0.000 1.162 486 W CA -1.256 55.879 57.345 -0.350 0.000 1.085 486 W CB 0.928 30.321 29.460 -0.111 0.000 1.460 486 W HN 0.352 nan 8.180 nan 0.000 0.584 487 F N 1.493 121.640 119.950 0.329 0.000 2.547 487 F HA 0.327 4.854 4.527 0.001 0.000 0.316 487 F C 0.771 176.738 175.800 0.279 0.000 1.121 487 F CA -0.897 57.177 58.000 0.122 0.000 0.911 487 F CB 2.097 41.149 39.000 0.086 0.000 1.179 487 F HN 0.284 nan 8.300 nan 0.000 0.443 488 S N 0.975 116.825 115.700 0.249 0.000 2.579 488 S HA 0.062 4.532 4.470 0.001 0.000 0.275 488 S C 0.737 175.488 174.600 0.251 0.000 1.345 488 S CA -0.378 57.999 58.200 0.295 0.000 1.031 488 S CB 0.439 63.714 63.200 0.125 0.000 0.892 488 S HN 0.717 nan 8.310 nan 0.000 0.529 489 D N 2.149 122.682 120.400 0.222 0.000 2.349 489 D HA 0.182 4.823 4.640 0.001 0.000 0.214 489 D C 0.928 177.292 176.300 0.106 0.000 1.063 489 D CA 0.327 54.413 54.000 0.144 0.000 0.847 489 D CB 0.222 41.091 40.800 0.116 0.000 0.933 489 D HN 0.340 nan 8.370 nan 0.000 0.513 490 K N -0.392 120.074 120.400 0.111 0.000 2.493 490 K HA 0.180 4.501 4.320 0.001 0.000 0.201 490 K C 0.142 176.787 176.600 0.074 0.000 1.355 490 K CA -0.105 56.231 56.287 0.082 0.000 0.953 490 K CB 1.334 33.880 32.500 0.077 0.000 1.316 490 K HN 0.058 nan 8.250 nan 0.000 0.522 491 I N 3.276 123.893 120.570 0.078 0.000 2.428 491 I HA 0.105 4.275 4.170 0.001 0.000 0.289 491 I C 0.717 176.872 176.117 0.064 0.000 1.019 491 I CA 0.064 61.399 61.300 0.058 0.000 1.351 491 I CB 0.910 38.931 38.000 0.036 0.000 1.412 491 I HN 0.093 nan 8.210 nan 0.000 0.513 492 T N 1.386 115.975 114.554 0.059 0.000 2.924 492 T HA 0.594 4.945 4.350 0.001 0.000 0.291 492 T C -0.348 174.393 174.700 0.067 0.000 1.045 492 T CA -0.917 61.226 62.100 0.070 0.000 1.015 492 T CB 2.357 71.263 68.868 0.064 0.000 1.103 492 T HN 0.544 nan 8.240 nan 0.000 0.496 493 D N 0.844 121.301 120.400 0.094 0.000 2.478 493 D HA 0.466 5.107 4.640 0.001 0.000 0.274 493 D C 1.646 177.998 176.300 0.087 0.000 1.234 493 D CA -0.417 53.647 54.000 0.105 0.000 1.069 493 D CB 0.027 40.926 40.800 0.165 0.000 1.113 493 D HN 0.645 nan 8.370 nan 0.000 0.571 494 A N -1.262 121.609 122.820 0.084 0.000 2.070 494 A HA -0.137 4.184 4.320 0.001 0.000 0.220 494 A C 1.213 178.668 177.584 -0.215 0.000 1.159 494 A CA 0.971 52.970 52.037 -0.063 0.000 0.656 494 A CB -0.979 17.963 19.000 -0.097 0.000 0.800 494 A HN 0.558 nan 8.150 nan 0.000 0.453 495 Y N -1.210 119.110 120.300 0.032 0.000 2.625 495 Y HA 0.250 4.800 4.550 0.001 0.000 0.285 495 Y C 0.792 176.720 175.900 0.047 0.000 1.168 495 Y CA -0.221 57.899 58.100 0.034 0.000 1.250 495 Y CB -0.476 37.986 38.460 0.005 0.000 1.130 495 Y HN 0.457 nan 8.280 nan 0.000 0.526 496 N N -0.390 118.385 118.700 0.124 0.000 2.741 496 N HA -0.177 4.563 4.740 0.001 0.000 0.250 496 N C -0.572 174.998 175.510 0.099 0.000 1.115 496 N CA 0.562 53.667 53.050 0.092 0.000 0.724 496 N CB -0.449 38.081 38.487 0.071 0.000 1.090 496 N HN 0.134 nan 8.380 nan 0.000 0.558 497 M N -0.194 119.480 119.600 0.124 0.000 2.528 497 M HA 0.415 4.895 4.480 0.001 0.000 0.318 497 M C -2.083 174.287 176.300 0.116 0.000 1.195 497 M CA -2.008 53.352 55.300 0.100 0.000 1.000 497 M CB 0.373 33.028 32.600 0.091 0.000 1.615 497 M HN -0.249 nan 8.290 nan 0.000 0.469 498 P HA -0.011 nan 4.420 nan 0.000 0.261 498 P C -0.596 176.863 177.300 0.264 0.000 1.183 498 P CA 0.075 63.277 63.100 0.170 0.000 0.761 498 P CB 0.194 31.997 31.700 0.172 0.000 0.785 499 Q N 7.052 126.950 119.800 0.163 0.000 2.262 499 Q HA 0.137 4.478 4.340 0.001 0.000 0.272 499 Q C -2.198 173.766 176.000 -0.060 0.000 1.076 499 Q CA -1.947 53.896 55.803 0.067 0.000 0.905 499 Q CB -0.293 28.438 28.738 -0.011 0.000 1.182 499 Q HN 0.304 nan 8.270 nan 0.000 0.390 500 P HA 0.059 nan 4.420 nan 0.000 0.268 500 P C -1.010 175.815 177.300 -0.792 0.000 1.205 500 P CA -0.030 62.648 63.100 -0.703 0.000 0.771 500 P CB 0.896 32.264 31.700 -0.553 0.000 0.858 501 T N 2.898 116.761 114.554 -1.151 0.000 2.971 501 T HA 0.475 4.825 4.350 0.001 0.000 0.304 501 T C -0.618 173.432 174.700 -1.084 0.000 1.038 501 T CA -0.119 61.311 62.100 -1.115 0.000 1.007 501 T CB 0.463 68.342 68.868 -1.649 0.000 1.055 501 T HN 0.058 nan 8.240 nan 0.000 0.451 502 F N 1.967 121.646 119.950 -0.452 0.000 2.397 502 F HA 0.532 5.059 4.527 0.001 0.000 0.331 502 F C 0.678 176.432 175.800 -0.077 0.000 1.090 502 F CA -0.843 57.018 58.000 -0.232 0.000 1.065 502 F CB 1.116 40.024 39.000 -0.153 0.000 1.184 502 F HN 0.394 nan 8.300 nan 0.000 0.499 503 D N 3.340 123.916 120.400 0.293 0.000 2.389 503 D HA 0.229 4.869 4.640 0.001 0.000 0.256 503 D C -1.785 174.654 176.300 0.231 0.000 1.239 503 D CA -0.089 54.066 54.000 0.260 0.000 0.925 503 D CB 0.415 41.395 40.800 0.300 0.000 1.145 503 D HN 0.297 nan 8.370 nan 0.000 0.542 504 F N 3.350 123.300 119.950 0.000 0.000 2.574 504 F HA 0.568 5.096 4.527 0.001 0.000 0.313 504 F C -1.252 174.448 175.800 -0.167 0.000 1.130 504 F CA -0.594 57.339 58.000 -0.111 0.000 0.936 504 F CB 1.354 40.223 39.000 -0.217 0.000 1.219 504 F HN 0.021 nan 8.300 nan 0.000 0.445 505 R N 4.406 124.404 120.500 -0.837 0.000 2.698 505 R HA 0.351 4.692 4.340 0.001 0.000 0.275 505 R C -1.641 174.061 176.300 -0.996 0.000 1.001 505 R CA -0.968 54.758 56.100 -0.625 0.000 0.896 505 R CB 1.713 31.856 30.300 -0.262 0.000 1.218 505 R HN 0.590 nan 8.270 nan 0.000 0.462 506 F N 3.133 122.882 119.950 -0.335 0.000 2.571 506 F HA 0.150 4.678 4.527 0.001 0.000 0.384 506 F C -1.288 174.398 175.800 -0.191 0.000 1.058 506 F CA -0.939 56.946 58.000 -0.193 0.000 1.200 506 F CB -0.156 38.838 39.000 -0.011 0.000 1.077 506 F HN 0.129 nan 8.300 nan 0.000 0.558 507 P HA 0.126 nan 4.420 nan 0.000 0.269 507 P C -0.506 176.809 177.300 0.025 0.000 1.209 507 P CA -0.255 62.824 63.100 -0.034 0.000 0.776 507 P CB 0.554 32.246 31.700 -0.013 0.000 0.876 508 A N 2.352 125.173 122.820 0.002 0.000 2.366 508 A HA 0.527 4.847 4.320 0.001 0.000 0.250 508 A C 1.164 178.764 177.584 0.026 0.000 1.099 508 A CA 0.757 52.801 52.037 0.012 0.000 0.794 508 A CB -1.098 17.902 19.000 -0.000 0.000 1.056 508 A HN 0.838 nan 8.150 nan 0.000 0.499 509 G N 0.041 108.858 108.800 0.028 0.000 2.498 509 G HA2 -0.300 3.661 3.960 0.001 0.000 0.251 509 G HA3 -0.300 3.661 3.960 0.001 0.000 0.251 509 G C 1.086 176.017 174.900 0.052 0.000 1.170 509 G CA 0.902 46.024 45.100 0.038 0.000 0.944 509 G HN 1.081 nan 8.290 nan 0.000 0.567 510 R N -0.230 120.308 120.500 0.063 0.000 2.103 510 R HA -0.102 4.239 4.340 0.001 0.000 0.242 510 R C 2.831 179.190 176.300 0.098 0.000 1.142 510 R CA 2.795 58.943 56.100 0.079 0.000 0.960 510 R CB -0.931 29.418 30.300 0.082 0.000 0.858 510 R HN 0.639 nan 8.270 nan 0.000 0.439 511 T N 0.023 114.639 114.554 0.103 0.000 2.684 511 T HA -0.119 4.231 4.350 0.001 0.000 0.267 511 T C 1.933 176.691 174.700 0.097 0.000 1.036 511 T CA 1.849 64.027 62.100 0.129 0.000 1.148 511 T CB -0.184 68.782 68.868 0.164 0.000 0.863 511 T HN 0.280 nan 8.240 nan 0.000 0.436 512 S N 0.485 116.225 115.700 0.067 0.000 2.371 512 S HA -0.012 4.459 4.470 0.001 0.000 0.224 512 S C 2.017 176.630 174.600 0.021 0.000 1.029 512 S CA 0.859 59.067 58.200 0.014 0.000 0.978 512 S CB -0.165 63.039 63.200 0.007 0.000 0.833 512 S HN 0.496 nan 8.310 nan 0.000 0.466 513 K N 1.406 121.836 120.400 0.049 0.000 2.026 513 K HA -0.130 4.190 4.320 0.001 0.000 0.208 513 K C 1.881 178.540 176.600 0.098 0.000 1.048 513 K CA 1.444 57.769 56.287 0.062 0.000 0.929 513 K CB -0.136 32.405 32.500 0.068 0.000 0.713 513 K HN 0.350 nan 8.250 nan 0.000 0.439 514 E N -0.000 120.283 120.200 0.139 0.000 2.110 514 E HA -0.181 4.169 4.350 0.001 0.000 0.193 514 E C 1.979 178.681 176.600 0.169 0.000 0.988 514 E CA 0.959 57.499 56.400 0.233 0.000 0.804 514 E CB -0.116 29.749 29.700 0.275 0.000 0.745 514 E HN 0.454 nan 8.360 nan 0.000 0.458 515 A N 1.372 124.257 122.820 0.108 0.000 1.908 515 A HA -0.264 4.056 4.320 0.001 0.000 0.218 515 A C 2.088 179.753 177.584 0.134 0.000 1.181 515 A CA 1.889 53.985 52.037 0.098 0.000 0.627 515 A CB -0.378 18.611 19.000 -0.018 0.000 0.818 515 A HN 0.139 nan 8.150 nan 0.000 0.445 516 E N 0.353 120.604 120.200 0.086 0.000 2.076 516 E HA -0.120 4.231 4.350 0.001 0.000 0.190 516 E C 1.340 177.931 176.600 -0.016 0.000 0.979 516 E CA 1.365 57.814 56.400 0.082 0.000 0.807 516 E CB -0.308 29.417 29.700 0.041 0.000 0.761 516 E HN 0.509 nan 8.360 nan 0.000 0.454 517 D N 0.012 120.407 120.400 -0.009 0.000 2.149 517 D HA -0.195 4.445 4.640 0.001 0.000 0.198 517 D C 1.905 177.981 176.300 -0.374 0.000 0.990 517 D CA 1.190 55.168 54.000 -0.037 0.000 0.839 517 D CB -0.313 40.599 40.800 0.187 0.000 0.948 517 D HN 0.315 nan 8.370 nan 0.000 0.460 518 M N -0.342 118.842 119.600 -0.694 0.000 2.086 518 M HA -0.196 4.284 4.480 0.001 0.000 0.261 518 M C 2.059 177.941 176.300 -0.697 0.000 1.067 518 M CA 1.212 55.745 55.300 -1.278 0.000 1.116 518 M CB 0.001 32.127 32.600 -0.789 0.000 1.348 518 M HN -0.031 nan 8.290 nan 0.000 0.407 519 M N 0.371 119.690 119.600 -0.469 0.000 2.073 519 M HA -0.179 4.302 4.480 0.001 0.000 0.258 519 M C 1.829 177.905 176.300 -0.375 0.000 1.070 519 M CA 2.506 57.521 55.300 -0.474 0.000 1.103 519 M CB -1.039 31.347 32.600 -0.357 0.000 1.321 519 M HN 0.282 nan 8.290 nan 0.000 0.405 520 T N 0.042 114.448 114.554 -0.247 0.000 2.684 520 T HA -0.190 4.160 4.350 0.001 0.000 0.267 520 T C 1.515 176.134 174.700 -0.134 0.000 1.036 520 T CA 1.878 63.887 62.100 -0.151 0.000 1.148 520 T CB -0.682 68.145 68.868 -0.069 0.000 0.863 520 T HN 0.545 nan 8.240 nan 0.000 0.436 521 D N 0.469 120.789 120.400 -0.134 0.000 2.123 521 D HA -0.086 4.554 4.640 0.001 0.000 0.196 521 D C 2.052 178.333 176.300 -0.032 0.000 0.992 521 D CA 0.909 54.933 54.000 0.039 0.000 0.833 521 D CB -0.236 40.690 40.800 0.211 0.000 0.954 521 D HN 0.300 nan 8.370 nan 0.000 0.455 522 M N -0.568 118.769 119.600 -0.437 0.000 2.159 522 M HA -0.177 4.303 4.480 0.001 0.000 0.263 522 M C 1.898 177.895 176.300 -0.505 0.000 1.063 522 M CA 1.310 56.088 55.300 -0.870 0.000 1.110 522 M CB -0.114 31.729 32.600 -1.261 0.000 1.374 522 M HN 0.207 nan 8.290 nan 0.000 0.411 523 C N -0.504 118.600 119.300 -0.326 0.000 2.453 523 C HA -0.095 4.366 4.460 0.001 0.000 0.277 523 C C 2.652 177.552 174.990 -0.150 0.000 1.262 523 C CA 0.803 59.737 59.018 -0.140 0.000 1.718 523 C CB -0.912 26.788 27.740 -0.066 0.000 2.031 523 C HN 0.486 nan 8.230 nan 0.000 0.480 524 V N 0.692 120.545 119.914 -0.102 0.000 2.295 524 V HA -0.307 3.814 4.120 0.001 0.000 0.246 524 V C 2.382 178.457 176.094 -0.031 0.000 1.049 524 V CA 2.336 64.608 62.300 -0.047 0.000 1.024 524 V CB -0.670 31.174 31.823 0.035 0.000 0.648 524 V HN 0.594 nan 8.190 nan 0.000 0.447 525 M N 0.698 120.312 119.600 0.024 0.000 2.123 525 M HA -0.142 4.338 4.480 0.001 0.000 0.263 525 M C 2.471 178.660 176.300 -0.186 0.000 1.069 525 M CA 2.176 57.565 55.300 0.148 0.000 1.133 525 M CB -0.169 32.678 32.600 0.412 0.000 1.356 525 M HN 0.546 nan 8.290 nan 0.000 0.415 526 S N 0.563 115.838 115.700 -0.709 0.000 2.399 526 S HA -0.055 4.415 4.470 0.001 0.000 0.231 526 S C 1.957 176.177 174.600 -0.633 0.000 1.022 526 S CA 0.968 58.334 58.200 -1.389 0.000 0.983 526 S CB -0.845 61.282 63.200 -1.788 0.000 0.803 526 S HN 0.565 nan 8.310 nan 0.000 0.480 527 A N 2.074 124.626 122.820 -0.446 0.000 2.070 527 A HA -0.008 4.312 4.320 0.001 0.000 0.220 527 A C 2.163 179.625 177.584 -0.203 0.000 1.159 527 A CA 1.259 53.088 52.037 -0.346 0.000 0.656 527 A CB -0.514 18.306 19.000 -0.301 0.000 0.800 527 A HN 0.636 nan 8.150 nan 0.000 0.453 528 K N -0.632 119.693 120.400 -0.125 0.000 2.288 528 K HA 0.029 4.349 4.320 0.001 0.000 0.201 528 K C 1.157 177.751 176.600 -0.010 0.000 1.048 528 K CA 0.764 57.023 56.287 -0.047 0.000 0.956 528 K CB -0.017 32.494 32.500 0.017 0.000 0.746 528 K HN 0.414 nan 8.250 nan 0.000 0.461 529 I N -0.586 119.992 120.570 0.014 0.000 3.172 529 I HA 0.139 4.309 4.170 0.001 0.000 0.278 529 I C 1.129 177.258 176.117 0.020 0.000 1.174 529 I CA 0.588 61.943 61.300 0.091 0.000 1.445 529 I CB 0.006 38.201 38.000 0.324 0.000 1.175 529 I HN 0.103 nan 8.210 nan 0.000 0.447 530 G N -0.576 108.183 108.800 -0.068 0.000 2.328 530 G HA2 0.439 4.400 3.960 0.001 0.000 0.295 530 G HA3 0.439 4.400 3.960 0.001 0.000 0.295 530 G C -0.592 174.157 174.900 -0.253 0.000 1.413 530 G CA -0.197 44.834 45.100 -0.115 0.000 0.817 530 G HN 0.276 nan 8.290 nan 0.000 0.546 531 G N -1.058 107.589 108.800 -0.255 0.000 2.606 531 G HA2 0.523 4.483 3.960 0.001 0.000 0.252 531 G HA3 0.523 4.483 3.960 0.001 0.000 0.252 531 G C -0.164 174.536 174.900 -0.333 0.000 1.206 531 G CA -0.433 44.430 45.100 -0.396 0.000 0.861 531 G HN 0.461 nan 8.290 nan 0.000 0.561 532 F N -0.654 119.200 119.950 -0.161 0.000 2.563 532 F HA 0.167 4.694 4.527 0.001 0.000 0.363 532 F C 0.749 176.488 175.800 -0.102 0.000 1.123 532 F CA -0.760 57.138 58.000 -0.169 0.000 1.307 532 F CB 0.558 39.450 39.000 -0.179 0.000 1.115 532 F HN 0.171 nan 8.300 nan 0.000 0.592 533 L N 6.102 127.389 121.223 0.106 0.000 2.361 533 L HA 0.388 4.728 4.340 0.001 0.000 0.278 533 L C -2.365 174.553 176.870 0.080 0.000 1.113 533 L CA -1.941 52.942 54.840 0.071 0.000 0.849 533 L CB -0.023 42.074 42.059 0.064 0.000 1.155 533 L HN 0.282 nan 8.230 nan 0.000 0.452 534 P HA 0.179 nan 4.420 nan 0.000 0.265 534 P C 0.660 178.013 177.300 0.089 0.000 1.187 534 P CA 1.043 64.185 63.100 0.069 0.000 0.766 534 P CB 0.615 32.349 31.700 0.056 0.000 0.820 535 G N 1.777 110.625 108.800 0.079 0.000 2.225 535 G HA2 -0.240 3.720 3.960 0.001 0.000 0.254 535 G HA3 -0.240 3.720 3.960 0.001 0.000 0.254 535 G C 0.482 175.470 174.900 0.148 0.000 0.988 535 G CA 0.259 45.425 45.100 0.110 0.000 0.625 535 G HN 0.538 nan 8.290 nan 0.000 0.527 536 S N 0.708 116.470 115.700 0.104 0.000 2.474 536 S HA 0.521 4.992 4.470 0.001 0.000 0.224 536 S C 0.422 174.947 174.600 -0.126 0.000 1.209 536 S CA -0.543 57.708 58.200 0.086 0.000 1.212 536 S CB 0.268 63.502 63.200 0.056 0.000 1.137 536 S HN 0.461 nan 8.310 nan 0.000 0.446 537 L N 2.200 123.341 121.223 -0.137 0.000 2.453 537 L HA 0.379 4.719 4.340 0.001 0.000 0.261 537 L C -2.180 174.403 176.870 -0.479 0.000 1.179 537 L CA -2.320 52.307 54.840 -0.355 0.000 0.813 537 L CB -0.012 41.901 42.059 -0.243 0.000 1.110 537 L HN 0.066 nan 8.230 nan 0.000 0.466 538 P HA 0.033 nan 4.420 nan 0.000 0.267 538 P C -1.389 175.672 177.300 -0.399 0.000 1.209 538 P CA 0.045 62.747 63.100 -0.663 0.000 0.763 538 P CB 0.441 31.643 31.700 -0.830 0.000 0.816 539 Q N 1.590 121.197 119.800 -0.323 0.000 2.472 539 Q HA 0.469 4.809 4.340 0.001 0.000 0.281 539 Q C -1.469 174.375 176.000 -0.261 0.000 0.997 539 Q CA -0.858 54.831 55.803 -0.189 0.000 0.828 539 Q CB 0.649 29.362 28.738 -0.041 0.000 1.443 539 Q HN 0.080 nan 8.270 nan 0.000 0.390 540 F N 1.550 121.444 119.950 -0.094 0.000 2.412 540 F HA 0.304 4.831 4.527 0.001 0.000 0.348 540 F C 0.671 176.435 175.800 -0.059 0.000 1.102 540 F CA -0.359 57.585 58.000 -0.094 0.000 1.196 540 F CB 0.934 39.865 39.000 -0.115 0.000 1.144 540 F HN 0.392 nan 8.300 nan 0.000 0.541 541 M N 1.866 121.517 119.600 0.085 0.000 2.241 541 M HA 0.095 4.575 4.480 0.001 0.000 0.335 541 M C 0.342 176.680 176.300 0.064 0.000 1.122 541 M CA -0.273 55.046 55.300 0.031 0.000 1.164 541 M CB 0.458 33.034 32.600 -0.040 0.000 1.459 541 M HN 0.602 nan 8.290 nan 0.000 0.461 542 E N 2.884 123.096 120.200 0.020 0.000 2.502 542 E HA 0.026 4.376 4.350 0.001 0.000 0.261 542 E C -2.180 174.436 176.600 0.028 0.000 0.974 542 E CA -1.272 55.139 56.400 0.018 0.000 0.936 542 E CB 0.425 30.112 29.700 -0.022 0.000 0.926 542 E HN 0.208 nan 8.360 nan 0.000 0.459 543 P HA 0.051 nan 4.420 nan 0.000 0.263 543 P C 0.233 177.464 177.300 -0.115 0.000 1.195 543 P CA 1.049 64.186 63.100 0.062 0.000 0.762 543 P CB 0.715 32.440 31.700 0.043 0.000 0.799 544 G N 2.564 111.299 108.800 -0.109 0.000 2.213 544 G HA2 -0.309 3.652 3.960 0.001 0.000 0.236 544 G HA3 -0.309 3.652 3.960 0.001 0.000 0.236 544 G C 0.758 175.603 174.900 -0.092 0.000 0.991 544 G CA 0.117 45.109 45.100 -0.180 0.000 0.629 544 G HN 0.504 nan 8.290 nan 0.000 0.517 545 L N 1.153 122.340 121.223 -0.060 0.000 2.127 545 L HA 0.109 4.450 4.340 0.001 0.000 0.211 545 L C 2.909 179.756 176.870 -0.039 0.000 1.089 545 L CA 2.462 57.271 54.840 -0.051 0.000 0.757 545 L CB -0.557 41.467 42.059 -0.059 0.000 0.899 545 L HN 0.553 nan 8.230 nan 0.000 0.434 546 V N 0.020 119.913 119.914 -0.035 0.000 2.380 546 V HA -0.249 3.871 4.120 0.001 0.000 0.251 546 V C 1.606 177.628 176.094 -0.119 0.000 1.063 546 V CA 1.654 63.909 62.300 -0.075 0.000 1.055 546 V CB -0.264 31.542 31.823 -0.029 0.000 0.657 546 V HN 0.509 nan 8.190 nan 0.000 0.455 547 L N -0.176 121.043 121.223 -0.006 0.000 3.597 547 L HA -0.241 4.100 4.340 0.001 0.000 0.440 547 L C 0.344 177.384 176.870 0.283 0.000 1.277 547 L CA 0.928 55.826 54.840 0.098 0.000 0.852 547 L CB -2.495 39.631 42.059 0.112 0.000 1.708 547 L HN 0.597 nan 8.230 nan 0.000 0.885 548 H N -0.707 118.462 119.070 0.165 0.000 2.467 548 H HA 0.272 4.829 4.556 0.001 0.000 0.275 548 H C 0.521 175.993 175.328 0.240 0.000 1.131 548 H CA -1.075 55.118 56.048 0.241 0.000 0.989 548 H CB 0.709 30.653 29.762 0.303 0.000 1.696 548 H HN 0.196 nan 8.280 nan 0.000 0.574 549 L N 2.040 123.411 121.223 0.247 0.000 2.559 549 L HA 0.179 4.519 4.340 0.001 0.000 0.274 549 L C 0.620 177.623 176.870 0.222 0.000 1.205 549 L CA 0.712 55.647 54.840 0.157 0.000 0.907 549 L CB 0.289 42.404 42.059 0.094 0.000 1.153 549 L HN 0.276 nan 8.230 nan 0.000 0.490 550 G N 2.036 110.978 108.800 0.237 0.000 2.658 550 G HA2 0.531 4.492 3.960 0.001 0.000 0.292 550 G HA3 0.531 4.492 3.960 0.001 0.000 0.292 550 G C 0.338 175.342 174.900 0.174 0.000 1.320 550 G CA -0.311 44.953 45.100 0.274 0.000 0.933 550 G HN 1.286 nan 8.290 nan 0.000 0.476 551 G N -1.092 107.776 108.800 0.115 0.000 2.168 551 G HA2 -0.253 3.707 3.960 0.001 0.000 0.263 551 G HA3 -0.253 3.707 3.960 0.001 0.000 0.263 551 G C 1.300 176.264 174.900 0.107 0.000 0.977 551 G CA 1.667 46.838 45.100 0.118 0.000 0.659 551 G HN 1.825 nan 8.290 nan 0.000 0.533 552 T N -2.173 112.395 114.554 0.023 0.000 2.995 552 T HA 0.132 4.483 4.350 0.001 0.000 0.269 552 T C 1.096 175.878 174.700 0.136 0.000 1.091 552 T CA 1.839 63.993 62.100 0.089 0.000 1.128 552 T CB -0.225 68.700 68.868 0.095 0.000 0.891 552 T HN 1.502 nan 8.240 nan 0.000 0.492 553 H N -0.087 119.054 119.070 0.119 0.000 2.823 553 H HA 0.457 5.013 4.556 0.001 0.000 0.222 553 H C -0.144 175.223 175.328 0.064 0.000 1.414 553 H CA -1.412 54.681 56.048 0.074 0.000 1.289 553 H CB -0.414 29.357 29.762 0.016 0.000 1.970 553 H HN 0.359 nan 8.280 nan 0.000 0.517 554 R N 0.679 121.267 120.500 0.146 0.000 2.641 554 R HA 0.304 4.644 4.340 0.001 0.000 0.269 554 R C -0.301 176.057 176.300 0.097 0.000 1.074 554 R CA -0.725 55.433 56.100 0.096 0.000 1.133 554 R CB 0.983 31.334 30.300 0.086 0.000 1.029 554 R HN 0.477 nan 8.270 nan 0.000 0.488 555 M N 1.687 121.319 119.600 0.052 0.000 2.249 555 M HA 0.434 4.914 4.480 0.001 0.000 0.351 555 M C -0.574 175.717 176.300 -0.016 0.000 1.180 555 M CA 0.230 55.532 55.300 0.003 0.000 1.127 555 M CB 1.491 34.069 32.600 -0.036 0.000 1.546 555 M HN 0.940 nan 8.290 nan 0.000 0.461 556 G N 2.362 111.161 108.800 -0.000 0.000 2.608 556 G HA2 0.437 4.397 3.960 0.001 0.000 0.291 556 G HA3 0.437 4.397 3.960 0.001 0.000 0.291 556 G C -0.862 174.037 174.900 -0.002 0.000 1.425 556 G CA -0.693 44.369 45.100 -0.064 0.000 0.787 556 G HN 0.685 nan 8.290 nan 0.000 0.484 557 F N -0.062 119.983 119.950 0.158 0.000 2.206 557 F HA 0.227 4.754 4.527 0.001 0.000 0.298 557 F C 1.140 177.064 175.800 0.208 0.000 1.090 557 F CA 1.109 59.203 58.000 0.158 0.000 1.323 557 F CB 0.309 39.363 39.000 0.090 0.000 1.028 557 F HN 0.384 nan 8.300 nan 0.000 0.492 558 D N -1.153 119.414 120.400 0.279 0.000 2.757 558 D HA 0.135 4.776 4.640 0.001 0.000 0.249 558 D C 0.722 176.883 176.300 -0.231 0.000 1.168 558 D CA -0.261 53.749 54.000 0.017 0.000 0.870 558 D CB 1.373 42.191 40.800 0.031 0.000 1.411 558 D HN 0.079 nan 8.370 nan 0.000 0.525 559 E N 3.122 122.845 120.200 -0.796 0.000 2.070 559 E HA -0.282 4.068 4.350 0.001 0.000 0.197 559 E C 1.318 177.748 176.600 -0.283 0.000 1.004 559 E CA 1.311 57.215 56.400 -0.827 0.000 0.805 559 E CB 0.269 29.330 29.700 -1.064 0.000 0.744 559 E HN 0.420 nan 8.360 nan 0.000 0.451 560 K N 0.019 120.296 120.400 -0.205 0.000 2.044 560 K HA -0.112 4.209 4.320 0.001 0.000 0.204 560 K C 2.061 178.632 176.600 -0.048 0.000 1.045 560 K CA 1.278 57.512 56.287 -0.088 0.000 0.951 560 K CB 0.062 32.523 32.500 -0.065 0.000 0.738 560 K HN 0.094 nan 8.250 nan 0.000 0.443 561 E N 0.316 120.491 120.200 -0.042 0.000 2.106 561 E HA -0.129 4.221 4.350 0.001 0.000 0.192 561 E C 0.738 177.336 176.600 -0.003 0.000 0.984 561 E CA 1.018 57.414 56.400 -0.006 0.000 0.806 561 E CB 0.181 29.890 29.700 0.014 0.000 0.750 561 E HN 0.331 nan 8.360 nan 0.000 0.458 562 D N 0.184 120.577 120.400 -0.011 0.000 2.363 562 D HA 0.046 4.687 4.640 0.001 0.000 0.214 562 D C -0.636 175.606 176.300 -0.097 0.000 1.093 562 D CA -0.011 53.978 54.000 -0.020 0.000 0.837 562 D CB 0.064 40.891 40.800 0.044 0.000 0.948 562 D HN 0.066 nan 8.370 nan 0.000 0.507 563 N N 0.661 119.303 118.700 -0.096 0.000 2.669 563 N HA -0.195 4.545 4.740 0.001 0.000 0.266 563 N C -0.251 175.204 175.510 -0.091 0.000 1.024 563 N CA 0.626 53.606 53.050 -0.117 0.000 0.766 563 N CB -1.414 36.885 38.487 -0.313 0.000 0.898 563 N HN 0.412 nan 8.380 nan 0.000 0.548 564 C N -3.370 115.950 119.300 0.034 0.000 3.213 564 C HA 0.790 5.251 4.460 0.001 0.000 0.319 564 C C 1.348 176.526 174.990 0.314 0.000 1.386 564 C CA -0.651 58.459 59.018 0.153 0.000 1.494 564 C CB 1.583 29.428 27.740 0.176 0.000 1.905 564 C HN 0.497 nan 8.230 nan 0.000 0.456 565 C N 0.225 119.731 119.300 0.343 0.000 3.123 565 C HA 0.492 4.952 4.460 0.001 0.000 0.399 565 C C 0.629 175.698 174.990 0.131 0.000 1.320 565 C CA 0.581 59.787 59.018 0.314 0.000 1.949 565 C CB -0.355 27.489 27.740 0.174 0.000 2.692 565 C HN 0.965 nan 8.230 nan 0.000 0.623 566 V N 1.373 121.237 119.914 -0.084 0.000 2.914 566 V HA 0.714 4.834 4.120 0.001 0.000 0.314 566 V C -0.757 174.964 176.094 -0.623 0.000 1.084 566 V CA -0.644 61.365 62.300 -0.485 0.000 0.963 566 V CB 1.517 33.199 31.823 -0.235 0.000 1.025 566 V HN 0.414 nan 8.190 nan 0.000 0.432 567 N N 1.000 119.193 118.700 -0.846 0.000 2.431 567 N HA 0.266 5.006 4.740 0.001 0.000 0.289 567 N C 1.064 176.430 175.510 -0.239 0.000 1.277 567 N CA 0.226 53.017 53.050 -0.432 0.000 0.972 567 N CB -0.222 38.050 38.487 -0.359 0.000 1.143 567 N HN 0.912 nan 8.380 nan 0.000 0.578 568 T N -4.855 109.607 114.554 -0.154 0.000 3.113 568 T HA 0.018 4.369 4.350 0.001 0.000 0.263 568 T C 0.103 174.724 174.700 -0.132 0.000 1.143 568 T CA 0.618 62.628 62.100 -0.150 0.000 1.090 568 T CB -0.392 68.412 68.868 -0.106 0.000 0.922 568 T HN 0.438 nan 8.240 nan 0.000 0.521 569 D N 0.948 121.259 120.400 -0.149 0.000 2.340 569 D HA 0.199 4.839 4.640 0.001 0.000 0.217 569 D C 0.558 176.851 176.300 -0.013 0.000 1.081 569 D CA 0.082 54.011 54.000 -0.118 0.000 0.842 569 D CB 0.179 40.784 40.800 -0.325 0.000 0.934 569 D HN 0.316 nan 8.370 nan 0.000 0.511 570 S N 0.221 115.879 115.700 -0.069 0.000 3.382 570 S HA -0.247 4.223 4.470 0.001 0.000 0.293 570 S C 0.560 175.109 174.600 -0.085 0.000 1.262 570 S CA 0.442 58.633 58.200 -0.014 0.000 0.969 570 S CB -1.254 62.028 63.200 0.137 0.000 1.136 570 S HN 0.456 nan 8.310 nan 0.000 0.635 571 R N 1.242 121.567 120.500 -0.291 0.000 2.308 571 R HA 0.444 4.785 4.340 0.001 0.000 0.305 571 R C -0.023 175.949 176.300 -0.547 0.000 1.053 571 R CA -0.352 55.386 56.100 -0.605 0.000 0.957 571 R CB 0.645 30.545 30.300 -0.667 0.000 1.022 571 R HN 0.134 nan 8.270 nan 0.000 0.461 572 V N 6.304 125.937 119.914 -0.468 0.000 2.529 572 V HA -0.012 4.108 4.120 0.001 0.000 0.292 572 V C 0.147 176.167 176.094 -0.122 0.000 1.028 572 V CA 0.272 62.386 62.300 -0.311 0.000 1.074 572 V CB -0.131 31.502 31.823 -0.318 0.000 0.958 572 V HN 0.560 nan 8.190 nan 0.000 0.481 573 F N 4.057 124.039 119.950 0.053 0.000 2.623 573 F HA 0.401 4.928 4.527 0.001 0.000 0.383 573 F C 1.550 177.481 175.800 0.218 0.000 1.077 573 F CA 1.535 59.594 58.000 0.100 0.000 1.268 573 F CB -0.016 39.037 39.000 0.089 0.000 1.053 573 F HN 0.782 nan 8.300 nan 0.000 0.571 574 G N 2.201 111.190 108.800 0.315 0.000 2.284 574 G HA2 -0.281 3.679 3.960 0.001 0.000 0.230 574 G HA3 -0.281 3.679 3.960 0.001 0.000 0.230 574 G C -0.097 174.761 174.900 -0.069 0.000 1.021 574 G CA -0.557 44.624 45.100 0.135 0.000 0.619 574 G HN 0.425 nan 8.290 nan 0.000 0.510 575 F N 1.390 121.371 119.950 0.050 0.000 2.415 575 F HA 0.658 5.185 4.527 0.001 0.000 0.348 575 F C 1.317 177.109 175.800 -0.012 0.000 1.119 575 F CA -0.933 57.081 58.000 0.025 0.000 1.069 575 F CB 1.742 40.755 39.000 0.023 0.000 1.124 575 F HN -0.242 nan 8.300 nan 0.000 0.472 576 K N 1.773 122.272 120.400 0.164 0.000 2.148 576 K HA -0.072 4.248 4.320 0.001 0.000 0.204 576 K C 0.913 177.736 176.600 0.371 0.000 1.050 576 K CA 0.993 57.419 56.287 0.232 0.000 0.942 576 K CB -0.156 32.484 32.500 0.233 0.000 0.724 576 K HN 0.662 nan 8.250 nan 0.000 0.446 577 N N -0.243 118.641 118.700 0.307 0.000 2.305 577 N HA 0.039 4.780 4.740 0.001 0.000 0.248 577 N C -0.716 174.925 175.510 0.219 0.000 1.290 577 N CA -0.341 52.941 53.050 0.387 0.000 0.873 577 N CB -0.037 38.732 38.487 0.470 0.000 1.261 577 N HN -0.062 nan 8.380 nan 0.000 0.504 578 L N 0.754 121.889 121.223 -0.148 0.000 2.349 578 L HA 0.685 5.025 4.340 0.001 0.000 0.278 578 L C -1.789 174.707 176.870 -0.624 0.000 0.996 578 L CA -0.595 54.120 54.840 -0.209 0.000 0.825 578 L CB 0.863 42.785 42.059 -0.228 0.000 1.243 578 L HN -0.038 nan 8.230 nan 0.000 0.412 579 F N 5.022 124.878 119.950 -0.157 0.000 2.551 579 F HA 0.650 5.177 4.527 0.001 0.000 0.316 579 F C -0.589 175.043 175.800 -0.280 0.000 1.089 579 F CA -0.670 57.216 58.000 -0.191 0.000 0.915 579 F CB 1.828 40.734 39.000 -0.156 0.000 1.186 579 F HN 0.184 nan 8.300 nan 0.000 0.456 580 L N 2.153 123.307 121.223 -0.114 0.000 2.346 580 L HA 0.881 5.222 4.340 0.001 0.000 0.276 580 L C 0.090 176.949 176.870 -0.018 0.000 1.006 580 L CA -0.854 53.854 54.840 -0.220 0.000 0.817 580 L CB 1.867 43.631 42.059 -0.492 0.000 1.272 580 L HN 0.774 nan 8.230 nan 0.000 0.421 581 G N 0.415 109.224 108.800 0.014 0.000 2.495 581 G HA2 0.775 4.736 3.960 0.001 0.000 0.318 581 G HA3 0.775 4.736 3.960 0.001 0.000 0.318 581 G C -0.403 174.618 174.900 0.203 0.000 1.257 581 G CA -0.214 45.007 45.100 0.202 0.000 0.962 581 G HN 0.976 nan 8.290 nan 0.000 0.483 582 G N -0.880 108.036 108.800 0.194 0.000 2.331 582 G HA2 0.025 3.985 3.960 0.001 0.000 0.402 582 G HA3 0.025 3.985 3.960 0.001 0.000 0.402 582 G C 0.814 175.763 174.900 0.082 0.000 1.275 582 G CA 0.068 45.251 45.100 0.139 0.000 1.003 582 G HN 1.138 nan 8.290 nan 0.000 0.500 583 C N 0.697 120.022 119.300 0.042 0.000 2.419 583 C HA 0.206 4.667 4.460 0.001 0.000 0.283 583 C C 2.998 177.959 174.990 -0.047 0.000 1.373 583 C CA 1.843 60.863 59.018 0.005 0.000 1.781 583 C CB -1.337 26.439 27.740 0.060 0.000 1.886 583 C HN 1.246 nan 8.230 nan 0.000 0.520 584 G N 1.004 109.671 108.800 -0.222 0.000 2.471 584 G HA2 -0.184 3.776 3.960 0.001 0.000 0.219 584 G HA3 -0.184 3.776 3.960 0.001 0.000 0.219 584 G C 1.421 175.955 174.900 -0.610 0.000 1.125 584 G CA 0.558 45.286 45.100 -0.620 0.000 0.775 584 G HN 0.536 nan 8.290 nan 0.000 0.548 585 N N 0.423 118.965 118.700 -0.263 0.000 2.309 585 N HA 0.004 4.744 4.740 0.001 0.000 0.182 585 N C 0.893 176.416 175.510 0.023 0.000 1.018 585 N CA 0.233 53.296 53.050 0.022 0.000 0.876 585 N CB 0.018 38.567 38.487 0.104 0.000 0.972 585 N HN 0.307 nan 8.380 nan 0.000 0.434 586 I N 2.856 123.438 120.570 0.021 0.000 2.452 586 I HA 0.043 4.213 4.170 0.001 0.000 0.287 586 I C -1.352 174.855 176.117 0.151 0.000 1.079 586 I CA -1.066 60.277 61.300 0.071 0.000 1.387 586 I CB 1.338 39.339 38.000 0.000 0.000 1.404 586 I HN -0.065 nan 8.210 nan 0.000 0.522 587 P HA 0.059 nan 4.420 nan 0.000 0.264 587 P C 0.318 177.705 177.300 0.146 0.000 1.259 587 P CA 0.222 63.392 63.100 0.116 0.000 0.841 587 P CB 0.221 31.948 31.700 0.045 0.000 1.232 588 T N -2.246 112.430 114.554 0.204 0.000 2.897 588 T HA 0.674 5.024 4.350 0.001 0.000 0.278 588 T C 0.195 175.031 174.700 0.227 0.000 0.981 588 T CA -0.847 61.364 62.100 0.186 0.000 0.973 588 T CB 1.131 70.091 68.868 0.154 0.000 1.092 588 T HN 0.056 nan 8.240 nan 0.000 0.543 589 A N 1.949 124.834 122.820 0.108 0.000 2.310 589 A HA 0.597 4.917 4.320 0.001 0.000 0.300 589 A C -0.629 176.919 177.584 -0.059 0.000 1.269 589 A CA -0.854 51.192 52.037 0.014 0.000 0.909 589 A CB -0.953 18.076 19.000 0.048 0.000 1.144 589 A HN 0.868 nan 8.150 nan 0.000 0.540 590 Y N -0.330 119.883 120.300 -0.144 0.000 2.462 590 Y HA 0.713 5.263 4.550 0.001 0.000 0.346 590 Y C 0.742 176.526 175.900 -0.194 0.000 0.976 590 Y CA -0.737 57.088 58.100 -0.458 0.000 1.044 590 Y CB 1.439 39.397 38.460 -0.837 0.000 1.230 590 Y HN 0.370 nan 8.280 nan 0.000 0.455 591 G N 0.627 109.363 108.800 -0.108 0.000 2.709 591 G HA2 0.394 4.354 3.960 0.001 0.000 0.208 591 G HA3 0.394 4.354 3.960 0.001 0.000 0.208 591 G C 0.431 175.449 174.900 0.197 0.000 1.129 591 G CA 0.205 45.448 45.100 0.238 0.000 0.793 591 G HN 0.947 nan 8.290 nan 0.000 0.524 592 A N 0.715 123.476 122.820 -0.098 0.000 2.313 592 A HA 0.506 4.827 4.320 0.001 0.000 0.261 592 A C -0.141 177.383 177.584 -0.098 0.000 1.090 592 A CA -0.517 51.362 52.037 -0.265 0.000 0.807 592 A CB 0.113 18.918 19.000 -0.324 0.000 1.055 592 A HN 0.335 nan 8.150 nan 0.000 0.492 593 N N 1.738 120.251 118.700 -0.312 0.000 2.475 593 N HA 0.274 5.014 4.740 0.001 0.000 0.267 593 N C -2.081 173.339 175.510 -0.151 0.000 1.169 593 N CA -1.128 51.688 53.050 -0.390 0.000 0.947 593 N CB 0.506 38.835 38.487 -0.263 0.000 1.061 593 N HN 0.391 nan 8.380 nan 0.000 0.466 594 P HA -0.016 nan 4.420 nan 0.000 0.240 594 P C 0.499 177.689 177.300 -0.184 0.000 1.190 594 P CA 0.702 63.691 63.100 -0.186 0.000 0.781 594 P CB 0.295 31.853 31.700 -0.237 0.000 0.931 595 T N 0.926 115.447 114.554 -0.055 0.000 2.746 595 T HA -0.133 4.217 4.350 0.001 0.000 0.267 595 T C 1.760 176.539 174.700 0.132 0.000 1.039 595 T CA 0.970 63.098 62.100 0.047 0.000 1.142 595 T CB -0.805 68.106 68.868 0.070 0.000 0.866 595 T HN 0.019 nan 8.240 nan 0.000 0.444 596 L N 1.092 122.407 121.223 0.153 0.000 2.083 596 L HA -0.091 4.249 4.340 0.001 0.000 0.209 596 L C 2.504 179.450 176.870 0.127 0.000 1.083 596 L CA 1.731 56.716 54.840 0.241 0.000 0.752 596 L CB -1.038 41.145 42.059 0.208 0.000 0.899 596 L HN 0.194 nan 8.230 nan 0.000 0.433 597 T N -0.419 114.076 114.554 -0.098 0.000 2.708 597 T HA -0.144 4.207 4.350 0.001 0.000 0.266 597 T C 1.911 176.530 174.700 -0.134 0.000 1.037 597 T CA 1.279 63.228 62.100 -0.252 0.000 1.146 597 T CB -0.528 67.776 68.868 -0.940 0.000 0.865 597 T HN 0.507 nan 8.240 nan 0.000 0.435 598 A N 1.432 124.177 122.820 -0.125 0.000 1.933 598 A HA -0.070 4.250 4.320 0.001 0.000 0.218 598 A C 2.314 179.870 177.584 -0.046 0.000 1.175 598 A CA 1.820 53.824 52.037 -0.056 0.000 0.628 598 A CB -0.730 18.256 19.000 -0.023 0.000 0.814 598 A HN 0.525 nan 8.150 nan 0.000 0.444 599 M N -0.398 119.183 119.600 -0.032 0.000 2.086 599 M HA -0.144 4.337 4.480 0.001 0.000 0.261 599 M C 2.218 178.429 176.300 -0.148 0.000 1.067 599 M CA 2.122 57.374 55.300 -0.080 0.000 1.116 599 M CB -0.174 32.385 32.600 -0.068 0.000 1.348 599 M HN 0.373 nan 8.290 nan 0.000 0.407 600 S N 1.191 116.808 115.700 -0.138 0.000 2.365 600 S HA -0.174 4.296 4.470 0.001 0.000 0.225 600 S C 1.758 176.172 174.600 -0.309 0.000 1.039 600 S CA 1.627 59.680 58.200 -0.246 0.000 1.033 600 S CB -0.648 62.376 63.200 -0.294 0.000 0.887 600 S HN 0.519 nan 8.310 nan 0.000 0.447 601 L N 0.951 122.032 121.223 -0.236 0.000 2.083 601 L HA -0.144 4.196 4.340 0.001 0.000 0.209 601 L C 2.764 179.507 176.870 -0.213 0.000 1.083 601 L CA 1.144 55.846 54.840 -0.231 0.000 0.752 601 L CB -0.721 41.272 42.059 -0.110 0.000 0.899 601 L HN 0.333 nan 8.230 nan 0.000 0.433 602 A N 0.372 123.059 122.820 -0.222 0.000 1.933 602 A HA -0.159 4.162 4.320 0.001 0.000 0.218 602 A C 2.213 179.472 177.584 -0.542 0.000 1.175 602 A CA 1.364 53.153 52.037 -0.412 0.000 0.628 602 A CB -0.573 18.185 19.000 -0.404 0.000 0.814 602 A HN 0.343 nan 8.150 nan 0.000 0.444 603 I N -0.490 119.857 120.570 -0.372 0.000 2.179 603 I HA -0.282 3.889 4.170 0.001 0.000 0.242 603 I C 2.550 178.505 176.117 -0.269 0.000 1.088 603 I CA 1.958 63.073 61.300 -0.308 0.000 1.357 603 I CB -0.269 37.563 38.000 -0.280 0.000 1.051 603 I HN 0.393 nan 8.210 nan 0.000 0.409 604 K N 0.610 120.849 120.400 -0.268 0.000 2.057 604 K HA -0.213 4.107 4.320 0.001 0.000 0.207 604 K C 2.350 178.869 176.600 -0.134 0.000 1.049 604 K CA 1.782 57.942 56.287 -0.211 0.000 0.931 604 K CB -0.129 32.208 32.500 -0.272 0.000 0.714 604 K HN 0.109 nan 8.250 nan 0.000 0.440 605 S N -0.097 115.512 115.700 -0.151 0.000 2.370 605 S HA -0.172 4.299 4.470 0.001 0.000 0.226 605 S C 2.019 176.555 174.600 -0.107 0.000 1.033 605 S CA 1.474 59.641 58.200 -0.054 0.000 1.011 605 S CB -0.489 62.735 63.200 0.039 0.000 0.852 605 S HN 0.580 nan 8.310 nan 0.000 0.457 606 C N 1.356 120.499 119.300 -0.262 0.000 2.435 606 C HA 0.037 4.497 4.460 0.001 0.000 0.279 606 C C 2.501 177.415 174.990 -0.126 0.000 1.321 606 C CA 0.622 59.490 59.018 -0.251 0.000 1.752 606 C CB -1.420 26.121 27.740 -0.331 0.000 1.959 606 C HN 0.680 nan 8.230 nan 0.000 0.500 607 E N -0.561 119.590 120.200 -0.082 0.000 2.077 607 E HA -0.253 4.098 4.350 0.001 0.000 0.193 607 E C 1.820 178.445 176.600 0.041 0.000 0.989 607 E CA 1.482 57.867 56.400 -0.025 0.000 0.800 607 E CB -0.302 29.377 29.700 -0.035 0.000 0.746 607 E HN 0.828 nan 8.360 nan 0.000 0.452 608 Y N 1.187 121.468 120.300 -0.031 0.000 2.145 608 Y HA -0.231 4.320 4.550 0.001 0.000 0.286 608 Y C 1.988 177.937 175.900 0.081 0.000 1.145 608 Y CA 1.556 59.684 58.100 0.047 0.000 1.148 608 Y CB -0.079 38.450 38.460 0.115 0.000 0.981 608 Y HN -0.052 nan 8.280 nan 0.000 0.507 609 I N 0.327 120.955 120.570 0.096 0.000 2.226 609 I HA -0.343 3.828 4.170 0.001 0.000 0.245 609 I C 2.338 178.496 176.117 0.068 0.000 1.100 609 I CA 1.684 62.994 61.300 0.016 0.000 1.374 609 I CB -0.416 37.364 38.000 -0.367 0.000 1.057 609 I HN 0.183 nan 8.210 nan 0.000 0.413 610 K N 0.376 120.785 120.400 0.015 0.000 2.097 610 K HA -0.213 4.107 4.320 0.001 0.000 0.206 610 K C 2.078 178.724 176.600 0.078 0.000 1.049 610 K CA 1.311 57.671 56.287 0.121 0.000 0.933 610 K CB -0.158 32.389 32.500 0.077 0.000 0.717 610 K HN 0.445 nan 8.250 nan 0.000 0.442 611 Q N -0.144 119.638 119.800 -0.030 0.000 2.369 611 Q HA -0.019 4.321 4.340 0.001 0.000 0.206 611 Q C 0.982 176.883 176.000 -0.166 0.000 0.963 611 Q CA 0.702 56.447 55.803 -0.098 0.000 0.894 611 Q CB 0.244 28.899 28.738 -0.138 0.000 0.965 611 Q HN 0.322 nan 8.270 nan 0.000 0.475 612 N N -1.340 117.244 118.700 -0.192 0.000 2.145 612 N HA 0.145 4.886 4.740 0.001 0.000 0.219 612 N C -0.949 174.255 175.510 -0.510 0.000 1.266 612 N CA 0.192 53.008 53.050 -0.389 0.000 0.902 612 N CB 1.063 39.140 38.487 -0.684 0.000 1.078 612 N HN -0.015 nan 8.380 nan 0.000 0.513 613 F N 0.636 120.604 119.950 0.030 0.000 2.569 613 F HA 0.337 4.865 4.527 0.001 0.000 0.312 613 F C 0.055 175.973 175.800 0.197 0.000 1.109 613 F CA -0.639 57.441 58.000 0.133 0.000 0.919 613 F CB 1.955 41.054 39.000 0.164 0.000 1.211 613 F HN -0.375 nan 8.300 nan 0.000 0.446 614 T N 4.409 119.112 114.554 0.249 0.000 2.767 614 T HA 0.372 4.723 4.350 0.001 0.000 0.288 614 T C -2.559 172.108 174.700 -0.054 0.000 0.963 614 T CA -1.404 60.731 62.100 0.058 0.000 1.019 614 T CB 0.995 69.870 68.868 0.011 0.000 0.923 614 T HN 0.153 nan 8.240 nan 0.000 0.468 615 P HA 0.134 nan 4.420 nan 0.000 0.267 615 P C 0.100 177.292 177.300 -0.181 0.000 1.205 615 P CA -0.436 62.354 63.100 -0.517 0.000 0.765 615 P CB 0.277 31.522 31.700 -0.759 0.000 0.828 616 S N 3.932 119.578 115.700 -0.090 0.000 2.566 616 S HA 0.205 4.675 4.470 0.001 0.000 0.280 616 S C -2.160 172.411 174.600 -0.049 0.000 1.343 616 S CA -0.863 57.309 58.200 -0.047 0.000 1.036 616 S CB -1.030 62.150 63.200 -0.034 0.000 0.866 616 S HN 0.308 nan 8.310 nan 0.000 0.526 617 P HA 0.209 nan 4.420 nan 0.000 0.275 617 P C -0.562 176.783 177.300 0.075 0.000 1.228 617 P CA -0.619 62.498 63.100 0.029 0.000 0.786 617 P CB 0.131 31.850 31.700 0.031 0.000 0.927 618 F N 2.706 122.642 119.950 -0.024 0.000 2.506 618 F HA 0.107 4.634 4.527 0.001 0.000 0.353 618 F C 0.959 176.753 175.800 -0.011 0.000 1.194 618 F CA 0.557 58.550 58.000 -0.013 0.000 1.048 618 F CB -0.718 38.276 39.000 -0.009 0.000 1.160 618 F HN 0.149 nan 8.300 nan 0.000 0.598 619 T N 0.000 114.655 114.554 0.168 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.183 62.100 0.138 0.000 1.349 619 T CB 0.000 68.889 68.868 0.035 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658