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 8jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHCWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 4.460 4.460 0.000 0.000 0.325 64 C C 0.000 174.955 174.990 -0.059 0.000 1.270 64 C CA 0.000 59.001 59.018 -0.029 0.000 1.963 64 C CB 0.000 27.730 27.740 -0.017 0.000 2.134 65 P HA -0.074 4.346 4.420 0.000 0.000 0.219 65 P C -1.325 175.807 177.300 -0.280 0.000 1.150 65 P CA 0.755 63.772 63.100 -0.138 0.000 0.814 65 P CB 0.468 32.112 31.700 -0.093 0.000 0.787 66 V N -2.362 117.370 119.914 -0.303 0.000 2.407 66 V HA 0.301 4.421 4.120 0.000 0.000 0.278 66 V C -0.637 175.324 176.094 -0.221 0.000 1.037 66 V CA -0.634 61.471 62.300 -0.325 0.000 0.900 66 V CB -0.325 31.307 31.823 -0.319 0.000 0.983 66 V HN -0.357 7.672 8.190 -0.225 0.026 0.459 67 S N 7.246 122.801 115.700 -0.243 0.000 2.288 67 S HA 0.164 4.634 4.470 0.000 0.000 0.258 67 S C -2.582 171.819 174.600 -0.332 0.000 0.919 67 S CA 1.089 59.120 58.200 -0.283 0.000 1.010 67 S CB 1.694 64.796 63.200 -0.163 0.000 1.231 67 S HN 0.791 8.950 8.310 -0.252 0.000 0.403 68 S N 6.523 121.936 115.700 -0.477 0.000 2.668 68 S HA 0.433 4.903 4.470 0.000 0.000 0.277 68 S C -1.317 173.009 174.600 -0.457 0.000 1.170 68 S CA -0.996 56.986 58.200 -0.365 0.000 0.994 68 S CB 1.340 64.405 63.200 -0.224 0.000 1.051 68 S HN 0.013 7.984 8.310 -0.565 0.000 0.484 69 Y N 5.271 125.536 120.300 -0.058 0.000 2.445 69 Y HA 0.162 4.712 4.550 0.000 0.000 0.247 69 Y C -1.367 174.483 175.900 -0.083 0.000 1.129 69 Y CA -0.354 57.744 58.100 -0.003 0.000 1.251 69 Y CB 1.300 39.807 38.460 0.079 0.000 1.176 69 Y HN 0.759 9.008 8.280 -0.052 0.000 0.522 70 N N -3.924 114.678 118.700 -0.164 0.000 3.277 70 N HA 0.123 4.863 4.740 0.000 0.000 0.278 70 N C -0.651 174.586 175.510 -0.455 0.000 1.544 70 N CA -0.664 52.093 53.050 -0.488 0.000 0.869 70 N CB 1.187 38.876 38.487 -1.330 0.000 1.584 70 N HN -0.868 7.405 8.380 -0.178 0.000 0.564 71 E N -3.054 116.873 120.200 -0.456 0.000 2.479 71 E HA 0.035 4.385 4.350 0.000 0.000 0.193 71 E C -0.706 175.952 176.600 0.096 0.000 1.049 71 E CA 0.959 57.356 56.400 -0.005 0.000 0.870 71 E CB -0.166 29.693 29.700 0.265 0.000 0.944 71 E HN 0.147 8.077 8.360 -0.718 0.000 0.492 72 W N -5.845 115.467 121.300 0.021 0.000 2.520 72 W HA 0.256 4.916 4.660 0.000 0.000 0.272 72 W C -1.259 175.256 176.519 -0.006 0.000 0.984 72 W CA -1.220 56.115 57.345 -0.016 0.000 1.314 72 W CB 0.669 30.084 29.460 -0.075 0.000 0.945 72 W HN -0.508 7.292 8.180 -0.984 -0.210 0.596 73 D N 2.545 122.849 120.400 -0.160 0.000 2.443 73 D HA 0.059 4.699 4.640 0.000 0.000 0.234 73 D C -1.493 174.825 176.300 0.030 0.000 1.172 73 D CA 0.604 54.606 54.000 0.003 0.000 0.878 73 D CB -0.181 40.590 40.800 -0.048 0.000 1.204 73 D HN -0.273 8.100 8.370 -0.567 -0.343 0.453 74 P HA -0.177 4.243 4.420 0.000 0.000 0.255 74 P C -1.347 175.959 177.300 0.010 0.000 1.173 74 P CA 0.718 63.837 63.100 0.031 0.000 0.780 74 P CB -0.194 31.526 31.700 0.034 0.000 0.758 75 L N 5.962 127.188 121.223 0.006 0.000 2.410 75 L HA -0.111 4.229 4.340 0.000 0.000 0.273 75 L C -1.024 175.843 176.870 -0.004 0.000 1.152 75 L CA 1.139 55.977 54.840 -0.004 0.000 0.855 75 L CB 0.613 42.672 42.059 -0.000 0.000 1.129 75 L HN 0.406 8.539 8.230 0.011 0.104 0.463 76 E N 3.738 123.932 120.200 -0.011 0.000 2.414 76 E HA 0.202 4.552 4.350 0.000 0.000 0.208 76 E C -0.693 175.906 176.600 -0.001 0.000 0.820 76 E CA 0.519 56.916 56.400 -0.006 0.000 1.143 76 E CB 3.234 32.927 29.700 -0.011 0.000 1.150 76 E HN 0.687 9.035 8.360 -0.020 0.000 0.540 77 E N -1.494 118.700 120.200 -0.009 0.000 2.331 77 E HA 0.699 5.049 4.350 0.000 0.000 0.275 77 E C -2.813 173.796 176.600 0.014 0.000 0.895 77 E CA -0.738 55.668 56.400 0.011 0.000 0.753 77 E CB 4.306 34.010 29.700 0.006 0.000 1.216 77 E HN -0.529 7.817 8.360 -0.024 0.000 0.434 78 V N 4.032 123.976 119.914 0.049 0.000 3.120 78 V HA 0.704 4.824 4.120 0.000 0.000 0.303 78 V C -2.341 173.811 176.094 0.097 0.000 1.238 78 V CA -1.482 60.851 62.300 0.055 0.000 1.008 78 V CB 4.572 36.423 31.823 0.047 0.000 1.064 78 V HN 0.773 9.002 8.190 0.065 0.000 0.434 79 I N 5.397 126.032 120.570 0.108 0.000 2.377 79 I HA 0.614 4.784 4.170 0.000 0.000 0.293 79 I C -1.504 174.702 176.117 0.148 0.000 0.987 79 I CA -1.016 60.372 61.300 0.147 0.000 1.185 79 I CB 2.202 40.313 38.000 0.186 0.000 1.341 79 I HN 0.363 8.621 8.210 0.080 0.000 0.455 80 V N 5.901 125.914 119.914 0.164 0.000 2.448 80 V HA 0.579 4.699 4.120 0.000 0.000 0.295 80 V C 0.404 176.642 176.094 0.239 0.000 1.025 80 V CA -2.141 60.281 62.300 0.204 0.000 0.859 80 V CB 1.516 33.443 31.823 0.173 0.000 0.988 80 V HN 0.482 8.761 8.190 0.150 0.000 0.431 81 G N 6.246 115.222 108.800 0.293 0.000 2.647 81 G HA2 0.165 4.125 3.960 0.000 0.000 0.271 81 G HA3 0.165 4.125 3.960 0.000 0.000 0.271 81 G C -1.813 173.268 174.900 0.301 0.000 1.300 81 G CA 0.083 45.310 45.100 0.213 0.000 0.997 81 G HN 0.687 9.169 8.290 0.321 0.000 0.533 82 R N -1.217 119.395 120.500 0.187 0.000 2.686 82 R HA 0.318 4.658 4.340 0.000 0.000 0.283 82 R C -0.863 175.566 176.300 0.214 0.000 0.978 82 R CA -1.338 54.902 56.100 0.233 0.000 0.897 82 R CB 3.101 33.500 30.300 0.164 0.000 1.192 82 R HN -0.009 8.167 8.270 0.034 0.114 0.457 83 A N 3.392 126.388 122.820 0.294 0.000 2.220 83 A HA 0.076 4.396 4.320 0.000 0.000 0.211 83 A C -0.152 177.576 177.584 0.240 0.000 1.176 83 A CA 0.733 52.930 52.037 0.268 0.000 0.834 83 A CB 0.335 19.523 19.000 0.314 0.000 0.868 83 A HN 0.496 8.812 8.150 0.277 0.000 0.488 84 E N 0.143 120.476 120.200 0.222 0.000 2.465 84 E HA -0.217 4.133 4.350 0.000 0.000 0.260 84 E C -0.602 176.192 176.600 0.324 0.000 0.980 84 E CA 1.248 57.773 56.400 0.208 0.000 0.927 84 E CB -0.441 29.349 29.700 0.151 0.000 0.934 84 E HN -0.044 8.394 8.360 0.204 0.044 0.459 85 N N -2.755 116.087 118.700 0.237 0.000 2.708 85 N HA -0.424 4.316 4.740 0.000 0.000 0.251 85 N C -1.121 174.835 175.510 0.744 0.000 1.123 85 N CA 0.914 54.176 53.050 0.353 0.000 0.739 85 N CB -1.675 37.029 38.487 0.363 0.000 1.113 85 N HN 0.277 8.718 8.380 0.101 0.000 0.561 86 A N -1.539 121.655 122.820 0.623 0.000 2.520 86 A HA 0.000 4.320 4.320 0.000 0.000 0.245 86 A C -0.759 177.264 177.584 0.732 0.000 1.072 86 A CA 0.693 53.132 52.037 0.669 0.000 0.761 86 A CB 0.692 20.078 19.000 0.644 0.000 1.004 86 A HN -0.638 7.755 8.150 0.476 0.043 0.499 87 C N 3.242 122.837 119.300 0.492 0.000 2.456 87 C HA 0.574 5.034 4.460 0.000 0.000 0.325 87 C C 0.209 175.085 174.990 -0.190 0.000 1.217 87 C CA -0.833 58.258 59.018 0.121 0.000 1.687 87 C CB 2.555 30.312 27.740 0.030 0.000 2.270 87 C HN 0.432 8.805 8.230 0.423 0.111 0.499 88 V N 5.151 124.654 119.914 -0.685 0.000 2.529 88 V HA 0.143 4.263 4.120 0.000 0.000 0.292 88 V C -1.576 174.333 176.094 -0.307 0.000 1.028 88 V CA -1.272 60.513 62.300 -0.859 0.000 1.074 88 V CB 0.293 31.478 31.823 -1.064 0.000 0.958 88 V HN 0.991 8.799 8.190 -0.636 0.000 0.481 89 P HA 0.445 4.865 4.420 0.000 0.000 0.274 89 P C -2.566 174.712 177.300 -0.037 0.000 1.231 89 P CA -2.601 60.493 63.100 -0.010 0.000 0.790 89 P CB -0.468 31.278 31.700 0.077 0.000 0.951 90 P HA -0.040 4.380 4.420 0.000 0.000 0.267 90 P C -1.232 176.041 177.300 -0.044 0.000 1.200 90 P CA 0.258 63.304 63.100 -0.089 0.000 0.772 90 P CB 0.412 32.031 31.700 -0.134 0.000 0.855 91 F N 4.510 124.334 119.950 -0.211 0.000 2.661 91 F HA 0.085 4.612 4.527 0.000 0.000 0.356 91 F C -1.396 174.200 175.800 -0.339 0.000 1.244 91 F CA -2.054 55.780 58.000 -0.277 0.000 1.290 91 F CB -0.895 37.986 39.000 -0.199 0.000 1.677 91 F HN 0.274 8.637 8.300 0.105 0.000 0.649 92 T N -0.117 114.157 114.554 -0.466 0.000 2.912 92 T HA 0.250 4.600 4.350 0.000 0.000 0.280 92 T C 0.927 175.201 174.700 -0.711 0.000 0.989 92 T CA -2.815 58.956 62.100 -0.549 0.000 0.995 92 T CB 2.597 71.155 68.868 -0.516 0.000 1.077 92 T HN -0.555 7.387 8.240 -0.426 0.043 0.531 93 I N 1.115 121.317 120.570 -0.613 0.000 2.145 93 I HA -0.519 3.651 4.170 0.000 0.000 0.244 93 I C 0.602 176.393 176.117 -0.543 0.000 1.075 93 I CA 3.194 64.169 61.300 -0.540 0.000 1.332 93 I CB 0.063 37.845 38.000 -0.363 0.000 1.033 93 I HN 0.557 8.448 8.210 -0.531 0.000 0.410 94 E N -1.778 118.037 120.200 -0.641 0.000 2.204 94 E HA -0.289 4.061 4.350 0.000 0.000 0.194 94 E C 1.496 177.685 176.600 -0.685 0.000 0.989 94 E CA 2.626 58.695 56.400 -0.552 0.000 0.824 94 E CB -1.159 28.223 29.700 -0.529 0.000 0.756 94 E HN 0.135 8.028 8.360 -0.778 0.000 0.477 95 V N 1.565 120.927 119.914 -0.920 0.000 2.323 95 V HA -0.325 3.795 4.120 0.000 0.000 0.244 95 V C 2.186 177.939 176.094 -0.568 0.000 1.041 95 V CA 3.651 65.401 62.300 -0.916 0.000 1.025 95 V CB -0.662 30.684 31.823 -0.795 0.000 0.656 95 V HN -0.324 7.219 8.190 -0.896 0.109 0.451 96 K N -0.314 119.614 120.400 -0.787 0.000 2.103 96 K HA -0.381 3.939 4.320 0.000 0.000 0.207 96 K C 2.188 178.606 176.600 -0.304 0.000 1.048 96 K CA 3.236 58.994 56.287 -0.882 0.000 0.930 96 K CB -0.234 31.484 32.500 -1.303 0.000 0.716 96 K HN 0.119 7.820 8.250 -0.915 0.000 0.444 97 A N -4.014 118.683 122.820 -0.205 0.000 2.225 97 A HA -0.172 4.148 4.320 0.000 0.000 0.215 97 A C 0.756 178.406 177.584 0.111 0.000 1.164 97 A CA 2.097 54.156 52.037 0.036 0.000 0.710 97 A CB -0.481 18.506 19.000 -0.022 0.000 0.780 97 A HN 0.011 7.950 8.150 -0.335 0.010 0.473 98 N N -5.335 113.424 118.700 0.099 0.000 2.273 98 N HA 0.101 4.841 4.740 0.000 0.000 0.192 98 N C -0.316 175.345 175.510 0.253 0.000 1.132 98 N CA 0.271 53.437 53.050 0.193 0.000 0.887 98 N CB 2.006 40.694 38.487 0.335 0.000 1.048 98 N HN -0.214 7.961 8.380 -0.013 0.197 0.490 99 T N 4.040 118.783 114.554 0.316 0.000 2.832 99 T HA 0.113 4.463 4.350 0.000 0.000 0.296 99 T C 0.018 175.170 174.700 0.752 0.000 0.968 99 T CA 0.721 63.160 62.100 0.565 0.000 1.107 99 T CB 0.221 69.392 68.868 0.505 0.000 0.916 99 T HN -0.718 7.541 8.240 0.204 0.104 0.517 100 Y N 5.456 126.106 120.300 0.584 0.000 2.425 100 Y HA -0.180 4.370 4.550 0.000 0.000 0.331 100 Y C 1.085 177.013 175.900 0.046 0.000 1.157 100 Y CA 0.668 58.958 58.100 0.316 0.000 1.372 100 Y CB 0.489 39.142 38.460 0.321 0.000 1.253 100 Y HN 0.334 9.197 8.280 0.972 0.000 0.536 101 E N 5.876 125.879 120.200 -0.327 0.000 2.164 101 E HA -0.532 3.818 4.350 0.000 0.000 0.206 101 E C 2.388 178.755 176.600 -0.388 0.000 1.032 101 E CA 4.285 60.138 56.400 -0.911 0.000 0.832 101 E CB -0.208 29.123 29.700 -0.615 0.000 0.742 101 E HN 0.637 8.866 8.360 -0.218 0.000 0.460 102 K N -2.004 118.271 120.400 -0.208 0.000 2.173 102 K HA -0.282 4.038 4.320 0.000 0.000 0.207 102 K C 1.315 177.737 176.600 -0.297 0.000 1.046 102 K CA 2.462 58.555 56.287 -0.323 0.000 0.929 102 K CB -0.343 31.828 32.500 -0.549 0.000 0.720 102 K HN 0.056 8.215 8.250 -0.120 0.019 0.453 103 Y N -6.319 114.196 120.300 0.358 0.000 2.462 103 Y HA 0.116 4.666 4.550 0.000 0.000 0.261 103 Y C 0.947 177.248 175.900 0.668 0.000 1.146 103 Y CA 0.021 58.449 58.100 0.546 0.000 1.283 103 Y CB -0.062 38.843 38.460 0.743 0.000 1.090 103 Y HN -0.039 8.262 8.280 0.267 0.140 0.526 104 W N -0.217 121.295 121.300 0.353 0.000 2.308 104 W HA -0.201 4.459 4.660 0.000 0.000 0.301 104 W C -0.862 175.637 176.519 -0.034 0.000 1.220 104 W CA 3.752 61.172 57.345 0.125 0.000 1.240 104 W CB -3.197 26.439 29.460 0.293 0.000 1.142 104 W HN -0.262 8.190 8.180 0.646 0.116 0.521 105 P HA -0.184 4.236 4.420 0.000 0.000 0.219 105 P C 1.128 178.495 177.300 0.112 0.000 1.150 105 P CA 2.966 66.168 63.100 0.170 0.000 0.814 105 P CB -0.357 31.445 31.700 0.171 0.000 0.787 106 F N 0.431 120.416 119.950 0.058 0.000 2.084 106 F HA -0.365 4.162 4.527 0.000 0.000 0.296 106 F C 1.112 176.758 175.800 -0.258 0.000 1.111 106 F CA 3.801 61.764 58.000 -0.062 0.000 1.224 106 F CB 0.110 39.137 39.000 0.044 0.000 0.991 106 F HN -0.398 8.051 8.300 0.445 0.118 0.471 107 Y N -1.905 118.220 120.300 -0.291 0.000 2.224 107 Y HA -0.557 3.993 4.550 0.000 0.000 0.289 107 Y C 2.592 178.105 175.900 -0.645 0.000 1.146 107 Y CA 4.601 62.320 58.100 -0.634 0.000 1.182 107 Y CB -0.398 37.473 38.460 -0.981 0.000 0.983 107 Y HN -0.080 8.343 8.280 0.238 0.000 0.524 108 Q N -1.691 117.853 119.800 -0.426 0.000 2.124 108 Q HA -0.298 4.042 4.340 0.000 0.000 0.202 108 Q C 1.641 177.553 176.000 -0.146 0.000 0.977 108 Q CA 2.685 58.371 55.803 -0.196 0.000 0.850 108 Q CB -0.146 28.559 28.738 -0.055 0.000 0.901 108 Q HN 0.000 7.854 8.270 -0.402 0.175 0.429 109 K N -3.309 116.972 120.400 -0.199 0.000 2.242 109 K HA 0.029 4.349 4.320 0.000 0.000 0.200 109 K C 1.511 177.945 176.600 -0.277 0.000 1.050 109 K CA 1.265 57.438 56.287 -0.190 0.000 0.981 109 K CB 0.466 32.872 32.500 -0.156 0.000 0.795 109 K HN -0.581 7.449 8.250 -0.225 0.085 0.477 110 Q N -3.107 116.398 119.800 -0.490 0.000 2.402 110 Q HA 0.088 4.428 4.340 0.000 0.000 0.206 110 Q C 0.889 176.704 176.000 -0.309 0.000 0.919 110 Q CA -0.344 55.123 55.803 -0.560 0.000 0.923 110 Q CB 1.057 29.034 28.738 -1.268 0.000 1.048 110 Q HN 0.374 8.176 8.270 -0.605 0.106 0.515 111 G N -1.431 107.174 108.800 -0.325 0.000 2.187 111 G HA2 -0.379 3.581 3.960 0.000 0.000 0.239 111 G HA3 -0.379 3.581 3.960 0.000 0.000 0.239 111 G C -0.114 174.622 174.900 -0.274 0.000 1.200 111 G CA 1.558 46.505 45.100 -0.254 0.000 0.888 111 G HN -0.497 7.582 8.290 -0.351 0.000 0.482 112 G N 5.171 113.774 108.800 -0.327 0.000 2.225 112 G HA2 -0.368 3.592 3.960 0.000 0.000 0.254 112 G HA3 -0.368 3.592 3.960 0.000 0.000 0.254 112 G C -0.585 173.962 174.900 -0.589 0.000 0.988 112 G CA 0.044 44.888 45.100 -0.427 0.000 0.625 112 G HN 0.419 8.429 8.290 -0.291 0.105 0.527 113 H N -0.321 118.536 119.070 -0.356 0.000 2.595 113 H HA 0.271 4.827 4.556 0.000 0.000 0.346 113 H C -1.068 174.038 175.328 -0.370 0.000 1.181 113 H CA -1.422 54.407 56.048 -0.366 0.000 1.242 113 H CB 1.889 31.480 29.762 -0.287 0.000 1.652 113 H HN -0.080 7.921 8.280 -0.320 0.086 0.548 114 Y N -2.478 117.838 120.300 0.026 0.000 2.457 114 Y HA -0.097 4.453 4.550 0.000 0.000 0.341 114 Y C 0.145 176.026 175.900 -0.032 0.000 1.240 114 Y CA 0.904 59.029 58.100 0.043 0.000 1.437 114 Y CB 0.420 38.953 38.460 0.122 0.000 1.328 114 Y HN 0.111 8.334 8.280 -0.094 0.000 0.588 115 F N 3.761 123.821 119.950 0.183 0.000 2.485 115 F HA -0.022 4.505 4.527 0.000 0.000 0.327 115 F C -1.051 174.804 175.800 0.092 0.000 1.203 115 F CA -0.081 57.922 58.000 0.005 0.000 1.295 115 F CB -0.189 38.795 39.000 -0.027 0.000 1.191 115 F HN 0.006 8.649 8.300 0.571 0.000 0.588 116 P HA -0.065 4.355 4.420 0.000 0.000 0.255 116 P C -0.035 177.444 177.300 0.297 0.000 1.173 116 P CA 0.379 63.648 63.100 0.283 0.000 0.780 116 P CB 0.167 32.077 31.700 0.351 0.000 0.758 117 K N 6.903 127.431 120.400 0.214 0.000 2.103 117 K HA -0.427 3.893 4.320 0.000 0.000 0.207 117 K C 1.205 177.897 176.600 0.155 0.000 1.048 117 K CA 3.025 59.406 56.287 0.157 0.000 0.930 117 K CB -0.648 31.906 32.500 0.091 0.000 0.716 117 K HN 0.627 8.990 8.250 0.189 0.000 0.444 118 D N -5.061 115.436 120.400 0.162 0.000 2.144 118 D HA -0.303 4.337 4.640 0.000 0.000 0.199 118 D C 2.117 178.509 176.300 0.153 0.000 0.984 118 D CA 3.514 57.593 54.000 0.131 0.000 0.834 118 D CB -1.015 39.859 40.800 0.123 0.000 0.955 118 D HN 0.520 8.978 8.370 0.169 0.012 0.465 119 H N 1.501 120.671 119.070 0.166 0.000 2.363 119 H HA -0.117 4.439 4.556 0.000 0.000 0.301 119 H C 2.256 177.685 175.328 0.167 0.000 1.074 119 H CA 2.878 59.040 56.048 0.191 0.000 1.354 119 H CB 0.457 30.417 29.762 0.330 0.000 1.397 119 H HN -0.940 7.461 8.280 0.367 0.099 0.516 120 L N -1.196 120.227 121.223 0.334 0.000 2.083 120 L HA -0.476 3.864 4.340 0.000 0.000 0.209 120 L C 1.828 178.781 176.870 0.138 0.000 1.083 120 L CA 3.174 58.163 54.840 0.248 0.000 0.752 120 L CB -0.403 41.789 42.059 0.223 0.000 0.899 120 L HN 0.386 8.745 8.230 0.345 0.078 0.433 121 K N -1.085 119.373 120.400 0.098 0.000 2.103 121 K HA -0.384 3.936 4.320 0.000 0.000 0.207 121 K C 2.170 178.776 176.600 0.010 0.000 1.048 121 K CA 3.945 60.260 56.287 0.046 0.000 0.930 121 K CB -0.293 32.228 32.500 0.036 0.000 0.716 121 K HN -0.179 8.133 8.250 0.118 0.009 0.444 122 K N -1.595 118.795 120.400 -0.017 0.000 2.097 122 K HA -0.253 4.067 4.320 0.000 0.000 0.205 122 K C 2.154 178.710 176.600 -0.073 0.000 1.050 122 K CA 2.843 59.089 56.287 -0.069 0.000 0.938 122 K CB -0.264 32.151 32.500 -0.142 0.000 0.718 122 K HN -0.731 7.514 8.250 -0.007 0.000 0.442 123 A N -0.090 122.709 122.820 -0.034 0.000 1.902 123 A HA -0.186 4.134 4.320 0.000 0.000 0.217 123 A C 2.095 179.626 177.584 -0.087 0.000 1.181 123 A CA 3.140 55.146 52.037 -0.051 0.000 0.623 123 A CB -0.748 18.302 19.000 0.084 0.000 0.818 123 A HN -0.433 7.644 8.150 0.010 0.079 0.443 124 V N -0.827 119.078 119.914 -0.015 0.000 2.287 124 V HA -0.517 3.603 4.120 0.000 0.000 0.248 124 V C 2.050 178.117 176.094 -0.046 0.000 1.053 124 V CA 4.332 66.626 62.300 -0.011 0.000 1.027 124 V CB -1.233 30.604 31.823 0.024 0.000 0.646 124 V HN 0.113 8.317 8.190 0.023 0.000 0.447 125 A N -1.972 120.821 122.820 -0.046 0.000 1.902 125 A HA -0.399 3.921 4.320 0.000 0.000 0.217 125 A C 2.062 179.601 177.584 -0.075 0.000 1.181 125 A CA 3.465 55.472 52.037 -0.050 0.000 0.623 125 A CB -0.857 18.116 19.000 -0.044 0.000 0.818 125 A HN -0.331 7.798 8.150 -0.036 0.000 0.443 126 E N -0.982 119.152 120.200 -0.111 0.000 2.077 126 E HA -0.340 4.010 4.350 0.000 0.000 0.193 126 E C 2.615 179.111 176.600 -0.174 0.000 0.989 126 E CA 3.002 59.316 56.400 -0.144 0.000 0.800 126 E CB -0.079 29.504 29.700 -0.194 0.000 0.746 126 E HN -0.519 7.775 8.360 -0.111 0.000 0.452 127 I N -1.288 119.144 120.570 -0.230 0.000 2.439 127 I HA -0.306 3.864 4.170 0.000 0.000 0.251 127 I C 2.340 178.400 176.117 -0.094 0.000 1.139 127 I CA 2.029 63.189 61.300 -0.233 0.000 1.438 127 I CB -1.414 36.395 38.000 -0.318 0.000 1.085 127 I HN 0.106 8.178 8.210 -0.230 0.000 0.427 128 E N 0.063 120.224 120.200 -0.065 0.000 2.072 128 E HA -0.324 4.026 4.350 0.000 0.000 0.191 128 E C 2.682 179.266 176.600 -0.027 0.000 0.985 128 E CA 2.953 59.335 56.400 -0.029 0.000 0.801 128 E CB -0.789 28.898 29.700 -0.021 0.000 0.750 128 E HN -0.075 8.135 8.360 -0.077 0.104 0.452 129 E N 0.354 120.531 120.200 -0.038 0.000 2.051 129 E HA -0.253 4.097 4.350 0.000 0.000 0.192 129 E C 2.180 178.767 176.600 -0.021 0.000 0.991 129 E CA 2.316 58.699 56.400 -0.030 0.000 0.799 129 E CB -0.508 29.171 29.700 -0.035 0.000 0.748 129 E HN -0.339 7.989 8.360 -0.052 0.000 0.449 130 M N -0.126 119.461 119.600 -0.021 0.000 2.108 130 M HA -0.402 4.078 4.480 0.000 0.000 0.261 130 M C 2.039 178.346 176.300 0.011 0.000 1.066 130 M CA 3.953 59.259 55.300 0.010 0.000 1.107 130 M CB 0.006 32.624 32.600 0.030 0.000 1.356 130 M HN -0.151 8.111 8.290 -0.046 0.000 0.406 131 C N -1.682 117.622 119.300 0.006 0.000 2.440 131 C HA -0.395 4.065 4.460 0.000 0.000 0.278 131 C C 1.963 176.957 174.990 0.007 0.000 1.295 131 C CA 3.733 62.762 59.018 0.017 0.000 1.738 131 C CB -2.054 25.699 27.740 0.022 0.000 1.987 131 C HN 0.059 8.195 8.230 -0.007 0.090 0.492 132 N N 0.721 119.419 118.700 -0.002 0.000 2.120 132 N HA -0.327 4.413 4.740 0.000 0.000 0.188 132 N C 1.988 177.492 175.510 -0.010 0.000 1.024 132 N CA 3.519 56.565 53.050 -0.006 0.000 0.852 132 N CB -0.003 38.478 38.487 -0.010 0.000 1.003 132 N HN -0.328 7.958 8.380 -0.006 0.090 0.424 133 I N 0.481 121.042 120.570 -0.016 0.000 2.286 133 I HA -0.532 3.638 4.170 0.000 0.000 0.248 133 I C 1.475 177.576 176.117 -0.025 0.000 1.115 133 I CA 4.236 65.520 61.300 -0.027 0.000 1.392 133 I CB -0.214 37.762 38.000 -0.040 0.000 1.065 133 I HN 0.198 8.399 8.210 -0.015 0.000 0.418 134 L N -0.622 120.592 121.223 -0.015 0.000 2.042 134 L HA -0.518 3.822 4.340 0.000 0.000 0.210 134 L C 1.983 178.851 176.870 -0.004 0.000 1.076 134 L CA 3.681 58.516 54.840 -0.008 0.000 0.749 134 L CB -0.619 41.447 42.059 0.012 0.000 0.893 134 L HN -0.075 8.076 8.230 -0.007 0.075 0.432 135 K N -1.444 118.956 120.400 0.000 0.000 2.057 135 K HA -0.314 4.006 4.320 0.000 0.000 0.206 135 K C 3.151 179.748 176.600 -0.004 0.000 1.050 135 K CA 3.658 59.946 56.287 0.002 0.000 0.935 135 K CB -0.390 32.112 32.500 0.005 0.000 0.715 135 K HN -0.193 8.058 8.250 0.001 0.000 0.439 136 T N 2.405 116.953 114.554 -0.010 0.000 2.720 136 T HA -0.203 4.147 4.350 0.000 0.000 0.268 136 T C 1.497 176.187 174.700 -0.016 0.000 1.037 136 T CA 3.636 65.728 62.100 -0.014 0.000 1.144 136 T CB -0.374 68.483 68.868 -0.019 0.000 0.864 136 T HN -0.155 8.006 8.240 -0.010 0.073 0.444 137 E N -1.772 118.416 120.200 -0.020 0.000 2.485 137 E HA 0.083 4.433 4.350 0.000 0.000 0.194 137 E C 0.804 177.395 176.600 -0.014 0.000 1.098 137 E CA -0.653 55.734 56.400 -0.023 0.000 0.878 137 E CB -0.498 29.181 29.700 -0.035 0.000 0.939 137 E HN -0.122 8.126 8.360 -0.021 0.100 0.503 138 G N -1.634 107.161 108.800 -0.008 0.000 2.162 138 G HA2 -0.472 3.488 3.960 0.000 0.000 0.260 138 G HA3 -0.472 3.488 3.960 0.000 0.000 0.260 138 G C -0.652 174.249 174.900 0.002 0.000 0.976 138 G CA 0.694 45.793 45.100 -0.002 0.000 0.655 138 G HN -0.101 7.962 8.290 -0.008 0.223 0.533 139 V N 1.013 120.929 119.914 0.003 0.000 2.465 139 V HA 0.100 4.220 4.120 0.000 0.000 0.279 139 V C 0.217 176.323 176.094 0.019 0.000 1.045 139 V CA -0.347 61.959 62.300 0.010 0.000 0.938 139 V CB 0.244 32.072 31.823 0.009 0.000 0.986 139 V HN -0.344 7.800 8.190 -0.001 0.045 0.467 140 T N 9.580 124.149 114.554 0.026 0.000 2.814 140 T HA 0.126 4.476 4.350 0.000 0.000 0.297 140 T C -1.240 173.490 174.700 0.051 0.000 0.956 140 T CA 0.641 62.764 62.100 0.037 0.000 1.123 140 T CB 0.108 69.004 68.868 0.046 0.000 0.902 140 T HN 0.407 8.560 8.240 0.022 0.100 0.528 141 V N 5.801 125.745 119.914 0.051 0.000 2.459 141 V HA 0.557 4.677 4.120 0.000 0.000 0.295 141 V C -0.558 175.576 176.094 0.067 0.000 1.029 141 V CA -1.076 61.261 62.300 0.062 0.000 0.874 141 V CB 1.664 33.518 31.823 0.052 0.000 0.985 141 V HN 0.335 8.550 8.190 0.042 0.000 0.438 142 R N 6.098 126.649 120.500 0.086 0.000 2.778 142 R HA 0.464 4.804 4.340 0.000 0.000 0.277 142 R C -2.113 174.235 176.300 0.080 0.000 0.977 142 R CA -2.678 53.466 56.100 0.073 0.000 0.950 142 R CB 3.199 33.550 30.300 0.085 0.000 1.165 142 R HN 0.473 8.803 8.270 0.101 0.000 0.474 143 R N 0.943 121.474 120.500 0.053 0.000 2.686 143 R HA 0.587 4.927 4.340 0.000 0.000 0.283 143 R C -2.630 173.672 176.300 0.004 0.000 0.978 143 R CA -3.730 52.402 56.100 0.053 0.000 0.897 143 R CB 0.992 31.320 30.300 0.047 0.000 1.192 143 R HN 0.263 8.551 8.270 0.029 0.000 0.457 144 P HA 0.222 4.642 4.420 0.000 0.000 0.273 144 P C -1.003 176.234 177.300 -0.104 0.000 1.250 144 P CA -0.612 62.369 63.100 -0.199 0.000 0.793 144 P CB 0.920 32.310 31.700 -0.516 0.000 1.011 145 D N 0.972 121.304 120.400 -0.113 0.000 2.345 145 D HA 0.164 4.804 4.640 0.000 0.000 0.247 145 D C -1.671 174.606 176.300 -0.037 0.000 1.108 145 D CA -1.417 52.544 54.000 -0.064 0.000 0.894 145 D CB -0.673 40.084 40.800 -0.072 0.000 1.203 145 D HN -0.168 8.105 8.370 -0.162 0.000 0.430 146 P HA 0.054 4.474 4.420 0.000 0.000 0.276 146 P C -1.299 175.951 177.300 -0.084 0.000 1.230 146 P CA -0.015 63.084 63.100 -0.001 0.000 0.776 146 P CB 0.768 32.467 31.700 -0.002 0.000 0.888 147 I N 0.695 121.174 120.570 -0.152 0.000 2.802 147 I HA 0.067 4.237 4.170 0.000 0.000 0.298 147 I C -1.730 174.085 176.117 -0.504 0.000 1.176 147 I CA -1.877 59.163 61.300 -0.433 0.000 1.025 147 I CB 4.891 42.394 38.000 -0.828 0.000 1.243 147 I HN -0.449 7.748 8.210 -0.023 0.000 0.424 148 D N 4.187 124.359 120.400 -0.380 0.000 2.365 148 D HA 0.047 4.687 4.640 0.000 0.000 0.237 148 D C 0.167 176.315 176.300 -0.253 0.000 1.190 148 D CA -0.943 52.967 54.000 -0.150 0.000 0.867 148 D CB -0.267 40.520 40.800 -0.022 0.000 1.050 148 D HN 0.131 8.300 8.370 -0.336 0.000 0.491 149 W N 4.906 126.337 121.300 0.219 0.000 3.077 149 W HA -0.104 4.556 4.660 0.000 0.000 0.245 149 W C 0.219 176.796 176.519 0.096 0.000 1.316 149 W CA 0.819 58.274 57.345 0.184 0.000 1.537 149 W CB -0.400 29.199 29.460 0.231 0.000 1.131 149 W HN 0.171 8.520 8.180 0.282 0.000 0.695 150 S N -1.293 114.488 115.700 0.135 0.000 2.496 150 S HA -0.178 4.292 4.470 0.000 0.000 0.224 150 S C 0.162 174.734 174.600 -0.047 0.000 0.996 150 S CA 1.682 59.838 58.200 -0.072 0.000 0.927 150 S CB -0.030 62.985 63.200 -0.308 0.000 0.774 150 S HN -0.440 8.192 8.310 0.160 -0.226 0.524 151 L N 2.702 123.929 121.223 0.007 0.000 2.559 151 L HA -0.105 4.235 4.340 0.000 0.000 0.274 151 L C -1.648 175.237 176.870 0.025 0.000 1.205 151 L CA 0.127 54.969 54.840 0.002 0.000 0.907 151 L CB 0.899 42.956 42.059 -0.003 0.000 1.153 151 L HN -0.951 7.250 8.230 0.020 0.041 0.490 152 K N 6.670 127.039 120.400 -0.052 0.000 2.234 152 K HA 0.211 4.531 4.320 0.000 0.000 0.282 152 K C -0.881 175.684 176.600 -0.058 0.000 1.039 152 K CA -0.594 55.608 56.287 -0.142 0.000 0.928 152 K CB 0.710 33.124 32.500 -0.143 0.000 1.039 152 K HN -0.188 8.027 8.250 -0.059 0.000 0.470 153 Y N 3.368 123.675 120.300 0.010 0.000 2.630 153 Y HA 0.428 4.978 4.550 0.000 0.000 0.337 153 Y C -2.451 173.420 175.900 -0.048 0.000 1.051 153 Y CA -2.739 55.348 58.100 -0.022 0.000 1.121 153 Y CB 2.932 41.403 38.460 0.017 0.000 1.299 153 Y HN 0.853 8.662 8.280 -0.785 0.000 0.498 154 K N 1.300 121.765 120.400 0.109 0.000 2.601 154 K HA 0.391 4.711 4.320 0.000 0.000 0.249 154 K C -1.297 175.215 176.600 -0.148 0.000 0.966 154 K CA -0.920 55.319 56.287 -0.080 0.000 0.827 154 K CB 2.210 34.664 32.500 -0.077 0.000 1.178 154 K HN 0.035 8.372 8.250 0.146 0.000 0.437 155 T N 2.451 116.758 114.554 -0.412 0.000 2.923 155 T HA 0.558 4.908 4.350 0.000 0.000 0.281 155 T C -0.540 173.986 174.700 -0.289 0.000 0.995 155 T CA -3.256 58.602 62.100 -0.403 0.000 0.985 155 T CB -0.532 67.880 68.868 -0.759 0.000 1.114 155 T HN 0.547 8.381 8.240 -0.676 0.000 0.548 156 P HA 0.006 4.426 4.420 0.000 0.000 0.228 156 P C -0.767 176.489 177.300 -0.074 0.000 1.151 156 P CA 1.472 64.517 63.100 -0.092 0.000 0.770 156 P CB 0.255 31.931 31.700 -0.041 0.000 0.786 157 D N -3.566 116.767 120.400 -0.111 0.000 2.338 157 D HA 0.153 4.793 4.640 0.000 0.000 0.208 157 D C -0.554 175.824 176.300 0.130 0.000 0.997 157 D CA 1.405 55.427 54.000 0.037 0.000 0.880 157 D CB 2.380 43.286 40.800 0.178 0.000 0.980 157 D HN -0.253 7.914 8.370 -0.228 0.067 0.509 158 F N -6.019 113.913 119.950 -0.030 0.000 2.858 158 F HA 0.374 4.901 4.527 0.000 0.000 0.319 158 F C -3.294 172.477 175.800 -0.048 0.000 1.166 158 F CA -1.350 56.627 58.000 -0.038 0.000 0.899 158 F CB 1.256 40.241 39.000 -0.025 0.000 1.332 158 F HN -0.836 7.132 8.300 -0.552 0.000 0.461 159 E N -0.968 119.315 120.200 0.139 0.000 2.317 159 E HA 0.732 5.082 4.350 0.000 0.000 0.270 159 E C -2.083 174.557 176.600 0.067 0.000 0.885 159 E CA -1.486 54.908 56.400 -0.011 0.000 0.760 159 E CB 3.056 32.723 29.700 -0.054 0.000 1.227 159 E HN -0.039 8.488 8.360 0.278 0.000 0.434 160 S N 1.647 117.220 115.700 -0.210 0.000 2.611 160 S HA 0.248 4.718 4.470 0.000 0.000 0.270 160 S C -2.423 171.801 174.600 -0.627 0.000 1.131 160 S CA -0.351 57.668 58.200 -0.302 0.000 0.826 160 S CB 2.557 65.708 63.200 -0.081 0.000 1.095 160 S HN 0.550 8.633 8.310 -0.380 0.000 0.461 161 T N -1.296 113.058 114.554 -0.335 0.000 2.944 161 T HA 0.836 5.186 4.350 0.000 0.000 0.284 161 T C -0.065 174.657 174.700 0.037 0.000 1.010 161 T CA -1.854 60.125 62.100 -0.201 0.000 1.025 161 T CB 1.444 70.225 68.868 -0.145 0.000 1.079 161 T HN 0.005 8.114 8.240 -0.218 0.000 0.516 162 G N -0.303 108.690 108.800 0.321 0.000 2.543 162 G HA2 0.554 4.514 3.960 0.000 0.000 0.290 162 G HA3 0.554 4.514 3.960 0.000 0.000 0.290 162 G C -2.148 172.941 174.900 0.314 0.000 1.310 162 G CA -0.708 44.718 45.100 0.544 0.000 1.025 162 G HN -0.122 8.347 8.290 0.299 0.000 0.502 163 L N -1.907 119.398 121.223 0.137 0.000 2.864 163 L HA 0.527 4.867 4.340 0.000 0.000 0.177 163 L C -1.449 175.182 176.870 -0.399 0.000 1.341 163 L CA -0.375 54.366 54.840 -0.165 0.000 0.892 163 L CB 2.954 44.795 42.059 -0.364 0.000 1.290 163 L HN -0.181 8.132 8.230 0.138 0.000 0.545 164 Y N -8.207 111.566 120.300 -0.878 0.000 2.952 164 Y HA 0.342 4.892 4.550 0.000 0.000 0.346 164 Y C -2.115 173.029 175.900 -1.259 0.000 1.388 164 Y CA -1.917 55.365 58.100 -1.363 0.000 1.097 164 Y CB 0.513 38.721 38.460 -0.420 0.000 1.732 164 Y HN -0.737 7.021 8.280 -0.869 0.000 0.431 165 S N -1.599 113.910 115.700 -0.318 0.000 2.794 165 S HA 0.235 4.705 4.470 0.000 0.000 0.244 165 S C 0.723 175.214 174.600 -0.181 0.000 1.045 165 S CA -1.432 56.715 58.200 -0.087 0.000 1.114 165 S CB 0.499 63.727 63.200 0.048 0.000 1.085 165 S HN 0.352 8.548 8.310 -0.190 0.000 0.488 166 A N 1.365 123.794 122.820 -0.651 0.000 1.970 166 A HA 0.047 4.367 4.320 0.000 0.000 0.216 166 A C -0.833 176.096 177.584 -1.091 0.000 1.170 166 A CA 2.293 53.654 52.037 -1.125 0.000 0.645 166 A CB 0.120 17.968 19.000 -1.921 0.000 0.816 166 A HN -0.022 7.572 8.150 -0.824 0.063 0.447 167 M N -4.407 114.781 119.600 -0.687 0.000 2.268 167 M HA 0.411 4.891 4.480 0.000 0.000 0.340 167 M C -2.055 174.125 176.300 -0.199 0.000 1.099 167 M CA -4.315 50.705 55.300 -0.467 0.000 1.053 167 M CB -1.231 31.136 32.600 -0.389 0.000 1.284 167 M HN -0.337 7.640 8.290 -0.522 0.000 0.410 168 P HA -0.202 4.218 4.420 0.000 0.000 0.218 168 P C 0.870 178.029 177.300 -0.235 0.000 1.148 168 P CA 2.435 65.438 63.100 -0.161 0.000 0.822 168 P CB -0.007 31.680 31.700 -0.022 0.000 0.784 169 R N -3.408 116.971 120.500 -0.201 0.000 2.152 169 R HA -0.285 4.055 4.340 0.000 0.000 0.232 169 R C 0.834 177.003 176.300 -0.219 0.000 1.117 169 R CA 2.547 58.523 56.100 -0.206 0.000 0.981 169 R CB -0.598 29.572 30.300 -0.217 0.000 0.870 169 R HN -0.603 7.534 8.270 -0.184 0.023 0.451 170 D N -2.869 117.372 120.400 -0.264 0.000 2.224 170 D HA -0.060 4.580 4.640 0.000 0.000 0.205 170 D C 1.079 177.276 176.300 -0.172 0.000 0.965 170 D CA 2.987 56.817 54.000 -0.284 0.000 0.852 170 D CB 0.626 41.283 40.800 -0.239 0.000 0.947 170 D HN -0.435 7.645 8.370 -0.250 0.140 0.494 171 I N -3.284 117.169 120.570 -0.195 0.000 4.312 171 I HA 0.207 4.377 4.170 0.000 0.000 0.324 171 I C -2.001 173.992 176.117 -0.206 0.000 1.298 171 I CA 0.141 61.325 61.300 -0.193 0.000 1.231 171 I CB 1.990 39.876 38.000 -0.190 0.000 1.152 171 I HN -0.725 7.208 8.210 -0.237 0.135 0.421 172 L N -1.666 119.415 121.223 -0.237 0.000 2.365 172 L HA 0.590 4.930 4.340 0.000 0.000 0.273 172 L C -1.891 174.909 176.870 -0.116 0.000 1.000 172 L CA -1.003 53.725 54.840 -0.187 0.000 0.819 172 L CB 2.726 44.630 42.059 -0.259 0.000 1.284 172 L HN -0.346 7.727 8.230 -0.261 0.000 0.418 173 I N 1.981 122.506 120.570 -0.075 0.000 2.619 173 I HA 0.397 4.567 4.170 0.000 0.000 0.292 173 I C -2.595 173.478 176.117 -0.074 0.000 1.100 173 I CA -1.582 59.681 61.300 -0.061 0.000 1.043 173 I CB 4.452 42.426 38.000 -0.042 0.000 1.239 173 I HN 0.084 8.255 8.210 -0.065 0.000 0.420 174 V N 7.915 127.774 119.914 -0.091 0.000 2.370 174 V HA 0.543 4.663 4.120 0.000 0.000 0.283 174 V C -1.535 174.467 176.094 -0.154 0.000 1.023 174 V CA -0.916 61.312 62.300 -0.119 0.000 0.857 174 V CB 0.913 32.650 31.823 -0.143 0.000 0.985 174 V HN 0.246 8.386 8.190 -0.084 0.000 0.443 175 V N 6.580 126.386 119.914 -0.179 0.000 2.325 175 V HA 0.565 4.685 4.120 0.000 0.000 0.280 175 V C 0.454 176.407 176.094 -0.235 0.000 1.016 175 V CA -1.718 60.420 62.300 -0.271 0.000 0.818 175 V CB -0.177 31.401 31.823 -0.409 0.000 1.019 175 V HN 0.453 8.560 8.190 -0.138 0.000 0.434 176 G N 8.300 116.899 108.800 -0.334 0.000 2.543 176 G HA2 -0.464 3.496 3.960 0.000 0.000 0.286 176 G HA3 -0.464 3.496 3.960 0.000 0.000 0.286 176 G C -0.687 174.030 174.900 -0.306 0.000 1.153 176 G CA 1.492 46.352 45.100 -0.401 0.000 0.968 176 G HN 0.403 8.441 8.290 -0.420 0.000 0.544 177 N N 5.082 123.718 118.700 -0.108 0.000 2.251 177 N HA 0.079 4.819 4.740 0.000 0.000 0.217 177 N C -1.753 173.742 175.510 -0.025 0.000 1.124 177 N CA -0.381 52.622 53.050 -0.077 0.000 0.843 177 N CB 0.624 39.103 38.487 -0.014 0.000 1.024 177 N HN 0.211 8.586 8.380 -0.009 0.000 0.501 178 E N 0.251 120.438 120.200 -0.021 0.000 2.158 178 E HA 0.540 4.890 4.350 0.000 0.000 0.271 178 E C -2.493 174.118 176.600 0.019 0.000 0.911 178 E CA -1.470 54.957 56.400 0.046 0.000 0.767 178 E CB 3.074 32.825 29.700 0.085 0.000 1.120 178 E HN -0.567 7.665 8.360 -0.065 0.088 0.405 179 I N 6.818 127.430 120.570 0.071 0.000 2.336 179 I HA 0.645 4.815 4.170 0.000 0.000 0.292 179 I C -2.292 173.892 176.117 0.111 0.000 0.991 179 I CA -1.099 60.227 61.300 0.044 0.000 1.227 179 I CB 2.458 40.471 38.000 0.023 0.000 1.366 179 I HN 0.598 8.888 8.210 0.133 0.000 0.466 180 I N 9.204 129.805 120.570 0.052 0.000 2.406 180 I HA 0.413 4.583 4.170 0.000 0.000 0.290 180 I C -1.657 174.461 176.117 0.002 0.000 0.999 180 I CA -1.101 60.231 61.300 0.053 0.000 1.124 180 I CB 2.136 40.156 38.000 0.033 0.000 1.289 180 I HN 0.776 8.988 8.210 0.004 0.000 0.441 181 E N 6.848 127.039 120.200 -0.014 0.000 2.115 181 E HA 0.400 4.750 4.350 0.000 0.000 0.282 181 E C -0.992 175.466 176.600 -0.236 0.000 0.987 181 E CA -1.534 54.810 56.400 -0.093 0.000 0.797 181 E CB 1.207 30.878 29.700 -0.049 0.000 1.086 181 E HN 0.545 8.916 8.360 0.018 0.000 0.397 182 A N 6.249 128.907 122.820 -0.271 0.000 2.425 182 A HA 0.092 4.412 4.320 0.000 0.000 0.242 182 A C -1.847 175.357 177.584 -0.633 0.000 1.077 182 A CA -1.412 50.275 52.037 -0.584 0.000 0.781 182 A CB -0.898 17.880 19.000 -0.369 0.000 1.020 182 A HN 0.698 8.626 8.150 -0.183 0.111 0.494 183 P HA -0.012 4.408 4.420 0.000 0.000 0.224 183 P C -0.814 176.237 177.300 -0.415 0.000 1.157 183 P CA 0.784 63.507 63.100 -0.628 0.000 0.799 183 P CB 0.464 31.764 31.700 -0.667 0.000 0.809 184 M N -4.601 114.783 119.600 -0.360 0.000 7.319 184 M HA -0.441 4.039 4.480 0.000 0.000 0.156 184 M C -0.728 175.537 176.300 -0.059 0.000 0.480 184 M CA 0.890 56.094 55.300 -0.160 0.000 1.311 184 M CB -1.747 30.797 32.600 -0.094 0.000 0.421 184 M HN -0.012 7.971 8.290 -0.513 0.000 0.199 185 A N -2.359 120.510 122.820 0.081 0.000 2.606 185 A HA 0.216 4.536 4.320 0.000 0.000 0.230 185 A C -1.731 176.112 177.584 0.432 0.000 1.279 185 A CA -0.114 52.050 52.037 0.211 0.000 1.010 185 A CB 1.387 20.510 19.000 0.205 0.000 1.271 185 A HN 0.284 8.477 8.150 0.072 0.000 0.584 186 W N -2.540 118.791 121.300 0.051 0.000 2.417 186 W HA 0.163 4.823 4.660 0.000 0.000 0.317 186 W C 1.396 177.911 176.519 -0.006 0.000 1.121 186 W CA -2.430 54.915 57.345 -0.001 0.000 1.208 186 W CB 0.289 29.738 29.460 -0.018 0.000 1.253 186 W HN -0.744 7.656 8.180 0.367 0.000 0.533 187 R N 5.093 125.582 120.500 -0.018 0.000 2.120 187 R HA -0.367 3.973 4.340 0.000 0.000 0.234 187 R C 1.978 178.401 176.300 0.204 0.000 1.123 187 R CA 3.897 59.866 56.100 -0.218 0.000 0.975 187 R CB -0.177 29.704 30.300 -0.698 0.000 0.866 187 R HN 0.470 8.945 8.270 -0.190 -0.320 0.446 188 S N -2.074 113.746 115.700 0.201 0.000 2.603 188 S HA -0.163 4.307 4.470 0.000 0.000 0.229 188 S C 0.289 175.134 174.600 0.410 0.000 0.972 188 S CA 2.389 60.775 58.200 0.310 0.000 0.935 188 S CB -0.478 62.831 63.200 0.181 0.000 0.769 188 S HN 0.155 8.505 8.310 0.094 0.017 0.536 189 R N -1.294 119.441 120.500 0.391 0.000 2.543 189 R HA 0.187 4.527 4.340 0.000 0.000 0.323 189 R C 1.372 177.828 176.300 0.261 0.000 1.002 189 R CA -0.822 55.439 56.100 0.269 0.000 1.106 189 R CB -0.012 30.372 30.300 0.140 0.000 1.280 189 R HN -0.380 7.926 8.270 0.395 0.201 0.549 190 F N 3.013 123.078 119.950 0.190 0.000 2.126 190 F HA -0.349 4.178 4.527 0.000 0.000 0.299 190 F C -0.278 175.385 175.800 -0.227 0.000 1.096 190 F CA 4.391 62.382 58.000 -0.016 0.000 1.255 190 F CB 0.541 39.553 39.000 0.020 0.000 0.997 190 F HN -0.720 7.882 8.300 0.606 0.061 0.479 191 F N -4.747 115.300 119.950 0.161 0.000 2.730 191 F HA 0.137 4.664 4.527 0.000 0.000 0.295 191 F C 0.730 176.437 175.800 -0.154 0.000 1.143 191 F CA -1.334 56.530 58.000 -0.227 0.000 1.367 191 F CB -0.765 38.013 39.000 -0.369 0.000 0.970 191 F HN -0.517 7.966 8.300 0.305 0.000 0.514 192 E N 2.228 122.546 120.200 0.196 0.000 2.204 192 E HA -0.324 4.026 4.350 0.000 0.000 0.194 192 E C 1.479 178.288 176.600 0.348 0.000 0.989 192 E CA 3.118 59.703 56.400 0.308 0.000 0.824 192 E CB -0.103 29.686 29.700 0.148 0.000 0.756 192 E HN -0.502 7.793 8.360 0.164 0.164 0.477 193 Y N -4.042 116.436 120.300 0.297 0.000 2.384 193 Y HA -0.280 4.270 4.550 0.000 0.000 0.289 193 Y C 1.805 177.898 175.900 0.322 0.000 1.152 193 Y CA 1.194 59.473 58.100 0.298 0.000 1.258 193 Y CB -1.088 37.456 38.460 0.139 0.000 0.979 193 Y HN -0.110 8.276 8.280 0.218 0.025 0.549 194 R N -0.631 119.792 120.500 -0.129 0.000 2.159 194 R HA -0.430 3.910 4.340 0.000 0.000 0.237 194 R C 1.257 177.594 176.300 0.061 0.000 1.131 194 R CA 2.797 58.883 56.100 -0.024 0.000 0.982 194 R CB -0.653 29.534 30.300 -0.189 0.000 0.868 194 R HN -0.615 7.302 8.270 -0.526 0.038 0.453 195 A N -3.340 119.542 122.820 0.104 0.000 2.066 195 A HA -0.067 4.253 4.320 0.000 0.000 0.218 195 A C 1.196 178.640 177.584 -0.233 0.000 1.157 195 A CA 2.175 54.169 52.037 -0.072 0.000 0.670 195 A CB 0.162 19.136 19.000 -0.043 0.000 0.804 195 A HN -0.581 7.683 8.150 0.240 0.030 0.453 196 Y N -4.185 116.183 120.300 0.114 0.000 2.449 196 Y HA 0.113 4.663 4.550 0.000 0.000 0.254 196 Y C 1.688 177.582 175.900 -0.010 0.000 1.140 196 Y CA 1.322 59.452 58.100 0.050 0.000 1.272 196 Y CB -0.060 38.434 38.460 0.056 0.000 1.114 196 Y HN -0.495 7.827 8.280 0.310 0.144 0.525 197 R N 0.355 120.946 120.500 0.152 0.000 2.105 197 R HA -0.355 3.985 4.340 0.000 0.000 0.239 197 R C 1.885 178.159 176.300 -0.044 0.000 1.135 197 R CA 2.975 59.112 56.100 0.061 0.000 0.967 197 R CB -1.146 29.254 30.300 0.168 0.000 0.861 197 R HN -0.574 7.807 8.270 0.185 0.000 0.442 198 S N -0.043 115.641 115.700 -0.027 0.000 2.368 198 S HA -0.237 4.233 4.470 0.000 0.000 0.225 198 S C 2.196 176.719 174.600 -0.130 0.000 1.030 198 S CA 3.765 61.933 58.200 -0.053 0.000 0.999 198 S CB -0.798 62.376 63.200 -0.045 0.000 0.844 198 S HN 0.239 8.546 8.310 -0.005 0.000 0.459 199 I N 1.918 122.391 120.570 -0.161 0.000 2.202 199 I HA -0.408 3.762 4.170 0.000 0.000 0.242 199 I C 1.642 177.461 176.117 -0.498 0.000 1.091 199 I CA 3.505 64.606 61.300 -0.332 0.000 1.368 199 I CB -0.010 37.866 38.000 -0.208 0.000 1.058 199 I HN -0.918 7.237 8.210 -0.092 0.000 0.410 200 I N -0.217 120.147 120.570 -0.343 0.000 2.226 200 I HA -0.646 3.524 4.170 0.000 0.000 0.245 200 I C 1.849 177.649 176.117 -0.528 0.000 1.100 200 I CA 4.571 65.595 61.300 -0.461 0.000 1.374 200 I CB -0.447 37.127 38.000 -0.710 0.000 1.057 200 I HN -0.097 7.980 8.210 -0.221 0.000 0.413 201 K N -1.050 119.086 120.400 -0.440 0.000 2.147 201 K HA -0.404 3.916 4.320 0.000 0.000 0.205 201 K C 2.151 178.794 176.600 0.071 0.000 1.049 201 K CA 3.863 60.028 56.287 -0.205 0.000 0.936 201 K CB -0.531 31.958 32.500 -0.019 0.000 0.722 201 K HN 0.156 8.185 8.250 -0.367 0.000 0.446 202 D N -0.187 120.214 120.400 0.002 0.000 2.117 202 D HA -0.235 4.405 4.640 0.000 0.000 0.198 202 D C 2.335 178.703 176.300 0.113 0.000 0.982 202 D CA 3.216 57.252 54.000 0.060 0.000 0.828 202 D CB -0.111 40.602 40.800 -0.146 0.000 0.967 202 D HN -0.667 7.602 8.370 -0.145 0.014 0.464 203 Y N -1.606 118.710 120.300 0.027 0.000 2.181 203 Y HA -0.332 4.218 4.550 0.000 0.000 0.288 203 Y C 2.230 178.157 175.900 0.044 0.000 1.146 203 Y CA 1.626 59.734 58.100 0.013 0.000 1.164 203 Y CB -0.596 37.844 38.460 -0.032 0.000 0.982 203 Y HN -0.522 7.617 8.280 -0.234 0.000 0.515 204 F N 1.226 121.215 119.950 0.065 0.000 2.069 204 F HA -0.470 4.057 4.527 0.000 0.000 0.298 204 F C 2.421 178.249 175.800 0.045 0.000 1.113 204 F CA 3.793 61.822 58.000 0.048 0.000 1.214 204 F CB 0.045 39.069 39.000 0.041 0.000 0.978 204 F HN 0.306 8.733 8.300 0.212 0.000 0.474 205 H N -1.200 117.926 119.070 0.092 0.000 2.426 205 H HA -0.232 4.324 4.556 0.000 0.000 0.298 205 H C 1.746 177.037 175.328 -0.062 0.000 1.107 205 H CA 3.415 59.458 56.048 -0.009 0.000 1.298 205 H CB -0.169 29.633 29.762 0.067 0.000 1.377 205 H HN 0.190 8.444 8.280 0.138 0.109 0.519 206 R N -3.689 116.876 120.500 0.109 0.000 2.320 206 R HA -0.016 4.324 4.340 0.000 0.000 0.211 206 R C 0.124 176.424 176.300 0.001 0.000 0.931 206 R CA -0.125 56.014 56.100 0.066 0.000 1.071 206 R CB 0.311 30.682 30.300 0.119 0.000 1.025 206 R HN -0.377 7.850 8.270 0.160 0.139 0.495 207 G N -2.157 106.593 108.800 -0.082 0.000 2.184 207 G HA2 -0.292 3.668 3.960 0.000 0.000 0.206 207 G HA3 -0.292 3.668 3.960 0.000 0.000 0.206 207 G C -0.752 174.111 174.900 -0.062 0.000 0.995 207 G CA -0.410 44.629 45.100 -0.103 0.000 0.651 207 G HN -0.051 7.950 8.290 -0.148 0.201 0.511 208 A N 0.737 123.555 122.820 -0.002 0.000 2.351 208 A HA 0.066 4.386 4.320 0.000 0.000 0.257 208 A C -0.536 177.158 177.584 0.184 0.000 1.087 208 A CA -0.073 52.002 52.037 0.063 0.000 0.798 208 A CB 1.160 20.200 19.000 0.067 0.000 1.033 208 A HN -0.211 7.951 8.150 0.019 0.000 0.488 209 K N 0.447 120.963 120.400 0.193 0.000 2.185 209 K HA 0.115 4.435 4.320 0.000 0.000 0.271 209 K C -1.359 175.484 176.600 0.405 0.000 1.013 209 K CA -0.278 56.185 56.287 0.294 0.000 0.943 209 K CB 1.425 34.044 32.500 0.198 0.000 0.998 209 K HN 0.221 8.542 8.250 0.118 0.000 0.468 210 W N 1.588 123.008 121.300 0.199 0.000 2.715 210 W HA 0.426 5.086 4.660 0.000 0.000 0.331 210 W C -1.446 175.088 176.519 0.025 0.000 1.031 210 W CA -1.874 55.526 57.345 0.092 0.000 1.237 210 W CB 1.692 31.177 29.460 0.041 0.000 1.378 210 W HN -0.030 8.446 8.180 0.494 0.000 0.454 211 T N 9.128 123.864 114.554 0.303 0.000 2.886 211 T HA 0.427 4.777 4.350 0.000 0.000 0.292 211 T C -1.696 172.999 174.700 -0.008 0.000 1.012 211 T CA -0.257 61.874 62.100 0.051 0.000 0.982 211 T CB 3.321 72.243 68.868 0.089 0.000 1.018 211 T HN 0.454 8.973 8.240 0.465 0.000 0.451 212 T N 0.911 115.357 114.554 -0.181 0.000 2.815 212 T HA 0.606 4.956 4.350 0.000 0.000 0.289 212 T C -0.328 174.150 174.700 -0.371 0.000 1.000 212 T CA -2.525 59.423 62.100 -0.254 0.000 0.958 212 T CB 0.801 69.470 68.868 -0.331 0.000 0.944 212 T HN 0.233 8.338 8.240 -0.225 0.000 0.442 213 A N 6.947 129.438 122.820 -0.548 0.000 2.448 213 A HA 0.225 4.545 4.320 0.000 0.000 0.239 213 A C -1.890 175.207 177.584 -0.812 0.000 1.080 213 A CA -1.256 50.140 52.037 -1.067 0.000 0.779 213 A CB -0.512 17.774 19.000 -1.191 0.000 1.026 213 A HN 0.120 7.997 8.150 -0.455 0.000 0.499 214 P HA -0.064 4.356 4.420 0.000 0.000 0.261 214 P C -1.499 175.529 177.300 -0.453 0.000 1.203 214 P CA 0.107 62.903 63.100 -0.508 0.000 0.767 214 P CB 0.459 31.907 31.700 -0.421 0.000 0.785 215 K N 5.985 126.154 120.400 -0.384 0.000 2.379 215 K HA 0.151 4.471 4.320 0.000 0.000 0.284 215 K C -1.690 174.792 176.600 -0.198 0.000 1.044 215 K CA -1.408 54.653 56.287 -0.376 0.000 0.974 215 K CB -0.179 32.059 32.500 -0.437 0.000 0.962 215 K HN 0.135 8.171 8.250 -0.356 0.000 0.474 216 P HA 0.155 4.574 4.420 0.000 0.000 0.274 216 P C -1.190 176.242 177.300 0.220 0.000 1.246 216 P CA -0.817 62.291 63.100 0.014 0.000 0.795 216 P CB 1.112 32.819 31.700 0.012 0.000 1.006 217 T N -3.784 110.907 114.554 0.229 0.000 2.985 217 T HA -0.045 4.305 4.350 0.000 0.000 0.266 217 T C 0.762 175.712 174.700 0.416 0.000 1.076 217 T CA 0.573 62.861 62.100 0.312 0.000 1.135 217 T CB 0.257 69.288 68.868 0.272 0.000 0.890 217 T HN 0.107 8.928 8.240 0.163 -0.484 0.480 218 M N -1.802 117.988 119.600 0.317 0.000 2.461 218 M HA -0.503 3.977 4.480 0.000 0.000 0.203 218 M C -1.007 175.448 176.300 0.258 0.000 0.428 218 M CA 0.681 56.120 55.300 0.231 0.000 0.509 218 M CB -2.042 30.688 32.600 0.218 0.000 1.851 218 M HN -0.316 8.371 8.290 0.257 -0.243 0.834 219 A N -1.715 121.234 122.820 0.215 0.000 2.327 219 A HA -0.016 4.304 4.320 0.000 0.000 0.255 219 A C 0.836 178.434 177.584 0.023 0.000 1.099 219 A CA -0.333 51.788 52.037 0.139 0.000 0.801 219 A CB 0.737 19.784 19.000 0.078 0.000 1.062 219 A HN -0.789 7.492 8.150 0.254 0.021 0.496 220 D N 0.567 120.976 120.400 0.015 0.000 2.203 220 D HA -0.410 4.230 4.640 0.000 0.000 0.199 220 D C 2.072 178.289 176.300 -0.138 0.000 0.997 220 D CA 3.923 57.932 54.000 0.016 0.000 0.863 220 D CB -0.396 40.393 40.800 -0.018 0.000 0.928 220 D HN 0.678 9.064 8.370 0.027 0.000 0.458 221 E N -2.067 117.889 120.200 -0.407 0.000 2.333 221 E HA -0.235 4.115 4.350 0.000 0.000 0.198 221 E C 1.108 177.367 176.600 -0.568 0.000 1.007 221 E CA 1.984 57.989 56.400 -0.658 0.000 0.845 221 E CB -0.724 28.145 29.700 -1.384 0.000 0.766 221 E HN 0.281 8.364 8.360 -0.424 0.022 0.507 222 L N -2.683 118.237 121.223 -0.505 0.000 2.395 222 L HA -0.112 4.228 4.340 0.000 0.000 0.218 222 L C -1.232 175.254 176.870 -0.640 0.000 1.130 222 L CA 0.493 55.051 54.840 -0.470 0.000 0.826 222 L CB 0.938 42.626 42.059 -0.620 0.000 0.941 222 L HN -0.240 7.544 8.230 -0.471 0.164 0.451 223 Y N -4.022 116.229 120.300 -0.082 0.000 2.446 223 Y HA 0.306 4.856 4.550 0.000 0.000 0.338 223 Y C -0.606 175.245 175.900 -0.081 0.000 1.055 223 Y CA -1.844 56.200 58.100 -0.093 0.000 1.101 223 Y CB 1.736 40.117 38.460 -0.132 0.000 1.221 223 Y HN -0.394 7.553 8.280 -0.294 0.157 0.460 224 N N 2.991 121.743 118.700 0.086 0.000 2.555 224 N HA -0.009 4.731 4.740 0.000 0.000 0.244 224 N C 0.436 175.989 175.510 0.072 0.000 1.114 224 N CA -0.150 52.943 53.050 0.071 0.000 0.963 224 N CB 0.080 38.626 38.487 0.099 0.000 1.276 224 N HN 0.453 8.775 8.380 0.075 0.103 0.510 225 Q N 2.637 122.463 119.800 0.043 0.000 2.439 225 Q HA -0.239 4.101 4.340 0.000 0.000 0.211 225 Q C -0.503 175.505 176.000 0.015 0.000 0.978 225 Q CA 2.193 57.999 55.803 0.005 0.000 0.897 225 Q CB -0.109 28.620 28.738 -0.015 0.000 0.956 225 Q HN -0.100 8.192 8.270 0.037 0.000 0.483 226 D N -4.752 115.679 120.400 0.051 0.000 2.559 226 D HA -0.057 4.583 4.640 0.000 0.000 0.234 226 D C -0.303 176.044 176.300 0.078 0.000 1.226 226 D CA -1.563 52.468 54.000 0.052 0.000 0.830 226 D CB -0.794 40.030 40.800 0.040 0.000 1.028 226 D HN -0.353 7.985 8.370 0.063 0.070 0.492 227 Y N 2.578 122.845 120.300 -0.055 0.000 2.511 227 Y HA -0.062 4.488 4.550 0.000 0.000 0.332 227 Y C -0.128 175.683 175.900 -0.148 0.000 1.177 227 Y CA -1.603 56.451 58.100 -0.077 0.000 1.422 227 Y CB 1.551 39.971 38.460 -0.066 0.000 1.271 227 Y HN -0.586 7.734 8.280 0.188 0.072 0.550 228 P HA 0.140 4.560 4.420 0.000 0.000 0.237 228 P C -0.964 175.835 177.300 -0.835 0.000 1.723 228 P CA -0.337 62.292 63.100 -0.785 0.000 0.882 228 P CB -1.932 29.428 31.700 -0.566 0.000 1.810 229 I N -4.529 115.778 120.570 -0.439 0.000 2.248 229 I HA -0.380 3.790 4.170 0.000 0.000 0.248 229 I C 1.455 177.655 176.117 0.140 0.000 1.107 229 I CA 2.699 63.966 61.300 -0.055 0.000 1.373 229 I CB -0.582 37.457 38.000 0.064 0.000 1.055 229 I HN -0.342 7.583 8.210 -0.290 0.111 0.418 230 H N -1.099 118.138 119.070 0.279 0.000 2.601 230 H HA -0.131 4.425 4.556 0.000 0.000 0.293 230 H C -0.553 174.853 175.328 0.131 0.000 1.109 230 H CA -1.859 54.394 56.048 0.341 0.000 1.227 230 H CB -2.216 27.669 29.762 0.205 0.000 1.319 230 H HN 0.016 8.068 8.280 -0.331 0.030 0.635 231 S N -3.525 112.277 115.700 0.170 0.000 3.089 231 S HA -0.442 4.028 4.470 0.000 0.000 0.857 231 S C -0.832 173.852 174.600 0.140 0.000 1.012 231 S CA 0.112 58.362 58.200 0.084 0.000 1.286 231 S CB 0.533 63.746 63.200 0.021 0.000 0.913 231 S HN 0.090 8.312 8.310 0.124 0.163 0.247 232 V N 3.918 123.864 119.914 0.052 0.000 3.558 232 V HA -0.020 4.100 4.120 0.000 0.000 0.269 232 V C -0.356 175.755 176.094 0.029 0.000 1.841 232 V CA 1.283 63.614 62.300 0.053 0.000 1.083 232 V CB 0.041 31.881 31.823 0.030 0.000 0.967 232 V HN 0.558 8.764 8.190 0.026 0.000 0.324 233 E N -2.899 117.312 120.200 0.018 0.000 3.812 233 E HA -0.380 3.970 4.350 0.000 0.000 0.321 233 E C 0.268 176.937 176.600 0.114 0.000 0.674 233 E CA 2.058 58.508 56.400 0.083 0.000 1.113 233 E CB -2.210 27.580 29.700 0.150 0.000 1.602 233 E HN 0.535 8.888 8.360 -0.011 0.000 0.440 234 D N -2.757 117.662 120.400 0.031 0.000 2.392 234 D HA -0.211 4.429 4.640 0.000 0.000 0.228 234 D C 1.033 177.321 176.300 -0.021 0.000 1.003 234 D CA 1.714 55.728 54.000 0.024 0.000 0.917 234 D CB -1.028 39.766 40.800 -0.010 0.000 0.890 234 D HN -0.261 7.984 8.370 0.002 0.126 0.532 235 R N -0.809 119.643 120.500 -0.080 0.000 2.159 235 R HA -0.359 3.981 4.340 0.000 0.000 0.237 235 R C 2.034 178.275 176.300 -0.097 0.000 1.131 235 R CA 3.002 59.007 56.100 -0.158 0.000 0.982 235 R CB -1.031 29.184 30.300 -0.141 0.000 0.868 235 R HN -0.043 8.055 8.270 -0.067 0.131 0.453 236 H N 0.061 119.099 119.070 -0.053 0.000 2.352 236 H HA -0.213 4.343 4.556 0.000 0.000 0.299 236 H C 1.802 177.109 175.328 -0.035 0.000 1.097 236 H CA 4.251 60.290 56.048 -0.015 0.000 1.311 236 H CB 0.145 29.915 29.762 0.014 0.000 1.377 236 H HN 0.408 8.599 8.280 0.130 0.167 0.504 237 K N 0.014 120.467 120.400 0.088 0.000 2.057 237 K HA -0.241 4.079 4.320 0.000 0.000 0.206 237 K C 2.262 178.850 176.600 -0.020 0.000 1.050 237 K CA 2.903 59.206 56.287 0.027 0.000 0.935 237 K CB -0.446 32.059 32.500 0.008 0.000 0.715 237 K HN -0.161 8.007 8.250 0.092 0.137 0.439 238 L N -0.602 120.578 121.223 -0.071 0.000 2.046 238 L HA -0.326 4.014 4.340 0.000 0.000 0.208 238 L C 2.384 179.104 176.870 -0.250 0.000 1.077 238 L CA 2.857 57.624 54.840 -0.122 0.000 0.747 238 L CB -0.450 41.535 42.059 -0.123 0.000 0.896 238 L HN -0.304 7.884 8.230 -0.069 0.000 0.432 239 A N -1.109 121.509 122.820 -0.337 0.000 1.940 239 A HA -0.293 4.027 4.320 0.000 0.000 0.219 239 A C 2.224 179.785 177.584 -0.037 0.000 1.176 239 A CA 2.995 54.770 52.037 -0.436 0.000 0.631 239 A CB -1.202 17.676 19.000 -0.203 0.000 0.814 239 A HN 0.750 8.562 8.150 -0.233 0.197 0.446 240 A N -1.606 121.227 122.820 0.022 0.000 1.969 240 A HA -0.194 4.126 4.320 0.000 0.000 0.218 240 A C 1.303 178.926 177.584 0.064 0.000 1.169 240 A CA 2.408 54.486 52.037 0.067 0.000 0.635 240 A CB -0.424 18.602 19.000 0.043 0.000 0.810 240 A HN 0.425 8.334 8.150 -0.001 0.241 0.445 241 Q N -4.250 115.575 119.800 0.041 0.000 2.392 241 Q HA 0.044 4.384 4.340 0.000 0.000 0.203 241 Q C 0.133 176.229 176.000 0.160 0.000 0.917 241 Q CA -0.626 55.219 55.803 0.070 0.000 0.939 241 Q CB 0.779 29.541 28.738 0.039 0.000 1.063 241 Q HN -0.504 7.608 8.270 -0.005 0.156 0.516 242 G N -1.417 107.513 108.800 0.216 0.000 2.149 242 G HA2 -0.348 3.612 3.960 0.000 0.000 0.235 242 G HA3 -0.348 3.612 3.960 0.000 0.000 0.235 242 G C -1.070 174.117 174.900 0.478 0.000 1.018 242 G CA 0.198 45.618 45.100 0.534 0.000 0.728 242 G HN -0.329 7.822 8.290 0.110 0.205 0.508 243 K N 0.859 121.275 120.400 0.026 0.000 2.316 243 K HA 0.256 4.576 4.320 0.000 0.000 0.267 243 K C -1.351 175.097 176.600 -0.255 0.000 1.025 243 K CA -1.217 55.087 56.287 0.029 0.000 0.896 243 K CB 0.803 33.325 32.500 0.037 0.000 1.124 243 K HN 0.212 8.223 8.250 -0.160 0.142 0.451 244 F N 0.231 120.227 119.950 0.078 0.000 2.835 244 F HA 0.378 4.905 4.527 0.000 0.000 0.373 244 F C 0.207 175.757 175.800 -0.416 0.000 1.209 244 F CA -1.462 56.490 58.000 -0.081 0.000 1.082 244 F CB 1.411 40.351 39.000 -0.101 0.000 1.472 244 F HN -0.517 8.053 8.300 0.449 0.000 0.519 245 V N -0.817 118.739 119.914 -0.596 0.000 2.626 245 V HA -0.163 3.957 4.120 0.000 0.000 0.252 245 V C -0.681 175.339 176.094 -0.123 0.000 1.067 245 V CA 1.732 63.660 62.300 -0.619 0.000 1.081 245 V CB 0.374 31.853 31.823 -0.575 0.000 0.686 245 V HN 0.492 8.842 8.190 -0.430 -0.417 0.468 246 T N -3.986 110.551 114.554 -0.027 0.000 2.799 246 T HA 0.441 4.791 4.350 0.000 0.000 0.286 246 T C 0.034 174.744 174.700 0.016 0.000 0.973 246 T CA -2.385 59.707 62.100 -0.014 0.000 1.035 246 T CB 1.069 69.927 68.868 -0.015 0.000 0.932 246 T HN -0.325 7.885 8.240 -0.011 0.024 0.469 247 T N 1.557 116.110 114.554 -0.002 0.000 2.833 247 T HA 0.221 4.571 4.350 0.000 0.000 0.292 247 T C 0.540 175.296 174.700 0.093 0.000 1.031 247 T CA -1.501 60.637 62.100 0.063 0.000 0.937 247 T CB 0.733 69.635 68.868 0.056 0.000 1.256 247 T HN 0.758 8.836 8.240 -0.074 0.117 0.551 248 E N -1.165 119.116 120.200 0.135 0.000 2.496 248 E HA 0.241 4.591 4.350 0.000 0.000 0.202 248 E C -0.972 175.717 176.600 0.148 0.000 1.021 248 E CA -0.853 55.630 56.400 0.139 0.000 1.015 248 E CB -0.819 28.975 29.700 0.155 0.000 1.102 248 E HN 0.412 8.856 8.360 0.139 0.000 0.452 249 F N 1.565 121.510 119.950 -0.008 0.000 2.134 249 F HA -0.309 4.218 4.527 0.000 0.000 0.299 249 F C -0.695 175.101 175.800 -0.007 0.000 1.097 249 F CA 2.406 60.397 58.000 -0.016 0.000 1.264 249 F CB 1.146 40.114 39.000 -0.054 0.000 1.001 249 F HN -0.503 7.853 8.300 0.253 0.096 0.479 250 E N -4.423 115.690 120.200 -0.144 0.000 2.407 250 E HA 0.193 4.543 4.350 0.000 0.000 0.279 250 E C -2.789 173.775 176.600 -0.061 0.000 1.012 250 E CA -3.353 52.906 56.400 -0.235 0.000 0.800 250 E CB 1.220 30.705 29.700 -0.357 0.000 1.276 250 E HN -0.684 7.709 8.360 0.055 0.000 0.452 251 P HA 0.120 4.540 4.420 0.000 0.000 0.268 251 P C -1.266 176.025 177.300 -0.014 0.000 1.204 251 P CA -0.194 62.920 63.100 0.023 0.000 0.768 251 P CB 0.127 31.838 31.700 0.018 0.000 0.842 252 C N 1.700 121.043 119.300 0.071 0.000 3.171 252 C HA 0.679 5.139 4.460 0.000 0.000 0.336 252 C C -2.377 172.740 174.990 0.212 0.000 1.198 252 C CA -1.959 57.068 59.018 0.016 0.000 1.319 252 C CB 3.352 31.089 27.740 -0.005 0.000 1.682 252 C HN 0.023 8.572 8.230 0.147 -0.230 0.497 253 F N -3.319 116.632 119.950 0.001 0.000 2.765 253 F HA 0.395 4.922 4.527 0.000 0.000 0.313 253 F C -3.390 172.447 175.800 0.062 0.000 1.136 253 F CA -0.627 57.415 58.000 0.070 0.000 0.952 253 F CB 1.314 40.445 39.000 0.219 0.000 1.268 253 F HN -0.257 7.919 8.300 -0.207 0.000 0.441 254 D N 1.205 121.835 120.400 0.383 0.000 2.185 254 D HA 0.449 5.089 4.640 0.000 0.000 0.247 254 D C 0.605 177.180 176.300 0.459 0.000 1.027 254 D CA -1.625 52.517 54.000 0.237 0.000 0.861 254 D CB 2.083 43.008 40.800 0.209 0.000 1.202 254 D HN -0.143 8.470 8.370 0.405 0.000 0.453 255 A N 3.906 126.906 122.820 0.299 0.000 2.067 255 A HA -0.131 4.189 4.320 0.000 0.000 0.219 255 A C 1.035 178.810 177.584 0.318 0.000 1.158 255 A CA 3.108 55.363 52.037 0.363 0.000 0.661 255 A CB -0.047 19.033 19.000 0.132 0.000 0.801 255 A HN 0.645 8.774 8.150 0.106 0.085 0.452 256 A N -3.216 119.651 122.820 0.080 0.000 2.248 256 A HA -0.168 4.152 4.320 0.000 0.000 0.210 256 A C 0.725 178.402 177.584 0.155 0.000 1.174 256 A CA 1.968 54.004 52.037 -0.002 0.000 0.750 256 A CB -0.650 18.070 19.000 -0.467 0.000 0.780 256 A HN -0.090 8.004 8.150 -0.040 0.032 0.478 257 D N -2.419 118.109 120.400 0.213 0.000 2.340 257 D HA 0.143 4.783 4.640 0.000 0.000 0.220 257 D C -1.272 174.911 176.300 -0.196 0.000 1.039 257 D CA 1.242 55.254 54.000 0.019 0.000 0.866 257 D CB 0.487 41.229 40.800 -0.097 0.000 0.913 257 D HN -0.535 7.948 8.370 0.320 0.079 0.523 258 F N -2.304 117.722 119.950 0.127 0.000 2.495 258 F HA 0.521 5.048 4.527 0.000 0.000 0.327 258 F C -0.750 175.175 175.800 0.208 0.000 1.103 258 F CA -1.010 57.075 58.000 0.141 0.000 0.949 258 F CB 3.044 42.078 39.000 0.056 0.000 1.142 258 F HN -0.546 7.819 8.300 0.416 0.184 0.457 259 I N 2.783 123.620 120.570 0.445 0.000 2.582 259 I HA 0.363 4.533 4.170 0.000 0.000 0.292 259 I C -2.379 174.028 176.117 0.484 0.000 1.066 259 I CA -1.638 59.926 61.300 0.439 0.000 1.053 259 I CB 4.415 42.675 38.000 0.433 0.000 1.241 259 I HN 0.894 9.383 8.210 0.465 0.000 0.421 260 R N 7.576 128.308 120.500 0.387 0.000 2.368 260 R HA 0.659 4.998 4.340 0.000 0.000 0.302 260 R C -1.618 174.929 176.300 0.412 0.000 1.002 260 R CA -1.334 54.976 56.100 0.351 0.000 0.929 260 R CB 1.486 31.900 30.300 0.190 0.000 1.073 260 R HN 0.449 9.261 8.270 0.334 -0.342 0.464 261 A N 2.935 126.082 122.820 0.544 0.000 3.410 261 A HA 0.368 4.688 4.320 0.000 0.000 0.276 261 A C -0.444 177.600 177.584 0.767 0.000 0.995 261 A CA -1.101 51.387 52.037 0.752 0.000 0.934 261 A CB 0.211 19.879 19.000 1.113 0.000 1.191 261 A HN 0.320 8.776 8.150 0.510 0.000 0.511 262 G N 3.848 112.975 108.800 0.545 0.000 2.557 262 G HA2 -0.463 3.497 3.960 0.000 0.000 0.292 262 G HA3 -0.463 3.497 3.960 0.000 0.000 0.292 262 G C 0.069 175.225 174.900 0.426 0.000 1.162 262 G CA 0.760 46.146 45.100 0.477 0.000 0.964 262 G HN 0.267 8.769 8.290 0.354 0.000 0.541 263 R N 2.611 123.249 120.500 0.231 0.000 2.280 263 R HA -0.067 4.273 4.340 0.000 0.000 0.207 263 R C -1.017 175.432 176.300 0.247 0.000 1.043 263 R CA 1.786 57.959 56.100 0.122 0.000 1.006 263 R CB 0.620 30.890 30.300 -0.050 0.000 0.885 263 R HN -0.065 8.290 8.270 0.141 0.000 0.467 264 D N -1.700 118.894 120.400 0.322 0.000 2.375 264 D HA 0.618 5.258 4.640 0.000 0.000 0.247 264 D C -1.941 174.425 176.300 0.109 0.000 1.061 264 D CA -0.037 54.102 54.000 0.232 0.000 0.834 264 D CB 3.004 43.932 40.800 0.215 0.000 1.247 264 D HN -0.779 7.766 8.370 0.396 0.062 0.489 265 I N 1.177 121.736 120.570 -0.019 0.000 2.509 265 I HA 0.703 4.873 4.170 0.000 0.000 0.293 265 I C -1.659 174.367 176.117 -0.151 0.000 1.020 265 I CA -0.988 60.342 61.300 0.051 0.000 1.088 265 I CB 3.598 41.697 38.000 0.165 0.000 1.267 265 I HN 0.873 9.091 8.210 0.012 0.000 0.430 266 F N 5.468 125.667 119.950 0.417 0.000 2.458 266 F HA 0.799 5.326 4.527 0.000 0.000 0.336 266 F C -1.651 174.257 175.800 0.181 0.000 1.114 266 F CA -1.870 56.328 58.000 0.329 0.000 0.987 266 F CB 2.377 41.593 39.000 0.360 0.000 1.130 266 F HN 0.514 9.100 8.300 0.476 0.000 0.458 267 A N 2.370 125.283 122.820 0.155 0.000 2.454 267 A HA 0.982 5.302 4.320 0.000 0.000 0.302 267 A C -2.807 174.707 177.584 -0.117 0.000 1.079 267 A CA -1.726 50.174 52.037 -0.228 0.000 0.731 267 A CB 3.717 22.374 19.000 -0.571 0.000 1.299 267 A HN 1.179 9.353 8.150 0.213 0.104 0.413 268 Q N -0.323 119.357 119.800 -0.199 0.000 2.356 268 Q HA 0.468 4.808 4.340 0.000 0.000 0.270 268 Q C -1.517 174.341 176.000 -0.237 0.000 1.058 268 Q CA -1.620 54.130 55.803 -0.088 0.000 0.802 268 Q CB 3.309 32.106 28.738 0.099 0.000 1.303 268 Q HN -0.128 7.930 8.270 -0.353 0.000 0.444 269 R N 5.501 125.834 120.500 -0.277 0.000 2.347 269 R HA 0.068 4.408 4.340 0.000 0.000 0.304 269 R C -1.156 174.743 176.300 -0.668 0.000 1.072 269 R CA -0.134 55.636 56.100 -0.551 0.000 0.980 269 R CB -0.145 29.666 30.300 -0.814 0.000 0.986 269 R HN 0.448 8.625 8.270 -0.155 0.000 0.448 270 S N 3.800 119.073 115.700 -0.712 0.000 2.900 270 S HA 0.440 4.910 4.470 0.000 0.000 0.320 270 S C -0.341 173.804 174.600 -0.759 0.000 1.130 270 S CA -1.513 56.249 58.200 -0.730 0.000 0.863 270 S CB 3.073 66.102 63.200 -0.286 0.000 1.295 270 S HN 0.425 8.293 8.310 -0.561 0.106 0.596 271 Q N -1.980 117.631 119.800 -0.316 0.000 2.226 271 Q HA -0.067 4.273 4.340 0.000 0.000 0.204 271 Q C 2.072 178.049 176.000 -0.038 0.000 0.975 271 Q CA 2.464 58.222 55.803 -0.075 0.000 0.866 271 Q CB 0.426 29.204 28.738 0.066 0.000 0.915 271 Q HN 0.066 8.223 8.270 -0.189 0.000 0.440 272 V N -10.750 109.138 119.914 -0.044 0.000 3.605 272 V HA 0.273 4.393 4.120 0.000 0.000 0.284 272 V C 0.031 176.141 176.094 0.026 0.000 1.386 272 V CA -0.734 61.591 62.300 0.040 0.000 1.053 272 V CB 0.364 32.216 31.823 0.048 0.000 0.857 272 V HN -0.764 7.339 8.190 -0.099 0.027 0.436 273 T N 5.678 120.194 114.554 -0.063 0.000 2.833 273 T HA 0.354 4.704 4.350 0.000 0.000 0.297 273 T C -1.506 173.088 174.700 -0.178 0.000 1.015 273 T CA -0.247 61.840 62.100 -0.022 0.000 0.963 273 T CB 0.824 69.667 68.868 -0.041 0.000 0.955 273 T HN -0.628 7.401 8.240 -0.168 0.110 0.449 274 N N 7.225 125.877 118.700 -0.081 0.000 2.476 274 N HA 0.390 5.130 4.740 0.000 0.000 0.276 274 N C 0.530 175.971 175.510 -0.115 0.000 1.204 274 N CA -2.539 50.419 53.050 -0.153 0.000 0.974 274 N CB 1.008 39.483 38.487 -0.021 0.000 1.204 274 N HN -0.211 8.192 8.380 0.039 0.000 0.543 275 Y N -1.761 118.569 120.300 0.049 0.000 2.224 275 Y HA -0.279 4.271 4.550 0.000 0.000 0.289 275 Y C 2.345 178.296 175.900 0.085 0.000 1.146 275 Y CA 3.940 62.074 58.100 0.057 0.000 1.182 275 Y CB -0.036 38.458 38.460 0.057 0.000 0.983 275 Y HN 0.130 8.685 8.280 -0.119 -0.347 0.524 276 L N -1.126 120.238 121.223 0.235 0.000 2.046 276 L HA -0.465 3.875 4.340 0.000 0.000 0.208 276 L C 2.443 179.459 176.870 0.242 0.000 1.077 276 L CA 2.779 57.738 54.840 0.198 0.000 0.747 276 L CB -0.553 41.591 42.059 0.141 0.000 0.896 276 L HN 0.024 8.654 8.230 0.217 -0.270 0.432 277 G N -1.346 107.601 108.800 0.246 0.000 2.418 277 G HA2 -0.341 3.619 3.960 0.000 0.000 0.217 277 G HA3 -0.341 3.619 3.960 0.000 0.000 0.217 277 G C 1.161 176.230 174.900 0.282 0.000 1.158 277 G CA 2.096 47.424 45.100 0.380 0.000 0.771 277 G HN 0.118 8.771 8.290 0.190 -0.248 0.545 278 I N 1.672 122.360 120.570 0.198 0.000 2.252 278 I HA -0.520 3.650 4.170 0.000 0.000 0.245 278 I C 1.366 177.593 176.117 0.184 0.000 1.102 278 I CA 3.734 65.148 61.300 0.190 0.000 1.385 278 I CB -0.051 38.017 38.000 0.114 0.000 1.064 278 I HN -0.129 8.181 8.210 0.165 0.000 0.414 279 E N 0.304 120.617 120.200 0.189 0.000 2.110 279 E HA -0.306 4.044 4.350 0.000 0.000 0.193 279 E C 1.745 178.420 176.600 0.125 0.000 0.988 279 E CA 2.808 59.289 56.400 0.135 0.000 0.804 279 E CB -0.640 29.139 29.700 0.131 0.000 0.745 279 E HN -0.058 8.430 8.360 0.212 0.000 0.458 280 W N 0.429 121.766 121.300 0.062 0.000 2.355 280 W HA -0.324 4.336 4.660 0.000 0.000 0.309 280 W C 2.050 178.595 176.519 0.043 0.000 1.206 280 W CA 4.012 61.397 57.345 0.066 0.000 1.284 280 W CB 0.151 29.677 29.460 0.110 0.000 1.145 280 W HN -0.151 8.161 8.180 0.380 0.096 0.502 281 M N -1.849 117.876 119.600 0.207 0.000 2.117 281 M HA -0.470 4.010 4.480 0.000 0.000 0.262 281 M C 2.411 178.652 176.300 -0.099 0.000 1.065 281 M CA 2.764 58.051 55.300 -0.021 0.000 1.114 281 M CB -1.058 31.393 32.600 -0.248 0.000 1.361 281 M HN -0.561 7.903 8.290 0.290 0.000 0.408 282 R N -0.945 119.530 120.500 -0.042 0.000 2.083 282 R HA -0.392 3.948 4.340 0.000 0.000 0.237 282 R C 2.184 178.414 176.300 -0.116 0.000 1.137 282 R CA 3.892 59.958 56.100 -0.056 0.000 0.951 282 R CB -0.053 30.232 30.300 -0.025 0.000 0.851 282 R HN 0.109 8.392 8.270 0.021 0.000 0.434 283 R N -2.495 117.907 120.500 -0.164 0.000 2.092 283 R HA -0.253 4.087 4.340 0.000 0.000 0.231 283 R C 2.047 178.172 176.300 -0.291 0.000 1.119 283 R CA 2.824 58.800 56.100 -0.207 0.000 0.970 283 R CB -0.196 29.976 30.300 -0.212 0.000 0.864 283 R HN -0.138 8.045 8.270 -0.145 0.000 0.440 284 H N -1.491 117.254 119.070 -0.543 0.000 2.423 284 H HA -0.151 4.405 4.556 0.000 0.000 0.297 284 H C 1.127 176.284 175.328 -0.286 0.000 1.075 284 H CA 2.703 58.405 56.048 -0.576 0.000 1.342 284 H CB 0.860 29.971 29.762 -1.086 0.000 1.395 284 H HN -0.285 7.715 8.280 -0.466 0.000 0.530 285 L N -2.947 118.136 121.223 -0.233 0.000 2.416 285 L HA 0.012 4.352 4.340 0.000 0.000 0.216 285 L C -0.209 176.649 176.870 -0.020 0.000 1.098 285 L CA 0.125 54.904 54.840 -0.101 0.000 0.840 285 L CB 0.672 42.728 42.059 -0.006 0.000 0.981 285 L HN -0.379 7.748 8.230 -0.171 0.000 0.462 286 A N 0.817 123.591 122.820 -0.078 0.000 2.520 286 A HA -0.024 4.296 4.320 0.000 0.000 0.235 286 A C -1.517 176.018 177.584 -0.082 0.000 1.065 286 A CA 0.008 52.005 52.037 -0.067 0.000 0.764 286 A CB -0.939 18.009 19.000 -0.087 0.000 1.002 286 A HN -0.502 7.578 8.150 -0.118 0.000 0.502 287 P HA 0.168 4.588 4.420 0.000 0.000 0.257 287 P C -0.458 176.785 177.300 -0.095 0.000 1.241 287 P CA 0.208 63.265 63.100 -0.073 0.000 0.816 287 P CB 1.093 32.750 31.700 -0.073 0.000 1.150 288 D N -0.638 119.695 120.400 -0.111 0.000 2.144 288 D HA -0.168 4.472 4.640 0.000 0.000 0.199 288 D C -0.342 175.653 176.300 -0.509 0.000 0.984 288 D CA 3.193 57.015 54.000 -0.297 0.000 0.834 288 D CB 0.735 41.345 40.800 -0.317 0.000 0.955 288 D HN 0.153 8.436 8.370 -0.062 0.050 0.465 289 Y N -3.107 117.171 120.300 -0.037 0.000 2.468 289 Y HA 0.353 4.903 4.550 0.000 0.000 0.342 289 Y C -0.962 174.896 175.900 -0.070 0.000 1.021 289 Y CA -1.141 56.945 58.100 -0.023 0.000 1.079 289 Y CB 2.897 41.357 38.460 -0.001 0.000 1.226 289 Y HN -0.846 7.503 8.280 0.116 0.000 0.460 290 R N 1.101 121.634 120.500 0.054 0.000 2.445 290 R HA 0.412 4.752 4.340 0.000 0.000 0.308 290 R C -1.947 174.196 176.300 -0.262 0.000 0.961 290 R CA -1.134 54.874 56.100 -0.154 0.000 0.862 290 R CB 2.161 32.329 30.300 -0.220 0.000 1.144 290 R HN 0.881 9.223 8.270 0.120 0.000 0.447 291 V N 3.421 123.162 119.914 -0.288 0.000 2.347 291 V HA 0.393 4.513 4.120 0.000 0.000 0.280 291 V C -0.715 175.191 176.094 -0.312 0.000 1.021 291 V CA -1.017 61.176 62.300 -0.177 0.000 0.847 291 V CB 0.254 32.078 31.823 0.002 0.000 0.990 291 V HN 0.388 8.432 8.190 -0.244 0.000 0.444 292 H N 6.288 125.305 119.070 -0.088 0.000 2.472 292 H HA 0.376 4.932 4.556 0.000 0.000 0.338 292 H C -1.100 174.274 175.328 0.077 0.000 1.133 292 H CA -1.856 54.185 56.048 -0.011 0.000 1.216 292 H CB 3.098 32.859 29.762 -0.001 0.000 1.497 292 H HN 0.942 9.094 8.280 -0.033 0.109 0.500 293 I N 2.295 122.974 120.570 0.182 0.000 2.336 293 I HA 0.564 4.734 4.170 0.000 0.000 0.292 293 I C -0.193 175.988 176.117 0.107 0.000 0.991 293 I CA -0.649 60.731 61.300 0.133 0.000 1.227 293 I CB 0.853 38.938 38.000 0.142 0.000 1.366 293 I HN 0.375 8.679 8.210 0.156 0.000 0.466 294 I N 3.362 123.952 120.570 0.035 0.000 2.934 294 I HA 0.611 4.781 4.170 0.000 0.000 0.306 294 I C -2.212 173.725 176.117 -0.300 0.000 1.110 294 I CA -2.109 59.098 61.300 -0.155 0.000 1.019 294 I CB 3.587 41.429 38.000 -0.264 0.000 1.227 294 I HN 0.742 8.981 8.210 0.047 0.000 0.434 295 S N -1.025 114.387 115.700 -0.480 0.000 2.632 295 S HA 0.422 4.892 4.470 0.000 0.000 0.289 295 S C -1.633 172.372 174.600 -0.991 0.000 1.115 295 S CA -1.457 56.505 58.200 -0.396 0.000 0.889 295 S CB 3.310 66.579 63.200 0.115 0.000 1.116 295 S HN 0.170 8.353 8.310 -0.457 -0.146 0.486 296 F N -2.264 117.485 119.950 -0.335 0.000 2.650 296 F HA 0.398 4.925 4.527 0.000 0.000 0.320 296 F C -0.933 174.665 175.800 -0.337 0.000 1.091 296 F CA -1.164 56.545 58.000 -0.484 0.000 0.962 296 F CB 4.418 43.293 39.000 -0.209 0.000 1.363 296 F HN 0.064 8.378 8.300 0.022 0.000 0.482 297 K N 2.474 122.875 120.400 0.001 0.000 2.228 297 K HA -0.200 4.120 4.320 0.000 0.000 0.284 297 K C -1.310 175.422 176.600 0.219 0.000 1.088 297 K CA 0.446 56.866 56.287 0.222 0.000 0.941 297 K CB -0.358 32.271 32.500 0.216 0.000 1.158 297 K HN 0.076 8.314 8.250 -0.019 0.000 0.438 298 D N 4.615 125.132 120.400 0.196 0.000 2.591 298 D HA 0.202 4.842 4.640 0.000 0.000 0.222 298 D C -1.546 174.721 176.300 -0.054 0.000 1.360 298 D CA -2.596 51.454 54.000 0.084 0.000 0.967 298 D CB 2.670 43.529 40.800 0.098 0.000 1.456 298 D HN -0.553 7.954 8.370 0.228 0.000 0.588 299 P HA -0.025 4.395 4.420 0.000 0.000 0.249 299 P C -1.189 176.063 177.300 -0.079 0.000 1.229 299 P CA 0.523 63.361 63.100 -0.436 0.000 0.788 299 P CB 0.679 31.931 31.700 -0.747 0.000 1.072 300 N N -0.562 118.143 118.700 0.008 0.000 2.651 300 N HA 0.231 4.971 4.740 0.000 0.000 0.277 300 N C -2.874 172.685 175.510 0.082 0.000 1.787 300 N CA -2.357 50.736 53.050 0.072 0.000 0.818 300 N CB 0.573 39.062 38.487 0.004 0.000 1.316 300 N HN -0.135 8.537 8.380 -0.002 -0.294 0.503 301 P HA 0.060 4.480 4.420 0.000 0.000 0.275 301 P C -2.025 175.261 177.300 -0.023 0.000 1.227 301 P CA -0.237 62.891 63.100 0.046 0.000 0.781 301 P CB 1.182 32.925 31.700 0.070 0.000 0.906 302 M N 4.725 124.271 119.600 -0.090 0.000 2.422 302 M HA 0.045 4.525 4.480 0.000 0.000 0.200 302 M C -2.471 173.630 176.300 -0.333 0.000 0.964 302 M CA 0.543 55.683 55.300 -0.267 0.000 0.916 302 M CB 1.020 33.417 32.600 -0.339 0.000 2.643 302 M HN 0.036 8.291 8.290 -0.058 0.000 0.429 303 H N -0.228 118.836 119.070 -0.010 0.000 4.932 303 H HA -0.197 4.359 4.556 0.000 0.000 0.318 303 H C -1.697 173.633 175.328 0.003 0.000 0.672 303 H CA 0.099 56.156 56.048 0.015 0.000 0.810 303 H CB -0.221 29.562 29.762 0.034 0.000 1.235 303 H HN 0.066 8.728 8.280 0.042 -0.357 0.336 304 I N 0.720 121.384 120.570 0.157 0.000 3.941 304 I HA 0.059 4.229 4.170 0.000 0.000 0.321 304 I C -0.306 175.843 176.117 0.053 0.000 1.284 304 I CA -0.503 60.833 61.300 0.059 0.000 1.226 304 I CB 1.601 39.674 38.000 0.121 0.000 1.045 304 I HN 0.483 8.707 8.210 0.194 0.103 0.420 305 D N 1.172 121.643 120.400 0.120 0.000 2.378 305 D HA -0.168 4.472 4.640 0.000 0.000 0.227 305 D C -0.517 175.819 176.300 0.059 0.000 1.012 305 D CA 0.953 55.000 54.000 0.079 0.000 0.905 305 D CB -1.107 39.786 40.800 0.156 0.000 0.895 305 D HN -0.350 8.126 8.370 0.176 0.000 0.532 306 A N -3.810 119.045 122.820 0.058 0.000 2.606 306 A HA 0.290 4.610 4.320 0.000 0.000 0.290 306 A C -0.547 177.003 177.584 -0.056 0.000 1.174 306 A CA -0.205 51.879 52.037 0.078 0.000 0.958 306 A CB 0.934 20.032 19.000 0.165 0.000 1.194 306 A HN -0.049 8.063 8.150 0.048 0.066 0.526 307 T N 0.263 114.724 114.554 -0.155 0.000 3.340 307 T HA 0.257 4.607 4.350 0.000 0.000 0.272 307 T C -1.432 173.111 174.700 -0.262 0.000 0.965 307 T CA 1.703 63.592 62.100 -0.350 0.000 1.040 307 T CB 2.982 71.468 68.868 -0.637 0.000 1.183 307 T HN -0.439 7.656 8.240 -0.099 0.086 0.478 308 F N 2.585 122.327 119.950 -0.347 0.000 3.094 308 F HA 0.353 4.880 4.527 0.000 0.000 0.385 308 F C -2.784 172.956 175.800 -0.100 0.000 1.231 308 F CA -0.771 57.111 58.000 -0.197 0.000 1.207 308 F CB 1.986 40.932 39.000 -0.090 0.000 1.703 308 F HN 0.012 8.267 8.300 -0.075 0.000 0.610 309 N N 6.706 125.283 118.700 -0.205 0.000 2.457 309 N HA 0.301 5.041 4.740 0.000 0.000 0.250 309 N C -1.111 174.265 175.510 -0.223 0.000 0.982 309 N CA -1.432 51.516 53.050 -0.170 0.000 0.941 309 N CB 2.263 40.675 38.487 -0.125 0.000 1.120 309 N HN 0.059 8.297 8.380 -0.237 0.000 0.505 310 I N 6.072 126.568 120.570 -0.123 0.000 2.379 310 I HA -0.103 4.067 4.170 0.000 0.000 0.290 310 I C -0.318 175.808 176.117 0.015 0.000 1.063 310 I CA 1.084 62.331 61.300 -0.089 0.000 1.351 310 I CB 0.054 38.151 38.000 0.162 0.000 1.410 310 I HN 0.517 8.713 8.210 -0.023 0.000 0.505 311 I N 0.755 121.247 120.570 -0.129 0.000 4.082 311 I HA 0.289 4.459 4.170 0.000 0.000 0.337 311 I C -0.956 175.016 176.117 -0.241 0.000 1.352 311 I CA -1.203 60.063 61.300 -0.056 0.000 1.097 311 I CB 1.365 39.366 38.000 0.001 0.000 1.048 311 I HN -0.017 8.039 8.210 -0.257 0.000 0.393 312 G N -1.190 107.141 108.800 -0.782 0.000 2.451 312 G HA2 0.249 4.209 3.960 0.000 0.000 0.292 312 G HA3 0.249 4.209 3.960 0.000 0.000 0.292 312 G C -3.545 170.070 174.900 -2.142 0.000 1.427 312 G CA -0.360 43.877 45.100 -1.438 0.000 0.792 312 G HN -0.900 6.901 8.290 -0.814 0.000 0.498 313 P HA -0.007 4.413 4.420 0.000 0.000 0.269 313 P C -0.314 176.347 177.300 -1.065 0.000 1.263 313 P CA 0.218 62.450 63.100 -1.447 0.000 0.813 313 P CB -0.754 30.502 31.700 -0.741 0.000 0.868 314 G N 3.509 111.432 108.800 -1.462 0.000 2.147 314 G HA2 -0.455 3.505 3.960 0.000 0.000 0.244 314 G HA3 -0.455 3.505 3.960 0.000 0.000 0.244 314 G C -1.647 172.625 174.900 -1.047 0.000 1.005 314 G CA 0.368 44.420 45.100 -1.746 0.000 0.713 314 G HN 0.241 7.531 8.290 -1.667 0.000 0.515 315 I N -0.854 119.154 120.570 -0.936 0.000 2.499 315 I HA 0.716 4.886 4.170 0.000 0.000 0.288 315 I C -2.344 173.480 176.117 -0.488 0.000 1.048 315 I CA -0.428 60.550 61.300 -0.536 0.000 1.062 315 I CB 2.752 40.489 38.000 -0.438 0.000 1.238 315 I HN -0.674 6.811 8.210 -1.156 0.031 0.426 316 V N 7.054 126.751 119.914 -0.361 0.000 2.841 316 V HA 0.741 4.861 4.120 0.000 0.000 0.310 316 V C -2.532 173.342 176.094 -0.367 0.000 1.090 316 V CA -2.343 59.688 62.300 -0.448 0.000 0.930 316 V CB 4.555 35.936 31.823 -0.736 0.000 1.014 316 V HN 0.674 8.700 8.190 -0.273 0.000 0.425 317 L N 7.837 128.853 121.223 -0.345 0.000 2.260 317 L HA 0.716 5.056 4.340 0.000 0.000 0.289 317 L C -1.704 174.999 176.870 -0.278 0.000 1.057 317 L CA -1.372 53.325 54.840 -0.238 0.000 0.811 317 L CB 0.309 42.289 42.059 -0.131 0.000 1.184 317 L HN 0.647 8.658 8.230 -0.364 0.000 0.429 318 S N 4.814 120.393 115.700 -0.202 0.000 2.456 318 S HA 0.201 4.671 4.470 0.000 0.000 0.316 318 S C -1.344 173.148 174.600 -0.180 0.000 1.089 318 S CA -1.454 56.672 58.200 -0.123 0.000 1.101 318 S CB 1.348 64.544 63.200 -0.008 0.000 0.995 318 S HN 0.591 8.797 8.310 -0.172 0.000 0.468 319 N N 8.734 127.267 118.700 -0.278 0.000 2.434 319 N HA 0.081 4.821 4.740 0.000 0.000 0.268 319 N C 0.030 175.294 175.510 -0.411 0.000 1.256 319 N CA -1.741 50.971 53.050 -0.564 0.000 0.914 319 N CB 0.555 38.620 38.487 -0.703 0.000 1.088 319 N HN 0.170 8.413 8.380 -0.228 0.000 0.478 320 P HA -0.225 4.195 4.420 0.000 0.000 0.217 320 P C 0.117 177.353 177.300 -0.108 0.000 1.148 320 P CA 2.245 65.253 63.100 -0.153 0.000 0.828 320 P CB 0.096 31.770 31.700 -0.043 0.000 0.783 321 D N -2.649 117.632 120.400 -0.198 0.000 2.323 321 D HA 0.054 4.694 4.640 0.000 0.000 0.209 321 D C 0.305 176.576 176.300 -0.048 0.000 0.973 321 D CA 0.893 54.860 54.000 -0.056 0.000 0.874 321 D CB 0.487 41.303 40.800 0.028 0.000 0.930 321 D HN 0.065 8.451 8.370 -0.450 -0.286 0.521 322 R N -0.777 119.646 120.500 -0.128 0.000 2.651 322 R HA 0.450 4.790 4.340 0.000 0.000 0.282 322 R C -2.537 173.792 176.300 0.050 0.000 1.565 322 R CA -2.839 53.235 56.100 -0.043 0.000 1.661 322 R CB 0.676 30.884 30.300 -0.153 0.000 1.189 322 R HN -0.406 7.673 8.270 -0.241 0.046 0.621 323 P HA -0.038 4.382 4.420 0.000 0.000 0.268 323 P C -1.388 175.974 177.300 0.104 0.000 1.205 323 P CA -0.618 62.545 63.100 0.105 0.000 0.771 323 P CB 0.766 32.511 31.700 0.075 0.000 0.858 324 C N 3.493 122.858 119.300 0.107 0.000 2.514 324 C HA 0.166 4.626 4.460 0.000 0.000 0.392 324 C C 1.939 176.815 174.990 -0.190 0.000 1.294 324 C CA -1.153 57.723 59.018 -0.237 0.000 1.957 324 C CB 0.036 27.628 27.740 -0.247 0.000 2.541 324 C HN 0.600 8.930 8.230 0.165 0.000 0.569 325 H N 7.581 126.535 119.070 -0.193 0.000 2.491 325 H HA -0.267 4.289 4.556 0.000 0.000 0.290 325 H C 0.980 176.253 175.328 -0.091 0.000 1.050 325 H CA 1.996 57.983 56.048 -0.101 0.000 1.309 325 H CB 0.091 29.796 29.762 -0.095 0.000 1.392 325 H HN 0.707 8.439 8.280 -0.731 0.109 0.554 326 Q N -2.750 117.032 119.800 -0.031 0.000 2.225 326 Q HA 0.163 4.503 4.340 0.000 0.000 0.259 326 Q C 0.202 176.226 176.000 0.040 0.000 0.872 326 Q CA -1.143 54.637 55.803 -0.037 0.000 1.042 326 Q CB -0.764 27.910 28.738 -0.107 0.000 1.142 326 Q HN -0.594 7.540 8.270 -0.160 0.039 0.463 327 I N 1.795 122.426 120.570 0.102 0.000 2.335 327 I HA -0.493 3.677 4.170 0.000 0.000 0.251 327 I C 0.042 176.268 176.117 0.181 0.000 1.129 327 I CA 2.543 63.981 61.300 0.230 0.000 1.402 327 I CB 0.281 38.376 38.000 0.158 0.000 1.069 327 I HN -0.730 7.444 8.210 0.060 0.073 0.424 328 D N -1.017 119.418 120.400 0.058 0.000 2.263 328 D HA -0.264 4.376 4.640 0.000 0.000 0.208 328 D C 2.110 178.367 176.300 -0.072 0.000 0.971 328 D CA 3.598 57.605 54.000 0.011 0.000 0.867 328 D CB -0.210 40.589 40.800 -0.002 0.000 0.929 328 D HN 0.103 8.483 8.370 0.042 0.015 0.492 329 L N -0.043 121.063 121.223 -0.195 0.000 2.046 329 L HA -0.289 4.051 4.340 0.000 0.000 0.208 329 L C 1.268 177.827 176.870 -0.519 0.000 1.077 329 L CA 3.190 57.783 54.840 -0.411 0.000 0.747 329 L CB -0.222 41.442 42.059 -0.658 0.000 0.896 329 L HN -0.580 7.519 8.230 -0.162 0.033 0.432 330 F N -2.845 116.957 119.950 -0.248 0.000 2.234 330 F HA -0.297 4.230 4.527 0.000 0.000 0.296 330 F C 1.913 177.638 175.800 -0.126 0.000 1.089 330 F CA 3.704 61.491 58.000 -0.355 0.000 1.343 330 F CB -0.511 38.337 39.000 -0.254 0.000 1.040 330 F HN -0.645 7.432 8.300 -0.202 0.102 0.498 331 K N -0.714 119.769 120.400 0.139 0.000 2.097 331 K HA -0.342 3.978 4.320 0.000 0.000 0.206 331 K C 2.898 179.538 176.600 0.067 0.000 1.049 331 K CA 3.421 59.779 56.287 0.118 0.000 0.933 331 K CB -0.462 32.093 32.500 0.092 0.000 0.717 331 K HN -0.167 8.100 8.250 0.145 0.070 0.442 332 K N -0.472 119.930 120.400 0.003 0.000 2.211 332 K HA -0.193 4.127 4.320 0.000 0.000 0.203 332 K C 1.206 177.807 176.600 0.001 0.000 1.050 332 K CA 2.309 58.590 56.287 -0.010 0.000 0.945 332 K CB -0.216 32.254 32.500 -0.049 0.000 0.732 332 K HN 0.011 8.236 8.250 -0.028 0.008 0.451 333 A N -3.916 118.889 122.820 -0.025 0.000 2.238 333 A HA 0.116 4.436 4.320 0.000 0.000 0.208 333 A C 0.134 177.860 177.584 0.236 0.000 1.177 333 A CA -0.329 51.729 52.037 0.035 0.000 0.804 333 A CB -0.632 18.256 19.000 -0.187 0.000 0.823 333 A HN -0.735 7.219 8.150 -0.082 0.147 0.482 334 G N -2.153 106.775 108.800 0.214 0.000 2.160 334 G HA2 -0.272 3.688 3.960 0.000 0.000 0.244 334 G HA3 -0.272 3.688 3.960 0.000 0.000 0.244 334 G C -0.268 174.841 174.900 0.348 0.000 1.022 334 G CA 0.082 45.322 45.100 0.233 0.000 0.741 334 G HN -0.554 7.620 8.290 0.143 0.202 0.508 335 W N -0.865 120.478 121.300 0.070 0.000 2.313 335 W HA 0.056 4.716 4.660 0.000 0.000 0.328 335 W C 0.434 176.954 176.519 0.001 0.000 1.197 335 W CA -1.552 55.819 57.345 0.043 0.000 1.235 335 W CB 0.568 30.090 29.460 0.103 0.000 1.158 335 W HN -0.548 7.898 8.180 0.483 0.024 0.578 336 T N 5.711 120.324 114.554 0.099 0.000 2.727 336 T HA 0.204 4.554 4.350 0.000 0.000 0.298 336 T C -1.237 173.453 174.700 -0.017 0.000 0.942 336 T CA 0.396 62.502 62.100 0.010 0.000 0.997 336 T CB -0.075 68.748 68.868 -0.075 0.000 0.917 336 T HN 1.020 9.142 8.240 -0.025 0.103 0.487 337 I N 7.846 128.423 120.570 0.011 0.000 2.304 337 I HA 0.398 4.568 4.170 0.000 0.000 0.291 337 I C -0.837 175.243 176.117 -0.060 0.000 1.018 337 I CA -0.781 60.500 61.300 -0.032 0.000 1.260 337 I CB 0.607 38.621 38.000 0.025 0.000 1.390 337 I HN 0.348 8.583 8.210 0.042 0.000 0.475 338 I N 9.515 130.019 120.570 -0.110 0.000 2.377 338 I HA 0.271 4.441 4.170 0.000 0.000 0.293 338 I C -1.075 174.975 176.117 -0.112 0.000 0.987 338 I CA -1.960 59.272 61.300 -0.114 0.000 1.185 338 I CB 1.534 39.439 38.000 -0.159 0.000 1.341 338 I HN 0.875 8.996 8.210 -0.148 0.000 0.455 339 T N 3.458 117.964 114.554 -0.081 0.000 2.753 339 T HA 0.502 4.852 4.350 0.000 0.000 0.297 339 T C -1.725 172.948 174.700 -0.045 0.000 0.981 339 T CA -3.734 58.326 62.100 -0.067 0.000 0.956 339 T CB 0.360 69.205 68.868 -0.038 0.000 0.936 339 T HN 0.303 8.502 8.240 -0.068 0.000 0.463 340 P HA 0.376 4.796 4.420 0.000 0.000 0.272 340 P C -2.381 175.002 177.300 0.138 0.000 1.240 340 P CA -1.760 61.355 63.100 0.025 0.000 0.791 340 P CB -0.668 31.085 31.700 0.089 0.000 0.978 341 P HA 0.064 4.484 4.420 0.000 0.000 0.274 341 P C -0.920 176.460 177.300 0.132 0.000 1.256 341 P CA -0.622 62.534 63.100 0.094 0.000 0.795 341 P CB 0.554 32.266 31.700 0.020 0.000 1.038 342 T N -4.194 110.393 114.554 0.055 0.000 2.898 342 T HA 0.054 4.404 4.350 0.000 0.000 0.301 342 T C -1.085 173.428 174.700 -0.311 0.000 1.049 342 T CA -2.244 59.751 62.100 -0.175 0.000 1.095 342 T CB -0.893 67.917 68.868 -0.098 0.000 0.976 342 T HN -0.192 8.083 8.240 0.059 0.000 0.539 343 P HA 0.096 4.516 4.420 0.000 0.000 0.272 343 P C -0.693 176.457 177.300 -0.250 0.000 1.223 343 P CA -0.578 62.284 63.100 -0.397 0.000 0.784 343 P CB 0.539 31.910 31.700 -0.547 0.000 0.923 344 I N -5.728 114.742 120.570 -0.167 0.000 3.974 344 I HA 0.261 4.431 4.170 0.000 0.000 0.334 344 I C -0.093 175.954 176.117 -0.117 0.000 1.437 344 I CA -1.195 60.031 61.300 -0.123 0.000 1.113 344 I CB 0.838 38.786 38.000 -0.086 0.000 1.063 344 I HN 0.080 8.720 8.210 -0.149 -0.519 0.400 345 I N 3.566 124.053 120.570 -0.139 0.000 2.618 345 I HA 0.040 4.210 4.170 0.000 0.000 0.284 345 I C -2.253 173.804 176.117 -0.101 0.000 1.146 345 I CA -2.320 58.902 61.300 -0.130 0.000 1.425 345 I CB 1.413 39.330 38.000 -0.138 0.000 1.383 345 I HN -0.692 7.419 8.210 -0.166 -0.001 0.562 346 P HA -0.041 4.379 4.420 0.000 0.000 0.266 346 P C -0.729 176.556 177.300 -0.025 0.000 1.195 346 P CA 0.256 63.330 63.100 -0.044 0.000 0.768 346 P CB 0.722 32.407 31.700 -0.025 0.000 0.838 347 D N 1.895 122.274 120.400 -0.036 0.000 2.269 347 D HA -0.239 4.401 4.640 0.000 0.000 0.208 347 D C 0.874 177.156 176.300 -0.030 0.000 0.963 347 D CA 2.767 56.741 54.000 -0.043 0.000 0.864 347 D CB -0.222 40.547 40.800 -0.051 0.000 0.936 347 D HN 0.386 8.732 8.370 -0.039 0.000 0.505 348 D N -4.993 115.400 120.400 -0.012 0.000 2.355 348 D HA -0.130 4.510 4.640 0.000 0.000 0.218 348 D C -0.326 175.976 176.300 0.003 0.000 1.004 348 D CA 0.381 54.375 54.000 -0.010 0.000 0.880 348 D CB -0.147 40.651 40.800 -0.003 0.000 0.911 348 D HN 0.082 8.412 8.370 -0.008 0.035 0.528 349 H N 2.850 121.872 119.070 -0.081 0.000 2.690 349 H HA 0.234 4.790 4.556 0.000 0.000 0.314 349 H C -1.898 173.326 175.328 -0.173 0.000 1.069 349 H CA -2.409 53.574 56.048 -0.109 0.000 1.436 349 H CB 1.100 30.800 29.762 -0.103 0.000 1.462 349 H HN -0.571 7.602 8.280 0.092 0.162 0.511 350 P HA -0.025 4.395 4.420 0.000 0.000 0.271 350 P C -1.527 175.112 177.300 -1.102 0.000 1.233 350 P CA -0.130 62.417 63.100 -0.921 0.000 0.764 350 P CB 0.304 31.208 31.700 -1.327 0.000 0.825 351 L N 3.925 124.732 121.223 -0.693 0.000 2.445 351 L HA 0.232 4.572 4.340 0.000 0.000 0.252 351 L C 0.192 176.710 176.870 -0.586 0.000 1.105 351 L CA -0.773 53.794 54.840 -0.455 0.000 0.943 351 L CB 0.018 41.994 42.059 -0.139 0.000 1.277 351 L HN -0.037 7.960 8.230 -0.389 0.000 0.465 352 W N 2.776 123.759 121.300 -0.528 0.000 2.392 352 W HA -0.176 4.484 4.660 0.000 0.000 0.279 352 W C 0.122 176.663 176.519 0.037 0.000 1.225 352 W CA 2.382 59.409 57.345 -0.530 0.000 1.233 352 W CB 0.055 29.390 29.460 -0.208 0.000 1.122 352 W HN -0.214 7.498 8.180 -0.780 0.000 0.561 353 M N -5.838 113.955 119.600 0.321 0.000 2.306 353 M HA 0.215 4.695 4.480 0.000 0.000 0.292 353 M C -0.820 175.672 176.300 0.319 0.000 1.018 353 M CA 0.087 55.621 55.300 0.390 0.000 1.007 353 M CB 1.575 34.401 32.600 0.378 0.000 1.510 353 M HN -0.483 7.889 8.290 0.193 0.033 0.537 354 S N -1.351 114.519 115.700 0.284 0.000 3.287 354 S HA 0.201 4.671 4.470 0.000 0.000 0.324 354 S C -1.212 173.590 174.600 0.336 0.000 1.205 354 S CA -1.276 57.107 58.200 0.305 0.000 1.020 354 S CB 1.515 64.849 63.200 0.223 0.000 1.398 354 S HN -0.741 7.696 8.310 0.212 0.000 0.679 355 S N -0.953 114.924 115.700 0.296 0.000 2.766 355 S HA 0.239 4.709 4.470 0.000 0.000 0.307 355 S C 0.913 175.580 174.600 0.111 0.000 1.121 355 S CA -1.269 57.069 58.200 0.230 0.000 0.980 355 S CB 2.740 66.177 63.200 0.394 0.000 1.159 355 S HN 0.007 8.486 8.310 0.283 0.000 0.546 356 K N 0.877 121.277 120.400 0.001 0.000 2.439 356 K HA -0.122 4.198 4.320 0.000 0.000 0.197 356 K C 1.781 178.283 176.600 -0.164 0.000 1.041 356 K CA 2.184 58.391 56.287 -0.135 0.000 0.970 356 K CB -0.201 32.127 32.500 -0.287 0.000 0.773 356 K HN 0.350 8.602 8.250 0.002 0.000 0.479 357 W N -1.047 120.287 121.300 0.057 0.000 3.109 357 W HA -0.184 4.476 4.660 0.000 0.000 0.242 357 W C 0.905 177.463 176.519 0.065 0.000 1.318 357 W CA 1.043 58.422 57.345 0.057 0.000 1.491 357 W CB -0.650 28.843 29.460 0.055 0.000 1.120 357 W HN -0.411 7.854 8.180 0.240 0.059 0.715 358 L N -0.834 120.506 121.223 0.195 0.000 2.353 358 L HA -0.467 3.873 4.340 0.000 0.000 0.220 358 L C 1.770 178.736 176.870 0.161 0.000 1.133 358 L CA 2.333 57.272 54.840 0.164 0.000 0.798 358 L CB -1.099 41.019 42.059 0.099 0.000 0.922 358 L HN -0.485 7.707 8.230 0.122 0.112 0.445 359 S N 1.143 116.925 115.700 0.136 0.000 2.383 359 S HA -0.344 4.126 4.470 0.000 0.000 0.229 359 S C 1.351 176.098 174.600 0.245 0.000 1.030 359 S CA 2.719 61.007 58.200 0.147 0.000 1.002 359 S CB -0.077 63.151 63.200 0.048 0.000 0.829 359 S HN -0.565 7.741 8.310 0.085 0.055 0.467 360 M N -4.840 114.941 119.600 0.302 0.000 2.495 360 M HA 0.187 4.667 4.480 0.000 0.000 0.237 360 M C 0.120 176.554 176.300 0.224 0.000 1.131 360 M CA 0.310 55.777 55.300 0.279 0.000 1.032 360 M CB 0.539 33.298 32.600 0.265 0.000 1.513 360 M HN -0.620 7.870 8.290 0.358 0.015 0.488 361 N N 3.460 122.301 118.700 0.235 0.000 3.091 361 N HA 0.074 4.814 4.740 0.000 0.000 0.301 361 N C -1.213 174.478 175.510 0.303 0.000 1.325 361 N CA -0.665 52.519 53.050 0.224 0.000 1.143 361 N CB -0.051 38.570 38.487 0.223 0.000 1.450 361 N HN -0.284 8.033 8.380 0.246 0.210 0.542 362 V N -3.903 116.172 119.914 0.269 0.000 3.264 362 V HA 0.420 4.540 4.120 0.000 0.000 0.304 362 V C -1.397 174.834 176.094 0.229 0.000 1.086 362 V CA -1.360 61.096 62.300 0.260 0.000 1.090 362 V CB 0.728 32.614 31.823 0.106 0.000 1.112 362 V HN -0.492 7.729 8.190 0.224 0.104 0.472 363 L N 2.259 123.575 121.223 0.155 0.000 2.362 363 L HA 0.531 4.871 4.340 0.000 0.000 0.275 363 L C -1.372 175.510 176.870 0.019 0.000 0.998 363 L CA -0.810 54.133 54.840 0.172 0.000 0.820 363 L CB 4.046 46.222 42.059 0.195 0.000 1.270 363 L HN -0.409 7.843 8.230 0.036 0.000 0.415 364 M N 4.594 124.231 119.600 0.061 0.000 2.144 364 M HA 0.356 4.836 4.480 0.000 0.000 0.356 364 M C 0.588 176.899 176.300 0.019 0.000 1.217 364 M CA -1.536 53.771 55.300 0.013 0.000 1.087 364 M CB -0.701 31.951 32.600 0.087 0.000 1.609 364 M HN 0.755 9.129 8.290 0.141 0.000 0.467 365 L N 3.231 124.438 121.223 -0.027 0.000 2.270 365 L HA -0.101 4.239 4.340 0.000 0.000 0.210 365 L C -0.479 176.396 176.870 0.009 0.000 1.104 365 L CA 2.154 56.984 54.840 -0.018 0.000 0.804 365 L CB 0.032 42.062 42.059 -0.048 0.000 0.937 365 L HN 0.821 9.010 8.230 -0.068 0.000 0.450 366 D N -4.739 115.673 120.400 0.018 0.000 2.738 366 D HA 0.049 4.689 4.640 0.000 0.000 0.308 366 D C 0.793 177.130 176.300 0.061 0.000 1.311 366 D CA -0.539 53.494 54.000 0.056 0.000 0.799 366 D CB 0.361 41.183 40.800 0.037 0.000 1.332 366 D HN -0.603 7.747 8.370 -0.006 0.016 0.441 367 E N -1.470 118.780 120.200 0.084 0.000 2.171 367 E HA -0.309 4.041 4.350 0.000 0.000 0.197 367 E C 0.903 177.488 176.600 -0.025 0.000 0.997 367 E CA 2.974 59.387 56.400 0.022 0.000 0.810 367 E CB -0.004 29.691 29.700 -0.009 0.000 0.738 367 E HN 0.263 8.689 8.360 0.111 0.000 0.467 368 K N -5.099 115.288 120.400 -0.020 0.000 2.373 368 K HA 0.225 4.545 4.320 0.000 0.000 0.202 368 K C -1.579 174.987 176.600 -0.057 0.000 1.025 368 K CA -1.175 55.092 56.287 -0.034 0.000 1.115 368 K CB 0.596 33.083 32.500 -0.022 0.000 0.858 368 K HN -0.065 8.471 8.250 -0.004 -0.289 0.525 369 R N -1.523 118.932 120.500 -0.075 0.000 2.502 369 R HA 0.559 4.899 4.340 0.000 0.000 0.300 369 R C -2.420 173.777 176.300 -0.170 0.000 0.984 369 R CA -0.594 55.439 56.100 -0.112 0.000 0.882 369 R CB 3.261 33.512 30.300 -0.082 0.000 1.180 369 R HN -0.492 7.649 8.270 -0.056 0.096 0.444 370 V N 4.803 124.552 119.914 -0.274 0.000 2.588 370 V HA 0.728 4.848 4.120 0.000 0.000 0.304 370 V C -2.337 173.527 176.094 -0.384 0.000 1.042 370 V CA -2.522 59.545 62.300 -0.388 0.000 0.877 370 V CB 4.164 35.523 31.823 -0.772 0.000 0.996 370 V HN 0.778 8.809 8.190 -0.266 0.000 0.425 371 M N 10.146 129.512 119.600 -0.390 0.000 2.105 371 M HA 0.598 5.078 4.480 0.000 0.000 0.350 371 M C -2.348 173.521 176.300 -0.719 0.000 1.308 371 M CA 0.260 55.214 55.300 -0.578 0.000 1.108 371 M CB 1.184 33.389 32.600 -0.658 0.000 1.622 371 M HN 0.450 8.552 8.290 -0.315 0.000 0.468 372 V N 5.570 125.143 119.914 -0.567 0.000 3.040 372 V HA 0.493 4.613 4.120 0.000 0.000 0.312 372 V C -2.823 173.280 176.094 0.016 0.000 1.115 372 V CA -3.247 58.932 62.300 -0.203 0.000 0.998 372 V CB 4.362 36.136 31.823 -0.082 0.000 1.042 372 V HN 0.753 8.652 8.190 -0.484 0.000 0.433 373 D N 3.277 123.891 120.400 0.357 0.000 2.425 373 D HA -0.046 4.594 4.640 0.000 0.000 0.247 373 D C 0.896 177.271 176.300 0.124 0.000 1.147 373 D CA 1.160 55.353 54.000 0.322 0.000 0.879 373 D CB 1.418 42.349 40.800 0.219 0.000 1.179 373 D HN 0.272 8.869 8.370 0.379 0.000 0.456 374 A N 8.817 131.688 122.820 0.086 0.000 1.948 374 A HA -0.286 4.034 4.320 0.000 0.000 0.220 374 A C 1.254 178.844 177.584 0.009 0.000 1.177 374 A CA 2.748 54.801 52.037 0.026 0.000 0.636 374 A CB -0.064 18.942 19.000 0.010 0.000 0.815 374 A HN 0.603 8.719 8.150 0.126 0.109 0.449 375 N N -4.355 114.344 118.700 -0.002 0.000 2.409 375 N HA -0.093 4.647 4.740 0.000 0.000 0.179 375 N C 0.149 175.648 175.510 -0.019 0.000 1.032 375 N CA 1.408 54.442 53.050 -0.026 0.000 0.898 375 N CB 0.484 38.934 38.487 -0.061 0.000 0.971 375 N HN -0.382 8.228 8.380 0.005 -0.227 0.441 376 E N 1.238 121.442 120.200 0.007 0.000 1.979 376 E HA 0.148 4.498 4.350 0.000 0.000 0.285 376 E C 0.013 176.628 176.600 0.025 0.000 1.188 376 E CA -0.841 55.565 56.400 0.009 0.000 1.214 376 E CB -1.734 27.987 29.700 0.035 0.000 1.210 376 E HN -0.550 7.685 8.360 0.029 0.143 0.477 377 V N 3.259 123.178 119.914 0.007 0.000 2.282 377 V HA -0.307 3.813 4.120 0.000 0.000 0.249 377 V C -0.548 175.556 176.094 0.017 0.000 1.057 377 V CA 6.353 68.660 62.300 0.012 0.000 1.032 377 V CB -2.746 29.076 31.823 -0.001 0.000 0.645 377 V HN -0.455 7.684 8.190 -0.007 0.047 0.447 378 P HA -0.263 4.157 4.420 0.000 0.000 0.216 378 P C 1.544 178.844 177.300 0.001 0.000 1.153 378 P CA 3.591 66.689 63.100 -0.003 0.000 0.858 378 P CB -0.427 31.264 31.700 -0.015 0.000 0.789 379 I N -3.593 116.991 120.570 0.023 0.000 2.761 379 I HA -0.395 3.775 4.170 0.000 0.000 0.261 379 I C 1.154 177.340 176.117 0.116 0.000 1.198 379 I CA 1.945 63.260 61.300 0.026 0.000 1.482 379 I CB -0.198 37.852 38.000 0.083 0.000 1.100 379 I HN -0.709 7.517 8.210 0.028 0.000 0.445 380 Q N 0.463 120.346 119.800 0.140 0.000 2.046 380 Q HA -0.405 3.935 4.340 0.000 0.000 0.200 380 Q C 2.399 178.478 176.000 0.132 0.000 0.975 380 Q CA 3.631 59.540 55.803 0.177 0.000 0.836 380 Q CB -0.233 28.559 28.738 0.089 0.000 0.896 380 Q HN -0.463 7.736 8.270 0.093 0.127 0.428 381 K N -0.746 119.689 120.400 0.057 0.000 2.063 381 K HA -0.327 3.993 4.320 0.000 0.000 0.208 381 K C 2.226 178.828 176.600 0.005 0.000 1.048 381 K CA 2.415 58.718 56.287 0.026 0.000 0.928 381 K CB -0.703 31.799 32.500 0.004 0.000 0.713 381 K HN 0.074 8.351 8.250 0.045 0.000 0.442 382 M N -0.531 119.040 119.600 -0.048 0.000 2.080 382 M HA -0.388 4.092 4.480 0.000 0.000 0.260 382 M C 2.226 178.438 176.300 -0.147 0.000 1.068 382 M CA 3.839 59.051 55.300 -0.146 0.000 1.109 382 M CB -0.064 32.368 32.600 -0.281 0.000 1.342 382 M HN -0.626 7.638 8.290 -0.043 0.000 0.405 383 F N -2.616 117.322 119.950 -0.021 0.000 2.146 383 F HA -0.390 4.137 4.527 0.000 0.000 0.298 383 F C 2.207 177.988 175.800 -0.032 0.000 1.096 383 F CA 3.727 61.709 58.000 -0.031 0.000 1.275 383 F CB -0.644 38.337 39.000 -0.032 0.000 1.008 383 F HN -0.581 7.724 8.300 0.009 0.000 0.480 384 E N -0.434 119.862 120.200 0.161 0.000 2.077 384 E HA -0.382 3.968 4.350 0.000 0.000 0.193 384 E C 2.909 179.533 176.600 0.040 0.000 0.989 384 E CA 3.307 59.754 56.400 0.078 0.000 0.800 384 E CB -0.440 29.292 29.700 0.054 0.000 0.746 384 E HN -0.103 8.359 8.360 0.170 0.000 0.452 385 K N -0.497 119.915 120.400 0.019 0.000 2.362 385 K HA -0.212 4.108 4.320 0.000 0.000 0.200 385 K C 1.240 177.838 176.600 -0.004 0.000 1.046 385 K CA 2.415 58.701 56.287 -0.001 0.000 0.952 385 K CB -0.137 32.353 32.500 -0.017 0.000 0.753 385 K HN -0.166 8.094 8.250 0.017 0.000 0.466 386 L N -3.072 118.155 121.223 0.008 0.000 2.592 386 L HA 0.068 4.408 4.340 0.000 0.000 0.227 386 L C -0.132 176.749 176.870 0.018 0.000 1.127 386 L CA -0.344 54.499 54.840 0.005 0.000 0.884 386 L CB 0.082 42.145 42.059 0.007 0.000 1.065 386 L HN -0.842 7.238 8.230 0.025 0.165 0.457 387 G N -1.716 107.098 108.800 0.024 0.000 2.147 387 G HA2 -0.405 3.555 3.960 0.000 0.000 0.244 387 G HA3 -0.405 3.555 3.960 0.000 0.000 0.244 387 G C -0.461 174.451 174.900 0.019 0.000 1.005 387 G CA 0.402 45.511 45.100 0.015 0.000 0.713 387 G HN -0.232 7.873 8.290 0.028 0.202 0.515 388 I N 0.321 120.921 120.570 0.050 0.000 2.339 388 I HA -0.026 4.144 4.170 0.000 0.000 0.290 388 I C -0.603 175.513 176.117 -0.002 0.000 0.994 388 I CA -0.707 60.610 61.300 0.028 0.000 1.191 388 I CB 0.846 38.896 38.000 0.084 0.000 1.343 388 I HN -0.300 7.929 8.210 0.083 0.031 0.458 389 T N 9.956 124.486 114.554 -0.040 0.000 2.853 389 T HA 0.060 4.410 4.350 0.000 0.000 0.298 389 T C -0.213 174.426 174.700 -0.102 0.000 0.978 389 T CA 0.905 62.973 62.100 -0.053 0.000 1.152 389 T CB 0.272 69.108 68.868 -0.053 0.000 0.914 389 T HN 0.521 8.736 8.240 -0.041 0.000 0.539 390 T N 3.013 117.517 114.554 -0.084 0.000 2.744 390 T HA 0.602 4.952 4.350 0.000 0.000 0.291 390 T C -0.301 174.324 174.700 -0.124 0.000 0.957 390 T CA -2.018 60.008 62.100 -0.124 0.000 1.002 390 T CB 0.193 69.026 68.868 -0.058 0.000 0.919 390 T HN 0.160 8.372 8.240 -0.047 0.000 0.468 391 I N 7.043 127.506 120.570 -0.178 0.000 2.307 391 I HA 0.215 4.385 4.170 0.000 0.000 0.287 391 I C -0.969 175.027 176.117 -0.201 0.000 1.054 391 I CA -0.650 60.549 61.300 -0.168 0.000 1.218 391 I CB 0.690 38.579 38.000 -0.185 0.000 1.398 391 I HN 1.020 9.090 8.210 -0.232 0.000 0.475 392 K N 7.230 127.553 120.400 -0.129 0.000 2.276 392 K HA 0.340 4.660 4.320 0.000 0.000 0.285 392 K C -1.252 175.305 176.600 -0.073 0.000 1.062 392 K CA 0.010 56.239 56.287 -0.096 0.000 0.918 392 K CB 0.353 32.825 32.500 -0.046 0.000 1.055 392 K HN 0.201 8.393 8.250 -0.098 0.000 0.477 393 V N 3.889 123.783 119.914 -0.034 0.000 2.789 393 V HA 0.209 4.329 4.120 0.000 0.000 0.311 393 V C -1.569 174.622 176.094 0.162 0.000 1.073 393 V CA -1.680 60.653 62.300 0.055 0.000 0.921 393 V CB 4.222 36.093 31.823 0.079 0.000 1.009 393 V HN 0.462 8.634 8.190 -0.031 0.000 0.426 394 N N 5.394 124.133 118.700 0.065 0.000 2.426 394 N HA 0.358 5.098 4.740 0.000 0.000 0.257 394 N C -0.364 175.117 175.510 -0.048 0.000 1.002 394 N CA -0.079 52.978 53.050 0.013 0.000 0.942 394 N CB 0.485 38.952 38.487 -0.033 0.000 1.112 394 N HN 0.283 8.679 8.380 0.027 0.000 0.499 395 I N -0.261 120.242 120.570 -0.111 0.000 3.426 395 I HA 0.425 4.595 4.170 0.000 0.000 0.329 395 I C 0.055 176.040 176.117 -0.219 0.000 1.553 395 I CA -1.953 59.198 61.300 -0.249 0.000 1.019 395 I CB 0.370 38.075 38.000 -0.491 0.000 1.376 395 I HN -0.252 8.128 8.210 -0.078 -0.217 0.525 396 R N 3.503 123.897 120.500 -0.177 0.000 2.096 396 R HA -0.433 3.907 4.340 0.000 0.000 0.240 396 R C 1.172 177.416 176.300 -0.093 0.000 1.139 396 R CA 3.673 59.641 56.100 -0.220 0.000 0.952 396 R CB -0.493 29.639 30.300 -0.280 0.000 0.854 396 R HN 0.019 8.402 8.270 -0.155 -0.205 0.436 397 N N -1.542 117.133 118.700 -0.042 0.000 2.300 397 N HA -0.160 4.580 4.740 0.000 0.000 0.179 397 N C 2.243 177.856 175.510 0.172 0.000 1.016 397 N CA 2.601 55.709 53.050 0.096 0.000 0.876 397 N CB 0.209 38.592 38.487 -0.173 0.000 0.979 397 N HN -0.495 8.202 8.380 -0.112 -0.384 0.432 398 A N 1.083 123.892 122.820 -0.018 0.000 1.969 398 A HA -0.223 4.097 4.320 0.000 0.000 0.218 398 A C 1.834 179.537 177.584 0.199 0.000 1.169 398 A CA 2.822 54.842 52.037 -0.028 0.000 0.635 398 A CB -0.671 17.963 19.000 -0.610 0.000 0.810 398 A HN 0.205 8.541 8.150 -0.128 -0.263 0.445 399 N N -1.395 117.360 118.700 0.092 0.000 2.192 399 N HA -0.355 4.385 4.740 0.000 0.000 0.188 399 N C 2.442 178.034 175.510 0.137 0.000 1.013 399 N CA 2.763 55.889 53.050 0.128 0.000 0.863 399 N CB -0.175 38.344 38.487 0.055 0.000 0.990 399 N HN 0.240 8.599 8.380 -0.010 0.015 0.430 400 S N 1.233 116.999 115.700 0.112 0.000 2.419 400 S HA -0.263 4.207 4.470 0.000 0.000 0.233 400 S C 0.851 175.467 174.600 0.026 0.000 1.016 400 S CA 3.397 61.503 58.200 -0.156 0.000 0.974 400 S CB -0.185 62.698 63.200 -0.527 0.000 0.786 400 S HN -0.518 7.774 8.310 0.206 0.141 0.492 401 L N -2.566 118.741 121.223 0.140 0.000 2.552 401 L HA -0.199 4.141 4.340 0.000 0.000 0.227 401 L C 0.152 177.121 176.870 0.165 0.000 1.146 401 L CA 0.965 55.867 54.840 0.104 0.000 0.858 401 L CB -0.114 41.977 42.059 0.052 0.000 0.969 401 L HN -0.299 7.913 8.230 0.209 0.144 0.451 402 G N -4.783 104.114 108.800 0.162 0.000 2.159 402 G HA2 -0.242 3.718 3.960 0.000 0.000 0.170 402 G HA3 -0.242 3.718 3.960 0.000 0.000 0.170 402 G C -0.944 174.036 174.900 0.133 0.000 1.007 402 G CA -0.456 44.743 45.100 0.165 0.000 0.672 402 G HN -0.089 8.109 8.290 0.161 0.188 0.507 403 G N -1.526 107.372 108.800 0.162 0.000 2.692 403 G HA2 0.305 4.265 3.960 0.000 0.000 0.291 403 G HA3 0.305 4.265 3.960 0.000 0.000 0.291 403 G C -1.774 173.307 174.900 0.301 0.000 1.423 403 G CA -0.549 44.654 45.100 0.171 0.000 0.843 403 G HN -0.959 7.483 8.290 0.253 0.000 0.486 404 G N -1.222 107.701 108.800 0.204 0.000 2.890 404 G HA2 0.688 4.648 3.960 0.000 0.000 0.189 404 G HA3 0.688 4.648 3.960 0.000 0.000 0.189 404 G C -0.077 174.829 174.900 0.010 0.000 1.342 404 G CA -1.629 43.465 45.100 -0.009 0.000 1.026 404 G HN -0.310 8.281 8.290 0.195 -0.183 0.579 405 F N -0.038 120.041 119.950 0.215 0.000 2.146 405 F HA -0.244 4.283 4.527 0.000 0.000 0.298 405 F C 1.637 177.572 175.800 0.226 0.000 1.096 405 F CA 3.891 62.005 58.000 0.189 0.000 1.275 405 F CB 0.061 39.124 39.000 0.105 0.000 1.008 405 F HN -0.402 7.838 8.300 -0.101 0.000 0.480 406 H N -1.467 117.773 119.070 0.284 0.000 2.389 406 H HA -0.271 4.285 4.556 0.000 0.000 0.299 406 H C 2.291 177.698 175.328 0.132 0.000 1.081 406 H CA 4.322 60.483 56.048 0.189 0.000 1.345 406 H CB 1.123 30.981 29.762 0.160 0.000 1.393 406 H HN -0.262 8.375 8.280 0.476 -0.072 0.520 407 C N -0.885 118.514 119.300 0.166 0.000 2.440 407 C HA -0.256 4.204 4.460 0.000 0.000 0.278 407 C C 1.933 176.872 174.990 -0.085 0.000 1.295 407 C CA 4.447 63.464 59.018 -0.002 0.000 1.738 407 C CB -1.342 26.393 27.740 -0.007 0.000 1.987 407 C HN -0.354 8.285 8.230 0.256 -0.255 0.492 408 W N -2.150 119.124 121.300 -0.043 0.000 2.961 408 W HA -0.175 4.485 4.660 0.000 0.000 0.240 408 W C -1.070 175.441 176.519 -0.014 0.000 1.305 408 W CA 1.892 59.209 57.345 -0.047 0.000 1.465 408 W CB -0.351 29.074 29.460 -0.059 0.000 1.135 408 W HN -0.202 8.182 8.180 0.339 0.000 0.688 409 T N -8.185 106.448 114.554 0.131 0.000 2.864 409 T HA 0.598 4.948 4.350 0.000 0.000 0.289 409 T C -2.710 171.966 174.700 -0.041 0.000 1.082 409 T CA -2.426 59.720 62.100 0.077 0.000 1.009 409 T CB 3.447 72.371 68.868 0.093 0.000 1.234 409 T HN -0.686 7.517 8.240 0.076 0.083 0.526 410 C N 2.400 121.686 119.300 -0.023 0.000 2.620 410 C HA 0.411 4.871 4.460 0.000 0.000 0.356 410 C C -2.090 172.877 174.990 -0.039 0.000 1.082 410 C CA -1.288 57.687 59.018 -0.071 0.000 1.293 410 C CB 1.815 29.508 27.740 -0.078 0.000 1.836 410 C HN 0.387 8.634 8.230 0.028 0.000 0.453 411 D N 7.903 128.267 120.400 -0.061 0.000 2.371 411 D HA -0.007 4.633 4.640 0.000 0.000 0.256 411 D C -0.180 176.072 176.300 -0.080 0.000 1.193 411 D CA 0.301 54.271 54.000 -0.050 0.000 0.881 411 D CB 0.025 40.796 40.800 -0.047 0.000 1.143 411 D HN -0.080 8.236 8.370 -0.090 0.000 0.473 412 V N 2.766 122.630 119.914 -0.084 0.000 2.672 412 V HA 0.031 4.151 4.120 0.000 0.000 0.242 412 V C -0.794 175.182 176.094 -0.196 0.000 1.059 412 V CA 1.818 64.022 62.300 -0.160 0.000 1.081 412 V CB 1.203 32.921 31.823 -0.175 0.000 0.752 412 V HN 0.315 8.474 8.190 -0.053 0.000 0.472 413 R N -1.798 118.618 120.500 -0.140 0.000 2.515 413 R HA 0.457 4.797 4.340 0.000 0.000 0.291 413 R C -2.550 173.701 176.300 -0.082 0.000 1.046 413 R CA -0.481 55.542 56.100 -0.129 0.000 0.914 413 R CB 2.981 33.209 30.300 -0.119 0.000 1.191 413 R HN -0.559 7.651 8.270 -0.100 0.000 0.435 414 R N 5.001 125.452 120.500 -0.082 0.000 2.561 414 R HA 0.537 4.877 4.340 0.000 0.000 0.297 414 R C -1.642 174.649 176.300 -0.016 0.000 0.969 414 R CA -1.557 54.514 56.100 -0.049 0.000 0.879 414 R CB 3.221 33.477 30.300 -0.073 0.000 1.178 414 R HN 0.604 8.808 8.270 -0.110 0.000 0.445 415 R N 4.583 125.088 120.500 0.008 0.000 2.343 415 R HA -0.123 4.217 4.340 0.000 0.000 0.326 415 R C -0.989 175.350 176.300 0.065 0.000 1.055 415 R CA 0.958 57.078 56.100 0.034 0.000 0.961 415 R CB -0.102 30.216 30.300 0.031 0.000 0.978 415 R HN 0.685 8.854 8.270 0.005 0.104 0.443 416 G N 3.934 112.796 108.800 0.103 0.000 2.320 416 G HA2 -0.053 3.907 3.960 0.000 0.000 0.296 416 G HA3 -0.053 3.907 3.960 0.000 0.000 0.296 416 G C -2.552 172.466 174.900 0.197 0.000 1.306 416 G CA 0.448 45.631 45.100 0.138 0.000 0.836 416 G HN -0.306 8.049 8.290 0.108 0.000 0.517 417 T N -3.312 111.312 114.554 0.117 0.000 2.940 417 T HA 0.263 4.613 4.350 0.000 0.000 0.288 417 T C -0.727 173.752 174.700 -0.368 0.000 1.045 417 T CA -1.829 60.234 62.100 -0.061 0.000 1.018 417 T CB 2.523 71.355 68.868 -0.061 0.000 1.151 417 T HN 0.055 8.363 8.240 0.113 0.000 0.529 418 L N 1.979 122.707 121.223 -0.826 0.000 2.361 418 L HA 0.117 4.457 4.340 0.000 0.000 0.278 418 L C -0.894 175.756 176.870 -0.365 0.000 1.113 418 L CA 0.125 54.457 54.840 -0.847 0.000 0.849 418 L CB 0.174 41.706 42.059 -0.879 0.000 1.155 418 L HN 0.160 7.959 8.230 -0.718 0.000 0.452 419 Q N 4.508 124.150 119.800 -0.263 0.000 2.605 419 Q HA 0.290 4.630 4.340 0.000 0.000 0.296 419 Q C -2.182 173.535 176.000 -0.473 0.000 1.056 419 Q CA -1.592 53.998 55.803 -0.356 0.000 0.778 419 Q CB 4.106 32.597 28.738 -0.411 0.000 1.497 419 Q HN 0.045 8.219 8.270 -0.159 0.000 0.443 420 S N -1.066 114.351 115.700 -0.471 0.000 2.472 420 S HA 0.358 4.828 4.470 0.000 0.000 0.303 420 S C -0.855 173.511 174.600 -0.389 0.000 1.099 420 S CA -1.380 56.653 58.200 -0.278 0.000 1.077 420 S CB 0.538 63.686 63.200 -0.086 0.000 1.031 420 S HN 0.179 8.256 8.310 -0.388 0.000 0.487 421 Y N 4.113 124.627 120.300 0.356 0.000 2.527 421 Y HA 0.182 4.732 4.550 -0.000 0.000 0.247 421 Y C -0.690 175.584 175.900 0.624 0.000 1.138 421 Y CA -0.445 57.905 58.100 0.417 0.000 1.228 421 Y CB 0.962 39.673 38.460 0.418 0.000 1.252 421 Y HN 0.934 9.418 8.280 0.340 0.000 0.531 422 L N -0.205 121.348 121.223 0.551 0.000 2.928 422 L HA 0.085 4.425 4.340 0.000 0.000 0.246 422 L C -0.868 176.125 176.870 0.205 0.000 1.239 422 L CA -0.780 54.286 54.840 0.377 0.000 1.035 422 L CB -0.539 41.658 42.059 0.231 0.000 1.360 422 L HN -0.460 7.954 8.230 0.399 0.056 0.529 423 D N 0.000 120.527 120.400 0.212 0.000 6.856 423 D HA 0.000 4.640 4.640 0.000 0.000 0.175 423 D CA 0.000 54.072 54.000 0.120 0.000 0.868 423 D CB 0.000 40.855 40.800 0.092 0.000 0.688 423 D HN 0.000 8.429 8.370 0.282 0.111 0.683