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 3evc_1_A DATA FIRST_RESID 6 DATA SEQUENCE KTLGEVWKRE LNLLDKRQFE LYKRTDIVEV DRDTARRHLA EGKVDTGVAV DATA SEQUENCE SRGTAKLRWF HERGYVKLEG RVIDLGCGRG GWCYYAAAQK EVSGVKGFTL DATA SEQUENCE GRDGHEKPMN VQSLGWNIIT FKDKTDIHRL EPVKCDTLLC DIGESSSSSV DATA SEQUENCE TEGERTVRVL DTVEKWLACG VDNFCVKVLA PYMPDVLEKL ELLQRRFGGT DATA SEQUENCE VIRNPLSRNS THEMYYVSGA RSNVTFTVNQ TSRLLMRRMR RPTGKVTLEA DATA SEQUENCE DVILPIGTRS V 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 6 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 6 K C 0.000 176.640 176.600 0.067 0.000 0.988 6 K CA 0.000 56.321 56.287 0.057 0.000 0.838 6 K CB 0.000 32.525 32.500 0.042 0.000 1.064 7 T N -1.212 113.396 114.554 0.089 0.000 2.828 7 T HA 0.235 4.586 4.350 0.001 0.000 0.290 7 T C 1.561 176.321 174.700 0.101 0.000 1.019 7 T CA -0.702 61.455 62.100 0.094 0.000 1.031 7 T CB 0.823 69.761 68.868 0.118 0.000 1.001 7 T HN 0.095 8.335 8.240 -0.000 0.000 0.531 8 L N 1.307 122.585 121.223 0.091 0.000 2.079 8 L HA 0.010 4.351 4.340 0.001 0.000 0.210 8 L C 3.018 179.965 176.870 0.129 0.000 1.081 8 L CA 1.696 56.593 54.840 0.095 0.000 0.752 8 L CB -1.167 40.937 42.059 0.075 0.000 0.896 8 L HN 1.013 9.243 8.230 -0.000 0.000 0.433 9 G N -0.507 108.369 108.800 0.128 0.000 2.422 9 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 9 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 9 G C 1.425 176.276 174.900 -0.083 0.000 1.146 9 G CA 0.479 45.597 45.100 0.029 0.000 0.769 9 G HN 0.426 8.716 8.290 -0.000 0.000 0.547 10 E N -0.092 120.177 120.200 0.114 0.000 2.150 10 E HA -0.056 4.295 4.350 0.001 0.000 0.193 10 E C 2.686 179.326 176.600 0.068 0.000 0.985 10 E CA 0.675 57.157 56.400 0.138 0.000 0.814 10 E CB -0.042 29.773 29.700 0.191 0.000 0.752 10 E HN 0.317 8.677 8.360 -0.000 0.000 0.466 11 V N 0.621 120.584 119.914 0.082 0.000 2.358 11 V HA -0.224 3.896 4.120 0.001 0.000 0.246 11 V C 1.940 178.061 176.094 0.046 0.000 1.047 11 V CA 1.826 64.158 62.300 0.053 0.000 1.035 11 V CB -0.554 31.307 31.823 0.063 0.000 0.658 11 V HN 0.483 8.673 8.190 -0.000 0.000 0.452 12 W N 1.772 123.016 121.300 -0.093 0.000 2.335 12 W HA -0.290 4.371 4.660 0.002 0.000 0.311 12 W C 2.467 178.920 176.519 -0.111 0.000 1.213 12 W CA 2.352 59.638 57.345 -0.099 0.000 1.274 12 W CB -0.237 29.172 29.460 -0.085 0.000 1.148 12 W HN 0.073 8.253 8.180 -0.000 0.000 0.498 13 K N 0.947 121.156 120.400 -0.319 0.000 2.057 13 K HA -0.217 4.104 4.320 0.001 0.000 0.207 13 K C 2.330 178.687 176.600 -0.405 0.000 1.049 13 K CA 2.135 58.061 56.287 -0.602 0.000 0.931 13 K CB -0.726 31.657 32.500 -0.195 0.000 0.714 13 K HN 0.256 8.506 8.250 -0.000 0.000 0.440 14 R N 0.553 120.922 120.500 -0.219 0.000 2.081 14 R HA -0.109 4.231 4.340 0.001 0.000 0.235 14 R C 1.817 177.999 176.300 -0.197 0.000 1.131 14 R CA 1.929 57.934 56.100 -0.158 0.000 0.960 14 R CB -0.131 30.121 30.300 -0.081 0.000 0.856 14 R HN 0.338 8.608 8.270 -0.000 0.000 0.436 15 E N 0.456 120.521 120.200 -0.225 0.000 2.152 15 E HA -0.190 4.161 4.350 0.001 0.000 0.192 15 E C 2.021 178.439 176.600 -0.303 0.000 0.983 15 E CA 0.828 57.095 56.400 -0.221 0.000 0.818 15 E CB -0.141 29.451 29.700 -0.180 0.000 0.758 15 E HN 0.235 8.595 8.360 -0.000 0.000 0.467 16 L N 2.140 123.078 121.223 -0.475 0.000 2.012 16 L HA -0.179 4.162 4.340 0.001 0.000 0.210 16 L C 1.575 178.286 176.870 -0.266 0.000 1.073 16 L CA 1.736 56.299 54.840 -0.462 0.000 0.748 16 L CB -0.448 41.164 42.059 -0.745 0.000 0.891 16 L HN -0.013 8.217 8.230 -0.000 0.000 0.431 17 N N -0.437 118.103 118.700 -0.268 0.000 2.453 17 N HA -0.097 4.644 4.740 0.001 0.000 0.183 17 N C 1.670 177.081 175.510 -0.166 0.000 1.041 17 N CA 1.103 54.028 53.050 -0.209 0.000 0.900 17 N CB -0.188 38.193 38.487 -0.177 0.000 0.961 17 N HN 0.442 8.822 8.380 -0.000 0.000 0.443 18 L N 0.235 121.366 121.223 -0.152 0.000 2.529 18 L HA 0.173 4.514 4.340 0.001 0.000 0.223 18 L C 0.550 177.364 176.870 -0.093 0.000 1.113 18 L CA -0.047 54.725 54.840 -0.113 0.000 0.861 18 L CB 0.008 42.005 42.059 -0.103 0.000 1.012 18 L HN -0.007 8.223 8.230 -0.000 0.000 0.461 19 L N 0.981 122.149 121.223 -0.092 0.000 2.461 19 L HA 0.002 4.343 4.340 0.001 0.000 0.272 19 L C 0.280 177.144 176.870 -0.010 0.000 1.197 19 L CA -0.420 54.397 54.840 -0.040 0.000 0.836 19 L CB 0.182 42.248 42.059 0.012 0.000 1.105 19 L HN 0.176 8.406 8.230 -0.000 0.000 0.477 20 D N 1.286 121.692 120.400 0.011 0.000 2.398 20 D HA 0.101 4.741 4.640 0.001 0.000 0.247 20 D C 0.677 177.020 176.300 0.071 0.000 1.227 20 D CA -0.504 53.507 54.000 0.018 0.000 0.980 20 D CB 0.730 41.537 40.800 0.012 0.000 1.106 20 D HN 0.338 8.708 8.370 -0.000 0.000 0.493 21 K N -0.512 119.923 120.400 0.058 0.000 2.020 21 K HA -0.238 4.083 4.320 0.001 0.000 0.212 21 K C 2.114 178.798 176.600 0.139 0.000 1.050 21 K CA 1.550 57.899 56.287 0.103 0.000 0.929 21 K CB -0.195 32.340 32.500 0.059 0.000 0.714 21 K HN 0.402 8.652 8.250 -0.000 0.000 0.443 22 R N 0.975 121.527 120.500 0.086 0.000 2.073 22 R HA -0.157 4.184 4.340 0.001 0.000 0.234 22 R C 2.269 178.618 176.300 0.082 0.000 1.134 22 R CA 1.432 57.575 56.100 0.071 0.000 0.952 22 R CB 0.020 30.346 30.300 0.043 0.000 0.850 22 R HN 0.199 8.469 8.270 -0.000 0.000 0.433 23 Q N -0.174 119.679 119.800 0.088 0.000 2.124 23 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 23 Q C 1.890 177.981 176.000 0.151 0.000 0.977 23 Q CA 1.392 57.250 55.803 0.091 0.000 0.850 23 Q CB -0.401 28.370 28.738 0.055 0.000 0.901 23 Q HN 0.354 8.624 8.270 -0.000 0.000 0.429 24 F N 2.238 122.219 119.950 0.051 0.000 2.134 24 F HA -0.162 4.366 4.527 0.001 0.000 0.299 24 F C 2.067 177.936 175.800 0.114 0.000 1.097 24 F CA 1.296 59.352 58.000 0.095 0.000 1.264 24 F CB 0.063 39.088 39.000 0.042 0.000 1.001 24 F HN -0.020 8.280 8.300 -0.000 0.000 0.479 25 E N 0.748 120.945 120.200 -0.005 0.000 2.051 25 E HA -0.192 4.159 4.350 0.001 0.000 0.192 25 E C 2.463 178.986 176.600 -0.128 0.000 0.991 25 E CA 1.583 57.919 56.400 -0.107 0.000 0.799 25 E CB -0.742 28.973 29.700 0.025 0.000 0.748 25 E HN 0.463 8.823 8.360 -0.000 0.000 0.449 26 L N -0.197 121.003 121.223 -0.038 0.000 2.056 26 L HA -0.195 4.146 4.340 0.001 0.000 0.207 26 L C 2.597 179.447 176.870 -0.033 0.000 1.078 26 L CA 1.216 56.041 54.840 -0.025 0.000 0.749 26 L CB -0.623 41.447 42.059 0.019 0.000 0.901 26 L HN 0.135 8.365 8.230 -0.000 0.000 0.433 27 Y N 2.052 122.275 120.300 -0.129 0.000 2.097 27 Y HA -0.343 4.207 4.550 0.001 0.000 0.282 27 Y C 2.666 178.468 175.900 -0.163 0.000 1.152 27 Y CA 2.122 60.152 58.100 -0.117 0.000 1.136 27 Y CB -0.395 38.015 38.460 -0.083 0.000 0.975 27 Y HN 0.179 8.459 8.280 -0.000 0.000 0.498 28 K N -0.016 120.100 120.400 -0.474 0.000 2.218 28 K HA -0.186 4.135 4.320 0.001 0.000 0.205 28 K C 1.630 178.002 176.600 -0.379 0.000 1.046 28 K CA 2.056 58.026 56.287 -0.529 0.000 0.933 28 K CB -0.355 31.815 32.500 -0.551 0.000 0.728 28 K HN 0.348 8.598 8.250 -0.000 0.000 0.454 29 R N 0.580 120.908 120.500 -0.285 0.000 2.437 29 R HA 0.120 4.461 4.340 0.001 0.000 0.257 29 R C -0.196 176.000 176.300 -0.173 0.000 0.927 29 R CA -0.099 55.882 56.100 -0.198 0.000 1.078 29 R CB 0.720 30.937 30.300 -0.138 0.000 1.161 29 R HN 0.040 8.310 8.270 -0.000 0.000 0.529 30 T N 2.769 117.207 114.554 -0.193 0.000 2.792 30 T HA -0.040 4.310 4.350 0.001 0.000 0.286 30 T C 0.029 174.656 174.700 -0.121 0.000 0.970 30 T CA 0.579 62.605 62.100 -0.124 0.000 1.187 30 T CB 0.181 69.006 68.868 -0.071 0.000 0.915 30 T HN 0.280 8.520 8.240 -0.000 0.000 0.529 31 D N 0.270 120.620 120.400 -0.084 0.000 2.983 31 D HA -0.171 4.470 4.640 0.001 0.000 0.225 31 D C 0.436 176.677 176.300 -0.098 0.000 1.174 31 D CA 0.969 54.923 54.000 -0.076 0.000 0.831 31 D CB -1.534 39.231 40.800 -0.059 0.000 1.104 31 D HN 0.793 9.163 8.370 -0.000 0.000 0.421 32 I N -3.548 116.951 120.570 -0.118 0.000 2.918 32 I HA 0.534 4.705 4.170 0.001 0.000 0.316 32 I C 0.462 176.510 176.117 -0.115 0.000 1.001 32 I CA -1.014 60.205 61.300 -0.134 0.000 1.142 32 I CB 1.273 39.180 38.000 -0.156 0.000 1.356 32 I HN -0.275 7.935 8.210 -0.000 0.000 0.524 33 V N 2.053 121.888 119.914 -0.132 0.000 2.532 33 V HA 0.462 4.583 4.120 0.001 0.000 0.295 33 V C -0.181 175.849 176.094 -0.107 0.000 1.041 33 V CA -0.385 61.848 62.300 -0.112 0.000 0.926 33 V CB 1.233 32.977 31.823 -0.131 0.000 0.992 33 V HN 0.864 9.054 8.190 -0.000 0.000 0.457 34 E N 2.116 122.269 120.200 -0.079 0.000 2.308 34 E HA 0.552 4.902 4.350 0.001 0.000 0.275 34 E C -1.242 175.329 176.600 -0.049 0.000 0.890 34 E CA -0.702 55.658 56.400 -0.067 0.000 0.754 34 E CB 2.403 32.066 29.700 -0.061 0.000 1.207 34 E HN 0.609 8.969 8.360 -0.000 0.000 0.426 35 V N 1.121 121.011 119.914 -0.041 0.000 2.649 35 V HA 0.339 4.460 4.120 0.001 0.000 0.292 35 V C 0.227 176.305 176.094 -0.026 0.000 1.055 35 V CA -0.700 61.583 62.300 -0.028 0.000 1.023 35 V CB 1.426 33.237 31.823 -0.019 0.000 0.992 35 V HN 0.711 8.901 8.190 -0.000 0.000 0.480 36 D N 3.620 124.005 120.400 -0.025 0.000 2.338 36 D HA 0.175 4.816 4.640 0.001 0.000 0.255 36 D C 0.839 177.120 176.300 -0.032 0.000 1.237 36 D CA -0.180 53.803 54.000 -0.028 0.000 0.883 36 D CB 0.864 41.648 40.800 -0.027 0.000 1.087 36 D HN 0.542 8.912 8.370 -0.000 0.000 0.485 37 R N 2.937 123.419 120.500 -0.030 0.000 2.334 37 R HA -0.009 4.331 4.340 0.001 0.000 0.216 37 R C 1.328 177.602 176.300 -0.045 0.000 0.905 37 R CA -0.181 55.899 56.100 -0.033 0.000 1.064 37 R CB 0.053 30.341 30.300 -0.020 0.000 1.046 37 R HN 0.623 8.893 8.270 -0.000 0.000 0.508 38 D N 0.849 121.222 120.400 -0.044 0.000 2.127 38 D HA -0.177 4.464 4.640 0.001 0.000 0.190 38 D C 0.756 177.013 176.300 -0.073 0.000 1.000 38 D CA 1.896 55.869 54.000 -0.045 0.000 0.839 38 D CB 0.409 41.187 40.800 -0.036 0.000 0.955 38 D HN 0.048 8.418 8.370 -0.000 0.000 0.446 39 T N 0.653 115.139 114.554 -0.114 0.000 2.708 39 T HA -0.075 4.275 4.350 0.001 0.000 0.266 39 T C 2.021 176.519 174.700 -0.337 0.000 1.037 39 T CA 1.704 63.669 62.100 -0.225 0.000 1.146 39 T CB -0.450 68.261 68.868 -0.262 0.000 0.865 39 T HN 0.332 8.572 8.240 -0.000 0.000 0.435 40 A N 2.038 124.720 122.820 -0.230 0.000 1.883 40 A HA -0.177 4.144 4.320 0.001 0.000 0.217 40 A C 2.370 179.910 177.584 -0.072 0.000 1.186 40 A CA 1.612 53.551 52.037 -0.163 0.000 0.624 40 A CB -0.542 18.410 19.000 -0.080 0.000 0.822 40 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 41 R N -0.820 119.650 120.500 -0.049 0.000 2.096 41 R HA -0.089 4.251 4.340 0.001 0.000 0.235 41 R C 2.433 178.739 176.300 0.009 0.000 1.127 41 R CA 1.450 57.541 56.100 -0.013 0.000 0.968 41 R CB -0.294 29.998 30.300 -0.013 0.000 0.861 41 R HN 0.516 8.786 8.270 -0.000 0.000 0.440 42 R N -0.435 120.070 120.500 0.008 0.000 2.075 42 R HA -0.073 4.268 4.340 0.001 0.000 0.232 42 R C 2.090 178.474 176.300 0.140 0.000 1.126 42 R CA 1.324 57.459 56.100 0.059 0.000 0.963 42 R CB -0.345 29.994 30.300 0.064 0.000 0.858 42 R HN 0.502 8.772 8.270 -0.000 0.000 0.435 43 H N 0.388 119.448 119.070 -0.017 0.000 2.321 43 H HA -0.091 4.466 4.556 0.001 0.000 0.300 43 H C 2.243 177.553 175.328 -0.030 0.000 1.087 43 H CA 1.163 57.197 56.048 -0.023 0.000 1.319 43 H CB 0.025 29.772 29.762 -0.025 0.000 1.379 43 H HN 0.111 8.391 8.280 -0.000 0.000 0.501 44 L N 0.241 121.528 121.223 0.107 0.000 2.083 44 L HA -0.135 4.206 4.340 0.001 0.000 0.209 44 L C 2.882 179.762 176.870 0.018 0.000 1.083 44 L CA 0.739 55.600 54.840 0.035 0.000 0.752 44 L CB -0.366 41.701 42.059 0.014 0.000 0.899 44 L HN 0.284 8.514 8.230 -0.000 0.000 0.433 45 A N 0.543 123.377 122.820 0.025 0.000 2.015 45 A HA -0.176 4.145 4.320 0.001 0.000 0.219 45 A C 1.983 179.571 177.584 0.006 0.000 1.163 45 A CA 1.503 53.547 52.037 0.012 0.000 0.646 45 A CB -0.420 18.589 19.000 0.015 0.000 0.806 45 A HN 0.648 8.798 8.150 -0.000 0.000 0.448 46 E N -1.640 118.566 120.200 0.009 0.000 2.463 46 E HA 0.365 4.716 4.350 0.001 0.000 0.193 46 E C 0.918 177.502 176.600 -0.026 0.000 1.041 46 E CA 0.365 56.760 56.400 -0.009 0.000 0.879 46 E CB -0.275 29.418 29.700 -0.011 0.000 0.997 46 E HN 0.703 9.063 8.360 -0.000 0.000 0.478 47 G N 1.842 110.628 108.800 -0.024 0.000 2.143 47 G HA2 -0.305 3.656 3.960 0.001 0.000 0.249 47 G HA3 -0.305 3.656 3.960 0.001 0.000 0.249 47 G C -0.038 174.828 174.900 -0.057 0.000 0.981 47 G CA 0.138 45.215 45.100 -0.039 0.000 0.665 47 G HN 0.223 8.513 8.290 -0.000 0.000 0.528 48 K N 0.126 120.488 120.400 -0.063 0.000 2.368 48 K HA 0.437 4.758 4.320 0.001 0.000 0.282 48 K C 1.381 177.935 176.600 -0.076 0.000 1.035 48 K CA 0.385 56.615 56.287 -0.094 0.000 0.973 48 K CB 1.606 34.004 32.500 -0.170 0.000 0.957 48 K HN 0.645 8.895 8.250 -0.000 0.000 0.474 49 V N -1.304 118.553 119.914 -0.096 0.000 3.398 49 V HA 0.083 4.204 4.120 0.001 0.000 0.298 49 V C 0.171 176.199 176.094 -0.110 0.000 1.496 49 V CA 0.012 62.242 62.300 -0.116 0.000 1.044 49 V CB 0.248 31.978 31.823 -0.156 0.000 0.880 49 V HN 0.775 8.965 8.190 -0.000 0.000 0.443 50 D N 0.443 120.794 120.400 -0.082 0.000 2.593 50 D HA 0.107 4.747 4.640 0.001 0.000 0.241 50 D C 1.187 177.475 176.300 -0.020 0.000 1.257 50 D CA 0.735 54.704 54.000 -0.052 0.000 0.828 50 D CB 0.131 40.899 40.800 -0.052 0.000 1.049 50 D HN 0.538 8.908 8.370 -0.000 0.000 0.490 51 T N -4.883 109.673 114.554 0.003 0.000 3.023 51 T HA 0.397 4.748 4.350 0.001 0.000 0.253 51 T C 1.706 176.452 174.700 0.077 0.000 1.038 51 T CA 0.307 62.444 62.100 0.061 0.000 0.962 51 T CB 0.269 69.233 68.868 0.161 0.000 1.018 51 T HN 0.317 8.557 8.240 -0.000 0.000 0.521 52 G N 1.679 110.506 108.800 0.045 0.000 2.159 52 G HA2 -0.260 3.701 3.960 0.001 0.000 0.256 52 G HA3 -0.260 3.701 3.960 0.001 0.000 0.256 52 G C 0.238 175.162 174.900 0.040 0.000 0.977 52 G CA 0.180 45.305 45.100 0.042 0.000 0.652 52 G HN 1.466 9.756 8.290 -0.000 0.000 0.531 53 V N -1.182 118.757 119.914 0.040 0.000 2.963 53 V HA 0.761 4.881 4.120 0.001 0.000 0.306 53 V C 0.942 177.037 176.094 0.002 0.000 1.077 53 V CA -0.265 62.045 62.300 0.017 0.000 1.124 53 V CB 1.111 32.933 31.823 -0.002 0.000 0.987 53 V HN 1.815 10.005 8.190 -0.000 0.000 0.487 54 A N 3.092 125.925 122.820 0.021 0.000 2.388 54 A HA 0.536 4.857 4.320 0.001 0.000 0.257 54 A C 1.057 178.658 177.584 0.028 0.000 1.095 54 A CA -0.017 52.050 52.037 0.050 0.000 0.791 54 A CB 1.009 20.061 19.000 0.085 0.000 1.029 54 A HN 2.130 10.280 8.150 -0.000 0.000 0.489 55 V N 0.493 120.433 119.914 0.042 0.000 3.217 55 V HA 0.234 4.354 4.120 0.001 0.000 0.264 55 V C 0.680 176.811 176.094 0.063 0.000 1.135 55 V CA 1.342 63.664 62.300 0.037 0.000 1.142 55 V CB -1.861 29.998 31.823 0.061 0.000 0.754 55 V HN 1.419 9.609 8.190 -0.000 0.000 0.484 56 S N -1.177 114.576 115.700 0.089 0.000 2.636 56 S HA 0.476 4.947 4.470 0.001 0.000 0.268 56 S C 0.143 174.795 174.600 0.087 0.000 1.159 56 S CA -0.697 57.549 58.200 0.078 0.000 0.815 56 S CB 1.389 64.640 63.200 0.085 0.000 1.130 56 S HN 0.129 8.439 8.310 -0.000 0.000 0.471 57 R N 0.013 120.555 120.500 0.070 0.000 2.280 57 R HA 0.090 4.431 4.340 0.001 0.000 0.207 57 R C 2.140 178.508 176.300 0.113 0.000 1.043 57 R CA 1.065 57.204 56.100 0.066 0.000 1.006 57 R CB -0.760 29.565 30.300 0.042 0.000 0.885 57 R HN 0.814 9.084 8.270 -0.000 0.000 0.467 58 G N 0.094 108.996 108.800 0.170 0.000 2.432 58 G HA2 -0.235 3.726 3.960 0.001 0.000 0.219 58 G HA3 -0.235 3.726 3.960 0.001 0.000 0.219 58 G C 1.293 176.443 174.900 0.416 0.000 1.135 58 G CA 0.958 46.259 45.100 0.335 0.000 0.767 58 G HN 0.209 8.499 8.290 -0.000 0.000 0.550 59 T N 1.688 116.408 114.554 0.277 0.000 2.684 59 T HA -0.068 4.283 4.350 0.001 0.000 0.267 59 T C 2.807 177.463 174.700 -0.073 0.000 1.036 59 T CA 1.612 63.807 62.100 0.158 0.000 1.148 59 T CB -0.366 68.620 68.868 0.196 0.000 0.863 59 T HN 0.378 8.618 8.240 -0.000 0.000 0.436 60 A N 1.600 124.411 122.820 -0.015 0.000 1.933 60 A HA -0.101 4.220 4.320 0.001 0.000 0.218 60 A C 2.286 179.806 177.584 -0.107 0.000 1.175 60 A CA 1.284 53.281 52.037 -0.067 0.000 0.628 60 A CB -0.339 18.648 19.000 -0.022 0.000 0.814 60 A HN 0.397 8.547 8.150 -0.000 0.000 0.444 61 K N -0.925 119.441 120.400 -0.058 0.000 2.025 61 K HA -0.102 4.219 4.320 0.001 0.000 0.207 61 K C 1.918 178.372 176.600 -0.243 0.000 1.049 61 K CA 1.353 57.567 56.287 -0.121 0.000 0.933 61 K CB -0.444 32.092 32.500 0.061 0.000 0.714 61 K HN 0.408 8.658 8.250 -0.000 0.000 0.438 62 L N 1.793 122.813 121.223 -0.339 0.000 2.093 62 L HA -0.111 4.229 4.340 0.001 0.000 0.208 62 L C 2.472 179.043 176.870 -0.499 0.000 1.085 62 L CA 1.473 55.959 54.840 -0.590 0.000 0.755 62 L CB -0.444 40.960 42.059 -1.091 0.000 0.904 62 L HN 0.056 8.286 8.230 -0.000 0.000 0.435 63 R N -1.583 118.476 120.500 -0.735 0.000 2.091 63 R HA -0.277 4.064 4.340 0.001 0.000 0.238 63 R C 2.263 178.466 176.300 -0.163 0.000 1.136 63 R CA 2.108 57.835 56.100 -0.622 0.000 0.959 63 R CB -0.781 29.233 30.300 -0.478 0.000 0.856 63 R HN 0.562 8.832 8.270 -0.000 0.000 0.437 64 W N 0.474 121.586 121.300 -0.314 0.000 2.335 64 W HA -0.188 4.473 4.660 0.002 0.000 0.311 64 W C 1.584 178.001 176.519 -0.170 0.000 1.213 64 W CA 1.816 58.997 57.345 -0.274 0.000 1.274 64 W CB -0.500 28.710 29.460 -0.415 0.000 1.148 64 W HN 0.055 8.235 8.180 -0.000 0.000 0.498 65 F N -1.390 118.611 119.950 0.085 0.000 2.146 65 F HA -0.209 4.319 4.527 0.002 0.000 0.298 65 F C 2.581 178.345 175.800 -0.060 0.000 1.096 65 F CA 1.700 59.725 58.000 0.043 0.000 1.275 65 F CB -1.059 37.959 39.000 0.029 0.000 1.008 65 F HN -0.070 8.230 8.300 -0.000 0.000 0.480 66 H N 0.928 120.021 119.070 0.038 0.000 2.321 66 H HA -0.179 4.377 4.556 0.001 0.000 0.300 66 H C 2.075 177.362 175.328 -0.068 0.000 1.087 66 H CA 2.108 58.162 56.048 0.009 0.000 1.319 66 H CB -0.378 29.468 29.762 0.140 0.000 1.379 66 H HN 0.424 8.704 8.280 -0.000 0.000 0.501 67 E N 0.649 120.736 120.200 -0.188 0.000 2.333 67 E HA -0.171 4.180 4.350 0.001 0.000 0.198 67 E C 1.274 177.661 176.600 -0.357 0.000 1.007 67 E CA 1.088 57.314 56.400 -0.289 0.000 0.845 67 E CB -0.111 29.476 29.700 -0.188 0.000 0.766 67 E HN 0.670 9.030 8.360 -0.000 0.000 0.507 68 R N -0.155 120.083 120.500 -0.436 0.000 2.613 68 R HA 0.319 4.660 4.340 0.001 0.000 0.361 68 R C 0.856 176.819 176.300 -0.562 0.000 1.072 68 R CA 0.186 55.972 56.100 -0.524 0.000 1.089 68 R CB 0.258 30.130 30.300 -0.715 0.000 1.343 68 R HN 0.140 8.410 8.270 -0.000 0.000 0.571 69 G N 1.227 109.792 108.800 -0.392 0.000 2.168 69 G HA2 -0.357 3.604 3.960 0.001 0.000 0.257 69 G HA3 -0.357 3.604 3.960 0.001 0.000 0.257 69 G C 0.274 175.025 174.900 -0.248 0.000 0.997 69 G CA 0.622 45.538 45.100 -0.305 0.000 0.708 69 G HN 0.565 8.855 8.290 -0.000 0.000 0.520 70 Y N -1.256 118.988 120.300 -0.093 0.000 2.439 70 Y HA 0.341 4.891 4.550 0.001 0.000 0.292 70 Y C 1.577 177.392 175.900 -0.140 0.000 1.130 70 Y CA 1.114 59.173 58.100 -0.068 0.000 1.254 70 Y CB 0.639 39.143 38.460 0.073 0.000 1.000 70 Y HN 0.348 8.628 8.280 -0.000 0.000 0.554 71 V N 0.699 120.635 119.914 0.038 0.000 2.752 71 V HA 0.276 4.396 4.120 0.001 0.000 0.302 71 V C -1.364 174.758 176.094 0.047 0.000 1.133 71 V CA -1.136 61.135 62.300 -0.048 0.000 0.919 71 V CB 1.808 33.569 31.823 -0.104 0.000 1.026 71 V HN -0.061 8.129 8.190 -0.000 0.000 0.429 72 K N 6.121 126.519 120.400 -0.002 0.000 2.143 72 K HA 0.643 4.964 4.320 0.001 0.000 0.272 72 K C -1.052 175.575 176.600 0.045 0.000 1.001 72 K CA -0.477 55.849 56.287 0.065 0.000 0.915 72 K CB 1.601 34.100 32.500 -0.001 0.000 1.047 72 K HN 0.577 8.827 8.250 -0.000 0.000 0.458 73 L N 3.565 124.826 121.223 0.063 0.000 2.295 73 L HA 0.358 4.699 4.340 0.001 0.000 0.281 73 L C -0.461 176.390 176.870 -0.031 0.000 1.018 73 L CA -0.282 54.524 54.840 -0.057 0.000 0.841 73 L CB 0.890 42.800 42.059 -0.248 0.000 1.218 73 L HN 0.622 8.852 8.230 -0.000 0.000 0.424 74 E N 1.476 121.662 120.200 -0.023 0.000 2.383 74 E HA 0.621 4.971 4.350 0.001 0.000 0.275 74 E C 0.291 176.882 176.600 -0.015 0.000 0.918 74 E CA -0.449 55.941 56.400 -0.017 0.000 0.764 74 E CB 2.365 32.062 29.700 -0.006 0.000 1.252 74 E HN 0.583 8.943 8.360 -0.000 0.000 0.449 75 G N 1.965 110.755 108.800 -0.018 0.000 2.634 75 G HA2 -0.379 3.582 3.960 0.001 0.000 0.309 75 G HA3 -0.379 3.582 3.960 0.001 0.000 0.309 75 G C -0.326 174.566 174.900 -0.013 0.000 1.265 75 G CA 0.128 45.220 45.100 -0.013 0.000 0.998 75 G HN 0.538 8.828 8.290 -0.000 0.000 0.551 76 R N -0.140 120.363 120.500 0.005 0.000 2.288 76 R HA 0.433 4.774 4.340 0.001 0.000 0.330 76 R C -0.226 176.093 176.300 0.031 0.000 1.069 76 R CA -0.321 55.789 56.100 0.016 0.000 0.941 76 R CB 0.905 31.227 30.300 0.036 0.000 0.998 76 R HN 0.339 8.609 8.270 -0.000 0.000 0.452 77 V N 5.920 125.844 119.914 0.016 0.000 2.427 77 V HA 0.402 4.523 4.120 0.001 0.000 0.286 77 V C 0.308 176.435 176.094 0.056 0.000 1.034 77 V CA -0.582 61.735 62.300 0.030 0.000 0.893 77 V CB 1.670 33.492 31.823 -0.001 0.000 0.982 77 V HN 0.635 8.825 8.190 -0.000 0.000 0.452 78 I N 3.533 124.157 120.570 0.090 0.000 2.436 78 I HA 0.418 4.588 4.170 0.001 0.000 0.289 78 I C -1.075 175.091 176.117 0.082 0.000 1.010 78 I CA -0.393 60.979 61.300 0.119 0.000 1.098 78 I CB 2.107 40.205 38.000 0.164 0.000 1.266 78 I HN 0.545 8.755 8.210 -0.000 0.000 0.434 79 D N 7.743 128.205 120.400 0.103 0.000 2.461 79 D HA 0.378 5.018 4.640 0.001 0.000 0.240 79 D C -0.819 175.524 176.300 0.071 0.000 1.094 79 D CA -0.276 53.791 54.000 0.112 0.000 0.868 79 D CB 0.928 41.820 40.800 0.154 0.000 1.062 79 D HN 0.298 8.668 8.370 -0.000 0.000 0.530 80 L N 3.048 124.234 121.223 -0.061 0.000 2.290 80 L HA 0.503 4.844 4.340 0.001 0.000 0.284 80 L C 1.361 178.156 176.870 -0.125 0.000 1.078 80 L CA -0.562 54.186 54.840 -0.153 0.000 0.815 80 L CB 1.279 43.101 42.059 -0.396 0.000 1.162 80 L HN 0.731 8.961 8.230 -0.000 0.000 0.435 81 G N 2.123 110.871 108.800 -0.087 0.000 2.326 81 G HA2 -0.261 3.700 3.960 0.001 0.000 0.286 81 G HA3 -0.261 3.700 3.960 0.001 0.000 0.286 81 G C 0.765 175.598 174.900 -0.111 0.000 1.096 81 G CA 0.092 45.124 45.100 -0.112 0.000 1.003 81 G HN 0.995 9.285 8.290 -0.000 0.000 0.503 82 C N -0.831 118.449 119.300 -0.033 0.000 2.448 82 C HA 0.490 4.951 4.460 0.001 0.000 0.280 82 C C 2.690 177.657 174.990 -0.038 0.000 1.398 82 C CA 0.759 59.771 59.018 -0.009 0.000 1.774 82 C CB -1.211 26.605 27.740 0.127 0.000 1.888 82 C HN 2.490 10.720 8.230 -0.000 0.000 0.519 83 G N 1.516 110.285 108.800 -0.053 0.000 2.611 83 G HA2 -0.365 3.596 3.960 0.001 0.000 0.301 83 G HA3 -0.365 3.596 3.960 0.001 0.000 0.301 83 G C 0.928 175.783 174.900 -0.076 0.000 1.233 83 G CA 0.796 45.863 45.100 -0.054 0.000 0.993 83 G HN 0.576 8.866 8.290 -0.000 0.000 0.553 84 R N 1.527 122.001 120.500 -0.044 0.000 2.193 84 R HA 0.247 4.587 4.340 0.001 0.000 0.229 84 R C 2.120 178.419 176.300 -0.003 0.000 1.110 84 R CA 1.523 57.598 56.100 -0.042 0.000 0.988 84 R CB -0.310 30.000 30.300 0.017 0.000 0.871 84 R HN 2.048 10.318 8.270 -0.000 0.000 0.458 85 G N -1.153 107.700 108.800 0.087 0.000 2.154 85 G HA2 -0.195 3.765 3.960 0.001 0.000 0.186 85 G HA3 -0.195 3.765 3.960 0.001 0.000 0.186 85 G C 0.792 175.953 174.900 0.436 0.000 1.000 85 G CA -0.062 45.205 45.100 0.278 0.000 0.664 85 G HN 0.440 8.730 8.290 -0.000 0.000 0.513 86 G N -0.154 108.860 108.800 0.356 0.000 2.469 86 G HA2 -0.162 3.799 3.960 0.001 0.000 0.220 86 G HA3 -0.162 3.799 3.960 0.001 0.000 0.220 86 G C 1.425 176.667 174.900 0.571 0.000 1.136 86 G CA 1.768 47.126 45.100 0.431 0.000 0.759 86 G HN 0.463 8.753 8.290 -0.000 0.000 0.562 87 W N -0.013 121.409 121.300 0.203 0.000 2.476 87 W HA 0.153 4.814 4.660 0.001 0.000 0.281 87 W C 2.695 179.315 176.519 0.168 0.000 1.230 87 W CA -0.347 57.110 57.345 0.186 0.000 1.287 87 W CB -1.218 28.325 29.460 0.138 0.000 1.108 87 W HN 0.178 8.358 8.180 -0.000 0.000 0.567 88 C N -1.136 118.370 119.300 0.344 0.000 2.432 88 C HA -0.215 4.246 4.460 0.001 0.000 0.277 88 C C 2.478 177.480 174.990 0.019 0.000 1.249 88 C CA 0.838 59.905 59.018 0.082 0.000 1.725 88 C CB -1.515 26.187 27.740 -0.063 0.000 2.028 88 C HN 0.301 8.531 8.230 -0.000 0.000 0.477 89 Y N -1.258 119.192 120.300 0.250 0.000 2.242 89 Y HA -0.217 4.333 4.550 0.001 0.000 0.291 89 Y C 2.497 178.488 175.900 0.150 0.000 1.137 89 Y CA 1.993 60.213 58.100 0.199 0.000 1.181 89 Y CB -0.565 38.038 38.460 0.237 0.000 0.989 89 Y HN 0.373 8.653 8.280 -0.000 0.000 0.527 90 Y N 0.245 120.683 120.300 0.230 0.000 2.145 90 Y HA -0.253 4.297 4.550 0.001 0.000 0.286 90 Y C 2.409 178.310 175.900 0.002 0.000 1.145 90 Y CA 1.109 59.269 58.100 0.101 0.000 1.148 90 Y CB -0.709 37.781 38.460 0.050 0.000 0.981 90 Y HN 0.048 8.328 8.280 -0.000 0.000 0.507 91 A N 0.487 123.289 122.820 -0.030 0.000 1.902 91 A HA -0.122 4.199 4.320 0.001 0.000 0.217 91 A C 2.405 179.884 177.584 -0.174 0.000 1.181 91 A CA 1.913 53.855 52.037 -0.158 0.000 0.623 91 A CB -1.540 17.434 19.000 -0.044 0.000 0.818 91 A HN 0.591 8.741 8.150 -0.000 0.000 0.443 92 A N -0.439 122.321 122.820 -0.100 0.000 2.076 92 A HA 0.183 4.504 4.320 0.001 0.000 0.220 92 A C 2.229 179.760 177.584 -0.088 0.000 1.160 92 A CA 1.832 53.813 52.037 -0.093 0.000 0.653 92 A CB -0.680 18.281 19.000 -0.065 0.000 0.801 92 A HN 1.090 9.240 8.150 -0.000 0.000 0.455 93 A N -1.306 121.447 122.820 -0.112 0.000 2.208 93 A HA 0.167 4.487 4.320 0.001 0.000 0.209 93 A C 0.744 178.232 177.584 -0.160 0.000 1.161 93 A CA 0.080 52.051 52.037 -0.109 0.000 0.782 93 A CB -0.009 18.933 19.000 -0.095 0.000 0.816 93 A HN 0.439 8.589 8.150 -0.000 0.000 0.477 94 Q N 0.482 120.151 119.800 -0.217 0.000 2.279 94 Q HA 0.163 4.503 4.340 0.001 0.000 0.256 94 Q C 0.843 176.781 176.000 -0.102 0.000 0.937 94 Q CA 0.011 55.709 55.803 -0.175 0.000 0.933 94 Q CB 1.284 29.878 28.738 -0.242 0.000 1.189 94 Q HN 0.706 8.976 8.270 -0.000 0.000 0.417 95 K N 1.281 121.642 120.400 -0.065 0.000 2.152 95 K HA -0.201 4.119 4.320 0.001 0.000 0.206 95 K C 0.492 177.065 176.600 -0.045 0.000 1.048 95 K CA 1.623 57.880 56.287 -0.049 0.000 0.933 95 K CB 0.137 32.616 32.500 -0.034 0.000 0.721 95 K HN 0.283 8.533 8.250 -0.000 0.000 0.447 96 E N 1.079 121.257 120.200 -0.038 0.000 2.347 96 E HA 0.018 4.369 4.350 0.001 0.000 0.196 96 E C -0.015 176.560 176.600 -0.041 0.000 1.008 96 E CA 0.305 56.688 56.400 -0.030 0.000 0.852 96 E CB 0.187 29.881 29.700 -0.009 0.000 0.783 96 E HN 0.065 8.425 8.360 -0.000 0.000 0.505 97 V N 1.553 121.429 119.914 -0.063 0.000 2.498 97 V HA 0.045 4.165 4.120 0.001 0.000 0.279 97 V C 1.193 177.247 176.094 -0.067 0.000 1.048 97 V CA 0.483 62.742 62.300 -0.069 0.000 0.967 97 V CB 1.624 33.389 31.823 -0.098 0.000 0.988 97 V HN 0.268 8.458 8.190 -0.000 0.000 0.473 98 S N 2.567 118.232 115.700 -0.057 0.000 2.497 98 S HA 0.433 4.903 4.470 0.001 0.000 0.218 98 S C 0.663 175.219 174.600 -0.073 0.000 1.023 98 S CA 0.322 58.486 58.200 -0.060 0.000 0.913 98 S CB 0.652 63.827 63.200 -0.042 0.000 0.800 98 S HN 1.193 9.503 8.310 -0.000 0.000 0.505 99 G N 0.057 108.813 108.800 -0.074 0.000 2.616 99 G HA2 0.519 4.480 3.960 0.001 0.000 0.294 99 G HA3 0.519 4.480 3.960 0.001 0.000 0.294 99 G C -2.024 172.821 174.900 -0.093 0.000 1.489 99 G CA -0.536 44.510 45.100 -0.092 0.000 0.836 99 G HN 0.364 8.654 8.290 -0.000 0.000 0.527 100 V N 0.755 120.586 119.914 -0.138 0.000 2.638 100 V HA 0.573 4.694 4.120 0.001 0.000 0.306 100 V C -0.488 175.480 176.094 -0.209 0.000 1.052 100 V CA -0.965 61.244 62.300 -0.152 0.000 0.885 100 V CB 1.979 33.682 31.823 -0.199 0.000 0.999 100 V HN 0.702 8.892 8.190 -0.000 0.000 0.424 101 K N 2.965 123.275 120.400 -0.150 0.000 2.394 101 K HA 0.682 5.002 4.320 0.001 0.000 0.260 101 K C 0.053 176.474 176.600 -0.299 0.000 0.967 101 K CA -0.369 55.766 56.287 -0.253 0.000 0.855 101 K CB 2.264 34.721 32.500 -0.071 0.000 1.101 101 K HN 0.895 9.145 8.250 -0.000 0.000 0.433 102 G N 2.648 111.182 108.800 -0.443 0.000 2.415 102 G HA2 0.664 4.625 3.960 0.001 0.000 0.327 102 G HA3 0.664 4.625 3.960 0.001 0.000 0.327 102 G C -1.134 173.532 174.900 -0.391 0.000 1.182 102 G CA -0.418 44.558 45.100 -0.206 0.000 0.924 102 G HN 0.358 8.648 8.290 -0.000 0.000 0.470 103 F N 0.174 120.147 119.950 0.038 0.000 2.551 103 F HA 0.769 5.296 4.527 0.001 0.000 0.316 103 F C 0.429 176.215 175.800 -0.022 0.000 1.089 103 F CA -0.677 57.333 58.000 0.016 0.000 0.915 103 F CB 3.171 42.156 39.000 -0.024 0.000 1.186 103 F HN 0.536 8.836 8.300 -0.000 0.000 0.456 104 T N 2.078 116.720 114.554 0.147 0.000 2.830 104 T HA 0.385 4.736 4.350 0.001 0.000 0.322 104 T C 0.516 175.225 174.700 0.015 0.000 1.501 104 T CA -0.549 61.572 62.100 0.035 0.000 1.036 104 T CB 1.136 70.004 68.868 -0.001 0.000 1.379 104 T HN 0.564 8.804 8.240 -0.000 0.000 0.493 105 L N 2.059 123.247 121.223 -0.058 0.000 2.005 105 L HA 0.181 4.521 4.340 0.001 0.000 0.207 105 L C 2.052 178.936 176.870 0.022 0.000 1.072 105 L CA 1.193 55.995 54.840 -0.062 0.000 0.744 105 L CB -0.681 41.214 42.059 -0.274 0.000 0.895 105 L HN 1.076 9.306 8.230 -0.000 0.000 0.433 106 G N 1.623 110.451 108.800 0.047 0.000 2.421 106 G HA2 -0.302 3.658 3.960 0.001 0.000 0.300 106 G HA3 -0.302 3.658 3.960 0.001 0.000 0.300 106 G C 0.118 175.070 174.900 0.086 0.000 0.974 106 G CA 0.927 46.066 45.100 0.066 0.000 1.062 106 G HN 0.649 8.939 8.290 -0.000 0.000 0.514 107 R N -1.597 118.996 120.500 0.154 0.000 2.690 107 R HA 0.526 4.866 4.340 0.001 0.000 0.269 107 R C -0.380 176.000 176.300 0.134 0.000 1.037 107 R CA -0.449 55.722 56.100 0.118 0.000 0.877 107 R CB 0.549 30.909 30.300 0.099 0.000 1.255 107 R HN 0.012 8.282 8.270 -0.000 0.000 0.467 108 D N 0.479 120.905 120.400 0.044 0.000 2.708 108 D HA -0.200 4.440 4.640 0.001 0.000 0.236 108 D C 0.889 177.096 176.300 -0.156 0.000 1.146 108 D CA 2.153 56.141 54.000 -0.020 0.000 0.662 108 D CB -1.203 39.611 40.800 0.024 0.000 1.059 108 D HN 1.131 9.501 8.370 -0.000 0.000 0.428 109 G N -0.712 108.014 108.800 -0.122 0.000 2.234 109 G HA2 -0.298 3.663 3.960 0.001 0.000 0.235 109 G HA3 -0.298 3.663 3.960 0.001 0.000 0.235 109 G C 0.216 175.007 174.900 -0.183 0.000 0.997 109 G CA 0.153 45.150 45.100 -0.171 0.000 0.623 109 G HN 0.591 8.881 8.290 -0.000 0.000 0.514 110 H N 2.002 121.072 119.070 -0.001 0.000 2.764 110 H HA 0.382 4.939 4.556 0.001 0.000 0.341 110 H C 0.586 175.905 175.328 -0.014 0.000 1.072 110 H CA 0.204 56.248 56.048 -0.005 0.000 1.444 110 H CB 0.654 30.415 29.762 -0.001 0.000 1.458 110 H HN 0.494 8.774 8.280 -0.000 0.000 0.572 111 E N 2.451 122.711 120.200 0.101 0.000 2.529 111 E HA 0.019 4.369 4.350 0.001 0.000 0.259 111 E C 0.020 176.626 176.600 0.010 0.000 0.966 111 E CA 0.429 56.849 56.400 0.033 0.000 0.937 111 E CB 0.571 30.280 29.700 0.016 0.000 0.923 111 E HN 0.380 8.740 8.360 -0.000 0.000 0.468 112 K N 3.780 124.166 120.400 -0.022 0.000 2.118 112 K HA 0.368 4.689 4.320 0.001 0.000 0.254 112 K C -2.398 174.120 176.600 -0.137 0.000 0.961 112 K CA -2.212 54.039 56.287 -0.060 0.000 0.876 112 K CB 0.872 33.346 32.500 -0.043 0.000 1.077 112 K HN 0.267 8.517 8.250 -0.000 0.000 0.440 113 P HA -0.027 4.393 4.420 -0.000 0.000 0.265 113 P C -0.742 176.348 177.300 -0.351 0.000 1.193 113 P CA 0.641 63.418 63.100 -0.538 0.000 0.765 113 P CB 0.460 31.538 31.700 -1.037 0.000 0.823 114 M N 2.521 121.983 119.600 -0.230 0.000 2.318 114 M HA 0.212 4.693 4.480 0.001 0.000 0.347 114 M C 0.587 176.930 176.300 0.070 0.000 1.175 114 M CA -0.154 55.114 55.300 -0.053 0.000 1.075 114 M CB 1.073 33.672 32.600 -0.001 0.000 1.614 114 M HN 0.283 8.573 8.290 -0.000 0.000 0.456 115 N N 2.745 121.475 118.700 0.050 0.000 2.462 115 N HA 0.481 5.222 4.740 0.001 0.000 0.242 115 N C -1.433 174.073 175.510 -0.008 0.000 1.010 115 N CA -0.520 52.593 53.050 0.104 0.000 0.939 115 N CB 0.807 39.316 38.487 0.037 0.000 1.127 115 N HN 0.502 8.882 8.380 -0.000 0.000 0.509 116 V N 0.936 120.828 119.914 -0.035 0.000 3.141 116 V HA 0.444 4.564 4.120 0.001 0.000 0.312 116 V C -0.257 175.708 176.094 -0.214 0.000 1.157 116 V CA -0.873 61.295 62.300 -0.220 0.000 1.041 116 V CB 2.016 33.614 31.823 -0.375 0.000 1.071 116 V HN 0.525 8.715 8.190 -0.000 0.000 0.441 117 Q N 1.425 121.067 119.800 -0.263 0.000 2.354 117 Q HA 0.353 4.694 4.340 0.001 0.000 0.372 117 Q C 0.307 176.346 176.000 0.065 0.000 0.923 117 Q CA -0.238 55.374 55.803 -0.318 0.000 1.123 117 Q CB 0.937 29.330 28.738 -0.574 0.000 1.298 117 Q HN 0.983 9.253 8.270 -0.000 0.000 0.419 118 S N -0.413 115.352 115.700 0.108 0.000 2.608 118 S HA 0.224 4.695 4.470 0.001 0.000 0.261 118 S C 0.248 175.036 174.600 0.313 0.000 1.314 118 S CA -0.876 57.419 58.200 0.157 0.000 0.992 118 S CB 0.886 64.136 63.200 0.084 0.000 0.935 118 S HN 0.396 8.706 8.310 -0.000 0.000 0.564 119 L N 2.012 123.358 121.223 0.205 0.000 2.640 119 L HA 0.337 4.678 4.340 0.001 0.000 0.280 119 L C 1.358 178.307 176.870 0.131 0.000 1.229 119 L CA 2.084 57.018 54.840 0.156 0.000 0.919 119 L CB -0.918 41.184 42.059 0.072 0.000 1.168 119 L HN 1.238 9.468 8.230 -0.000 0.000 0.496 120 G N 4.303 113.123 108.800 0.033 0.000 2.143 120 G HA2 -0.311 3.649 3.960 0.001 0.000 0.249 120 G HA3 -0.311 3.649 3.960 0.001 0.000 0.249 120 G C 0.771 175.609 174.900 -0.102 0.000 0.981 120 G CA 0.636 45.680 45.100 -0.094 0.000 0.665 120 G HN 1.073 9.363 8.290 -0.000 0.000 0.528 121 W N 1.884 123.241 121.300 0.095 0.000 2.331 121 W HA -0.208 4.453 4.660 0.002 0.000 0.291 121 W C 1.557 178.084 176.519 0.013 0.000 1.214 121 W CA 1.393 58.820 57.345 0.137 0.000 1.228 121 W CB -1.164 28.454 29.460 0.263 0.000 1.135 121 W HN 0.523 8.703 8.180 -0.000 0.000 0.537 122 N N 3.001 121.000 118.700 -1.168 0.000 2.520 122 N HA -0.187 4.554 4.740 0.001 0.000 0.185 122 N C 1.526 176.745 175.510 -0.485 0.000 1.068 122 N CA 1.689 54.079 53.050 -1.101 0.000 0.911 122 N CB -1.141 36.539 38.487 -1.344 0.000 0.961 122 N HN 0.612 8.992 8.380 -0.000 0.000 0.446 123 I N -2.750 117.603 120.570 -0.360 0.000 3.875 123 I HA 0.365 4.535 4.170 0.001 0.000 0.329 123 I C -0.121 175.847 176.117 -0.248 0.000 1.295 123 I CA -0.391 60.757 61.300 -0.253 0.000 1.129 123 I CB -0.021 37.857 38.000 -0.202 0.000 1.008 123 I HN -0.169 8.041 8.210 -0.000 0.000 0.413 124 I N 1.521 121.913 120.570 -0.297 0.000 2.392 124 I HA 0.309 4.479 4.170 0.001 0.000 0.295 124 I C -0.327 175.527 176.117 -0.439 0.000 0.985 124 I CA -0.326 60.704 61.300 -0.450 0.000 1.221 124 I CB 1.832 39.393 38.000 -0.732 0.000 1.366 124 I HN 0.009 8.219 8.210 -0.000 0.000 0.467 125 T N 6.324 120.607 114.554 -0.452 0.000 2.864 125 T HA 0.460 4.811 4.350 0.001 0.000 0.310 125 T C -0.428 174.039 174.700 -0.388 0.000 1.040 125 T CA -0.326 61.583 62.100 -0.318 0.000 0.977 125 T CB 0.156 68.900 68.868 -0.207 0.000 0.976 125 T HN 0.142 8.382 8.240 -0.000 0.000 0.459 126 F N 2.677 122.532 119.950 -0.158 0.000 2.396 126 F HA 0.575 5.102 4.527 0.001 0.000 0.343 126 F C 0.710 176.405 175.800 -0.175 0.000 1.104 126 F CA -0.841 57.050 58.000 -0.182 0.000 1.161 126 F CB 1.131 40.075 39.000 -0.093 0.000 1.146 126 F HN 0.199 8.499 8.300 -0.000 0.000 0.522 127 K N 3.994 124.388 120.400 -0.010 0.000 2.613 127 K HA 0.203 4.524 4.320 0.001 0.000 0.248 127 K C -1.104 175.541 176.600 0.073 0.000 0.959 127 K CA -0.664 55.622 56.287 -0.001 0.000 0.855 127 K CB 0.644 33.099 32.500 -0.075 0.000 1.143 127 K HN 0.591 8.841 8.250 -0.000 0.000 0.437 128 D N 2.845 123.288 120.400 0.073 0.000 2.539 128 D HA 0.241 4.882 4.640 0.001 0.000 0.276 128 D C -0.675 175.673 176.300 0.080 0.000 1.206 128 D CA -0.335 53.703 54.000 0.063 0.000 1.081 128 D CB 0.474 41.292 40.800 0.030 0.000 1.142 128 D HN 0.595 8.965 8.370 -0.000 0.000 0.595 129 K N -1.385 119.053 120.400 0.063 0.000 3.035 129 K HA -0.120 4.200 4.320 0.001 0.000 0.262 129 K C -0.756 175.889 176.600 0.076 0.000 1.024 129 K CA 0.769 57.094 56.287 0.063 0.000 0.748 129 K CB -1.907 30.629 32.500 0.061 0.000 1.247 129 K HN 0.493 8.743 8.250 -0.000 0.000 0.482 130 T N 0.640 115.244 114.554 0.083 0.000 2.840 130 T HA 0.121 4.472 4.350 0.001 0.000 0.287 130 T C -0.912 173.811 174.700 0.039 0.000 0.991 130 T CA -0.789 61.370 62.100 0.097 0.000 0.964 130 T CB 1.594 70.590 68.868 0.213 0.000 0.954 130 T HN 0.114 8.354 8.240 -0.000 0.000 0.438 131 D N 3.137 123.550 120.400 0.022 0.000 2.380 131 D HA 0.125 4.766 4.640 0.001 0.000 0.230 131 D C 1.370 177.650 176.300 -0.035 0.000 1.154 131 D CA -1.020 52.978 54.000 -0.003 0.000 0.859 131 D CB 0.641 41.466 40.800 0.042 0.000 1.045 131 D HN 0.484 8.854 8.370 -0.000 0.000 0.495 132 I N 1.959 122.446 120.570 -0.138 0.000 2.850 132 I HA -0.141 4.030 4.170 0.001 0.000 0.266 132 I C 1.439 177.472 176.117 -0.140 0.000 1.257 132 I CA 1.069 62.253 61.300 -0.193 0.000 1.465 132 I CB -0.539 37.266 38.000 -0.325 0.000 1.091 132 I HN 0.355 8.565 8.210 -0.000 0.000 0.467 133 H N 1.642 120.722 119.070 0.017 0.000 2.495 133 H HA 0.166 4.722 4.556 0.001 0.000 0.287 133 H C 1.498 176.856 175.328 0.050 0.000 1.033 133 H CA 1.079 57.151 56.048 0.040 0.000 1.307 133 H CB 0.038 29.807 29.762 0.013 0.000 1.401 133 H HN 0.490 8.770 8.280 -0.000 0.000 0.555 134 R N 0.162 120.740 120.500 0.128 0.000 2.397 134 R HA 0.114 4.454 4.340 0.001 0.000 0.241 134 R C -0.047 176.281 176.300 0.047 0.000 0.914 134 R CA -0.346 55.800 56.100 0.078 0.000 1.071 134 R CB 0.569 30.906 30.300 0.061 0.000 1.116 134 R HN -0.062 8.208 8.270 -0.000 0.000 0.524 135 L N 2.201 123.459 121.223 0.059 0.000 2.319 135 L HA 0.122 4.463 4.340 0.001 0.000 0.280 135 L C 0.176 177.048 176.870 0.004 0.000 1.099 135 L CA -0.084 54.775 54.840 0.031 0.000 0.828 135 L CB 0.840 42.895 42.059 -0.006 0.000 1.150 135 L HN 0.018 8.248 8.230 -0.000 0.000 0.442 136 E N 6.603 126.743 120.200 -0.100 0.000 2.366 136 E HA 0.150 4.501 4.350 0.001 0.000 0.266 136 E C -2.159 174.121 176.600 -0.532 0.000 1.015 136 E CA -1.531 54.730 56.400 -0.233 0.000 0.906 136 E CB 0.559 30.162 29.700 -0.161 0.000 0.979 136 E HN 0.497 8.857 8.360 -0.000 0.000 0.443 137 P HA -0.056 4.364 4.420 -0.000 0.000 0.266 137 P C -1.213 175.534 177.300 -0.922 0.000 1.195 137 P CA 0.021 62.066 63.100 -1.759 0.000 0.768 137 P CB 0.712 31.577 31.700 -1.392 0.000 0.838 138 V N 3.071 122.514 119.914 -0.785 0.000 2.680 138 V HA 0.318 4.439 4.120 0.001 0.000 0.309 138 V C 0.182 176.261 176.094 -0.025 0.000 1.052 138 V CA -0.941 61.248 62.300 -0.185 0.000 0.908 138 V CB 2.016 33.879 31.823 0.067 0.000 1.001 138 V HN 0.360 8.550 8.190 -0.000 0.000 0.431 139 K N 3.457 123.854 120.400 -0.006 0.000 2.412 139 K HA 0.433 4.754 4.320 0.001 0.000 0.281 139 K C -0.400 176.255 176.600 0.091 0.000 1.027 139 K CA 0.224 56.532 56.287 0.035 0.000 0.989 139 K CB 0.076 32.585 32.500 0.015 0.000 0.935 139 K HN 1.017 9.267 8.250 -0.000 0.000 0.475 140 C N 1.403 120.769 119.300 0.109 0.000 3.332 140 C HA 0.570 5.031 4.460 0.001 0.000 0.329 140 C C 0.056 175.099 174.990 0.088 0.000 1.434 140 C CA -0.681 58.404 59.018 0.111 0.000 1.314 140 C CB 1.117 28.954 27.740 0.161 0.000 1.664 140 C HN 0.825 9.055 8.230 -0.000 0.000 0.457 141 D N -0.026 120.417 120.400 0.071 0.000 2.379 141 D HA 0.164 4.804 4.640 0.001 0.000 0.218 141 D C 0.059 176.395 176.300 0.060 0.000 1.006 141 D CA 1.094 55.128 54.000 0.057 0.000 0.893 141 D CB 0.641 41.461 40.800 0.034 0.000 1.019 141 D HN 0.721 9.091 8.370 -0.000 0.000 0.503 142 T N 1.571 116.163 114.554 0.063 0.000 2.890 142 T HA 0.389 4.740 4.350 0.001 0.000 0.295 142 T C -0.814 173.939 174.700 0.088 0.000 0.993 142 T CA -0.522 61.614 62.100 0.060 0.000 0.979 142 T CB 1.983 70.865 68.868 0.023 0.000 0.967 142 T HN -0.130 8.110 8.240 -0.000 0.000 0.441 143 L N 5.470 126.765 121.223 0.119 0.000 2.287 143 L HA 0.671 5.012 4.340 0.001 0.000 0.287 143 L C -1.313 175.636 176.870 0.132 0.000 1.022 143 L CA -0.431 54.474 54.840 0.108 0.000 0.814 143 L CB 0.439 42.557 42.059 0.099 0.000 1.217 143 L HN 0.578 8.808 8.230 -0.000 0.000 0.420 144 L N 5.076 126.380 121.223 0.135 0.000 2.346 144 L HA 0.686 5.027 4.340 0.001 0.000 0.274 144 L C -0.917 176.079 176.870 0.210 0.000 1.007 144 L CA -0.717 54.293 54.840 0.284 0.000 0.818 144 L CB 1.999 44.317 42.059 0.431 0.000 1.284 144 L HN 0.703 8.933 8.230 -0.000 0.000 0.424 145 C N 1.544 121.018 119.300 0.289 0.000 2.716 145 C HA 0.379 4.840 4.460 0.001 0.000 0.366 145 C C -0.872 174.142 174.990 0.039 0.000 1.073 145 C CA -0.496 58.554 59.018 0.053 0.000 1.260 145 C CB 1.203 28.918 27.740 -0.042 0.000 1.755 145 C HN 0.899 9.129 8.230 -0.000 0.000 0.475 146 D N 4.784 125.047 120.400 -0.228 0.000 3.010 146 D HA 0.435 5.076 4.640 0.001 0.000 0.347 146 D C -0.244 175.942 176.300 -0.189 0.000 1.340 146 D CA 0.072 53.888 54.000 -0.307 0.000 0.858 146 D CB -0.048 40.170 40.800 -0.969 0.000 1.111 146 D HN 0.632 9.002 8.370 -0.000 0.000 0.482 147 I N 0.103 120.601 120.570 -0.120 0.000 2.412 147 I HA 0.689 4.860 4.170 0.001 0.000 0.296 147 I C 0.472 176.560 176.117 -0.048 0.000 0.987 147 I CA -0.660 60.588 61.300 -0.087 0.000 1.180 147 I CB 2.223 40.165 38.000 -0.096 0.000 1.340 147 I HN 0.211 8.421 8.210 -0.000 0.000 0.455 148 G N 4.833 113.621 108.800 -0.019 0.000 1.853 148 G HA2 0.046 4.007 3.960 0.001 0.000 0.225 148 G HA3 0.046 4.007 3.960 0.001 0.000 0.225 148 G C -1.256 173.662 174.900 0.030 0.000 1.960 148 G CA -0.759 44.342 45.100 0.002 0.000 0.909 148 G HN 0.662 8.952 8.290 -0.000 0.000 0.599 149 E N 2.322 122.549 120.200 0.044 0.000 2.194 149 E HA 0.528 4.879 4.350 0.001 0.000 0.284 149 E C 0.633 177.276 176.600 0.071 0.000 1.035 149 E CA -0.475 55.961 56.400 0.061 0.000 0.836 149 E CB 0.637 30.377 29.700 0.067 0.000 1.070 149 E HN 0.305 8.665 8.360 -0.000 0.000 0.401 150 S N 2.593 118.346 115.700 0.088 0.000 2.566 150 S HA 0.127 4.598 4.470 0.001 0.000 0.280 150 S C -0.226 174.427 174.600 0.088 0.000 1.343 150 S CA -0.201 58.066 58.200 0.112 0.000 1.036 150 S CB 1.123 64.405 63.200 0.137 0.000 0.866 150 S HN 0.515 8.825 8.310 -0.000 0.000 0.526 151 S N 0.203 115.959 115.700 0.094 0.000 2.536 151 S HA 0.365 4.835 4.470 0.001 0.000 0.271 151 S C 0.861 175.495 174.600 0.057 0.000 1.134 151 S CA -0.323 57.915 58.200 0.062 0.000 0.897 151 S CB 1.282 64.514 63.200 0.053 0.000 1.094 151 S HN 0.725 9.035 8.310 -0.000 0.000 0.473 152 S N 2.328 118.037 115.700 0.016 0.000 2.474 152 S HA 0.037 4.507 4.470 0.001 0.000 0.235 152 S C 0.883 175.483 174.600 -0.000 0.000 0.997 152 S CA 0.691 58.881 58.200 -0.016 0.000 0.949 152 S CB -0.256 62.912 63.200 -0.052 0.000 0.766 152 S HN 0.704 9.014 8.310 -0.000 0.000 0.517 153 S N 1.560 117.275 115.700 0.024 0.000 2.438 153 S HA 0.415 4.885 4.470 0.001 0.000 0.293 153 S C 1.238 175.886 174.600 0.080 0.000 1.141 153 S CA -0.193 58.029 58.200 0.035 0.000 1.080 153 S CB 1.110 64.323 63.200 0.022 0.000 0.978 153 S HN 0.504 8.814 8.310 -0.000 0.000 0.479 154 S N 4.614 120.381 115.700 0.112 0.000 2.402 154 S HA -0.090 4.380 4.470 0.001 0.000 0.229 154 S C 1.733 176.394 174.600 0.101 0.000 1.021 154 S CA 1.192 59.513 58.200 0.201 0.000 0.974 154 S CB -0.678 62.694 63.200 0.286 0.000 0.800 154 S HN 0.569 8.879 8.310 -0.000 0.000 0.484 155 V N 2.334 122.284 119.914 0.060 0.000 2.343 155 V HA -0.172 3.948 4.120 0.001 0.000 0.247 155 V C 2.886 178.985 176.094 0.009 0.000 1.051 155 V CA 2.336 64.650 62.300 0.023 0.000 1.036 155 V CB -1.492 30.341 31.823 0.016 0.000 0.654 155 V HN 0.597 8.787 8.190 -0.000 0.000 0.451 156 T N -0.556 114.010 114.554 0.020 0.000 2.777 156 T HA -0.169 4.182 4.350 0.001 0.000 0.266 156 T C 1.805 176.512 174.700 0.011 0.000 1.040 156 T CA 1.453 63.561 62.100 0.013 0.000 1.141 156 T CB -0.223 68.656 68.868 0.020 0.000 0.868 156 T HN 0.578 8.818 8.240 -0.000 0.000 0.444 157 E N 0.541 120.760 120.200 0.033 0.000 2.110 157 E HA -0.073 4.278 4.350 0.001 0.000 0.193 157 E C 2.555 179.124 176.600 -0.052 0.000 0.988 157 E CA 0.937 57.352 56.400 0.024 0.000 0.804 157 E CB -0.345 29.414 29.700 0.099 0.000 0.745 157 E HN 0.549 8.909 8.360 -0.000 0.000 0.458 158 G N 1.643 110.395 108.800 -0.080 0.000 2.421 158 G HA2 -0.284 3.677 3.960 0.001 0.000 0.216 158 G HA3 -0.284 3.677 3.960 0.001 0.000 0.216 158 G C 1.332 176.183 174.900 -0.081 0.000 1.171 158 G CA 0.660 45.686 45.100 -0.123 0.000 0.775 158 G HN 0.228 8.518 8.290 -0.000 0.000 0.543 159 E N 0.295 120.464 120.200 -0.052 0.000 2.058 159 E HA -0.130 4.221 4.350 0.001 0.000 0.194 159 E C 2.743 179.314 176.600 -0.047 0.000 0.997 159 E CA 0.770 57.142 56.400 -0.046 0.000 0.801 159 E CB -0.150 29.529 29.700 -0.034 0.000 0.746 159 E HN 0.345 8.705 8.360 -0.000 0.000 0.450 160 R N 0.226 120.705 120.500 -0.035 0.000 2.096 160 R HA -0.075 4.265 4.340 0.001 0.000 0.235 160 R C 2.457 178.742 176.300 -0.025 0.000 1.127 160 R CA 1.624 57.710 56.100 -0.024 0.000 0.968 160 R CB -0.322 29.978 30.300 -0.001 0.000 0.861 160 R HN 0.134 8.404 8.270 -0.000 0.000 0.440 161 T N 0.870 115.395 114.554 -0.048 0.000 2.737 161 T HA -0.103 4.247 4.350 0.001 0.000 0.265 161 T C 2.067 176.734 174.700 -0.056 0.000 1.038 161 T CA 1.574 63.637 62.100 -0.062 0.000 1.144 161 T CB -0.256 68.546 68.868 -0.109 0.000 0.866 161 T HN 0.234 8.474 8.240 -0.000 0.000 0.434 162 V N 0.916 120.792 119.914 -0.064 0.000 2.490 162 V HA -0.079 4.042 4.120 0.001 0.000 0.250 162 V C 2.402 178.476 176.094 -0.033 0.000 1.061 162 V CA 1.670 63.937 62.300 -0.054 0.000 1.064 162 V CB -0.868 30.921 31.823 -0.057 0.000 0.670 162 V HN 0.284 8.474 8.190 -0.000 0.000 0.461 163 R N 0.153 120.630 120.500 -0.037 0.000 2.075 163 R HA -0.068 4.272 4.340 0.001 0.000 0.232 163 R C 2.240 178.575 176.300 0.057 0.000 1.126 163 R CA 1.798 57.872 56.100 -0.045 0.000 0.963 163 R CB -0.333 29.885 30.300 -0.138 0.000 0.858 163 R HN 0.492 8.762 8.270 -0.000 0.000 0.435 164 V N 1.445 121.410 119.914 0.085 0.000 2.295 164 V HA -0.250 3.871 4.120 0.001 0.000 0.246 164 V C 2.362 178.491 176.094 0.057 0.000 1.049 164 V CA 1.666 64.037 62.300 0.118 0.000 1.024 164 V CB -0.359 31.490 31.823 0.045 0.000 0.648 164 V HN 0.346 8.536 8.190 -0.000 0.000 0.447 165 L N -0.055 121.176 121.223 0.013 0.000 2.131 165 L HA -0.186 4.155 4.340 0.001 0.000 0.210 165 L C 2.467 179.352 176.870 0.024 0.000 1.092 165 L CA 1.841 56.678 54.840 -0.005 0.000 0.759 165 L CB -0.715 41.312 42.059 -0.053 0.000 0.903 165 L HN 0.471 8.701 8.230 -0.000 0.000 0.435 166 D N -0.270 120.150 120.400 0.034 0.000 2.097 166 D HA -0.174 4.467 4.640 0.001 0.000 0.195 166 D C 1.857 178.214 176.300 0.095 0.000 0.989 166 D CA 1.818 55.848 54.000 0.049 0.000 0.827 166 D CB 0.306 41.122 40.800 0.027 0.000 0.966 166 D HN 0.236 8.606 8.370 -0.000 0.000 0.456 167 T N 0.196 114.835 114.554 0.141 0.000 2.737 167 T HA -0.079 4.271 4.350 0.001 0.000 0.265 167 T C 2.145 176.983 174.700 0.230 0.000 1.038 167 T CA 0.778 63.005 62.100 0.211 0.000 1.144 167 T CB -0.199 68.840 68.868 0.285 0.000 0.866 167 T HN -0.009 8.231 8.240 -0.000 0.000 0.434 168 V N 1.580 121.563 119.914 0.114 0.000 2.392 168 V HA -0.189 3.931 4.120 0.001 0.000 0.249 168 V C 2.487 178.634 176.094 0.088 0.000 1.059 168 V CA 1.876 64.217 62.300 0.068 0.000 1.051 168 V CB -0.578 31.235 31.823 -0.018 0.000 0.658 168 V HN 0.577 8.767 8.190 -0.000 0.000 0.455 169 E N 0.201 120.445 120.200 0.073 0.000 2.160 169 E HA -0.264 4.086 4.350 0.001 0.000 0.195 169 E C 2.210 178.861 176.600 0.085 0.000 0.991 169 E CA 1.296 57.739 56.400 0.071 0.000 0.810 169 E CB -0.024 29.759 29.700 0.139 0.000 0.742 169 E HN 0.611 8.971 8.360 -0.000 0.000 0.466 170 K N -0.454 120.017 120.400 0.118 0.000 2.097 170 K HA -0.167 4.154 4.320 0.001 0.000 0.206 170 K C 1.796 178.373 176.600 -0.038 0.000 1.049 170 K CA 1.618 57.924 56.287 0.032 0.000 0.933 170 K CB -0.202 32.294 32.500 -0.007 0.000 0.717 170 K HN 0.270 8.520 8.250 -0.000 0.000 0.442 171 W N 1.266 122.513 121.300 -0.089 0.000 2.409 171 W HA 0.024 4.684 4.660 0.001 0.000 0.299 171 W C 1.834 178.257 176.519 -0.161 0.000 1.203 171 W CA 0.416 57.699 57.345 -0.103 0.000 1.298 171 W CB -0.504 28.898 29.460 -0.097 0.000 1.127 171 W HN -0.067 8.113 8.180 -0.000 0.000 0.528 172 L N 0.103 121.272 121.223 -0.091 0.000 2.131 172 L HA -0.157 4.184 4.340 0.001 0.000 0.210 172 L C 2.523 179.196 176.870 -0.328 0.000 1.092 172 L CA 1.172 55.730 54.840 -0.470 0.000 0.759 172 L CB -1.228 40.080 42.059 -1.252 0.000 0.903 172 L HN -0.006 8.224 8.230 -0.000 0.000 0.435 173 A N -0.939 121.838 122.820 -0.071 0.000 2.070 173 A HA -0.200 4.121 4.320 0.001 0.000 0.220 173 A C 2.279 179.916 177.584 0.087 0.000 1.159 173 A CA 1.492 53.629 52.037 0.166 0.000 0.656 173 A CB -0.971 18.122 19.000 0.155 0.000 0.800 173 A HN 0.561 8.711 8.150 -0.000 0.000 0.453 174 C N -1.248 118.059 119.300 0.012 0.000 2.456 174 C HA 0.398 4.858 4.460 0.001 0.000 0.279 174 C C 1.511 176.524 174.990 0.040 0.000 1.427 174 C CA 0.500 59.518 59.018 -0.000 0.000 1.778 174 C CB -1.602 26.111 27.740 -0.045 0.000 1.842 174 C HN 1.214 9.444 8.230 -0.000 0.000 0.531 175 G N 0.650 109.489 108.800 0.065 0.000 3.055 175 G HA2 0.155 4.115 3.960 0.001 0.000 0.654 175 G HA3 0.155 4.115 3.960 0.001 0.000 0.654 175 G C -0.730 174.218 174.900 0.080 0.000 1.134 175 G CA -0.046 45.109 45.100 0.091 0.000 1.049 175 G HN 1.156 9.446 8.290 -0.000 0.000 0.458 176 V N -0.512 119.457 119.914 0.092 0.000 2.823 176 V HA 0.845 4.965 4.120 0.001 0.000 0.312 176 V C 0.531 176.705 176.094 0.133 0.000 1.072 176 V CA -0.340 62.024 62.300 0.106 0.000 0.937 176 V CB 2.255 34.146 31.823 0.114 0.000 1.013 176 V HN 0.336 8.526 8.190 -0.000 0.000 0.430 177 D N 1.714 122.170 120.400 0.094 0.000 2.162 177 D HA 0.085 4.725 4.640 0.001 0.000 0.205 177 D C 0.201 176.507 176.300 0.011 0.000 0.964 177 D CA 1.324 55.360 54.000 0.060 0.000 0.847 177 D CB 0.232 41.049 40.800 0.029 0.000 0.988 177 D HN 0.738 9.108 8.370 -0.000 0.000 0.480 178 N N 0.082 118.785 118.700 0.006 0.000 2.265 178 N HA 0.451 5.192 4.740 0.001 0.000 0.300 178 N C -0.810 174.691 175.510 -0.015 0.000 1.148 178 N CA -0.502 52.475 53.050 -0.122 0.000 0.772 178 N CB 2.498 40.930 38.487 -0.091 0.000 1.434 178 N HN -0.045 8.335 8.380 -0.000 0.000 0.481 179 F N -1.741 118.148 119.950 -0.101 0.000 2.678 179 F HA 0.653 5.180 4.527 0.000 0.000 0.308 179 F C -1.187 174.523 175.800 -0.151 0.000 1.118 179 F CA -1.212 56.717 58.000 -0.118 0.000 0.959 179 F CB 1.113 40.016 39.000 -0.163 0.000 1.305 179 F HN 0.460 8.760 8.300 -0.000 0.000 0.443 180 C N 3.260 122.672 119.300 0.187 0.000 2.789 180 C HA 0.821 5.282 4.460 0.001 0.000 0.367 180 C C -1.644 173.547 174.990 0.336 0.000 1.062 180 C CA -0.368 58.710 59.018 0.100 0.000 1.297 180 C CB 0.212 27.877 27.740 -0.126 0.000 1.794 180 C HN 0.834 9.064 8.230 -0.000 0.000 0.474 181 V N 6.226 126.350 119.914 0.350 0.000 2.531 181 V HA 0.442 4.563 4.120 0.001 0.000 0.301 181 V C 0.088 176.299 176.094 0.196 0.000 1.034 181 V CA -0.668 61.815 62.300 0.306 0.000 0.865 181 V CB 1.790 33.746 31.823 0.222 0.000 0.995 181 V HN 0.814 9.004 8.190 -0.000 0.000 0.424 182 K N 3.346 123.772 120.400 0.044 0.000 2.412 182 K HA 0.386 4.707 4.320 0.001 0.000 0.281 182 K C -0.940 175.507 176.600 -0.256 0.000 1.027 182 K CA -0.120 55.877 56.287 -0.482 0.000 0.989 182 K CB 0.920 33.201 32.500 -0.364 0.000 0.935 182 K HN 0.499 8.749 8.250 -0.000 0.000 0.475 183 V N 7.505 127.242 119.914 -0.295 0.000 2.284 183 V HA 0.028 4.149 4.120 0.001 0.000 0.274 183 V C 0.954 176.968 176.094 -0.133 0.000 1.023 183 V CA -0.577 61.635 62.300 -0.145 0.000 0.808 183 V CB 0.836 32.606 31.823 -0.088 0.000 1.035 183 V HN 0.860 9.050 8.190 -0.000 0.000 0.445 184 L N 5.170 126.334 121.223 -0.098 0.000 1.990 184 L HA 0.019 4.359 4.340 0.001 0.000 0.213 184 L C 1.434 178.308 176.870 0.006 0.000 1.072 184 L CA 2.575 57.398 54.840 -0.030 0.000 0.755 184 L CB 0.013 42.068 42.059 -0.006 0.000 0.889 184 L HN 0.681 8.911 8.230 -0.000 0.000 0.432 185 A N -0.722 122.026 122.820 -0.119 0.000 2.978 185 A HA 0.514 4.835 4.320 0.001 0.000 0.341 185 A C -1.869 175.418 177.584 -0.495 0.000 1.105 185 A CA -0.849 50.972 52.037 -0.360 0.000 0.819 185 A CB -0.083 18.575 19.000 -0.570 0.000 1.080 185 A HN 0.320 8.470 8.150 -0.000 0.000 0.476 186 P HA -0.166 4.254 4.420 -0.000 0.000 0.230 186 P C 0.834 177.971 177.300 -0.272 0.000 1.158 186 P CA 1.019 63.983 63.100 -0.227 0.000 0.769 186 P CB -0.233 31.414 31.700 -0.089 0.000 0.807 187 Y N -2.622 117.462 120.300 -0.359 0.000 2.516 187 Y HA 0.232 4.782 4.550 0.001 0.000 0.291 187 Y C 1.168 176.991 175.900 -0.129 0.000 1.131 187 Y CA -0.502 57.411 58.100 -0.311 0.000 1.281 187 Y CB -1.105 37.065 38.460 -0.482 0.000 1.013 187 Y HN -0.255 8.025 8.280 -0.000 0.000 0.554 188 M N 3.835 123.122 119.600 -0.522 0.000 2.219 188 M HA 0.099 4.579 4.480 0.001 0.000 0.353 188 M C -1.353 174.867 176.300 -0.133 0.000 1.304 188 M CA -2.730 52.406 55.300 -0.274 0.000 1.115 188 M CB 0.497 32.885 32.600 -0.354 0.000 1.664 188 M HN 0.054 8.344 8.290 -0.000 0.000 0.459 189 P HA -0.212 4.208 4.420 -0.000 0.000 0.216 189 P C 0.500 177.771 177.300 -0.048 0.000 1.153 189 P CA 1.654 64.734 63.100 -0.033 0.000 0.858 189 P CB 0.176 31.873 31.700 -0.006 0.000 0.789 190 D N -0.490 119.875 120.400 -0.059 0.000 2.178 190 D HA -0.081 4.560 4.640 0.001 0.000 0.202 190 D C 2.127 178.381 176.300 -0.076 0.000 0.974 190 D CA 0.703 54.668 54.000 -0.058 0.000 0.841 190 D CB -0.810 39.956 40.800 -0.055 0.000 0.953 190 D HN 0.055 8.425 8.370 -0.000 0.000 0.478 191 V N 0.923 120.773 119.914 -0.107 0.000 2.358 191 V HA -0.179 3.942 4.120 0.001 0.000 0.246 191 V C 2.616 178.643 176.094 -0.110 0.000 1.047 191 V CA 0.973 63.198 62.300 -0.125 0.000 1.035 191 V CB -0.445 31.271 31.823 -0.179 0.000 0.658 191 V HN 0.187 8.377 8.190 -0.000 0.000 0.452 192 L N -0.232 120.935 121.223 -0.094 0.000 2.042 192 L HA -0.251 4.089 4.340 0.001 0.000 0.210 192 L C 2.590 179.427 176.870 -0.054 0.000 1.076 192 L CA 1.912 56.713 54.840 -0.064 0.000 0.749 192 L CB -0.597 41.440 42.059 -0.037 0.000 0.893 192 L HN 0.390 8.620 8.230 -0.000 0.000 0.432 193 E N -0.264 119.906 120.200 -0.049 0.000 2.106 193 E HA -0.254 4.097 4.350 0.001 0.000 0.192 193 E C 2.082 178.650 176.600 -0.054 0.000 0.984 193 E CA 0.974 57.350 56.400 -0.040 0.000 0.806 193 E CB 0.037 29.718 29.700 -0.032 0.000 0.750 193 E HN 0.168 8.528 8.360 -0.000 0.000 0.458 194 K N 1.161 121.519 120.400 -0.070 0.000 2.097 194 K HA -0.098 4.223 4.320 0.001 0.000 0.206 194 K C 1.804 178.331 176.600 -0.122 0.000 1.049 194 K CA 0.999 57.237 56.287 -0.082 0.000 0.933 194 K CB -0.207 32.242 32.500 -0.085 0.000 0.717 194 K HN 0.072 8.322 8.250 -0.000 0.000 0.442 195 L N 0.364 121.497 121.223 -0.149 0.000 2.093 195 L HA -0.144 4.197 4.340 0.001 0.000 0.208 195 L C 2.222 179.011 176.870 -0.135 0.000 1.085 195 L CA 1.474 56.181 54.840 -0.221 0.000 0.755 195 L CB -0.377 41.574 42.059 -0.180 0.000 0.904 195 L HN 0.289 8.519 8.230 -0.000 0.000 0.435 196 E N 0.121 120.282 120.200 -0.066 0.000 2.106 196 E HA -0.243 4.108 4.350 0.001 0.000 0.192 196 E C 2.231 178.817 176.600 -0.023 0.000 0.984 196 E CA 1.033 57.420 56.400 -0.021 0.000 0.806 196 E CB -0.086 29.609 29.700 -0.008 0.000 0.750 196 E HN 0.424 8.784 8.360 -0.000 0.000 0.458 197 L N 0.807 122.004 121.223 -0.043 0.000 2.027 197 L HA -0.157 4.183 4.340 0.001 0.000 0.206 197 L C 2.181 179.023 176.870 -0.047 0.000 1.074 197 L CA 1.053 55.866 54.840 -0.044 0.000 0.745 197 L CB -0.046 41.987 42.059 -0.044 0.000 0.898 197 L HN 0.129 8.359 8.230 -0.000 0.000 0.433 198 L N -0.367 120.828 121.223 -0.046 0.000 2.083 198 L HA -0.251 4.089 4.340 0.001 0.000 0.209 198 L C 2.705 179.663 176.870 0.146 0.000 1.083 198 L CA 1.611 56.475 54.840 0.040 0.000 0.752 198 L CB -0.598 41.401 42.059 -0.100 0.000 0.899 198 L HN 0.474 8.704 8.230 -0.000 0.000 0.433 199 Q N 0.376 120.238 119.800 0.104 0.000 2.124 199 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 199 Q C 2.305 178.388 176.000 0.138 0.000 0.977 199 Q CA 1.512 57.448 55.803 0.222 0.000 0.850 199 Q CB 0.096 28.936 28.738 0.170 0.000 0.901 199 Q HN 0.402 8.672 8.270 -0.000 0.000 0.429 200 R N -0.511 120.016 120.500 0.044 0.000 2.148 200 R HA -0.050 4.291 4.340 0.001 0.000 0.223 200 R C 2.368 178.629 176.300 -0.064 0.000 1.088 200 R CA 1.229 57.330 56.100 0.001 0.000 0.985 200 R CB -0.062 30.227 30.300 -0.020 0.000 0.880 200 R HN 0.169 8.439 8.270 -0.000 0.000 0.451 201 R N -0.479 119.920 120.500 -0.167 0.000 2.090 201 R HA 0.032 4.372 4.340 0.001 0.000 0.219 201 R C 0.753 176.739 176.300 -0.523 0.000 1.100 201 R CA 1.096 56.921 56.100 -0.458 0.000 0.991 201 R CB 0.284 30.107 30.300 -0.796 0.000 0.893 201 R HN 0.151 8.421 8.270 -0.000 0.000 0.443 202 F N -0.438 119.600 119.950 0.146 0.000 2.706 202 F HA 0.391 4.918 4.527 0.001 0.000 0.313 202 F C 0.983 176.964 175.800 0.302 0.000 1.096 202 F CA 0.077 58.199 58.000 0.204 0.000 1.219 202 F CB 1.353 40.445 39.000 0.154 0.000 1.051 202 F HN 0.286 8.586 8.300 -0.000 0.000 0.568 203 G N 0.731 109.771 108.800 0.400 0.000 2.632 203 G HA2 0.269 4.230 3.960 0.001 0.000 0.224 203 G HA3 0.269 4.230 3.960 0.001 0.000 0.224 203 G C 0.258 175.446 174.900 0.480 0.000 1.341 203 G CA -0.404 44.902 45.100 0.344 0.000 0.880 203 G HN 1.241 9.531 8.290 -0.000 0.000 0.566 204 G N -2.768 106.215 108.800 0.305 0.000 2.725 204 G HA2 0.462 4.423 3.960 0.001 0.000 0.220 204 G HA3 0.462 4.423 3.960 0.001 0.000 0.220 204 G C 0.352 175.469 174.900 0.362 0.000 1.357 204 G CA 1.084 46.338 45.100 0.256 0.000 0.866 204 G HN 2.909 11.199 8.290 -0.000 0.000 0.548 205 T N -2.532 112.239 114.554 0.360 0.000 2.658 205 T HA 0.676 5.027 4.350 0.001 0.000 0.305 205 T C -0.772 174.134 174.700 0.343 0.000 1.551 205 T CA 0.724 63.030 62.100 0.344 0.000 0.985 205 T CB 0.943 69.940 68.868 0.216 0.000 1.731 205 T HN 2.181 10.421 8.240 -0.000 0.000 0.486 206 V N 1.369 121.427 119.914 0.240 0.000 2.483 206 V HA 0.809 4.929 4.120 0.001 0.000 0.295 206 V C -0.699 175.469 176.094 0.124 0.000 1.035 206 V CA -0.762 61.655 62.300 0.196 0.000 0.896 206 V CB 1.224 33.139 31.823 0.154 0.000 0.986 206 V HN 0.696 8.886 8.190 -0.000 0.000 0.447 207 I N 3.397 124.040 120.570 0.122 0.000 2.545 207 I HA 0.572 4.742 4.170 0.001 0.000 0.292 207 I C -0.150 176.129 176.117 0.270 0.000 1.040 207 I CA -0.715 60.654 61.300 0.114 0.000 1.068 207 I CB 2.055 40.005 38.000 -0.083 0.000 1.251 207 I HN 0.804 9.014 8.210 -0.000 0.000 0.424 208 R N 4.790 125.390 120.500 0.167 0.000 2.265 208 R HA 0.233 4.573 4.340 0.001 0.000 0.314 208 R C -0.297 175.964 176.300 -0.066 0.000 1.053 208 R CA -0.076 56.083 56.100 0.099 0.000 0.931 208 R CB 0.313 30.608 30.300 -0.009 0.000 1.024 208 R HN 0.594 8.864 8.270 -0.000 0.000 0.457 209 N N 5.606 124.228 118.700 -0.130 0.000 2.444 209 N HA 0.148 4.888 4.740 0.001 0.000 0.271 209 N C -1.835 173.275 175.510 -0.667 0.000 1.069 209 N CA -1.804 50.831 53.050 -0.692 0.000 0.965 209 N CB 1.484 39.634 38.487 -0.562 0.000 1.092 209 N HN 0.473 8.853 8.380 -0.000 0.000 0.476 210 P HA -0.064 4.356 4.420 -0.000 0.000 0.228 210 P C 1.118 178.160 177.300 -0.431 0.000 1.151 210 P CA 0.805 63.545 63.100 -0.600 0.000 0.770 210 P CB 0.437 31.768 31.700 -0.613 0.000 0.786 211 L N -1.054 119.893 121.223 -0.459 0.000 2.558 211 L HA 0.083 4.423 4.340 0.001 0.000 0.225 211 L C 1.068 177.836 176.870 -0.171 0.000 1.128 211 L CA 0.142 54.818 54.840 -0.273 0.000 0.868 211 L CB -0.376 41.535 42.059 -0.247 0.000 1.006 211 L HN -0.155 8.075 8.230 -0.000 0.000 0.454 212 S N 0.417 116.020 115.700 -0.161 0.000 2.564 212 S HA 0.249 4.720 4.470 0.001 0.000 0.278 212 S C 0.435 174.978 174.600 -0.095 0.000 1.333 212 S CA -0.456 57.706 58.200 -0.063 0.000 1.048 212 S CB 0.663 63.861 63.200 -0.003 0.000 0.900 212 S HN 0.207 8.517 8.310 -0.000 0.000 0.505 213 R N 1.841 122.304 120.500 -0.062 0.000 2.615 213 R HA 0.181 4.522 4.340 0.001 0.000 0.270 213 R C 0.864 177.092 176.300 -0.121 0.000 1.081 213 R CA -0.598 55.438 56.100 -0.107 0.000 1.154 213 R CB 0.227 30.479 30.300 -0.079 0.000 1.063 213 R HN 0.578 8.848 8.270 -0.000 0.000 0.519 214 N N 0.450 119.000 118.700 -0.250 0.000 2.453 214 N HA -0.112 4.628 4.740 0.001 0.000 0.183 214 N C 1.153 176.681 175.510 0.029 0.000 1.041 214 N CA 1.135 54.000 53.050 -0.307 0.000 0.900 214 N CB -0.012 37.949 38.487 -0.878 0.000 0.961 214 N HN 0.526 8.906 8.380 -0.000 0.000 0.443 215 S N -1.270 114.471 115.700 0.068 0.000 2.607 215 S HA 0.012 4.483 4.470 0.001 0.000 0.224 215 S C 0.909 175.815 174.600 0.510 0.000 0.969 215 S CA -0.012 58.403 58.200 0.357 0.000 0.927 215 S CB 0.054 63.389 63.200 0.225 0.000 0.772 215 S HN 0.163 8.473 8.310 -0.000 0.000 0.533 216 T N -0.140 114.660 114.554 0.410 0.000 2.900 216 T HA 0.387 4.738 4.350 0.001 0.000 0.295 216 T C -0.485 174.334 174.700 0.198 0.000 1.044 216 T CA -0.721 61.625 62.100 0.410 0.000 0.995 216 T CB 1.624 70.639 68.868 0.246 0.000 1.072 216 T HN 0.353 8.593 8.240 -0.000 0.000 0.473 217 H N 1.933 121.033 119.070 0.050 0.000 2.517 217 H HA 0.303 4.859 4.556 0.001 0.000 0.282 217 H C 0.836 176.148 175.328 -0.027 0.000 1.023 217 H CA -0.271 55.629 56.048 -0.247 0.000 1.169 217 H CB 0.339 29.874 29.762 -0.379 0.000 1.454 217 H HN 0.723 9.003 8.280 -0.000 0.000 0.556 218 E N 1.096 121.403 120.200 0.178 0.000 2.481 218 E HA -0.022 4.329 4.350 0.001 0.000 0.263 218 E C -0.624 176.045 176.600 0.116 0.000 0.992 218 E CA 0.457 56.918 56.400 0.101 0.000 0.938 218 E CB 0.868 30.609 29.700 0.068 0.000 0.933 218 E HN 0.364 8.724 8.360 -0.000 0.000 0.453 219 M N 1.941 121.571 119.600 0.051 0.000 2.664 219 M HA 0.381 4.861 4.480 0.001 0.000 0.279 219 M C -1.584 174.738 176.300 0.038 0.000 1.275 219 M CA -0.932 54.469 55.300 0.168 0.000 0.829 219 M CB 2.192 34.884 32.600 0.154 0.000 1.727 219 M HN 0.491 8.781 8.290 -0.000 0.000 0.459 220 Y N 0.045 120.447 120.300 0.170 0.000 2.364 220 Y HA 0.389 4.939 4.550 0.001 0.000 0.340 220 Y C -0.862 175.084 175.900 0.078 0.000 0.975 220 Y CA -0.722 57.432 58.100 0.090 0.000 1.089 220 Y CB 1.143 39.537 38.460 -0.110 0.000 1.192 220 Y HN 0.412 8.692 8.280 -0.000 0.000 0.454 221 Y N 5.078 125.445 120.300 0.113 0.000 2.486 221 Y HA 0.504 5.054 4.550 0.001 0.000 0.348 221 Y C -0.522 175.534 175.900 0.260 0.000 1.000 221 Y CA -1.320 56.878 58.100 0.164 0.000 1.253 221 Y CB -0.030 38.509 38.460 0.131 0.000 1.140 221 Y HN 0.364 8.644 8.280 -0.000 0.000 0.526 222 V N 2.728 122.622 119.914 -0.034 0.000 2.960 222 V HA 0.561 4.682 4.120 0.001 0.000 0.315 222 V C 0.473 176.237 176.094 -0.551 0.000 1.087 222 V CA -0.122 62.003 62.300 -0.292 0.000 0.982 222 V CB 1.535 33.184 31.823 -0.291 0.000 1.039 222 V HN 0.730 8.920 8.190 -0.000 0.000 0.437 223 S N 1.190 116.261 115.700 -1.048 0.000 2.501 223 S HA 0.119 4.590 4.470 0.001 0.000 0.220 223 S C 1.586 175.954 174.600 -0.387 0.000 0.997 223 S CA 0.696 58.255 58.200 -1.068 0.000 0.919 223 S CB -0.136 62.198 63.200 -1.444 0.000 0.778 223 S HN 1.509 9.819 8.310 -0.000 0.000 0.523 224 G N 0.605 109.277 108.800 -0.214 0.000 2.920 224 G HA2 0.559 4.519 3.960 0.001 0.000 0.208 224 G HA3 0.559 4.519 3.960 0.001 0.000 0.208 224 G C 0.199 175.121 174.900 0.036 0.000 1.159 224 G CA 0.329 45.388 45.100 -0.068 0.000 0.784 224 G HN 0.862 9.152 8.290 -0.000 0.000 0.535 225 A N -0.394 122.483 122.820 0.095 0.000 2.609 225 A HA 0.892 5.213 4.320 0.001 0.000 0.291 225 A C -1.321 176.342 177.584 0.133 0.000 1.096 225 A CA -0.965 51.164 52.037 0.153 0.000 0.684 225 A CB 1.478 20.680 19.000 0.338 0.000 1.282 225 A HN 0.124 8.274 8.150 -0.000 0.000 0.412 226 R N 0.292 120.872 120.500 0.133 0.000 2.514 226 R HA 0.739 5.080 4.340 0.001 0.000 0.296 226 R C -0.596 175.784 176.300 0.132 0.000 1.012 226 R CA 0.107 56.287 56.100 0.134 0.000 0.897 226 R CB 1.856 32.220 30.300 0.107 0.000 1.184 226 R HN 1.141 9.411 8.270 -0.000 0.000 0.440 227 S N 0.589 116.377 115.700 0.146 0.000 2.656 227 S HA 0.437 4.908 4.470 0.001 0.000 0.273 227 S C -1.090 173.597 174.600 0.146 0.000 1.168 227 S CA -1.107 57.179 58.200 0.143 0.000 0.817 227 S CB 1.393 64.698 63.200 0.175 0.000 1.146 227 S HN 0.453 8.763 8.310 -0.000 0.000 0.475 228 N N 1.036 119.827 118.700 0.151 0.000 2.427 228 N HA 0.098 4.838 4.740 0.001 0.000 0.269 228 N C 1.188 176.815 175.510 0.195 0.000 1.235 228 N CA 0.124 53.268 53.050 0.157 0.000 0.934 228 N CB 0.633 39.210 38.487 0.149 0.000 1.121 228 N HN 0.504 8.884 8.380 -0.000 0.000 0.480 229 V N 3.439 123.439 119.914 0.143 0.000 2.255 229 V HA -0.288 3.833 4.120 0.001 0.000 0.247 229 V C 2.501 178.661 176.094 0.111 0.000 1.051 229 V CA 2.586 64.958 62.300 0.119 0.000 1.018 229 V CB -1.098 30.770 31.823 0.076 0.000 0.641 229 V HN 0.878 9.068 8.190 -0.000 0.000 0.445 230 T N -1.575 113.045 114.554 0.110 0.000 2.788 230 T HA -0.258 4.093 4.350 0.001 0.000 0.268 230 T C 1.820 176.595 174.700 0.125 0.000 1.044 230 T CA 1.858 64.016 62.100 0.097 0.000 1.139 230 T CB -0.645 68.278 68.868 0.091 0.000 0.867 230 T HN 0.374 8.614 8.240 -0.000 0.000 0.454 231 F N 2.109 122.088 119.950 0.047 0.000 2.075 231 F HA -0.027 4.501 4.527 0.001 0.000 0.297 231 F C 2.735 178.569 175.800 0.058 0.000 1.113 231 F CA 1.901 59.931 58.000 0.050 0.000 1.218 231 F CB -0.944 38.085 39.000 0.048 0.000 0.984 231 F HN 0.184 8.484 8.300 -0.000 0.000 0.472 232 T N -0.556 114.018 114.554 0.033 0.000 2.867 232 T HA -0.090 4.261 4.350 0.001 0.000 0.268 232 T C 2.081 176.741 174.700 -0.067 0.000 1.057 232 T CA 1.325 63.384 62.100 -0.067 0.000 1.136 232 T CB -0.500 68.439 68.868 0.118 0.000 0.874 232 T HN 0.105 8.345 8.240 -0.000 0.000 0.466 233 V N 2.377 122.290 119.914 -0.001 0.000 2.358 233 V HA -0.128 3.993 4.120 0.001 0.000 0.246 233 V C 2.520 178.632 176.094 0.030 0.000 1.047 233 V CA 1.619 63.946 62.300 0.045 0.000 1.035 233 V CB -0.482 31.363 31.823 0.036 0.000 0.658 233 V HN 0.536 8.726 8.190 -0.000 0.000 0.452 234 N N -0.321 118.348 118.700 -0.052 0.000 2.309 234 N HA -0.136 4.605 4.740 0.001 0.000 0.182 234 N C 1.902 177.316 175.510 -0.159 0.000 1.018 234 N CA 0.846 53.853 53.050 -0.072 0.000 0.876 234 N CB -0.147 38.298 38.487 -0.069 0.000 0.972 234 N HN 0.505 8.885 8.380 -0.000 0.000 0.434 235 Q N 0.321 119.942 119.800 -0.298 0.000 2.084 235 Q HA -0.039 4.302 4.340 0.001 0.000 0.202 235 Q C 1.755 177.654 176.000 -0.169 0.000 0.978 235 Q CA 1.171 56.795 55.803 -0.297 0.000 0.844 235 Q CB -0.647 27.863 28.738 -0.380 0.000 0.898 235 Q HN 0.342 8.612 8.270 -0.000 0.000 0.426 236 T N 0.895 115.367 114.554 -0.136 0.000 2.821 236 T HA -0.061 4.289 4.350 0.001 0.000 0.267 236 T C 2.125 176.651 174.700 -0.291 0.000 1.046 236 T CA 1.255 63.245 62.100 -0.182 0.000 1.139 236 T CB -0.044 68.737 68.868 -0.144 0.000 0.871 236 T HN 0.210 8.450 8.240 -0.000 0.000 0.454 237 S N 1.059 116.663 115.700 -0.160 0.000 2.368 237 S HA -0.059 4.412 4.470 0.001 0.000 0.225 237 S C 2.154 176.680 174.600 -0.122 0.000 1.030 237 S CA 0.929 59.043 58.200 -0.144 0.000 0.999 237 S CB -0.173 63.080 63.200 0.087 0.000 0.844 237 S HN 0.438 8.748 8.310 -0.000 0.000 0.459 238 R N 0.572 121.021 120.500 -0.084 0.000 2.096 238 R HA -0.006 4.335 4.340 0.001 0.000 0.235 238 R C 2.442 178.712 176.300 -0.051 0.000 1.127 238 R CA 1.156 57.226 56.100 -0.049 0.000 0.968 238 R CB -0.512 29.758 30.300 -0.051 0.000 0.861 238 R HN 0.376 8.646 8.270 -0.000 0.000 0.440 239 L N 0.926 122.094 121.223 -0.092 0.000 2.056 239 L HA -0.151 4.190 4.340 0.001 0.000 0.207 239 L C 2.013 178.850 176.870 -0.055 0.000 1.078 239 L CA 1.388 56.183 54.840 -0.077 0.000 0.749 239 L CB -0.141 41.853 42.059 -0.107 0.000 0.901 239 L HN 0.161 8.391 8.230 -0.000 0.000 0.433 240 L N -0.853 120.289 121.223 -0.135 0.000 2.131 240 L HA -0.215 4.125 4.340 0.001 0.000 0.210 240 L C 2.637 179.644 176.870 0.229 0.000 1.092 240 L CA 0.940 55.761 54.840 -0.030 0.000 0.759 240 L CB -0.477 41.302 42.059 -0.466 0.000 0.903 240 L HN 0.378 8.608 8.230 -0.000 0.000 0.435 241 M N -0.835 118.845 119.600 0.133 0.000 2.200 241 M HA -0.159 4.321 4.480 0.001 0.000 0.265 241 M C 2.363 178.725 176.300 0.104 0.000 1.066 241 M CA 1.451 56.845 55.300 0.158 0.000 1.127 241 M CB -0.923 31.742 32.600 0.108 0.000 1.379 241 M HN 0.187 8.477 8.290 -0.000 0.000 0.420 242 R N 0.360 120.906 120.500 0.077 0.000 2.081 242 R HA -0.102 4.239 4.340 0.001 0.000 0.235 242 R C 2.181 178.536 176.300 0.091 0.000 1.131 242 R CA 1.450 57.585 56.100 0.060 0.000 0.960 242 R CB 0.006 30.326 30.300 0.034 0.000 0.856 242 R HN 0.278 8.548 8.270 -0.000 0.000 0.436 243 R N -0.400 120.189 120.500 0.148 0.000 2.237 243 R HA -0.066 4.275 4.340 0.001 0.000 0.219 243 R C 2.095 178.601 176.300 0.342 0.000 1.080 243 R CA 1.123 57.352 56.100 0.214 0.000 0.995 243 R CB -0.105 30.308 30.300 0.188 0.000 0.875 243 R HN 0.326 8.596 8.270 -0.000 0.000 0.462 244 M N 0.034 119.774 119.600 0.233 0.000 2.447 244 M HA -0.033 4.447 4.480 0.001 0.000 0.264 244 M C 1.716 177.988 176.300 -0.047 0.000 1.095 244 M CA 1.129 56.364 55.300 -0.108 0.000 1.125 244 M CB 0.243 32.599 32.600 -0.407 0.000 1.389 244 M HN -0.002 8.288 8.290 -0.000 0.000 0.459 245 R N 0.719 121.226 120.500 0.012 0.000 2.090 245 R HA -0.051 4.290 4.340 0.001 0.000 0.228 245 R C 0.606 176.917 176.300 0.018 0.000 1.110 245 R CA 0.986 57.089 56.100 0.005 0.000 0.973 245 R CB 0.006 30.314 30.300 0.014 0.000 0.869 245 R HN 0.389 8.659 8.270 -0.000 0.000 0.440 246 R N 1.050 121.576 120.500 0.043 0.000 2.607 246 R HA 0.325 4.666 4.340 0.001 0.000 0.278 246 R C -2.900 173.440 176.300 0.066 0.000 1.637 246 R CA -1.575 54.550 56.100 0.041 0.000 1.325 246 R CB 1.336 31.654 30.300 0.030 0.000 1.211 246 R HN -0.146 8.124 8.270 -0.000 0.000 0.565 247 P HA 0.124 4.544 4.420 -0.000 0.000 0.292 247 P C 0.273 177.602 177.300 0.048 0.000 1.326 247 P CA -0.298 62.862 63.100 0.100 0.000 0.787 247 P CB 1.957 33.746 31.700 0.149 0.000 0.903 248 T N -1.265 113.305 114.554 0.027 0.000 3.037 248 T HA 0.228 4.579 4.350 0.001 0.000 0.252 248 T C 1.423 176.119 174.700 -0.006 0.000 1.073 248 T CA 0.792 62.898 62.100 0.008 0.000 1.091 248 T CB -0.670 68.199 68.868 0.002 0.000 0.935 248 T HN 0.513 8.753 8.240 -0.000 0.000 0.488 249 G N 1.613 110.402 108.800 -0.019 0.000 2.168 249 G HA2 -0.304 3.657 3.960 0.001 0.000 0.263 249 G HA3 -0.304 3.657 3.960 0.001 0.000 0.263 249 G C 0.069 174.943 174.900 -0.044 0.000 0.977 249 G CA 0.329 45.405 45.100 -0.041 0.000 0.659 249 G HN 0.855 9.145 8.290 -0.000 0.000 0.533 250 K N 0.761 121.139 120.400 -0.037 0.000 2.378 250 K HA 0.542 4.863 4.320 0.001 0.000 0.288 250 K C 0.183 176.754 176.600 -0.049 0.000 1.057 250 K CA -0.039 56.227 56.287 -0.035 0.000 0.971 250 K CB 0.875 33.360 32.500 -0.026 0.000 0.975 250 K HN 0.568 8.818 8.250 -0.000 0.000 0.475 251 V N 3.963 123.849 119.914 -0.048 0.000 2.769 251 V HA 0.557 4.677 4.120 0.001 0.000 0.312 251 V C -0.942 175.125 176.094 -0.045 0.000 1.058 251 V CA -0.477 61.789 62.300 -0.056 0.000 0.952 251 V CB 2.314 34.102 31.823 -0.060 0.000 1.019 251 V HN 0.891 9.081 8.190 -0.000 0.000 0.445 252 T N 7.264 121.789 114.554 -0.050 0.000 2.788 252 T HA 0.499 4.850 4.350 0.001 0.000 0.296 252 T C -0.324 174.353 174.700 -0.040 0.000 1.009 252 T CA -0.131 61.946 62.100 -0.039 0.000 0.949 252 T CB 0.527 69.372 68.868 -0.038 0.000 0.946 252 T HN 0.500 8.740 8.240 -0.000 0.000 0.453 253 L N 3.275 124.479 121.223 -0.032 0.000 2.349 253 L HA 0.583 4.924 4.340 0.001 0.000 0.275 253 L C 0.413 177.269 176.870 -0.023 0.000 1.115 253 L CA -0.412 54.411 54.840 -0.029 0.000 0.820 253 L CB 0.886 42.930 42.059 -0.025 0.000 1.135 253 L HN 0.526 8.756 8.230 -0.000 0.000 0.445 254 E N 2.120 122.306 120.200 -0.023 0.000 2.336 254 E HA 0.615 4.965 4.350 0.001 0.000 0.267 254 E C -1.017 175.576 176.600 -0.011 0.000 0.906 254 E CA -0.734 55.658 56.400 -0.013 0.000 0.781 254 E CB 1.929 31.622 29.700 -0.011 0.000 1.261 254 E HN 0.552 8.912 8.360 -0.000 0.000 0.436 255 A N 2.849 125.667 122.820 -0.004 0.000 2.488 255 A HA 0.250 4.570 4.320 0.001 0.000 0.249 255 A C 0.049 177.634 177.584 0.000 0.000 1.083 255 A CA -0.118 51.917 52.037 -0.004 0.000 0.768 255 A CB 0.001 19.002 19.000 0.002 0.000 1.017 255 A HN 0.668 8.818 8.150 -0.000 0.000 0.496 256 D N 1.309 121.706 120.400 -0.005 0.000 2.371 256 D HA 0.271 4.911 4.640 0.001 0.000 0.242 256 D C 0.060 176.371 176.300 0.019 0.000 1.218 256 D CA -0.093 53.908 54.000 0.002 0.000 0.945 256 D CB 0.787 41.581 40.800 -0.009 0.000 1.137 256 D HN 0.236 8.606 8.370 -0.000 0.000 0.464 257 V N 2.458 122.394 119.914 0.036 0.000 2.555 257 V HA 0.173 4.294 4.120 0.001 0.000 0.286 257 V C 0.204 176.339 176.094 0.069 0.000 1.044 257 V CA -0.243 62.098 62.300 0.069 0.000 1.026 257 V CB 0.816 32.703 31.823 0.107 0.000 0.981 257 V HN 0.341 8.531 8.190 -0.000 0.000 0.480 258 I N 6.246 126.860 120.570 0.073 0.000 2.411 258 I HA 0.425 4.595 4.170 0.001 0.000 0.284 258 I C -0.121 176.043 176.117 0.080 0.000 1.012 258 I CA -0.247 61.091 61.300 0.063 0.000 1.119 258 I CB 1.443 39.470 38.000 0.044 0.000 1.261 258 I HN 0.446 8.656 8.210 -0.000 0.000 0.448 259 L N 7.591 128.866 121.223 0.087 0.000 2.399 259 L HA 0.543 4.884 4.340 0.001 0.000 0.265 259 L C -1.796 175.113 176.870 0.066 0.000 1.089 259 L CA -1.593 53.298 54.840 0.085 0.000 0.802 259 L CB 0.929 43.050 42.059 0.104 0.000 1.180 259 L HN 0.343 8.573 8.230 -0.000 0.000 0.454 260 P HA 0.241 4.661 4.420 -0.000 0.000 0.275 260 P C -0.946 176.396 177.300 0.070 0.000 1.270 260 P CA -0.176 62.956 63.100 0.052 0.000 0.791 260 P CB 0.825 32.549 31.700 0.039 0.000 1.089 261 I N -5.430 115.184 120.570 0.074 0.000 3.108 261 I HA 0.873 5.044 4.170 0.001 0.000 0.312 261 I C 0.048 176.244 176.117 0.131 0.000 1.095 261 I CA -0.912 60.450 61.300 0.103 0.000 1.000 261 I CB 1.711 39.754 38.000 0.073 0.000 1.229 261 I HN 0.703 8.913 8.210 -0.000 0.000 0.454 262 G N 1.679 110.607 108.800 0.213 0.000 2.525 262 G HA2 0.106 4.066 3.960 0.001 0.000 0.685 262 G HA3 0.106 4.066 3.960 0.001 0.000 0.685 262 G C -0.439 174.631 174.900 0.284 0.000 1.290 262 G CA -0.404 44.846 45.100 0.249 0.000 0.915 262 G HN 1.256 9.546 8.290 -0.000 0.000 0.548 263 T N -1.648 113.019 114.554 0.189 0.000 2.918 263 T HA 0.723 5.074 4.350 0.001 0.000 0.283 263 T C 0.368 175.011 174.700 -0.094 0.000 1.001 263 T CA -0.425 61.622 62.100 -0.088 0.000 1.041 263 T CB 1.556 70.360 68.868 -0.106 0.000 1.028 263 T HN 0.704 8.944 8.240 -0.000 0.000 0.511 264 R N 1.668 122.060 120.500 -0.180 0.000 2.215 264 R HA 0.544 4.885 4.340 0.001 0.000 0.336 264 R C 0.004 176.229 176.300 -0.125 0.000 0.996 264 R CA -0.498 55.530 56.100 -0.120 0.000 0.847 264 R CB 1.248 31.472 30.300 -0.127 0.000 1.127 264 R HN 0.949 9.219 8.270 -0.000 0.000 0.465 265 S N 0.945 116.597 115.700 -0.080 0.000 2.745 265 S HA 0.699 5.169 4.470 0.001 0.000 0.306 265 S C -0.043 174.528 174.600 -0.049 0.000 1.137 265 S CA -0.742 57.417 58.200 -0.070 0.000 0.900 265 S CB 1.468 64.637 63.200 -0.052 0.000 1.176 265 S HN 0.270 8.580 8.310 -0.000 0.000 0.520 266 V N 0.000 119.889 119.914 -0.042 0.000 2.409 266 V HA 0.000 4.121 4.120 0.001 0.000 0.244 266 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 266 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 266 V HN 0.000 8.190 8.190 -0.000 0.000 0.556