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 1f45_1_A DATA FIRST_RESID 1 DATA SEQUENCE IWELKKDVYV VELDWYPDAP GEMVVLTcDT PEEDGITWTL DQSSEVLGSG DATA SEQUENCE KTLTIQVKEF GDAGQYTcXX XXXXXSHSLL LLHKKEDGIW STDILKDQKE DATA SEQUENCE PKNKTFLRcE AKNYSGRFTc WWLTTISTDL TFSVKSSRGS SDPQGVTcGA DATA SEQUENCE ATLSAEXXXX XXXEYEYSVE cQEDSACPAA EESLPIEVMV DAVHKLKYEN DATA SEQUENCE YTSSFFIRDI IKPDPPKNLQ LKPLKNSRQV EVSWEYPDTW STPHSYFSLT DATA SEQUENCE FCVQVQXXXX XXXKDRVFTD KTSATVIcRX XXSISVRAQD RYYSSSWSEW DATA SEQUENCE ASVPcS 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 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1 I C 0.000 176.254 176.117 0.228 0.000 1.063 1 I CA 0.000 61.347 61.300 0.079 0.000 1.566 1 I CB 0.000 38.008 38.000 0.013 0.000 1.214 2 W N 4.698 126.037 121.300 0.066 0.000 3.062 2 W HA 0.669 5.329 4.660 0.000 0.000 0.336 2 W C -1.266 175.286 176.519 0.054 0.000 1.224 2 W CA -0.956 56.426 57.345 0.061 0.000 1.159 2 W CB 1.123 30.566 29.460 -0.029 0.000 1.454 2 W HN 0.695 8.875 8.180 -0.000 0.000 0.569 3 E N 1.528 121.900 120.200 0.288 0.000 2.146 3 E HA 0.294 4.644 4.350 0.001 0.000 0.282 3 E C -0.426 176.225 176.600 0.086 0.000 0.989 3 E CA -0.440 55.901 56.400 -0.099 0.000 0.799 3 E CB 1.534 31.119 29.700 -0.191 0.000 1.088 3 E HN 0.437 8.797 8.360 -0.000 0.000 0.397 4 L N 5.483 126.626 121.223 -0.134 0.000 2.437 4 L HA 0.204 4.544 4.340 0.001 0.000 0.199 4 L C 0.734 177.559 176.870 -0.075 0.000 1.270 4 L CA 0.590 55.414 54.840 -0.027 0.000 2.819 4 L CB -0.249 41.660 42.059 -0.250 0.000 2.667 4 L HN 0.571 8.801 8.230 -0.000 0.000 1.109 5 K N 0.190 120.521 120.400 -0.115 0.000 2.583 5 K HA 0.168 4.488 4.320 0.001 0.000 0.266 5 K C -0.457 176.058 176.600 -0.142 0.000 1.037 5 K CA -0.734 55.500 56.287 -0.088 0.000 0.996 5 K CB -0.088 32.383 32.500 -0.047 0.000 1.307 5 K HN -0.068 8.182 8.250 -0.000 0.000 0.502 6 K N 1.307 121.654 120.400 -0.088 0.000 2.412 6 K HA -0.052 4.269 4.320 0.001 0.000 0.284 6 K C -0.768 175.775 176.600 -0.096 0.000 1.046 6 K CA 0.865 57.105 56.287 -0.079 0.000 0.999 6 K CB -0.499 31.989 32.500 -0.021 0.000 0.941 6 K HN 0.676 8.926 8.250 -0.000 0.000 0.474 7 D N 1.566 121.888 120.400 -0.130 0.000 3.041 7 D HA -0.150 4.490 4.640 0.001 0.000 0.220 7 D C -0.988 175.212 176.300 -0.167 0.000 1.157 7 D CA 0.960 54.917 54.000 -0.072 0.000 0.876 7 D CB -1.245 39.584 40.800 0.048 0.000 1.107 7 D HN 0.233 8.603 8.370 -0.000 0.000 0.422 8 V N 0.272 119.951 119.914 -0.390 0.000 2.789 8 V HA 0.613 4.733 4.120 0.001 0.000 0.311 8 V C -0.431 175.264 176.094 -0.664 0.000 1.073 8 V CA -0.811 61.277 62.300 -0.353 0.000 0.921 8 V CB 2.221 33.897 31.823 -0.244 0.000 1.009 8 V HN 0.011 8.201 8.190 -0.000 0.000 0.426 9 Y N 1.576 121.704 120.300 -0.286 0.000 2.576 9 Y HA 0.776 5.326 4.550 0.000 0.000 0.346 9 Y C -0.231 175.303 175.900 -0.609 0.000 1.018 9 Y CA -1.060 56.794 58.100 -0.409 0.000 1.050 9 Y CB 2.294 40.572 38.460 -0.302 0.000 1.280 9 Y HN 0.359 8.639 8.280 -0.000 0.000 0.474 10 V N 2.519 121.961 119.914 -0.786 0.000 2.604 10 V HA 0.604 4.724 4.120 0.001 0.000 0.305 10 V C -1.082 174.604 176.094 -0.680 0.000 1.043 10 V CA -0.867 60.836 62.300 -0.995 0.000 0.888 10 V CB 2.036 32.652 31.823 -2.012 0.000 0.995 10 V HN 0.529 8.719 8.190 -0.000 0.000 0.429 11 V N 4.211 123.921 119.914 -0.341 0.000 2.407 11 V HA 0.401 4.521 4.120 0.001 0.000 0.291 11 V C -0.153 175.959 176.094 0.030 0.000 1.018 11 V CA -0.793 61.423 62.300 -0.141 0.000 0.842 11 V CB 1.554 33.318 31.823 -0.098 0.000 0.996 11 V HN 0.906 9.096 8.190 -0.000 0.000 0.426 12 E N 4.288 124.579 120.200 0.152 0.000 2.259 12 E HA 0.483 4.834 4.350 0.001 0.000 0.281 12 E C -1.106 175.649 176.600 0.258 0.000 1.037 12 E CA -0.352 56.256 56.400 0.346 0.000 0.854 12 E CB 1.113 31.121 29.700 0.513 0.000 1.051 12 E HN 0.287 8.647 8.360 -0.000 0.000 0.409 13 L N 3.318 124.698 121.223 0.261 0.000 2.436 13 L HA 0.208 4.548 4.340 0.001 0.000 0.268 13 L C -0.673 176.315 176.870 0.196 0.000 0.974 13 L CA -0.771 54.195 54.840 0.209 0.000 0.826 13 L CB 1.841 44.054 42.059 0.256 0.000 1.291 13 L HN 0.441 8.671 8.230 -0.000 0.000 0.406 14 D N 1.972 122.443 120.400 0.120 0.000 2.401 14 D HA -0.096 4.545 4.640 0.001 0.000 0.254 14 D C 0.480 176.924 176.300 0.241 0.000 1.192 14 D CA 0.186 54.244 54.000 0.097 0.000 0.885 14 D CB 0.673 41.500 40.800 0.045 0.000 1.147 14 D HN 0.560 8.930 8.370 -0.000 0.000 0.478 15 W N 4.646 125.936 121.300 -0.018 0.000 3.204 15 W HA -0.068 4.592 4.660 0.000 0.000 0.249 15 W C -0.254 176.289 176.519 0.041 0.000 1.322 15 W CA -0.643 56.695 57.345 -0.012 0.000 1.593 15 W CB 0.136 29.588 29.460 -0.014 0.000 1.122 15 W HN 0.426 8.606 8.180 -0.000 0.000 0.710 16 Y N 2.173 122.491 120.300 0.031 0.000 2.359 16 Y HA 0.086 4.637 4.550 0.001 0.000 0.330 16 Y C -1.520 174.297 175.900 -0.138 0.000 1.143 16 Y CA -1.820 56.252 58.100 -0.047 0.000 1.318 16 Y CB 0.692 39.135 38.460 -0.029 0.000 1.234 16 Y HN -0.181 8.099 8.280 -0.000 0.000 0.522 17 P HA -0.202 4.218 4.420 -0.000 0.000 0.216 17 P C 0.625 177.751 177.300 -0.289 0.000 1.157 17 P CA 2.083 64.895 63.100 -0.479 0.000 0.880 17 P CB 0.341 31.706 31.700 -0.558 0.000 0.791 18 D N -1.220 119.041 120.400 -0.233 0.000 2.363 18 D HA 0.077 4.717 4.640 0.001 0.000 0.226 18 D C 0.805 177.157 176.300 0.088 0.000 1.020 18 D CA 0.389 54.402 54.000 0.021 0.000 0.892 18 D CB -0.476 40.437 40.800 0.189 0.000 0.900 18 D HN 0.139 8.509 8.370 -0.000 0.000 0.531 19 A N 1.450 124.332 122.820 0.104 0.000 2.327 19 A HA 0.460 4.780 4.320 0.001 0.000 0.283 19 A C -2.252 175.334 177.584 0.004 0.000 1.127 19 A CA -1.249 50.829 52.037 0.068 0.000 0.810 19 A CB 0.285 19.341 19.000 0.093 0.000 1.066 19 A HN -0.115 8.035 8.150 -0.000 0.000 0.492 20 P HA 0.164 4.584 4.420 -0.000 0.000 0.267 20 P C 0.645 177.936 177.300 -0.016 0.000 1.201 20 P CA 0.643 63.736 63.100 -0.011 0.000 0.775 20 P CB 0.639 32.337 31.700 -0.003 0.000 0.854 21 G N 0.780 109.563 108.800 -0.028 0.000 2.606 21 G HA2 0.387 4.348 3.960 0.001 0.000 0.262 21 G HA3 0.387 4.348 3.960 0.001 0.000 0.262 21 G C -1.019 173.872 174.900 -0.014 0.000 1.394 21 G CA -0.324 44.759 45.100 -0.029 0.000 1.044 21 G HN 0.517 8.807 8.290 -0.000 0.000 0.553 22 E N -0.769 119.420 120.200 -0.018 0.000 2.187 22 E HA 0.417 4.767 4.350 0.001 0.000 0.268 22 E C -0.524 176.056 176.600 -0.033 0.000 0.896 22 E CA -0.650 55.740 56.400 -0.016 0.000 0.766 22 E CB 1.486 31.181 29.700 -0.008 0.000 1.142 22 E HN 0.333 8.693 8.360 -0.000 0.000 0.408 23 M N 5.478 125.060 119.600 -0.030 0.000 2.264 23 M HA 0.181 4.662 4.480 0.001 0.000 0.340 23 M C -1.305 174.963 176.300 -0.052 0.000 1.420 23 M CA -0.439 54.837 55.300 -0.040 0.000 1.254 23 M CB 0.224 32.805 32.600 -0.031 0.000 1.575 23 M HN 0.308 8.598 8.290 -0.000 0.000 0.452 24 V N 5.423 125.293 119.914 -0.073 0.000 2.539 24 V HA 0.430 4.551 4.120 0.001 0.000 0.292 24 V C -0.162 175.861 176.094 -0.118 0.000 1.045 24 V CA -0.786 61.450 62.300 -0.106 0.000 0.945 24 V CB 1.559 33.298 31.823 -0.139 0.000 0.993 24 V HN 0.530 8.720 8.190 -0.000 0.000 0.464 25 V N 5.413 125.247 119.914 -0.134 0.000 2.357 25 V HA 0.323 4.443 4.120 0.001 0.000 0.281 25 V C -0.168 175.840 176.094 -0.143 0.000 1.015 25 V CA -0.340 61.886 62.300 -0.124 0.000 0.827 25 V CB 1.453 33.232 31.823 -0.073 0.000 1.018 25 V HN 0.669 8.859 8.190 -0.000 0.000 0.432 26 L N 3.775 124.894 121.223 -0.174 0.000 2.389 26 L HA 0.286 4.627 4.340 0.001 0.000 0.265 26 L C 0.692 177.633 176.870 0.118 0.000 1.167 26 L CA -0.060 54.709 54.840 -0.117 0.000 1.045 26 L CB -0.106 41.828 42.059 -0.208 0.000 1.351 26 L HN 0.532 8.762 8.230 -0.000 0.000 0.419 27 T N 0.822 115.448 114.554 0.120 0.000 2.778 27 T HA -0.106 4.245 4.350 0.001 0.000 0.282 27 T C 0.541 175.414 174.700 0.288 0.000 0.983 27 T CA 0.025 62.240 62.100 0.192 0.000 1.193 27 T CB 0.175 69.108 68.868 0.108 0.000 0.938 27 T HN 0.607 8.847 8.240 -0.000 0.000 0.523 28 c N 5.685 124.495 118.600 0.350 0.000 2.595 28 c HA 0.083 4.653 4.570 0.001 0.000 0.374 28 c C 1.006 175.148 174.090 0.087 0.000 1.250 28 c CA -0.936 55.504 56.329 0.186 0.000 1.595 28 c CB -1.795 40.634 42.510 -0.135 0.000 2.257 28 c HN 0.858 9.088 8.230 -0.000 0.000 0.568 29 D N 4.117 124.582 120.400 0.109 0.000 2.429 29 D HA 0.144 4.784 4.640 0.001 0.000 0.253 29 D C 0.466 176.786 176.300 0.034 0.000 1.294 29 D CA 0.916 54.962 54.000 0.077 0.000 1.063 29 D CB 0.052 40.913 40.800 0.103 0.000 1.096 29 D HN 0.728 9.098 8.370 -0.000 0.000 0.516 30 T N 3.610 118.170 114.554 0.011 0.000 4.024 30 T HA 0.122 4.473 4.350 0.001 0.000 0.193 30 T C -2.744 171.947 174.700 -0.016 0.000 0.697 30 T CA -0.941 61.151 62.100 -0.013 0.000 1.393 30 T CB 0.172 69.012 68.868 -0.047 0.000 0.962 30 T HN 0.133 8.373 8.240 -0.000 0.000 0.583 31 P HA 0.032 4.452 4.420 -0.000 0.000 0.131 31 P C 0.334 177.627 177.300 -0.012 0.000 1.013 31 P CA 0.608 63.707 63.100 -0.002 0.000 1.080 31 P CB -0.039 31.664 31.700 0.005 0.000 1.587 32 E N 0.982 121.169 120.200 -0.023 0.000 2.601 32 E HA 0.048 4.399 4.350 0.001 0.000 0.219 32 E C 1.350 177.933 176.600 -0.029 0.000 0.964 32 E CA 0.866 57.248 56.400 -0.029 0.000 1.050 32 E CB 0.438 30.111 29.700 -0.045 0.000 1.068 32 E HN 0.248 8.608 8.360 -0.000 0.000 0.496 33 E N 1.185 121.372 120.200 -0.022 0.000 4.109 33 E HA -0.350 4.000 4.350 0.001 0.000 0.206 33 E C 0.456 177.041 176.600 -0.025 0.000 1.281 33 E CA 2.080 58.470 56.400 -0.016 0.000 2.179 33 E CB -2.388 27.307 29.700 -0.007 0.000 1.884 33 E HN 0.588 8.948 8.360 -0.000 0.000 0.280 34 D N 0.579 120.963 120.400 -0.026 0.000 2.139 34 D HA 0.035 4.676 4.640 0.001 0.000 0.084 34 D C 0.828 177.107 176.300 -0.035 0.000 0.921 34 D CA 2.073 56.056 54.000 -0.029 0.000 0.369 34 D CB -0.186 40.592 40.800 -0.036 0.000 0.805 34 D HN 1.387 9.757 8.370 -0.000 0.000 0.295 35 G N 1.548 110.331 108.800 -0.029 0.000 2.255 35 G HA2 0.325 4.285 3.960 0.001 0.000 0.267 35 G HA3 0.325 4.285 3.960 0.001 0.000 0.267 35 G C 0.284 175.152 174.900 -0.053 0.000 1.177 35 G CA -0.136 44.947 45.100 -0.028 0.000 1.027 35 G HN 0.402 8.692 8.290 -0.000 0.000 0.437 36 I N 1.373 121.901 120.570 -0.071 0.000 2.474 36 I HA 0.280 4.450 4.170 0.001 0.000 0.294 36 I C 0.632 176.657 176.117 -0.154 0.000 1.005 36 I CA -0.689 60.523 61.300 -0.145 0.000 1.113 36 I CB 2.382 40.244 38.000 -0.229 0.000 1.289 36 I HN 0.382 8.592 8.210 -0.000 0.000 0.436 37 T N 4.149 118.595 114.554 -0.179 0.000 2.913 37 T HA 0.417 4.768 4.350 0.001 0.000 0.287 37 T C -1.488 173.111 174.700 -0.168 0.000 1.008 37 T CA -0.106 61.930 62.100 -0.107 0.000 1.067 37 T CB 0.533 69.362 68.868 -0.066 0.000 0.996 37 T HN 0.484 8.724 8.240 -0.000 0.000 0.513 38 W N 2.773 124.043 121.300 -0.050 0.000 2.687 38 W HA 0.428 5.088 4.660 0.000 0.000 0.328 38 W C -0.212 176.230 176.519 -0.129 0.000 1.012 38 W CA -0.875 56.421 57.345 -0.081 0.000 1.262 38 W CB 1.781 31.183 29.460 -0.097 0.000 1.331 38 W HN 0.842 9.022 8.180 -0.000 0.000 0.433 39 T N 0.208 114.905 114.554 0.238 0.000 2.916 39 T HA 0.605 4.955 4.350 0.001 0.000 0.292 39 T C -1.357 173.340 174.700 -0.006 0.000 1.064 39 T CA -0.996 61.138 62.100 0.055 0.000 1.011 39 T CB 1.963 70.868 68.868 0.061 0.000 1.152 39 T HN 0.218 8.458 8.240 -0.000 0.000 0.510 40 L N 2.789 123.987 121.223 -0.042 0.000 2.360 40 L HA 0.399 4.739 4.340 0.001 0.000 0.265 40 L C 0.255 177.206 176.870 0.135 0.000 1.066 40 L CA 0.303 55.197 54.840 0.090 0.000 0.929 40 L CB -1.439 40.674 42.059 0.090 0.000 1.306 40 L HN 1.048 9.278 8.230 -0.000 0.000 0.434 41 D N 1.342 121.842 120.400 0.166 0.000 3.417 41 D HA -0.439 4.202 4.640 0.001 0.000 0.163 41 D C 0.772 177.124 176.300 0.086 0.000 1.070 41 D CA 1.862 55.939 54.000 0.128 0.000 1.047 41 D CB -0.634 40.236 40.800 0.117 0.000 0.514 41 D HN 0.694 9.064 8.370 -0.000 0.000 0.532 42 Q N -0.309 119.532 119.800 0.069 0.000 2.515 42 Q HA -0.124 4.216 4.340 0.001 0.000 0.215 42 Q C 0.659 176.684 176.000 0.042 0.000 0.983 42 Q CA 1.314 57.147 55.803 0.049 0.000 0.905 42 Q CB -0.337 28.427 28.738 0.042 0.000 0.961 42 Q HN 0.509 8.779 8.270 -0.000 0.000 0.503 43 S N 0.494 116.222 115.700 0.047 0.000 2.443 43 S HA 0.121 4.591 4.470 0.001 0.000 0.284 43 S C 0.648 175.263 174.600 0.025 0.000 1.206 43 S CA -0.302 57.918 58.200 0.033 0.000 1.074 43 S CB 1.003 64.223 63.200 0.033 0.000 0.963 43 S HN 0.357 8.667 8.310 -0.000 0.000 0.501 44 S N 3.981 119.692 115.700 0.019 0.000 2.383 44 S HA -0.057 4.413 4.470 0.001 0.000 0.227 44 S C 0.351 174.957 174.600 0.010 0.000 1.026 44 S CA 0.673 58.882 58.200 0.015 0.000 0.981 44 S CB -0.353 62.855 63.200 0.012 0.000 0.818 44 S HN 0.897 9.207 8.310 -0.000 0.000 0.472 45 E N 1.979 122.182 120.200 0.005 0.000 2.614 45 E HA 0.020 4.370 4.350 0.001 0.000 0.245 45 E C -0.824 175.774 176.600 -0.003 0.000 1.039 45 E CA -0.151 56.248 56.400 -0.001 0.000 0.948 45 E CB 0.310 30.006 29.700 -0.007 0.000 0.937 45 E HN -0.021 8.339 8.360 -0.000 0.000 0.498 46 V N 6.411 126.329 119.914 0.006 0.000 2.304 46 V HA -0.100 4.020 4.120 0.001 0.000 0.239 46 V C 1.492 177.590 176.094 0.006 0.000 1.201 46 V CA 0.486 62.799 62.300 0.021 0.000 1.254 46 V CB -0.841 31.000 31.823 0.031 0.000 1.335 46 V HN 0.720 8.910 8.190 -0.000 0.000 0.491 47 L N 3.199 124.402 121.223 -0.033 0.000 2.211 47 L HA -0.083 4.257 4.340 0.001 0.000 0.216 47 L C 1.262 178.085 176.870 -0.078 0.000 1.092 47 L CA 1.626 56.416 54.840 -0.084 0.000 0.767 47 L CB -0.433 41.513 42.059 -0.190 0.000 0.894 47 L HN 0.726 8.956 8.230 -0.000 0.000 0.437 48 G N -2.638 106.149 108.800 -0.021 0.000 2.548 48 G HA2 0.593 4.553 3.960 0.001 0.000 0.301 48 G HA3 0.593 4.553 3.960 0.001 0.000 0.301 48 G C -1.520 173.488 174.900 0.181 0.000 1.349 48 G CA -0.214 44.892 45.100 0.010 0.000 0.792 48 G HN -0.097 8.193 8.290 -0.000 0.000 0.481 49 S N -2.339 113.505 115.700 0.241 0.000 2.636 49 S HA 0.903 5.373 4.470 0.001 0.000 0.268 49 S C 0.338 175.121 174.600 0.305 0.000 1.159 49 S CA 0.650 59.036 58.200 0.310 0.000 0.815 49 S CB 1.248 64.525 63.200 0.128 0.000 1.130 49 S HN 2.616 10.926 8.310 -0.000 0.000 0.471 50 G N 1.618 110.532 108.800 0.190 0.000 2.659 50 G HA2 -0.086 3.874 3.960 0.001 0.000 0.214 50 G HA3 -0.086 3.874 3.960 0.001 0.000 0.214 50 G C 0.105 175.078 174.900 0.121 0.000 1.191 50 G CA 0.606 45.790 45.100 0.140 0.000 1.141 50 G HN 0.804 9.094 8.290 -0.000 0.000 0.581 51 K N -1.289 119.245 120.400 0.223 0.000 2.494 51 K HA 0.273 4.594 4.320 0.001 0.000 0.201 51 K C 0.386 177.295 176.600 0.515 0.000 1.338 51 K CA 0.958 57.366 56.287 0.202 0.000 0.935 51 K CB 0.447 33.007 32.500 0.101 0.000 1.514 51 K HN 0.387 8.637 8.250 -0.000 0.000 0.490 52 T N 3.064 117.837 114.554 0.365 0.000 3.162 52 T HA 0.238 4.589 4.350 0.001 0.000 0.316 52 T C -0.303 174.464 174.700 0.112 0.000 1.182 52 T CA -0.301 61.950 62.100 0.251 0.000 1.015 52 T CB 0.084 69.021 68.868 0.114 0.000 1.089 52 T HN 0.130 8.370 8.240 -0.000 0.000 0.646 53 L N 3.617 124.756 121.223 -0.140 0.000 2.479 53 L HA 0.383 4.723 4.340 0.001 0.000 0.270 53 L C 0.351 177.025 176.870 -0.327 0.000 1.236 53 L CA 0.954 55.410 54.840 -0.640 0.000 0.823 53 L CB 0.652 41.706 42.059 -1.675 0.000 1.098 53 L HN 0.429 8.659 8.230 -0.000 0.000 0.500 54 T N 4.265 118.664 114.554 -0.258 0.000 3.041 54 T HA 0.682 5.032 4.350 0.001 0.000 0.321 54 T C -0.978 173.646 174.700 -0.128 0.000 1.184 54 T CA -0.152 61.857 62.100 -0.151 0.000 1.050 54 T CB 1.157 69.971 68.868 -0.091 0.000 1.159 54 T HN 0.636 8.876 8.240 -0.000 0.000 0.469 55 I N -0.118 120.397 120.570 -0.091 0.000 3.229 55 I HA 0.709 4.880 4.170 0.001 0.000 0.313 55 I C -1.434 174.654 176.117 -0.048 0.000 1.317 55 I CA -1.504 59.760 61.300 -0.059 0.000 0.940 55 I CB 2.277 40.266 38.000 -0.018 0.000 1.315 55 I HN 0.460 8.670 8.210 -0.000 0.000 0.484 56 Q N 2.566 122.344 119.800 -0.037 0.000 2.368 56 Q HA 0.613 4.954 4.340 0.001 0.000 0.256 56 Q C -1.213 174.764 176.000 -0.038 0.000 0.980 56 Q CA -0.669 55.110 55.803 -0.039 0.000 0.887 56 Q CB 1.465 30.179 28.738 -0.041 0.000 1.221 56 Q HN 0.647 8.917 8.270 -0.000 0.000 0.458 57 V N 2.077 121.964 119.914 -0.045 0.000 2.539 57 V HA 0.673 4.793 4.120 0.001 0.000 0.292 57 V C 0.332 176.391 176.094 -0.058 0.000 1.045 57 V CA -0.577 61.694 62.300 -0.048 0.000 0.945 57 V CB 1.675 33.464 31.823 -0.056 0.000 0.993 57 V HN 0.894 9.084 8.190 -0.000 0.000 0.464 58 K N 1.042 121.392 120.400 -0.083 0.000 2.084 58 K HA 0.239 4.559 4.320 0.001 0.000 0.146 58 K C -0.247 176.187 176.600 -0.277 0.000 2.005 58 K CA 0.185 56.381 56.287 -0.151 0.000 1.016 58 K CB 0.768 33.175 32.500 -0.155 0.000 1.999 58 K HN 0.926 9.176 8.250 -0.000 0.000 0.451 59 E N -1.249 118.847 120.200 -0.172 0.000 2.408 59 E HA 0.394 4.745 4.350 0.001 0.000 0.275 59 E C 0.202 176.811 176.600 0.016 0.000 0.935 59 E CA -0.468 55.829 56.400 -0.170 0.000 0.775 59 E CB 0.869 30.488 29.700 -0.136 0.000 1.277 59 E HN -0.179 8.181 8.360 -0.000 0.000 0.455 60 F N 0.755 120.812 119.950 0.179 0.000 2.120 60 F HA -0.045 4.483 4.527 0.001 0.000 0.300 60 F C 2.127 177.963 175.800 0.061 0.000 1.095 60 F CA 1.972 60.052 58.000 0.134 0.000 1.249 60 F CB -0.660 38.423 39.000 0.138 0.000 0.995 60 F HN 0.682 8.982 8.300 -0.000 0.000 0.480 61 G N -0.591 108.352 108.800 0.238 0.000 2.475 61 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 61 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 61 G C 1.236 176.208 174.900 0.121 0.000 1.125 61 G CA 1.191 46.376 45.100 0.142 0.000 0.755 61 G HN 0.269 8.559 8.290 -0.000 0.000 0.565 62 D N 0.697 121.154 120.400 0.095 0.000 2.363 62 D HA 0.233 4.873 4.640 0.001 0.000 0.226 62 D C 1.179 177.509 176.300 0.049 0.000 1.020 62 D CA 0.600 54.646 54.000 0.075 0.000 0.892 62 D CB 0.281 41.093 40.800 0.021 0.000 0.900 62 D HN 0.340 8.710 8.370 -0.000 0.000 0.531 63 A N -0.002 122.856 122.820 0.065 0.000 2.324 63 A HA 0.741 5.062 4.320 0.001 0.000 0.330 63 A C 0.536 178.119 177.584 -0.002 0.000 1.165 63 A CA 0.074 52.108 52.037 -0.006 0.000 0.813 63 A CB 1.771 20.827 19.000 0.093 0.000 1.197 63 A HN 0.169 8.319 8.150 -0.000 0.000 0.484 64 G N -0.168 108.554 108.800 -0.131 0.000 2.341 64 G HA2 0.415 4.375 3.960 0.001 0.000 0.293 64 G HA3 0.415 4.375 3.960 0.001 0.000 0.293 64 G C -1.299 173.546 174.900 -0.091 0.000 1.298 64 G CA -0.728 44.342 45.100 -0.049 0.000 0.868 64 G HN 0.887 9.177 8.290 -0.000 0.000 0.540 65 Q N 0.603 120.424 119.800 0.035 0.000 2.325 65 Q HA 0.424 4.764 4.340 0.001 0.000 0.256 65 Q C -0.773 175.395 176.000 0.281 0.000 1.142 65 Q CA 0.116 55.958 55.803 0.065 0.000 0.902 65 Q CB -0.595 28.177 28.738 0.058 0.000 1.350 65 Q HN 0.428 8.698 8.270 -0.000 0.000 0.449 66 Y N 2.181 122.527 120.300 0.077 0.000 2.307 66 Y HA 0.458 5.008 4.550 0.000 0.000 0.324 66 Y C 0.295 176.373 175.900 0.295 0.000 1.238 66 Y CA -0.793 57.399 58.100 0.154 0.000 1.280 66 Y CB 1.615 40.124 38.460 0.080 0.000 1.248 66 Y HN 0.443 8.723 8.280 -0.000 0.000 0.508 67 T N 0.843 115.711 114.554 0.523 0.000 2.993 67 T HA 0.501 4.852 4.350 0.001 0.000 0.312 67 T C -0.732 174.123 174.700 0.258 0.000 1.115 67 T CA -0.937 61.398 62.100 0.391 0.000 1.027 67 T CB 0.532 69.552 68.868 0.253 0.000 1.116 67 T HN 0.818 9.058 8.240 -0.000 0.000 0.464 77 H N 0.370 119.502 119.070 0.103 0.000 2.585 77 H HA 0.801 5.358 4.556 0.001 0.000 0.338 77 H C -0.836 174.616 175.328 0.206 0.000 1.295 77 H CA -0.588 55.542 56.048 0.138 0.000 1.356 77 H CB 1.600 31.420 29.762 0.098 0.000 1.736 77 H HN 0.488 8.768 8.280 -0.000 0.000 0.629 78 S N 1.544 117.395 115.700 0.252 0.000 2.243 78 S HA 0.088 4.558 4.470 0.001 0.000 0.296 78 S C -2.035 172.585 174.600 0.032 0.000 0.803 78 S CA -0.668 57.646 58.200 0.190 0.000 0.898 78 S CB 0.506 63.860 63.200 0.256 0.000 1.230 78 S HN 0.406 8.716 8.310 -0.000 0.000 0.420 79 L N 4.823 126.034 121.223 -0.020 0.000 2.309 79 L HA 0.712 5.052 4.340 0.001 0.000 0.282 79 L C -1.185 175.641 176.870 -0.073 0.000 1.036 79 L CA -0.407 54.373 54.840 -0.099 0.000 0.806 79 L CB 0.937 42.908 42.059 -0.147 0.000 1.220 79 L HN 0.638 8.868 8.230 -0.000 0.000 0.429 80 L N 6.550 127.670 121.223 -0.171 0.000 2.325 80 L HA 0.519 4.859 4.340 0.001 0.000 0.281 80 L C -0.899 175.888 176.870 -0.138 0.000 1.004 80 L CA -0.533 54.195 54.840 -0.186 0.000 0.823 80 L CB 1.733 43.599 42.059 -0.322 0.000 1.236 80 L HN 0.544 8.774 8.230 -0.000 0.000 0.415 81 L N 4.337 125.472 121.223 -0.147 0.000 2.354 81 L HA 0.600 4.940 4.340 0.001 0.000 0.269 81 L C -0.608 176.204 176.870 -0.096 0.000 1.005 81 L CA -0.734 54.054 54.840 -0.088 0.000 0.819 81 L CB 2.619 44.611 42.059 -0.111 0.000 1.311 81 L HN 0.445 8.675 8.230 -0.000 0.000 0.423 82 L N 1.648 122.892 121.223 0.035 0.000 2.322 82 L HA 0.425 4.766 4.340 0.001 0.000 0.279 82 L C -0.653 176.299 176.870 0.137 0.000 1.036 82 L CA -0.767 54.094 54.840 0.034 0.000 0.807 82 L CB 1.361 43.400 42.059 -0.032 0.000 1.226 82 L HN 0.449 8.679 8.230 -0.000 0.000 0.433 83 H N 3.836 122.924 119.070 0.029 0.000 2.623 83 H HA 0.324 4.880 4.556 0.000 0.000 0.299 83 H C -0.695 174.731 175.328 0.165 0.000 1.052 83 H CA -0.682 55.444 56.048 0.130 0.000 1.231 83 H CB 0.643 30.479 29.762 0.123 0.000 1.389 83 H HN 0.399 8.679 8.280 -0.000 0.000 0.469 84 K N 3.659 124.118 120.400 0.100 0.000 2.258 84 K HA 0.160 4.480 4.320 0.001 0.000 0.264 84 K C -0.152 176.454 176.600 0.010 0.000 1.007 84 K CA -0.136 56.059 56.287 -0.155 0.000 0.941 84 K CB 1.056 33.251 32.500 -0.508 0.000 0.966 84 K HN 0.499 8.749 8.250 -0.000 0.000 0.480 85 K N 2.800 123.162 120.400 -0.064 0.000 2.637 85 K HA 0.142 4.462 4.320 0.001 0.000 0.248 85 K C -1.448 175.067 176.600 -0.140 0.000 0.971 85 K CA -0.248 55.877 56.287 -0.271 0.000 0.858 85 K CB 1.056 33.200 32.500 -0.592 0.000 1.170 85 K HN 0.486 8.736 8.250 -0.000 0.000 0.443 86 E N 3.190 123.311 120.200 -0.132 0.000 2.114 86 E HA 0.098 4.448 4.350 0.001 0.000 0.266 86 E C -0.875 175.683 176.600 -0.069 0.000 0.896 86 E CA -0.440 55.943 56.400 -0.029 0.000 0.750 86 E CB 1.308 31.027 29.700 0.032 0.000 1.121 86 E HN 0.694 9.054 8.360 -0.000 0.000 0.413 87 D N 2.824 123.185 120.400 -0.065 0.000 3.012 87 D HA -0.217 4.424 4.640 0.001 0.000 0.222 87 D C 0.718 176.939 176.300 -0.131 0.000 1.167 87 D CA 1.947 55.895 54.000 -0.087 0.000 0.854 87 D CB -1.032 39.743 40.800 -0.042 0.000 1.107 87 D HN 0.886 9.256 8.370 -0.000 0.000 0.421 88 G N -0.979 107.700 108.800 -0.202 0.000 2.218 88 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 88 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 88 G C 0.419 175.108 174.900 -0.352 0.000 0.994 88 G CA 0.106 45.049 45.100 -0.261 0.000 0.637 88 G HN 1.176 9.466 8.290 -0.000 0.000 0.505 89 I N -1.465 118.926 120.570 -0.299 0.000 2.569 89 I HA 0.716 4.886 4.170 0.001 0.000 0.296 89 I C 0.215 176.147 176.117 -0.307 0.000 1.028 89 I CA -1.896 59.220 61.300 -0.306 0.000 1.082 89 I CB 1.150 39.083 38.000 -0.111 0.000 1.264 89 I HN 0.094 8.304 8.210 -0.000 0.000 0.429 90 W N 4.116 125.336 121.300 -0.134 0.000 2.187 90 W HA 0.210 4.869 4.660 -0.000 0.000 0.348 90 W C 0.984 177.401 176.519 -0.171 0.000 1.282 90 W CA -0.266 56.951 57.345 -0.215 0.000 1.271 90 W CB 0.440 29.767 29.460 -0.220 0.000 1.170 90 W HN 0.638 8.818 8.180 -0.000 0.000 0.583 91 S N 0.374 116.136 115.700 0.104 0.000 2.576 91 S HA 0.360 4.830 4.470 0.001 0.000 0.276 91 S C 0.232 174.788 174.600 -0.074 0.000 1.339 91 S CA -0.321 57.877 58.200 -0.004 0.000 1.039 91 S CB 1.144 64.318 63.200 -0.043 0.000 0.902 91 S HN 0.535 8.845 8.310 -0.000 0.000 0.516 92 T N -1.803 112.703 114.554 -0.079 0.000 3.741 92 T HA 0.336 4.686 4.350 0.001 0.000 0.242 92 T C -0.280 174.409 174.700 -0.018 0.000 1.042 92 T CA -0.715 61.283 62.100 -0.170 0.000 1.278 92 T CB 0.127 68.782 68.868 -0.354 0.000 0.994 92 T HN 0.444 8.684 8.240 -0.000 0.000 0.594 93 D N 1.613 122.023 120.400 0.016 0.000 2.106 93 D HA 0.099 4.740 4.640 0.001 0.000 0.203 93 D C 2.151 178.491 176.300 0.066 0.000 0.977 93 D CA 0.732 54.765 54.000 0.054 0.000 0.844 93 D CB 0.098 40.927 40.800 0.050 0.000 1.002 93 D HN 0.485 8.855 8.370 -0.000 0.000 0.461 94 I N 0.814 121.426 120.570 0.071 0.000 2.315 94 I HA -0.200 3.970 4.170 0.001 0.000 0.251 94 I C 0.913 177.051 176.117 0.034 0.000 1.125 94 I CA 0.830 62.158 61.300 0.048 0.000 1.392 94 I CB -0.214 37.829 38.000 0.072 0.000 1.065 94 I HN -0.098 8.112 8.210 -0.000 0.000 0.424 95 L N 0.022 121.253 121.223 0.013 0.000 2.319 95 L HA 0.423 4.763 4.340 0.001 0.000 0.267 95 L C 0.014 177.010 176.870 0.210 0.000 1.011 95 L CA -0.778 54.065 54.840 0.004 0.000 0.818 95 L CB 1.856 43.704 42.059 -0.352 0.000 1.316 95 L HN -0.104 8.126 8.230 -0.000 0.000 0.432 96 K N 1.149 121.694 120.400 0.242 0.000 2.201 96 K HA 0.093 4.413 4.320 0.001 0.000 0.278 96 K C -0.632 176.114 176.600 0.244 0.000 1.027 96 K CA -0.568 55.868 56.287 0.250 0.000 0.909 96 K CB 0.865 33.464 32.500 0.165 0.000 1.062 96 K HN 0.473 8.723 8.250 -0.000 0.000 0.465 97 D N 4.247 124.729 120.400 0.137 0.000 2.367 97 D HA -0.036 4.604 4.640 0.001 0.000 0.255 97 D C 0.354 176.549 176.300 -0.175 0.000 1.300 97 D CA 0.442 54.244 54.000 -0.331 0.000 0.959 97 D CB 0.759 41.412 40.800 -0.246 0.000 1.064 97 D HN 0.521 8.891 8.370 -0.000 0.000 0.509 98 Q N 2.834 122.528 119.800 -0.177 0.000 2.615 98 Q HA -0.175 4.165 4.340 0.001 0.000 0.220 98 Q C 1.856 177.799 176.000 -0.095 0.000 0.981 98 Q CA 0.869 56.621 55.803 -0.085 0.000 0.939 98 Q CB -0.484 28.192 28.738 -0.103 0.000 0.982 98 Q HN 0.663 8.933 8.270 -0.000 0.000 0.550 99 K N -0.047 120.266 120.400 -0.145 0.000 7.912 99 K HA -0.488 3.832 4.320 0.001 0.000 0.411 99 K C 1.656 178.205 176.600 -0.086 0.000 0.571 99 K CA 4.497 60.718 56.287 -0.110 0.000 1.414 99 K CB -2.662 29.806 32.500 -0.053 0.000 0.802 99 K HN 0.554 8.804 8.250 -0.000 0.000 1.004 100 E N 0.333 120.507 120.200 -0.043 0.000 2.782 100 E HA -0.362 3.989 4.350 0.001 0.000 0.241 100 E C 0.794 177.376 176.600 -0.029 0.000 0.998 100 E CA 3.069 59.456 56.400 -0.021 0.000 1.535 100 E CB -2.955 26.747 29.700 0.004 0.000 1.442 100 E HN 0.929 9.289 8.360 -0.000 0.000 0.461 101 P HA 0.210 4.630 4.420 -0.000 0.000 0.215 101 P C 1.234 178.506 177.300 -0.046 0.000 1.157 101 P CA 3.189 66.257 63.100 -0.052 0.000 0.859 101 P CB 0.189 31.838 31.700 -0.085 0.000 0.786 102 K N -2.683 117.677 120.400 -0.065 0.000 2.664 102 K HA 0.145 4.465 4.320 0.001 0.000 0.151 102 K C -0.019 176.540 176.600 -0.067 0.000 1.259 102 K CA -0.287 55.968 56.287 -0.052 0.000 1.140 102 K CB -1.299 31.179 32.500 -0.037 0.000 1.054 102 K HN 0.061 8.311 8.250 -0.000 0.000 0.463 103 N N 1.997 120.637 118.700 -0.100 0.000 4.004 103 N HA -0.119 4.621 4.740 0.001 0.000 0.308 103 N C -0.763 174.655 175.510 -0.154 0.000 2.168 103 N CA 1.234 54.213 53.050 -0.119 0.000 2.861 103 N CB 0.044 38.495 38.487 -0.060 0.000 0.389 103 N HN 0.425 8.805 8.380 -0.000 0.000 0.708 104 K N -1.025 119.201 120.400 -0.291 0.000 3.263 104 K HA -0.121 4.200 4.320 0.001 0.000 0.277 104 K C -0.788 175.506 176.600 -0.510 0.000 1.207 104 K CA 0.941 57.007 56.287 -0.368 0.000 0.818 104 K CB -2.000 30.498 32.500 -0.004 0.000 1.313 104 K HN 0.657 8.907 8.250 -0.000 0.000 0.512 105 T N 0.831 114.996 114.554 -0.649 0.000 2.947 105 T HA 0.475 4.825 4.350 0.001 0.000 0.337 105 T C 1.087 175.423 174.700 -0.607 0.000 1.139 105 T CA -0.438 61.399 62.100 -0.439 0.000 0.992 105 T CB 0.058 68.766 68.868 -0.266 0.000 1.043 105 T HN 0.029 8.269 8.240 -0.000 0.000 0.498 106 F N 1.312 121.221 119.950 -0.069 0.000 2.343 106 F HA 0.334 4.861 4.527 0.001 0.000 0.286 106 F C 0.564 176.230 175.800 -0.223 0.000 1.057 106 F CA -0.216 57.684 58.000 -0.166 0.000 1.365 106 F CB 0.086 38.936 39.000 -0.249 0.000 1.114 106 F HN 0.296 8.596 8.300 -0.000 0.000 0.545 107 L N 1.247 122.443 121.223 -0.046 0.000 2.264 107 L HA 0.396 4.737 4.340 0.001 0.000 0.289 107 L C 0.046 176.791 176.870 -0.208 0.000 1.044 107 L CA -0.446 54.331 54.840 -0.105 0.000 0.807 107 L CB 0.898 42.908 42.059 -0.082 0.000 1.192 107 L HN 0.030 8.260 8.230 -0.000 0.000 0.425 108 R N 2.668 122.891 120.500 -0.460 0.000 2.494 108 R HA 0.759 5.099 4.340 0.001 0.000 0.305 108 R C -1.316 174.580 176.300 -0.673 0.000 0.959 108 R CA -0.334 55.348 56.100 -0.698 0.000 0.864 108 R CB 1.281 30.849 30.300 -1.220 0.000 1.159 108 R HN 0.738 9.008 8.270 -0.000 0.000 0.446 109 c N 1.819 120.193 118.600 -0.377 0.000 2.771 109 c HA 0.681 5.251 4.570 0.001 0.000 0.333 109 c C -0.540 173.472 174.090 -0.130 0.000 1.267 109 c CA -0.666 55.536 56.329 -0.212 0.000 1.721 109 c CB 1.711 43.968 42.510 -0.422 0.000 2.222 109 c HN 0.877 9.107 8.230 -0.000 0.000 0.485 110 E N -0.329 119.884 120.200 0.021 0.000 2.392 110 E HA 0.678 5.028 4.350 0.001 0.000 0.279 110 E C -1.407 175.223 176.600 0.049 0.000 0.964 110 E CA -0.292 56.129 56.400 0.036 0.000 0.777 110 E CB 2.097 31.905 29.700 0.181 0.000 1.249 110 E HN 0.971 9.331 8.360 -0.000 0.000 0.449 111 A N 2.127 124.952 122.820 0.008 0.000 2.435 111 A HA 0.509 4.829 4.320 0.001 0.000 0.304 111 A C -0.355 177.253 177.584 0.040 0.000 1.064 111 A CA -0.560 51.502 52.037 0.043 0.000 0.727 111 A CB 1.608 20.592 19.000 -0.026 0.000 1.284 111 A HN 0.602 8.752 8.150 -0.000 0.000 0.415 112 K N 0.040 120.476 120.400 0.061 0.000 2.361 112 K HA 0.141 4.462 4.320 0.001 0.000 0.194 112 K C -0.173 176.504 176.600 0.129 0.000 1.032 112 K CA 1.040 57.393 56.287 0.109 0.000 1.048 112 K CB 0.121 32.682 32.500 0.101 0.000 0.842 112 K HN 0.886 9.136 8.250 -0.000 0.000 0.526 113 N N -3.191 115.464 118.700 -0.075 0.000 3.405 113 N HA -0.033 4.708 4.740 0.001 0.000 0.292 113 N C -0.867 174.374 175.510 -0.448 0.000 1.456 113 N CA -0.740 52.064 53.050 -0.409 0.000 0.861 113 N CB -0.218 38.040 38.487 -0.382 0.000 1.643 113 N HN -0.207 8.173 8.380 -0.000 0.000 0.474 114 Y N 0.151 120.176 120.300 -0.459 0.000 2.496 114 Y HA 0.179 4.729 4.550 0.000 0.000 0.313 114 Y C 1.943 177.718 175.900 -0.208 0.000 1.184 114 Y CA 0.238 58.168 58.100 -0.283 0.000 1.275 114 Y CB -0.446 37.795 38.460 -0.366 0.000 1.103 114 Y HN 0.674 8.954 8.280 -0.000 0.000 0.513 115 S N -1.210 114.444 115.700 -0.077 0.000 2.423 115 S HA 0.002 4.473 4.470 0.001 0.000 0.231 115 S C 2.049 176.676 174.600 0.046 0.000 1.014 115 S CA 0.987 59.169 58.200 -0.030 0.000 0.965 115 S CB -0.349 62.834 63.200 -0.028 0.000 0.785 115 S HN 0.657 8.967 8.310 -0.000 0.000 0.495 116 G N 0.791 109.652 108.800 0.101 0.000 2.179 116 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 116 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 116 G C 0.075 175.143 174.900 0.281 0.000 0.990 116 G CA 0.012 45.222 45.100 0.184 0.000 0.646 116 G HN 0.747 9.037 8.290 -0.000 0.000 0.517 117 R N 0.083 120.703 120.500 0.201 0.000 2.428 117 R HA 0.736 5.077 4.340 0.001 0.000 0.294 117 R C -0.310 176.163 176.300 0.289 0.000 1.000 117 R CA -0.510 55.677 56.100 0.145 0.000 0.960 117 R CB 0.466 30.796 30.300 0.049 0.000 1.076 117 R HN 0.693 8.963 8.270 -0.000 0.000 0.475 118 F N -1.412 118.575 119.950 0.061 0.000 2.703 118 F HA 0.406 4.933 4.527 0.000 0.000 0.308 118 F C -1.534 174.315 175.800 0.082 0.000 1.126 118 F CA -0.956 57.078 58.000 0.056 0.000 0.959 118 F CB 1.581 40.613 39.000 0.054 0.000 1.297 118 F HN 0.231 8.531 8.300 -0.000 0.000 0.441 119 T N 1.786 116.503 114.554 0.272 0.000 2.855 119 T HA 0.631 4.981 4.350 0.001 0.000 0.281 119 T C -1.104 173.833 174.700 0.396 0.000 1.007 119 T CA -0.330 61.909 62.100 0.232 0.000 1.009 119 T CB 1.249 70.217 68.868 0.167 0.000 0.983 119 T HN 0.830 9.070 8.240 -0.000 0.000 0.455 120 c N 4.263 123.100 118.600 0.396 0.000 2.634 120 c HA 0.876 5.447 4.570 0.001 0.000 0.313 120 c C -0.984 173.382 174.090 0.460 0.000 1.198 120 c CA -0.964 55.596 56.329 0.385 0.000 1.605 120 c CB 0.967 43.720 42.510 0.405 0.000 2.196 120 c HN 0.940 9.170 8.230 -0.000 0.000 0.486 121 W N 0.975 122.392 121.300 0.196 0.000 3.118 121 W HA 0.702 5.362 4.660 0.001 0.000 0.328 121 W C -1.642 175.047 176.519 0.283 0.000 1.239 121 W CA -1.527 55.819 57.345 0.001 0.000 1.176 121 W CB 0.168 29.575 29.460 -0.087 0.000 1.433 121 W HN 0.986 9.166 8.180 -0.000 0.000 0.562 122 W N 0.540 121.924 121.300 0.141 0.000 3.039 122 W HA 0.826 5.486 4.660 0.001 0.000 0.354 122 W C -2.042 174.552 176.519 0.125 0.000 1.206 122 W CA -1.479 55.862 57.345 -0.006 0.000 1.134 122 W CB 0.727 30.057 29.460 -0.215 0.000 1.493 122 W HN 0.271 8.451 8.180 -0.000 0.000 0.591 123 L N 1.765 123.206 121.223 0.364 0.000 2.381 123 L HA 0.813 5.153 4.340 0.001 0.000 0.268 123 L C -0.253 176.763 176.870 0.243 0.000 0.997 123 L CA -0.778 54.232 54.840 0.283 0.000 0.818 123 L CB 2.121 44.324 42.059 0.241 0.000 1.310 123 L HN 0.647 8.877 8.230 -0.000 0.000 0.416 124 T N -1.473 113.217 114.554 0.227 0.000 2.864 124 T HA 0.417 4.767 4.350 0.001 0.000 0.299 124 T C 0.484 175.262 174.700 0.130 0.000 1.166 124 T CA 0.086 62.267 62.100 0.136 0.000 1.007 124 T CB 1.779 70.681 68.868 0.056 0.000 1.219 124 T HN 0.763 9.002 8.240 -0.000 0.000 0.506 125 T N 0.580 115.152 114.554 0.030 0.000 3.022 125 T HA 0.338 4.689 4.350 0.001 0.000 0.250 125 T C 0.766 175.356 174.700 -0.184 0.000 1.060 125 T CA -0.102 62.004 62.100 0.010 0.000 1.013 125 T CB -0.253 68.629 68.868 0.025 0.000 0.982 125 T HN 0.372 8.612 8.240 -0.000 0.000 0.508 126 I N 2.421 122.833 120.570 -0.263 0.000 2.882 126 I HA 0.270 4.440 4.170 0.001 0.000 0.286 126 I C 1.122 176.919 176.117 -0.535 0.000 1.139 126 I CA 0.174 61.227 61.300 -0.412 0.000 1.379 126 I CB 1.159 38.818 38.000 -0.567 0.000 1.410 126 I HN 0.098 8.308 8.210 -0.000 0.000 0.594 127 S N -0.362 115.068 115.700 -0.450 0.000 2.692 127 S HA 0.045 4.515 4.470 0.001 0.000 0.269 127 S C 0.777 175.294 174.600 -0.139 0.000 1.080 127 S CA 0.194 58.161 58.200 -0.388 0.000 1.058 127 S CB 0.017 62.957 63.200 -0.433 0.000 0.982 127 S HN 0.796 9.106 8.310 -0.000 0.000 0.534 128 T N 2.106 116.591 114.554 -0.115 0.000 3.976 128 T HA 0.075 4.425 4.350 0.001 0.000 0.393 128 T C -0.016 174.683 174.700 -0.003 0.000 1.208 128 T CA 0.019 62.105 62.100 -0.024 0.000 0.970 128 T CB -0.388 68.499 68.868 0.032 0.000 1.759 128 T HN 0.160 8.400 8.240 -0.000 0.000 0.527 129 D N 1.037 121.459 120.400 0.037 0.000 2.487 129 D HA 0.089 4.729 4.640 0.001 0.000 0.243 129 D C -0.787 175.520 176.300 0.012 0.000 1.154 129 D CA 0.540 54.554 54.000 0.023 0.000 0.876 129 D CB -0.148 40.660 40.800 0.014 0.000 1.161 129 D HN 0.399 8.769 8.370 -0.000 0.000 0.478 130 L N 3.749 124.929 121.223 -0.070 0.000 2.617 130 L HA 0.127 4.467 4.340 0.001 0.000 0.259 130 L C -0.102 176.597 176.870 -0.285 0.000 0.995 130 L CA -0.461 54.236 54.840 -0.238 0.000 0.899 130 L CB 1.714 43.607 42.059 -0.276 0.000 1.181 130 L HN 0.403 8.633 8.230 -0.000 0.000 0.437 131 T N -0.963 113.423 114.554 -0.280 0.000 2.929 131 T HA 0.738 5.088 4.350 0.001 0.000 0.284 131 T C -0.672 173.870 174.700 -0.264 0.000 1.014 131 T CA -0.472 61.535 62.100 -0.154 0.000 1.051 131 T CB 1.892 70.741 68.868 -0.032 0.000 1.028 131 T HN 0.094 8.334 8.240 -0.000 0.000 0.485 132 F N 0.728 120.758 119.950 0.133 0.000 2.557 132 F HA 0.631 5.158 4.527 0.000 0.000 0.316 132 F C 0.306 176.190 175.800 0.140 0.000 1.141 132 F CA -0.916 57.173 58.000 0.147 0.000 0.922 132 F CB 2.349 41.521 39.000 0.286 0.000 1.194 132 F HN 0.782 9.082 8.300 -0.000 0.000 0.443 133 S N 1.907 117.799 115.700 0.320 0.000 2.638 133 S HA 0.931 5.401 4.470 0.001 0.000 0.298 133 S C -1.327 173.364 174.600 0.153 0.000 1.111 133 S CA -0.397 57.924 58.200 0.201 0.000 1.027 133 S CB 1.322 64.611 63.200 0.149 0.000 1.064 133 S HN 0.365 8.675 8.310 -0.000 0.000 0.525 134 V N 2.234 122.222 119.914 0.123 0.000 2.655 134 V HA 0.778 4.899 4.120 0.001 0.000 0.301 134 V C 0.012 176.147 176.094 0.069 0.000 1.082 134 V CA -0.720 61.636 62.300 0.092 0.000 0.899 134 V CB 1.037 32.946 31.823 0.145 0.000 1.014 134 V HN 1.081 9.271 8.190 -0.000 0.000 0.429 135 K N 1.349 121.777 120.400 0.047 0.000 2.409 135 K HA 1.013 5.333 4.320 0.001 0.000 0.252 135 K C -0.454 176.170 176.600 0.041 0.000 1.036 135 K CA -0.287 56.022 56.287 0.037 0.000 0.871 135 K CB 2.141 34.654 32.500 0.022 0.000 1.374 135 K HN 1.088 9.338 8.250 -0.000 0.000 0.459 136 S N -0.801 114.922 115.700 0.038 0.000 2.578 136 S HA 0.742 5.213 4.470 0.001 0.000 0.272 136 S C -1.480 173.140 174.600 0.033 0.000 1.145 136 S CA 0.376 58.607 58.200 0.052 0.000 0.835 136 S CB 0.914 64.199 63.200 0.141 0.000 1.104 136 S HN 2.187 10.497 8.310 -0.000 0.000 0.458 137 S N 2.296 118.000 115.700 0.007 0.000 2.636 137 S HA 0.657 5.127 4.470 0.001 0.000 0.268 137 S C -1.624 172.951 174.600 -0.042 0.000 1.159 137 S CA -0.967 57.231 58.200 -0.004 0.000 0.815 137 S CB 1.540 64.729 63.200 -0.018 0.000 1.130 137 S HN 0.890 9.200 8.310 -0.000 0.000 0.471 138 R N 0.615 121.096 120.500 -0.031 0.000 2.288 138 R HA 0.595 4.936 4.340 0.001 0.000 0.326 138 R C 0.235 176.505 176.300 -0.050 0.000 0.959 138 R CA 0.699 56.766 56.100 -0.056 0.000 0.834 138 R CB 0.619 30.908 30.300 -0.018 0.000 1.157 138 R HN 1.826 10.096 8.270 -0.000 0.000 0.470 139 G N 1.294 110.047 108.800 -0.078 0.000 2.662 139 G HA2 -0.195 3.766 3.960 0.001 0.000 0.686 139 G HA3 -0.195 3.766 3.960 0.001 0.000 0.686 139 G C -0.454 174.409 174.900 -0.061 0.000 1.271 139 G CA -0.260 44.805 45.100 -0.058 0.000 0.816 139 G HN 0.552 8.842 8.290 -0.000 0.000 0.608 140 S N -0.837 114.832 115.700 -0.052 0.000 3.334 140 S HA 0.315 4.785 4.470 0.001 0.000 0.224 140 S C 1.536 176.114 174.600 -0.038 0.000 0.959 140 S CA 0.823 58.992 58.200 -0.051 0.000 0.815 140 S CB 0.374 63.539 63.200 -0.058 0.000 0.861 140 S HN 1.151 9.461 8.310 -0.000 0.000 0.596 141 S N 3.126 118.807 115.700 -0.032 0.000 3.806 141 S HA 0.199 4.670 4.470 0.001 0.000 0.218 141 S C -0.700 173.889 174.600 -0.018 0.000 1.146 141 S CA 0.426 58.612 58.200 -0.023 0.000 1.030 141 S CB -1.016 62.173 63.200 -0.019 0.000 1.617 141 S HN 0.524 8.834 8.310 -0.000 0.000 0.487 142 D N 1.129 121.517 120.400 -0.020 0.000 2.941 142 D HA -0.091 4.549 4.640 0.001 0.000 0.196 142 D C -2.491 173.800 176.300 -0.015 0.000 0.994 142 D CA -0.484 53.508 54.000 -0.014 0.000 0.899 142 D CB -0.646 40.149 40.800 -0.009 0.000 0.885 142 D HN 0.276 8.646 8.370 -0.000 0.000 0.420 143 P HA 0.207 4.627 4.420 -0.000 0.000 0.271 143 P C -0.453 176.842 177.300 -0.010 0.000 1.244 143 P CA -0.030 63.057 63.100 -0.021 0.000 0.793 143 P CB 0.641 32.326 31.700 -0.025 0.000 0.984 144 Q N -0.783 119.013 119.800 -0.005 0.000 2.423 144 Q HA 0.486 4.826 4.340 0.001 0.000 0.278 144 Q C 0.054 176.062 176.000 0.013 0.000 1.097 144 Q CA -0.653 55.154 55.803 0.006 0.000 0.809 144 Q CB 2.164 30.910 28.738 0.013 0.000 1.391 144 Q HN 0.622 8.892 8.270 -0.000 0.000 0.428 145 G N 0.203 109.015 108.800 0.019 0.000 2.406 145 G HA2 0.437 4.397 3.960 0.001 0.000 0.251 145 G HA3 0.437 4.397 3.960 0.001 0.000 0.251 145 G C -0.610 174.315 174.900 0.042 0.000 1.271 145 G CA -0.049 45.066 45.100 0.025 0.000 0.859 145 G HN 0.230 8.520 8.290 -0.000 0.000 0.540 146 V N 1.642 121.583 119.914 0.044 0.000 2.709 146 V HA 0.522 4.643 4.120 0.001 0.000 0.308 146 V C -0.055 176.057 176.094 0.031 0.000 1.062 146 V CA -0.720 61.618 62.300 0.063 0.000 0.901 146 V CB 2.413 34.304 31.823 0.113 0.000 1.003 146 V HN 0.791 8.981 8.190 -0.000 0.000 0.425 147 T N 3.342 117.901 114.554 0.008 0.000 2.786 147 T HA 0.452 4.803 4.350 0.001 0.000 0.283 147 T C -0.459 174.217 174.700 -0.040 0.000 0.992 147 T CA -0.202 61.894 62.100 -0.007 0.000 0.954 147 T CB 0.873 69.739 68.868 -0.003 0.000 0.934 147 T HN 0.719 8.959 8.240 -0.000 0.000 0.440 148 c N 2.765 121.351 118.600 -0.023 0.000 2.454 148 c HA 0.872 5.442 4.570 0.001 0.000 0.336 148 c C 1.587 175.673 174.090 -0.007 0.000 1.189 148 c CA -0.531 55.775 56.329 -0.037 0.000 1.877 148 c CB 1.084 43.590 42.510 -0.007 0.000 2.348 148 c HN 1.092 9.322 8.230 -0.000 0.000 0.508 149 G N 0.877 109.670 108.800 -0.012 0.000 2.783 149 G HA2 0.614 4.574 3.960 0.001 0.000 0.182 149 G HA3 0.614 4.574 3.960 0.001 0.000 0.182 149 G C -0.632 174.297 174.900 0.048 0.000 1.516 149 G CA 0.240 45.346 45.100 0.011 0.000 1.079 149 G HN 1.175 9.465 8.290 -0.000 0.000 0.573 150 A N -1.456 121.396 122.820 0.054 0.000 2.374 150 A HA 0.776 5.096 4.320 0.001 0.000 0.305 150 A C 0.320 177.965 177.584 0.103 0.000 1.053 150 A CA 0.166 52.258 52.037 0.092 0.000 0.726 150 A CB 1.020 20.070 19.000 0.084 0.000 1.229 150 A HN 2.005 10.155 8.150 -0.000 0.000 0.431 151 A N 1.709 124.635 122.820 0.177 0.000 2.642 151 A HA 0.452 4.773 4.320 0.001 0.000 0.228 151 A C 0.615 178.285 177.584 0.144 0.000 1.045 151 A CA 1.545 53.710 52.037 0.213 0.000 0.760 151 A CB -0.222 19.035 19.000 0.427 0.000 0.958 151 A HN 1.481 9.631 8.150 -0.000 0.000 0.505 152 T N 0.503 115.085 114.554 0.046 0.000 2.907 152 T HA 0.358 4.708 4.350 0.001 0.000 0.344 152 T C -0.903 173.591 174.700 -0.343 0.000 1.675 152 T CA -0.635 61.424 62.100 -0.069 0.000 1.076 152 T CB 0.597 69.426 68.868 -0.066 0.000 1.483 152 T HN 1.042 9.282 8.240 -0.000 0.000 0.487 153 L N 2.453 123.422 121.223 -0.424 0.000 2.462 153 L HA 0.429 4.769 4.340 0.001 0.000 0.272 153 L C 0.913 177.586 176.870 -0.329 0.000 1.166 153 L CA 1.106 55.609 54.840 -0.563 0.000 0.880 153 L CB 0.637 42.477 42.059 -0.365 0.000 1.142 153 L HN 0.732 8.962 8.230 -0.000 0.000 0.473 154 S N 3.226 118.737 115.700 -0.315 0.000 2.613 154 S HA 0.682 5.153 4.470 0.001 0.000 0.235 154 S C 0.096 174.582 174.600 -0.190 0.000 1.073 154 S CA 0.225 58.294 58.200 -0.220 0.000 0.899 154 S CB 0.546 63.617 63.200 -0.214 0.000 0.818 154 S HN 0.851 9.161 8.310 -0.000 0.000 0.484 155 A N 0.884 123.589 122.820 -0.192 0.000 2.586 155 A HA 0.687 5.008 4.320 0.001 0.000 0.291 155 A C -1.609 175.865 177.584 -0.183 0.000 1.062 155 A CA -0.784 51.151 52.037 -0.169 0.000 0.666 155 A CB 0.973 19.883 19.000 -0.150 0.000 1.281 155 A HN 0.120 8.270 8.150 -0.000 0.000 0.421 165 Y N 1.915 122.303 120.300 0.146 0.000 2.341 165 Y HA 0.360 4.911 4.550 0.001 0.000 0.338 165 Y C 0.110 176.197 175.900 0.311 0.000 0.965 165 Y CA -1.045 57.172 58.100 0.195 0.000 1.108 165 Y CB 1.784 40.409 38.460 0.275 0.000 1.180 165 Y HN 0.535 8.815 8.280 -0.000 0.000 0.458 166 E N 3.121 123.477 120.200 0.259 0.000 2.175 166 E HA 0.436 4.786 4.350 0.001 0.000 0.278 166 E C -1.748 174.889 176.600 0.062 0.000 0.969 166 E CA -0.495 56.028 56.400 0.206 0.000 0.796 166 E CB 0.759 30.491 29.700 0.053 0.000 1.104 166 E HN 0.532 8.892 8.360 -0.000 0.000 0.395 167 Y N 1.301 121.355 120.300 -0.409 0.000 2.524 167 Y HA 0.455 5.006 4.550 0.001 0.000 0.344 167 Y C 0.225 175.554 175.900 -0.952 0.000 1.012 167 Y CA -0.969 56.729 58.100 -0.670 0.000 1.068 167 Y CB 2.197 40.130 38.460 -0.878 0.000 1.249 167 Y HN 0.616 8.896 8.280 -0.000 0.000 0.468 168 S N 0.445 115.815 115.700 -0.549 0.000 2.638 168 S HA 0.911 5.381 4.470 0.001 0.000 0.274 168 S C -1.607 172.865 174.600 -0.213 0.000 1.157 168 S CA -0.684 57.296 58.200 -0.367 0.000 0.826 168 S CB 1.831 64.961 63.200 -0.117 0.000 1.139 168 S HN 0.935 9.245 8.310 -0.000 0.000 0.474 169 V N -0.154 119.756 119.914 -0.007 0.000 3.216 169 V HA 0.717 4.838 4.120 0.001 0.000 0.302 169 V C -2.086 174.035 176.094 0.044 0.000 1.286 169 V CA -0.596 61.742 62.300 0.063 0.000 1.048 169 V CB 2.160 34.097 31.823 0.191 0.000 1.081 169 V HN 1.074 9.264 8.190 -0.000 0.000 0.442 170 E N 2.424 122.613 120.200 -0.018 0.000 2.234 170 E HA 0.623 4.973 4.350 0.001 0.000 0.266 170 E C -1.437 175.039 176.600 -0.206 0.000 0.877 170 E CA -0.274 56.063 56.400 -0.104 0.000 0.758 170 E CB 1.876 31.534 29.700 -0.070 0.000 1.170 170 E HN 0.841 9.201 8.360 -0.000 0.000 0.415 171 c N 1.226 119.546 118.600 -0.467 0.000 2.971 171 c HA 0.618 5.189 4.570 0.001 0.000 0.310 171 c C -0.597 173.193 174.090 -0.500 0.000 1.285 171 c CA -0.762 55.242 56.329 -0.541 0.000 1.593 171 c CB 1.884 43.900 42.510 -0.825 0.000 2.076 171 c HN 0.762 8.992 8.230 -0.000 0.000 0.472 172 Q N 0.919 120.576 119.800 -0.238 0.000 2.263 172 Q HA 0.355 4.695 4.340 0.001 0.000 0.266 172 Q C -0.801 175.227 176.000 0.046 0.000 1.002 172 Q CA -0.008 55.758 55.803 -0.062 0.000 0.790 172 Q CB 1.149 29.866 28.738 -0.035 0.000 1.272 172 Q HN 0.754 9.024 8.270 -0.000 0.000 0.435 173 E N 2.649 122.945 120.200 0.160 0.000 2.413 173 E HA -0.042 4.309 4.350 0.001 0.000 0.263 173 E C -0.306 176.345 176.600 0.086 0.000 1.015 173 E CA -0.001 56.493 56.400 0.157 0.000 0.916 173 E CB 0.776 30.586 29.700 0.184 0.000 0.947 173 E HN 0.710 9.070 8.360 -0.000 0.000 0.440 174 D N 1.545 121.984 120.400 0.065 0.000 2.083 174 D HA -0.103 4.538 4.640 0.001 0.000 0.199 174 D C 0.430 176.753 176.300 0.038 0.000 0.980 174 D CA 1.121 55.146 54.000 0.042 0.000 0.851 174 D CB -0.149 40.670 40.800 0.032 0.000 0.997 174 D HN 0.235 8.605 8.370 -0.000 0.000 0.449 175 S N -0.020 115.702 115.700 0.036 0.000 3.315 175 S HA 0.520 4.990 4.470 0.001 0.000 0.195 175 S C -0.654 173.969 174.600 0.038 0.000 1.394 175 S CA -0.601 57.618 58.200 0.031 0.000 0.983 175 S CB -0.400 62.815 63.200 0.024 0.000 1.370 175 S HN 0.277 8.587 8.310 -0.000 0.000 0.491 176 A N 2.567 125.414 122.820 0.045 0.000 2.316 176 A HA 0.428 4.748 4.320 0.001 0.000 0.311 176 A C 0.260 177.873 177.584 0.048 0.000 1.339 176 A CA -0.496 51.574 52.037 0.055 0.000 0.960 176 A CB -0.251 18.793 19.000 0.074 0.000 1.152 176 A HN 0.720 8.870 8.150 -0.000 0.000 0.547 177 C N 5.810 125.142 119.300 0.053 0.000 2.373 177 C HA 0.495 4.955 4.460 0.001 0.000 0.354 177 C C -0.842 174.196 174.990 0.080 0.000 1.249 177 C CA -1.584 57.466 59.018 0.053 0.000 1.784 177 C CB 0.012 27.781 27.740 0.048 0.000 2.408 177 C HN 0.793 9.023 8.230 -0.000 0.000 0.542 178 P HA -0.068 4.352 4.420 -0.000 0.000 0.219 178 P C 1.092 178.523 177.300 0.220 0.000 1.146 178 P CA 1.531 64.668 63.100 0.062 0.000 0.808 178 P CB 0.110 31.727 31.700 -0.138 0.000 0.779 179 A N -0.806 122.173 122.820 0.265 0.000 2.238 179 A HA 0.385 4.706 4.320 0.001 0.000 0.208 179 A C 1.225 178.910 177.584 0.168 0.000 1.177 179 A CA 0.217 52.431 52.037 0.295 0.000 0.804 179 A CB -0.971 18.121 19.000 0.153 0.000 0.823 179 A HN 0.220 8.370 8.150 -0.000 0.000 0.482 180 A N 0.810 123.704 122.820 0.122 0.000 2.492 180 A HA 0.332 4.653 4.320 0.001 0.000 0.254 180 A C 0.063 177.687 177.584 0.068 0.000 1.091 180 A CA -0.206 51.880 52.037 0.082 0.000 0.768 180 A CB -0.158 18.887 19.000 0.075 0.000 1.028 180 A HN 0.547 8.697 8.150 -0.000 0.000 0.498 181 E N 2.119 122.339 120.200 0.034 0.000 2.366 181 E HA 0.097 4.448 4.350 0.001 0.000 0.266 181 E C -0.263 176.331 176.600 -0.011 0.000 1.015 181 E CA 0.204 56.603 56.400 -0.001 0.000 0.906 181 E CB 0.513 30.201 29.700 -0.020 0.000 0.979 181 E HN 0.696 9.056 8.360 -0.000 0.000 0.443 182 E N 1.214 121.386 120.200 -0.047 0.000 2.331 182 E HA 0.117 4.467 4.350 0.001 0.000 0.272 182 E C 0.235 176.784 176.600 -0.086 0.000 1.036 182 E CA -0.123 56.270 56.400 -0.011 0.000 0.864 182 E CB 1.118 30.850 29.700 0.054 0.000 1.035 182 E HN 0.501 8.861 8.360 -0.000 0.000 0.408 183 S N 2.324 118.060 115.700 0.060 0.000 2.904 183 S HA 0.215 4.685 4.470 0.001 0.000 0.260 183 S C -0.208 174.534 174.600 0.237 0.000 1.000 183 S CA -0.481 57.757 58.200 0.062 0.000 1.274 183 S CB 0.234 63.438 63.200 0.007 0.000 1.196 183 S HN 0.337 8.647 8.310 -0.000 0.000 0.678 184 L N 2.800 124.203 121.223 0.301 0.000 2.436 184 L HA 0.622 4.962 4.340 0.001 0.000 0.268 184 L C -2.701 174.229 176.870 0.100 0.000 0.974 184 L CA -2.178 52.762 54.840 0.167 0.000 0.826 184 L CB 3.004 45.097 42.059 0.056 0.000 1.291 184 L HN 0.039 8.269 8.230 -0.000 0.000 0.406 185 P HA 0.262 4.682 4.420 -0.000 0.000 0.276 185 P C -0.631 176.418 177.300 -0.417 0.000 1.261 185 P CA -0.385 62.351 63.100 -0.606 0.000 0.800 185 P CB 1.411 32.489 31.700 -1.037 0.000 1.066 186 I N 0.791 121.022 120.570 -0.566 0.000 2.472 186 I HA 0.187 4.358 4.170 0.001 0.000 0.290 186 I C 0.554 176.232 176.117 -0.732 0.000 1.016 186 I CA -0.203 60.748 61.300 -0.581 0.000 1.348 186 I CB 0.680 38.243 38.000 -0.728 0.000 1.417 186 I HN 0.289 8.499 8.210 -0.000 0.000 0.521 187 E N 4.276 124.211 120.200 -0.442 0.000 2.187 187 E HA 0.486 4.837 4.350 0.001 0.000 0.268 187 E C -1.261 175.220 176.600 -0.197 0.000 0.896 187 E CA -0.508 55.690 56.400 -0.338 0.000 0.766 187 E CB 2.468 32.045 29.700 -0.205 0.000 1.142 187 E HN 0.191 8.551 8.360 -0.000 0.000 0.408 188 V N 3.502 123.343 119.914 -0.123 0.000 2.417 188 V HA 0.426 4.546 4.120 0.001 0.000 0.291 188 V C -0.686 175.404 176.094 -0.007 0.000 1.024 188 V CA -0.748 61.572 62.300 0.033 0.000 0.861 188 V CB 1.264 33.207 31.823 0.200 0.000 0.985 188 V HN 0.670 8.860 8.190 -0.000 0.000 0.436 189 M N 5.529 125.122 119.600 -0.012 0.000 2.149 189 M HA 0.534 5.015 4.480 0.001 0.000 0.342 189 M C -0.747 175.518 176.300 -0.057 0.000 1.068 189 M CA -0.085 55.192 55.300 -0.039 0.000 0.991 189 M CB 1.696 34.274 32.600 -0.035 0.000 1.596 189 M HN 0.375 8.665 8.290 -0.000 0.000 0.439 190 V N 3.208 123.060 119.914 -0.104 0.000 2.448 190 V HA 0.427 4.547 4.120 0.001 0.000 0.295 190 V C -0.786 175.262 176.094 -0.077 0.000 1.025 190 V CA -0.877 61.316 62.300 -0.177 0.000 0.859 190 V CB 1.910 33.423 31.823 -0.518 0.000 0.988 190 V HN 0.620 8.810 8.190 -0.000 0.000 0.431 191 D N 3.854 124.259 120.400 0.009 0.000 2.232 191 D HA 0.686 5.326 4.640 0.001 0.000 0.242 191 D C -0.114 176.294 176.300 0.180 0.000 1.093 191 D CA 0.167 54.200 54.000 0.055 0.000 0.845 191 D CB 2.006 42.905 40.800 0.163 0.000 1.124 191 D HN 0.731 9.101 8.370 -0.000 0.000 0.467 192 A N 2.229 125.076 122.820 0.045 0.000 2.343 192 A HA 0.627 4.947 4.320 0.001 0.000 0.316 192 A C -0.935 176.602 177.584 -0.078 0.000 1.104 192 A CA -0.619 51.490 52.037 0.121 0.000 0.768 192 A CB 1.292 20.468 19.000 0.293 0.000 1.213 192 A HN 0.325 8.475 8.150 -0.000 0.000 0.456 193 V N 3.875 123.721 119.914 -0.113 0.000 2.445 193 V HA 0.250 4.371 4.120 0.001 0.000 0.283 193 V C -1.041 175.010 176.094 -0.072 0.000 1.014 193 V CA -0.363 61.910 62.300 -0.046 0.000 0.852 193 V CB 1.254 33.089 31.823 0.019 0.000 1.021 193 V HN 0.974 9.164 8.190 -0.000 0.000 0.435 194 H N 5.589 124.567 119.070 -0.154 0.000 2.661 194 H HA 0.610 5.166 4.556 0.001 0.000 0.290 194 H C 0.206 175.451 175.328 -0.138 0.000 1.082 194 H CA -0.052 55.897 56.048 -0.164 0.000 1.234 194 H CB 0.283 29.953 29.762 -0.153 0.000 1.387 194 H HN 0.748 9.028 8.280 -0.000 0.000 0.476 195 K N 1.771 122.060 120.400 -0.184 0.000 4.789 195 K HA -0.251 4.070 4.320 0.001 0.000 0.215 195 K C 0.186 176.682 176.600 -0.174 0.000 1.488 195 K CA 1.295 57.412 56.287 -0.283 0.000 0.622 195 K CB -1.224 30.923 32.500 -0.588 0.000 0.708 195 K HN 0.515 8.765 8.250 -0.000 0.000 0.620 196 L N 0.848 121.953 121.223 -0.196 0.000 2.607 196 L HA 0.162 4.502 4.340 0.001 0.000 0.228 196 L C 0.847 177.780 176.870 0.104 0.000 1.123 196 L CA 0.090 54.909 54.840 -0.035 0.000 0.890 196 L CB 0.082 42.159 42.059 0.030 0.000 1.103 196 L HN 0.213 8.443 8.230 -0.000 0.000 0.468 197 K N 0.473 120.897 120.400 0.041 0.000 2.174 197 K HA 0.114 4.434 4.320 0.001 0.000 0.275 197 K C -1.415 175.261 176.600 0.126 0.000 1.015 197 K CA -0.448 55.954 56.287 0.192 0.000 0.933 197 K CB 0.855 33.408 32.500 0.088 0.000 1.025 197 K HN -0.144 8.106 8.250 -0.000 0.000 0.463 198 Y N 3.375 123.668 120.300 -0.012 0.000 2.326 198 Y HA 0.274 4.825 4.550 0.001 0.000 0.331 198 Y C -1.029 174.768 175.900 -0.171 0.000 0.962 198 Y CA -0.439 57.588 58.100 -0.123 0.000 1.167 198 Y CB 1.155 39.469 38.460 -0.243 0.000 1.148 198 Y HN 0.645 8.925 8.280 -0.000 0.000 0.463 199 E N 3.513 123.209 120.200 -0.839 0.000 2.355 199 E HA 0.436 4.787 4.350 0.001 0.000 0.261 199 E C -1.439 174.470 176.600 -1.153 0.000 0.943 199 E CA -1.462 54.447 56.400 -0.817 0.000 0.806 199 E CB 1.901 31.368 29.700 -0.389 0.000 1.286 199 E HN 0.667 9.027 8.360 -0.000 0.000 0.424 200 N N -0.074 118.055 118.700 -0.952 0.000 2.452 200 N HA 0.220 4.961 4.740 0.001 0.000 0.277 200 N C -1.997 173.073 175.510 -0.733 0.000 1.078 200 N CA -0.519 52.139 53.050 -0.654 0.000 0.947 200 N CB 0.387 38.616 38.487 -0.429 0.000 1.655 200 N HN 0.302 8.682 8.380 -0.000 0.000 0.490 201 Y N -0.051 120.076 120.300 -0.289 0.000 2.568 201 Y HA 0.815 5.366 4.550 0.001 0.000 0.327 201 Y C 0.638 176.445 175.900 -0.155 0.000 1.163 201 Y CA -0.765 57.201 58.100 -0.222 0.000 1.219 201 Y CB 2.250 40.544 38.460 -0.276 0.000 1.308 201 Y HN 0.624 8.904 8.280 -0.000 0.000 0.503 202 T N 0.576 115.178 114.554 0.081 0.000 2.956 202 T HA 0.530 4.880 4.350 0.001 0.000 0.312 202 T C -1.648 173.072 174.700 0.034 0.000 1.151 202 T CA -0.633 61.475 62.100 0.014 0.000 1.024 202 T CB 1.060 69.914 68.868 -0.023 0.000 1.140 202 T HN 0.572 8.812 8.240 -0.000 0.000 0.473 203 S N 2.272 117.974 115.700 0.003 0.000 2.571 203 S HA 0.713 5.183 4.470 0.001 0.000 0.284 203 S C -1.145 173.399 174.600 -0.094 0.000 1.128 203 S CA -0.446 57.769 58.200 0.024 0.000 0.970 203 S CB 1.469 64.745 63.200 0.126 0.000 1.039 203 S HN 0.594 8.904 8.310 -0.000 0.000 0.485 204 S N 3.839 119.464 115.700 -0.124 0.000 2.449 204 S HA 0.885 5.356 4.470 0.001 0.000 0.310 204 S C -1.139 173.299 174.600 -0.270 0.000 1.096 204 S CA -0.545 57.463 58.200 -0.320 0.000 1.095 204 S CB 0.318 63.360 63.200 -0.263 0.000 1.007 204 S HN 0.626 8.936 8.310 -0.000 0.000 0.474 205 F N 0.380 120.121 119.950 -0.348 0.000 2.741 205 F HA 0.730 5.258 4.527 0.001 0.000 0.313 205 F C -1.847 173.673 175.800 -0.467 0.000 1.153 205 F CA -1.892 55.886 58.000 -0.370 0.000 0.931 205 F CB 0.625 39.480 39.000 -0.242 0.000 1.335 205 F HN 0.341 8.641 8.300 -0.000 0.000 0.460 206 F N 1.858 121.897 119.950 0.148 0.000 2.443 206 F HA 0.493 5.020 4.527 0.001 0.000 0.335 206 F C 1.218 177.082 175.800 0.106 0.000 1.104 206 F CA -0.704 57.320 58.000 0.041 0.000 1.013 206 F CB 1.599 40.563 39.000 -0.060 0.000 1.136 206 F HN 0.485 8.785 8.300 -0.000 0.000 0.470 207 I N 2.723 123.443 120.570 0.250 0.000 2.236 207 I HA -0.317 3.854 4.170 0.001 0.000 0.249 207 I C 2.702 178.805 176.117 -0.023 0.000 1.102 207 I CA 1.533 62.876 61.300 0.072 0.000 1.365 207 I CB -0.377 37.656 38.000 0.055 0.000 1.051 207 I HN 0.585 8.795 8.210 -0.000 0.000 0.420 208 R N -0.092 120.412 120.500 0.007 0.000 2.193 208 R HA -0.152 4.189 4.340 0.001 0.000 0.229 208 R C 1.032 177.321 176.300 -0.019 0.000 1.110 208 R CA 1.719 57.783 56.100 -0.060 0.000 0.988 208 R CB -0.659 29.472 30.300 -0.281 0.000 0.871 208 R HN 0.298 8.568 8.270 -0.000 0.000 0.458 209 D N 1.449 121.860 120.400 0.018 0.000 2.333 209 D HA 0.023 4.663 4.640 0.001 0.000 0.208 209 D C 1.566 177.853 176.300 -0.021 0.000 0.984 209 D CA 0.744 54.772 54.000 0.047 0.000 0.873 209 D CB 0.210 41.077 40.800 0.113 0.000 0.935 209 D HN 0.562 8.932 8.370 -0.000 0.000 0.521 210 I N -2.080 118.432 120.570 -0.097 0.000 3.914 210 I HA 0.275 4.445 4.170 0.001 0.000 0.333 210 I C 0.175 176.219 176.117 -0.123 0.000 1.449 210 I CA -0.338 60.856 61.300 -0.177 0.000 1.135 210 I CB 0.064 37.804 38.000 -0.434 0.000 1.073 210 I HN -0.301 7.909 8.210 -0.000 0.000 0.401 211 I N 2.408 122.928 120.570 -0.083 0.000 2.575 211 I HA 0.206 4.376 4.170 0.001 0.000 0.285 211 I C 0.255 176.357 176.117 -0.024 0.000 1.085 211 I CA 0.035 61.306 61.300 -0.048 0.000 1.403 211 I CB 0.968 38.941 38.000 -0.046 0.000 1.409 211 I HN 0.275 8.485 8.210 -0.000 0.000 0.557 212 K N 8.578 128.982 120.400 0.007 0.000 2.668 212 K HA 0.430 4.751 4.320 0.001 0.000 0.246 212 K C -2.772 173.839 176.600 0.019 0.000 0.976 212 K CA -1.418 54.859 56.287 -0.016 0.000 0.902 212 K CB 2.072 34.572 32.500 -0.000 0.000 1.172 212 K HN 0.219 8.469 8.250 -0.000 0.000 0.452 213 P HA 0.199 4.619 4.420 -0.000 0.000 0.282 213 P C -0.727 176.562 177.300 -0.017 0.000 1.259 213 P CA -0.395 62.711 63.100 0.009 0.000 0.826 213 P CB 1.038 32.588 31.700 -0.250 0.000 1.064 214 D N 1.620 122.050 120.400 0.050 0.000 2.335 214 D HA 0.128 4.768 4.640 0.001 0.000 0.236 214 D C -1.967 174.325 176.300 -0.014 0.000 1.297 214 D CA -0.577 53.441 54.000 0.031 0.000 0.906 214 D CB -0.804 40.040 40.800 0.074 0.000 1.164 214 D HN 0.278 8.648 8.370 -0.000 0.000 0.469 215 P HA 0.236 4.656 4.420 -0.000 0.000 0.276 215 P C -2.540 174.756 177.300 -0.008 0.000 1.252 215 P CA -1.144 61.941 63.100 -0.026 0.000 0.802 215 P CB 0.005 31.700 31.700 -0.008 0.000 1.035 216 P HA 0.024 4.444 4.420 -0.000 0.000 0.264 216 P C -0.420 176.907 177.300 0.044 0.000 1.183 216 P CA 0.375 63.446 63.100 -0.049 0.000 0.763 216 P CB 0.255 31.757 31.700 -0.330 0.000 0.807 217 K N 4.184 124.657 120.400 0.121 0.000 2.156 217 K HA 0.172 4.492 4.320 0.001 0.000 0.271 217 K C 0.203 176.884 176.600 0.136 0.000 0.995 217 K CA -0.548 55.812 56.287 0.122 0.000 0.890 217 K CB 0.316 32.899 32.500 0.139 0.000 1.073 217 K HN 0.635 8.885 8.250 -0.000 0.000 0.454 218 N N 3.763 122.523 118.700 0.101 0.000 2.629 218 N HA -0.209 4.532 4.740 0.001 0.000 0.278 218 N C -1.121 174.454 175.510 0.108 0.000 1.102 218 N CA 0.485 53.587 53.050 0.088 0.000 0.759 218 N CB -1.246 37.283 38.487 0.070 0.000 0.911 218 N HN 0.410 8.790 8.380 -0.000 0.000 0.553 219 L N 0.687 121.981 121.223 0.119 0.000 2.472 219 L HA 0.164 4.504 4.340 0.001 0.000 0.273 219 L C 1.180 178.101 176.870 0.085 0.000 1.254 219 L CA 0.949 55.876 54.840 0.145 0.000 0.823 219 L CB 0.130 42.256 42.059 0.111 0.000 1.096 219 L HN 0.507 8.737 8.230 -0.000 0.000 0.521 220 Q N 0.816 120.664 119.800 0.079 0.000 2.403 220 Q HA 0.445 4.785 4.340 0.001 0.000 0.267 220 Q C -1.711 174.308 176.000 0.031 0.000 0.991 220 Q CA -0.780 55.045 55.803 0.037 0.000 0.906 220 Q CB 2.227 30.972 28.738 0.012 0.000 1.422 220 Q HN 0.219 8.489 8.270 -0.000 0.000 0.400 221 L N 1.533 122.767 121.223 0.018 0.000 2.352 221 L HA 0.545 4.885 4.340 0.001 0.000 0.269 221 L C 0.095 176.966 176.870 0.001 0.000 1.034 221 L CA -0.067 54.781 54.840 0.012 0.000 0.806 221 L CB 0.910 42.974 42.059 0.007 0.000 1.244 221 L HN 0.651 8.881 8.230 -0.000 0.000 0.447 222 K N 2.111 122.509 120.400 -0.002 0.000 3.333 222 K HA 0.274 4.595 4.320 0.001 0.000 0.173 222 K C -2.667 173.929 176.600 -0.006 0.000 1.138 222 K CA -0.991 55.291 56.287 -0.008 0.000 0.771 222 K CB 0.667 33.158 32.500 -0.016 0.000 0.982 222 K HN 0.303 8.553 8.250 -0.000 0.000 0.572 223 P HA -0.043 4.377 4.420 -0.000 0.000 0.267 223 P C -0.621 176.676 177.300 -0.005 0.000 1.195 223 P CA 0.156 63.253 63.100 -0.004 0.000 0.773 223 P CB 0.891 32.588 31.700 -0.005 0.000 0.837 224 L N 0.763 121.984 121.223 -0.004 0.000 2.354 224 L HA 0.484 4.825 4.340 0.001 0.000 0.269 224 L C 0.808 177.675 176.870 -0.004 0.000 1.005 224 L CA -1.241 53.597 54.840 -0.004 0.000 0.819 224 L CB 1.998 44.055 42.059 -0.004 0.000 1.311 224 L HN 0.339 8.569 8.230 -0.000 0.000 0.423 225 K N 1.675 122.072 120.400 -0.004 0.000 2.295 225 K HA 0.100 4.420 4.320 0.001 0.000 0.270 225 K C -0.086 176.512 176.600 -0.003 0.000 1.011 225 K CA 0.198 56.483 56.287 -0.003 0.000 0.953 225 K CB 0.200 32.698 32.500 -0.003 0.000 0.956 225 K HN 0.687 8.937 8.250 -0.000 0.000 0.477 226 N N 1.382 120.081 118.700 -0.003 0.000 2.648 226 N HA -0.208 4.532 4.740 0.001 0.000 0.265 226 N C -1.874 173.634 175.510 -0.002 0.000 1.100 226 N CA 0.622 53.670 53.050 -0.002 0.000 0.715 226 N CB -0.524 37.962 38.487 -0.002 0.000 0.881 226 N HN 0.483 8.863 8.380 -0.000 0.000 0.548 227 S N -0.624 115.074 115.700 -0.002 0.000 2.744 227 S HA 0.128 4.598 4.470 0.001 0.000 0.310 227 S C -0.041 174.557 174.600 -0.003 0.000 0.896 227 S CA -0.823 57.376 58.200 -0.002 0.000 0.807 227 S CB 0.737 63.937 63.200 -0.001 0.000 1.007 227 S HN 0.372 8.682 8.310 -0.000 0.000 0.483 228 R N 2.473 122.971 120.500 -0.004 0.000 2.362 228 R HA 0.211 4.551 4.340 0.001 0.000 0.227 228 R C 0.593 176.890 176.300 -0.005 0.000 0.905 228 R CA -0.320 55.776 56.100 -0.006 0.000 1.067 228 R CB 0.126 30.422 30.300 -0.007 0.000 1.078 228 R HN 0.624 8.894 8.270 -0.000 0.000 0.516 229 Q N 2.098 121.896 119.800 -0.002 0.000 2.295 229 Q HA 0.267 4.607 4.340 0.001 0.000 0.259 229 Q C -0.869 175.132 176.000 0.001 0.000 0.976 229 Q CA -0.247 55.557 55.803 0.001 0.000 0.923 229 Q CB 1.270 30.010 28.738 0.003 0.000 1.185 229 Q HN -0.061 8.209 8.270 -0.000 0.000 0.410 230 V N 2.569 122.485 119.914 0.004 0.000 2.769 230 V HA 0.363 4.484 4.120 0.001 0.000 0.312 230 V C -0.207 175.894 176.094 0.011 0.000 1.058 230 V CA -0.913 61.390 62.300 0.005 0.000 0.952 230 V CB 1.734 33.559 31.823 0.004 0.000 1.019 230 V HN 0.762 8.952 8.190 -0.000 0.000 0.445 231 E N 1.836 122.040 120.200 0.006 0.000 2.028 231 E HA 0.349 4.699 4.350 0.001 0.000 0.266 231 E C -1.038 175.567 176.600 0.008 0.000 0.962 231 E CA -0.213 56.189 56.400 0.003 0.000 0.784 231 E CB 1.703 31.395 29.700 -0.014 0.000 1.114 231 E HN 0.608 8.968 8.360 -0.000 0.000 0.414 232 V N 3.885 123.826 119.914 0.045 0.000 2.607 232 V HA 0.515 4.636 4.120 0.001 0.000 0.289 232 V C -0.326 175.796 176.094 0.047 0.000 1.053 232 V CA 0.179 62.538 62.300 0.098 0.000 0.996 232 V CB 1.455 33.384 31.823 0.177 0.000 0.995 232 V HN 0.677 8.867 8.190 -0.000 0.000 0.476 233 S N 5.800 121.514 115.700 0.023 0.000 2.651 233 S HA 0.936 5.407 4.470 0.001 0.000 0.279 233 S C -1.116 173.451 174.600 -0.055 0.000 1.148 233 S CA -0.230 57.779 58.200 -0.318 0.000 0.837 233 S CB 1.862 64.886 63.200 -0.294 0.000 1.138 233 S HN 1.654 9.964 8.310 -0.000 0.000 0.478 234 W N -0.258 120.963 121.300 -0.131 0.000 2.760 234 W HA 0.820 5.480 4.660 0.001 0.000 0.430 234 W C -1.757 174.693 176.519 -0.115 0.000 1.072 234 W CA -0.860 56.404 57.345 -0.136 0.000 1.181 234 W CB 0.005 29.334 29.460 -0.218 0.000 1.466 234 W HN 0.771 8.951 8.180 -0.000 0.000 0.597 235 E N -0.335 119.958 120.200 0.155 0.000 2.429 235 E HA 0.308 4.658 4.350 0.001 0.000 0.276 235 E C -1.768 175.021 176.600 0.315 0.000 0.953 235 E CA -1.314 55.189 56.400 0.173 0.000 0.787 235 E CB 2.273 32.070 29.700 0.162 0.000 1.307 235 E HN 0.299 8.659 8.360 -0.000 0.000 0.458 236 Y N 2.091 122.497 120.300 0.177 0.000 2.702 236 Y HA 0.035 4.585 4.550 0.001 0.000 0.336 236 Y C -1.724 174.282 175.900 0.177 0.000 1.235 236 Y CA -1.123 57.058 58.100 0.135 0.000 1.492 236 Y CB -0.083 38.217 38.460 -0.266 0.000 1.308 236 Y HN 0.231 8.511 8.280 -0.000 0.000 0.589 237 P HA -0.041 4.379 4.420 -0.000 0.000 0.272 237 P C 0.016 177.500 177.300 0.307 0.000 1.223 237 P CA -0.068 63.165 63.100 0.221 0.000 0.784 237 P CB 0.998 32.792 31.700 0.157 0.000 0.923 238 D N 0.796 121.340 120.400 0.241 0.000 2.182 238 D HA -0.112 4.528 4.640 0.001 0.000 0.201 238 D C 1.636 178.082 176.300 0.243 0.000 0.986 238 D CA 1.964 56.106 54.000 0.237 0.000 0.847 238 D CB -0.319 40.578 40.800 0.162 0.000 0.942 238 D HN 0.525 8.895 8.370 -0.000 0.000 0.467 239 T N -2.778 111.915 114.554 0.232 0.000 3.085 239 T HA -0.103 4.247 4.350 0.001 0.000 0.263 239 T C 0.970 175.833 174.700 0.272 0.000 1.127 239 T CA -0.282 61.940 62.100 0.204 0.000 1.103 239 T CB -0.149 68.818 68.868 0.165 0.000 0.921 239 T HN 0.205 8.445 8.240 -0.000 0.000 0.510 240 W N 2.503 123.909 121.300 0.176 0.000 2.089 240 W HA 0.326 4.986 4.660 0.001 0.000 0.355 240 W C -0.462 176.213 176.519 0.260 0.000 1.305 240 W CA -0.519 56.954 57.345 0.213 0.000 1.281 240 W CB 0.631 30.254 29.460 0.272 0.000 1.183 240 W HN 0.079 8.259 8.180 -0.000 0.000 0.604 241 S N 1.639 116.817 115.700 -0.871 0.000 2.580 241 S HA 0.227 4.697 4.470 0.001 0.000 0.274 241 S C 0.041 174.676 174.600 0.058 0.000 1.329 241 S CA -0.232 57.623 58.200 -0.575 0.000 1.036 241 S CB 1.202 63.661 63.200 -1.235 0.000 0.919 241 S HN 0.410 8.720 8.310 -0.000 0.000 0.515 242 T N 0.320 114.940 114.554 0.110 0.000 2.908 242 T HA 0.625 4.976 4.350 0.001 0.000 0.290 242 T C -3.096 171.772 174.700 0.281 0.000 1.034 242 T CA -2.164 60.044 62.100 0.180 0.000 1.010 242 T CB 1.317 70.162 68.868 -0.038 0.000 1.068 242 T HN 0.333 8.573 8.240 -0.000 0.000 0.481 243 P HA 0.220 4.640 4.420 -0.000 0.000 0.276 243 P C 0.524 177.991 177.300 0.278 0.000 1.243 243 P CA -0.253 62.903 63.100 0.093 0.000 0.768 243 P CB 0.602 32.303 31.700 0.003 0.000 0.856 244 H N 1.881 121.047 119.070 0.161 0.000 2.357 244 H HA -0.150 4.407 4.556 0.001 0.000 0.296 244 H C 2.040 177.459 175.328 0.152 0.000 1.108 244 H CA 2.280 58.390 56.048 0.103 0.000 1.273 244 H CB -1.211 28.239 29.762 -0.520 0.000 1.367 244 H HN 0.524 8.804 8.280 -0.000 0.000 0.498 245 S N -0.119 115.707 115.700 0.210 0.000 2.442 245 S HA -0.200 4.270 4.470 0.001 0.000 0.236 245 S C 2.162 176.874 174.600 0.185 0.000 1.007 245 S CA 1.130 59.437 58.200 0.178 0.000 0.965 245 S CB -0.592 62.677 63.200 0.116 0.000 0.773 245 S HN 0.492 8.802 8.310 -0.000 0.000 0.504 246 Y N 1.492 121.778 120.300 -0.022 0.000 2.201 246 Y HA 0.316 4.866 4.550 0.001 0.000 0.292 246 Y C 0.365 176.097 175.900 -0.281 0.000 1.119 246 Y CA 0.395 58.342 58.100 -0.255 0.000 1.127 246 Y CB 0.042 38.193 38.460 -0.515 0.000 1.019 246 Y HN 0.229 8.509 8.280 -0.000 0.000 0.514 247 F N 1.461 121.684 119.950 0.454 0.000 2.541 247 F HA 0.277 4.805 4.527 0.001 0.000 0.351 247 F C 0.465 176.733 175.800 0.779 0.000 1.209 247 F CA -0.552 57.755 58.000 0.513 0.000 1.277 247 F CB 0.001 39.228 39.000 0.379 0.000 1.632 247 F HN -0.214 8.086 8.300 -0.000 0.000 0.619 248 S N 2.768 118.834 115.700 0.610 0.000 2.564 248 S HA 0.490 4.961 4.470 0.001 0.000 0.278 248 S C -0.014 174.725 174.600 0.231 0.000 1.333 248 S CA -0.408 58.047 58.200 0.424 0.000 1.048 248 S CB 0.810 64.108 63.200 0.163 0.000 0.900 248 S HN 0.355 8.665 8.310 -0.000 0.000 0.505 249 L N 1.804 122.992 121.223 -0.058 0.000 2.333 249 L HA 0.589 4.929 4.340 0.001 0.000 0.269 249 L C 0.515 176.977 176.870 -0.680 0.000 1.010 249 L CA -0.591 53.875 54.840 -0.623 0.000 0.818 249 L CB 2.085 43.361 42.059 -1.305 0.000 1.306 249 L HN 0.605 8.835 8.230 -0.000 0.000 0.430 250 T N 0.360 114.528 114.554 -0.644 0.000 2.859 250 T HA 0.652 5.003 4.350 0.001 0.000 0.281 250 T C -0.816 173.584 174.700 -0.500 0.000 1.005 250 T CA -0.306 61.556 62.100 -0.396 0.000 1.025 250 T CB 0.476 69.246 68.868 -0.164 0.000 0.977 250 T HN 0.204 8.444 8.240 -0.000 0.000 0.458 251 F N 2.422 122.404 119.950 0.053 0.000 2.480 251 F HA 0.592 5.119 4.527 0.001 0.000 0.329 251 F C 0.605 176.354 175.800 -0.086 0.000 1.091 251 F CA -0.981 56.989 58.000 -0.050 0.000 0.972 251 F CB 1.426 40.291 39.000 -0.225 0.000 1.150 251 F HN 0.664 8.964 8.300 -0.000 0.000 0.467 252 C N 4.240 123.477 119.300 -0.104 0.000 2.303 252 C HA 0.827 5.287 4.460 0.001 0.000 0.326 252 C C -0.596 174.151 174.990 -0.405 0.000 1.285 252 C CA -0.484 58.162 59.018 -0.620 0.000 1.675 252 C CB -0.065 26.962 27.740 -1.189 0.000 2.289 252 C HN 0.619 8.849 8.230 -0.000 0.000 0.512 253 V N 7.445 127.160 119.914 -0.331 0.000 2.334 253 V HA 0.426 4.546 4.120 0.001 0.000 0.281 253 V C -0.049 175.959 176.094 -0.143 0.000 1.016 253 V CA -0.095 62.089 62.300 -0.195 0.000 0.832 253 V CB 1.041 32.796 31.823 -0.114 0.000 0.999 253 V HN 0.923 9.113 8.190 -0.000 0.000 0.439 254 Q N 3.602 123.333 119.800 -0.114 0.000 2.348 254 Q HA 0.784 5.125 4.340 0.001 0.000 0.271 254 Q C -1.847 174.020 176.000 -0.222 0.000 1.067 254 Q CA -0.569 55.125 55.803 -0.183 0.000 0.839 254 Q CB 2.608 31.193 28.738 -0.255 0.000 1.354 254 Q HN 0.518 8.788 8.270 -0.000 0.000 0.447 255 V N 3.474 123.277 119.914 -0.185 0.000 2.588 255 V HA 0.472 4.592 4.120 0.001 0.000 0.304 255 V C -0.769 175.220 176.094 -0.174 0.000 1.042 255 V CA -0.356 61.845 62.300 -0.165 0.000 0.877 255 V CB 1.599 33.361 31.823 -0.101 0.000 0.996 255 V HN 0.946 9.136 8.190 -0.000 0.000 0.425 265 D N 1.626 122.026 120.400 -0.000 0.000 3.187 265 D HA -0.107 4.533 4.640 0.001 0.000 0.244 265 D C -1.111 175.175 176.300 -0.024 0.000 1.114 265 D CA 0.591 54.587 54.000 -0.007 0.000 0.920 265 D CB -0.164 40.622 40.800 -0.023 0.000 0.970 265 D HN 0.407 8.777 8.370 -0.000 0.000 0.418 266 R N -0.160 120.340 120.500 0.000 0.000 2.875 266 R HA 0.859 5.199 4.340 0.001 0.000 0.251 266 R C -0.410 175.883 176.300 -0.012 0.000 1.123 266 R CA -1.120 54.946 56.100 -0.057 0.000 1.064 266 R CB 1.827 32.075 30.300 -0.088 0.000 1.205 266 R HN 0.019 8.289 8.270 -0.000 0.000 0.503 267 V N 1.982 121.840 119.914 -0.094 0.000 2.610 267 V HA 0.341 4.462 4.120 0.001 0.000 0.298 267 V C -1.277 174.787 176.094 -0.049 0.000 1.067 267 V CA -0.652 61.661 62.300 0.021 0.000 0.894 267 V CB 1.543 33.396 31.823 0.050 0.000 1.015 267 V HN 0.500 8.690 8.190 -0.000 0.000 0.432 268 F N 2.801 122.805 119.950 0.089 0.000 2.421 268 F HA 0.802 5.330 4.527 0.001 0.000 0.337 268 F C 0.591 176.478 175.800 0.144 0.000 1.105 268 F CA 0.010 58.081 58.000 0.119 0.000 1.049 268 F CB 2.130 41.192 39.000 0.103 0.000 1.139 268 F HN 0.487 8.787 8.300 -0.000 0.000 0.479 269 T N 0.709 115.481 114.554 0.363 0.000 2.749 269 T HA 0.267 4.618 4.350 0.001 0.000 0.310 269 T C -1.042 173.886 174.700 0.380 0.000 1.496 269 T CA -0.707 61.590 62.100 0.328 0.000 1.006 269 T CB 1.240 70.307 68.868 0.332 0.000 1.457 269 T HN 0.633 8.873 8.240 -0.000 0.000 0.497 270 D N 0.460 121.057 120.400 0.328 0.000 2.513 270 D HA 0.257 4.897 4.640 0.001 0.000 0.222 270 D C 0.294 176.852 176.300 0.431 0.000 1.210 270 D CA -0.259 53.947 54.000 0.343 0.000 0.825 270 D CB 0.317 41.223 40.800 0.177 0.000 1.037 270 D HN 0.349 8.719 8.370 -0.000 0.000 0.506 271 K N 0.013 120.643 120.400 0.384 0.000 2.148 271 K HA 0.414 4.735 4.320 0.001 0.000 0.239 271 K C 0.570 177.282 176.600 0.187 0.000 1.018 271 K CA -0.330 56.102 56.287 0.240 0.000 0.923 271 K CB 0.747 33.320 32.500 0.121 0.000 1.117 271 K HN 0.022 8.272 8.250 -0.000 0.000 0.477 272 T N -2.343 112.095 114.554 -0.193 0.000 3.258 272 T HA 0.149 4.500 4.350 0.001 0.000 0.263 272 T C 0.207 173.894 174.700 -1.688 0.000 0.983 272 T CA -0.544 60.992 62.100 -0.941 0.000 0.907 272 T CB -0.482 67.991 68.868 -0.659 0.000 1.096 272 T HN 0.550 8.790 8.240 -0.000 0.000 0.556 273 S N -0.579 114.480 115.700 -1.068 0.000 2.643 273 S HA 0.919 5.390 4.470 0.001 0.000 0.270 273 S C -1.356 173.176 174.600 -0.112 0.000 1.166 273 S CA -0.425 57.348 58.200 -0.711 0.000 0.815 273 S CB 1.534 64.513 63.200 -0.368 0.000 1.139 273 S HN 1.288 9.598 8.310 -0.000 0.000 0.472 274 A N 0.106 122.942 122.820 0.027 0.000 2.544 274 A HA 0.755 5.075 4.320 0.001 0.000 0.291 274 A C -1.080 176.551 177.584 0.079 0.000 1.055 274 A CA -0.662 51.450 52.037 0.124 0.000 0.651 274 A CB 0.899 20.050 19.000 0.251 0.000 1.296 274 A HN 1.084 9.234 8.150 -0.000 0.000 0.431 275 T N 1.085 115.680 114.554 0.068 0.000 2.809 275 T HA 0.627 4.977 4.350 0.001 0.000 0.284 275 T C -0.009 174.715 174.700 0.040 0.000 0.992 275 T CA 0.082 62.209 62.100 0.044 0.000 0.957 275 T CB 0.855 69.741 68.868 0.030 0.000 0.942 275 T HN 1.705 9.945 8.240 -0.000 0.000 0.439 276 V N 1.167 121.099 119.914 0.030 0.000 3.184 276 V HA 0.771 4.891 4.120 0.001 0.000 0.308 276 V C -0.772 175.326 176.094 0.006 0.000 1.243 276 V CA -1.210 61.100 62.300 0.016 0.000 1.058 276 V CB 1.688 33.517 31.823 0.010 0.000 1.183 276 V HN 0.792 8.982 8.190 -0.000 0.000 0.471 277 I N 0.414 120.981 120.570 -0.005 0.000 2.468 277 I HA 0.444 4.614 4.170 0.001 0.000 0.285 277 I C -0.540 175.566 176.117 -0.018 0.000 1.039 277 I CA -0.184 61.111 61.300 -0.009 0.000 1.074 277 I CB 1.604 39.600 38.000 -0.008 0.000 1.228 277 I HN 0.714 8.924 8.210 -0.000 0.000 0.436 278 c N 5.296 123.885 118.600 -0.018 0.000 2.500 278 c HA 0.939 5.509 4.570 0.001 0.000 0.367 278 c C 0.868 174.941 174.090 -0.027 0.000 1.283 278 c CA -0.105 56.209 56.329 -0.025 0.000 2.456 278 c CB 0.914 43.411 42.510 -0.022 0.000 2.457 278 c HN 0.932 9.162 8.230 -0.000 0.000 0.632 284 I N 2.049 122.543 120.570 -0.127 0.000 2.389 284 I HA 0.528 4.698 4.170 0.001 0.000 0.288 284 I C -0.598 175.431 176.117 -0.148 0.000 0.999 284 I CA 0.005 61.230 61.300 -0.125 0.000 1.129 284 I CB 1.601 39.565 38.000 -0.059 0.000 1.288 284 I HN 0.543 8.753 8.210 -0.000 0.000 0.444 285 S N 5.295 120.865 115.700 -0.217 0.000 2.634 285 S HA 0.838 5.308 4.470 0.001 0.000 0.296 285 S C -0.706 173.906 174.600 0.021 0.000 1.104 285 S CA -0.844 57.263 58.200 -0.155 0.000 0.920 285 S CB 2.648 65.594 63.200 -0.423 0.000 1.111 285 S HN 0.261 8.571 8.310 -0.000 0.000 0.493 286 V N 1.556 121.553 119.914 0.138 0.000 2.733 286 V HA 0.659 4.780 4.120 0.001 0.000 0.306 286 V C -0.531 175.504 176.094 -0.098 0.000 1.084 286 V CA -0.939 61.303 62.300 -0.097 0.000 0.905 286 V CB 1.804 33.273 31.823 -0.591 0.000 1.010 286 V HN 1.048 9.238 8.190 -0.000 0.000 0.424 287 R N 3.042 123.351 120.500 -0.319 0.000 2.867 287 R HA 0.994 5.334 4.340 0.001 0.000 0.268 287 R C -0.745 175.502 176.300 -0.087 0.000 1.014 287 R CA -0.812 55.071 56.100 -0.361 0.000 0.946 287 R CB 2.371 32.144 30.300 -0.878 0.000 1.208 287 R HN 0.788 9.058 8.270 -0.000 0.000 0.477 288 A N 0.626 123.428 122.820 -0.030 0.000 2.386 288 A HA 0.584 4.905 4.320 0.001 0.000 0.308 288 A C -1.234 176.167 177.584 -0.305 0.000 1.128 288 A CA -0.743 51.173 52.037 -0.202 0.000 0.789 288 A CB 2.151 20.882 19.000 -0.449 0.000 1.325 288 A HN 0.707 8.857 8.150 -0.000 0.000 0.437 289 Q N 0.317 119.732 119.800 -0.642 0.000 2.340 289 Q HA 0.345 4.686 4.340 0.001 0.000 0.276 289 Q C -1.545 174.084 176.000 -0.618 0.000 1.048 289 Q CA -0.610 54.715 55.803 -0.797 0.000 0.832 289 Q CB 2.049 29.951 28.738 -1.394 0.000 1.373 289 Q HN 0.892 9.162 8.270 -0.000 0.000 0.409 290 D N 0.748 120.909 120.400 -0.397 0.000 2.449 290 D HA -0.050 4.590 4.640 0.001 0.000 0.236 290 D C 0.935 177.084 176.300 -0.251 0.000 1.149 290 D CA 0.276 54.200 54.000 -0.126 0.000 0.878 290 D CB 0.944 41.847 40.800 0.172 0.000 1.198 290 D HN 0.473 8.843 8.370 -0.000 0.000 0.446 291 R N 1.663 121.996 120.500 -0.278 0.000 2.236 291 R HA -0.028 4.313 4.340 0.001 0.000 0.208 291 R C 0.458 176.297 176.300 -0.768 0.000 1.036 291 R CA 1.526 57.249 56.100 -0.628 0.000 1.001 291 R CB -0.003 29.760 30.300 -0.894 0.000 0.896 291 R HN 0.689 8.959 8.270 -0.000 0.000 0.464 292 Y N -3.381 116.828 120.300 -0.150 0.000 2.585 292 Y HA 0.281 4.831 4.550 0.001 0.000 0.272 292 Y C 0.468 176.075 175.900 -0.488 0.000 1.119 292 Y CA -0.354 57.518 58.100 -0.380 0.000 1.255 292 Y CB 0.338 38.419 38.460 -0.631 0.000 1.284 292 Y HN -0.128 8.152 8.280 -0.000 0.000 0.499 293 Y N -0.622 119.775 120.300 0.162 0.000 2.797 293 Y HA 0.281 4.831 4.550 0.001 0.000 0.120 293 Y C 1.155 177.057 175.900 0.003 0.000 0.876 293 Y CA -0.713 57.441 58.100 0.089 0.000 1.835 293 Y CB -0.774 37.767 38.460 0.134 0.000 1.190 293 Y HN -0.301 7.979 8.280 -0.000 0.000 0.295 294 S N 0.782 116.611 115.700 0.214 0.000 2.593 294 S HA -0.058 4.412 4.470 0.001 0.000 0.300 294 S C 0.874 175.418 174.600 -0.094 0.000 1.267 294 S CA 0.378 58.601 58.200 0.037 0.000 1.065 294 S CB 0.181 63.384 63.200 0.006 0.000 0.807 294 S HN 0.461 8.771 8.310 -0.000 0.000 0.499 295 S N 3.207 118.827 115.700 -0.133 0.000 2.535 295 S HA 0.122 4.592 4.470 0.001 0.000 0.214 295 S C 0.445 174.812 174.600 -0.389 0.000 0.980 295 S CA -0.257 57.774 58.200 -0.281 0.000 0.907 295 S CB 0.152 63.253 63.200 -0.165 0.000 0.790 295 S HN 0.751 9.061 8.310 -0.000 0.000 0.510 296 S N 2.685 118.253 115.700 -0.220 0.000 2.629 296 S HA 0.000 4.470 4.470 0.001 0.000 0.302 296 S C -0.251 174.195 174.600 -0.258 0.000 1.244 296 S CA 0.025 58.135 58.200 -0.150 0.000 1.098 296 S CB -0.130 63.027 63.200 -0.071 0.000 0.858 296 S HN 0.385 8.695 8.310 -0.000 0.000 0.502 297 W N 2.257 123.462 121.300 -0.157 0.000 2.215 297 W HA 0.360 5.021 4.660 0.001 0.000 0.342 297 W C 1.081 177.444 176.519 -0.260 0.000 1.237 297 W CA -0.608 56.585 57.345 -0.253 0.000 1.283 297 W CB 0.443 29.696 29.460 -0.344 0.000 1.131 297 W HN 0.641 8.821 8.180 -0.000 0.000 0.606 298 S N 1.146 116.842 115.700 -0.007 0.000 2.632 298 S HA 0.254 4.725 4.470 0.001 0.000 0.271 298 S C -0.064 174.441 174.600 -0.159 0.000 1.260 298 S CA -1.005 57.141 58.200 -0.090 0.000 1.010 298 S CB 0.892 64.024 63.200 -0.113 0.000 0.965 298 S HN 0.416 8.726 8.310 -0.000 0.000 0.534 299 E N 0.824 120.959 120.200 -0.108 0.000 2.442 299 E HA 0.006 4.356 4.350 0.001 0.000 0.262 299 E C -0.490 176.061 176.600 -0.082 0.000 1.004 299 E CA 0.275 56.621 56.400 -0.090 0.000 0.928 299 E CB 0.211 29.900 29.700 -0.018 0.000 0.937 299 E HN 0.720 9.080 8.360 -0.000 0.000 0.446 300 W N 0.642 121.896 121.300 -0.076 0.000 2.187 300 W HA 0.204 4.864 4.660 0.001 0.000 0.348 300 W C 0.531 176.992 176.519 -0.098 0.000 1.282 300 W CA -0.108 57.169 57.345 -0.112 0.000 1.271 300 W CB 0.560 29.945 29.460 -0.125 0.000 1.170 300 W HN 0.426 8.606 8.180 -0.000 0.000 0.583 301 A N 2.283 125.231 122.820 0.213 0.000 2.343 301 A HA 0.757 5.077 4.320 0.001 0.000 0.308 301 A C -0.755 176.859 177.584 0.050 0.000 1.092 301 A CA -0.561 51.524 52.037 0.081 0.000 0.751 301 A CB 1.074 20.087 19.000 0.021 0.000 1.203 301 A HN 0.429 8.579 8.150 -0.000 0.000 0.452 302 S N -0.016 115.689 115.700 0.008 0.000 2.715 302 S HA 0.867 5.337 4.470 0.001 0.000 0.307 302 S C -0.742 173.841 174.600 -0.029 0.000 1.119 302 S CA -0.631 57.544 58.200 -0.041 0.000 0.937 302 S CB 1.904 65.047 63.200 -0.095 0.000 1.150 302 S HN 0.872 9.182 8.310 -0.000 0.000 0.521 303 V N 2.513 122.401 119.914 -0.045 0.000 3.048 303 V HA 0.466 4.586 4.120 0.001 0.000 0.303 303 V C -2.573 173.495 176.094 -0.044 0.000 1.214 303 V CA -1.833 60.450 62.300 -0.029 0.000 0.984 303 V CB 2.515 34.335 31.823 -0.006 0.000 1.054 303 V HN 0.755 8.945 8.190 -0.000 0.000 0.430 304 P HA 0.143 4.563 4.420 -0.000 0.000 0.276 304 P C 0.781 178.060 177.300 -0.035 0.000 1.243 304 P CA 0.092 63.169 63.100 -0.040 0.000 0.768 304 P CB 1.203 32.884 31.700 -0.031 0.000 0.856 305 c N 2.768 121.342 118.600 -0.043 0.000 2.413 305 c HA -0.086 4.484 4.570 0.001 0.000 0.276 305 c C 1.833 175.907 174.090 -0.026 0.000 1.248 305 c CA 1.268 57.575 56.329 -0.036 0.000 1.742 305 c CB -0.900 41.584 42.510 -0.043 0.000 2.017 305 c HN 0.620 8.850 8.230 -0.000 0.000 0.481 306 S N 0.000 115.684 115.700 -0.026 0.000 2.498 306 S HA 0.000 4.470 4.470 0.001 0.000 0.327 306 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 306 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 306 S HN 0.000 8.310 8.310 -0.000 0.000 0.517