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 3c6z_1_A DATA FIRST_RESID 2 DATA SEQUENCE AFAHFVLIHT ICHGAWIWHK LKPLLEALGH KVTALDLAAS GVDPRQIEEI DATA SEQUENCE GSFDEYSEPL LTFLEALPPG EKVILVGESC GGLNIAIAAD KYCEKIAAAV DATA SEQUENCE FHNSVLPDTE HCPSYVVDKL MEVFPDWKDT TYFTYTKDGK EITGLKLGFT DATA SEQUENCE LLRENLYTLC GPEEYELAKM LTRKGSLFQN ILAKRPFFTK EGYGSIKKIY DATA SEQUENCE VWTDQDEIFL PEFQLWQIEN YKPDKVYKVE GGDHKLQLTK TKEIAEILQE DATA SEQUENCE VADTYN 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 2 A HA 0.000 4.078 4.320 -0.403 0.000 0.244 2 A C 0.000 177.550 177.584 -0.056 0.000 1.274 2 A CA 0.000 51.910 52.037 -0.212 0.000 0.836 2 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 3 F N -1.658 118.349 119.950 0.096 0.000 2.458 3 F HA 0.132 4.823 4.527 0.273 0.000 0.330 3 F C -0.556 175.346 175.800 0.170 0.000 1.082 3 F CA -2.069 56.031 58.000 0.165 0.000 0.995 3 F CB 1.908 40.923 39.000 0.026 0.000 1.170 3 F HN -0.086 8.103 8.300 -0.185 0.000 0.478 4 A N 0.600 123.670 122.820 0.416 0.000 2.485 4 A HA 0.351 4.672 4.320 0.002 0.000 0.292 4 A C -3.046 174.510 177.584 -0.046 0.000 1.147 4 A CA -1.677 50.334 52.037 -0.044 0.000 0.750 4 A CB 3.263 21.920 19.000 -0.571 0.000 1.331 4 A HN 0.201 8.865 8.150 0.856 0.000 0.419 5 H N 1.184 120.103 119.070 -0.252 0.000 2.623 5 H HA 0.619 5.353 4.556 -0.057 -0.212 0.299 5 H C -1.194 173.951 175.328 -0.305 0.000 1.052 5 H CA -2.965 52.989 56.048 -0.156 0.000 1.231 5 H CB 0.912 30.649 29.762 -0.042 0.000 1.389 5 H HN 0.459 8.695 8.280 -0.073 0.000 0.469 6 F N 7.093 127.133 119.950 0.149 0.000 2.394 6 F HA 0.433 5.083 4.527 -0.116 -0.193 0.340 6 F C -0.990 174.741 175.800 -0.116 0.000 1.105 6 F CA -0.896 57.062 58.000 -0.069 0.000 1.124 6 F CB 1.632 40.529 39.000 -0.171 0.000 1.145 6 F HN 0.564 9.034 8.300 0.284 0.000 0.505 7 V N 2.943 122.807 119.914 -0.083 0.000 2.326 7 V HA 0.500 4.661 4.120 -0.261 -0.197 0.281 7 V C -1.226 174.663 176.094 -0.342 0.000 1.015 7 V CA -1.235 60.917 62.300 -0.246 0.000 0.823 7 V CB 0.417 32.077 31.823 -0.271 0.000 1.009 7 V HN 0.544 8.691 8.190 -0.072 0.000 0.436 8 L N 7.648 128.558 121.223 -0.521 0.000 2.276 8 L HA 0.462 4.379 4.340 -0.958 -0.152 0.286 8 L C -1.051 175.484 176.870 -0.558 0.000 1.061 8 L CA -0.617 53.649 54.840 -0.957 0.000 0.807 8 L CB 0.903 41.900 42.059 -1.770 0.000 1.177 8 L HN 0.597 8.545 8.230 -0.470 0.000 0.429 9 I N 1.100 121.520 120.570 -0.250 0.000 2.420 9 I HA 0.367 4.490 4.170 -0.078 0.000 0.282 9 I C -1.458 174.813 176.117 0.256 0.000 1.019 9 I CA -1.692 59.593 61.300 -0.025 0.000 1.130 9 I CB 1.740 39.666 38.000 -0.125 0.000 1.262 9 I HN 0.383 8.400 8.210 -0.322 0.000 0.454 10 H N 5.506 124.794 119.070 0.365 0.000 2.730 10 H HA 0.031 4.685 4.556 -0.005 -0.101 0.376 10 H C -0.699 174.689 175.328 0.101 0.000 1.299 10 H CA -1.116 55.001 56.048 0.114 0.000 1.447 10 H CB 0.628 30.364 29.762 -0.043 0.000 1.493 10 H HN 0.251 8.637 8.280 0.177 0.000 0.619 11 T N -1.481 113.177 114.554 0.172 0.000 2.810 11 T HA 0.131 4.649 4.350 0.280 0.000 0.277 11 T C -0.084 174.923 174.700 0.512 0.000 0.973 11 T CA -1.467 60.782 62.100 0.248 0.000 0.949 11 T CB 1.485 70.373 68.868 0.033 0.000 1.075 11 T HN -0.071 8.488 8.240 0.018 -0.308 0.537 12 I N -4.391 116.461 120.570 0.469 0.000 2.872 12 I HA -0.167 4.281 4.170 0.463 0.000 0.291 12 I C 0.737 177.138 176.117 0.473 0.000 1.216 12 I CA 1.422 62.971 61.300 0.415 0.000 1.424 12 I CB 0.207 38.348 38.000 0.235 0.000 1.351 12 I HN 0.199 8.669 8.210 0.433 0.000 0.592 13 C N -2.666 116.851 119.300 0.363 0.000 4.784 13 C HA -0.370 4.324 4.460 0.217 -0.104 0.261 13 C C -0.167 174.960 174.990 0.230 0.000 1.492 13 C CA 1.567 60.758 59.018 0.289 0.000 1.622 13 C CB -2.866 25.040 27.740 0.277 0.000 1.855 13 C HN 1.063 9.478 8.230 0.308 0.000 0.662 14 H N -0.535 118.635 119.070 0.165 0.000 2.915 14 H HA 0.218 4.896 4.556 0.203 0.000 0.298 14 H C -0.862 174.140 175.328 -0.544 0.000 1.516 14 H CA 0.038 56.040 56.048 -0.077 0.000 1.480 14 H CB 2.885 32.492 29.762 -0.258 0.000 1.847 14 H HN -0.668 7.811 8.280 0.485 0.092 0.806 15 G N -4.216 104.012 108.800 -0.954 0.000 2.663 15 G HA2 0.129 3.136 3.960 -1.589 0.000 0.299 15 G HA3 0.129 3.851 3.960 -0.395 0.000 0.299 15 G C -1.274 173.194 174.900 -0.720 0.000 1.372 15 G CA -0.401 44.109 45.100 -0.982 0.000 0.781 15 G HN -0.127 7.396 8.290 -1.278 0.000 0.491 16 A N 1.340 124.090 122.820 -0.116 0.000 1.986 16 A HA -0.156 4.390 4.320 0.376 0.000 0.220 16 A C 1.678 179.325 177.584 0.105 0.000 1.171 16 A CA 3.008 55.145 52.037 0.167 0.000 0.640 16 A CB -0.054 19.066 19.000 0.199 0.000 0.811 16 A HN 0.471 8.956 8.150 -0.035 -0.356 0.451 17 W N -5.233 116.126 121.300 0.098 0.000 2.341 17 W HA -0.327 4.399 4.660 0.110 0.000 0.283 17 W C 1.048 177.648 176.519 0.136 0.000 1.215 17 W CA 0.486 57.880 57.345 0.082 0.000 1.211 17 W CB -1.310 28.136 29.460 -0.022 0.000 1.131 17 W HN -0.206 8.011 8.180 0.118 0.035 0.552 18 I N 1.351 121.589 120.570 -0.554 0.000 2.567 18 I HA -0.250 3.840 4.170 -0.134 0.000 0.257 18 I C 0.435 176.350 176.117 -0.337 0.000 1.184 18 I CA 1.617 62.602 61.300 -0.525 0.000 1.451 18 I CB -0.184 37.212 38.000 -1.007 0.000 1.089 18 I HN -0.609 6.934 8.210 -1.051 0.036 0.441 19 W N -3.230 118.051 121.300 -0.031 0.000 3.388 19 W HA 0.023 4.614 4.660 -0.115 0.000 0.324 19 W C 0.399 176.919 176.519 0.002 0.000 1.250 19 W CA -0.676 56.633 57.345 -0.059 0.000 1.809 19 W CB -1.181 28.225 29.460 -0.090 0.000 1.083 19 W HN -0.475 7.634 8.180 -0.038 0.048 0.685 20 H N -2.211 116.971 119.070 0.185 0.000 2.491 20 H HA -0.202 4.449 4.556 0.158 0.000 0.290 20 H C 0.809 176.207 175.328 0.117 0.000 1.050 20 H CA 3.000 59.142 56.048 0.156 0.000 1.309 20 H CB -0.485 29.373 29.762 0.161 0.000 1.392 20 H HN -0.360 8.074 8.280 0.400 0.086 0.554 21 K N -1.623 118.539 120.400 -0.396 0.000 2.166 21 K HA -0.165 4.037 4.320 -0.197 0.000 0.201 21 K C 1.408 177.967 176.600 -0.068 0.000 1.052 21 K CA 2.002 58.141 56.287 -0.246 0.000 0.969 21 K CB -0.037 32.286 32.500 -0.296 0.000 0.761 21 K HN -0.134 7.801 8.250 -0.482 0.027 0.459 22 L N 0.158 121.380 121.223 -0.001 0.000 2.072 22 L HA -0.238 4.098 4.340 -0.007 0.000 0.205 22 L C 1.054 177.922 176.870 -0.002 0.000 1.079 22 L CA 2.623 57.477 54.840 0.023 0.000 0.752 22 L CB -0.444 41.683 42.059 0.113 0.000 0.906 22 L HN -0.516 7.725 8.230 0.018 0.000 0.436 23 K N -0.522 119.898 120.400 0.033 0.000 2.009 23 K HA -0.251 4.047 4.320 -0.037 0.000 0.210 23 K C -1.064 175.542 176.600 0.009 0.000 1.049 23 K CA 5.850 62.141 56.287 0.008 0.000 0.929 23 K CB -1.860 30.666 32.500 0.043 0.000 0.714 23 K HN -0.160 8.140 8.250 0.084 0.000 0.440 24 P HA -0.083 4.506 4.420 0.013 -0.161 0.218 24 P C 1.590 178.893 177.300 0.005 0.000 1.149 24 P CA 2.429 65.538 63.100 0.015 0.000 0.817 24 P CB -0.260 31.454 31.700 0.023 0.000 0.785 25 L N -2.559 118.663 121.223 -0.001 0.000 2.056 25 L HA -0.340 4.001 4.340 0.002 0.000 0.207 25 L C 2.369 179.248 176.870 0.015 0.000 1.078 25 L CA 2.984 57.824 54.840 -0.001 0.000 0.749 25 L CB -0.414 41.637 42.059 -0.013 0.000 0.901 25 L HN -0.925 7.302 8.230 -0.005 0.000 0.433 26 L N -2.245 118.983 121.223 0.008 0.000 2.046 26 L HA -0.433 3.991 4.340 0.140 0.000 0.208 26 L C 2.549 179.499 176.870 0.133 0.000 1.077 26 L CA 3.210 58.101 54.840 0.085 0.000 0.747 26 L CB -0.399 41.639 42.059 -0.035 0.000 0.896 26 L HN -0.144 8.074 8.230 -0.020 0.000 0.432 27 E N -0.854 119.375 120.200 0.048 0.000 2.153 27 E HA -0.268 4.261 4.350 -0.005 -0.181 0.194 27 E C 2.936 179.507 176.600 -0.049 0.000 0.988 27 E CA 2.663 59.060 56.400 -0.005 0.000 0.811 27 E CB -0.192 29.499 29.700 -0.015 0.000 0.746 27 E HN -0.303 8.076 8.360 0.031 0.000 0.466 28 A N -0.885 121.922 122.820 -0.022 0.000 2.168 28 A HA -0.112 4.183 4.320 -0.043 0.000 0.215 28 A C 0.612 178.176 177.584 -0.033 0.000 1.152 28 A CA 2.260 54.280 52.037 -0.029 0.000 0.716 28 A CB -0.509 18.486 19.000 -0.009 0.000 0.794 28 A HN -0.197 7.846 8.150 -0.003 0.105 0.465 29 L N -4.899 116.307 121.223 -0.029 0.000 2.567 29 L HA 0.047 4.386 4.340 -0.003 0.000 0.225 29 L C 0.436 177.169 176.870 -0.229 0.000 1.119 29 L CA -0.454 54.358 54.840 -0.047 0.000 0.871 29 L CB 0.348 42.452 42.059 0.074 0.000 1.036 29 L HN -0.756 7.316 8.230 0.001 0.159 0.459 30 G N -3.872 104.705 108.800 -0.371 0.000 2.179 30 G HA2 -0.333 3.232 3.960 -0.657 0.000 0.220 30 G HA3 -0.333 2.937 3.960 -1.150 0.000 0.220 30 G C -0.143 174.243 174.900 -0.858 0.000 0.990 30 G CA -0.333 44.289 45.100 -0.798 0.000 0.646 30 G HN -0.454 7.503 8.290 -0.249 0.184 0.517 31 H N 0.122 119.109 119.070 -0.139 0.000 2.546 31 H HA 0.080 4.700 4.556 0.003 -0.063 0.365 31 H C -0.551 174.742 175.328 -0.059 0.000 1.220 31 H CA 0.278 56.332 56.048 0.009 0.000 1.386 31 H CB 1.119 31.061 29.762 0.300 0.000 1.510 31 H HN -0.617 7.471 8.280 -0.320 0.000 0.591 32 K N 1.968 122.416 120.400 0.082 0.000 2.172 32 K HA 0.190 4.457 4.320 -0.089 0.000 0.276 32 K C -2.056 174.575 176.600 0.053 0.000 1.013 32 K CA -1.107 55.136 56.287 -0.075 0.000 0.913 32 K CB 0.886 33.183 32.500 -0.339 0.000 1.055 32 K HN -0.021 8.303 8.250 0.123 0.000 0.461 33 V N 5.837 125.764 119.914 0.021 0.000 2.638 33 V HA 0.701 5.125 4.120 0.189 -0.190 0.306 33 V C -0.330 175.780 176.094 0.027 0.000 1.052 33 V CA -1.787 60.563 62.300 0.085 0.000 0.885 33 V CB 2.896 34.740 31.823 0.036 0.000 0.999 33 V HN 0.262 8.430 8.190 -0.037 0.000 0.424 34 T N 7.689 122.260 114.554 0.028 0.000 2.792 34 T HA 0.264 4.551 4.350 -0.106 0.000 0.280 34 T C -1.616 172.939 174.700 -0.242 0.000 0.990 34 T CA -1.026 60.990 62.100 -0.139 0.000 0.960 34 T CB 1.704 70.361 68.868 -0.353 0.000 0.939 34 T HN 0.626 8.916 8.240 0.084 0.000 0.439 35 A N 7.892 130.603 122.820 -0.181 0.000 2.293 35 A HA 0.575 4.904 4.320 -0.250 -0.159 0.312 35 A C -1.174 176.377 177.584 -0.056 0.000 1.309 35 A CA -1.394 50.558 52.037 -0.141 0.000 0.839 35 A CB 1.376 20.370 19.000 -0.010 0.000 1.155 35 A HN 0.326 8.400 8.150 -0.128 0.000 0.501 36 L N 2.989 124.168 121.223 -0.074 0.000 2.357 36 L HA 0.098 4.410 4.340 -0.046 0.000 0.273 36 L C -0.546 176.419 176.870 0.159 0.000 1.080 36 L CA -0.803 54.022 54.840 -0.025 0.000 0.803 36 L CB 1.038 43.026 42.059 -0.117 0.000 1.174 36 L HN -0.484 7.674 8.230 -0.120 0.000 0.443 37 D N 1.128 121.623 120.400 0.157 0.000 2.280 37 D HA 0.084 4.948 4.640 0.374 0.000 0.243 37 D C -0.363 176.080 176.300 0.239 0.000 1.129 37 D CA -0.278 53.873 54.000 0.252 0.000 0.848 37 D CB 0.433 41.330 40.800 0.162 0.000 1.107 37 D HN -0.052 8.380 8.370 0.104 0.000 0.471 38 L N 1.755 123.218 121.223 0.400 0.000 2.470 38 L HA -0.051 4.272 4.340 -0.029 0.000 0.243 38 L C -0.052 176.923 176.870 0.173 0.000 1.227 38 L CA -0.205 54.677 54.840 0.070 0.000 0.824 38 L CB 0.661 42.502 42.059 -0.363 0.000 1.175 38 L HN 0.074 8.900 8.230 0.993 0.000 0.503 39 A N -2.349 120.548 122.820 0.128 0.000 2.498 39 A HA -0.238 4.299 4.320 0.165 -0.118 0.239 39 A C -0.078 177.699 177.584 0.322 0.000 1.068 39 A CA 0.720 52.888 52.037 0.219 0.000 0.766 39 A CB -0.178 18.950 19.000 0.214 0.000 1.003 39 A HN -0.289 7.858 8.150 -0.006 0.000 0.497 40 A N 1.253 124.205 122.820 0.219 0.000 2.826 40 A HA -0.394 4.250 4.320 0.139 -0.240 0.274 40 A C -1.314 176.397 177.584 0.211 0.000 1.443 40 A CA 0.846 52.996 52.037 0.188 0.000 0.833 40 A CB -1.554 17.551 19.000 0.174 0.000 1.023 40 A HN 0.408 8.989 8.150 0.176 -0.326 0.600 41 S N -2.030 113.809 115.700 0.231 0.000 2.568 41 S HA 0.219 4.805 4.470 0.194 0.000 0.293 41 S C 0.051 174.731 174.600 0.133 0.000 1.089 41 S CA -0.900 57.424 58.200 0.207 0.000 0.945 41 S CB 2.593 65.993 63.200 0.333 0.000 1.077 41 S HN -0.901 7.511 8.310 0.223 0.033 0.485 42 G N 3.671 112.547 108.800 0.127 0.000 2.622 42 G HA2 -0.391 3.754 3.960 0.309 0.000 0.307 42 G HA3 -0.391 3.889 3.960 0.173 -0.216 0.307 42 G C 0.271 175.246 174.900 0.124 0.000 1.226 42 G CA 1.660 46.874 45.100 0.190 0.000 0.997 42 G HN 0.190 8.564 8.290 0.141 0.000 0.551 43 V N 0.775 120.754 119.914 0.110 0.000 3.421 43 V HA 0.239 4.393 4.120 0.056 0.000 0.316 43 V C -0.577 175.560 176.094 0.072 0.000 1.347 43 V CA -1.656 60.687 62.300 0.072 0.000 1.183 43 V CB -0.793 31.063 31.823 0.056 0.000 1.092 43 V HN -0.432 8.088 8.190 0.126 -0.255 0.433 44 D N 2.733 123.189 120.400 0.092 0.000 2.455 44 D HA 0.020 4.710 4.640 0.082 0.000 0.241 44 D C 0.023 176.367 176.300 0.073 0.000 1.138 44 D CA -0.593 53.461 54.000 0.090 0.000 0.877 44 D CB 2.280 43.151 40.800 0.119 0.000 1.187 44 D HN -0.499 7.867 8.370 0.107 0.068 0.451 45 P HA 0.010 4.453 4.420 0.038 0.000 0.233 45 P C -0.216 177.111 177.300 0.046 0.000 1.167 45 P CA 0.515 63.642 63.100 0.045 0.000 0.770 45 P CB 0.456 32.180 31.700 0.039 0.000 0.837 46 R N -1.176 119.361 120.500 0.060 0.000 2.582 46 R HA -0.031 4.460 4.340 0.044 -0.124 0.271 46 R C -0.573 175.758 176.300 0.051 0.000 1.078 46 R CA 0.108 56.243 56.100 0.058 0.000 1.127 46 R CB 0.902 31.250 30.300 0.080 0.000 1.038 46 R HN -0.606 7.924 8.270 0.072 -0.216 0.500 47 Q N 0.200 120.016 119.800 0.025 0.000 2.205 47 Q HA 0.278 4.627 4.340 0.015 0.000 0.249 47 Q C 1.031 177.026 176.000 -0.008 0.000 0.948 47 Q CA -1.939 53.864 55.803 0.000 0.000 0.895 47 Q CB 1.633 30.346 28.738 -0.041 0.000 1.249 47 Q HN -0.098 8.499 8.270 0.019 -0.316 0.458 48 I N 3.396 123.953 120.570 -0.022 0.000 2.361 48 I HA -0.438 3.775 4.170 0.072 0.000 0.251 48 I C 1.549 177.505 176.117 -0.268 0.000 1.133 48 I CA 2.679 63.962 61.300 -0.027 0.000 1.413 48 I CB 0.186 38.202 38.000 0.026 0.000 1.073 48 I HN 0.674 8.874 8.210 -0.016 0.000 0.424 49 E N -2.211 117.702 120.200 -0.477 0.000 2.409 49 E HA -0.247 2.873 4.350 -2.050 0.000 0.198 49 E C 0.741 177.205 176.600 -0.228 0.000 1.024 49 E CA 2.467 58.362 56.400 -0.840 0.000 0.861 49 E CB -1.133 28.274 29.700 -0.488 0.000 0.788 49 E HN 0.348 8.486 8.360 -0.322 0.029 0.521 50 E N -3.970 116.196 120.200 -0.057 0.000 2.435 50 E HA -0.109 4.280 4.350 0.065 0.000 0.195 50 E C -0.256 176.426 176.600 0.138 0.000 1.029 50 E CA 0.889 57.322 56.400 0.056 0.000 0.865 50 E CB 0.590 30.319 29.700 0.049 0.000 0.833 50 E HN -0.693 7.573 8.360 -0.076 0.048 0.510 51 I N -0.559 120.137 120.570 0.209 0.000 2.354 51 I HA 0.203 4.625 4.170 0.186 -0.141 0.292 51 I C -0.073 176.291 176.117 0.412 0.000 0.989 51 I CA -3.114 58.348 61.300 0.270 0.000 1.188 51 I CB -0.209 37.981 38.000 0.316 0.000 1.342 51 I HN -0.306 7.832 8.210 0.177 0.178 0.457 52 G N 6.873 115.801 108.800 0.212 0.000 3.126 52 G HA2 0.012 4.178 3.960 0.344 0.000 0.224 52 G HA3 0.012 4.064 3.960 0.155 0.000 0.224 52 G C -1.650 173.267 174.900 0.029 0.000 1.142 52 G CA 0.025 45.249 45.100 0.206 0.000 0.759 52 G HN 0.239 9.209 8.290 0.124 -0.606 0.550 53 S N -4.062 111.396 115.700 -0.402 0.000 2.611 53 S HA 0.020 4.199 4.470 -0.484 0.000 0.268 53 S C -0.833 173.146 174.600 -1.035 0.000 1.156 53 S CA -1.459 56.397 58.200 -0.573 0.000 0.817 53 S CB 1.699 64.817 63.200 -0.137 0.000 1.122 53 S HN -1.062 6.983 8.310 -0.442 0.000 0.466 54 F N 1.929 121.480 119.950 -0.665 0.000 2.216 54 F HA -0.298 4.098 4.527 -0.218 0.000 0.300 54 F C 1.122 176.911 175.800 -0.018 0.000 1.085 54 F CA 4.680 62.561 58.000 -0.198 0.000 1.326 54 F CB 0.314 39.395 39.000 0.134 0.000 1.027 54 F HN 0.748 8.953 8.300 -0.158 0.000 0.497 55 D N -2.448 118.034 120.400 0.138 0.000 2.097 55 D HA -0.324 4.423 4.640 0.178 0.000 0.197 55 D C 1.065 177.399 176.300 0.057 0.000 0.984 55 D CA 3.579 57.652 54.000 0.122 0.000 0.826 55 D CB -0.618 40.239 40.800 0.094 0.000 0.973 55 D HN -0.017 8.386 8.370 0.092 0.022 0.460 56 E N -1.917 118.280 120.200 -0.004 0.000 2.077 56 E HA -0.300 4.071 4.350 0.036 0.000 0.193 56 E C 2.546 179.173 176.600 0.046 0.000 0.989 56 E CA 2.492 58.900 56.400 0.013 0.000 0.800 56 E CB 0.226 29.927 29.700 0.001 0.000 0.746 56 E HN -0.746 7.586 8.360 -0.047 0.000 0.452 57 Y N 1.180 121.380 120.300 -0.167 0.000 2.256 57 Y HA -0.361 4.167 4.550 -0.036 0.000 0.288 57 Y C 1.014 176.898 175.900 -0.027 0.000 1.155 57 Y CA 2.234 60.265 58.100 -0.115 0.000 1.203 57 Y CB -0.101 38.170 38.460 -0.316 0.000 0.980 57 Y HN -0.232 8.015 8.280 -0.054 0.000 0.530 58 S N -2.499 113.131 115.700 -0.116 0.000 2.607 58 S HA -0.222 4.076 4.470 -0.287 0.000 0.224 58 S C 1.109 175.682 174.600 -0.044 0.000 0.969 58 S CA 2.637 60.760 58.200 -0.129 0.000 0.927 58 S CB -0.872 62.348 63.200 0.034 0.000 0.772 58 S HN -0.442 7.745 8.310 0.006 0.127 0.533 59 E N 2.687 122.886 120.200 -0.002 0.000 2.086 59 E HA -0.282 4.103 4.350 0.058 0.000 0.200 59 E C -0.511 176.111 176.600 0.037 0.000 1.012 59 E CA 4.783 61.206 56.400 0.039 0.000 0.812 59 E CB -1.829 27.902 29.700 0.053 0.000 0.743 59 E HN -0.428 7.756 8.360 0.000 0.177 0.453 60 P HA -0.192 4.266 4.420 0.063 0.000 0.218 60 P C 1.292 178.622 177.300 0.050 0.000 1.148 60 P CA 3.052 66.176 63.100 0.041 0.000 0.822 60 P CB -0.453 31.265 31.700 0.031 0.000 0.784 61 L N -1.702 119.523 121.223 0.004 0.000 2.056 61 L HA -0.243 4.113 4.340 0.027 0.000 0.207 61 L C 1.291 178.198 176.870 0.062 0.000 1.078 61 L CA 3.149 58.000 54.840 0.019 0.000 0.749 61 L CB -0.341 41.695 42.059 -0.039 0.000 0.901 61 L HN -0.698 7.497 8.230 -0.034 0.014 0.433 62 L N -2.213 119.057 121.223 0.079 0.000 2.046 62 L HA -0.443 3.996 4.340 0.165 0.000 0.208 62 L C 2.301 179.190 176.870 0.033 0.000 1.077 62 L CA 3.491 58.413 54.840 0.137 0.000 0.747 62 L CB -0.796 41.393 42.059 0.215 0.000 0.896 62 L HN -0.519 7.752 8.230 0.069 0.000 0.432 63 T N 1.141 115.727 114.554 0.053 0.000 2.746 63 T HA -0.299 4.060 4.350 0.014 0.000 0.267 63 T C 2.000 176.682 174.700 -0.030 0.000 1.039 63 T CA 4.492 66.606 62.100 0.024 0.000 1.142 63 T CB -0.295 68.608 68.868 0.058 0.000 0.866 63 T HN 0.021 8.305 8.240 0.073 0.000 0.444 64 F N 2.746 122.634 119.950 -0.103 0.000 2.102 64 F HA -0.354 4.121 4.527 -0.087 0.000 0.298 64 F C 1.202 176.876 175.800 -0.211 0.000 1.105 64 F CA 3.609 61.536 58.000 -0.120 0.000 1.239 64 F CB 0.096 39.036 39.000 -0.099 0.000 0.991 64 F HN -0.589 7.819 8.300 0.179 0.000 0.474 65 L N -3.118 117.933 121.223 -0.287 0.000 2.083 65 L HA -0.504 3.564 4.340 -0.453 0.000 0.209 65 L C 2.220 178.618 176.870 -0.786 0.000 1.083 65 L CA 2.665 57.166 54.840 -0.565 0.000 0.752 65 L CB -0.425 41.248 42.059 -0.642 0.000 0.899 65 L HN -0.292 7.860 8.230 -0.130 0.000 0.433 66 E N -0.702 119.039 120.200 -0.766 0.000 2.118 66 E HA -0.418 3.677 4.350 -0.425 0.000 0.195 66 E C 1.607 178.045 176.600 -0.270 0.000 0.992 66 E CA 2.571 58.721 56.400 -0.417 0.000 0.804 66 E CB -0.353 29.279 29.700 -0.114 0.000 0.741 66 E HN -0.294 7.662 8.360 -0.673 0.000 0.458 67 A N -2.022 120.605 122.820 -0.322 0.000 2.206 67 A HA -0.099 4.107 4.320 -0.190 0.000 0.211 67 A C 0.132 177.527 177.584 -0.315 0.000 1.158 67 A CA 0.325 52.191 52.037 -0.285 0.000 0.761 67 A CB -0.119 18.702 19.000 -0.298 0.000 0.801 67 A HN -0.703 7.101 8.150 -0.374 0.122 0.473 68 L N 0.552 121.552 121.223 -0.371 0.000 2.410 68 L HA 0.132 4.312 4.340 -0.268 0.000 0.273 68 L C -1.822 174.958 176.870 -0.150 0.000 1.152 68 L CA -1.945 52.733 54.840 -0.270 0.000 0.855 68 L CB -0.143 41.760 42.059 -0.260 0.000 1.129 68 L HN -0.760 7.052 8.230 -0.431 0.159 0.463 69 P HA 0.211 4.600 4.420 -0.053 0.000 0.270 69 P C -2.242 175.035 177.300 -0.037 0.000 1.223 69 P CA -1.276 61.791 63.100 -0.055 0.000 0.785 69 P CB -0.429 31.248 31.700 -0.038 0.000 0.923 70 P HA -0.115 4.304 4.420 -0.002 0.000 0.264 70 P C 0.424 177.721 177.300 -0.004 0.000 1.183 70 P CA 1.409 64.506 63.100 -0.006 0.000 0.763 70 P CB -0.086 31.615 31.700 0.001 0.000 0.807 71 G N 2.603 111.404 108.800 0.001 0.000 2.258 71 G HA2 -0.387 3.578 3.960 0.008 0.000 0.233 71 G HA3 -0.387 3.576 3.960 0.005 0.000 0.233 71 G C -0.630 174.272 174.900 0.003 0.000 1.006 71 G CA -0.110 44.992 45.100 0.004 0.000 0.620 71 G HN 0.229 8.521 8.290 0.004 0.000 0.511 72 E N 3.041 123.239 120.200 -0.004 0.000 2.194 72 E HA 0.025 4.383 4.350 0.013 0.000 0.284 72 E C -0.835 175.756 176.600 -0.015 0.000 1.035 72 E CA -0.199 56.201 56.400 -0.000 0.000 0.836 72 E CB 0.651 30.351 29.700 0.001 0.000 1.070 72 E HN -0.434 7.841 8.360 -0.011 0.078 0.401 73 K N 4.036 124.430 120.400 -0.010 0.000 2.208 73 K HA 0.589 5.068 4.320 -0.037 -0.181 0.247 73 K C -1.028 175.535 176.600 -0.061 0.000 0.953 73 K CA -1.405 54.864 56.287 -0.030 0.000 0.837 73 K CB 2.638 35.130 32.500 -0.014 0.000 1.131 73 K HN 0.251 8.503 8.250 0.003 0.000 0.431 74 V N -4.122 115.729 119.914 -0.105 0.000 3.074 74 V HA 0.739 4.860 4.120 -0.186 -0.112 0.314 74 V C -1.756 174.240 176.094 -0.163 0.000 1.117 74 V CA -3.524 58.667 62.300 -0.181 0.000 1.014 74 V CB 3.449 35.106 31.823 -0.277 0.000 1.057 74 V HN 0.441 8.579 8.190 -0.086 0.000 0.438 75 I N 1.186 121.617 120.570 -0.230 0.000 2.330 75 I HA 0.374 4.661 4.170 -0.118 -0.188 0.289 75 I C -0.485 175.575 176.117 -0.096 0.000 1.001 75 I CA -1.189 60.014 61.300 -0.163 0.000 1.193 75 I CB 0.765 38.627 38.000 -0.229 0.000 1.345 75 I HN 0.018 8.046 8.210 -0.304 0.000 0.461 76 L N 7.820 128.980 121.223 -0.105 0.000 2.371 76 L HA 0.304 4.701 4.340 -0.153 -0.149 0.272 76 L C -0.802 175.969 176.870 -0.165 0.000 1.124 76 L CA -0.267 54.487 54.840 -0.144 0.000 0.816 76 L CB 0.813 42.781 42.059 -0.152 0.000 1.129 76 L HN 0.068 8.237 8.230 -0.102 0.000 0.448 77 V N 1.992 121.772 119.914 -0.222 0.000 2.447 77 V HA 0.660 4.864 4.120 -0.210 -0.210 0.292 77 V C -1.178 174.774 176.094 -0.237 0.000 1.021 77 V CA -1.766 60.382 62.300 -0.252 0.000 0.850 77 V CB 1.576 33.192 31.823 -0.345 0.000 1.005 77 V HN 0.471 8.511 8.190 -0.250 0.000 0.426 78 G N 5.570 114.276 108.800 -0.156 0.000 2.478 78 G HA2 0.670 4.830 3.960 0.027 0.000 0.317 78 G HA3 0.670 4.582 3.960 -0.080 0.000 0.317 78 G C -2.762 172.200 174.900 0.102 0.000 1.259 78 G CA -1.520 43.564 45.100 -0.027 0.000 0.933 78 G HN 0.706 8.865 8.290 -0.218 0.000 0.478 79 E N 3.965 124.256 120.200 0.152 0.000 2.231 79 E HA 0.840 5.498 4.350 0.134 -0.229 0.277 79 E C 0.395 177.023 176.600 0.047 0.000 0.999 79 E CA -2.056 54.371 56.400 0.046 0.000 0.827 79 E CB 2.622 32.155 29.700 -0.278 0.000 1.101 79 E HN -0.219 8.270 8.360 0.214 0.000 0.393 80 S N 2.517 118.230 115.700 0.022 0.000 4.150 80 S HA -0.578 3.963 4.470 -0.214 -0.199 0.551 80 S C 1.160 175.948 174.600 0.314 0.000 1.874 80 S CA 3.467 61.642 58.200 -0.042 0.000 4.241 80 S CB -0.911 62.168 63.200 -0.201 0.000 0.292 80 S HN 0.160 8.405 8.310 0.030 0.083 0.469 81 C N 2.856 122.373 119.300 0.362 0.000 2.491 81 C HA -0.034 4.731 4.460 0.509 0.000 0.277 81 C C 2.426 177.677 174.990 0.435 0.000 1.455 81 C CA 1.352 60.660 59.018 0.483 0.000 1.758 81 C CB -1.112 26.987 27.740 0.597 0.000 1.745 81 C HN -0.018 8.384 8.230 0.288 0.000 0.558 82 G N 0.316 109.304 108.800 0.312 0.000 2.479 82 G HA2 -0.323 4.014 3.960 0.240 0.000 0.220 82 G HA3 -0.323 3.722 3.960 0.141 0.000 0.220 82 G C 0.558 175.555 174.900 0.162 0.000 1.115 82 G CA 2.193 47.421 45.100 0.213 0.000 0.757 82 G HN 0.378 8.666 8.290 0.266 0.162 0.560 83 G N 1.139 110.082 108.800 0.238 0.000 2.462 83 G HA2 -0.296 3.775 3.960 0.184 0.000 0.220 83 G HA3 -0.296 4.206 3.960 0.521 -0.229 0.220 83 G C 1.074 176.050 174.900 0.128 0.000 1.121 83 G CA 1.513 46.793 45.100 0.299 0.000 0.758 83 G HN -0.475 7.962 8.290 0.302 0.035 0.559 84 L N 0.555 121.801 121.223 0.039 0.000 2.093 84 L HA -0.429 3.741 4.340 -0.283 0.000 0.208 84 L C 1.716 178.534 176.870 -0.086 0.000 1.085 84 L CA 3.088 57.808 54.840 -0.200 0.000 0.755 84 L CB -0.243 41.426 42.059 -0.651 0.000 0.904 84 L HN -0.459 7.824 8.230 0.120 0.020 0.435 85 N N -0.471 118.318 118.700 0.150 0.000 2.166 85 N HA -0.301 4.562 4.740 0.205 0.000 0.186 85 N C 2.377 177.884 175.510 -0.006 0.000 1.019 85 N CA 3.601 56.731 53.050 0.134 0.000 0.856 85 N CB -0.172 38.369 38.487 0.090 0.000 0.993 85 N HN -0.647 7.879 8.380 0.244 0.000 0.426 86 I N -0.020 120.517 120.570 -0.054 0.000 2.163 86 I HA -0.556 3.579 4.170 -0.058 0.000 0.243 86 I C 1.274 177.317 176.117 -0.125 0.000 1.085 86 I CA 4.242 65.496 61.300 -0.077 0.000 1.347 86 I CB -0.273 37.650 38.000 -0.129 0.000 1.044 86 I HN -0.264 7.926 8.210 -0.032 0.000 0.408 87 A N -0.454 122.109 122.820 -0.428 0.000 1.902 87 A HA -0.340 3.398 4.320 -0.970 0.000 0.217 87 A C 2.001 179.246 177.584 -0.566 0.000 1.181 87 A CA 3.146 54.538 52.037 -1.075 0.000 0.623 87 A CB -0.837 16.739 19.000 -2.373 0.000 0.818 87 A HN -0.581 7.328 8.150 -0.402 0.000 0.443 88 I N -2.161 118.257 120.570 -0.254 0.000 2.163 88 I HA -0.584 3.725 4.170 0.232 0.000 0.243 88 I C 1.738 177.909 176.117 0.090 0.000 1.085 88 I CA 3.801 65.157 61.300 0.093 0.000 1.347 88 I CB -0.064 38.047 38.000 0.186 0.000 1.044 88 I HN -0.561 7.476 8.210 -0.288 0.000 0.408 89 A N -2.193 120.669 122.820 0.071 0.000 1.933 89 A HA -0.298 4.139 4.320 0.195 0.000 0.218 89 A C 1.758 179.434 177.584 0.154 0.000 1.175 89 A CA 2.913 55.035 52.037 0.141 0.000 0.628 89 A CB -0.643 18.421 19.000 0.107 0.000 0.814 89 A HN -0.260 7.908 8.150 0.030 0.000 0.444 90 A N -3.080 119.812 122.820 0.120 0.000 2.067 90 A HA -0.227 4.186 4.320 0.155 0.000 0.219 90 A C 1.505 179.176 177.584 0.146 0.000 1.158 90 A CA 2.629 54.762 52.037 0.161 0.000 0.661 90 A CB -0.468 18.687 19.000 0.258 0.000 0.801 90 A HN -0.071 8.126 8.150 0.078 0.000 0.452 91 D N -4.835 115.647 120.400 0.136 0.000 2.349 91 D HA -0.055 4.665 4.640 0.132 0.000 0.224 91 D C 0.573 176.882 176.300 0.015 0.000 1.029 91 D CA 1.639 55.712 54.000 0.122 0.000 0.879 91 D CB 0.074 40.992 40.800 0.196 0.000 0.906 91 D HN -0.617 7.802 8.370 0.127 0.026 0.528 92 K N -1.449 118.919 120.400 -0.054 0.000 2.399 92 K HA 0.048 4.190 4.320 -0.296 0.000 0.196 92 K C 0.608 176.827 176.600 -0.635 0.000 1.117 92 K CA 0.837 56.917 56.287 -0.344 0.000 0.965 92 K CB 2.632 34.877 32.500 -0.425 0.000 0.983 92 K HN -0.577 7.500 8.250 0.016 0.183 0.531 93 Y N -2.511 117.815 120.300 0.042 0.000 2.720 93 Y HA 0.397 5.067 4.550 0.021 -0.108 0.264 93 Y C 0.467 176.382 175.900 0.026 0.000 0.989 93 Y CA -1.596 56.519 58.100 0.025 0.000 1.100 93 Y CB 0.043 38.510 38.460 0.012 0.000 1.196 93 Y HN -0.245 8.064 8.280 0.048 0.000 0.631 94 C N 1.261 120.629 119.300 0.114 0.000 2.403 94 C HA -0.368 4.155 4.460 0.105 0.000 0.277 94 C C 1.124 176.161 174.990 0.079 0.000 1.248 94 C CA 2.336 61.410 59.018 0.095 0.000 1.762 94 C CB -0.867 26.918 27.740 0.076 0.000 2.014 94 C HN 0.212 8.483 8.230 0.067 0.000 0.486 95 E N 0.019 120.267 120.200 0.079 0.000 2.338 95 E HA -0.260 4.118 4.350 0.047 0.000 0.197 95 E C 0.165 176.798 176.600 0.055 0.000 1.007 95 E CA 1.670 58.106 56.400 0.060 0.000 0.849 95 E CB -1.375 28.358 29.700 0.055 0.000 0.774 95 E HN 0.490 8.877 8.360 0.085 0.023 0.506 96 K N -2.711 117.733 120.400 0.073 0.000 2.404 96 K HA 0.147 4.476 4.320 0.016 0.000 0.194 96 K C -1.143 175.461 176.600 0.007 0.000 1.023 96 K CA -0.257 56.049 56.287 0.032 0.000 1.094 96 K CB 0.668 33.180 32.500 0.021 0.000 0.841 96 K HN -0.513 7.639 8.250 0.109 0.163 0.523 97 I N -0.522 120.061 120.570 0.023 0.000 2.359 97 I HA 0.282 4.587 4.170 -0.023 -0.149 0.284 97 I C -0.351 175.763 176.117 -0.005 0.000 1.018 97 I CA -1.190 60.110 61.300 0.001 0.000 1.173 97 I CB 0.728 38.742 38.000 0.023 0.000 1.326 97 I HN -0.682 7.481 8.210 0.040 0.072 0.462 98 A N 8.288 131.096 122.820 -0.021 0.000 1.929 98 A HA -0.078 4.252 4.320 0.018 0.000 0.216 98 A C -1.036 176.538 177.584 -0.016 0.000 1.176 98 A CA 1.682 53.719 52.037 0.000 0.000 0.628 98 A CB 1.026 20.027 19.000 0.001 0.000 0.816 98 A HN 0.501 8.627 8.150 -0.039 0.000 0.444 99 A N -7.042 115.744 122.820 -0.056 0.000 2.586 99 A HA 0.255 4.597 4.320 -0.143 -0.107 0.291 99 A C -2.879 174.654 177.584 -0.085 0.000 1.062 99 A CA -0.264 51.703 52.037 -0.118 0.000 0.666 99 A CB 2.640 21.521 19.000 -0.198 0.000 1.281 99 A HN -0.965 7.152 8.150 -0.055 0.000 0.421 100 A N -1.030 121.743 122.820 -0.079 0.000 2.343 100 A HA 0.903 5.297 4.320 -0.162 -0.171 0.316 100 A C -2.119 175.394 177.584 -0.118 0.000 1.104 100 A CA -2.044 49.912 52.037 -0.136 0.000 0.768 100 A CB 3.115 22.026 19.000 -0.148 0.000 1.213 100 A HN 0.425 8.531 8.150 -0.073 0.000 0.456 101 V N 2.626 122.426 119.914 -0.190 0.000 2.417 101 V HA 0.675 5.052 4.120 0.108 -0.192 0.291 101 V C -1.325 174.635 176.094 -0.224 0.000 1.024 101 V CA -2.243 60.024 62.300 -0.055 0.000 0.861 101 V CB 1.305 33.137 31.823 0.016 0.000 0.985 101 V HN 0.688 8.745 8.190 -0.221 0.000 0.436 102 F N 6.460 126.447 119.950 0.062 0.000 2.405 102 F HA 0.307 5.000 4.527 0.071 -0.123 0.355 102 F C -1.173 174.608 175.800 -0.031 0.000 1.121 102 F CA -0.846 57.165 58.000 0.019 0.000 1.112 102 F CB 1.546 40.540 39.000 -0.009 0.000 1.126 102 F HN 0.728 9.257 8.300 0.382 0.000 0.481 103 H N 5.876 124.965 119.070 0.032 0.000 2.725 103 H HA 0.405 5.058 4.556 -0.019 -0.109 0.283 103 H C -0.441 174.857 175.328 -0.051 0.000 1.110 103 H CA -1.435 54.607 56.048 -0.009 0.000 1.289 103 H CB 0.550 30.340 29.762 0.047 0.000 1.400 103 H HN 0.514 8.938 8.280 0.240 0.000 0.493 104 N N 7.057 125.723 118.700 -0.057 0.000 2.699 104 N HA -0.477 4.524 4.740 0.144 -0.175 0.256 104 N C -1.615 173.992 175.510 0.162 0.000 0.993 104 N CA 1.796 54.877 53.050 0.051 0.000 0.759 104 N CB -1.292 37.160 38.487 -0.059 0.000 0.906 104 N HN 0.311 8.617 8.380 -0.123 0.000 0.541 105 S N -3.376 112.476 115.700 0.254 0.000 2.568 105 S HA 0.351 5.221 4.470 0.464 -0.122 0.302 105 S C -0.532 174.460 174.600 0.652 0.000 1.082 105 S CA -1.833 56.644 58.200 0.461 0.000 1.009 105 S CB 2.384 65.840 63.200 0.426 0.000 1.069 105 S HN -0.491 7.861 8.310 0.070 0.000 0.500 106 V N -1.448 118.908 119.914 0.737 0.000 2.788 106 V HA -0.138 4.491 4.120 0.542 -0.183 0.307 106 V C -1.423 174.923 176.094 0.420 0.000 1.069 106 V CA 0.505 63.134 62.300 0.549 0.000 1.173 106 V CB 0.308 32.410 31.823 0.466 0.000 0.925 106 V HN 0.274 8.940 8.190 0.794 0.000 0.492 107 L N 5.497 126.870 121.223 0.251 0.000 2.457 107 L HA 0.609 4.924 4.340 -0.042 0.000 0.252 107 L C -2.511 174.431 176.870 0.120 0.000 1.132 107 L CA -3.357 51.518 54.840 0.059 0.000 0.938 107 L CB 0.403 42.433 42.059 -0.049 0.000 1.246 107 L HN 0.023 8.717 8.230 0.246 -0.316 0.476 108 P HA 0.060 4.569 4.420 0.150 0.000 0.271 108 P C -1.672 175.661 177.300 0.055 0.000 1.233 108 P CA -0.594 62.566 63.100 0.099 0.000 0.789 108 P CB 0.897 32.549 31.700 -0.079 0.000 0.951 109 D N -1.601 118.759 120.400 -0.066 0.000 2.727 109 D HA 0.281 4.272 4.640 -1.081 0.000 0.264 109 D C -0.372 175.843 176.300 -0.142 0.000 1.101 109 D CA -1.310 52.363 54.000 -0.544 0.000 1.122 109 D CB 2.515 42.906 40.800 -0.681 0.000 1.390 109 D HN -0.069 8.331 8.370 0.049 0.000 0.606 110 T N -8.157 106.264 114.554 -0.222 0.000 3.010 110 T HA 0.107 4.647 4.350 0.152 -0.099 0.257 110 T C 0.058 174.770 174.700 0.021 0.000 1.020 110 T CA 0.559 62.682 62.100 0.038 0.000 0.938 110 T CB 1.024 69.962 68.868 0.116 0.000 1.049 110 T HN -0.051 7.917 8.240 -0.453 0.000 0.522 111 E N -0.012 120.091 120.200 -0.163 0.000 2.340 111 E HA 0.037 4.330 4.350 -0.094 0.000 0.194 111 E C -0.345 175.993 176.600 -0.436 0.000 0.996 111 E CA 0.691 56.925 56.400 -0.277 0.000 0.869 111 E CB 0.687 30.122 29.700 -0.442 0.000 0.835 111 E HN 0.212 8.546 8.360 -0.232 -0.114 0.493 112 H N -1.296 117.548 119.070 -0.375 0.000 2.812 112 H HA 0.134 4.450 4.556 -0.399 0.000 0.355 112 H C -1.569 173.042 175.328 -1.195 0.000 1.207 112 H CA -1.176 54.491 56.048 -0.635 0.000 1.217 112 H CB 3.139 32.290 29.762 -1.017 0.000 1.874 112 H HN -0.413 7.897 8.280 -0.376 -0.255 0.581 113 C N -0.752 118.010 119.300 -0.897 0.000 2.700 113 C HA 0.158 3.350 4.460 -2.113 0.000 0.397 113 C C 0.603 175.301 174.990 -0.488 0.000 1.301 113 C CA -2.676 55.714 59.018 -1.047 0.000 2.219 113 C CB -0.968 26.564 27.740 -0.348 0.000 2.699 113 C HN 0.340 8.310 8.230 -0.433 0.000 0.669 114 P HA -0.217 4.105 4.420 -0.163 0.000 0.219 114 P C 0.086 177.375 177.300 -0.018 0.000 1.146 114 P CA 2.370 65.322 63.100 -0.246 0.000 0.808 114 P CB 0.156 31.570 31.700 -0.476 0.000 0.779 115 S N -4.057 111.638 115.700 -0.010 0.000 2.561 115 S HA -0.209 4.295 4.470 0.056 0.000 0.225 115 S C 0.822 175.486 174.600 0.106 0.000 0.977 115 S CA 1.350 59.581 58.200 0.052 0.000 0.926 115 S CB -0.417 62.807 63.200 0.041 0.000 0.769 115 S HN -0.619 7.628 8.310 -0.053 0.031 0.533 116 Y N 4.043 124.337 120.300 -0.010 0.000 2.069 116 Y HA -0.354 4.198 4.550 0.003 0.000 0.278 116 Y C 1.427 177.400 175.900 0.121 0.000 1.175 116 Y CA 3.713 61.828 58.100 0.025 0.000 1.134 116 Y CB 0.112 38.568 38.460 -0.007 0.000 0.965 116 Y HN -0.273 7.954 8.280 0.197 0.171 0.498 117 V N -5.494 114.532 119.914 0.187 0.000 2.871 117 V HA -0.192 4.051 4.120 0.204 0.000 0.256 117 V C 1.472 177.653 176.094 0.146 0.000 1.082 117 V CA 3.096 65.542 62.300 0.243 0.000 1.105 117 V CB -0.902 31.163 31.823 0.402 0.000 0.713 117 V HN -0.163 8.188 8.190 0.269 0.000 0.473 118 V N 3.033 122.996 119.914 0.082 0.000 2.358 118 V HA -0.462 3.664 4.120 0.009 0.000 0.246 118 V C 1.920 177.973 176.094 -0.067 0.000 1.047 118 V CA 4.120 66.433 62.300 0.021 0.000 1.035 118 V CB -0.947 30.918 31.823 0.070 0.000 0.658 118 V HN -0.826 7.427 8.190 0.105 0.000 0.452 119 D N 0.025 120.379 120.400 -0.076 0.000 2.123 119 D HA -0.346 4.235 4.640 -0.099 0.000 0.196 119 D C 2.442 178.609 176.300 -0.221 0.000 0.992 119 D CA 3.586 57.512 54.000 -0.124 0.000 0.833 119 D CB -0.766 39.977 40.800 -0.095 0.000 0.954 119 D HN -0.034 8.312 8.370 -0.040 0.000 0.455 120 K N -0.089 120.112 120.400 -0.332 0.000 2.057 120 K HA -0.212 3.962 4.320 -0.502 -0.156 0.206 120 K C 2.128 178.466 176.600 -0.437 0.000 1.050 120 K CA 1.936 57.919 56.287 -0.508 0.000 0.935 120 K CB -0.232 31.673 32.500 -0.992 0.000 0.715 120 K HN -0.756 7.309 8.250 -0.308 0.000 0.439 121 L N 0.319 121.235 121.223 -0.512 0.000 2.013 121 L HA -0.380 3.167 4.340 -1.322 0.000 0.212 121 L C 1.498 178.177 176.870 -0.318 0.000 1.073 121 L CA 3.459 57.793 54.840 -0.843 0.000 0.753 121 L CB -0.214 41.284 42.059 -0.935 0.000 0.890 121 L HN -0.175 7.834 8.230 -0.369 0.000 0.432 122 M N -4.839 114.672 119.600 -0.148 0.000 2.374 122 M HA -0.266 4.305 4.480 0.151 0.000 0.264 122 M C 2.416 178.687 176.300 -0.049 0.000 1.067 122 M CA 1.076 56.373 55.300 -0.004 0.000 1.103 122 M CB -1.475 31.102 32.600 -0.039 0.000 1.402 122 M HN -0.289 7.885 8.290 -0.177 0.009 0.444 123 E N -0.806 119.313 120.200 -0.135 0.000 2.072 123 E HA -0.257 4.031 4.350 -0.104 0.000 0.190 123 E C 2.082 178.615 176.600 -0.111 0.000 0.982 123 E CA 2.188 58.509 56.400 -0.132 0.000 0.803 123 E CB -0.063 29.526 29.700 -0.185 0.000 0.755 123 E HN -0.784 7.340 8.360 -0.186 0.125 0.453 124 V N -2.199 117.635 119.914 -0.134 0.000 2.453 124 V HA -0.203 3.880 4.120 -0.061 0.000 0.247 124 V C 0.351 176.462 176.094 0.028 0.000 1.048 124 V CA 3.000 65.259 62.300 -0.069 0.000 1.049 124 V CB 0.673 32.447 31.823 -0.082 0.000 0.672 124 V HN -0.597 7.476 8.190 -0.195 0.000 0.457 125 F N -0.168 119.712 119.950 -0.116 0.000 2.660 125 F HA 0.562 5.057 4.527 -0.053 0.000 0.352 125 F C -2.677 173.194 175.800 0.118 0.000 1.257 125 F CA -3.156 54.810 58.000 -0.057 0.000 1.200 125 F CB 2.070 40.970 39.000 -0.167 0.000 1.473 125 F HN -0.183 8.147 8.300 0.050 0.000 0.561 126 P HA 0.194 4.795 4.420 0.131 -0.103 0.231 126 P C -0.929 176.429 177.300 0.096 0.000 1.168 126 P CA 0.698 63.819 63.100 0.035 0.000 0.779 126 P CB 0.251 31.920 31.700 -0.051 0.000 0.844 127 D N -1.041 119.269 120.400 -0.149 0.000 2.460 127 D HA -0.002 4.698 4.640 0.101 0.000 0.232 127 D C -0.895 175.427 176.300 0.037 0.000 1.079 127 D CA -1.213 52.761 54.000 -0.043 0.000 0.864 127 D CB -0.487 40.221 40.800 -0.155 0.000 1.048 127 D HN -0.314 7.720 8.370 -0.485 0.045 0.523 128 W N 4.583 125.903 121.300 0.033 0.000 3.391 128 W HA 0.035 4.891 4.660 0.326 0.000 0.372 128 W C -0.545 176.059 176.519 0.142 0.000 1.171 128 W CA -1.467 56.000 57.345 0.204 0.000 1.862 128 W CB -0.836 28.794 29.460 0.282 0.000 1.048 128 W HN 0.355 8.898 8.180 0.604 0.000 0.726 129 K N -1.774 118.771 120.400 0.242 0.000 1.979 129 K HA -0.434 4.014 4.320 0.113 -0.061 0.143 129 K C -0.466 176.223 176.600 0.148 0.000 1.185 129 K CA 2.121 58.502 56.287 0.156 0.000 0.336 129 K CB -1.682 30.904 32.500 0.143 0.000 0.680 129 K HN -0.174 8.398 8.250 0.198 -0.204 0.783 130 D N -1.886 118.590 120.400 0.126 0.000 2.325 130 D HA 0.024 4.704 4.640 0.066 0.000 0.225 130 D C 0.510 176.836 176.300 0.043 0.000 1.096 130 D CA -0.242 53.803 54.000 0.075 0.000 0.844 130 D CB -0.498 40.337 40.800 0.058 0.000 0.925 130 D HN 0.121 8.573 8.370 0.138 0.000 0.513 131 T N 4.319 118.921 114.554 0.080 0.000 2.934 131 T HA -0.157 4.388 4.350 -0.040 -0.219 0.306 131 T C 0.454 175.006 174.700 -0.247 0.000 1.042 131 T CA 2.634 64.703 62.100 -0.052 0.000 1.145 131 T CB 0.423 69.318 68.868 0.045 0.000 0.982 131 T HN -0.518 7.745 8.240 0.159 0.073 0.544 132 T N 3.747 118.115 114.554 -0.310 0.000 2.925 132 T HA 0.297 4.548 4.350 -0.166 0.000 0.285 132 T C -1.621 172.812 174.700 -0.445 0.000 1.021 132 T CA -1.832 60.117 62.100 -0.252 0.000 1.042 132 T CB 2.271 71.094 68.868 -0.074 0.000 1.037 132 T HN 0.203 8.297 8.240 -0.243 0.000 0.481 133 Y N 0.206 120.550 120.300 0.073 0.000 2.536 133 Y HA 0.727 5.432 4.550 -0.036 -0.177 0.347 133 Y C -0.371 175.623 175.900 0.156 0.000 1.000 133 Y CA -1.754 56.356 58.100 0.017 0.000 1.051 133 Y CB 3.879 42.285 38.460 -0.090 0.000 1.259 133 Y HN 0.023 8.377 8.280 0.122 0.000 0.468 134 F N -2.366 117.668 119.950 0.141 0.000 2.745 134 F HA 0.528 5.101 4.527 0.077 0.000 0.316 134 F C -2.373 173.477 175.800 0.084 0.000 1.155 134 F CA -1.616 56.438 58.000 0.090 0.000 0.937 134 F CB 2.359 41.401 39.000 0.070 0.000 1.361 134 F HN 0.351 8.542 8.300 -0.182 0.000 0.472 135 T N -2.734 111.946 114.554 0.211 0.000 2.887 135 T HA 0.908 5.400 4.350 -0.113 -0.209 0.288 135 T C -1.300 173.570 174.700 0.283 0.000 1.021 135 T CA -1.296 60.846 62.100 0.069 0.000 1.000 135 T CB 3.278 72.138 68.868 -0.013 0.000 1.034 135 T HN -0.117 8.314 8.240 0.318 0.000 0.467 136 Y N -0.876 119.474 120.300 0.085 0.000 2.615 136 Y HA 0.336 4.955 4.550 0.115 0.000 0.341 136 Y C -2.001 173.939 175.900 0.066 0.000 1.089 136 Y CA -2.176 55.992 58.100 0.113 0.000 1.049 136 Y CB 1.575 40.141 38.460 0.176 0.000 1.296 136 Y HN 0.372 8.530 8.280 -0.203 0.000 0.470 137 T N 2.163 116.834 114.554 0.195 0.000 2.797 137 T HA 0.781 5.331 4.350 -0.025 -0.215 0.279 137 T C -0.516 174.300 174.700 0.193 0.000 0.991 137 T CA -0.711 61.441 62.100 0.087 0.000 0.979 137 T CB 1.196 70.109 68.868 0.075 0.000 0.943 137 T HN -0.018 8.402 8.240 0.300 0.000 0.444 138 K N 4.882 125.363 120.400 0.134 0.000 2.535 138 K HA 0.137 4.562 4.320 0.175 0.000 0.251 138 K C -1.114 175.550 176.600 0.107 0.000 0.942 138 K CA -0.589 55.805 56.287 0.178 0.000 0.798 138 K CB 2.924 35.608 32.500 0.306 0.000 1.267 138 K HN 0.347 8.628 8.250 0.052 0.000 0.434 139 D N 5.168 125.624 120.400 0.092 0.000 2.708 139 D HA -0.309 4.367 4.640 0.061 0.000 0.236 139 D C -0.115 176.214 176.300 0.049 0.000 1.146 139 D CA 1.143 55.182 54.000 0.066 0.000 0.662 139 D CB -1.290 39.550 40.800 0.066 0.000 1.059 139 D HN 0.654 9.084 8.370 0.100 0.000 0.428 140 G N -6.662 102.165 108.800 0.045 0.000 2.162 140 G HA2 -0.414 3.564 3.960 0.031 0.000 0.260 140 G HA3 -0.414 3.562 3.960 0.028 0.000 0.260 140 G C -0.606 174.305 174.900 0.018 0.000 0.976 140 G CA 0.092 45.211 45.100 0.030 0.000 0.655 140 G HN 0.195 8.487 8.290 0.054 0.031 0.533 141 K N 0.630 121.039 120.400 0.014 0.000 2.259 141 K HA 0.315 4.629 4.320 -0.011 0.000 0.249 141 K C -1.732 174.836 176.600 -0.053 0.000 0.942 141 K CA -2.011 54.270 56.287 -0.010 0.000 0.816 141 K CB 2.240 34.740 32.500 0.001 0.000 1.155 141 K HN -0.595 7.614 8.250 0.025 0.057 0.428 142 E N 3.616 123.770 120.200 -0.076 0.000 2.194 142 E HA 0.302 4.718 4.350 -0.148 -0.155 0.284 142 E C -0.569 175.901 176.600 -0.218 0.000 1.035 142 E CA -0.521 55.798 56.400 -0.135 0.000 0.836 142 E CB 0.695 30.340 29.700 -0.093 0.000 1.070 142 E HN 0.294 8.620 8.360 -0.057 0.000 0.401 143 I N 7.937 128.254 120.570 -0.421 0.000 2.441 143 I HA 0.185 4.144 4.170 -0.351 0.000 0.295 143 I C -1.009 174.773 176.117 -0.559 0.000 0.994 143 I CA -0.899 60.070 61.300 -0.551 0.000 1.144 143 I CB 3.110 40.596 38.000 -0.857 0.000 1.314 143 I HN 0.824 8.733 8.210 -0.503 0.000 0.445 144 T N 8.704 123.004 114.554 -0.423 0.000 2.727 144 T HA 0.378 4.660 4.350 -0.380 -0.160 0.298 144 T C 0.086 174.484 174.700 -0.503 0.000 0.942 144 T CA 0.556 62.419 62.100 -0.396 0.000 0.997 144 T CB 0.084 68.773 68.868 -0.300 0.000 0.917 144 T HN 0.532 8.554 8.240 -0.365 0.000 0.487 145 G N 4.147 112.469 108.800 -0.797 0.000 2.451 145 G HA2 0.765 4.506 3.960 -0.627 0.000 0.303 145 G HA3 0.765 3.548 3.960 -1.961 0.000 0.303 145 G C -2.329 172.097 174.900 -0.790 0.000 1.166 145 G CA -1.565 42.877 45.100 -1.097 0.000 0.884 145 G HN 0.346 8.094 8.290 -0.903 0.000 0.514 146 L N -6.588 114.435 121.223 -0.333 0.000 2.424 146 L HA 1.043 5.445 4.340 -0.194 -0.178 0.258 146 L C -2.461 174.449 176.870 0.067 0.000 0.995 146 L CA -1.504 53.245 54.840 -0.153 0.000 0.821 146 L CB 4.223 46.141 42.059 -0.234 0.000 1.383 146 L HN 0.417 8.499 8.230 -0.246 0.000 0.410 147 K N 0.823 121.231 120.400 0.014 0.000 2.502 147 K HA 0.424 4.803 4.320 0.099 0.000 0.254 147 K C -1.386 175.228 176.600 0.023 0.000 0.947 147 K CA -1.855 54.464 56.287 0.054 0.000 0.834 147 K CB 3.019 35.541 32.500 0.037 0.000 1.112 147 K HN 0.079 8.267 8.250 -0.104 0.000 0.427 148 L N 6.335 127.633 121.223 0.125 0.000 2.499 148 L HA -0.158 4.312 4.340 0.218 0.000 0.273 148 L C 0.691 177.671 176.870 0.184 0.000 1.195 148 L CA 0.246 55.208 54.840 0.204 0.000 0.882 148 L CB 0.023 42.256 42.059 0.289 0.000 1.133 148 L HN 0.397 8.716 8.230 0.150 0.000 0.483 149 G N 0.549 109.451 108.800 0.171 0.000 2.441 149 G HA2 0.035 4.004 3.960 0.014 0.000 0.243 149 G HA3 0.035 4.233 3.960 0.125 -0.163 0.243 149 G C 0.377 175.476 174.900 0.331 0.000 1.281 149 G CA -0.634 44.550 45.100 0.139 0.000 0.854 149 G HN -0.228 8.175 8.290 0.189 0.000 0.560 150 F N 2.877 122.883 119.950 0.095 0.000 2.234 150 F HA -0.169 4.453 4.527 0.158 0.000 0.299 150 F C 1.848 177.767 175.800 0.198 0.000 1.087 150 F CA 0.461 58.549 58.000 0.146 0.000 1.340 150 F CB -0.699 38.361 39.000 0.099 0.000 1.031 150 F HN 0.317 8.747 8.300 0.163 -0.033 0.500 151 T N 2.688 117.427 114.554 0.309 0.000 2.777 151 T HA -0.317 4.136 4.350 0.172 0.000 0.266 151 T C 1.550 176.351 174.700 0.168 0.000 1.040 151 T CA 4.636 66.851 62.100 0.192 0.000 1.141 151 T CB 0.038 68.986 68.868 0.134 0.000 0.868 151 T HN -0.136 8.706 8.240 0.275 -0.436 0.444 152 L N 2.749 124.088 121.223 0.194 0.000 2.012 152 L HA -0.245 4.184 4.340 0.148 0.000 0.210 152 L C 1.876 178.856 176.870 0.183 0.000 1.073 152 L CA 3.177 58.122 54.840 0.175 0.000 0.748 152 L CB -0.300 41.877 42.059 0.197 0.000 0.891 152 L HN -0.538 8.079 8.230 0.205 -0.264 0.431 153 L N -2.554 118.836 121.223 0.278 0.000 2.012 153 L HA -0.537 4.056 4.340 0.421 0.000 0.210 153 L C 1.979 179.038 176.870 0.315 0.000 1.073 153 L CA 3.481 58.550 54.840 0.381 0.000 0.748 153 L CB -0.745 41.552 42.059 0.397 0.000 0.891 153 L HN -0.046 8.370 8.230 0.309 0.000 0.431 154 R N -1.867 118.704 120.500 0.118 0.000 2.092 154 R HA -0.416 3.549 4.340 -0.626 0.000 0.231 154 R C 2.011 178.237 176.300 -0.122 0.000 1.119 154 R CA 3.656 59.560 56.100 -0.326 0.000 0.970 154 R CB 0.102 30.086 30.300 -0.527 0.000 0.864 154 R HN -0.263 8.128 8.270 0.202 0.000 0.440 155 E N -4.457 115.736 120.200 -0.011 0.000 2.251 155 E HA -0.069 4.269 4.350 -0.020 0.000 0.194 155 E C 1.625 178.238 176.600 0.020 0.000 0.964 155 E CA 2.318 58.720 56.400 0.004 0.000 0.868 155 E CB 0.856 30.573 29.700 0.028 0.000 0.828 155 E HN -0.124 8.252 8.360 0.026 0.000 0.481 156 N N -1.692 117.022 118.700 0.023 0.000 2.460 156 N HA 0.085 4.807 4.740 -0.031 0.000 0.193 156 N C 0.753 176.183 175.510 -0.134 0.000 1.080 156 N CA 2.417 55.437 53.050 -0.049 0.000 0.869 156 N CB 1.586 40.023 38.487 -0.082 0.000 1.201 156 N HN -0.118 8.290 8.380 0.047 0.000 0.457 157 L N -1.192 119.990 121.223 -0.068 0.000 2.286 157 L HA -0.054 4.048 4.340 -0.397 0.000 0.203 157 L C -0.256 176.569 176.870 -0.075 0.000 1.068 157 L CA 2.172 56.922 54.840 -0.152 0.000 0.811 157 L CB 1.183 43.202 42.059 -0.068 0.000 0.989 157 L HN -0.720 7.537 8.230 0.044 0.000 0.467 158 Y N -5.236 115.118 120.300 0.091 0.000 2.751 158 Y HA 0.373 4.989 4.550 0.110 0.000 0.289 158 Y C 0.391 176.296 175.900 0.008 0.000 1.110 158 Y CA -1.278 56.877 58.100 0.090 0.000 1.251 158 Y CB -1.327 37.230 38.460 0.162 0.000 1.178 158 Y HN -0.195 8.282 8.280 0.329 0.000 0.540 159 T N 2.050 116.648 114.554 0.073 0.000 2.620 159 T HA -0.312 4.352 4.350 0.004 -0.311 0.267 159 T C 0.669 175.379 174.700 0.016 0.000 1.044 159 T CA 4.389 66.502 62.100 0.022 0.000 1.161 159 T CB -0.130 68.744 68.868 0.010 0.000 0.862 159 T HN -0.022 8.174 8.240 0.053 0.076 0.438 160 L N -2.996 118.242 121.223 0.024 0.000 2.769 160 L HA 0.180 4.527 4.340 0.012 0.000 0.240 160 L C 0.396 177.290 176.870 0.041 0.000 1.163 160 L CA -0.452 54.400 54.840 0.019 0.000 0.962 160 L CB 0.299 42.359 42.059 0.002 0.000 1.258 160 L HN -0.295 8.287 8.230 0.024 -0.337 0.513 161 C N -1.013 118.340 119.300 0.088 0.000 2.468 161 C HA -0.013 4.510 4.460 0.105 0.000 0.277 161 C C 0.172 175.235 174.990 0.122 0.000 1.400 161 C CA 1.164 60.262 59.018 0.133 0.000 1.770 161 C CB -0.002 27.916 27.740 0.297 0.000 1.905 161 C HN -0.507 7.619 8.230 0.105 0.167 0.519 162 G N -2.346 106.509 108.800 0.092 0.000 2.690 162 G HA2 -0.216 3.775 3.960 0.051 0.000 0.686 162 G HA3 -0.216 3.789 3.960 0.075 0.000 0.686 162 G C -2.500 172.464 174.900 0.107 0.000 1.277 162 G CA -0.553 44.593 45.100 0.077 0.000 0.799 162 G HN -0.733 7.601 8.290 0.074 0.000 0.613 163 P HA -0.099 4.438 4.420 0.195 0.000 0.222 163 P C 0.914 178.263 177.300 0.082 0.000 1.153 163 P CA 1.582 64.754 63.100 0.119 0.000 0.798 163 P CB 0.384 32.128 31.700 0.074 0.000 0.796 164 E N -0.643 119.589 120.200 0.053 0.000 2.072 164 E HA -0.321 4.018 4.350 -0.019 0.000 0.191 164 E C 2.336 178.942 176.600 0.010 0.000 0.985 164 E CA 3.709 60.119 56.400 0.016 0.000 0.801 164 E CB -0.834 28.884 29.700 0.030 0.000 0.750 164 E HN 0.396 8.738 8.360 0.060 0.055 0.452 165 E N -0.534 119.720 120.200 0.089 0.000 2.072 165 E HA -0.278 4.157 4.350 0.143 0.000 0.190 165 E C 2.036 178.658 176.600 0.036 0.000 0.982 165 E CA 2.698 59.187 56.400 0.148 0.000 0.803 165 E CB 0.051 29.914 29.700 0.272 0.000 0.755 165 E HN -0.414 7.874 8.360 0.111 0.139 0.453 166 Y N 0.466 120.696 120.300 -0.117 0.000 2.207 166 Y HA -0.447 3.743 4.550 -0.600 0.000 0.287 166 Y C 1.507 177.181 175.900 -0.377 0.000 1.156 166 Y CA 2.575 60.477 58.100 -0.331 0.000 1.182 166 Y CB 0.045 38.399 38.460 -0.177 0.000 0.979 166 Y HN -0.455 7.948 8.280 0.204 0.000 0.521 167 E N -0.288 119.674 120.200 -0.398 0.000 2.058 167 E HA -0.382 3.563 4.350 -0.674 0.000 0.194 167 E C 2.302 178.591 176.600 -0.518 0.000 0.997 167 E CA 2.940 59.043 56.400 -0.495 0.000 0.801 167 E CB -0.776 28.757 29.700 -0.278 0.000 0.746 167 E HN -0.354 7.890 8.360 -0.175 0.011 0.450 168 L N -1.709 119.267 121.223 -0.412 0.000 2.042 168 L HA -0.376 3.652 4.340 -0.519 0.000 0.210 168 L C 2.082 178.513 176.870 -0.731 0.000 1.076 168 L CA 3.156 57.686 54.840 -0.517 0.000 0.749 168 L CB -0.304 41.525 42.059 -0.383 0.000 0.893 168 L HN -0.604 7.443 8.230 -0.305 0.000 0.432 169 A N -1.765 120.675 122.820 -0.633 0.000 1.902 169 A HA -0.355 3.662 4.320 -0.506 0.000 0.217 169 A C 2.095 179.309 177.584 -0.615 0.000 1.181 169 A CA 3.056 54.747 52.037 -0.576 0.000 0.623 169 A CB -0.732 17.819 19.000 -0.748 0.000 0.818 169 A HN -0.409 7.411 8.150 -0.550 0.000 0.443 170 K N -2.381 117.512 120.400 -0.846 0.000 2.097 170 K HA -0.288 3.385 4.320 -1.078 0.000 0.206 170 K C 2.275 178.550 176.600 -0.540 0.000 1.049 170 K CA 2.644 58.337 56.287 -0.989 0.000 0.933 170 K CB -0.059 31.604 32.500 -1.396 0.000 0.717 170 K HN -0.476 7.207 8.250 -0.945 0.000 0.442 171 M N -2.692 116.603 119.600 -0.510 0.000 2.200 171 M HA -0.277 4.034 4.480 -0.282 0.000 0.265 171 M C 1.717 177.796 176.300 -0.369 0.000 1.066 171 M CA 3.164 58.237 55.300 -0.378 0.000 1.127 171 M CB 0.617 32.982 32.600 -0.391 0.000 1.379 171 M HN -0.450 7.490 8.290 -0.584 0.000 0.420 172 L N -5.906 114.987 121.223 -0.550 0.000 2.575 172 L HA 0.208 4.293 4.340 -0.425 0.000 0.228 172 L C 0.545 177.250 176.870 -0.275 0.000 1.075 172 L CA -0.323 54.161 54.840 -0.593 0.000 0.867 172 L CB 1.101 42.355 42.059 -1.342 0.000 1.097 172 L HN -0.411 7.428 8.230 -0.650 0.000 0.485 173 T N 0.312 114.755 114.554 -0.186 0.000 2.940 173 T HA -0.128 4.456 4.350 0.100 -0.174 0.309 173 T C -0.354 174.366 174.700 0.033 0.000 1.056 173 T CA 0.966 63.069 62.100 0.004 0.000 1.137 173 T CB 0.730 69.582 68.868 -0.025 0.000 0.976 173 T HN -0.496 7.568 8.240 -0.293 0.000 0.547 174 R N 1.489 122.037 120.500 0.080 0.000 2.892 174 R HA 0.315 4.683 4.340 0.047 0.000 0.265 174 R C -0.754 175.606 176.300 0.100 0.000 1.025 174 R CA -1.996 54.148 56.100 0.074 0.000 0.982 174 R CB 3.837 34.184 30.300 0.079 0.000 1.185 174 R HN -0.169 8.164 8.270 0.104 0.000 0.484 175 K N -0.537 119.917 120.400 0.091 0.000 2.436 175 K HA 0.039 4.632 4.320 0.175 -0.168 0.275 175 K C -0.054 176.634 176.600 0.147 0.000 0.999 175 K CA 0.226 56.609 56.287 0.161 0.000 0.980 175 K CB 0.247 32.864 32.500 0.195 0.000 0.919 175 K HN 0.135 8.420 8.250 0.057 0.000 0.484 176 G N 2.154 111.022 108.800 0.113 0.000 2.870 176 G HA2 0.317 4.269 3.960 -0.015 0.000 0.299 176 G HA3 0.317 4.274 3.960 -0.006 0.000 0.299 176 G C -2.905 171.893 174.900 -0.171 0.000 1.324 176 G CA -1.082 44.011 45.100 -0.013 0.000 0.808 176 G HN 0.338 8.708 8.290 0.133 0.000 0.535 177 S N -1.896 113.573 115.700 -0.386 0.000 2.537 177 S HA 0.257 4.468 4.470 -0.432 0.000 0.271 177 S C -0.957 173.326 174.600 -0.529 0.000 1.148 177 S CA -0.698 57.127 58.200 -0.626 0.000 0.868 177 S CB 1.827 64.312 63.200 -1.191 0.000 1.115 177 S HN -0.054 8.018 8.310 -0.397 0.000 0.461 178 L N 1.803 122.876 121.223 -0.250 0.000 2.418 178 L HA 0.049 4.601 4.340 0.352 0.000 0.218 178 L C 0.578 177.649 176.870 0.336 0.000 1.125 178 L CA 0.997 55.917 54.840 0.134 0.000 0.835 178 L CB 0.810 42.941 42.059 0.120 0.000 0.953 178 L HN 0.705 8.776 8.230 -0.265 0.000 0.454 179 F N -5.461 114.555 119.950 0.109 0.000 3.067 179 F HA -0.497 4.040 4.527 0.017 0.000 0.279 179 F C 0.462 176.331 175.800 0.115 0.000 0.945 179 F CA 0.513 58.578 58.000 0.108 0.000 0.948 179 F CB -3.120 36.005 39.000 0.207 0.000 0.898 179 F HN -0.682 7.315 8.300 -0.430 0.045 0.746 180 Q N 0.374 120.257 119.800 0.139 0.000 2.050 180 Q HA -0.506 3.919 4.340 0.141 0.000 0.202 180 Q C 1.073 177.117 176.000 0.073 0.000 0.980 180 Q CA 4.026 59.887 55.803 0.097 0.000 0.840 180 Q CB 0.166 28.910 28.738 0.009 0.000 0.898 180 Q HN 0.345 8.641 8.270 0.043 0.000 0.424 181 N N -2.077 116.646 118.700 0.039 0.000 2.309 181 N HA -0.221 4.529 4.740 0.017 0.000 0.182 181 N C 1.549 177.093 175.510 0.057 0.000 1.018 181 N CA 2.556 55.621 53.050 0.025 0.000 0.876 181 N CB -1.346 37.133 38.487 -0.013 0.000 0.972 181 N HN 0.046 8.435 8.380 0.015 0.000 0.434 182 I N 0.182 120.819 120.570 0.111 0.000 2.277 182 I HA -0.243 3.977 4.170 0.082 0.000 0.243 182 I C 2.300 178.479 176.117 0.102 0.000 1.094 182 I CA 1.292 62.663 61.300 0.119 0.000 1.393 182 I CB -0.937 37.172 38.000 0.181 0.000 1.078 182 I HN -0.897 7.371 8.210 0.143 0.028 0.417 183 L N -0.296 121.009 121.223 0.137 0.000 2.081 183 L HA -0.440 3.928 4.340 0.046 0.000 0.212 183 L C 2.867 179.747 176.870 0.017 0.000 1.080 183 L CA 3.146 58.029 54.840 0.071 0.000 0.754 183 L CB -0.973 41.138 42.059 0.087 0.000 0.893 183 L HN 0.159 8.509 8.230 0.199 0.000 0.433 184 A N -3.042 119.800 122.820 0.037 0.000 2.019 184 A HA -0.119 4.212 4.320 0.017 0.000 0.219 184 A C 0.794 178.401 177.584 0.038 0.000 1.164 184 A CA 2.222 54.276 52.037 0.028 0.000 0.644 184 A CB -0.234 18.785 19.000 0.032 0.000 0.805 184 A HN -0.278 7.795 8.150 0.054 0.110 0.449 185 K N -4.638 115.784 120.400 0.037 0.000 2.358 185 K HA 0.071 4.422 4.320 0.052 0.000 0.197 185 K C -0.351 176.270 176.600 0.035 0.000 1.025 185 K CA -0.606 55.705 56.287 0.041 0.000 1.104 185 K CB 0.751 33.271 32.500 0.033 0.000 0.855 185 K HN -0.629 7.608 8.250 0.037 0.036 0.531 186 R N 1.810 122.317 120.500 0.011 0.000 2.543 186 R HA 0.093 4.430 4.340 -0.006 0.000 0.277 186 R C -2.181 174.118 176.300 -0.001 0.000 1.074 186 R CA -1.402 54.685 56.100 -0.021 0.000 1.076 186 R CB 0.190 30.442 30.300 -0.080 0.000 0.993 186 R HN -0.881 7.217 8.270 0.004 0.174 0.459 187 P HA -0.086 4.375 4.420 0.068 0.000 0.266 187 P C -1.225 176.092 177.300 0.029 0.000 1.193 187 P CA 0.039 63.158 63.100 0.032 0.000 0.770 187 P CB 0.462 32.157 31.700 -0.009 0.000 0.836 188 F N -0.136 119.692 119.950 -0.203 0.000 2.545 188 F HA -0.150 4.164 4.527 -0.355 0.000 0.348 188 F C 1.026 176.677 175.800 -0.248 0.000 1.163 188 F CA -0.929 56.921 58.000 -0.250 0.000 1.331 188 F CB 0.104 39.030 39.000 -0.123 0.000 1.138 188 F HN -0.318 8.171 8.300 0.316 0.000 0.602 189 F N 2.080 122.111 119.950 0.134 0.000 2.563 189 F HA -0.052 4.690 4.527 0.084 -0.164 0.363 189 F C 1.146 177.052 175.800 0.175 0.000 1.123 189 F CA 0.545 58.609 58.000 0.106 0.000 1.307 189 F CB 0.049 39.060 39.000 0.019 0.000 1.115 189 F HN 0.436 8.505 8.300 -0.385 0.000 0.592 190 T N -0.180 114.592 114.554 0.363 0.000 2.909 190 T HA 0.203 4.670 4.350 0.195 0.000 0.289 190 T C 0.919 175.753 174.700 0.224 0.000 1.005 190 T CA -1.219 61.020 62.100 0.232 0.000 1.084 190 T CB 2.318 71.282 68.868 0.160 0.000 0.975 190 T HN 0.171 9.114 8.240 0.403 -0.461 0.509 191 K N 3.668 124.157 120.400 0.148 0.000 2.097 191 K HA -0.307 4.089 4.320 0.127 0.000 0.205 191 K C 1.608 178.260 176.600 0.087 0.000 1.050 191 K CA 3.505 59.860 56.287 0.112 0.000 0.938 191 K CB -0.382 32.162 32.500 0.073 0.000 0.718 191 K HN 0.563 8.889 8.250 0.126 0.000 0.442 192 E N -2.560 117.687 120.200 0.077 0.000 2.204 192 E HA -0.166 4.210 4.350 0.044 0.000 0.194 192 E C 0.466 177.106 176.600 0.067 0.000 0.989 192 E CA 1.700 58.134 56.400 0.058 0.000 0.824 192 E CB -0.318 29.410 29.700 0.045 0.000 0.756 192 E HN 0.095 8.503 8.360 0.080 0.000 0.477 193 G N -1.488 107.373 108.800 0.102 0.000 2.756 193 G HA2 0.005 4.021 3.960 0.093 0.000 0.203 193 G HA3 0.005 4.200 3.960 0.141 -0.151 0.203 193 G C -0.103 174.894 174.900 0.162 0.000 2.015 193 G CA 0.062 45.236 45.100 0.123 0.000 0.835 193 G HN -0.697 7.617 8.290 0.121 0.049 0.648 194 Y N 4.838 125.192 120.300 0.090 0.000 2.114 194 Y HA -0.389 4.201 4.550 0.067 0.000 0.282 194 Y C 2.296 178.270 175.900 0.124 0.000 1.165 194 Y CA 2.329 60.480 58.100 0.085 0.000 1.148 194 Y CB 0.026 38.517 38.460 0.050 0.000 0.972 194 Y HN 0.091 8.925 8.280 0.339 -0.350 0.504 195 G N -4.607 104.199 108.800 0.010 0.000 2.470 195 G HA2 -0.410 3.480 3.960 -0.117 0.000 0.220 195 G HA3 -0.410 3.653 3.960 0.053 -0.071 0.220 195 G C 1.007 175.863 174.900 -0.073 0.000 1.121 195 G CA 1.691 46.761 45.100 -0.049 0.000 0.766 195 G HN 0.101 8.489 8.290 0.163 0.000 0.553 196 S N 0.014 115.693 115.700 -0.034 0.000 2.496 196 S HA -0.126 4.325 4.470 -0.032 0.000 0.224 196 S C 0.728 175.298 174.600 -0.050 0.000 0.996 196 S CA 0.797 58.980 58.200 -0.028 0.000 0.927 196 S CB 0.280 63.484 63.200 0.006 0.000 0.774 196 S HN -0.508 7.759 8.310 -0.001 0.043 0.524 197 I N -2.348 118.180 120.570 -0.069 0.000 2.779 197 I HA 0.064 4.212 4.170 -0.036 0.000 0.285 197 I C -0.539 175.517 176.117 -0.102 0.000 1.134 197 I CA 0.287 61.553 61.300 -0.056 0.000 1.398 197 I CB 0.966 38.962 38.000 -0.006 0.000 1.404 197 I HN -0.943 7.215 8.210 -0.088 0.000 0.587 198 K N 4.324 124.651 120.400 -0.122 0.000 2.350 198 K HA 0.034 4.416 4.320 -0.188 -0.175 0.279 198 K C -0.279 176.219 176.600 -0.170 0.000 1.027 198 K CA -0.160 55.994 56.287 -0.222 0.000 0.969 198 K CB -0.095 32.121 32.500 -0.474 0.000 0.954 198 K HN 0.284 8.471 8.250 -0.104 0.000 0.474 199 K N 3.068 123.397 120.400 -0.117 0.000 2.463 199 K HA 0.679 5.340 4.320 0.256 -0.187 0.255 199 K C -1.374 175.292 176.600 0.109 0.000 0.942 199 K CA -0.967 55.384 56.287 0.106 0.000 0.814 199 K CB 2.710 35.242 32.500 0.053 0.000 1.122 199 K HN 0.181 8.648 8.250 -0.163 -0.315 0.425 200 I N 3.598 124.322 120.570 0.257 0.000 2.362 200 I HA 0.361 4.864 4.170 0.249 -0.184 0.289 200 I C -1.695 174.687 176.117 0.443 0.000 0.994 200 I CA -1.056 60.422 61.300 0.296 0.000 1.158 200 I CB 2.316 40.483 38.000 0.278 0.000 1.315 200 I HN 0.619 9.022 8.210 0.323 0.000 0.451 201 Y N 9.017 129.478 120.300 0.268 0.000 2.369 201 Y HA 0.212 4.971 4.550 0.348 0.000 0.337 201 Y C -2.252 173.857 175.900 0.348 0.000 0.961 201 Y CA -1.538 56.720 58.100 0.264 0.000 1.186 201 Y CB 2.118 40.615 38.460 0.061 0.000 1.139 201 Y HN 0.569 9.103 8.280 0.424 0.000 0.494 202 V N 8.458 128.462 119.914 0.149 0.000 2.459 202 V HA 0.862 5.449 4.120 0.386 -0.236 0.295 202 V C -1.293 174.900 176.094 0.165 0.000 1.029 202 V CA -1.895 60.534 62.300 0.216 0.000 0.874 202 V CB 1.967 33.843 31.823 0.088 0.000 0.985 202 V HN 0.648 8.825 8.190 -0.022 0.000 0.438 203 W N 3.936 125.228 121.300 -0.014 0.000 3.005 203 W HA 0.790 5.554 4.660 -0.111 -0.171 0.343 203 W C -2.973 173.551 176.519 0.009 0.000 1.243 203 W CA -1.767 55.570 57.345 -0.013 0.000 1.186 203 W CB 2.936 32.499 29.460 0.170 0.000 1.453 203 W HN 0.611 8.990 8.180 0.332 0.000 0.575 204 T N 0.640 115.117 114.554 -0.129 0.000 2.863 204 T HA 0.483 4.552 4.350 -0.644 -0.105 0.285 204 T C 0.049 174.580 174.700 -0.280 0.000 1.009 204 T CA -2.376 59.497 62.100 -0.377 0.000 0.989 204 T CB 2.717 71.462 68.868 -0.204 0.000 1.004 204 T HN -0.123 8.415 8.240 0.100 -0.238 0.455 205 D N 6.798 126.890 120.400 -0.513 0.000 2.338 205 D HA -0.088 4.632 4.640 0.134 0.000 0.239 205 D C 0.192 176.497 176.300 0.009 0.000 1.095 205 D CA 0.497 54.411 54.000 -0.144 0.000 0.888 205 D CB -1.421 39.268 40.800 -0.186 0.000 0.899 205 D HN 0.722 8.702 8.370 -0.650 0.000 0.525 206 Q N -3.213 116.578 119.800 -0.016 0.000 2.198 206 Q HA 0.091 4.448 4.340 0.028 0.000 0.209 206 Q C -0.787 175.236 176.000 0.037 0.000 0.848 206 Q CA -0.675 55.134 55.803 0.010 0.000 0.974 206 Q CB 0.855 29.576 28.738 -0.028 0.000 1.115 206 Q HN -0.525 7.612 8.270 -0.069 0.092 0.494 207 D N 1.529 121.981 120.400 0.087 0.000 2.346 207 D HA -0.070 4.761 4.640 0.071 -0.149 0.260 207 D C -0.813 175.538 176.300 0.085 0.000 1.252 207 D CA 0.168 54.231 54.000 0.105 0.000 0.895 207 D CB 0.437 41.350 40.800 0.188 0.000 1.097 207 D HN -0.901 7.539 8.370 0.118 0.000 0.489 208 E N 5.260 125.467 120.200 0.013 0.000 2.403 208 E HA 0.003 4.384 4.350 0.052 0.000 0.187 208 E C -0.330 176.181 176.600 -0.148 0.000 1.073 208 E CA 1.096 57.495 56.400 -0.002 0.000 0.888 208 E CB -0.074 29.637 29.700 0.018 0.000 1.035 208 E HN 0.296 8.657 8.360 0.002 0.000 0.471 209 I N -1.920 118.482 120.570 -0.280 0.000 3.873 209 I HA 0.013 3.443 4.170 -1.233 0.000 0.284 209 I C -0.913 175.055 176.117 -0.248 0.000 1.186 209 I CA 0.949 61.802 61.300 -0.745 0.000 1.362 209 I CB 2.947 40.340 38.000 -1.011 0.000 1.432 209 I HN -0.025 8.634 8.210 -0.161 -0.545 0.454 210 F N 1.506 121.336 119.950 -0.199 0.000 2.499 210 F HA 0.042 4.589 4.527 0.033 0.000 0.353 210 F C -0.804 175.128 175.800 0.219 0.000 1.196 210 F CA -1.601 56.457 58.000 0.096 0.000 1.244 210 F CB -2.046 37.124 39.000 0.283 0.000 1.577 210 F HN -0.364 8.677 8.300 0.197 -0.623 0.614 211 L N 1.254 122.662 121.223 0.308 0.000 2.476 211 L HA 0.160 4.957 4.340 0.259 -0.302 0.264 211 L C -0.165 176.905 176.870 0.334 0.000 1.224 211 L CA -1.493 53.514 54.840 0.279 0.000 0.821 211 L CB -0.618 41.572 42.059 0.219 0.000 1.101 211 L HN -0.801 7.564 8.230 0.224 0.000 0.488 212 P HA -0.281 4.437 4.420 0.497 0.000 0.216 212 P C 1.510 178.928 177.300 0.196 0.000 1.150 212 P CA 3.079 66.395 63.100 0.361 0.000 0.837 212 P CB 0.053 31.973 31.700 0.366 0.000 0.786 213 E N -2.873 117.434 120.200 0.177 0.000 2.085 213 E HA -0.289 4.129 4.350 0.113 0.000 0.194 213 E C 2.117 178.805 176.600 0.147 0.000 0.994 213 E CA 3.209 59.689 56.400 0.132 0.000 0.801 213 E CB -0.524 29.239 29.700 0.105 0.000 0.743 213 E HN 0.452 8.923 8.360 0.185 0.000 0.453 214 F N 0.721 120.681 119.950 0.017 0.000 2.113 214 F HA -0.354 4.136 4.527 -0.062 0.000 0.297 214 F C 1.580 177.424 175.800 0.073 0.000 1.103 214 F CA 3.064 61.057 58.000 -0.012 0.000 1.248 214 F CB 0.054 38.991 39.000 -0.105 0.000 0.999 214 F HN -0.700 7.779 8.300 0.297 0.000 0.475 215 Q N -0.706 119.028 119.800 -0.110 0.000 2.084 215 Q HA -0.350 3.760 4.340 -0.383 0.000 0.202 215 Q C 2.732 178.389 176.000 -0.573 0.000 0.978 215 Q CA 3.253 58.856 55.803 -0.334 0.000 0.844 215 Q CB 0.171 28.813 28.738 -0.161 0.000 0.898 215 Q HN -0.268 8.075 8.270 0.122 0.000 0.426 216 L N -1.992 118.964 121.223 -0.447 0.000 2.141 216 L HA -0.297 3.714 4.340 -0.547 0.000 0.209 216 L C 1.828 178.558 176.870 -0.234 0.000 1.094 216 L CA 2.596 57.209 54.840 -0.380 0.000 0.763 216 L CB -0.449 41.509 42.059 -0.167 0.000 0.908 216 L HN 0.012 8.058 8.230 -0.307 0.000 0.437 217 W N 0.076 121.183 121.300 -0.321 0.000 2.358 217 W HA -0.424 4.117 4.660 -0.197 0.000 0.303 217 W C 1.162 177.477 176.519 -0.341 0.000 1.208 217 W CA 4.273 61.458 57.345 -0.267 0.000 1.274 217 W CB -0.004 29.333 29.460 -0.204 0.000 1.138 217 W HN -0.477 7.729 8.180 0.043 0.000 0.515 218 Q N -2.212 117.375 119.800 -0.355 0.000 2.084 218 Q HA -0.440 3.470 4.340 -0.716 0.000 0.202 218 Q C 2.699 178.331 176.000 -0.614 0.000 0.978 218 Q CA 3.527 58.988 55.803 -0.569 0.000 0.844 218 Q CB 0.064 28.504 28.738 -0.497 0.000 0.898 218 Q HN -0.360 7.662 8.270 -0.278 0.081 0.426 219 I N -1.085 119.069 120.570 -0.693 0.000 2.226 219 I HA -0.442 3.307 4.170 -0.702 0.000 0.245 219 I C 1.976 177.829 176.117 -0.440 0.000 1.100 219 I CA 3.851 64.759 61.300 -0.653 0.000 1.374 219 I CB 0.159 37.742 38.000 -0.694 0.000 1.057 219 I HN -0.417 7.366 8.210 -0.711 0.000 0.413 220 E N -1.192 118.767 120.200 -0.402 0.000 2.106 220 E HA -0.331 3.867 4.350 -0.253 0.000 0.192 220 E C 1.816 178.215 176.600 -0.336 0.000 0.984 220 E CA 2.378 58.589 56.400 -0.315 0.000 0.806 220 E CB -0.196 29.347 29.700 -0.262 0.000 0.750 220 E HN -0.580 7.526 8.360 -0.422 0.000 0.458 221 N N -1.779 116.620 118.700 -0.501 0.000 2.188 221 N HA -0.183 4.331 4.740 -0.377 0.000 0.184 221 N C 0.231 175.656 175.510 -0.143 0.000 1.018 221 N CA 2.186 54.968 53.050 -0.445 0.000 0.858 221 N CB 0.911 38.890 38.487 -0.846 0.000 0.989 221 N HN -0.508 7.407 8.380 -0.630 0.087 0.426 222 Y N -1.564 118.538 120.300 -0.330 0.000 2.422 222 Y HA 0.061 4.499 4.550 -0.186 0.000 0.344 222 Y C -2.031 173.717 175.900 -0.254 0.000 1.097 222 Y CA -1.764 56.195 58.100 -0.234 0.000 1.307 222 Y CB 1.297 39.644 38.460 -0.188 0.000 1.102 222 Y HN -0.632 7.489 8.280 -0.223 0.025 0.520 223 K N 8.329 128.528 120.400 -0.334 0.000 2.419 223 K HA 0.097 4.388 4.320 -0.302 -0.152 0.282 223 K C -1.558 174.800 176.600 -0.403 0.000 1.056 223 K CA -1.306 54.784 56.287 -0.328 0.000 1.035 223 K CB 0.160 32.519 32.500 -0.234 0.000 0.921 223 K HN 0.031 8.127 8.250 -0.256 0.000 0.472 224 P HA 0.024 4.260 4.420 -0.306 0.000 0.272 224 P C -0.956 176.246 177.300 -0.164 0.000 1.230 224 P CA -0.718 62.236 63.100 -0.243 0.000 0.788 224 P CB 0.759 32.387 31.700 -0.119 0.000 0.949 225 D N 0.062 120.392 120.400 -0.116 0.000 2.178 225 D HA -0.209 4.393 4.640 -0.063 0.000 0.202 225 D C 0.108 176.418 176.300 0.017 0.000 0.974 225 D CA 2.464 56.436 54.000 -0.047 0.000 0.841 225 D CB 0.680 41.460 40.800 -0.033 0.000 0.953 225 D HN 0.170 8.465 8.370 -0.126 0.000 0.478 226 K N -2.875 117.548 120.400 0.037 0.000 2.542 226 K HA 0.203 4.510 4.320 -0.021 0.000 0.259 226 K C -2.731 173.906 176.600 0.061 0.000 0.932 226 K CA -1.041 55.263 56.287 0.029 0.000 0.820 226 K CB 2.946 35.507 32.500 0.102 0.000 1.345 226 K HN -0.754 7.494 8.250 0.039 0.025 0.432 227 V N 4.103 124.012 119.914 -0.008 0.000 2.540 227 V HA 0.683 5.180 4.120 0.291 -0.203 0.302 227 V C -0.671 175.440 176.094 0.028 0.000 1.035 227 V CA -1.315 61.068 62.300 0.138 0.000 0.873 227 V CB 1.776 33.684 31.823 0.141 0.000 0.992 227 V HN 0.172 8.311 8.190 -0.085 0.000 0.428 228 Y N 6.501 126.958 120.300 0.262 0.000 2.341 228 Y HA 0.172 4.807 4.550 0.141 0.000 0.338 228 Y C -1.708 174.301 175.900 0.181 0.000 0.965 228 Y CA -1.318 56.889 58.100 0.178 0.000 1.108 228 Y CB 3.072 41.604 38.460 0.120 0.000 1.180 228 Y HN 0.575 9.177 8.280 0.536 0.000 0.458 229 K N 4.516 125.025 120.400 0.182 0.000 2.240 229 K HA 0.526 4.835 4.320 -0.330 -0.187 0.271 229 K C -0.972 175.551 176.600 -0.128 0.000 1.018 229 K CA -1.247 54.948 56.287 -0.154 0.000 0.874 229 K CB 1.761 34.112 32.500 -0.247 0.000 1.098 229 K HN 0.241 8.594 8.250 0.172 0.000 0.458 230 V N 8.270 128.064 119.914 -0.201 0.000 2.407 230 V HA 0.128 4.311 4.120 -0.092 -0.118 0.278 230 V C -0.755 175.223 176.094 -0.193 0.000 1.037 230 V CA -1.533 60.678 62.300 -0.148 0.000 0.900 230 V CB 0.696 32.434 31.823 -0.141 0.000 0.983 230 V HN 0.725 8.751 8.190 -0.273 0.000 0.459 231 E N 7.194 127.314 120.200 -0.133 0.000 2.338 231 E HA -0.042 4.213 4.350 -0.158 0.000 0.272 231 E C 0.218 176.756 176.600 -0.103 0.000 1.029 231 E CA -0.140 56.186 56.400 -0.124 0.000 0.872 231 E CB 0.517 30.168 29.700 -0.083 0.000 1.015 231 E HN 0.061 8.361 8.360 -0.100 0.000 0.417 232 G N 2.866 111.605 108.800 -0.101 0.000 2.598 232 G HA2 -0.353 3.702 3.960 -0.065 0.000 0.244 232 G HA3 -0.353 3.570 3.960 -0.062 0.000 0.244 232 G C -1.004 173.847 174.900 -0.081 0.000 1.302 232 G CA -0.293 44.763 45.100 -0.075 0.000 0.903 232 G HN 0.127 8.350 8.290 -0.112 0.000 0.575 233 G N 0.358 109.121 108.800 -0.062 0.000 2.601 233 G HA2 -0.365 3.565 3.960 -0.051 0.000 0.252 233 G HA3 -0.365 3.548 3.960 -0.080 0.000 0.252 233 G C -1.643 173.223 174.900 -0.057 0.000 1.294 233 G CA 0.162 45.224 45.100 -0.063 0.000 0.912 233 G HN -0.046 8.214 8.290 -0.051 0.000 0.574 234 D N -2.098 118.261 120.400 -0.068 0.000 2.812 234 D HA 0.259 5.049 4.640 -0.029 -0.168 0.318 234 D C -0.680 175.574 176.300 -0.076 0.000 1.234 234 D CA -1.760 52.212 54.000 -0.048 0.000 0.989 234 D CB 1.819 42.602 40.800 -0.028 0.000 1.442 234 D HN -0.601 7.717 8.370 -0.087 0.000 0.537 235 H N -1.048 117.928 119.070 -0.156 0.000 2.394 235 H HA -0.339 4.408 4.556 -0.184 -0.301 0.297 235 H C 0.859 176.038 175.328 -0.248 0.000 1.113 235 H CA 3.247 59.165 56.048 -0.216 0.000 1.277 235 H CB 0.303 29.900 29.762 -0.276 0.000 1.370 235 H HN 0.244 8.555 8.280 0.051 0.000 0.506 236 K N -0.171 119.955 120.400 -0.456 0.000 2.535 236 K HA 0.158 4.223 4.320 -0.596 -0.103 0.242 236 K C -0.296 176.168 176.600 -0.227 0.000 1.210 236 K CA -2.066 53.941 56.287 -0.465 0.000 1.178 236 K CB -2.010 30.194 32.500 -0.494 0.000 1.778 236 K HN -0.645 7.552 8.250 -0.279 -0.114 0.372 237 L N 0.795 121.907 121.223 -0.186 0.000 2.187 237 L HA -0.352 3.907 4.340 -0.134 0.000 0.213 237 L C 1.571 178.442 176.870 0.001 0.000 1.100 237 L CA 2.758 57.514 54.840 -0.139 0.000 0.765 237 L CB -0.135 41.729 42.059 -0.325 0.000 0.904 237 L HN -0.494 7.479 8.230 -0.249 0.108 0.437 238 Q N -3.240 116.623 119.800 0.105 0.000 2.436 238 Q HA -0.233 4.181 4.340 0.123 0.000 0.209 238 Q C -0.324 175.646 176.000 -0.050 0.000 0.965 238 Q CA 2.096 57.932 55.803 0.054 0.000 0.910 238 Q CB -1.202 27.508 28.738 -0.046 0.000 0.980 238 Q HN 0.204 8.529 8.270 0.143 0.031 0.491 239 L N -4.686 116.492 121.223 -0.074 0.000 2.362 239 L HA 0.348 4.651 4.340 -0.062 0.000 0.204 239 L C 2.169 179.022 176.870 -0.028 0.000 1.060 239 L CA 1.162 55.974 54.840 -0.047 0.000 0.827 239 L CB 1.540 43.602 42.059 0.005 0.000 1.027 239 L HN -0.214 7.792 8.230 -0.092 0.168 0.474 240 T N -4.681 109.850 114.554 -0.039 0.000 3.051 240 T HA -0.002 4.339 4.350 -0.015 0.000 0.255 240 T C 0.725 175.403 174.700 -0.037 0.000 1.085 240 T CA 1.804 63.885 62.100 -0.031 0.000 1.109 240 T CB 0.526 69.371 68.868 -0.038 0.000 0.921 240 T HN -0.180 8.025 8.240 -0.058 0.000 0.488 241 K N 1.542 121.915 120.400 -0.045 0.000 3.278 241 K HA 0.477 4.857 4.320 -0.040 -0.084 0.200 241 K C -0.611 175.969 176.600 -0.034 0.000 1.107 241 K CA -1.380 54.880 56.287 -0.046 0.000 0.923 241 K CB 0.054 32.513 32.500 -0.069 0.000 0.787 241 K HN -0.341 7.779 8.250 -0.046 0.101 0.481 242 T N 3.539 118.078 114.554 -0.025 0.000 2.684 242 T HA -0.362 3.988 4.350 -0.000 0.000 0.267 242 T C 1.584 176.269 174.700 -0.025 0.000 1.036 242 T CA 4.900 66.990 62.100 -0.017 0.000 1.148 242 T CB -0.108 68.743 68.868 -0.029 0.000 0.863 242 T HN 0.382 8.605 8.240 -0.028 0.000 0.436 243 K N -0.256 120.128 120.400 -0.026 0.000 2.097 243 K HA -0.257 4.049 4.320 -0.024 0.000 0.206 243 K C 2.309 178.889 176.600 -0.034 0.000 1.049 243 K CA 3.688 59.961 56.287 -0.025 0.000 0.933 243 K CB -0.436 32.054 32.500 -0.017 0.000 0.717 243 K HN 0.081 8.316 8.250 -0.024 0.000 0.442 244 E N 0.273 120.450 120.200 -0.039 0.000 2.072 244 E HA -0.258 4.065 4.350 -0.044 0.000 0.191 244 E C 2.373 178.927 176.600 -0.076 0.000 0.985 244 E CA 3.011 59.380 56.400 -0.051 0.000 0.801 244 E CB -0.279 29.390 29.700 -0.052 0.000 0.750 244 E HN -0.633 7.705 8.360 -0.036 0.000 0.452 245 I N -0.851 119.680 120.570 -0.066 0.000 2.226 245 I HA -0.417 3.694 4.170 -0.097 0.000 0.245 245 I C 1.983 178.030 176.117 -0.116 0.000 1.100 245 I CA 2.519 63.776 61.300 -0.071 0.000 1.374 245 I CB -1.225 36.789 38.000 0.023 0.000 1.057 245 I HN -0.185 7.995 8.210 -0.050 0.000 0.413 246 A N -0.968 121.793 122.820 -0.098 0.000 1.933 246 A HA -0.361 3.842 4.320 -0.194 0.000 0.218 246 A C 1.926 179.455 177.584 -0.091 0.000 1.175 246 A CA 3.460 55.425 52.037 -0.120 0.000 0.628 246 A CB -1.040 17.921 19.000 -0.065 0.000 0.814 246 A HN -0.101 8.007 8.150 -0.070 0.000 0.444 247 E N -0.713 119.447 120.200 -0.066 0.000 2.077 247 E HA -0.316 4.029 4.350 -0.009 0.000 0.193 247 E C 2.360 178.905 176.600 -0.090 0.000 0.989 247 E CA 2.891 59.265 56.400 -0.044 0.000 0.800 247 E CB -0.013 29.669 29.700 -0.030 0.000 0.746 247 E HN -0.528 7.793 8.360 -0.064 0.000 0.452 248 I N -0.202 120.255 120.570 -0.189 0.000 2.179 248 I HA -0.502 3.400 4.170 -0.446 0.000 0.242 248 I C 1.866 177.832 176.117 -0.251 0.000 1.088 248 I CA 4.476 65.544 61.300 -0.386 0.000 1.357 248 I CB 0.093 37.749 38.000 -0.573 0.000 1.051 248 I HN -0.473 7.633 8.210 -0.173 0.000 0.409 249 L N -1.937 119.165 121.223 -0.202 0.000 2.083 249 L HA -0.479 3.819 4.340 -0.070 0.000 0.209 249 L C 2.188 179.075 176.870 0.029 0.000 1.083 249 L CA 3.039 57.781 54.840 -0.165 0.000 0.752 249 L CB -0.742 40.974 42.059 -0.572 0.000 0.899 249 L HN -0.212 7.886 8.230 -0.220 0.000 0.433 250 Q N -0.437 119.382 119.800 0.032 0.000 2.096 250 Q HA -0.419 4.087 4.340 0.277 0.000 0.204 250 Q C 2.228 178.319 176.000 0.151 0.000 0.982 250 Q CA 3.032 58.942 55.803 0.178 0.000 0.850 250 Q CB -0.621 28.229 28.738 0.187 0.000 0.901 250 Q HN 0.009 8.262 8.270 -0.028 0.000 0.422 251 E N -0.519 119.735 120.200 0.090 0.000 2.085 251 E HA -0.343 4.069 4.350 0.104 0.000 0.194 251 E C 2.501 179.192 176.600 0.153 0.000 0.994 251 E CA 3.141 59.608 56.400 0.111 0.000 0.801 251 E CB -0.062 29.715 29.700 0.129 0.000 0.743 251 E HN -0.623 7.762 8.360 0.043 0.000 0.453 252 V N -0.127 119.898 119.914 0.187 0.000 2.343 252 V HA -0.459 3.892 4.120 0.384 0.000 0.247 252 V C 1.972 178.216 176.094 0.250 0.000 1.051 252 V CA 3.922 66.402 62.300 0.300 0.000 1.036 252 V CB -1.025 30.977 31.823 0.297 0.000 0.654 252 V HN -0.207 8.061 8.190 0.129 0.000 0.451 253 A N -1.685 121.262 122.820 0.211 0.000 1.972 253 A HA -0.230 4.129 4.320 0.065 0.000 0.219 253 A C 0.872 178.514 177.584 0.096 0.000 1.169 253 A CA 2.501 54.615 52.037 0.128 0.000 0.635 253 A CB -0.278 18.823 19.000 0.169 0.000 0.810 253 A HN -0.229 8.070 8.150 0.249 0.000 0.446 254 D N -4.064 116.390 120.400 0.090 0.000 2.347 254 D HA 0.007 4.658 4.640 0.019 0.000 0.213 254 D C 0.820 177.100 176.300 -0.034 0.000 0.985 254 D CA 1.831 55.848 54.000 0.030 0.000 0.879 254 D CB 0.224 41.045 40.800 0.036 0.000 0.919 254 D HN -0.436 7.785 8.370 0.118 0.219 0.526 255 T N -0.176 114.333 114.554 -0.075 0.000 3.038 255 T HA 0.028 4.219 4.350 -0.265 0.000 0.244 255 T C -0.183 174.242 174.700 -0.458 0.000 1.016 255 T CA 1.745 63.653 62.100 -0.321 0.000 1.098 255 T CB 2.336 70.907 68.868 -0.495 0.000 0.954 255 T HN -0.557 7.501 8.240 -0.001 0.181 0.469 256 Y N 0.334 120.655 120.300 0.034 0.000 2.350 256 Y HA 0.057 4.617 4.550 0.017 0.000 0.338 256 Y C -2.082 173.816 175.900 -0.002 0.000 0.961 256 Y CA -0.717 57.395 58.100 0.019 0.000 1.100 256 Y CB 1.384 39.861 38.460 0.029 0.000 1.179 256 Y HN -0.329 7.980 8.280 0.049 0.000 0.454 257 N N 0.000 118.775 118.700 0.125 0.000 1.763 257 N HA 0.000 4.772 4.740 0.054 0.000 0.220 257 N CA 0.000 53.087 53.050 0.062 0.000 0.885 257 N CB 0.000 38.504 38.487 0.028 0.000 1.341 257 N HN 0.000 8.455 8.380 0.125 0.000 0.667