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 3gnq_1_D DATA FIRST_RESID 1 DATA SEQUENCE TIRVAINGYG RIGRNTLRAF YENGKKHDLE IVAINDLGDA KTNAHLTQYD DATA SEQUENCE TAHGKFPGEV SVDGDYLVVN GDRIRVLANR NPAELPWGEL GVDVVMECTG DATA SEQUENCE FFTSKEKASA HLKGGAKKVI ISAPGGKDVD ATIVYGVNHD VLKAEHTVIS DATA SEQUENCE NASCTTNCLA PLVKPLNDKI GLETGLMTTI HAYTNDQVLT DVYHEDLRRA DATA SEQUENCE RSATHSQIPT KTGAAAAVGL VLPELNGKLD GYAIRVPTIN VSIVDLSFIA DATA SEQUENCE KRDTTAAEVN AIMKEASEGA LKGILGYNEA PLVSIDFNHN PASSTFDATL DATA SEQUENCE TKVSGRLVKV SSWYDNEWGF SNRMLDTAIA LANAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1 T C 0.000 174.689 174.700 -0.018 0.000 1.109 1 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 1 T CB 0.000 68.874 68.868 0.010 0.000 0.612 2 I N 3.387 123.933 120.570 -0.040 0.000 2.371 2 I HA 0.392 4.904 4.170 0.570 0.000 0.290 2 I C 0.811 176.877 176.117 -0.086 0.000 1.028 2 I CA -0.088 61.174 61.300 -0.063 0.000 1.345 2 I CB 0.734 38.684 38.000 -0.083 0.000 1.407 2 I HN 0.342 8.552 8.210 -0.000 0.000 0.501 3 R N 5.131 125.588 120.500 -0.071 0.000 2.221 3 R HA 0.662 5.343 4.340 0.570 0.000 0.327 3 R C -1.083 175.149 176.300 -0.113 0.000 1.033 3 R CA -0.548 55.510 56.100 -0.071 0.000 0.887 3 R CB 1.154 31.440 30.300 -0.024 0.000 1.057 3 R HN 0.367 8.637 8.270 -0.000 0.000 0.455 4 V N 1.604 121.428 119.914 -0.150 0.000 2.823 4 V HA 0.795 5.257 4.120 0.570 0.000 0.312 4 V C -0.217 175.765 176.094 -0.187 0.000 1.072 4 V CA -0.862 61.312 62.300 -0.210 0.000 0.937 4 V CB 1.903 33.561 31.823 -0.275 0.000 1.013 4 V HN 0.936 9.126 8.190 -0.000 0.000 0.430 5 A N 3.434 126.096 122.820 -0.264 0.000 2.437 5 A HA 1.007 5.668 4.320 0.570 0.000 0.288 5 A C -1.184 176.256 177.584 -0.240 0.000 1.201 5 A CA -0.731 51.173 52.037 -0.222 0.000 0.795 5 A CB 1.609 20.412 19.000 -0.329 0.000 1.359 5 A HN 0.709 8.859 8.150 -0.000 0.000 0.435 6 I N 0.615 121.117 120.570 -0.114 0.000 2.619 6 I HA 0.348 4.859 4.170 0.570 0.000 0.292 6 I C -1.042 175.102 176.117 0.045 0.000 1.100 6 I CA -0.706 60.563 61.300 -0.052 0.000 1.043 6 I CB 2.429 40.468 38.000 0.065 0.000 1.239 6 I HN 0.640 8.850 8.210 -0.000 0.000 0.420 7 N N 3.640 122.365 118.700 0.042 0.000 2.284 7 N HA 0.683 5.765 4.740 0.570 0.000 0.300 7 N C -0.473 175.130 175.510 0.155 0.000 1.047 7 N CA 0.221 53.359 53.050 0.147 0.000 0.821 7 N CB 2.128 40.736 38.487 0.202 0.000 1.337 7 N HN 0.907 9.287 8.380 -0.000 0.000 0.482 8 G N 2.497 111.408 108.800 0.186 0.000 3.285 8 G HA2 -0.227 4.075 3.960 0.570 0.000 0.685 8 G HA3 -0.227 4.075 3.960 0.570 0.000 0.685 8 G C -1.091 173.963 174.900 0.256 0.000 0.938 8 G CA -0.270 44.957 45.100 0.211 0.000 0.778 8 G HN 0.707 8.997 8.290 -0.000 0.000 0.515 9 Y N 3.194 123.554 120.300 0.100 0.000 2.516 9 Y HA 0.507 5.401 4.550 0.574 0.000 0.341 9 Y C 1.236 177.196 175.900 0.101 0.000 0.912 9 Y CA 0.052 58.204 58.100 0.087 0.000 1.167 9 Y CB -0.038 38.466 38.460 0.074 0.000 1.195 9 Y HN 0.894 9.174 8.280 -0.000 0.000 0.610 10 G N 0.691 109.507 108.800 0.027 0.000 2.630 10 G HA2 0.146 4.447 3.960 0.570 0.000 0.223 10 G HA3 0.146 4.447 3.960 0.570 0.000 0.223 10 G C 0.731 175.605 174.900 -0.043 0.000 1.434 10 G CA -0.565 44.547 45.100 0.020 0.000 1.057 10 G HN 0.379 8.669 8.290 -0.000 0.000 0.570 11 R N -0.896 119.627 120.500 0.038 0.000 2.080 11 R HA -0.073 4.609 4.340 0.570 0.000 0.236 11 R C 2.525 178.863 176.300 0.062 0.000 1.137 11 R CA 1.378 57.517 56.100 0.066 0.000 0.943 11 R CB -0.645 29.729 30.300 0.123 0.000 0.846 11 R HN 0.456 8.726 8.270 -0.000 0.000 0.431 12 I N 0.303 120.925 120.570 0.086 0.000 2.142 12 I HA -0.209 4.303 4.170 0.570 0.000 0.240 12 I C 2.628 178.765 176.117 0.033 0.000 1.078 12 I CA 1.507 62.869 61.300 0.103 0.000 1.343 12 I CB -1.093 37.005 38.000 0.162 0.000 1.046 12 I HN 0.328 8.538 8.210 -0.000 0.000 0.405 13 G N 1.223 110.028 108.800 0.009 0.000 2.721 13 G HA2 -0.299 4.002 3.960 0.570 0.000 0.218 13 G HA3 -0.299 4.002 3.960 0.570 0.000 0.218 13 G C 1.726 176.522 174.900 -0.173 0.000 1.265 13 G CA 0.904 45.991 45.100 -0.021 0.000 0.796 13 G HN 0.313 8.603 8.290 -0.000 0.000 0.620 14 R N 0.089 120.268 120.500 -0.535 0.000 2.105 14 R HA -0.064 4.618 4.340 0.570 0.000 0.239 14 R C 2.313 178.540 176.300 -0.122 0.000 1.135 14 R CA 1.288 57.037 56.100 -0.586 0.000 0.967 14 R CB -0.357 29.596 30.300 -0.579 0.000 0.861 14 R HN 0.301 8.571 8.270 -0.000 0.000 0.442 15 N N -0.214 118.468 118.700 -0.031 0.000 2.409 15 N HA -0.054 5.028 4.740 0.570 0.000 0.179 15 N C 1.490 176.979 175.510 -0.035 0.000 1.032 15 N CA 1.139 54.242 53.050 0.089 0.000 0.898 15 N CB -0.096 38.477 38.487 0.145 0.000 0.971 15 N HN 0.178 8.558 8.380 -0.000 0.000 0.441 16 T N 1.912 116.427 114.554 -0.064 0.000 2.737 16 T HA -0.043 4.648 4.350 0.570 0.000 0.265 16 T C 2.062 176.747 174.700 -0.025 0.000 1.038 16 T CA 0.457 62.487 62.100 -0.117 0.000 1.144 16 T CB -0.243 68.562 68.868 -0.105 0.000 0.866 16 T HN 0.160 8.400 8.240 -0.000 0.000 0.434 17 L N 0.756 122.031 121.223 0.088 0.000 1.989 17 L HA -0.145 4.537 4.340 0.570 0.000 0.211 17 L C 2.797 179.847 176.870 0.301 0.000 1.071 17 L CA 1.614 56.590 54.840 0.227 0.000 0.749 17 L CB -0.209 42.058 42.059 0.345 0.000 0.890 17 L HN 0.107 8.337 8.230 -0.000 0.000 0.431 18 R N -0.306 120.327 120.500 0.222 0.000 2.103 18 R HA -0.213 4.469 4.340 0.570 0.000 0.242 18 R C 2.335 178.894 176.300 0.432 0.000 1.142 18 R CA 1.437 57.743 56.100 0.343 0.000 0.960 18 R CB -0.691 29.836 30.300 0.379 0.000 0.858 18 R HN 0.602 8.872 8.270 -0.000 0.000 0.439 19 A N 1.185 124.079 122.820 0.122 0.000 1.884 19 A HA -0.262 4.399 4.320 0.570 0.000 0.219 19 A C 1.971 179.589 177.584 0.056 0.000 1.197 19 A CA 1.720 53.627 52.037 -0.215 0.000 0.637 19 A CB -0.852 17.774 19.000 -0.623 0.000 0.827 19 A HN 0.417 8.567 8.150 -0.000 0.000 0.450 20 F N -0.509 119.386 119.950 -0.093 0.000 2.069 20 F HA -0.219 4.649 4.527 0.568 0.000 0.298 20 F C 2.171 177.943 175.800 -0.046 0.000 1.113 20 F CA 1.755 59.678 58.000 -0.129 0.000 1.214 20 F CB -0.972 37.859 39.000 -0.282 0.000 0.978 20 F HN 0.332 8.632 8.300 -0.000 0.000 0.474 21 Y N 0.636 120.852 120.300 -0.140 0.000 2.224 21 Y HA -0.182 4.709 4.550 0.568 0.000 0.289 21 Y C 2.535 178.446 175.900 0.018 0.000 1.146 21 Y CA 1.753 59.771 58.100 -0.137 0.000 1.182 21 Y CB -0.551 38.036 38.460 0.213 0.000 0.983 21 Y HN 0.200 8.480 8.280 -0.000 0.000 0.524 22 E N -0.355 120.043 120.200 0.330 0.000 2.208 22 E HA -0.192 4.499 4.350 0.570 0.000 0.193 22 E C 1.718 178.418 176.600 0.167 0.000 0.988 22 E CA 0.829 57.399 56.400 0.283 0.000 0.828 22 E CB -0.185 29.797 29.700 0.470 0.000 0.763 22 E HN 0.380 8.740 8.360 -0.000 0.000 0.478 23 N N 0.008 118.778 118.700 0.117 0.000 2.244 23 N HA -0.110 4.972 4.740 0.570 0.000 0.183 23 N C 0.968 176.479 175.510 0.001 0.000 1.016 23 N CA 1.587 54.678 53.050 0.069 0.000 0.866 23 N CB 0.312 38.855 38.487 0.094 0.000 0.980 23 N HN 0.210 8.590 8.380 -0.000 0.000 0.430 24 G N -0.163 108.603 108.800 -0.058 0.000 2.145 24 G HA2 -0.186 4.116 3.960 0.570 0.000 0.145 24 G HA3 -0.186 4.116 3.960 0.570 0.000 0.145 24 G C -0.141 174.665 174.900 -0.158 0.000 1.017 24 G CA -0.045 45.008 45.100 -0.078 0.000 0.682 24 G HN 0.313 8.603 8.290 -0.000 0.000 0.504 25 K N -1.075 119.098 120.400 -0.379 0.000 3.016 25 K HA -0.260 4.402 4.320 0.570 0.000 0.262 25 K C 1.390 177.997 176.600 0.012 0.000 1.043 25 K CA 1.494 57.499 56.287 -0.471 0.000 0.761 25 K CB -0.987 31.246 32.500 -0.446 0.000 1.230 25 K HN 0.593 8.843 8.250 -0.000 0.000 0.485 26 K N 0.305 120.699 120.400 -0.011 0.000 2.486 26 K HA -0.027 4.634 4.320 0.570 0.000 0.194 26 K C 0.277 176.830 176.600 -0.078 0.000 1.033 26 K CA 0.467 56.723 56.287 -0.051 0.000 1.004 26 K CB -0.049 32.381 32.500 -0.117 0.000 0.798 26 K HN 0.374 8.624 8.250 -0.000 0.000 0.495 27 H N 0.739 119.877 119.070 0.113 0.000 2.803 27 H HA -0.003 4.895 4.556 0.569 0.000 0.330 27 H C -0.370 174.998 175.328 0.067 0.000 1.057 27 H CA -0.217 55.869 56.048 0.064 0.000 1.458 27 H CB 0.698 30.480 29.762 0.032 0.000 1.470 27 H HN -0.043 8.237 8.280 -0.000 0.000 0.560 28 D N 4.036 124.497 120.400 0.102 0.000 2.540 28 D HA 0.159 5.140 4.640 0.570 0.000 0.237 28 D C -0.886 175.418 176.300 0.008 0.000 1.181 28 D CA 0.217 54.248 54.000 0.052 0.000 1.119 28 D CB -0.462 40.353 40.800 0.025 0.000 1.119 28 D HN 0.365 8.735 8.370 -0.000 0.000 0.498 29 L N 0.149 121.369 121.223 -0.005 0.000 2.775 29 L HA 0.757 5.438 4.340 0.570 0.000 0.263 29 L C -1.793 174.965 176.870 -0.187 0.000 1.017 29 L CA -0.418 54.320 54.840 -0.170 0.000 0.891 29 L CB 1.677 43.518 42.059 -0.363 0.000 1.482 29 L HN 0.063 8.293 8.230 -0.000 0.000 0.410 30 E N 3.206 123.261 120.200 -0.242 0.000 2.294 30 E HA 0.491 5.183 4.350 0.570 0.000 0.272 30 E C -1.342 175.145 176.600 -0.188 0.000 0.896 30 E CA -0.437 55.876 56.400 -0.144 0.000 0.802 30 E CB 1.772 31.479 29.700 0.013 0.000 1.267 30 E HN 0.656 9.016 8.360 -0.000 0.000 0.406 31 I N 3.048 123.492 120.570 -0.209 0.000 2.406 31 I HA 0.164 4.675 4.170 0.570 0.000 0.293 31 I C 1.326 177.456 176.117 0.021 0.000 1.101 31 I CA -0.122 61.101 61.300 -0.128 0.000 1.334 31 I CB 1.163 39.113 38.000 -0.084 0.000 1.421 31 I HN 0.624 8.834 8.210 -0.000 0.000 0.513 32 V N 3.178 123.100 119.914 0.014 0.000 3.427 32 V HA 0.695 5.156 4.120 0.570 0.000 0.305 32 V C 0.460 176.609 176.094 0.091 0.000 1.412 32 V CA 0.104 62.448 62.300 0.073 0.000 1.086 32 V CB -0.082 31.785 31.823 0.073 0.000 0.964 32 V HN 0.704 8.894 8.190 -0.000 0.000 0.439 33 A N 0.124 122.990 122.820 0.078 0.000 2.594 33 A HA 0.839 5.501 4.320 0.570 0.000 0.296 33 A C -1.432 176.194 177.584 0.070 0.000 1.056 33 A CA -0.418 51.684 52.037 0.108 0.000 0.693 33 A CB 1.474 20.658 19.000 0.307 0.000 1.278 33 A HN 0.321 8.471 8.150 -0.000 0.000 0.408 34 I N 1.651 122.231 120.570 0.016 0.000 2.586 34 I HA 0.349 4.861 4.170 0.570 0.000 0.288 34 I C -0.111 175.991 176.117 -0.024 0.000 1.147 34 I CA -0.134 61.134 61.300 -0.052 0.000 1.047 34 I CB 2.262 40.077 38.000 -0.309 0.000 1.244 34 I HN 0.844 9.054 8.210 -0.000 0.000 0.429 35 N N 3.806 122.547 118.700 0.067 0.000 2.480 35 N HA 0.122 5.204 4.740 0.570 0.000 0.281 35 N C -0.154 175.403 175.510 0.078 0.000 1.381 35 N CA -0.294 52.801 53.050 0.075 0.000 0.903 35 N CB 0.530 39.119 38.487 0.170 0.000 1.274 35 N HN 0.594 8.974 8.380 -0.000 0.000 0.505 36 D N 0.111 120.562 120.400 0.086 0.000 2.273 36 D HA 0.055 5.037 4.640 0.570 0.000 0.247 36 D C 1.147 177.482 176.300 0.058 0.000 1.313 36 D CA 0.275 54.343 54.000 0.113 0.000 0.974 36 D CB 0.925 41.826 40.800 0.169 0.000 1.157 36 D HN 0.127 8.497 8.370 -0.000 0.000 0.533 37 L N -0.724 120.534 121.223 0.059 0.000 2.717 37 L HA 0.344 5.025 4.340 0.570 0.000 0.239 37 L C 1.114 178.004 176.870 0.032 0.000 1.086 37 L CA 0.028 54.885 54.840 0.028 0.000 0.897 37 L CB 0.326 42.394 42.059 0.014 0.000 1.214 37 L HN 0.371 8.601 8.230 -0.000 0.000 0.508 38 G N 0.754 109.588 108.800 0.056 0.000 2.554 38 G HA2 0.073 4.375 3.960 0.570 0.000 0.238 38 G HA3 0.073 4.375 3.960 0.570 0.000 0.238 38 G C -0.401 174.529 174.900 0.050 0.000 1.259 38 G CA -0.341 44.793 45.100 0.057 0.000 0.843 38 G HN 0.261 8.551 8.290 -0.000 0.000 0.582 39 D N 0.189 120.614 120.400 0.042 0.000 2.363 39 D HA 0.235 5.217 4.640 0.570 0.000 0.240 39 D C 1.254 177.580 176.300 0.044 0.000 1.236 39 D CA 0.115 54.134 54.000 0.032 0.000 0.927 39 D CB 1.209 42.025 40.800 0.026 0.000 1.150 39 D HN 0.322 8.692 8.370 -0.000 0.000 0.458 40 A N 0.594 123.434 122.820 0.032 0.000 1.970 40 A HA 0.067 4.729 4.320 0.570 0.000 0.216 40 A C 2.319 179.940 177.584 0.062 0.000 1.170 40 A CA 2.160 54.218 52.037 0.034 0.000 0.645 40 A CB -1.031 17.979 19.000 0.018 0.000 0.816 40 A HN 0.762 8.912 8.150 -0.000 0.000 0.447 41 K N -0.706 119.731 120.400 0.062 0.000 2.044 41 K HA -0.179 4.482 4.320 0.570 0.000 0.210 41 K C 2.092 178.760 176.600 0.113 0.000 1.049 41 K CA 2.531 58.864 56.287 0.077 0.000 0.927 41 K CB -1.899 30.633 32.500 0.052 0.000 0.713 41 K HN 0.448 8.698 8.250 -0.000 0.000 0.443 42 T N 0.912 115.528 114.554 0.102 0.000 2.746 42 T HA -0.114 4.578 4.350 0.570 0.000 0.267 42 T C 1.840 176.658 174.700 0.195 0.000 1.039 42 T CA 1.216 63.396 62.100 0.134 0.000 1.142 42 T CB -0.257 68.672 68.868 0.102 0.000 0.866 42 T HN 0.528 8.768 8.240 -0.000 0.000 0.444 43 N N 1.091 119.899 118.700 0.180 0.000 2.331 43 N HA 0.090 5.172 4.740 0.570 0.000 0.180 43 N C 2.042 177.699 175.510 0.245 0.000 1.019 43 N CA 0.962 54.162 53.050 0.250 0.000 0.881 43 N CB -0.345 38.282 38.487 0.233 0.000 0.972 43 N HN 0.394 8.774 8.380 -0.000 0.000 0.435 44 A N 0.481 123.406 122.820 0.175 0.000 1.873 44 A HA -0.189 4.473 4.320 0.570 0.000 0.215 44 A C 2.067 179.752 177.584 0.168 0.000 1.186 44 A CA 1.643 53.764 52.037 0.140 0.000 0.616 44 A CB -0.961 18.107 19.000 0.114 0.000 0.823 44 A HN 0.401 8.551 8.150 -0.000 0.000 0.442 45 H N -0.227 118.926 119.070 0.139 0.000 2.387 45 H HA 0.015 4.911 4.556 0.567 0.000 0.299 45 H C 1.607 177.067 175.328 0.220 0.000 1.099 45 H CA 1.883 58.054 56.048 0.205 0.000 1.315 45 H CB -0.171 29.706 29.762 0.191 0.000 1.380 45 H HN 0.359 8.639 8.280 -0.000 0.000 0.513 46 L N -0.701 120.644 121.223 0.203 0.000 2.418 46 L HA -0.049 4.633 4.340 0.570 0.000 0.218 46 L C 2.038 178.944 176.870 0.061 0.000 1.125 46 L CA 0.966 55.883 54.840 0.129 0.000 0.835 46 L CB -0.102 42.055 42.059 0.162 0.000 0.953 46 L HN 0.358 8.588 8.230 -0.000 0.000 0.454 47 T N -1.303 113.286 114.554 0.060 0.000 2.809 47 T HA -0.189 4.503 4.350 0.570 0.000 0.260 47 T C 1.764 176.402 174.700 -0.104 0.000 1.039 47 T CA 0.998 63.078 62.100 -0.032 0.000 1.141 47 T CB -0.010 68.852 68.868 -0.009 0.000 0.869 47 T HN 0.132 8.372 8.240 -0.000 0.000 0.437 48 Q N 0.187 119.912 119.800 -0.124 0.000 2.020 48 Q HA -0.027 4.654 4.340 0.570 0.000 0.202 48 Q C -0.413 175.344 176.000 -0.404 0.000 0.982 48 Q CA 1.420 57.060 55.803 -0.271 0.000 0.838 48 Q CB -0.172 28.282 28.738 -0.474 0.000 0.899 48 Q HN 0.560 8.830 8.270 -0.000 0.000 0.423 49 Y N -0.192 120.041 120.300 -0.113 0.000 2.360 49 Y HA 0.493 5.383 4.550 0.567 0.000 0.337 49 Y C -0.905 174.966 175.900 -0.049 0.000 1.039 49 Y CA -1.256 56.774 58.100 -0.117 0.000 1.109 49 Y CB 1.684 39.979 38.460 -0.275 0.000 1.201 49 Y HN -0.021 8.259 8.280 -0.000 0.000 0.458 50 D N -0.013 120.479 120.400 0.153 0.000 2.977 50 D HA 0.286 5.268 4.640 0.570 0.000 0.220 50 D C 0.200 176.549 176.300 0.082 0.000 1.267 50 D CA -0.287 53.785 54.000 0.121 0.000 0.884 50 D CB 1.796 42.685 40.800 0.148 0.000 1.667 50 D HN 0.491 8.861 8.370 -0.000 0.000 0.536 51 T N 1.524 116.115 114.554 0.062 0.000 2.643 51 T HA -0.099 4.592 4.350 0.570 0.000 0.264 51 T C 1.744 176.421 174.700 -0.039 0.000 1.045 51 T CA 1.821 63.934 62.100 0.022 0.000 1.155 51 T CB -0.220 68.668 68.868 0.034 0.000 0.863 51 T HN 0.529 8.769 8.240 -0.000 0.000 0.420 52 A N 0.746 123.514 122.820 -0.086 0.000 1.930 52 A HA -0.056 4.606 4.320 0.570 0.000 0.215 52 A C 1.852 179.181 177.584 -0.425 0.000 1.176 52 A CA 0.971 52.849 52.037 -0.266 0.000 0.632 52 A CB -0.433 18.358 19.000 -0.349 0.000 0.819 52 A HN 0.594 8.744 8.150 -0.000 0.000 0.445 53 H N -0.710 118.332 119.070 -0.047 0.000 2.586 53 H HA 0.331 5.237 4.556 0.583 0.000 0.273 53 H C 1.342 176.544 175.328 -0.210 0.000 0.997 53 H CA 0.410 56.368 56.048 -0.151 0.000 1.177 53 H CB -0.187 29.531 29.762 -0.074 0.000 1.471 53 H HN 0.620 8.900 8.280 -0.000 0.000 0.538 54 G N 1.910 110.683 108.800 -0.046 0.000 2.804 54 G HA2 -0.310 3.992 3.960 0.570 0.000 0.230 54 G HA3 -0.310 3.992 3.960 0.570 0.000 0.230 54 G C -0.228 174.678 174.900 0.010 0.000 1.386 54 G CA -0.210 44.866 45.100 -0.040 0.000 0.875 54 G HN 0.370 8.660 8.290 -0.000 0.000 0.557 55 K N -0.601 119.805 120.400 0.010 0.000 2.484 55 K HA 0.376 5.038 4.320 0.570 0.000 0.280 55 K C 0.386 176.983 176.600 -0.005 0.000 1.013 55 K CA -0.238 56.045 56.287 -0.007 0.000 1.029 55 K CB 0.002 32.491 32.500 -0.018 0.000 0.902 55 K HN 0.847 9.097 8.250 -0.000 0.000 0.481 56 F N 7.587 127.455 119.950 -0.136 0.000 2.543 56 F HA 0.221 5.088 4.527 0.567 0.000 0.375 56 F C -1.812 173.934 175.800 -0.090 0.000 1.075 56 F CA -2.254 55.694 58.000 -0.085 0.000 1.225 56 F CB 0.449 39.402 39.000 -0.078 0.000 1.099 56 F HN 0.537 8.837 8.300 -0.000 0.000 0.561 57 P HA 0.321 4.741 4.420 -0.000 0.000 0.231 57 P C -0.330 176.465 177.300 -0.841 0.000 1.811 57 P CA 0.193 62.950 63.100 -0.571 0.000 1.051 57 P CB 0.096 31.587 31.700 -0.349 0.000 1.951 58 G N 1.029 109.343 108.800 -0.810 0.000 2.441 58 G HA2 0.246 4.548 3.960 0.570 0.000 0.294 58 G HA3 0.246 4.548 3.960 0.570 0.000 0.294 58 G C -1.867 172.965 174.900 -0.114 0.000 1.393 58 G CA -0.699 44.062 45.100 -0.566 0.000 0.796 58 G HN 0.157 8.447 8.290 -0.000 0.000 0.494 59 E N -0.570 119.643 120.200 0.021 0.000 2.156 59 E HA 0.553 5.245 4.350 0.570 0.000 0.279 59 E C -0.776 175.875 176.600 0.085 0.000 0.965 59 E CA -0.635 55.788 56.400 0.039 0.000 0.789 59 E CB 2.488 32.188 29.700 0.001 0.000 1.098 59 E HN 0.283 8.643 8.360 -0.000 0.000 0.397 60 V N 2.525 122.478 119.914 0.066 0.000 2.588 60 V HA 0.577 5.039 4.120 0.570 0.000 0.304 60 V C -0.322 175.792 176.094 0.034 0.000 1.042 60 V CA -0.574 61.747 62.300 0.035 0.000 0.877 60 V CB 1.576 33.409 31.823 0.016 0.000 0.996 60 V HN 0.853 9.043 8.190 -0.000 0.000 0.425 61 S N 2.890 118.610 115.700 0.033 0.000 2.643 61 S HA 0.870 5.681 4.470 0.570 0.000 0.270 61 S C -1.018 173.611 174.600 0.050 0.000 1.166 61 S CA -0.661 57.566 58.200 0.045 0.000 0.815 61 S CB 1.984 65.207 63.200 0.038 0.000 1.139 61 S HN 1.487 9.797 8.310 -0.000 0.000 0.472 62 V N -0.817 119.131 119.914 0.056 0.000 2.531 62 V HA 0.793 5.255 4.120 0.570 0.000 0.301 62 V C -1.454 174.677 176.094 0.061 0.000 1.034 62 V CA -0.498 61.840 62.300 0.065 0.000 0.865 62 V CB 1.325 33.187 31.823 0.065 0.000 0.995 62 V HN 0.968 9.158 8.190 -0.000 0.000 0.424 63 D N 3.482 123.928 120.400 0.076 0.000 2.458 63 D HA 0.599 5.580 4.640 0.570 0.000 0.258 63 D C 0.904 177.265 176.300 0.101 0.000 1.134 63 D CA 1.284 55.320 54.000 0.060 0.000 0.915 63 D CB 0.884 41.694 40.800 0.016 0.000 1.028 63 D HN 1.277 9.647 8.370 -0.000 0.000 0.508 64 G N 4.118 112.967 108.800 0.081 0.000 2.574 64 G HA2 -0.292 4.010 3.960 0.570 0.000 0.301 64 G HA3 -0.292 4.010 3.960 0.570 0.000 0.301 64 G C 0.071 175.028 174.900 0.095 0.000 1.166 64 G CA 0.185 45.336 45.100 0.085 0.000 0.971 64 G HN 0.518 8.808 8.290 -0.000 0.000 0.542 65 D N 1.122 121.596 120.400 0.122 0.000 2.767 65 D HA 0.638 5.619 4.640 0.570 0.000 0.241 65 D C -0.565 175.727 176.300 -0.013 0.000 1.187 65 D CA 0.430 54.450 54.000 0.033 0.000 0.999 65 D CB -0.173 40.613 40.800 -0.023 0.000 1.042 65 D HN 0.371 8.741 8.370 -0.000 0.000 0.510 66 Y N -0.554 119.740 120.300 -0.010 0.000 2.732 66 Y HA 0.300 5.192 4.550 0.569 0.000 0.342 66 Y C -1.409 174.484 175.900 -0.012 0.000 1.203 66 Y CA -1.139 56.956 58.100 -0.009 0.000 1.092 66 Y CB 1.317 39.777 38.460 0.001 0.000 1.345 66 Y HN -0.058 8.222 8.280 -0.000 0.000 0.458 67 L N 2.171 123.517 121.223 0.205 0.000 2.385 67 L HA 0.863 5.545 4.340 0.570 0.000 0.273 67 L C -1.703 175.230 176.870 0.105 0.000 0.990 67 L CA -0.668 54.230 54.840 0.097 0.000 0.821 67 L CB 1.912 43.977 42.059 0.009 0.000 1.279 67 L HN 0.354 8.584 8.230 -0.000 0.000 0.412 68 V N 5.374 125.322 119.914 0.057 0.000 2.378 68 V HA 0.572 5.034 4.120 0.570 0.000 0.288 68 V C -0.710 175.376 176.094 -0.013 0.000 1.016 68 V CA -0.647 61.673 62.300 0.033 0.000 0.840 68 V CB 1.642 33.479 31.823 0.022 0.000 0.994 68 V HN 0.469 8.659 8.190 -0.000 0.000 0.431 69 V N 4.883 124.762 119.914 -0.060 0.000 2.380 69 V HA 0.443 4.905 4.120 0.570 0.000 0.286 69 V C 0.093 176.035 176.094 -0.253 0.000 1.015 69 V CA -0.805 61.365 62.300 -0.216 0.000 0.834 69 V CB 1.255 32.796 31.823 -0.470 0.000 1.009 69 V HN 0.967 9.157 8.190 -0.000 0.000 0.428 70 N N 4.232 122.864 118.700 -0.113 0.000 2.725 70 N HA -0.219 4.863 4.740 0.570 0.000 0.251 70 N C 1.210 176.723 175.510 0.006 0.000 1.031 70 N CA 1.763 54.783 53.050 -0.051 0.000 0.720 70 N CB -1.095 37.360 38.487 -0.053 0.000 0.930 70 N HN 1.470 9.850 8.380 -0.000 0.000 0.543 71 G N -1.741 107.064 108.800 0.008 0.000 2.258 71 G HA2 -0.285 4.017 3.960 0.570 0.000 0.233 71 G HA3 -0.285 4.017 3.960 0.570 0.000 0.233 71 G C -0.416 174.512 174.900 0.046 0.000 1.006 71 G CA 0.300 45.416 45.100 0.026 0.000 0.620 71 G HN 0.495 8.785 8.290 -0.000 0.000 0.511 72 D N 0.964 121.414 120.400 0.083 0.000 2.210 72 D HA 0.535 5.517 4.640 0.570 0.000 0.249 72 D C 0.642 177.015 176.300 0.121 0.000 1.078 72 D CA -0.274 53.806 54.000 0.133 0.000 0.875 72 D CB 0.755 41.711 40.800 0.259 0.000 1.175 72 D HN 0.362 8.732 8.370 -0.000 0.000 0.440 73 R N 1.833 122.399 120.500 0.110 0.000 2.210 73 R HA 0.353 5.035 4.340 0.570 0.000 0.338 73 R C -0.358 176.111 176.300 0.282 0.000 1.062 73 R CA -0.685 55.497 56.100 0.137 0.000 0.902 73 R CB 0.481 30.751 30.300 -0.051 0.000 1.050 73 R HN 0.266 8.536 8.270 -0.000 0.000 0.461 74 I N 3.299 124.044 120.570 0.291 0.000 2.315 74 I HA 0.136 4.648 4.170 0.570 0.000 0.291 74 I C 0.455 176.648 176.117 0.127 0.000 1.006 74 I CA -0.638 60.781 61.300 0.198 0.000 1.265 74 I CB 1.079 39.142 38.000 0.105 0.000 1.387 74 I HN 0.282 8.492 8.210 -0.000 0.000 0.475 75 R N 6.071 126.561 120.500 -0.017 0.000 2.351 75 R HA 0.323 5.004 4.340 0.570 0.000 0.318 75 R C -1.127 175.015 176.300 -0.265 0.000 1.055 75 R CA 0.006 55.866 56.100 -0.399 0.000 0.968 75 R CB 0.162 30.308 30.300 -0.256 0.000 0.974 75 R HN 0.440 8.710 8.270 -0.000 0.000 0.439 76 V N 6.765 126.482 119.914 -0.329 0.000 2.732 76 V HA 0.313 4.775 4.120 0.570 0.000 0.297 76 V C 0.658 176.633 176.094 -0.197 0.000 1.060 76 V CA -0.294 61.881 62.300 -0.207 0.000 1.038 76 V CB 1.048 32.772 31.823 -0.165 0.000 1.003 76 V HN 0.677 8.867 8.190 -0.000 0.000 0.481 77 L N 2.541 123.682 121.223 -0.137 0.000 2.171 77 L HA 0.881 5.563 4.340 0.570 0.000 0.253 77 L C 0.272 177.084 176.870 -0.097 0.000 1.054 77 L CA -0.697 54.060 54.840 -0.139 0.000 0.927 77 L CB 1.792 43.750 42.059 -0.170 0.000 1.513 77 L HN 0.629 8.859 8.230 -0.000 0.000 0.471 78 A N -0.094 122.666 122.820 -0.101 0.000 2.536 78 A HA 0.194 4.855 4.320 0.570 0.000 0.220 78 A C -0.575 176.962 177.584 -0.078 0.000 0.949 78 A CA -0.360 51.636 52.037 -0.069 0.000 1.224 78 A CB -0.132 18.834 19.000 -0.057 0.000 1.202 78 A HN 0.559 8.709 8.150 -0.000 0.000 0.448 79 N N 0.870 119.505 118.700 -0.108 0.000 2.444 79 N HA 0.360 5.441 4.740 0.570 0.000 0.271 79 N C 1.371 176.816 175.510 -0.108 0.000 1.069 79 N CA 0.614 53.593 53.050 -0.118 0.000 0.965 79 N CB 1.326 39.710 38.487 -0.171 0.000 1.092 79 N HN 0.478 8.858 8.380 -0.000 0.000 0.476 80 R N 3.023 123.466 120.500 -0.094 0.000 2.148 80 R HA -0.056 4.625 4.340 0.570 0.000 0.223 80 R C 0.717 176.908 176.300 -0.181 0.000 1.088 80 R CA 1.037 57.076 56.100 -0.102 0.000 0.985 80 R CB -0.814 29.466 30.300 -0.034 0.000 0.880 80 R HN 0.631 8.901 8.270 -0.000 0.000 0.451 81 N N -0.042 118.568 118.700 -0.149 0.000 2.419 81 N HA 0.265 5.346 4.740 0.570 0.000 0.277 81 N C -2.151 173.240 175.510 -0.199 0.000 1.006 81 N CA -2.663 50.292 53.050 -0.158 0.000 0.923 81 N CB 2.188 40.621 38.487 -0.089 0.000 1.140 81 N HN -0.076 8.304 8.380 -0.000 0.000 0.488 82 P HA 0.106 4.526 4.420 -0.000 0.000 0.227 82 P C 0.484 177.706 177.300 -0.130 0.000 1.161 82 P CA 0.407 63.320 63.100 -0.312 0.000 0.788 82 P CB 0.242 31.446 31.700 -0.826 0.000 0.822 83 A N 1.073 123.830 122.820 -0.104 0.000 2.067 83 A HA -0.141 4.520 4.320 0.570 0.000 0.219 83 A C 1.678 179.233 177.584 -0.049 0.000 1.158 83 A CA 1.226 53.240 52.037 -0.040 0.000 0.661 83 A CB -0.850 18.133 19.000 -0.029 0.000 0.801 83 A HN 0.413 8.563 8.150 -0.000 0.000 0.452 84 E N -0.900 119.239 120.200 -0.102 0.000 2.660 84 E HA 0.370 5.062 4.350 0.570 0.000 0.216 84 E C -0.341 176.126 176.600 -0.220 0.000 0.986 84 E CA -0.515 55.810 56.400 -0.125 0.000 1.037 84 E CB -0.193 29.448 29.700 -0.099 0.000 1.041 84 E HN 0.427 8.787 8.360 -0.000 0.000 0.480 85 L N 2.590 123.603 121.223 -0.350 0.000 2.452 85 L HA 0.147 4.829 4.340 0.570 0.000 0.267 85 L C -1.069 175.419 176.870 -0.638 0.000 1.188 85 L CA -1.511 52.924 54.840 -0.675 0.000 0.821 85 L CB 0.585 41.883 42.059 -1.269 0.000 1.102 85 L HN -0.005 8.225 8.230 -0.000 0.000 0.470 86 P HA -0.176 4.244 4.420 -0.000 0.000 0.221 86 P C 1.099 178.334 177.300 -0.109 0.000 1.150 86 P CA 1.096 64.031 63.100 -0.274 0.000 0.800 86 P CB 0.064 31.636 31.700 -0.213 0.000 0.787 87 W N 0.526 121.825 121.300 -0.002 0.000 2.165 87 W HA -0.327 4.674 4.660 0.569 0.000 0.359 87 W C 2.443 178.962 176.519 -0.001 0.000 1.685 87 W CA 1.179 58.525 57.345 0.001 0.000 1.814 87 W CB -2.341 27.130 29.460 0.018 0.000 0.949 87 W HN 0.055 8.235 8.180 -0.000 0.000 0.467 88 G N -0.645 108.306 108.800 0.251 0.000 2.471 88 G HA2 -0.249 4.052 3.960 0.570 0.000 0.219 88 G HA3 -0.249 4.052 3.960 0.570 0.000 0.219 88 G C 1.106 176.058 174.900 0.087 0.000 1.125 88 G CA 1.105 46.288 45.100 0.139 0.000 0.775 88 G HN 0.490 8.780 8.290 -0.000 0.000 0.548 89 E N 0.582 120.823 120.200 0.068 0.000 2.097 89 E HA -0.151 4.541 4.350 0.570 0.000 0.196 89 E C 2.008 178.641 176.600 0.055 0.000 1.000 89 E CA 1.120 57.544 56.400 0.041 0.000 0.804 89 E CB -0.251 29.456 29.700 0.011 0.000 0.740 89 E HN 0.549 8.909 8.360 -0.000 0.000 0.454 90 L N -2.945 118.328 121.223 0.083 0.000 2.818 90 L HA 0.541 5.223 4.340 0.570 0.000 0.243 90 L C 0.983 177.906 176.870 0.089 0.000 1.185 90 L CA 0.009 54.902 54.840 0.088 0.000 0.988 90 L CB 0.166 42.287 42.059 0.104 0.000 1.292 90 L HN 0.191 8.421 8.230 -0.000 0.000 0.519 91 G N 0.962 109.812 108.800 0.083 0.000 2.246 91 G HA2 -0.237 4.065 3.960 0.570 0.000 0.273 91 G HA3 -0.237 4.065 3.960 0.570 0.000 0.273 91 G C 0.110 175.035 174.900 0.042 0.000 1.055 91 G CA 0.213 45.346 45.100 0.056 0.000 0.851 91 G HN 0.230 8.520 8.290 -0.000 0.000 0.500 92 V N 0.892 120.847 119.914 0.069 0.000 2.425 92 V HA 0.099 4.561 4.120 0.570 0.000 0.276 92 V C 1.379 177.434 176.094 -0.065 0.000 1.017 92 V CA 0.498 62.794 62.300 -0.007 0.000 1.062 92 V CB 0.947 32.760 31.823 -0.017 0.000 0.997 92 V HN 0.399 8.589 8.190 -0.000 0.000 0.476 93 D N 3.344 123.691 120.400 -0.088 0.000 2.162 93 D HA 0.030 5.012 4.640 0.570 0.000 0.203 93 D C 0.346 176.565 176.300 -0.134 0.000 0.967 93 D CA 1.180 55.127 54.000 -0.088 0.000 0.840 93 D CB 0.702 41.457 40.800 -0.075 0.000 0.972 93 D HN 0.410 8.780 8.370 -0.000 0.000 0.482 94 V N 1.120 120.915 119.914 -0.198 0.000 2.733 94 V HA 0.299 4.760 4.120 0.570 0.000 0.306 94 V C -0.227 175.646 176.094 -0.368 0.000 1.084 94 V CA -0.825 61.330 62.300 -0.242 0.000 0.905 94 V CB 2.850 34.553 31.823 -0.201 0.000 1.010 94 V HN -0.264 7.926 8.190 -0.000 0.000 0.424 95 V N 4.828 124.475 119.914 -0.445 0.000 2.815 95 V HA 0.601 5.062 4.120 0.570 0.000 0.314 95 V C -0.273 175.549 176.094 -0.453 0.000 1.064 95 V CA -0.622 61.304 62.300 -0.624 0.000 0.952 95 V CB 2.091 33.319 31.823 -0.991 0.000 1.020 95 V HN 0.858 9.048 8.190 -0.000 0.000 0.439 96 M N 3.088 122.452 119.600 -0.393 0.000 2.085 96 M HA 0.418 5.240 4.480 0.570 0.000 0.309 96 M C -0.804 175.401 176.300 -0.158 0.000 0.947 96 M CA -0.522 54.639 55.300 -0.232 0.000 0.918 96 M CB 1.741 34.237 32.600 -0.173 0.000 1.504 96 M HN 0.694 8.984 8.290 -0.000 0.000 0.420 97 E N 2.516 122.662 120.200 -0.089 0.000 2.046 97 E HA 0.278 4.969 4.350 0.570 0.000 0.279 97 E C -0.717 175.945 176.600 0.104 0.000 0.989 97 E CA -0.267 56.158 56.400 0.042 0.000 0.798 97 E CB 0.491 30.262 29.700 0.119 0.000 1.086 97 E HN 0.761 9.121 8.360 -0.000 0.000 0.399 98 C N 3.169 122.547 119.300 0.131 0.000 3.255 98 C HA 0.152 4.954 4.460 0.570 0.000 0.282 98 C C 1.575 176.675 174.990 0.184 0.000 1.441 98 C CA 0.354 59.460 59.018 0.147 0.000 1.785 98 C CB -0.892 26.920 27.740 0.120 0.000 2.583 98 C HN 0.830 9.060 8.230 -0.000 0.000 0.615 99 T N -1.913 112.787 114.554 0.243 0.000 3.014 99 T HA 0.333 5.025 4.350 0.570 0.000 0.263 99 T C 1.921 176.810 174.700 0.315 0.000 1.078 99 T CA 1.494 63.792 62.100 0.331 0.000 1.135 99 T CB 0.004 69.133 68.868 0.436 0.000 0.895 99 T HN 0.817 9.057 8.240 -0.000 0.000 0.480 100 G N 1.155 110.111 108.800 0.260 0.000 2.900 100 G HA2 -0.355 3.947 3.960 0.570 0.000 0.223 100 G HA3 -0.355 3.947 3.960 0.570 0.000 0.223 100 G C 0.830 175.813 174.900 0.139 0.000 1.293 100 G CA 0.188 45.367 45.100 0.132 0.000 0.792 100 G HN 0.448 8.738 8.290 -0.000 0.000 0.527 101 F N 0.653 120.677 119.950 0.123 0.000 2.158 101 F HA -0.053 4.815 4.527 0.568 0.000 0.299 101 F C 1.539 177.181 175.800 -0.262 0.000 1.060 101 F CA 1.958 59.926 58.000 -0.054 0.000 1.284 101 F CB -0.316 38.658 39.000 -0.042 0.000 1.035 101 F HN 0.216 8.516 8.300 -0.000 0.000 0.496 102 F N -0.310 119.782 119.950 0.237 0.000 2.438 102 F HA 0.209 5.077 4.527 0.568 0.000 0.315 102 F C 1.156 177.032 175.800 0.127 0.000 1.258 102 F CA -0.429 57.670 58.000 0.165 0.000 1.180 102 F CB -0.070 39.030 39.000 0.166 0.000 1.412 102 F HN -0.209 8.091 8.300 -0.000 0.000 0.544 103 T N -3.482 111.179 114.554 0.178 0.000 3.009 103 T HA 0.000 4.692 4.350 0.570 0.000 0.258 103 T C 1.193 175.957 174.700 0.107 0.000 1.063 103 T CA 0.368 62.545 62.100 0.128 0.000 1.139 103 T CB -0.185 68.722 68.868 0.065 0.000 0.890 103 T HN 0.322 8.562 8.240 -0.000 0.000 0.471 104 S N 1.419 117.175 115.700 0.093 0.000 2.634 104 S HA 0.379 5.190 4.470 0.570 0.000 0.261 104 S C 1.142 175.794 174.600 0.087 0.000 1.271 104 S CA -0.664 57.580 58.200 0.073 0.000 0.985 104 S CB 1.468 64.700 63.200 0.052 0.000 0.968 104 S HN 0.237 8.547 8.310 -0.000 0.000 0.568 105 K N 0.523 120.963 120.400 0.066 0.000 2.062 105 K HA -0.050 4.611 4.320 0.570 0.000 0.205 105 K C 2.016 178.659 176.600 0.072 0.000 1.051 105 K CA 1.599 57.924 56.287 0.064 0.000 0.941 105 K CB -0.396 32.131 32.500 0.045 0.000 0.719 105 K HN 0.707 8.957 8.250 -0.000 0.000 0.440 106 E N 0.846 121.086 120.200 0.067 0.000 2.107 106 E HA -0.148 4.544 4.350 0.570 0.000 0.191 106 E C 1.501 178.152 176.600 0.084 0.000 0.982 106 E CA 1.019 57.458 56.400 0.065 0.000 0.809 106 E CB 0.117 29.849 29.700 0.053 0.000 0.756 106 E HN 0.335 8.695 8.360 -0.000 0.000 0.459 107 K N 0.040 120.507 120.400 0.111 0.000 2.148 107 K HA -0.052 4.609 4.320 0.570 0.000 0.204 107 K C 2.061 178.758 176.600 0.161 0.000 1.050 107 K CA 0.989 57.375 56.287 0.165 0.000 0.942 107 K CB -0.023 32.619 32.500 0.236 0.000 0.724 107 K HN 0.055 8.305 8.250 -0.000 0.000 0.446 108 A N 0.703 123.617 122.820 0.156 0.000 1.970 108 A HA -0.030 4.632 4.320 0.570 0.000 0.216 108 A C 1.974 179.655 177.584 0.162 0.000 1.170 108 A CA 1.080 53.228 52.037 0.185 0.000 0.645 108 A CB -0.130 18.962 19.000 0.153 0.000 0.816 108 A HN 0.098 8.248 8.150 -0.000 0.000 0.447 109 S N -0.023 115.742 115.700 0.107 0.000 2.555 109 S HA 0.152 4.964 4.470 0.570 0.000 0.230 109 S C 1.977 176.624 174.600 0.078 0.000 0.978 109 S CA 0.595 58.848 58.200 0.090 0.000 0.934 109 S CB -0.221 63.019 63.200 0.067 0.000 0.766 109 S HN 0.730 9.040 8.310 -0.000 0.000 0.533 110 A N 1.488 124.336 122.820 0.046 0.000 1.972 110 A HA -0.173 4.489 4.320 0.570 0.000 0.219 110 A C 1.771 179.359 177.584 0.007 0.000 1.169 110 A CA 1.256 53.287 52.037 -0.009 0.000 0.635 110 A CB -0.691 18.262 19.000 -0.078 0.000 0.810 110 A HN 0.546 8.696 8.150 -0.000 0.000 0.446 111 H N -0.921 118.217 119.070 0.114 0.000 2.423 111 H HA -0.067 4.831 4.556 0.569 0.000 0.297 111 H C 1.823 177.228 175.328 0.129 0.000 1.075 111 H CA 1.493 57.639 56.048 0.163 0.000 1.342 111 H CB -0.100 29.658 29.762 -0.007 0.000 1.395 111 H HN 0.334 8.614 8.280 -0.000 0.000 0.530 112 L N 1.158 122.488 121.223 0.179 0.000 2.056 112 L HA -0.108 4.574 4.340 0.570 0.000 0.207 112 L C 2.398 179.336 176.870 0.114 0.000 1.078 112 L CA 1.344 56.253 54.840 0.115 0.000 0.749 112 L CB -0.745 41.360 42.059 0.077 0.000 0.901 112 L HN 0.079 8.309 8.230 -0.000 0.000 0.433 113 K N -0.561 119.898 120.400 0.099 0.000 2.103 113 K HA -0.124 4.538 4.320 0.570 0.000 0.207 113 K C 1.938 178.597 176.600 0.097 0.000 1.048 113 K CA 1.296 57.629 56.287 0.076 0.000 0.930 113 K CB -0.515 32.013 32.500 0.048 0.000 0.716 113 K HN 0.449 8.699 8.250 -0.000 0.000 0.444 114 G N -0.600 108.297 108.800 0.162 0.000 2.598 114 G HA2 -0.018 4.284 3.960 0.570 0.000 0.215 114 G HA3 -0.018 4.284 3.960 0.570 0.000 0.215 114 G C 0.885 175.949 174.900 0.273 0.000 1.131 114 G CA 0.893 46.110 45.100 0.195 0.000 0.785 114 G HN 0.481 8.771 8.290 -0.000 0.000 0.539 115 G N -1.581 107.378 108.800 0.265 0.000 2.551 115 G HA2 0.217 4.519 3.960 0.570 0.000 0.186 115 G HA3 0.217 4.519 3.960 0.570 0.000 0.186 115 G C 0.491 175.489 174.900 0.163 0.000 1.002 115 G CA 0.066 45.289 45.100 0.204 0.000 0.723 115 G HN 1.134 9.424 8.290 -0.000 0.000 0.481 116 A N 0.744 123.652 122.820 0.147 0.000 2.477 116 A HA 0.611 5.272 4.320 0.570 0.000 0.246 116 A C 1.236 178.819 177.584 -0.002 0.000 1.078 116 A CA 1.097 53.124 52.037 -0.018 0.000 0.770 116 A CB 0.307 19.190 19.000 -0.195 0.000 1.011 116 A HN 0.379 8.529 8.150 -0.000 0.000 0.494 117 K N 0.849 121.234 120.400 -0.024 0.000 2.228 117 K HA 0.006 4.668 4.320 0.570 0.000 0.202 117 K C 0.280 176.868 176.600 -0.019 0.000 1.051 117 K CA 0.950 57.230 56.287 -0.012 0.000 0.960 117 K CB 0.019 32.510 32.500 -0.014 0.000 0.743 117 K HN 0.622 8.872 8.250 -0.000 0.000 0.458 118 K N 0.025 120.393 120.400 -0.053 0.000 2.430 118 K HA 0.522 5.184 4.320 0.570 0.000 0.268 118 K C -1.109 175.430 176.600 -0.101 0.000 1.043 118 K CA -0.868 55.388 56.287 -0.052 0.000 0.899 118 K CB 2.334 34.804 32.500 -0.050 0.000 1.472 118 K HN -0.297 7.953 8.250 -0.000 0.000 0.451 119 V N 1.659 121.520 119.914 -0.088 0.000 2.852 119 V HA 0.392 4.853 4.120 0.570 0.000 0.300 119 V C -1.118 174.916 176.094 -0.100 0.000 1.205 119 V CA -0.780 61.439 62.300 -0.135 0.000 0.940 119 V CB 2.191 33.962 31.823 -0.088 0.000 1.047 119 V HN 0.579 8.769 8.190 -0.000 0.000 0.429 120 I N 5.386 125.876 120.570 -0.134 0.000 2.354 120 I HA 0.538 5.050 4.170 0.570 0.000 0.292 120 I C -0.491 175.584 176.117 -0.070 0.000 0.989 120 I CA -0.521 60.720 61.300 -0.099 0.000 1.188 120 I CB 1.705 39.625 38.000 -0.134 0.000 1.342 120 I HN 0.404 8.614 8.210 -0.000 0.000 0.457 121 I N 4.624 125.184 120.570 -0.015 0.000 2.385 121 I HA 0.145 4.657 4.170 0.570 0.000 0.294 121 I C 0.943 177.107 176.117 0.079 0.000 0.988 121 I CA -0.181 61.142 61.300 0.039 0.000 1.265 121 I CB 1.760 39.800 38.000 0.068 0.000 1.388 121 I HN 0.648 8.858 8.210 -0.000 0.000 0.480 122 S N 4.312 120.093 115.700 0.135 0.000 2.582 122 S HA 0.709 5.520 4.470 0.570 0.000 0.249 122 S C -0.012 174.814 174.600 0.377 0.000 1.072 122 S CA -0.355 58.024 58.200 0.298 0.000 1.115 122 S CB -0.163 63.199 63.200 0.270 0.000 0.790 122 S HN 0.782 9.092 8.310 -0.000 0.000 0.459 123 A N 0.996 123.970 122.820 0.258 0.000 2.540 123 A HA 0.771 5.433 4.320 0.570 0.000 0.291 123 A C -3.401 174.251 177.584 0.113 0.000 1.083 123 A CA -1.545 50.576 52.037 0.140 0.000 0.650 123 A CB 0.092 19.140 19.000 0.080 0.000 1.292 123 A HN 0.270 8.420 8.150 -0.000 0.000 0.435 124 P HA 0.403 4.823 4.420 -0.000 0.000 0.271 124 P C 0.186 177.512 177.300 0.043 0.000 1.220 124 P CA 0.461 63.591 63.100 0.050 0.000 0.768 124 P CB 0.956 32.672 31.700 0.026 0.000 0.848 125 G N 2.466 111.291 108.800 0.042 0.000 2.437 125 G HA2 0.516 4.818 3.960 0.570 0.000 0.319 125 G HA3 0.516 4.818 3.960 0.570 0.000 0.319 125 G C 0.218 175.134 174.900 0.026 0.000 1.158 125 G CA -0.665 44.458 45.100 0.038 0.000 0.899 125 G HN 0.574 8.864 8.290 -0.000 0.000 0.502 126 G N -1.072 107.744 108.800 0.026 0.000 2.647 126 G HA2 0.461 4.763 3.960 0.570 0.000 0.234 126 G HA3 0.461 4.763 3.960 0.570 0.000 0.234 126 G C 0.728 175.637 174.900 0.016 0.000 1.252 126 G CA 0.286 45.398 45.100 0.019 0.000 0.846 126 G HN 1.060 9.350 8.290 -0.000 0.000 0.589 127 K N 0.188 120.595 120.400 0.011 0.000 2.686 127 K HA 0.373 5.035 4.320 0.570 0.000 0.244 127 K C 0.461 177.066 176.600 0.008 0.000 1.262 127 K CA 0.562 56.854 56.287 0.008 0.000 1.199 127 K CB -0.791 31.712 32.500 0.006 0.000 1.428 127 K HN 0.880 9.130 8.250 -0.000 0.000 0.247 128 D N -2.956 117.449 120.400 0.009 0.000 3.964 128 D HA 0.103 5.085 4.640 0.570 0.000 0.269 128 D C -0.388 175.919 176.300 0.012 0.000 1.500 128 D CA 0.126 54.133 54.000 0.011 0.000 0.770 128 D CB -1.081 39.729 40.800 0.017 0.000 1.356 128 D HN 0.389 8.759 8.370 -0.000 0.000 0.755 129 V N -3.119 116.795 119.914 0.000 0.000 2.876 129 V HA 0.568 5.030 4.120 0.570 0.000 0.312 129 V C 0.504 176.572 176.094 -0.042 0.000 1.085 129 V CA -0.779 61.516 62.300 -0.008 0.000 0.945 129 V CB 2.053 33.874 31.823 -0.002 0.000 1.017 129 V HN -0.105 8.085 8.190 -0.000 0.000 0.428 130 D N 2.168 122.532 120.400 -0.061 0.000 2.190 130 D HA 0.222 5.204 4.640 0.570 0.000 0.200 130 D C 0.778 176.896 176.300 -0.303 0.000 0.992 130 D CA 2.647 56.556 54.000 -0.152 0.000 0.854 130 D CB 0.108 40.823 40.800 -0.142 0.000 0.936 130 D HN 1.172 9.542 8.370 -0.000 0.000 0.462 131 A N -1.647 121.043 122.820 -0.216 0.000 2.586 131 A HA 0.632 5.294 4.320 0.570 0.000 0.290 131 A C -1.136 176.397 177.584 -0.085 0.000 1.086 131 A CA -0.729 51.199 52.037 -0.183 0.000 0.665 131 A CB 1.587 20.431 19.000 -0.260 0.000 1.279 131 A HN -0.106 8.044 8.150 -0.000 0.000 0.423 132 T N 1.695 116.216 114.554 -0.055 0.000 2.840 132 T HA 0.579 5.271 4.350 0.570 0.000 0.287 132 T C -0.802 173.894 174.700 -0.008 0.000 0.991 132 T CA -0.196 61.895 62.100 -0.016 0.000 0.964 132 T CB 0.525 69.393 68.868 0.001 0.000 0.954 132 T HN 0.449 8.689 8.240 -0.000 0.000 0.438 133 I N 3.148 123.724 120.570 0.010 0.000 2.603 133 I HA 0.540 5.051 4.170 0.570 0.000 0.300 133 I C -0.451 175.695 176.117 0.048 0.000 1.017 133 I CA -1.011 60.304 61.300 0.026 0.000 1.098 133 I CB 2.195 40.218 38.000 0.038 0.000 1.279 133 I HN 0.298 8.508 8.210 -0.000 0.000 0.437 134 V N 6.412 126.360 119.914 0.056 0.000 2.357 134 V HA 0.200 4.662 4.120 0.570 0.000 0.281 134 V C -0.470 175.678 176.094 0.091 0.000 1.015 134 V CA -0.746 61.596 62.300 0.070 0.000 0.827 134 V CB 1.334 33.186 31.823 0.048 0.000 1.018 134 V HN 0.566 8.756 8.190 -0.000 0.000 0.432 135 Y N 4.132 124.418 120.300 -0.023 0.000 2.620 135 Y HA 0.404 5.295 4.550 0.570 0.000 0.330 135 Y C 1.371 177.251 175.900 -0.034 0.000 1.186 135 Y CA 1.919 59.973 58.100 -0.077 0.000 1.467 135 Y CB 0.900 39.239 38.460 -0.201 0.000 1.262 135 Y HN 0.894 9.174 8.280 -0.000 0.000 0.550 136 G N 2.903 111.496 108.800 -0.344 0.000 2.194 136 G HA2 -0.281 4.021 3.960 0.570 0.000 0.236 136 G HA3 -0.281 4.021 3.960 0.570 0.000 0.236 136 G C 0.348 175.259 174.900 0.018 0.000 0.987 136 G CA 0.352 45.400 45.100 -0.087 0.000 0.635 136 G HN 0.683 8.973 8.290 -0.000 0.000 0.520 137 V N 0.837 120.767 119.914 0.027 0.000 2.948 137 V HA 0.232 4.694 4.120 0.570 0.000 0.234 137 V C 1.573 177.647 176.094 -0.033 0.000 1.205 137 V CA 1.830 64.128 62.300 -0.004 0.000 1.234 137 V CB 0.473 32.297 31.823 0.001 0.000 1.020 137 V HN 0.682 8.872 8.190 -0.000 0.000 0.491 138 N N -0.346 118.340 118.700 -0.023 0.000 2.232 138 N HA -0.036 5.046 4.740 0.570 0.000 0.240 138 N C 1.315 176.772 175.510 -0.088 0.000 1.307 138 N CA 0.176 53.186 53.050 -0.067 0.000 0.859 138 N CB -0.478 37.986 38.487 -0.038 0.000 1.260 138 N HN 0.669 9.049 8.380 -0.000 0.000 0.501 139 H N -0.032 118.939 119.070 -0.165 0.000 2.491 139 H HA 0.059 4.957 4.556 0.570 0.000 0.290 139 H C 0.049 175.315 175.328 -0.104 0.000 1.050 139 H CA 0.790 56.747 56.048 -0.150 0.000 1.309 139 H CB -0.152 29.434 29.762 -0.295 0.000 1.392 139 H HN 0.055 8.335 8.280 -0.000 0.000 0.554 140 D N 1.670 121.669 120.400 -0.668 0.000 2.311 140 D HA -0.098 4.883 4.640 0.570 0.000 0.212 140 D C 1.915 178.116 176.300 -0.165 0.000 0.972 140 D CA 1.234 54.988 54.000 -0.410 0.000 0.887 140 D CB 0.033 40.604 40.800 -0.381 0.000 0.915 140 D HN 0.500 8.870 8.370 -0.000 0.000 0.497 141 V N -0.982 118.870 119.914 -0.103 0.000 3.602 141 V HA 0.162 4.624 4.120 0.570 0.000 0.289 141 V C 0.606 176.756 176.094 0.093 0.000 1.265 141 V CA -0.161 62.132 62.300 -0.012 0.000 1.202 141 V CB -1.081 30.735 31.823 -0.012 0.000 1.012 141 V HN -0.078 8.112 8.190 -0.000 0.000 0.431 142 L N 1.237 122.509 121.223 0.081 0.000 2.421 142 L HA 0.611 5.293 4.340 0.570 0.000 0.263 142 L C 0.355 177.275 176.870 0.083 0.000 1.122 142 L CA -0.190 54.768 54.840 0.197 0.000 0.804 142 L CB 1.355 43.500 42.059 0.144 0.000 1.150 142 L HN 0.248 8.478 8.230 -0.000 0.000 0.457 143 K N 0.109 120.497 120.400 -0.019 0.000 2.499 143 K HA 0.491 5.153 4.320 0.570 0.000 0.277 143 K C 0.191 176.674 176.600 -0.196 0.000 1.025 143 K CA -0.615 55.530 56.287 -0.236 0.000 0.900 143 K CB 1.690 33.909 32.500 -0.469 0.000 1.494 143 K HN 0.500 8.750 8.250 -0.000 0.000 0.442 144 A N 0.557 123.286 122.820 -0.152 0.000 2.066 144 A HA -0.096 4.566 4.320 0.570 0.000 0.218 144 A C 1.466 178.992 177.584 -0.096 0.000 1.157 144 A CA 1.501 53.485 52.037 -0.089 0.000 0.670 144 A CB -0.385 18.577 19.000 -0.063 0.000 0.804 144 A HN 0.743 8.893 8.150 -0.000 0.000 0.453 145 E N 0.040 120.134 120.200 -0.176 0.000 2.150 145 E HA -0.047 4.644 4.350 0.570 0.000 0.193 145 E C 0.201 176.783 176.600 -0.030 0.000 0.985 145 E CA 0.547 56.875 56.400 -0.120 0.000 0.814 145 E CB -0.359 29.249 29.700 -0.153 0.000 0.752 145 E HN 0.809 9.169 8.360 -0.000 0.000 0.466 146 H N -0.600 118.469 119.070 -0.003 0.000 2.848 146 H HA 0.064 4.962 4.556 0.570 0.000 0.341 146 H C 1.030 176.356 175.328 -0.004 0.000 1.060 146 H CA 0.494 56.540 56.048 -0.002 0.000 1.444 146 H CB 0.991 30.752 29.762 -0.003 0.000 1.446 146 H HN 0.159 8.439 8.280 -0.000 0.000 0.583 147 T N -0.937 113.693 114.554 0.127 0.000 3.397 147 T HA 0.079 4.771 4.350 0.570 0.000 0.233 147 T C 0.535 175.256 174.700 0.035 0.000 0.969 147 T CA -0.310 61.827 62.100 0.061 0.000 1.316 147 T CB -0.020 68.877 68.868 0.049 0.000 1.175 147 T HN 0.241 8.481 8.240 -0.000 0.000 0.381 148 V N 4.901 124.835 119.914 0.033 0.000 2.258 148 V HA 0.455 4.917 4.120 0.570 0.000 0.258 148 V C 0.260 176.356 176.094 0.002 0.000 1.121 148 V CA -0.979 61.334 62.300 0.021 0.000 0.942 148 V CB -0.771 31.078 31.823 0.044 0.000 1.170 148 V HN 0.542 8.732 8.190 -0.000 0.000 0.487 149 I N 1.457 122.017 120.570 -0.016 0.000 3.062 149 I HA 0.825 5.337 4.170 0.570 0.000 0.318 149 I C 0.249 176.356 176.117 -0.016 0.000 1.026 149 I CA -0.297 60.981 61.300 -0.036 0.000 1.096 149 I CB 1.977 39.946 38.000 -0.052 0.000 1.348 149 I HN 0.432 8.642 8.210 -0.000 0.000 0.543 150 S N 1.248 116.940 115.700 -0.012 0.000 2.503 150 S HA 0.355 5.167 4.470 0.570 0.000 0.301 150 S C -0.051 174.560 174.600 0.019 0.000 1.087 150 S CA -0.687 57.524 58.200 0.018 0.000 1.042 150 S CB 1.338 64.557 63.200 0.032 0.000 1.043 150 S HN 0.793 9.103 8.310 -0.000 0.000 0.489 151 N N 2.650 121.373 118.700 0.039 0.000 2.230 151 N HA 0.439 5.520 4.740 0.570 0.000 0.202 151 N C 0.474 176.090 175.510 0.177 0.000 1.119 151 N CA 0.788 53.844 53.050 0.011 0.000 0.851 151 N CB 0.081 38.461 38.487 -0.178 0.000 0.990 151 N HN 1.111 9.491 8.380 -0.000 0.000 0.497 152 A N -0.804 122.144 122.820 0.213 0.000 5.893 152 A HA -0.090 4.572 4.320 0.570 0.000 0.235 152 A C 0.056 177.796 177.584 0.260 0.000 2.342 152 A CA 0.293 52.457 52.037 0.211 0.000 0.703 152 A CB -2.112 16.990 19.000 0.170 0.000 0.914 152 A HN 0.809 8.959 8.150 -0.000 0.000 0.339 153 S N -1.294 114.476 115.700 0.116 0.000 2.704 153 S HA 0.547 5.359 4.470 0.570 0.000 0.305 153 S C 1.452 175.952 174.600 -0.167 0.000 1.107 153 S CA 0.330 58.457 58.200 -0.122 0.000 0.993 153 S CB 0.987 64.147 63.200 -0.068 0.000 1.110 153 S HN 2.451 10.761 8.310 -0.000 0.000 0.534 154 C N 0.243 119.285 119.300 -0.429 0.000 2.413 154 C HA -0.032 4.770 4.460 0.570 0.000 0.276 154 C C 2.493 177.466 174.990 -0.028 0.000 1.248 154 C CA 1.366 60.316 59.018 -0.113 0.000 1.742 154 C CB -2.320 25.432 27.740 0.019 0.000 2.017 154 C HN 0.909 9.139 8.230 -0.000 0.000 0.481 155 T N 1.355 115.893 114.554 -0.025 0.000 2.737 155 T HA -0.117 4.575 4.350 0.570 0.000 0.265 155 T C 1.867 176.444 174.700 -0.206 0.000 1.038 155 T CA 2.339 64.317 62.100 -0.203 0.000 1.144 155 T CB -0.806 68.080 68.868 0.030 0.000 0.866 155 T HN 0.692 8.932 8.240 -0.000 0.000 0.434 156 T N 2.229 116.738 114.554 -0.076 0.000 2.759 156 T HA -0.105 4.586 4.350 0.570 0.000 0.269 156 T C 1.917 176.596 174.700 -0.035 0.000 1.042 156 T CA 1.297 63.371 62.100 -0.043 0.000 1.140 156 T CB -0.536 68.337 68.868 0.007 0.000 0.864 156 T HN 0.390 8.630 8.240 -0.000 0.000 0.455 157 N N -0.184 118.522 118.700 0.011 0.000 2.364 157 N HA -0.062 5.019 4.740 0.570 0.000 0.183 157 N C 1.876 177.358 175.510 -0.046 0.000 1.022 157 N CA 0.764 53.842 53.050 0.045 0.000 0.883 157 N CB -0.193 38.411 38.487 0.194 0.000 0.965 157 N HN 0.441 8.821 8.380 -0.000 0.000 0.438 158 C N -1.021 118.152 119.300 -0.211 0.000 2.525 158 C HA 0.274 5.076 4.460 0.570 0.000 0.291 158 C C 2.235 177.113 174.990 -0.186 0.000 1.351 158 C CA -0.271 58.575 59.018 -0.288 0.000 1.771 158 C CB -0.987 26.267 27.740 -0.809 0.000 2.177 158 C HN 0.378 8.608 8.230 -0.000 0.000 0.510 159 L N 2.278 123.393 121.223 -0.181 0.000 2.056 159 L HA 0.185 4.866 4.340 0.570 0.000 0.207 159 L C 2.676 179.504 176.870 -0.070 0.000 1.078 159 L CA 2.437 57.211 54.840 -0.110 0.000 0.749 159 L CB -1.203 40.797 42.059 -0.099 0.000 0.901 159 L HN 0.385 8.615 8.230 -0.000 0.000 0.433 160 A N 0.301 123.088 122.820 -0.056 0.000 1.865 160 A HA -0.133 4.528 4.320 0.570 0.000 0.217 160 A C -0.033 177.528 177.584 -0.037 0.000 1.191 160 A CA 2.123 54.135 52.037 -0.041 0.000 0.623 160 A CB -2.104 16.884 19.000 -0.021 0.000 0.826 160 A HN 0.436 8.586 8.150 -0.000 0.000 0.444 161 P HA -0.072 4.348 4.420 -0.000 0.000 0.221 161 P C 1.698 178.988 177.300 -0.017 0.000 1.150 161 P CA 0.487 63.581 63.100 -0.010 0.000 0.800 161 P CB -0.097 31.614 31.700 0.020 0.000 0.787 162 L N -0.522 120.693 121.223 -0.013 0.000 2.017 162 L HA -0.129 4.553 4.340 0.570 0.000 0.208 162 L C 2.192 179.034 176.870 -0.047 0.000 1.073 162 L CA 1.772 56.614 54.840 0.004 0.000 0.745 162 L CB -0.707 41.367 42.059 0.024 0.000 0.894 162 L HN -0.112 8.118 8.230 -0.000 0.000 0.432 163 V N -0.237 119.631 119.914 -0.078 0.000 2.535 163 V HA -0.241 4.221 4.120 0.570 0.000 0.246 163 V C 2.560 178.560 176.094 -0.156 0.000 1.045 163 V CA 1.868 64.080 62.300 -0.147 0.000 1.058 163 V CB -0.115 31.616 31.823 -0.153 0.000 0.689 163 V HN 0.518 8.708 8.190 -0.000 0.000 0.461 164 K N 1.219 121.554 120.400 -0.107 0.000 1.988 164 K HA -0.150 4.512 4.320 0.570 0.000 0.221 164 K C -0.345 176.196 176.600 -0.100 0.000 1.053 164 K CA 2.444 58.674 56.287 -0.095 0.000 0.959 164 K CB -1.346 31.114 32.500 -0.066 0.000 0.728 164 K HN 0.453 8.703 8.250 -0.000 0.000 0.447 165 P HA -0.135 4.285 4.420 -0.000 0.000 0.228 165 P C 1.159 178.402 177.300 -0.094 0.000 1.151 165 P CA 1.229 64.277 63.100 -0.087 0.000 0.770 165 P CB 0.005 31.651 31.700 -0.089 0.000 0.786 166 L N -0.733 120.415 121.223 -0.125 0.000 2.127 166 L HA -0.031 4.650 4.340 0.570 0.000 0.203 166 L C 2.539 179.312 176.870 -0.163 0.000 1.080 166 L CA 1.162 55.923 54.840 -0.131 0.000 0.768 166 L CB -0.987 40.955 42.059 -0.196 0.000 0.924 166 L HN -0.010 8.220 8.230 -0.000 0.000 0.444 167 N N 0.266 118.843 118.700 -0.205 0.000 2.120 167 N HA -0.209 4.873 4.740 0.570 0.000 0.188 167 N C 1.459 176.912 175.510 -0.094 0.000 1.024 167 N CA 1.495 54.445 53.050 -0.166 0.000 0.852 167 N CB 0.027 38.418 38.487 -0.160 0.000 1.003 167 N HN 0.152 8.532 8.380 -0.000 0.000 0.424 168 D N -0.269 120.082 120.400 -0.082 0.000 2.144 168 D HA -0.054 4.927 4.640 0.570 0.000 0.200 168 D C 1.322 177.597 176.300 -0.042 0.000 0.978 168 D CA 1.076 55.042 54.000 -0.058 0.000 0.833 168 D CB 0.067 40.833 40.800 -0.056 0.000 0.961 168 D HN 0.365 8.735 8.370 -0.000 0.000 0.470 169 K N -0.846 119.530 120.400 -0.040 0.000 2.360 169 K HA 0.275 4.936 4.320 0.570 0.000 0.196 169 K C 1.456 178.053 176.600 -0.004 0.000 1.049 169 K CA 0.027 56.300 56.287 -0.023 0.000 1.049 169 K CB 1.496 33.980 32.500 -0.025 0.000 0.881 169 K HN 0.107 8.357 8.250 -0.000 0.000 0.542 170 I N -0.706 119.865 120.570 0.002 0.000 4.228 170 I HA 0.119 4.631 4.170 0.570 0.000 0.298 170 I C 0.245 176.383 176.117 0.036 0.000 1.206 170 I CA 0.140 61.463 61.300 0.038 0.000 1.322 170 I CB 1.321 39.378 38.000 0.095 0.000 1.411 170 I HN 0.126 8.336 8.210 -0.000 0.000 0.454 171 G N 2.480 111.279 108.800 -0.002 0.000 2.895 171 G HA2 -0.142 4.160 3.960 0.570 0.000 0.686 171 G HA3 -0.142 4.160 3.960 0.570 0.000 0.686 171 G C -1.132 173.773 174.900 0.008 0.000 1.108 171 G CA -0.646 44.447 45.100 -0.013 0.000 0.761 171 G HN 0.212 8.502 8.290 -0.000 0.000 0.611 172 L N 1.477 122.670 121.223 -0.050 0.000 2.377 172 L HA 0.662 5.344 4.340 0.570 0.000 0.270 172 L C 1.175 178.053 176.870 0.012 0.000 0.991 172 L CA -0.693 54.116 54.840 -0.051 0.000 0.851 172 L CB 1.403 43.270 42.059 -0.320 0.000 1.218 172 L HN 0.798 9.028 8.230 -0.000 0.000 0.420 173 E N 2.071 122.319 120.200 0.080 0.000 2.028 173 E HA -0.021 4.671 4.350 0.570 0.000 0.191 173 E C 0.054 176.684 176.600 0.050 0.000 0.988 173 E CA 1.768 58.201 56.400 0.056 0.000 0.799 173 E CB 0.314 30.052 29.700 0.063 0.000 0.755 173 E HN 0.718 9.078 8.360 -0.000 0.000 0.447 174 T N -3.478 111.127 114.554 0.084 0.000 2.840 174 T HA 0.722 5.414 4.350 0.570 0.000 0.317 174 T C -0.205 174.572 174.700 0.128 0.000 1.401 174 T CA -0.645 61.499 62.100 0.073 0.000 1.028 174 T CB 1.566 70.467 68.868 0.056 0.000 1.317 174 T HN 0.188 8.428 8.240 -0.000 0.000 0.495 175 G N 0.565 109.424 108.800 0.098 0.000 2.620 175 G HA2 0.688 4.990 3.960 0.570 0.000 0.301 175 G HA3 0.688 4.990 3.960 0.570 0.000 0.301 175 G C -1.665 173.282 174.900 0.078 0.000 1.347 175 G CA -0.996 44.183 45.100 0.133 0.000 0.971 175 G HN 0.850 9.140 8.290 -0.000 0.000 0.488 176 L N 1.451 122.719 121.223 0.075 0.000 2.362 176 L HA 0.680 5.362 4.340 0.570 0.000 0.271 176 L C -0.031 176.848 176.870 0.015 0.000 1.002 176 L CA -0.822 54.047 54.840 0.047 0.000 0.818 176 L CB 2.472 44.565 42.059 0.055 0.000 1.298 176 L HN 0.517 8.747 8.230 -0.000 0.000 0.420 177 M N 1.871 121.458 119.600 -0.021 0.000 2.383 177 M HA 0.543 5.365 4.480 0.570 0.000 0.325 177 M C -1.400 174.774 176.300 -0.211 0.000 1.092 177 M CA -0.086 55.167 55.300 -0.078 0.000 0.961 177 M CB 2.100 34.666 32.600 -0.057 0.000 1.672 177 M HN 0.524 8.814 8.290 -0.000 0.000 0.438 178 T N 2.539 116.947 114.554 -0.243 0.000 2.809 178 T HA 0.314 5.005 4.350 0.570 0.000 0.284 178 T C -0.570 174.018 174.700 -0.186 0.000 0.992 178 T CA -0.391 61.489 62.100 -0.366 0.000 0.957 178 T CB 1.329 69.966 68.868 -0.386 0.000 0.942 178 T HN 0.710 8.950 8.240 -0.000 0.000 0.439 179 T N 4.024 118.507 114.554 -0.119 0.000 2.744 179 T HA 0.551 5.242 4.350 0.570 0.000 0.291 179 T C -0.053 174.664 174.700 0.029 0.000 0.957 179 T CA -0.661 61.446 62.100 0.011 0.000 1.002 179 T CB -0.274 68.686 68.868 0.154 0.000 0.919 179 T HN 0.443 8.683 8.240 -0.000 0.000 0.468 180 I N 6.502 127.072 120.570 0.001 0.000 2.301 180 I HA 0.318 4.830 4.170 0.570 0.000 0.292 180 I C 0.322 176.459 176.117 0.032 0.000 1.046 180 I CA -0.609 60.699 61.300 0.014 0.000 1.282 180 I CB 0.406 38.390 38.000 -0.027 0.000 1.409 180 I HN 0.537 8.747 8.210 -0.000 0.000 0.484 181 H N 5.848 124.899 119.070 -0.033 0.000 2.600 181 H HA 0.602 5.494 4.556 0.561 0.000 0.357 181 H C -0.593 174.699 175.328 -0.061 0.000 1.106 181 H CA -0.822 55.192 56.048 -0.057 0.000 1.193 181 H CB 2.004 31.761 29.762 -0.010 0.000 1.594 181 H HN 0.690 8.970 8.280 -0.000 0.000 0.526 182 A N 4.138 127.011 122.820 0.089 0.000 2.507 182 A HA 0.157 4.819 4.320 0.570 0.000 0.235 182 A C -0.399 177.293 177.584 0.180 0.000 1.070 182 A CA -0.099 51.944 52.037 0.009 0.000 0.768 182 A CB -0.472 18.441 19.000 -0.145 0.000 1.011 182 A HN 0.628 8.777 8.150 -0.000 0.000 0.502 183 Y N 0.469 120.835 120.300 0.111 0.000 2.357 183 Y HA 0.529 5.084 4.550 0.008 0.000 0.340 183 Y C 0.736 176.681 175.900 0.076 0.000 1.260 183 Y CA -0.503 57.639 58.100 0.070 0.000 1.425 183 Y CB -0.243 38.242 38.460 0.043 0.000 1.326 183 Y HN 0.795 9.075 8.280 -0.000 0.000 0.580 184 T N -2.045 112.680 114.554 0.285 0.000 2.864 184 T HA 0.333 5.025 4.350 0.570 0.000 0.289 184 T C 0.233 175.027 174.700 0.157 0.000 1.082 184 T CA -1.025 61.194 62.100 0.198 0.000 1.009 184 T CB 1.320 70.255 68.868 0.110 0.000 1.234 184 T HN 0.568 8.808 8.240 -0.000 0.000 0.526 185 N N 1.082 119.860 118.700 0.130 0.000 2.550 185 N HA -0.034 5.047 4.740 0.570 0.000 0.186 185 N C 1.270 176.836 175.510 0.094 0.000 1.110 185 N CA 0.773 53.887 53.050 0.107 0.000 0.912 185 N CB -0.231 38.321 38.487 0.109 0.000 0.968 185 N HN 0.746 9.126 8.380 -0.000 0.000 0.448 186 D N -0.704 119.753 120.400 0.095 0.000 2.347 186 D HA -0.090 4.892 4.640 0.570 0.000 0.215 186 D C 0.584 177.005 176.300 0.201 0.000 0.976 186 D CA 0.359 54.437 54.000 0.130 0.000 0.884 186 D CB 0.151 41.026 40.800 0.124 0.000 0.915 186 D HN 0.281 8.651 8.370 -0.000 0.000 0.526 187 Q N 0.385 120.248 119.800 0.104 0.000 2.397 187 Q HA 0.388 5.070 4.340 0.570 0.000 0.193 187 Q C 0.235 176.262 176.000 0.046 0.000 1.083 187 Q CA -0.640 55.190 55.803 0.045 0.000 1.108 187 Q CB 1.888 30.620 28.738 -0.008 0.000 1.172 187 Q HN 0.132 8.402 8.270 -0.000 0.000 0.617 188 V N -2.411 117.502 119.914 -0.003 0.000 3.001 188 V HA 0.332 4.794 4.120 0.570 0.000 0.314 188 V C 0.282 176.341 176.094 -0.059 0.000 1.099 188 V CA -0.722 61.577 62.300 -0.002 0.000 0.989 188 V CB 1.252 33.094 31.823 0.032 0.000 1.040 188 V HN 0.787 8.977 8.190 -0.000 0.000 0.434 189 L N 0.941 122.135 121.223 -0.048 0.000 2.102 189 L HA 0.251 4.933 4.340 0.570 0.000 0.202 189 L C 1.339 178.177 176.870 -0.054 0.000 1.076 189 L CA 1.843 56.644 54.840 -0.064 0.000 0.761 189 L CB 0.225 42.258 42.059 -0.043 0.000 0.921 189 L HN 0.974 9.204 8.230 -0.000 0.000 0.444 190 T N -1.272 113.256 114.554 -0.043 0.000 2.912 190 T HA 0.208 4.900 4.350 0.570 0.000 0.299 190 T C -1.334 173.347 174.700 -0.032 0.000 1.052 190 T CA -0.924 61.141 62.100 -0.058 0.000 0.996 190 T CB 1.115 69.943 68.868 -0.067 0.000 1.070 190 T HN -0.073 8.167 8.240 -0.000 0.000 0.465 191 D N 2.300 122.677 120.400 -0.038 0.000 2.662 191 D HA 0.311 5.292 4.640 0.570 0.000 0.237 191 D C -0.069 176.235 176.300 0.007 0.000 1.154 191 D CA 0.839 54.828 54.000 -0.019 0.000 0.861 191 D CB 0.391 41.178 40.800 -0.023 0.000 1.146 191 D HN 0.351 8.721 8.370 -0.000 0.000 0.518 192 V N 3.111 123.042 119.914 0.029 0.000 3.242 192 V HA 0.232 4.693 4.120 0.570 0.000 0.298 192 V C -1.349 174.809 176.094 0.106 0.000 1.352 192 V CA -1.205 61.136 62.300 0.070 0.000 1.052 192 V CB 1.772 33.638 31.823 0.072 0.000 1.101 192 V HN 0.521 8.711 8.190 -0.000 0.000 0.446 193 Y N 4.716 125.038 120.300 0.037 0.000 2.969 193 Y HA 0.230 5.122 4.550 0.570 0.000 0.339 193 Y C -0.222 175.733 175.900 0.091 0.000 1.272 193 Y CA 1.326 59.454 58.100 0.046 0.000 1.577 193 Y CB 0.019 38.488 38.460 0.016 0.000 1.234 193 Y HN 0.814 9.094 8.280 -0.000 0.000 0.590 194 H N 5.546 124.023 119.070 -0.988 0.000 3.046 194 H HA 0.118 5.015 4.556 0.568 0.000 0.363 194 H C 0.328 175.091 175.328 -0.941 0.000 1.203 194 H CA -0.060 55.465 56.048 -0.872 0.000 1.169 194 H CB 1.746 31.305 29.762 -0.338 0.000 1.851 194 H HN 0.877 9.157 8.280 -0.000 0.000 0.546 195 E N 1.827 121.757 120.200 -0.450 0.000 2.204 195 E HA -0.120 4.572 4.350 0.570 0.000 0.194 195 E C -0.447 176.157 176.600 0.006 0.000 0.989 195 E CA 0.708 57.016 56.400 -0.154 0.000 0.824 195 E CB 0.361 30.039 29.700 -0.037 0.000 0.756 195 E HN 0.377 8.737 8.360 -0.000 0.000 0.477 196 D N -0.307 120.188 120.400 0.159 0.000 2.198 196 D HA 0.122 5.104 4.640 0.570 0.000 0.245 196 D C 0.414 176.641 176.300 -0.120 0.000 1.079 196 D CA -0.536 53.446 54.000 -0.031 0.000 0.854 196 D CB 1.350 42.090 40.800 -0.101 0.000 1.148 196 D HN -0.080 8.290 8.370 -0.000 0.000 0.456 197 L N 3.239 124.403 121.223 -0.098 0.000 2.395 197 L HA 0.130 4.811 4.340 0.570 0.000 0.218 197 L C 2.119 178.926 176.870 -0.104 0.000 1.130 197 L CA 1.137 55.923 54.840 -0.091 0.000 0.826 197 L CB -0.478 41.546 42.059 -0.057 0.000 0.941 197 L HN 0.507 8.737 8.230 -0.000 0.000 0.451 198 R N -1.115 119.311 120.500 -0.124 0.000 2.112 198 R HA 0.075 4.757 4.340 0.570 0.000 0.216 198 R C 2.060 178.257 176.300 -0.172 0.000 1.080 198 R CA 0.360 56.390 56.100 -0.116 0.000 0.996 198 R CB -0.078 30.169 30.300 -0.090 0.000 0.902 198 R HN 0.252 8.522 8.270 -0.000 0.000 0.449 199 R N 0.538 120.854 120.500 -0.306 0.000 2.280 199 R HA 0.065 4.747 4.340 0.570 0.000 0.207 199 R C 1.745 177.781 176.300 -0.439 0.000 1.043 199 R CA 0.744 56.558 56.100 -0.477 0.000 1.006 199 R CB 0.049 29.824 30.300 -0.874 0.000 0.885 199 R HN 0.125 8.395 8.270 -0.000 0.000 0.467 200 A N 1.050 123.702 122.820 -0.280 0.000 2.235 200 A HA 0.010 4.672 4.320 0.570 0.000 0.208 200 A C 0.370 177.918 177.584 -0.061 0.000 1.172 200 A CA 0.390 52.370 52.037 -0.095 0.000 0.786 200 A CB 0.073 19.032 19.000 -0.069 0.000 0.804 200 A HN -0.007 8.143 8.150 -0.000 0.000 0.479 201 R N 0.219 120.672 120.500 -0.080 0.000 2.474 201 R HA 0.305 4.987 4.340 0.570 0.000 0.295 201 R C 0.103 176.378 176.300 -0.042 0.000 0.980 201 R CA -0.393 55.677 56.100 -0.049 0.000 0.934 201 R CB 0.532 30.808 30.300 -0.041 0.000 1.101 201 R HN 0.189 8.459 8.270 -0.000 0.000 0.469 202 S N 1.477 117.156 115.700 -0.034 0.000 3.074 202 S HA -0.076 4.735 4.470 0.570 0.000 0.359 202 S C 1.453 176.056 174.600 0.006 0.000 1.207 202 S CA 0.340 58.525 58.200 -0.026 0.000 1.061 202 S CB 0.148 63.318 63.200 -0.050 0.000 0.769 202 S HN 0.638 8.948 8.310 -0.000 0.000 0.512 203 A N 4.481 127.276 122.820 -0.043 0.000 2.015 203 A HA -0.032 4.630 4.320 0.570 0.000 0.219 203 A C 2.264 179.868 177.584 0.034 0.000 1.163 203 A CA 1.734 53.748 52.037 -0.037 0.000 0.646 203 A CB -1.020 17.867 19.000 -0.189 0.000 0.806 203 A HN 1.043 9.193 8.150 -0.000 0.000 0.448 204 T N -4.637 109.939 114.554 0.037 0.000 3.088 204 T HA 0.021 4.712 4.350 0.570 0.000 0.259 204 T C 1.111 175.866 174.700 0.092 0.000 1.122 204 T CA 1.458 63.627 62.100 0.114 0.000 1.095 204 T CB -0.312 68.639 68.868 0.139 0.000 0.930 204 T HN 0.570 8.810 8.240 -0.000 0.000 0.508 205 H N -0.232 118.851 119.070 0.022 0.000 3.058 205 H HA 0.568 5.464 4.556 0.567 0.000 0.266 205 H C -0.083 175.260 175.328 0.026 0.000 1.135 205 H CA -0.467 55.596 56.048 0.024 0.000 1.174 205 H CB 0.944 30.711 29.762 0.008 0.000 1.581 205 H HN 0.221 8.501 8.280 -0.000 0.000 0.553 206 S N 0.216 115.990 115.700 0.122 0.000 2.588 206 S HA 0.315 5.126 4.470 0.570 0.000 0.275 206 S C -0.929 173.712 174.600 0.070 0.000 1.130 206 S CA -1.026 57.222 58.200 0.080 0.000 0.855 206 S CB 2.308 65.545 63.200 0.061 0.000 1.116 206 S HN 0.178 8.488 8.310 -0.000 0.000 0.472 207 Q N 1.325 121.158 119.800 0.055 0.000 2.293 207 Q HA 0.438 5.120 4.340 0.570 0.000 0.263 207 Q C -0.862 175.166 176.000 0.046 0.000 1.002 207 Q CA 0.416 56.251 55.803 0.054 0.000 0.910 207 Q CB 0.512 29.279 28.738 0.048 0.000 1.185 207 Q HN 0.473 8.743 8.270 -0.000 0.000 0.401 208 I N 4.893 125.491 120.570 0.046 0.000 2.420 208 I HA 0.290 4.801 4.170 0.570 0.000 0.282 208 I C -2.394 173.744 176.117 0.035 0.000 1.019 208 I CA -2.530 58.785 61.300 0.024 0.000 1.130 208 I CB 1.698 39.700 38.000 0.004 0.000 1.262 208 I HN 0.277 8.487 8.210 -0.000 0.000 0.454 209 P HA 0.168 4.588 4.420 -0.000 0.000 0.271 209 P C -0.399 176.924 177.300 0.037 0.000 1.216 209 P CA 0.085 63.234 63.100 0.083 0.000 0.771 209 P CB 1.033 32.762 31.700 0.048 0.000 0.864 210 T N 1.851 116.451 114.554 0.076 0.000 2.883 210 T HA 0.343 5.034 4.350 0.570 0.000 0.301 210 T C -0.988 173.751 174.700 0.064 0.000 1.158 210 T CA -0.918 61.194 62.100 0.021 0.000 1.007 210 T CB 0.905 69.759 68.868 -0.023 0.000 1.186 210 T HN 0.143 8.383 8.240 -0.000 0.000 0.499 211 K N 1.800 122.214 120.400 0.023 0.000 2.249 211 K HA 0.538 5.200 4.320 0.570 0.000 0.280 211 K C -0.436 176.188 176.600 0.039 0.000 1.033 211 K CA -0.382 55.931 56.287 0.043 0.000 0.946 211 K CB 1.384 33.889 32.500 0.009 0.000 1.005 211 K HN 0.509 8.759 8.250 -0.000 0.000 0.469 212 T N 0.213 114.805 114.554 0.063 0.000 2.916 212 T HA 0.349 5.041 4.350 0.570 0.000 0.298 212 T C 0.691 175.414 174.700 0.038 0.000 1.031 212 T CA -0.647 61.476 62.100 0.038 0.000 0.993 212 T CB 1.353 70.245 68.868 0.041 0.000 1.045 212 T HN 0.636 8.876 8.240 -0.000 0.000 0.454 213 G N 1.798 110.611 108.800 0.021 0.000 2.920 213 G HA2 0.298 4.600 3.960 0.570 0.000 0.208 213 G HA3 0.298 4.600 3.960 0.570 0.000 0.208 213 G C 1.501 176.409 174.900 0.015 0.000 1.159 213 G CA 0.581 45.692 45.100 0.018 0.000 0.784 213 G HN 0.940 9.230 8.290 -0.000 0.000 0.535 214 A N 0.879 123.707 122.820 0.014 0.000 2.019 214 A HA 0.274 4.936 4.320 0.570 0.000 0.219 214 A C 2.662 180.243 177.584 -0.005 0.000 1.164 214 A CA 1.979 54.018 52.037 0.004 0.000 0.644 214 A CB -0.344 18.657 19.000 0.001 0.000 0.805 214 A HN 0.580 8.730 8.150 -0.000 0.000 0.449 215 A N -0.351 122.470 122.820 0.002 0.000 1.898 215 A HA 0.324 4.986 4.320 0.570 0.000 0.214 215 A C 2.456 180.040 177.584 -0.001 0.000 1.183 215 A CA 1.562 53.596 52.037 -0.003 0.000 0.622 215 A CB -0.852 18.151 19.000 0.006 0.000 0.824 215 A HN 0.927 9.077 8.150 -0.000 0.000 0.444 216 A N 0.026 122.850 122.820 0.007 0.000 1.898 216 A HA 0.222 4.884 4.320 0.570 0.000 0.216 216 A C 2.354 179.937 177.584 -0.000 0.000 1.181 216 A CA 1.751 53.791 52.037 0.005 0.000 0.620 216 A CB -0.898 18.108 19.000 0.010 0.000 0.819 216 A HN 1.063 9.213 8.150 -0.000 0.000 0.442 217 A N -0.510 122.310 122.820 0.001 0.000 2.216 217 A HA 0.175 4.836 4.320 0.570 0.000 0.214 217 A C 1.929 179.511 177.584 -0.004 0.000 1.160 217 A CA 1.202 53.240 52.037 0.001 0.000 0.725 217 A CB -0.655 18.349 19.000 0.007 0.000 0.784 217 A HN 0.332 8.482 8.150 -0.000 0.000 0.472 218 V N -0.151 119.756 119.914 -0.011 0.000 2.490 218 V HA -0.199 4.263 4.120 0.570 0.000 0.250 218 V C 2.801 178.883 176.094 -0.021 0.000 1.061 218 V CA 1.688 63.977 62.300 -0.020 0.000 1.064 218 V CB -1.349 30.455 31.823 -0.032 0.000 0.670 218 V HN 0.606 8.796 8.190 -0.000 0.000 0.461 219 G N 0.467 109.257 108.800 -0.017 0.000 2.513 219 G HA2 -0.284 4.017 3.960 0.570 0.000 0.219 219 G HA3 -0.284 4.017 3.960 0.570 0.000 0.219 219 G C 1.515 176.405 174.900 -0.016 0.000 1.160 219 G CA 1.266 46.356 45.100 -0.017 0.000 0.767 219 G HN 0.515 8.805 8.290 -0.000 0.000 0.571 220 L N 0.664 121.880 121.223 -0.012 0.000 2.265 220 L HA -0.032 4.650 4.340 0.570 0.000 0.215 220 L C 2.820 179.680 176.870 -0.016 0.000 1.117 220 L CA 0.931 55.764 54.840 -0.013 0.000 0.782 220 L CB -0.263 41.791 42.059 -0.008 0.000 0.914 220 L HN 0.340 8.570 8.230 -0.000 0.000 0.441 221 V N -4.310 115.595 119.914 -0.016 0.000 3.085 221 V HA 0.166 4.628 4.120 0.570 0.000 0.245 221 V C 0.866 176.945 176.094 -0.026 0.000 1.114 221 V CA 0.033 62.322 62.300 -0.018 0.000 1.108 221 V CB 0.141 31.959 31.823 -0.008 0.000 0.798 221 V HN 0.154 8.344 8.190 -0.000 0.000 0.471 222 L N 1.570 122.776 121.223 -0.029 0.000 2.408 222 L HA 0.493 5.174 4.340 0.570 0.000 0.257 222 L C -1.881 174.970 176.870 -0.032 0.000 1.053 222 L CA -1.425 53.394 54.840 -0.035 0.000 0.922 222 L CB 1.943 43.975 42.059 -0.044 0.000 1.261 222 L HN 0.021 8.251 8.230 -0.000 0.000 0.458 223 P HA -0.222 4.198 4.420 -0.000 0.000 0.217 223 P C 1.226 178.511 177.300 -0.025 0.000 1.148 223 P CA 1.067 64.152 63.100 -0.024 0.000 0.828 223 P CB 0.164 31.851 31.700 -0.022 0.000 0.783 224 E N 0.081 120.263 120.200 -0.030 0.000 2.401 224 E HA -0.129 4.563 4.350 0.570 0.000 0.199 224 E C 1.020 177.599 176.600 -0.035 0.000 1.023 224 E CA 0.909 57.291 56.400 -0.031 0.000 0.859 224 E CB -0.836 28.843 29.700 -0.036 0.000 0.780 224 E HN 0.344 8.704 8.360 -0.000 0.000 0.523 225 L N 1.245 122.445 121.223 -0.037 0.000 3.017 225 L HA 0.262 4.944 4.340 0.570 0.000 0.255 225 L C 0.288 177.142 176.870 -0.027 0.000 1.247 225 L CA -0.624 54.192 54.840 -0.039 0.000 1.038 225 L CB -0.231 41.795 42.059 -0.055 0.000 1.380 225 L HN -0.067 8.163 8.230 -0.000 0.000 0.548 226 N N 0.642 119.330 118.700 -0.021 0.000 2.454 226 N HA 0.196 5.277 4.740 0.570 0.000 0.260 226 N C 1.377 176.881 175.510 -0.010 0.000 1.218 226 N CA 1.339 54.381 53.050 -0.014 0.000 0.904 226 N CB 0.640 39.120 38.487 -0.011 0.000 1.065 226 N HN 0.324 8.704 8.380 -0.000 0.000 0.462 227 G N 2.411 111.207 108.800 -0.006 0.000 2.196 227 G HA2 -0.345 3.957 3.960 0.570 0.000 0.268 227 G HA3 -0.345 3.957 3.960 0.570 0.000 0.268 227 G C 0.782 175.683 174.900 0.002 0.000 0.975 227 G CA 0.715 45.815 45.100 -0.000 0.000 0.648 227 G HN 0.659 8.949 8.290 -0.000 0.000 0.538 228 K N -0.766 119.632 120.400 -0.004 0.000 2.367 228 K HA 0.425 5.086 4.320 0.570 0.000 0.194 228 K C 0.603 177.205 176.600 0.004 0.000 1.027 228 K CA 0.240 56.527 56.287 -0.001 0.000 1.075 228 K CB 0.439 32.931 32.500 -0.014 0.000 0.845 228 K HN 0.384 8.634 8.250 -0.000 0.000 0.529 229 L N 0.811 122.035 121.223 0.002 0.000 2.410 229 L HA 0.408 5.090 4.340 0.570 0.000 0.270 229 L C -0.964 175.916 176.870 0.016 0.000 0.983 229 L CA -0.876 53.969 54.840 0.007 0.000 0.822 229 L CB 1.869 43.922 42.059 -0.011 0.000 1.285 229 L HN -0.117 8.113 8.230 -0.000 0.000 0.409 230 D N 0.571 120.989 120.400 0.030 0.000 2.636 230 D HA 0.889 5.871 4.640 0.570 0.000 0.275 230 D C -0.448 175.887 176.300 0.057 0.000 1.130 230 D CA 0.084 54.110 54.000 0.044 0.000 1.031 230 D CB 2.819 43.650 40.800 0.052 0.000 1.451 230 D HN 0.722 9.092 8.370 -0.000 0.000 0.505 231 G N -1.018 107.840 108.800 0.098 0.000 2.341 231 G HA2 0.468 4.770 3.960 0.570 0.000 0.293 231 G HA3 0.468 4.770 3.960 0.570 0.000 0.293 231 G C -1.962 173.071 174.900 0.223 0.000 1.298 231 G CA -0.191 44.983 45.100 0.123 0.000 0.868 231 G HN 0.694 8.984 8.290 -0.000 0.000 0.540 232 Y N -2.917 117.389 120.300 0.010 0.000 2.840 232 Y HA 0.886 5.776 4.550 0.568 0.000 0.324 232 Y C -0.148 175.764 175.900 0.021 0.000 1.378 232 Y CA -1.111 56.994 58.100 0.008 0.000 1.077 232 Y CB 0.935 39.395 38.460 -0.000 0.000 1.361 232 Y HN 1.566 9.846 8.280 -0.000 0.000 0.459 233 A N 1.060 123.962 122.820 0.136 0.000 2.355 233 A HA 0.815 5.476 4.320 0.570 0.000 0.324 233 A C -1.390 176.267 177.584 0.122 0.000 1.117 233 A CA -0.907 51.164 52.037 0.057 0.000 0.785 233 A CB 0.808 19.840 19.000 0.055 0.000 1.254 233 A HN 0.671 8.821 8.150 -0.000 0.000 0.453 234 I N 2.757 123.366 120.570 0.065 0.000 2.382 234 I HA 0.293 4.805 4.170 0.570 0.000 0.285 234 I C -0.136 176.028 176.117 0.079 0.000 1.007 234 I CA -0.787 60.565 61.300 0.086 0.000 1.142 234 I CB 1.208 39.249 38.000 0.070 0.000 1.289 234 I HN 0.542 8.752 8.210 -0.000 0.000 0.453 235 R N 5.381 125.922 120.500 0.068 0.000 2.442 235 R HA 0.407 5.088 4.340 0.570 0.000 0.291 235 R C -0.312 176.044 176.300 0.094 0.000 1.069 235 R CA -0.210 55.937 56.100 0.079 0.000 1.022 235 R CB 1.097 31.427 30.300 0.049 0.000 0.976 235 R HN 0.538 8.808 8.270 -0.000 0.000 0.443 236 V N 0.572 120.549 119.914 0.106 0.000 3.126 236 V HA 0.644 5.106 4.120 0.570 0.000 0.314 236 V C -2.463 173.710 176.094 0.131 0.000 1.138 236 V CA -2.594 59.762 62.300 0.093 0.000 1.034 236 V CB 2.432 34.287 31.823 0.053 0.000 1.075 236 V HN 0.473 8.663 8.190 -0.000 0.000 0.442 237 P HA 0.300 4.720 4.420 -0.000 0.000 0.219 237 P C -0.366 176.934 177.300 -0.000 0.000 1.832 237 P CA 0.161 63.400 63.100 0.232 0.000 1.014 237 P CB -0.489 31.318 31.700 0.179 0.000 1.939 238 T N -2.506 111.869 114.554 -0.297 0.000 2.887 238 T HA 0.426 5.117 4.350 0.570 0.000 0.288 238 T C 0.797 174.934 174.700 -0.939 0.000 1.021 238 T CA -0.812 61.040 62.100 -0.413 0.000 1.000 238 T CB 1.542 70.279 68.868 -0.217 0.000 1.034 238 T HN 0.014 8.254 8.240 -0.000 0.000 0.467 239 I N 0.771 120.935 120.570 -0.677 0.000 2.546 239 I HA 0.137 4.649 4.170 0.570 0.000 0.255 239 I C 0.242 176.163 176.117 -0.326 0.000 1.163 239 I CA 0.868 61.822 61.300 -0.578 0.000 1.457 239 I CB 0.025 37.926 38.000 -0.165 0.000 1.092 239 I HN 0.750 8.960 8.210 -0.000 0.000 0.434 240 N N -0.944 117.601 118.700 -0.258 0.000 2.859 240 N HA 0.441 5.523 4.740 0.570 0.000 0.250 240 N C -1.614 173.806 175.510 -0.150 0.000 1.341 240 N CA 0.102 53.054 53.050 -0.164 0.000 0.881 240 N CB 1.840 40.246 38.487 -0.134 0.000 1.516 240 N HN -0.142 8.238 8.380 -0.000 0.000 0.503 241 V N -0.084 119.740 119.914 -0.151 0.000 3.337 241 V HA -0.025 4.437 4.120 0.570 0.000 0.480 241 V C -0.929 175.016 176.094 -0.249 0.000 0.682 241 V CA -0.149 62.060 62.300 -0.152 0.000 2.024 241 V CB -1.328 30.474 31.823 -0.034 0.000 2.475 241 V HN 0.796 8.986 8.190 -0.000 0.000 0.501 242 S N 3.304 118.751 115.700 -0.422 0.000 2.588 242 S HA 0.891 5.702 4.470 0.570 0.000 0.275 242 S C -0.672 173.735 174.600 -0.322 0.000 1.130 242 S CA -0.508 57.351 58.200 -0.569 0.000 0.855 242 S CB 2.646 65.069 63.200 -1.295 0.000 1.116 242 S HN 1.055 9.365 8.310 -0.000 0.000 0.472 243 I N 1.541 122.032 120.570 -0.133 0.000 2.545 243 I HA 0.593 5.105 4.170 0.570 0.000 0.292 243 I C -1.409 174.721 176.117 0.021 0.000 1.040 243 I CA -0.844 60.379 61.300 -0.129 0.000 1.068 243 I CB 1.406 39.072 38.000 -0.556 0.000 1.251 243 I HN 0.385 8.595 8.210 -0.000 0.000 0.424 244 V N 6.547 126.474 119.914 0.022 0.000 2.407 244 V HA 0.304 4.766 4.120 0.570 0.000 0.278 244 V C -0.400 175.610 176.094 -0.140 0.000 1.037 244 V CA -0.277 61.995 62.300 -0.046 0.000 0.900 244 V CB 1.342 33.105 31.823 -0.100 0.000 0.983 244 V HN 0.599 8.789 8.190 -0.000 0.000 0.459 245 D N 5.062 125.386 120.400 -0.126 0.000 2.414 245 D HA 0.374 5.356 4.640 0.570 0.000 0.232 245 D C -1.189 175.066 176.300 -0.075 0.000 1.070 245 D CA -0.400 53.522 54.000 -0.131 0.000 0.839 245 D CB 1.822 42.533 40.800 -0.147 0.000 1.079 245 D HN 0.350 8.720 8.370 -0.000 0.000 0.521 246 L N 2.894 124.103 121.223 -0.024 0.000 2.333 246 L HA 0.475 5.156 4.340 0.570 0.000 0.280 246 L C -1.007 175.912 176.870 0.080 0.000 1.004 246 L CA -0.292 54.577 54.840 0.048 0.000 0.820 246 L CB 1.820 43.944 42.059 0.108 0.000 1.247 246 L HN 0.162 8.392 8.230 -0.000 0.000 0.416 247 S N 5.523 121.262 115.700 0.065 0.000 2.449 247 S HA 0.799 5.610 4.470 0.570 0.000 0.310 247 S C -0.882 173.797 174.600 0.132 0.000 1.096 247 S CA -0.363 57.852 58.200 0.026 0.000 1.095 247 S CB 0.761 63.952 63.200 -0.015 0.000 1.007 247 S HN 0.502 8.812 8.310 -0.000 0.000 0.474 248 F N 0.410 120.357 119.950 -0.005 0.000 2.613 248 F HA 0.709 5.577 4.527 0.568 0.000 0.310 248 F C -1.393 174.407 175.800 0.000 0.000 1.085 248 F CA -1.463 56.535 58.000 -0.002 0.000 0.945 248 F CB 0.716 39.714 39.000 -0.003 0.000 1.298 248 F HN 0.337 8.637 8.300 -0.000 0.000 0.455 249 I N 3.050 123.739 120.570 0.198 0.000 2.325 249 I HA 0.530 5.041 4.170 0.570 0.000 0.291 249 I C 0.267 176.538 176.117 0.257 0.000 1.019 249 I CA -0.808 60.553 61.300 0.101 0.000 1.302 249 I CB 1.239 39.286 38.000 0.079 0.000 1.401 249 I HN 0.897 9.107 8.210 -0.000 0.000 0.485 250 A N 6.547 129.460 122.820 0.154 0.000 2.331 250 A HA 0.316 4.977 4.320 0.570 0.000 0.283 250 A C 1.046 178.707 177.584 0.127 0.000 1.142 250 A CA -0.546 51.638 52.037 0.245 0.000 0.812 250 A CB 0.537 19.642 19.000 0.176 0.000 1.074 250 A HN 0.829 8.979 8.150 -0.000 0.000 0.497 251 K N 0.464 120.932 120.400 0.113 0.000 2.209 251 K HA -0.120 4.542 4.320 0.570 0.000 0.204 251 K C 0.827 177.455 176.600 0.046 0.000 1.048 251 K CA 1.527 57.852 56.287 0.062 0.000 0.940 251 K CB -0.069 32.457 32.500 0.043 0.000 0.729 251 K HN 0.850 9.100 8.250 -0.000 0.000 0.451 252 R N -0.104 120.428 120.500 0.052 0.000 2.922 252 R HA 0.321 5.003 4.340 0.570 0.000 0.256 252 R C -1.287 175.032 176.300 0.033 0.000 1.138 252 R CA -0.971 55.150 56.100 0.035 0.000 0.995 252 R CB 0.474 30.791 30.300 0.029 0.000 1.226 252 R HN -0.307 7.963 8.270 -0.000 0.000 0.481 253 D N -0.158 120.255 120.400 0.022 0.000 2.341 253 D HA 0.429 5.411 4.640 0.570 0.000 0.245 253 D C -0.527 175.785 176.300 0.019 0.000 1.106 253 D CA 0.467 54.476 54.000 0.015 0.000 0.905 253 D CB 1.626 42.432 40.800 0.010 0.000 1.202 253 D HN 0.512 8.882 8.370 -0.000 0.000 0.426 254 T N -0.812 113.750 114.554 0.014 0.000 2.711 254 T HA 0.654 5.346 4.350 0.570 0.000 0.302 254 T C -1.318 173.389 174.700 0.013 0.000 1.373 254 T CA -0.548 61.564 62.100 0.020 0.000 1.000 254 T CB 1.081 69.971 68.868 0.036 0.000 1.483 254 T HN 0.440 8.680 8.240 -0.000 0.000 0.499 255 T N -0.872 113.695 114.554 0.023 0.000 2.887 255 T HA 0.765 5.457 4.350 0.570 0.000 0.292 255 T C 1.391 176.114 174.700 0.040 0.000 1.087 255 T CA -0.060 62.054 62.100 0.024 0.000 1.009 255 T CB 1.242 70.126 68.868 0.027 0.000 1.203 255 T HN 0.733 8.973 8.240 -0.000 0.000 0.518 256 A N 1.000 123.846 122.820 0.042 0.000 1.858 256 A HA 0.226 4.887 4.320 0.570 0.000 0.216 256 A C 2.583 180.227 177.584 0.100 0.000 1.190 256 A CA 2.030 54.110 52.037 0.071 0.000 0.617 256 A CB -1.579 17.455 19.000 0.056 0.000 0.827 256 A HN 1.409 9.559 8.150 -0.000 0.000 0.443 257 A N -0.701 122.168 122.820 0.082 0.000 2.024 257 A HA -0.205 4.457 4.320 0.570 0.000 0.220 257 A C 2.027 179.661 177.584 0.082 0.000 1.164 257 A CA 1.900 53.991 52.037 0.090 0.000 0.643 257 A CB -0.462 18.577 19.000 0.066 0.000 0.806 257 A HN 0.712 8.862 8.150 -0.000 0.000 0.451 258 E N -0.328 119.910 120.200 0.064 0.000 2.051 258 E HA -0.081 4.610 4.350 0.570 0.000 0.189 258 E C 1.914 178.544 176.600 0.050 0.000 0.979 258 E CA 1.081 57.509 56.400 0.047 0.000 0.803 258 E CB -0.068 29.654 29.700 0.036 0.000 0.761 258 E HN 0.299 8.659 8.360 -0.000 0.000 0.451 259 V N 2.452 122.411 119.914 0.074 0.000 2.317 259 V HA -0.333 4.128 4.120 0.570 0.000 0.251 259 V C 2.077 178.203 176.094 0.053 0.000 1.065 259 V CA 2.059 64.408 62.300 0.081 0.000 1.049 259 V CB -0.717 31.193 31.823 0.145 0.000 0.651 259 V HN 0.317 8.507 8.190 -0.000 0.000 0.450 260 N N 0.485 119.281 118.700 0.160 0.000 2.080 260 N HA -0.111 4.971 4.740 0.570 0.000 0.189 260 N C 1.982 177.572 175.510 0.134 0.000 1.036 260 N CA 1.783 55.003 53.050 0.284 0.000 0.846 260 N CB -0.812 37.908 38.487 0.388 0.000 1.015 260 N HN 0.468 8.848 8.380 -0.000 0.000 0.423 261 A N 1.754 124.613 122.820 0.065 0.000 1.903 261 A HA -0.170 4.492 4.320 0.570 0.000 0.219 261 A C 2.339 179.872 177.584 -0.086 0.000 1.191 261 A CA 1.382 53.403 52.037 -0.028 0.000 0.638 261 A CB -0.977 18.019 19.000 -0.006 0.000 0.823 261 A HN 0.288 8.438 8.150 -0.000 0.000 0.451 262 I N -0.977 119.552 120.570 -0.069 0.000 2.335 262 I HA -0.280 4.232 4.170 0.570 0.000 0.251 262 I C 2.592 178.620 176.117 -0.148 0.000 1.129 262 I CA 1.178 62.423 61.300 -0.092 0.000 1.402 262 I CB -0.293 37.666 38.000 -0.070 0.000 1.069 262 I HN 0.343 8.553 8.210 -0.000 0.000 0.424 263 M N -0.022 119.448 119.600 -0.218 0.000 2.248 263 M HA -0.123 4.698 4.480 0.570 0.000 0.265 263 M C 2.279 178.461 176.300 -0.197 0.000 1.079 263 M CA 1.355 56.474 55.300 -0.300 0.000 1.150 263 M CB -0.866 31.248 32.600 -0.810 0.000 1.366 263 M HN 0.133 8.423 8.290 -0.000 0.000 0.433 264 K N 0.784 120.970 120.400 -0.356 0.000 1.991 264 K HA -0.241 4.420 4.320 0.570 0.000 0.212 264 K C 1.927 178.352 176.600 -0.292 0.000 1.049 264 K CA 1.984 57.875 56.287 -0.660 0.000 0.932 264 K CB -0.176 31.753 32.500 -0.952 0.000 0.717 264 K HN 0.291 8.541 8.250 -0.000 0.000 0.441 265 E N -0.229 119.847 120.200 -0.207 0.000 2.086 265 E HA -0.260 4.431 4.350 0.570 0.000 0.200 265 E C 1.727 178.274 176.600 -0.088 0.000 1.012 265 E CA 1.510 57.837 56.400 -0.122 0.000 0.812 265 E CB -0.206 29.437 29.700 -0.094 0.000 0.743 265 E HN 0.458 8.818 8.360 -0.000 0.000 0.453 266 A N 0.535 123.302 122.820 -0.089 0.000 2.015 266 A HA -0.158 4.504 4.320 0.570 0.000 0.219 266 A C 2.270 179.839 177.584 -0.024 0.000 1.163 266 A CA 1.823 53.826 52.037 -0.057 0.000 0.646 266 A CB -0.570 18.389 19.000 -0.068 0.000 0.806 266 A HN 0.454 8.604 8.150 -0.000 0.000 0.448 267 S N -0.179 115.510 115.700 -0.018 0.000 2.414 267 S HA -0.064 4.747 4.470 0.570 0.000 0.227 267 S C 1.136 175.752 174.600 0.026 0.000 1.022 267 S CA 1.051 59.275 58.200 0.039 0.000 0.958 267 S CB -0.217 63.048 63.200 0.108 0.000 0.797 267 S HN 0.521 8.831 8.310 -0.000 0.000 0.493 268 E N 1.447 121.639 120.200 -0.013 0.000 2.476 268 E HA 0.298 4.989 4.350 0.570 0.000 0.191 268 E C 1.029 177.625 176.600 -0.006 0.000 1.064 268 E CA 0.426 56.821 56.400 -0.008 0.000 0.866 268 E CB 0.318 29.999 29.700 -0.031 0.000 0.952 268 E HN 0.657 9.017 8.360 -0.000 0.000 0.492 269 G N 0.554 109.350 108.800 -0.006 0.000 3.407 269 G HA2 0.378 4.680 3.960 0.570 0.000 0.187 269 G HA3 0.378 4.680 3.960 0.570 0.000 0.187 269 G C 1.096 176.000 174.900 0.005 0.000 1.262 269 G CA 0.170 45.267 45.100 -0.006 0.000 0.808 269 G HN 0.126 8.416 8.290 -0.000 0.000 0.687 270 A N -0.328 122.492 122.820 -0.001 0.000 1.892 270 A HA 0.050 4.712 4.320 0.570 0.000 0.218 270 A C 2.189 179.787 177.584 0.023 0.000 1.188 270 A CA 1.489 53.530 52.037 0.005 0.000 0.631 270 A CB -0.673 18.321 19.000 -0.009 0.000 0.822 270 A HN 0.342 8.492 8.150 -0.000 0.000 0.447 271 L N -0.462 120.775 121.223 0.023 0.000 2.627 271 L HA 0.104 4.786 4.340 0.570 0.000 0.232 271 L C 0.884 177.791 176.870 0.061 0.000 1.150 271 L CA -0.271 54.595 54.840 0.043 0.000 0.917 271 L CB -0.351 41.728 42.059 0.035 0.000 1.104 271 L HN 0.287 8.517 8.230 -0.000 0.000 0.445 272 K N 0.711 121.143 120.400 0.053 0.000 2.550 272 K HA 0.051 4.713 4.320 0.570 0.000 0.280 272 K C 1.400 178.045 176.600 0.076 0.000 0.987 272 K CA 1.116 57.440 56.287 0.061 0.000 1.048 272 K CB 0.267 32.795 32.500 0.046 0.000 0.879 272 K HN 0.231 8.481 8.250 -0.000 0.000 0.491 273 G N 3.608 112.458 108.800 0.083 0.000 2.550 273 G HA2 -0.342 3.960 3.960 0.570 0.000 0.233 273 G HA3 -0.342 3.960 3.960 0.570 0.000 0.233 273 G C 0.802 175.761 174.900 0.098 0.000 1.170 273 G CA 0.472 45.624 45.100 0.086 0.000 0.693 273 G HN 0.579 8.869 8.290 -0.000 0.000 0.512 274 I N 0.518 121.150 120.570 0.104 0.000 2.333 274 I HA 0.309 4.821 4.170 0.570 0.000 0.246 274 I C 1.121 177.307 176.117 0.114 0.000 1.106 274 I CA 0.919 62.285 61.300 0.110 0.000 1.411 274 I CB 0.014 38.089 38.000 0.124 0.000 1.082 274 I HN 0.345 8.555 8.210 -0.000 0.000 0.420 275 L N 0.412 121.703 121.223 0.113 0.000 2.305 275 L HA 0.722 5.404 4.340 0.570 0.000 0.284 275 L C 0.165 177.135 176.870 0.167 0.000 1.013 275 L CA -0.243 54.675 54.840 0.131 0.000 0.819 275 L CB 0.932 43.051 42.059 0.100 0.000 1.227 275 L HN 0.050 8.280 8.230 -0.000 0.000 0.417 276 G N 3.063 111.990 108.800 0.213 0.000 2.491 276 G HA2 0.412 4.713 3.960 0.570 0.000 0.327 276 G HA3 0.412 4.713 3.960 0.570 0.000 0.327 276 G C -2.039 173.076 174.900 0.359 0.000 1.189 276 G CA -0.357 44.899 45.100 0.259 0.000 0.956 276 G HN 0.605 8.895 8.290 -0.000 0.000 0.491 277 Y N 0.582 121.015 120.300 0.221 0.000 2.329 277 Y HA 0.498 5.391 4.550 0.571 0.000 0.328 277 Y C -0.625 175.423 175.900 0.246 0.000 0.992 277 Y CA -1.149 57.112 58.100 0.268 0.000 1.151 277 Y CB 1.768 40.353 38.460 0.208 0.000 1.150 277 Y HN 0.577 8.857 8.280 -0.000 0.000 0.450 278 N N 3.856 122.468 118.700 -0.147 0.000 2.392 278 N HA 0.297 5.379 4.740 0.570 0.000 0.283 278 N C -0.357 174.994 175.510 -0.265 0.000 1.003 278 N CA -0.278 52.731 53.050 -0.068 0.000 0.892 278 N CB 1.219 39.809 38.487 0.171 0.000 1.193 278 N HN 0.767 9.147 8.380 -0.000 0.000 0.487 279 E N 1.349 121.488 120.200 -0.102 0.000 2.562 279 E HA 0.242 4.934 4.350 0.570 0.000 0.214 279 E C -0.364 176.243 176.600 0.011 0.000 0.979 279 E CA -0.356 56.015 56.400 -0.049 0.000 1.002 279 E CB 0.880 30.613 29.700 0.055 0.000 1.048 279 E HN 0.580 8.940 8.360 -0.000 0.000 0.488 280 A N 2.699 125.534 122.820 0.025 0.000 2.302 280 A HA 0.414 5.075 4.320 0.570 0.000 0.285 280 A C -2.325 175.272 177.584 0.022 0.000 1.105 280 A CA -1.419 50.629 52.037 0.018 0.000 0.816 280 A CB 0.069 19.068 19.000 -0.002 0.000 1.067 280 A HN -0.156 7.994 8.150 -0.000 0.000 0.489 281 P HA 0.323 4.743 4.420 -0.000 0.000 0.231 281 P C -0.899 176.396 177.300 -0.007 0.000 1.811 281 P CA 0.297 63.406 63.100 0.015 0.000 1.051 281 P CB -0.277 31.427 31.700 0.006 0.000 1.951 282 L N 1.581 122.805 121.223 0.002 0.000 2.332 282 L HA 0.696 5.378 4.340 0.570 0.000 0.269 282 L C 0.849 177.667 176.870 -0.088 0.000 1.016 282 L CA -1.334 53.443 54.840 -0.104 0.000 0.809 282 L CB 1.779 43.685 42.059 -0.255 0.000 1.280 282 L HN 0.011 8.241 8.230 -0.000 0.000 0.447 283 V N -2.576 117.208 119.914 -0.216 0.000 3.158 283 V HA 0.413 4.874 4.120 0.570 0.000 0.315 283 V C 0.953 176.790 176.094 -0.429 0.000 1.148 283 V CA 0.009 62.174 62.300 -0.225 0.000 1.042 283 V CB 1.470 33.232 31.823 -0.102 0.000 1.101 283 V HN 0.919 9.109 8.190 -0.000 0.000 0.448 284 S N 0.726 116.184 115.700 -0.404 0.000 2.387 284 S HA -0.225 4.586 4.470 0.570 0.000 0.230 284 S C 1.766 176.249 174.600 -0.195 0.000 1.035 284 S CA 2.038 60.011 58.200 -0.379 0.000 1.014 284 S CB -0.881 62.304 63.200 -0.025 0.000 0.836 284 S HN 0.807 9.117 8.310 -0.000 0.000 0.466 285 I N 1.900 122.357 120.570 -0.188 0.000 2.756 285 I HA -0.136 4.375 4.170 0.570 0.000 0.262 285 I C 1.028 177.006 176.117 -0.232 0.000 1.225 285 I CA 1.231 62.431 61.300 -0.168 0.000 1.472 285 I CB -0.296 37.618 38.000 -0.143 0.000 1.094 285 I HN 0.211 8.421 8.210 -0.000 0.000 0.454 286 D N 0.534 120.706 120.400 -0.380 0.000 2.310 286 D HA -0.146 4.836 4.640 0.570 0.000 0.212 286 D C 1.339 177.210 176.300 -0.714 0.000 0.965 286 D CA 1.267 54.922 54.000 -0.576 0.000 0.879 286 D CB -0.068 40.269 40.800 -0.773 0.000 0.921 286 D HN 0.370 8.740 8.370 -0.000 0.000 0.510 287 F N -0.005 119.798 119.950 -0.244 0.000 2.664 287 F HA 0.160 5.026 4.527 0.564 0.000 0.303 287 F C 0.752 176.526 175.800 -0.043 0.000 1.092 287 F CA -0.776 57.141 58.000 -0.139 0.000 1.305 287 F CB -0.401 38.494 39.000 -0.176 0.000 1.054 287 F HN -0.292 8.008 8.300 -0.000 0.000 0.565 288 N N 0.274 118.986 118.700 0.021 0.000 2.452 288 N HA 0.009 5.090 4.740 0.570 0.000 0.266 288 N C 0.398 175.962 175.510 0.089 0.000 1.209 288 N CA 0.670 53.742 53.050 0.036 0.000 0.929 288 N CB -0.045 38.404 38.487 -0.063 0.000 1.063 288 N HN 0.278 8.658 8.380 -0.000 0.000 0.472 289 H N 0.583 119.634 119.070 -0.031 0.000 3.132 289 H HA -0.211 4.685 4.556 0.567 0.000 0.237 289 H C -0.704 174.606 175.328 -0.031 0.000 1.189 289 H CA 0.799 56.660 56.048 -0.311 0.000 1.129 289 H CB -1.542 27.989 29.762 -0.384 0.000 1.225 289 H HN 0.595 8.875 8.280 -0.000 0.000 0.323 290 N N 1.168 119.993 118.700 0.209 0.000 2.422 290 N HA 0.092 5.174 4.740 0.570 0.000 0.264 290 N C -1.568 174.194 175.510 0.419 0.000 1.063 290 N CA -1.113 52.107 53.050 0.284 0.000 0.959 290 N CB 1.252 39.914 38.487 0.292 0.000 1.087 290 N HN 0.180 8.560 8.380 -0.000 0.000 0.483 291 P HA 0.035 4.455 4.420 -0.000 0.000 0.241 291 P C 0.099 177.487 177.300 0.146 0.000 1.191 291 P CA 0.122 63.365 63.100 0.239 0.000 0.771 291 P CB 0.061 31.845 31.700 0.140 0.000 0.929 292 A N 0.427 123.363 122.820 0.193 0.000 2.507 292 A HA 0.147 4.808 4.320 0.570 0.000 0.235 292 A C 1.661 179.351 177.584 0.177 0.000 1.070 292 A CA 0.290 52.430 52.037 0.172 0.000 0.768 292 A CB -0.086 19.034 19.000 0.201 0.000 1.011 292 A HN 0.108 8.258 8.150 -0.000 0.000 0.502 293 S N -0.234 115.552 115.700 0.144 0.000 2.446 293 S HA 0.146 4.957 4.470 0.570 0.000 0.225 293 S C 0.744 175.425 174.600 0.136 0.000 1.016 293 S CA 1.124 59.410 58.200 0.143 0.000 0.943 293 S CB -0.047 63.215 63.200 0.103 0.000 0.786 293 S HN 0.911 9.221 8.310 -0.000 0.000 0.508 294 S N 0.677 116.461 115.700 0.139 0.000 2.626 294 S HA 0.411 5.223 4.470 0.570 0.000 0.275 294 S C -1.351 173.348 174.600 0.165 0.000 1.175 294 S CA -0.555 57.717 58.200 0.120 0.000 0.982 294 S CB 1.414 64.652 63.200 0.062 0.000 1.093 294 S HN 0.044 8.354 8.310 -0.000 0.000 0.472 295 T N 5.226 119.881 114.554 0.169 0.000 2.842 295 T HA 0.359 5.050 4.350 0.570 0.000 0.308 295 T C -0.491 174.306 174.700 0.161 0.000 1.041 295 T CA -0.280 61.935 62.100 0.192 0.000 0.964 295 T CB 0.004 68.992 68.868 0.199 0.000 0.972 295 T HN 0.539 8.779 8.240 -0.000 0.000 0.460 296 F N 3.213 123.201 119.950 0.064 0.000 2.471 296 F HA 0.386 5.256 4.527 0.571 0.000 0.353 296 F C 0.286 176.065 175.800 -0.035 0.000 1.113 296 F CA -0.463 57.543 58.000 0.010 0.000 1.262 296 F CB 0.619 39.665 39.000 0.076 0.000 1.146 296 F HN 0.335 8.635 8.300 -0.000 0.000 0.578 297 D N 4.795 124.606 120.400 -0.982 0.000 2.464 297 D HA 0.352 5.333 4.640 0.570 0.000 0.243 297 D C 0.606 176.342 176.300 -0.940 0.000 1.104 297 D CA -0.022 53.572 54.000 -0.676 0.000 0.883 297 D CB 1.319 41.950 40.800 -0.282 0.000 1.050 297 D HN 0.707 9.077 8.370 -0.000 0.000 0.524 298 A N 2.566 124.950 122.820 -0.726 0.000 2.024 298 A HA -0.162 4.500 4.320 0.570 0.000 0.220 298 A C 2.041 179.528 177.584 -0.163 0.000 1.164 298 A CA 2.055 53.916 52.037 -0.294 0.000 0.643 298 A CB -0.737 18.213 19.000 -0.083 0.000 0.806 298 A HN 0.620 8.770 8.150 -0.000 0.000 0.451 299 T N -2.067 112.391 114.554 -0.161 0.000 2.962 299 T HA 0.011 4.703 4.350 0.570 0.000 0.270 299 T C 1.355 176.006 174.700 -0.082 0.000 1.088 299 T CA 1.357 63.414 62.100 -0.071 0.000 1.127 299 T CB -0.385 68.471 68.868 -0.020 0.000 0.883 299 T HN 0.341 8.581 8.240 -0.000 0.000 0.493 300 L N 1.130 122.257 121.223 -0.159 0.000 2.628 300 L HA 0.242 4.924 4.340 0.570 0.000 0.229 300 L C 0.432 177.227 176.870 -0.124 0.000 1.137 300 L CA -0.250 54.502 54.840 -0.147 0.000 0.909 300 L CB -0.233 41.697 42.059 -0.216 0.000 1.137 300 L HN 0.168 8.398 8.230 -0.000 0.000 0.470 301 T N 0.869 115.371 114.554 -0.087 0.000 2.851 301 T HA 0.268 4.959 4.350 0.570 0.000 0.298 301 T C 0.011 174.705 174.700 -0.010 0.000 0.977 301 T CA 0.043 62.136 62.100 -0.011 0.000 1.126 301 T CB 1.317 70.251 68.868 0.111 0.000 0.916 301 T HN -0.092 8.148 8.240 -0.000 0.000 0.529 302 K N 2.227 122.613 120.400 -0.023 0.000 2.443 302 K HA 0.587 5.248 4.320 0.570 0.000 0.252 302 K C -1.123 175.444 176.600 -0.055 0.000 0.933 302 K CA -0.769 55.497 56.287 -0.035 0.000 0.792 302 K CB 1.713 34.185 32.500 -0.046 0.000 1.185 302 K HN 0.469 8.719 8.250 -0.000 0.000 0.425 303 V N -0.290 119.596 119.914 -0.046 0.000 2.483 303 V HA 0.775 5.237 4.120 0.570 0.000 0.297 303 V C -0.805 175.256 176.094 -0.054 0.000 1.027 303 V CA -0.519 61.739 62.300 -0.068 0.000 0.855 303 V CB 1.798 33.592 31.823 -0.050 0.000 0.995 303 V HN 0.591 8.781 8.190 -0.000 0.000 0.424 304 S N 4.180 119.839 115.700 -0.068 0.000 2.718 304 S HA 0.716 5.528 4.470 0.570 0.000 0.294 304 S C 0.777 175.347 174.600 -0.049 0.000 1.157 304 S CA 0.799 58.970 58.200 -0.049 0.000 1.121 304 S CB 0.419 63.592 63.200 -0.045 0.000 1.015 304 S HN 2.605 10.915 8.310 -0.000 0.000 0.479 305 G N 5.574 114.353 108.800 -0.036 0.000 2.602 305 G HA2 -0.301 4.001 3.960 0.570 0.000 0.310 305 G HA3 -0.301 4.001 3.960 0.570 0.000 0.310 305 G C 0.591 175.466 174.900 -0.040 0.000 1.183 305 G CA 0.421 45.503 45.100 -0.030 0.000 0.979 305 G HN 0.631 8.921 8.290 -0.000 0.000 0.545 306 R N -0.136 120.338 120.500 -0.043 0.000 2.362 306 R HA 0.326 5.007 4.340 0.570 0.000 0.227 306 R C 0.702 176.942 176.300 -0.099 0.000 0.905 306 R CA -0.119 55.953 56.100 -0.048 0.000 1.067 306 R CB -0.265 30.025 30.300 -0.017 0.000 1.078 306 R HN 0.409 8.679 8.270 -0.000 0.000 0.516 307 L N 1.147 122.300 121.223 -0.117 0.000 2.292 307 L HA 0.322 5.004 4.340 0.570 0.000 0.284 307 L C -0.665 176.044 176.870 -0.267 0.000 1.065 307 L CA -0.410 54.325 54.840 -0.175 0.000 0.806 307 L CB 1.552 43.545 42.059 -0.109 0.000 1.175 307 L HN -0.283 7.947 8.230 -0.000 0.000 0.431 308 V N 5.387 125.004 119.914 -0.494 0.000 2.588 308 V HA 0.486 4.948 4.120 0.570 0.000 0.304 308 V C -0.411 175.416 176.094 -0.447 0.000 1.042 308 V CA -0.874 61.090 62.300 -0.560 0.000 0.877 308 V CB 1.848 33.095 31.823 -0.960 0.000 0.996 308 V HN 0.720 8.910 8.190 -0.000 0.000 0.425 309 K N 3.924 124.200 120.400 -0.208 0.000 2.394 309 K HA 0.762 5.424 4.320 0.570 0.000 0.260 309 K C -1.099 175.488 176.600 -0.021 0.000 0.967 309 K CA -0.438 55.790 56.287 -0.098 0.000 0.855 309 K CB 1.796 34.245 32.500 -0.084 0.000 1.101 309 K HN 0.635 8.885 8.250 -0.000 0.000 0.433 310 V N -0.154 119.796 119.914 0.060 0.000 2.914 310 V HA 0.744 5.206 4.120 0.570 0.000 0.314 310 V C -0.800 175.298 176.094 0.006 0.000 1.084 310 V CA -0.713 61.659 62.300 0.119 0.000 0.963 310 V CB 1.873 33.920 31.823 0.374 0.000 1.025 310 V HN 0.704 8.894 8.190 -0.000 0.000 0.432 311 S N 1.612 117.228 115.700 -0.139 0.000 2.549 311 S HA 0.800 5.612 4.470 0.570 0.000 0.280 311 S C -0.579 173.818 174.600 -0.339 0.000 1.109 311 S CA -0.645 57.401 58.200 -0.256 0.000 0.905 311 S CB 1.702 64.666 63.200 -0.393 0.000 1.081 311 S HN 1.224 9.534 8.310 -0.000 0.000 0.477 312 S N 0.555 116.085 115.700 -0.283 0.000 2.538 312 S HA 0.681 5.493 4.470 0.570 0.000 0.288 312 S C -1.786 172.665 174.600 -0.248 0.000 1.108 312 S CA -0.713 57.355 58.200 -0.220 0.000 0.971 312 S CB 0.476 63.676 63.200 -0.000 0.000 1.041 312 S HN 0.617 8.927 8.310 -0.000 0.000 0.483 313 W N 4.126 125.300 121.300 -0.209 0.000 2.376 313 W HA 0.579 5.577 4.660 0.563 0.000 0.322 313 W C -0.356 176.170 176.519 0.013 0.000 1.160 313 W CA -0.561 56.636 57.345 -0.246 0.000 1.218 313 W CB 0.609 29.542 29.460 -0.879 0.000 1.205 313 W HN 0.671 8.851 8.180 -0.000 0.000 0.559 314 Y N -0.184 120.182 120.300 0.110 0.000 2.433 314 Y HA 0.289 5.187 4.550 0.580 0.000 0.337 314 Y C -0.599 175.372 175.900 0.118 0.000 1.026 314 Y CA -1.654 56.508 58.100 0.104 0.000 1.037 314 Y CB 1.226 39.721 38.460 0.059 0.000 1.245 314 Y HN 0.302 8.582 8.280 -0.000 0.000 0.443 315 D N 4.691 125.215 120.400 0.207 0.000 2.416 315 D HA -0.051 4.931 4.640 0.570 0.000 0.240 315 D C 0.791 177.191 176.300 0.166 0.000 1.250 315 D CA 0.188 54.287 54.000 0.165 0.000 0.967 315 D CB 0.339 41.326 40.800 0.312 0.000 1.059 315 D HN 0.885 9.255 8.370 -0.000 0.000 0.512 316 N N 3.006 121.670 118.700 -0.059 0.000 2.322 316 N HA -0.233 4.849 4.740 0.570 0.000 0.189 316 N C 0.717 176.329 175.510 0.170 0.000 1.012 316 N CA 1.108 54.173 53.050 0.026 0.000 0.880 316 N CB 0.066 38.432 38.487 -0.202 0.000 0.967 316 N HN 0.577 8.957 8.380 -0.000 0.000 0.439 317 E N -0.760 119.585 120.200 0.242 0.000 2.162 317 E HA 0.025 4.717 4.350 0.570 0.000 0.193 317 E C 1.558 178.362 176.600 0.339 0.000 0.953 317 E CA -0.058 56.527 56.400 0.308 0.000 0.849 317 E CB -0.119 29.822 29.700 0.401 0.000 0.810 317 E HN 0.391 8.751 8.360 -0.000 0.000 0.470 318 W N 1.434 122.809 121.300 0.124 0.000 2.480 318 W HA -0.008 4.994 4.660 0.571 0.000 0.299 318 W C 2.007 178.552 176.519 0.043 0.000 1.187 318 W CA 1.407 58.754 57.345 0.003 0.000 1.347 318 W CB -0.014 29.420 29.460 -0.043 0.000 1.121 318 W HN 0.087 8.267 8.180 -0.000 0.000 0.533 319 G N 0.635 109.552 108.800 0.195 0.000 2.459 319 G HA2 -0.378 3.924 3.960 0.570 0.000 0.217 319 G HA3 -0.378 3.924 3.960 0.570 0.000 0.217 319 G C 1.322 176.253 174.900 0.052 0.000 1.183 319 G CA 1.069 46.231 45.100 0.104 0.000 0.776 319 G HN 0.263 8.553 8.290 -0.000 0.000 0.552 320 F N 2.108 122.058 119.950 -0.001 0.000 2.095 320 F HA -0.129 4.741 4.527 0.572 0.000 0.298 320 F C 2.991 178.720 175.800 -0.120 0.000 1.104 320 F CA 1.875 59.860 58.000 -0.025 0.000 1.232 320 F CB -0.342 38.683 39.000 0.041 0.000 0.987 320 F HN 0.157 8.457 8.300 -0.000 0.000 0.475 321 S N 0.175 115.826 115.700 -0.082 0.000 2.399 321 S HA -0.188 4.624 4.470 0.570 0.000 0.231 321 S C 1.763 176.098 174.600 -0.443 0.000 1.022 321 S CA 1.236 59.269 58.200 -0.277 0.000 0.983 321 S CB -0.449 62.580 63.200 -0.285 0.000 0.803 321 S HN 0.481 8.791 8.310 -0.000 0.000 0.480 322 N N 0.642 119.045 118.700 -0.495 0.000 2.409 322 N HA 0.046 5.128 4.740 0.570 0.000 0.179 322 N C 1.635 176.913 175.510 -0.386 0.000 1.032 322 N CA 0.471 53.249 53.050 -0.452 0.000 0.898 322 N CB 0.011 38.244 38.487 -0.423 0.000 0.971 322 N HN 0.227 8.607 8.380 -0.000 0.000 0.441 323 R N 0.770 121.051 120.500 -0.365 0.000 2.093 323 R HA 0.141 4.823 4.340 0.570 0.000 0.224 323 R C 2.135 178.167 176.300 -0.446 0.000 1.101 323 R CA 0.396 56.270 56.100 -0.376 0.000 0.979 323 R CB -0.541 29.592 30.300 -0.278 0.000 0.877 323 R HN 0.276 8.546 8.270 -0.000 0.000 0.441 324 M N 0.655 119.953 119.600 -0.504 0.000 2.144 324 M HA -0.168 4.654 4.480 0.570 0.000 0.260 324 M C 2.309 178.361 176.300 -0.414 0.000 1.067 324 M CA 1.556 56.587 55.300 -0.449 0.000 1.095 324 M CB -0.719 31.627 32.600 -0.423 0.000 1.365 324 M HN 0.090 8.380 8.290 -0.000 0.000 0.406 325 L N -0.542 120.383 121.223 -0.496 0.000 2.044 325 L HA -0.207 4.474 4.340 0.570 0.000 0.205 325 L C 2.094 178.613 176.870 -0.585 0.000 1.075 325 L CA 0.968 55.429 54.840 -0.631 0.000 0.747 325 L CB -0.832 40.651 42.059 -0.960 0.000 0.903 325 L HN 0.211 8.441 8.230 -0.000 0.000 0.435 326 D N -0.360 119.695 120.400 -0.575 0.000 2.104 326 D HA -0.175 4.806 4.640 0.570 0.000 0.194 326 D C 2.185 178.197 176.300 -0.480 0.000 0.994 326 D CA 1.675 55.273 54.000 -0.671 0.000 0.830 326 D CB -0.313 39.693 40.800 -1.323 0.000 0.959 326 D HN 0.171 8.541 8.370 -0.000 0.000 0.452 327 T N 0.308 114.661 114.554 -0.336 0.000 2.708 327 T HA -0.118 4.574 4.350 0.570 0.000 0.266 327 T C 1.946 176.592 174.700 -0.089 0.000 1.037 327 T CA 1.572 63.619 62.100 -0.089 0.000 1.146 327 T CB -0.323 68.481 68.868 -0.106 0.000 0.865 327 T HN 0.206 8.446 8.240 -0.000 0.000 0.435 328 A N 1.460 124.173 122.820 -0.179 0.000 1.940 328 A HA -0.070 4.592 4.320 0.570 0.000 0.219 328 A C 2.168 179.684 177.584 -0.112 0.000 1.176 328 A CA 1.109 53.048 52.037 -0.164 0.000 0.631 328 A CB -0.641 18.218 19.000 -0.235 0.000 0.814 328 A HN 0.395 8.545 8.150 -0.000 0.000 0.446 329 I N -0.028 120.481 120.570 -0.103 0.000 2.045 329 I HA -0.276 4.236 4.170 0.570 0.000 0.233 329 I C 3.011 179.145 176.117 0.028 0.000 1.048 329 I CA 1.698 62.980 61.300 -0.030 0.000 1.313 329 I CB -1.710 36.294 38.000 0.007 0.000 1.043 329 I HN 0.366 8.576 8.210 -0.000 0.000 0.393 330 A N 0.448 123.328 122.820 0.098 0.000 2.032 330 A HA -0.237 4.425 4.320 0.570 0.000 0.221 330 A C 2.295 179.944 177.584 0.109 0.000 1.165 330 A CA 1.676 53.815 52.037 0.170 0.000 0.645 330 A CB -0.926 18.276 19.000 0.336 0.000 0.807 330 A HN 0.449 8.599 8.150 -0.000 0.000 0.453 331 L N -0.328 120.934 121.223 0.064 0.000 1.976 331 L HA -0.085 4.596 4.340 0.570 0.000 0.209 331 L C 2.717 179.600 176.870 0.023 0.000 1.071 331 L CA 2.439 57.303 54.840 0.040 0.000 0.746 331 L CB -0.940 41.117 42.059 -0.003 0.000 0.890 331 L HN 0.326 8.556 8.230 -0.000 0.000 0.432 332 A N -0.562 122.257 122.820 -0.001 0.000 1.902 332 A HA -0.151 4.511 4.320 0.570 0.000 0.217 332 A C 1.506 179.091 177.584 0.002 0.000 1.181 332 A CA 1.683 53.713 52.037 -0.011 0.000 0.623 332 A CB -0.740 18.242 19.000 -0.030 0.000 0.818 332 A HN 0.623 8.773 8.150 -0.000 0.000 0.443 333 N N 0.542 119.251 118.700 0.016 0.000 2.466 333 N HA 0.363 5.445 4.740 0.570 0.000 0.251 333 N C -0.409 175.114 175.510 0.022 0.000 1.164 333 N CA 0.663 53.724 53.050 0.019 0.000 0.888 333 N CB 0.185 38.688 38.487 0.028 0.000 1.177 333 N HN 0.406 8.786 8.380 -0.000 0.000 0.498 334 A N 0.872 123.701 122.820 0.015 0.000 2.322 334 A HA 0.420 5.082 4.320 0.570 0.000 0.327 334 A C 0.433 178.005 177.584 -0.020 0.000 1.394 334 A CA -0.486 51.553 52.037 0.003 0.000 0.921 334 A CB 0.702 19.710 19.000 0.014 0.000 1.153 334 A HN 0.062 8.212 8.150 -0.000 0.000 0.523 335 K N 0.000 120.387 120.400 -0.021 0.000 2.780 335 K HA 0.000 4.662 4.320 0.570 0.000 0.191 335 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 335 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 335 K HN 0.000 8.250 8.250 -0.000 0.000 0.543