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 3o00_1_A DATA FIRST_RESID 36 DATA SEQUENCE GHMEHRGTDI ISLSQAATKI HQAQQTLQST PPISEENNDE RTLARQQLTS DATA SEQUENCE SLNALAKSGV SLSAEQNENL RSAFSXXXXX XXXXXXXXXX XXXXXXXEIW DATA SEQUENCE DMVSQNISAI GDSYLGVYEN VVAVYTDFYQ AFSDILSKMG GWLLPGKDGN DATA SEQUENCE TVKLDVTSLK NDLNSLVNKY NQINSNTVLF PAQSGSGVKV ATEAEARQWL DATA SEQUENCE SELNLPNSSL KSYGSGYVVT VDLTPLQKMV QDIDGLGAPG KDSKLEMDNA DATA SEQUENCE KYQAWQSGFK AQEENMKTTL QTLTQKYSNA NSLYDNLVKV LSSTISSSLE DATA SEQUENCE TAKSFLQ 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 36 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 36 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 36 G C 0.000 175.001 174.900 0.168 0.000 0.946 36 G CA 0.000 45.191 45.100 0.152 0.000 0.502 37 H N -0.342 118.741 119.070 0.021 0.000 2.575 37 H HA 0.411 4.962 4.556 -0.008 0.000 0.267 37 H C 0.549 175.886 175.328 0.016 0.000 0.966 37 H CA -0.482 55.573 56.048 0.013 0.000 1.165 37 H CB 0.039 29.809 29.762 0.013 0.000 1.433 37 H HN 0.125 8.405 8.280 0.000 0.000 0.544 38 M N 2.501 121.880 119.600 -0.367 0.000 2.105 38 M HA 0.224 4.700 4.480 -0.007 0.000 0.350 38 M C -0.008 176.232 176.300 -0.101 0.000 1.308 38 M CA 0.028 55.150 55.300 -0.297 0.000 1.108 38 M CB 1.428 33.875 32.600 -0.255 0.000 1.622 38 M HN 0.231 8.521 8.290 0.000 0.000 0.468 39 E N 1.940 122.073 120.200 -0.113 0.000 2.345 39 E HA 0.227 4.572 4.350 -0.007 0.000 0.259 39 E C -0.605 175.926 176.600 -0.115 0.000 1.117 39 E CA -0.183 56.106 56.400 -0.186 0.000 0.913 39 E CB 0.762 30.372 29.700 -0.150 0.000 1.057 39 E HN 0.631 8.992 8.360 0.000 0.000 0.432 40 H N -0.665 118.388 119.070 -0.029 0.000 2.695 40 H HA 0.307 4.859 4.556 -0.007 0.000 0.222 40 H C 0.157 175.475 175.328 -0.018 0.000 1.412 40 H CA -0.476 55.560 56.048 -0.021 0.000 1.347 40 H CB -0.089 29.659 29.762 -0.023 0.000 1.858 40 H HN 0.346 8.626 8.280 0.000 0.000 0.519 41 R N 0.713 121.202 120.500 -0.018 0.000 2.096 41 R HA -0.134 4.202 4.340 -0.007 0.000 0.240 41 R C 2.278 178.602 176.300 0.041 0.000 1.139 41 R CA 1.894 57.983 56.100 -0.019 0.000 0.952 41 R CB -0.406 29.877 30.300 -0.028 0.000 0.854 41 R HN 0.668 8.938 8.270 0.000 0.000 0.436 42 G N -0.410 108.428 108.800 0.064 0.000 2.459 42 G HA2 -0.327 3.629 3.960 -0.007 0.000 0.217 42 G HA3 -0.327 3.629 3.960 -0.007 0.000 0.217 42 G C 1.455 176.387 174.900 0.053 0.000 1.183 42 G CA 1.409 46.543 45.100 0.057 0.000 0.776 42 G HN 0.337 8.627 8.290 0.000 0.000 0.552 43 T N -0.042 114.556 114.554 0.074 0.000 2.904 43 T HA -0.048 4.297 4.350 -0.007 0.000 0.267 43 T C 2.031 176.765 174.700 0.057 0.000 1.059 43 T CA 1.611 63.738 62.100 0.045 0.000 1.137 43 T CB -0.376 68.491 68.868 -0.001 0.000 0.879 43 T HN 0.162 8.402 8.240 0.000 0.000 0.467 44 D N 0.918 121.389 120.400 0.118 0.000 2.117 44 D HA -0.031 4.605 4.640 -0.007 0.000 0.197 44 D C 2.008 178.322 176.300 0.025 0.000 0.987 44 D CA 0.920 54.968 54.000 0.081 0.000 0.829 44 D CB -0.340 40.503 40.800 0.071 0.000 0.961 44 D HN 0.446 8.816 8.370 0.000 0.000 0.460 45 I N 0.570 121.153 120.570 0.022 0.000 2.163 45 I HA -0.250 3.916 4.170 -0.007 0.000 0.243 45 I C 2.370 178.488 176.117 0.003 0.000 1.085 45 I CA 0.775 62.082 61.300 0.011 0.000 1.347 45 I CB -0.156 37.856 38.000 0.020 0.000 1.044 45 I HN -0.022 8.188 8.210 0.000 0.000 0.408 46 I N -0.025 120.547 120.570 0.004 0.000 2.099 46 I HA -0.336 3.830 4.170 -0.007 0.000 0.239 46 I C 2.698 178.799 176.117 -0.027 0.000 1.066 46 I CA 1.502 62.797 61.300 -0.008 0.000 1.324 46 I CB -0.436 37.561 38.000 -0.006 0.000 1.037 46 I HN 0.156 8.366 8.210 0.000 0.000 0.401 47 S N 0.832 116.511 115.700 -0.035 0.000 2.359 47 S HA -0.181 4.285 4.470 -0.007 0.000 0.223 47 S C 1.985 176.532 174.600 -0.089 0.000 1.039 47 S CA 1.526 59.686 58.200 -0.067 0.000 1.042 47 S CB -0.452 62.707 63.200 -0.068 0.000 0.915 47 S HN 0.300 8.610 8.310 0.000 0.000 0.439 48 L N 1.461 122.643 121.223 -0.067 0.000 2.093 48 L HA -0.085 4.250 4.340 -0.007 0.000 0.208 48 L C 2.717 179.546 176.870 -0.067 0.000 1.085 48 L CA 1.354 56.148 54.840 -0.077 0.000 0.755 48 L CB -0.633 41.404 42.059 -0.037 0.000 0.904 48 L HN 0.419 8.649 8.230 0.000 0.000 0.435 49 S N -1.275 114.401 115.700 -0.039 0.000 2.406 49 S HA -0.159 4.307 4.470 -0.007 0.000 0.228 49 S C 1.901 176.481 174.600 -0.034 0.000 1.020 49 S CA 0.481 58.667 58.200 -0.023 0.000 0.965 49 S CB -0.246 62.953 63.200 -0.002 0.000 0.798 49 S HN 0.398 8.708 8.310 0.000 0.000 0.488 50 Q N 1.344 121.115 119.800 -0.047 0.000 2.050 50 Q HA -0.007 4.329 4.340 -0.007 0.000 0.202 50 Q C 2.688 178.642 176.000 -0.076 0.000 0.980 50 Q CA 1.603 57.376 55.803 -0.052 0.000 0.840 50 Q CB -0.700 28.003 28.738 -0.058 0.000 0.898 50 Q HN 0.741 9.011 8.270 0.000 0.000 0.424 51 A N 1.365 124.115 122.820 -0.116 0.000 1.877 51 A HA -0.140 4.176 4.320 -0.007 0.000 0.216 51 A C 2.387 179.879 177.584 -0.154 0.000 1.186 51 A CA 1.963 53.905 52.037 -0.158 0.000 0.620 51 A CB -0.864 17.990 19.000 -0.244 0.000 0.822 51 A HN 0.396 8.546 8.150 0.000 0.000 0.443 52 A N -0.950 121.777 122.820 -0.155 0.000 1.892 52 A HA -0.178 4.138 4.320 -0.007 0.000 0.218 52 A C 2.326 179.780 177.584 -0.218 0.000 1.188 52 A CA 2.605 54.499 52.037 -0.238 0.000 0.631 52 A CB -1.483 17.428 19.000 -0.149 0.000 0.822 52 A HN 0.458 8.608 8.150 0.000 0.000 0.447 53 T N -0.007 114.517 114.554 -0.051 0.000 2.746 53 T HA -0.111 4.235 4.350 -0.007 0.000 0.267 53 T C 1.918 176.633 174.700 0.025 0.000 1.039 53 T CA 1.548 63.670 62.100 0.038 0.000 1.142 53 T CB -0.141 68.748 68.868 0.034 0.000 0.866 53 T HN 0.403 8.643 8.240 0.000 0.000 0.444 54 K N 0.808 121.196 120.400 -0.019 0.000 2.103 54 K HA 0.155 4.470 4.320 -0.007 0.000 0.204 54 K C 2.227 178.830 176.600 0.006 0.000 1.052 54 K CA 0.730 57.015 56.287 -0.003 0.000 0.945 54 K CB -0.525 31.961 32.500 -0.023 0.000 0.722 54 K HN 0.378 8.628 8.250 0.000 0.000 0.443 55 I N 0.333 120.875 120.570 -0.047 0.000 2.179 55 I HA -0.280 3.886 4.170 -0.007 0.000 0.242 55 I C 2.247 178.390 176.117 0.044 0.000 1.088 55 I CA 1.383 62.662 61.300 -0.035 0.000 1.357 55 I CB -0.337 37.593 38.000 -0.117 0.000 1.051 55 I HN 0.267 8.477 8.210 0.000 0.000 0.409 56 H N -0.143 118.950 119.070 0.039 0.000 2.352 56 H HA -0.209 4.343 4.556 -0.007 0.000 0.299 56 H C 2.369 177.724 175.328 0.044 0.000 1.097 56 H CA 1.282 57.355 56.048 0.041 0.000 1.311 56 H CB 0.043 29.823 29.762 0.030 0.000 1.377 56 H HN 0.384 8.664 8.280 0.000 0.000 0.504 57 Q N 0.124 120.023 119.800 0.165 0.000 2.061 57 Q HA -0.164 4.172 4.340 -0.007 0.000 0.204 57 Q C 2.655 178.713 176.000 0.096 0.000 0.984 57 Q CA 1.215 57.081 55.803 0.104 0.000 0.846 57 Q CB -0.074 28.708 28.738 0.073 0.000 0.902 57 Q HN 0.489 8.759 8.270 0.000 0.000 0.421 58 A N 0.782 123.662 122.820 0.100 0.000 1.902 58 A HA -0.283 4.033 4.320 -0.007 0.000 0.217 58 A C 1.994 179.657 177.584 0.131 0.000 1.181 58 A CA 1.709 53.811 52.037 0.109 0.000 0.623 58 A CB -0.675 18.401 19.000 0.127 0.000 0.818 58 A HN 0.441 8.591 8.150 0.000 0.000 0.443 59 Q N -1.123 118.768 119.800 0.153 0.000 2.084 59 Q HA -0.246 4.089 4.340 -0.007 0.000 0.202 59 Q C 2.176 178.248 176.000 0.121 0.000 0.978 59 Q CA 1.613 57.513 55.803 0.161 0.000 0.844 59 Q CB -0.166 28.679 28.738 0.180 0.000 0.898 59 Q HN 0.618 8.888 8.270 0.000 0.000 0.426 60 Q N -0.271 119.592 119.800 0.104 0.000 2.096 60 Q HA -0.141 4.195 4.340 -0.007 0.000 0.204 60 Q C 2.111 178.151 176.000 0.066 0.000 0.982 60 Q CA 2.049 57.895 55.803 0.073 0.000 0.850 60 Q CB -0.561 28.212 28.738 0.058 0.000 0.901 60 Q HN 0.434 8.704 8.270 0.000 0.000 0.422 61 T N 1.750 116.345 114.554 0.069 0.000 2.708 61 T HA -0.074 4.271 4.350 -0.007 0.000 0.266 61 T C 2.037 176.777 174.700 0.066 0.000 1.037 61 T CA 0.878 63.013 62.100 0.059 0.000 1.146 61 T CB -0.203 68.698 68.868 0.054 0.000 0.865 61 T HN 0.179 8.419 8.240 0.000 0.000 0.435 62 L N 0.768 122.039 121.223 0.081 0.000 2.217 62 L HA -0.046 4.289 4.340 -0.007 0.000 0.211 62 L C 2.767 179.695 176.870 0.097 0.000 1.107 62 L CA 0.796 55.687 54.840 0.086 0.000 0.783 62 L CB -0.400 41.715 42.059 0.093 0.000 0.919 62 L HN 0.177 8.407 8.230 0.000 0.000 0.442 63 Q N -0.652 119.200 119.800 0.088 0.000 2.331 63 Q HA -0.039 4.297 4.340 -0.007 0.000 0.203 63 Q C 2.282 178.323 176.000 0.068 0.000 0.944 63 Q CA 1.392 57.240 55.803 0.076 0.000 0.892 63 Q CB 0.155 28.932 28.738 0.065 0.000 0.983 63 Q HN 0.583 8.853 8.270 0.000 0.000 0.482 64 S N -1.404 114.333 115.700 0.062 0.000 2.506 64 S HA 0.110 4.576 4.470 -0.007 0.000 0.219 64 S C 0.857 175.484 174.600 0.046 0.000 1.031 64 S CA -0.295 57.934 58.200 0.049 0.000 0.911 64 S CB 0.246 63.469 63.200 0.038 0.000 0.812 64 S HN 0.021 8.331 8.310 0.000 0.000 0.497 65 T N 5.800 120.384 114.554 0.051 0.000 2.727 65 T HA 0.480 4.825 4.350 -0.007 0.000 0.298 65 T C -2.784 171.936 174.700 0.033 0.000 0.942 65 T CA -1.242 60.880 62.100 0.036 0.000 0.997 65 T CB 1.270 70.156 68.868 0.031 0.000 0.917 65 T HN 0.291 8.531 8.240 0.000 0.000 0.487 66 P HA 0.253 4.673 4.420 0.000 0.000 0.279 66 P C -2.553 174.690 177.300 -0.095 0.000 1.239 66 P CA -2.068 61.011 63.100 -0.034 0.000 0.789 66 P CB 0.383 32.066 31.700 -0.028 0.000 0.933 67 P HA 0.108 4.528 4.420 0.000 0.000 0.220 67 P C 0.397 177.593 177.300 -0.175 0.000 1.778 67 P CA -0.122 62.832 63.100 -0.244 0.000 0.912 67 P CB -0.785 30.601 31.700 -0.525 0.000 1.861 68 I N -2.199 118.312 120.570 -0.098 0.000 4.018 68 I HA 0.261 4.427 4.170 -0.007 0.000 0.337 68 I C 0.346 176.452 176.117 -0.018 0.000 1.327 68 I CA -0.655 60.614 61.300 -0.052 0.000 1.100 68 I CB -0.428 37.551 38.000 -0.035 0.000 1.025 68 I HN -0.033 8.177 8.210 0.000 0.000 0.396 69 S N -1.259 114.428 115.700 -0.022 0.000 2.596 69 S HA 0.422 4.888 4.470 -0.007 0.000 0.270 69 S C 0.491 175.083 174.600 -0.012 0.000 1.155 69 S CA -0.347 57.849 58.200 -0.007 0.000 0.827 69 S CB 1.571 64.771 63.200 -0.001 0.000 1.130 69 S HN 0.235 8.545 8.310 0.000 0.000 0.467 70 E N 0.817 121.013 120.200 -0.006 0.000 2.077 70 E HA -0.215 4.131 4.350 -0.007 0.000 0.193 70 E C 1.634 178.229 176.600 -0.009 0.000 0.989 70 E CA 1.655 58.049 56.400 -0.010 0.000 0.800 70 E CB -0.227 29.468 29.700 -0.009 0.000 0.746 70 E HN 0.779 9.139 8.360 0.000 0.000 0.452 71 E N -0.080 120.117 120.200 -0.005 0.000 2.058 71 E HA -0.248 4.097 4.350 -0.007 0.000 0.194 71 E C 1.864 178.462 176.600 -0.004 0.000 0.997 71 E CA 1.598 57.997 56.400 -0.003 0.000 0.801 71 E CB 0.013 29.713 29.700 -0.000 0.000 0.746 71 E HN 0.224 8.584 8.360 0.000 0.000 0.450 72 N N 0.763 119.458 118.700 -0.007 0.000 2.084 72 N HA -0.125 4.611 4.740 -0.007 0.000 0.190 72 N C 1.433 176.936 175.510 -0.010 0.000 1.030 72 N CA 1.176 54.221 53.050 -0.008 0.000 0.849 72 N CB -0.415 38.062 38.487 -0.017 0.000 1.012 72 N HN 0.179 8.559 8.380 0.000 0.000 0.423 73 N N 1.085 119.774 118.700 -0.018 0.000 2.223 73 N HA -0.109 4.627 4.740 -0.007 0.000 0.185 73 N C 0.847 176.353 175.510 -0.007 0.000 1.016 73 N CA 0.856 53.896 53.050 -0.017 0.000 0.863 73 N CB -0.360 38.112 38.487 -0.025 0.000 0.983 73 N HN 0.291 8.671 8.380 0.000 0.000 0.429 74 D N 1.038 121.435 120.400 -0.006 0.000 2.117 74 D HA -0.115 4.521 4.640 -0.007 0.000 0.197 74 D C 1.685 177.988 176.300 0.004 0.000 0.987 74 D CA 0.884 54.884 54.000 -0.001 0.000 0.829 74 D CB -0.178 40.621 40.800 -0.001 0.000 0.961 74 D HN 0.459 8.829 8.370 0.000 0.000 0.460 75 E N 0.348 120.551 120.200 0.005 0.000 2.110 75 E HA -0.122 4.224 4.350 -0.007 0.000 0.193 75 E C 2.228 178.836 176.600 0.013 0.000 0.988 75 E CA 0.696 57.102 56.400 0.011 0.000 0.804 75 E CB 0.030 29.737 29.700 0.012 0.000 0.745 75 E HN 0.225 8.585 8.360 0.000 0.000 0.458 76 R N 0.134 120.639 120.500 0.009 0.000 2.090 76 R HA -0.040 4.296 4.340 -0.007 0.000 0.228 76 R C 2.436 178.734 176.300 -0.004 0.000 1.110 76 R CA 1.506 57.610 56.100 0.007 0.000 0.973 76 R CB -0.302 30.003 30.300 0.009 0.000 0.869 76 R HN 0.085 8.355 8.270 0.000 0.000 0.440 77 T N 1.784 116.337 114.554 -0.001 0.000 2.746 77 T HA -0.134 4.212 4.350 -0.007 0.000 0.267 77 T C 1.705 176.414 174.700 0.015 0.000 1.039 77 T CA 1.134 63.236 62.100 0.002 0.000 1.142 77 T CB -0.190 68.682 68.868 0.006 0.000 0.866 77 T HN 0.080 8.320 8.240 0.000 0.000 0.444 78 L N 1.385 122.618 121.223 0.016 0.000 2.046 78 L HA 0.097 4.433 4.340 -0.007 0.000 0.208 78 L C 2.599 179.488 176.870 0.031 0.000 1.077 78 L CA 1.798 56.651 54.840 0.022 0.000 0.747 78 L CB -0.975 41.095 42.059 0.019 0.000 0.896 78 L HN 0.214 8.444 8.230 0.000 0.000 0.432 79 A N -0.290 122.549 122.820 0.032 0.000 1.908 79 A HA -0.240 4.075 4.320 -0.007 0.000 0.218 79 A C 2.421 180.047 177.584 0.070 0.000 1.181 79 A CA 1.942 54.009 52.037 0.049 0.000 0.627 79 A CB -0.573 18.457 19.000 0.051 0.000 0.818 79 A HN 0.527 8.677 8.150 0.000 0.000 0.445 80 R N -0.918 119.615 120.500 0.054 0.000 2.092 80 R HA -0.135 4.201 4.340 -0.007 0.000 0.231 80 R C 2.523 178.885 176.300 0.103 0.000 1.119 80 R CA 1.290 57.449 56.100 0.099 0.000 0.970 80 R CB -0.332 29.988 30.300 0.033 0.000 0.864 80 R HN 0.799 9.069 8.270 0.000 0.000 0.440 81 Q N 1.294 121.134 119.800 0.066 0.000 2.084 81 Q HA -0.226 4.110 4.340 -0.007 0.000 0.202 81 Q C 1.819 177.849 176.000 0.050 0.000 0.978 81 Q CA 1.594 57.431 55.803 0.057 0.000 0.844 81 Q CB 0.097 28.858 28.738 0.040 0.000 0.898 81 Q HN 0.436 8.706 8.270 0.000 0.000 0.426 82 Q N 0.402 120.230 119.800 0.047 0.000 2.124 82 Q HA -0.142 4.194 4.340 -0.007 0.000 0.202 82 Q C 2.233 178.256 176.000 0.038 0.000 0.977 82 Q CA 1.402 57.227 55.803 0.036 0.000 0.850 82 Q CB -0.089 28.670 28.738 0.035 0.000 0.901 82 Q HN 0.415 8.685 8.270 0.000 0.000 0.429 83 L N 0.062 121.326 121.223 0.069 0.000 2.005 83 L HA -0.196 4.139 4.340 -0.007 0.000 0.207 83 L C 2.627 179.526 176.870 0.049 0.000 1.072 83 L CA 1.855 56.738 54.840 0.072 0.000 0.744 83 L CB -0.525 41.624 42.059 0.149 0.000 0.895 83 L HN 0.261 8.491 8.230 0.000 0.000 0.433 84 T N -1.976 112.622 114.554 0.073 0.000 2.720 84 T HA -0.195 4.150 4.350 -0.007 0.000 0.268 84 T C 2.006 176.715 174.700 0.015 0.000 1.037 84 T CA 1.987 64.118 62.100 0.052 0.000 1.144 84 T CB -0.306 68.608 68.868 0.077 0.000 0.864 84 T HN 0.472 8.712 8.240 0.000 0.000 0.444 85 S N 1.168 116.875 115.700 0.013 0.000 2.383 85 S HA -0.123 4.343 4.470 -0.007 0.000 0.229 85 S C 2.437 177.014 174.600 -0.038 0.000 1.030 85 S CA 1.660 59.856 58.200 -0.008 0.000 1.002 85 S CB -0.582 62.617 63.200 -0.001 0.000 0.829 85 S HN 0.892 9.202 8.310 0.000 0.000 0.467 86 S N 1.690 117.362 115.700 -0.047 0.000 2.402 86 S HA 0.049 4.514 4.470 -0.007 0.000 0.229 86 S C 1.803 176.310 174.600 -0.155 0.000 1.021 86 S CA 0.694 58.840 58.200 -0.090 0.000 0.974 86 S CB -0.593 62.559 63.200 -0.080 0.000 0.800 86 S HN 0.454 8.764 8.310 0.000 0.000 0.484 87 L N 1.673 122.816 121.223 -0.134 0.000 2.072 87 L HA -0.042 4.294 4.340 -0.007 0.000 0.205 87 L C 2.578 179.362 176.870 -0.143 0.000 1.079 87 L CA 1.427 56.157 54.840 -0.183 0.000 0.752 87 L CB -0.980 41.044 42.059 -0.058 0.000 0.906 87 L HN 0.422 8.652 8.230 0.000 0.000 0.436 88 N N 0.331 118.989 118.700 -0.071 0.000 2.061 88 N HA -0.225 4.511 4.740 -0.007 0.000 0.193 88 N C 1.926 177.389 175.510 -0.078 0.000 1.030 88 N CA 1.224 54.246 53.050 -0.047 0.000 0.856 88 N CB -0.195 38.279 38.487 -0.021 0.000 1.023 88 N HN 0.339 8.719 8.380 0.000 0.000 0.424 89 A N 1.077 123.835 122.820 -0.103 0.000 1.898 89 A HA -0.070 4.246 4.320 -0.007 0.000 0.216 89 A C 2.133 179.614 177.584 -0.172 0.000 1.181 89 A CA 0.814 52.783 52.037 -0.113 0.000 0.620 89 A CB -0.581 18.359 19.000 -0.100 0.000 0.819 89 A HN 0.226 8.376 8.150 0.000 0.000 0.442 90 L N -0.132 120.924 121.223 -0.279 0.000 2.083 90 L HA -0.056 4.280 4.340 -0.007 0.000 0.209 90 L C 2.641 179.248 176.870 -0.439 0.000 1.083 90 L CA 2.018 56.588 54.840 -0.449 0.000 0.752 90 L CB -0.682 40.918 42.059 -0.765 0.000 0.899 90 L HN 0.343 8.573 8.230 0.000 0.000 0.433 91 A N -0.841 121.796 122.820 -0.305 0.000 1.978 91 A HA -0.232 4.084 4.320 -0.007 0.000 0.220 91 A C 2.263 179.843 177.584 -0.008 0.000 1.170 91 A CA 1.902 53.911 52.037 -0.047 0.000 0.636 91 A CB -0.486 18.563 19.000 0.081 0.000 0.810 91 A HN 0.522 8.672 8.150 0.000 0.000 0.448 92 K N 0.155 120.523 120.400 -0.053 0.000 2.426 92 K HA 0.003 4.319 4.320 -0.007 0.000 0.193 92 K C 1.930 178.502 176.600 -0.047 0.000 1.028 92 K CA 0.793 57.059 56.287 -0.034 0.000 1.047 92 K CB 0.067 32.542 32.500 -0.040 0.000 0.821 92 K HN 0.643 8.893 8.250 0.000 0.000 0.513 93 S N -0.202 115.454 115.700 -0.073 0.000 2.461 93 S HA 0.007 4.473 4.470 -0.007 0.000 0.228 93 S C 1.515 176.093 174.600 -0.037 0.000 1.005 93 S CA 0.632 58.788 58.200 -0.073 0.000 0.942 93 S CB -0.100 63.037 63.200 -0.106 0.000 0.776 93 S HN 0.368 8.678 8.310 0.000 0.000 0.514 94 G N 0.632 109.440 108.800 0.014 0.000 2.147 94 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.244 94 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.244 94 G C 0.010 175.004 174.900 0.157 0.000 1.005 94 G CA 0.090 45.231 45.100 0.069 0.000 0.713 94 G HN 0.697 8.987 8.290 0.000 0.000 0.515 95 V N 1.472 121.464 119.914 0.130 0.000 2.637 95 V HA 0.487 4.603 4.120 -0.007 0.000 0.296 95 V C 1.167 177.358 176.094 0.162 0.000 1.046 95 V CA 0.461 62.849 62.300 0.146 0.000 1.066 95 V CB 1.402 33.286 31.823 0.101 0.000 0.968 95 V HN 0.899 9.089 8.190 0.000 0.000 0.483 96 S N 5.741 121.509 115.700 0.113 0.000 2.617 96 S HA 0.822 5.287 4.470 -0.007 0.000 0.283 96 S C -0.771 173.879 174.600 0.083 0.000 1.189 96 S CA -0.870 57.385 58.200 0.092 0.000 1.036 96 S CB 1.445 64.674 63.200 0.047 0.000 1.014 96 S HN 0.424 8.734 8.310 0.000 0.000 0.522 97 L N 2.076 123.333 121.223 0.058 0.000 2.334 97 L HA 0.542 4.877 4.340 -0.007 0.000 0.273 97 L C 0.695 177.563 176.870 -0.003 0.000 1.013 97 L CA -0.794 54.062 54.840 0.028 0.000 0.816 97 L CB 2.051 44.094 42.059 -0.027 0.000 1.278 97 L HN 0.964 9.194 8.230 0.000 0.000 0.431 98 S N 1.099 116.794 115.700 -0.008 0.000 2.576 98 S HA 0.194 4.660 4.470 -0.007 0.000 0.272 98 S C 1.240 175.823 174.600 -0.029 0.000 1.352 98 S CA -0.028 58.162 58.200 -0.017 0.000 1.021 98 S CB 1.255 64.447 63.200 -0.014 0.000 0.887 98 S HN 0.746 9.056 8.310 0.000 0.000 0.542 99 A N 1.178 123.982 122.820 -0.027 0.000 1.940 99 A HA -0.138 4.178 4.320 -0.007 0.000 0.219 99 A C 2.115 179.677 177.584 -0.035 0.000 1.176 99 A CA 2.066 54.084 52.037 -0.032 0.000 0.631 99 A CB -1.337 17.648 19.000 -0.024 0.000 0.814 99 A HN 1.057 9.207 8.150 0.000 0.000 0.446 100 E N 0.299 120.482 120.200 -0.028 0.000 2.038 100 E HA -0.257 4.089 4.350 -0.007 0.000 0.195 100 E C 2.056 178.636 176.600 -0.033 0.000 1.000 100 E CA 2.247 58.631 56.400 -0.026 0.000 0.803 100 E CB -0.502 29.187 29.700 -0.018 0.000 0.750 100 E HN 0.723 9.083 8.360 0.000 0.000 0.448 101 Q N -0.363 119.416 119.800 -0.036 0.000 2.079 101 Q HA -0.125 4.210 4.340 -0.007 0.000 0.200 101 Q C 2.198 178.140 176.000 -0.097 0.000 0.974 101 Q CA 1.398 57.170 55.803 -0.051 0.000 0.840 101 Q CB -0.241 28.474 28.738 -0.039 0.000 0.898 101 Q HN 0.290 8.560 8.270 0.000 0.000 0.430 102 N N 0.535 119.171 118.700 -0.106 0.000 2.061 102 N HA -0.239 4.497 4.740 -0.007 0.000 0.193 102 N C 1.579 177.030 175.510 -0.099 0.000 1.030 102 N CA 1.524 54.495 53.050 -0.132 0.000 0.856 102 N CB -0.060 38.368 38.487 -0.100 0.000 1.023 102 N HN 0.131 8.511 8.380 0.000 0.000 0.424 103 E N 0.655 120.816 120.200 -0.065 0.000 2.051 103 E HA -0.110 4.235 4.350 -0.007 0.000 0.192 103 E C 1.456 178.032 176.600 -0.040 0.000 0.991 103 E CA 1.270 57.641 56.400 -0.047 0.000 0.799 103 E CB -0.418 29.260 29.700 -0.037 0.000 0.748 103 E HN 0.328 8.688 8.360 0.000 0.000 0.449 104 N N 0.125 118.803 118.700 -0.037 0.000 2.094 104 N HA -0.174 4.562 4.740 -0.007 0.000 0.191 104 N C 1.909 177.421 175.510 0.004 0.000 1.023 104 N CA 1.306 54.343 53.050 -0.022 0.000 0.857 104 N CB -0.358 38.121 38.487 -0.014 0.000 1.013 104 N HN 0.253 8.633 8.380 0.000 0.000 0.426 105 L N 0.668 121.887 121.223 -0.008 0.000 2.044 105 L HA -0.048 4.288 4.340 -0.007 0.000 0.205 105 L C 2.556 179.495 176.870 0.116 0.000 1.075 105 L CA 0.849 55.729 54.840 0.067 0.000 0.747 105 L CB -0.274 41.665 42.059 -0.200 0.000 0.903 105 L HN 0.122 8.352 8.230 0.000 0.000 0.435 106 R N 0.143 120.644 120.500 0.001 0.000 2.094 106 R HA -0.193 4.143 4.340 -0.007 0.000 0.239 106 R C 2.602 178.910 176.300 0.013 0.000 1.137 106 R CA 2.074 58.176 56.100 0.004 0.000 0.943 106 R CB -0.640 29.643 30.300 -0.029 0.000 0.850 106 R HN 0.489 8.759 8.270 0.000 0.000 0.433 107 S N 0.470 116.161 115.700 -0.015 0.000 2.382 107 S HA -0.096 4.369 4.470 -0.007 0.000 0.228 107 S C 2.222 176.770 174.600 -0.087 0.000 1.027 107 S CA 1.060 59.233 58.200 -0.044 0.000 0.991 107 S CB -0.190 62.980 63.200 -0.049 0.000 0.823 107 S HN 0.396 8.706 8.310 0.000 0.000 0.469 108 A N 0.725 123.476 122.820 -0.114 0.000 1.929 108 A HA 0.290 4.606 4.320 -0.007 0.000 0.216 108 A C 1.378 178.641 177.584 -0.536 0.000 1.176 108 A CA 0.772 52.598 52.037 -0.351 0.000 0.628 108 A CB -0.668 18.052 19.000 -0.466 0.000 0.816 108 A HN 0.587 8.737 8.150 0.000 0.000 0.444 109 F N 0.198 120.108 119.950 -0.066 0.000 2.750 109 F HA 0.339 4.860 4.527 -0.010 0.000 0.297 109 F C 0.902 176.674 175.800 -0.046 0.000 1.138 109 F CA -0.157 57.809 58.000 -0.056 0.000 1.346 109 F CB 0.220 39.185 39.000 -0.058 0.000 0.965 109 F HN -0.058 8.242 8.300 0.000 0.000 0.514 134 I N 1.206 121.729 120.570 -0.079 0.000 2.179 134 I HA -0.115 4.051 4.170 -0.007 0.000 0.242 134 I C 2.217 178.206 176.117 -0.213 0.000 1.088 134 I CA 1.531 62.711 61.300 -0.200 0.000 1.357 134 I CB -1.222 36.574 38.000 -0.340 0.000 1.051 134 I HN 0.175 8.385 8.210 0.000 0.000 0.409 135 W N 1.548 122.798 121.300 -0.083 0.000 2.342 135 W HA -0.200 4.458 4.660 -0.002 0.000 0.297 135 W C 2.329 178.778 176.519 -0.116 0.000 1.213 135 W CA 0.701 57.975 57.345 -0.118 0.000 1.251 135 W CB -0.389 29.017 29.460 -0.090 0.000 1.136 135 W HN 0.159 8.339 8.180 0.000 0.000 0.526 136 D N -0.356 120.124 120.400 0.133 0.000 2.144 136 D HA -0.191 4.445 4.640 -0.007 0.000 0.200 136 D C 2.119 178.431 176.300 0.020 0.000 0.978 136 D CA 1.220 55.259 54.000 0.066 0.000 0.833 136 D CB -0.576 40.256 40.800 0.053 0.000 0.961 136 D HN 0.106 8.476 8.370 0.000 0.000 0.470 137 M N 1.013 120.607 119.600 -0.010 0.000 2.086 137 M HA -0.139 4.337 4.480 -0.007 0.000 0.261 137 M C 2.052 178.319 176.300 -0.056 0.000 1.067 137 M CA 1.078 56.365 55.300 -0.022 0.000 1.116 137 M CB -0.338 32.241 32.600 -0.035 0.000 1.348 137 M HN -0.158 8.132 8.290 0.000 0.000 0.407 138 V N 0.034 119.844 119.914 -0.172 0.000 2.255 138 V HA -0.271 3.845 4.120 -0.007 0.000 0.247 138 V C 2.647 178.579 176.094 -0.269 0.000 1.051 138 V CA 2.195 64.219 62.300 -0.459 0.000 1.018 138 V CB -1.166 30.226 31.823 -0.718 0.000 0.641 138 V HN 0.631 8.821 8.190 0.000 0.000 0.445 139 S N -0.833 114.807 115.700 -0.099 0.000 2.359 139 S HA -0.320 4.146 4.470 -0.007 0.000 0.224 139 S C 2.055 176.671 174.600 0.028 0.000 1.035 139 S CA 2.271 60.460 58.200 -0.017 0.000 1.018 139 S CB -0.287 62.927 63.200 0.023 0.000 0.876 139 S HN 0.719 9.029 8.310 0.000 0.000 0.448 140 Q N 0.368 120.187 119.800 0.033 0.000 2.096 140 Q HA -0.163 4.173 4.340 -0.007 0.000 0.204 140 Q C 2.164 178.219 176.000 0.090 0.000 0.982 140 Q CA 1.846 57.685 55.803 0.060 0.000 0.850 140 Q CB -0.330 28.438 28.738 0.050 0.000 0.901 140 Q HN 0.732 9.002 8.270 0.000 0.000 0.422 141 N N 0.636 119.395 118.700 0.099 0.000 2.080 141 N HA -0.127 4.609 4.740 -0.007 0.000 0.189 141 N C 1.693 177.329 175.510 0.210 0.000 1.036 141 N CA 0.837 53.985 53.050 0.163 0.000 0.846 141 N CB -0.065 38.566 38.487 0.240 0.000 1.015 141 N HN 0.183 8.563 8.380 0.000 0.000 0.423 142 I N -0.107 120.597 120.570 0.225 0.000 2.315 142 I HA -0.222 3.944 4.170 -0.007 0.000 0.248 142 I C 1.721 178.006 176.117 0.281 0.000 1.117 142 I CA 0.849 62.291 61.300 0.237 0.000 1.404 142 I CB -0.132 37.963 38.000 0.158 0.000 1.071 142 I HN 0.223 8.433 8.210 0.000 0.000 0.419 143 S N 0.827 116.655 115.700 0.213 0.000 2.359 143 S HA -0.196 4.270 4.470 -0.007 0.000 0.224 143 S C 2.146 176.873 174.600 0.213 0.000 1.035 143 S CA 1.415 59.741 58.200 0.209 0.000 1.018 143 S CB -0.356 62.927 63.200 0.138 0.000 0.876 143 S HN 0.647 8.957 8.310 0.000 0.000 0.448 144 A N 1.242 124.175 122.820 0.188 0.000 1.902 144 A HA -0.061 4.255 4.320 -0.007 0.000 0.217 144 A C 2.067 179.789 177.584 0.230 0.000 1.181 144 A CA 1.284 53.429 52.037 0.180 0.000 0.623 144 A CB -0.707 18.379 19.000 0.143 0.000 0.818 144 A HN 0.501 8.651 8.150 0.000 0.000 0.443 145 I N -0.394 120.335 120.570 0.265 0.000 2.226 145 I HA -0.191 3.975 4.170 -0.007 0.000 0.245 145 I C 2.686 179.050 176.117 0.411 0.000 1.100 145 I CA 1.058 62.560 61.300 0.336 0.000 1.374 145 I CB -0.579 37.614 38.000 0.323 0.000 1.057 145 I HN 0.404 8.614 8.210 0.000 0.000 0.413 146 G N 0.453 109.497 108.800 0.406 0.000 2.421 146 G HA2 -0.231 3.725 3.960 -0.007 0.000 0.216 146 G HA3 -0.231 3.725 3.960 -0.007 0.000 0.216 146 G C 1.297 176.296 174.900 0.164 0.000 1.171 146 G CA 0.957 46.186 45.100 0.215 0.000 0.775 146 G HN 0.271 8.561 8.290 0.000 0.000 0.543 147 D N 0.308 120.820 120.400 0.186 0.000 2.103 147 D HA 0.000 4.636 4.640 -0.007 0.000 0.199 147 D C 2.677 179.092 176.300 0.192 0.000 0.978 147 D CA 1.077 55.169 54.000 0.153 0.000 0.829 147 D CB -0.107 40.778 40.800 0.141 0.000 0.981 147 D HN 0.253 8.623 8.370 0.000 0.000 0.464 148 S N -1.196 114.661 115.700 0.262 0.000 2.524 148 S HA 0.029 4.494 4.470 -0.007 0.000 0.216 148 S C 1.013 175.920 174.600 0.512 0.000 0.987 148 S CA -0.101 58.301 58.200 0.335 0.000 0.909 148 S CB 0.761 64.143 63.200 0.304 0.000 0.781 148 S HN 0.274 8.584 8.310 0.000 0.000 0.521 149 Y N 0.242 120.740 120.300 0.329 0.000 3.105 149 Y HA 0.361 4.907 4.550 -0.006 0.000 0.216 149 Y C 1.491 177.654 175.900 0.438 0.000 0.943 149 Y CA -0.130 58.240 58.100 0.451 0.000 1.535 149 Y CB -0.715 37.943 38.460 0.330 0.000 1.475 149 Y HN 0.083 8.363 8.280 0.000 0.000 0.435 150 L N 0.951 122.360 121.223 0.311 0.000 2.046 150 L HA 0.069 4.405 4.340 -0.007 0.000 0.208 150 L C 2.207 179.168 176.870 0.151 0.000 1.077 150 L CA 2.596 57.531 54.840 0.159 0.000 0.747 150 L CB -1.270 40.828 42.059 0.065 0.000 0.896 150 L HN 0.429 8.659 8.230 0.000 0.000 0.432 151 G N -1.200 107.669 108.800 0.116 0.000 2.442 151 G HA2 -0.198 3.757 3.960 -0.007 0.000 0.219 151 G HA3 -0.198 3.757 3.960 -0.007 0.000 0.219 151 G C 1.534 176.444 174.900 0.017 0.000 1.141 151 G CA 1.077 46.216 45.100 0.064 0.000 0.763 151 G HN 0.346 8.636 8.290 0.000 0.000 0.554 152 V N -0.268 119.626 119.914 -0.032 0.000 2.295 152 V HA -0.185 3.931 4.120 -0.007 0.000 0.246 152 V C 2.368 178.301 176.094 -0.268 0.000 1.049 152 V CA 1.536 63.666 62.300 -0.284 0.000 1.024 152 V CB -0.736 30.608 31.823 -0.798 0.000 0.648 152 V HN 0.386 8.576 8.190 0.000 0.000 0.447 153 Y N 0.921 121.159 120.300 -0.104 0.000 2.165 153 Y HA -0.256 4.289 4.550 -0.007 0.000 0.286 153 Y C 2.562 178.488 175.900 0.043 0.000 1.155 153 Y CA 1.969 60.081 58.100 0.021 0.000 1.164 153 Y CB -0.436 38.085 38.460 0.102 0.000 0.978 153 Y HN 0.361 8.641 8.280 0.000 0.000 0.513 154 E N -0.477 119.839 120.200 0.193 0.000 2.058 154 E HA -0.275 4.071 4.350 -0.007 0.000 0.194 154 E C 1.984 178.562 176.600 -0.036 0.000 0.997 154 E CA 1.420 57.824 56.400 0.006 0.000 0.801 154 E CB -0.304 29.407 29.700 0.019 0.000 0.746 154 E HN 0.401 8.761 8.360 0.000 0.000 0.450 155 N N 0.153 118.835 118.700 -0.030 0.000 2.120 155 N HA -0.150 4.585 4.740 -0.007 0.000 0.188 155 N C 1.650 177.148 175.510 -0.019 0.000 1.024 155 N CA 0.981 54.005 53.050 -0.044 0.000 0.852 155 N CB -0.023 38.418 38.487 -0.076 0.000 1.003 155 N HN -0.052 8.328 8.380 0.000 0.000 0.424 156 V N -0.229 119.673 119.914 -0.019 0.000 2.287 156 V HA -0.225 3.890 4.120 -0.007 0.000 0.248 156 V C 2.254 178.426 176.094 0.130 0.000 1.053 156 V CA 1.592 63.925 62.300 0.055 0.000 1.027 156 V CB -0.529 31.312 31.823 0.029 0.000 0.646 156 V HN 0.214 8.404 8.190 0.000 0.000 0.447 157 V N 0.106 120.060 119.914 0.067 0.000 2.358 157 V HA -0.224 3.891 4.120 -0.007 0.000 0.246 157 V C 2.656 178.776 176.094 0.043 0.000 1.047 157 V CA 1.967 64.283 62.300 0.028 0.000 1.035 157 V CB -1.135 30.594 31.823 -0.157 0.000 0.658 157 V HN 0.560 8.750 8.190 0.000 0.000 0.452 158 A N -0.219 122.602 122.820 0.001 0.000 1.898 158 A HA -0.134 4.182 4.320 -0.007 0.000 0.216 158 A C 2.398 180.022 177.584 0.066 0.000 1.181 158 A CA 1.955 54.000 52.037 0.013 0.000 0.620 158 A CB -0.658 18.334 19.000 -0.013 0.000 0.819 158 A HN 0.318 8.468 8.150 0.000 0.000 0.442 159 V N -1.684 118.273 119.914 0.072 0.000 2.295 159 V HA -0.279 3.837 4.120 -0.007 0.000 0.246 159 V C 2.348 178.515 176.094 0.122 0.000 1.049 159 V CA 2.087 64.434 62.300 0.080 0.000 1.024 159 V CB -0.992 30.852 31.823 0.035 0.000 0.648 159 V HN 0.646 8.836 8.190 0.000 0.000 0.447 160 Y N 1.112 121.482 120.300 0.117 0.000 2.224 160 Y HA -0.239 4.307 4.550 -0.007 0.000 0.289 160 Y C 2.743 178.761 175.900 0.197 0.000 1.146 160 Y CA 2.079 60.297 58.100 0.197 0.000 1.182 160 Y CB -0.610 37.937 38.460 0.145 0.000 0.983 160 Y HN 0.248 8.528 8.280 0.000 0.000 0.524 161 T N -0.324 114.390 114.554 0.266 0.000 2.652 161 T HA -0.198 4.148 4.350 -0.007 0.000 0.267 161 T C 1.355 176.158 174.700 0.171 0.000 1.039 161 T CA 1.755 63.965 62.100 0.182 0.000 1.153 161 T CB -0.346 68.578 68.868 0.094 0.000 0.863 161 T HN 0.308 8.548 8.240 0.000 0.000 0.428 162 D N 0.397 120.888 120.400 0.151 0.000 2.144 162 D HA -0.018 4.618 4.640 -0.007 0.000 0.200 162 D C 1.725 178.111 176.300 0.142 0.000 0.978 162 D CA 0.540 54.628 54.000 0.146 0.000 0.833 162 D CB -0.455 40.438 40.800 0.155 0.000 0.961 162 D HN 0.324 8.694 8.370 0.000 0.000 0.470 163 F N 0.763 120.663 119.950 -0.084 0.000 2.102 163 F HA -0.249 4.274 4.527 -0.007 0.000 0.298 163 F C 2.231 177.897 175.800 -0.223 0.000 1.105 163 F CA 1.147 58.880 58.000 -0.445 0.000 1.239 163 F CB -0.824 37.778 39.000 -0.662 0.000 0.991 163 F HN -0.074 8.226 8.300 0.000 0.000 0.474 164 Y N 0.862 120.953 120.300 -0.348 0.000 2.224 164 Y HA -0.250 4.296 4.550 -0.007 0.000 0.289 164 Y C 2.711 178.546 175.900 -0.108 0.000 1.146 164 Y CA 2.142 60.087 58.100 -0.258 0.000 1.182 164 Y CB -0.652 37.809 38.460 0.001 0.000 0.983 164 Y HN 0.284 8.564 8.280 0.000 0.000 0.524 165 Q N 0.301 120.132 119.800 0.051 0.000 2.084 165 Q HA -0.158 4.178 4.340 -0.007 0.000 0.202 165 Q C 2.293 178.255 176.000 -0.063 0.000 0.978 165 Q CA 1.941 57.754 55.803 0.017 0.000 0.844 165 Q CB -0.643 28.130 28.738 0.058 0.000 0.898 165 Q HN 0.471 8.741 8.270 0.000 0.000 0.426 166 A N -0.273 122.508 122.820 -0.066 0.000 1.908 166 A HA -0.170 4.146 4.320 -0.007 0.000 0.218 166 A C 1.982 179.522 177.584 -0.073 0.000 1.181 166 A CA 1.514 53.536 52.037 -0.025 0.000 0.627 166 A CB -1.027 18.020 19.000 0.079 0.000 0.818 166 A HN 0.581 8.731 8.150 0.000 0.000 0.445 167 F N 1.530 121.225 119.950 -0.425 0.000 2.102 167 F HA -0.121 4.401 4.527 -0.007 0.000 0.298 167 F C 2.500 178.104 175.800 -0.326 0.000 1.105 167 F CA 1.681 59.412 58.000 -0.449 0.000 1.239 167 F CB -0.694 37.824 39.000 -0.803 0.000 0.991 167 F HN 0.197 8.497 8.300 0.000 0.000 0.474 168 S N 0.382 115.760 115.700 -0.536 0.000 2.383 168 S HA -0.219 4.246 4.470 -0.007 0.000 0.229 168 S C 1.580 176.002 174.600 -0.296 0.000 1.030 168 S CA 1.534 59.460 58.200 -0.457 0.000 1.002 168 S CB -0.540 62.534 63.200 -0.210 0.000 0.829 168 S HN 0.461 8.771 8.310 0.000 0.000 0.467 169 D N 1.233 121.522 120.400 -0.185 0.000 2.178 169 D HA 0.005 4.641 4.640 -0.007 0.000 0.201 169 D C 1.789 178.020 176.300 -0.115 0.000 0.980 169 D CA 0.708 54.640 54.000 -0.113 0.000 0.842 169 D CB -0.295 40.478 40.800 -0.045 0.000 0.948 169 D HN 0.376 8.746 8.370 0.000 0.000 0.472 170 I N 0.524 121.033 120.570 -0.102 0.000 2.202 170 I HA -0.206 3.960 4.170 -0.007 0.000 0.242 170 I C 2.375 178.435 176.117 -0.096 0.000 1.091 170 I CA 0.567 61.864 61.300 -0.006 0.000 1.368 170 I CB -0.126 37.956 38.000 0.136 0.000 1.058 170 I HN -0.034 8.176 8.210 0.000 0.000 0.410 171 L N 0.568 121.643 121.223 -0.247 0.000 2.079 171 L HA -0.233 4.102 4.340 -0.007 0.000 0.210 171 L C 2.756 179.508 176.870 -0.196 0.000 1.081 171 L CA 1.776 56.484 54.840 -0.220 0.000 0.752 171 L CB -0.843 40.988 42.059 -0.380 0.000 0.896 171 L HN 0.407 8.637 8.230 0.000 0.000 0.433 172 S N -0.342 115.231 115.700 -0.211 0.000 2.469 172 S HA -0.179 4.287 4.470 -0.007 0.000 0.238 172 S C 1.692 176.123 174.600 -0.283 0.000 0.998 172 S CA 0.928 59.009 58.200 -0.198 0.000 0.957 172 S CB -0.243 62.863 63.200 -0.157 0.000 0.764 172 S HN 0.470 8.780 8.310 0.000 0.000 0.514 173 K N 0.137 120.282 120.400 -0.425 0.000 2.393 173 K HA 0.324 4.640 4.320 -0.007 0.000 0.193 173 K C 1.831 177.831 176.600 -1.001 0.000 1.026 173 K CA 0.232 56.041 56.287 -0.796 0.000 1.064 173 K CB -0.145 31.677 32.500 -1.130 0.000 0.833 173 K HN 0.403 8.653 8.250 0.000 0.000 0.521 174 M N 0.361 119.647 119.600 -0.524 0.000 2.159 174 M HA -0.106 4.370 4.480 -0.007 0.000 0.263 174 M C 2.268 178.481 176.300 -0.146 0.000 1.063 174 M CA 1.717 56.890 55.300 -0.211 0.000 1.110 174 M CB -0.662 31.933 32.600 -0.008 0.000 1.374 174 M HN 0.356 8.646 8.290 0.000 0.000 0.411 175 G N 0.387 109.085 108.800 -0.171 0.000 2.513 175 G HA2 -0.249 3.706 3.960 -0.007 0.000 0.219 175 G HA3 -0.249 3.706 3.960 -0.007 0.000 0.219 175 G C 1.471 176.294 174.900 -0.127 0.000 1.160 175 G CA 1.247 46.278 45.100 -0.115 0.000 0.767 175 G HN 0.584 8.874 8.290 0.000 0.000 0.571 176 G N -1.049 107.603 108.800 -0.247 0.000 2.509 176 G HA2 -0.078 3.878 3.960 -0.007 0.000 0.218 176 G HA3 -0.078 3.878 3.960 -0.007 0.000 0.218 176 G C 1.180 176.046 174.900 -0.057 0.000 1.124 176 G CA 0.451 45.426 45.100 -0.208 0.000 0.776 176 G HN 0.444 8.734 8.290 0.000 0.000 0.547 177 W N -0.396 120.881 121.300 -0.039 0.000 3.316 177 W HA 0.517 5.172 4.660 -0.007 0.000 0.327 177 W C -0.114 176.356 176.519 -0.083 0.000 1.232 177 W CA -1.134 56.179 57.345 -0.054 0.000 1.805 177 W CB -0.305 29.128 29.460 -0.045 0.000 1.090 177 W HN 0.004 8.184 8.180 0.000 0.000 0.654 178 L N 1.532 122.805 121.223 0.084 0.000 2.294 178 L HA 0.543 4.879 4.340 -0.007 0.000 0.283 178 L C -0.709 176.125 176.870 -0.061 0.000 1.015 178 L CA -0.446 54.370 54.840 -0.040 0.000 0.831 178 L CB 0.345 42.364 42.059 -0.068 0.000 1.217 178 L HN -0.232 7.998 8.230 0.000 0.000 0.420 179 L N 5.430 126.604 121.223 -0.081 0.000 2.303 179 L HA 0.695 5.031 4.340 -0.007 0.000 0.266 179 L C -2.080 174.739 176.870 -0.085 0.000 1.011 179 L CA -2.204 52.598 54.840 -0.064 0.000 0.818 179 L CB 1.474 43.510 42.059 -0.038 0.000 1.326 179 L HN 0.430 8.660 8.230 0.000 0.000 0.435 180 P HA 0.012 4.432 4.420 0.000 0.000 0.264 180 P C -0.186 177.079 177.300 -0.058 0.000 1.183 180 P CA 0.116 63.183 63.100 -0.056 0.000 0.763 180 P CB 0.436 32.113 31.700 -0.037 0.000 0.807 181 G N 2.187 110.952 108.800 -0.058 0.000 2.525 181 G HA2 0.211 4.166 3.960 -0.007 0.000 0.287 181 G HA3 0.211 4.166 3.960 -0.007 0.000 0.287 181 G C 0.731 175.611 174.900 -0.033 0.000 1.350 181 G CA -0.561 44.510 45.100 -0.049 0.000 1.039 181 G HN 0.524 8.814 8.290 0.000 0.000 0.513 182 K N -1.234 119.150 120.400 -0.027 0.000 2.283 182 K HA 0.051 4.367 4.320 -0.007 0.000 0.202 182 K C 0.062 176.653 176.600 -0.015 0.000 1.048 182 K CA 1.601 57.876 56.287 -0.019 0.000 0.948 182 K CB -0.142 32.348 32.500 -0.016 0.000 0.742 182 K HN 0.578 8.828 8.250 0.000 0.000 0.458 183 D N -2.508 117.883 120.400 -0.015 0.000 2.812 183 D HA 0.223 4.859 4.640 -0.007 0.000 0.318 183 D C 0.465 176.758 176.300 -0.011 0.000 1.234 183 D CA -0.649 53.344 54.000 -0.010 0.000 0.989 183 D CB 0.240 41.037 40.800 -0.006 0.000 1.442 183 D HN -0.115 8.255 8.370 0.000 0.000 0.537 184 G N -1.378 107.419 108.800 -0.006 0.000 2.848 184 G HA2 -0.055 3.901 3.960 -0.007 0.000 0.208 184 G HA3 -0.055 3.901 3.960 -0.007 0.000 0.208 184 G C 0.284 175.186 174.900 0.003 0.000 1.152 184 G CA 0.003 45.101 45.100 -0.003 0.000 0.789 184 G HN 0.499 8.789 8.290 0.000 0.000 0.531 185 N N -0.639 118.064 118.700 0.004 0.000 2.184 185 N HA 0.141 4.877 4.740 -0.007 0.000 0.206 185 N C 0.059 175.578 175.510 0.015 0.000 1.151 185 N CA 0.237 53.295 53.050 0.013 0.000 0.878 185 N CB 0.972 39.467 38.487 0.014 0.000 1.014 185 N HN 0.299 8.680 8.380 0.000 0.000 0.512 186 T N -2.175 112.378 114.554 -0.001 0.000 2.864 186 T HA 0.674 5.020 4.350 -0.007 0.000 0.299 186 T C -0.531 174.142 174.700 -0.045 0.000 1.166 186 T CA -0.826 61.267 62.100 -0.010 0.000 1.007 186 T CB 1.753 70.614 68.868 -0.012 0.000 1.219 186 T HN -0.144 8.096 8.240 0.000 0.000 0.506 187 V N -1.622 118.245 119.914 -0.078 0.000 3.158 187 V HA 0.892 5.007 4.120 -0.007 0.000 0.311 187 V C -1.073 174.937 176.094 -0.140 0.000 1.181 187 V CA -1.359 60.850 62.300 -0.152 0.000 1.054 187 V CB 1.879 33.504 31.823 -0.329 0.000 1.085 187 V HN 1.287 9.477 8.190 0.000 0.000 0.446 188 K N 1.526 121.835 120.400 -0.152 0.000 2.413 188 K HA 0.695 5.010 4.320 -0.007 0.000 0.257 188 K C -1.835 174.677 176.600 -0.147 0.000 0.946 188 K CA -0.729 55.483 56.287 -0.124 0.000 0.823 188 K CB 1.835 34.285 32.500 -0.082 0.000 1.109 188 K HN 0.798 9.048 8.250 0.000 0.000 0.427 189 L N 3.821 124.949 121.223 -0.159 0.000 2.282 189 L HA 0.332 4.668 4.340 -0.007 0.000 0.288 189 L C -0.593 176.190 176.870 -0.144 0.000 1.033 189 L CA -0.087 54.654 54.840 -0.165 0.000 0.807 189 L CB 1.429 43.337 42.059 -0.252 0.000 1.209 189 L HN 0.680 8.910 8.230 0.000 0.000 0.423 190 D N 3.664 124.008 120.400 -0.094 0.000 2.608 190 D HA 0.027 4.663 4.640 -0.007 0.000 0.224 190 D C 1.367 177.490 176.300 -0.294 0.000 1.123 190 D CA 0.159 54.060 54.000 -0.166 0.000 1.030 190 D CB 0.378 41.094 40.800 -0.139 0.000 1.093 190 D HN 0.463 8.833 8.370 0.000 0.000 0.497 191 V N 1.236 120.995 119.914 -0.258 0.000 2.392 191 V HA -0.221 3.894 4.120 -0.007 0.000 0.249 191 V C 2.019 177.959 176.094 -0.257 0.000 1.059 191 V CA 1.798 63.938 62.300 -0.265 0.000 1.051 191 V CB -1.252 30.433 31.823 -0.230 0.000 0.658 191 V HN 0.304 8.494 8.190 0.000 0.000 0.455 192 T N 1.005 115.414 114.554 -0.241 0.000 2.708 192 T HA -0.143 4.202 4.350 -0.007 0.000 0.266 192 T C 2.129 176.636 174.700 -0.322 0.000 1.037 192 T CA 2.137 64.106 62.100 -0.219 0.000 1.146 192 T CB -0.459 68.314 68.868 -0.158 0.000 0.865 192 T HN 0.646 8.886 8.240 0.000 0.000 0.435 193 S N 1.323 116.717 115.700 -0.509 0.000 2.402 193 S HA 0.009 4.475 4.470 -0.007 0.000 0.229 193 S C 1.914 175.873 174.600 -1.067 0.000 1.021 193 S CA 0.496 58.248 58.200 -0.746 0.000 0.974 193 S CB -0.389 62.221 63.200 -0.984 0.000 0.800 193 S HN 0.261 8.571 8.310 0.000 0.000 0.484 194 L N 2.279 122.845 121.223 -1.096 0.000 2.044 194 L HA 0.085 4.420 4.340 -0.007 0.000 0.205 194 L C 2.142 178.874 176.870 -0.231 0.000 1.075 194 L CA 1.836 56.223 54.840 -0.755 0.000 0.747 194 L CB -0.659 41.210 42.059 -0.316 0.000 0.903 194 L HN 0.125 8.355 8.230 0.000 0.000 0.435 195 K N -0.601 119.697 120.400 -0.170 0.000 2.032 195 K HA -0.216 4.099 4.320 -0.007 0.000 0.209 195 K C 1.921 178.502 176.600 -0.031 0.000 1.048 195 K CA 1.753 58.017 56.287 -0.038 0.000 0.927 195 K CB -0.134 32.340 32.500 -0.044 0.000 0.712 195 K HN 0.370 8.620 8.250 0.000 0.000 0.441 196 N N 1.532 120.176 118.700 -0.093 0.000 2.069 196 N HA -0.163 4.573 4.740 -0.007 0.000 0.191 196 N C 1.329 176.842 175.510 0.005 0.000 1.031 196 N CA 1.711 54.732 53.050 -0.049 0.000 0.852 196 N CB -0.618 37.823 38.487 -0.077 0.000 1.018 196 N HN 0.270 8.650 8.380 0.000 0.000 0.423 197 D N 0.435 120.832 120.400 -0.004 0.000 2.123 197 D HA -0.081 4.554 4.640 -0.007 0.000 0.196 197 D C 2.108 178.505 176.300 0.162 0.000 0.992 197 D CA 0.608 54.679 54.000 0.120 0.000 0.833 197 D CB -0.325 40.626 40.800 0.252 0.000 0.954 197 D HN 0.227 8.597 8.370 0.000 0.000 0.455 198 L N 0.438 121.759 121.223 0.163 0.000 2.056 198 L HA -0.129 4.207 4.340 -0.007 0.000 0.207 198 L C 2.106 179.068 176.870 0.155 0.000 1.078 198 L CA 0.774 55.734 54.840 0.200 0.000 0.749 198 L CB -0.367 41.828 42.059 0.227 0.000 0.901 198 L HN 0.009 8.239 8.230 0.000 0.000 0.433 199 N N -0.291 118.475 118.700 0.111 0.000 2.166 199 N HA -0.136 4.599 4.740 -0.007 0.000 0.186 199 N C 2.024 177.592 175.510 0.096 0.000 1.019 199 N CA 1.458 54.562 53.050 0.089 0.000 0.856 199 N CB -0.153 38.367 38.487 0.056 0.000 0.993 199 N HN 0.169 8.549 8.380 0.000 0.000 0.426 200 S N 0.948 116.708 115.700 0.099 0.000 2.399 200 S HA -0.088 4.378 4.470 -0.007 0.000 0.231 200 S C 1.869 176.560 174.600 0.152 0.000 1.022 200 S CA 0.471 58.734 58.200 0.104 0.000 0.983 200 S CB -0.179 63.080 63.200 0.098 0.000 0.803 200 S HN 0.201 8.511 8.310 0.000 0.000 0.480 201 L N 1.730 123.076 121.223 0.205 0.000 2.044 201 L HA 0.013 4.349 4.340 -0.007 0.000 0.205 201 L C 2.225 179.301 176.870 0.343 0.000 1.075 201 L CA 1.447 56.478 54.840 0.318 0.000 0.747 201 L CB -0.794 41.442 42.059 0.294 0.000 0.903 201 L HN 0.104 8.334 8.230 0.000 0.000 0.435 202 V N 0.409 120.460 119.914 0.227 0.000 2.252 202 V HA -0.386 3.730 4.120 -0.007 0.000 0.249 202 V C 2.208 178.379 176.094 0.129 0.000 1.056 202 V CA 2.458 64.862 62.300 0.172 0.000 1.022 202 V CB -1.033 30.860 31.823 0.116 0.000 0.641 202 V HN 0.584 8.774 8.190 0.000 0.000 0.445 203 N N -0.295 118.463 118.700 0.097 0.000 2.120 203 N HA -0.226 4.510 4.740 -0.007 0.000 0.188 203 N C 1.944 177.461 175.510 0.012 0.000 1.024 203 N CA 1.335 54.413 53.050 0.047 0.000 0.852 203 N CB -0.224 38.284 38.487 0.035 0.000 1.003 203 N HN 0.465 8.845 8.380 0.000 0.000 0.424 204 K N 0.406 120.817 120.400 0.019 0.000 2.057 204 K HA -0.140 4.175 4.320 -0.007 0.000 0.207 204 K C 0.754 177.168 176.600 -0.309 0.000 1.049 204 K CA 1.327 57.525 56.287 -0.148 0.000 0.931 204 K CB -0.016 32.378 32.500 -0.177 0.000 0.714 204 K HN 0.286 8.536 8.250 0.000 0.000 0.440 205 Y N -0.295 119.989 120.300 -0.027 0.000 2.457 205 Y HA 0.109 4.654 4.550 -0.007 0.000 0.263 205 Y C 1.371 177.179 175.900 -0.153 0.000 1.164 205 Y CA -0.133 57.887 58.100 -0.133 0.000 1.274 205 Y CB 0.290 38.602 38.460 -0.247 0.000 1.097 205 Y HN 0.133 8.413 8.280 0.000 0.000 0.523 206 N N 0.174 118.871 118.700 -0.004 0.000 2.422 206 N HA -0.021 4.715 4.740 -0.007 0.000 0.181 206 N C 0.219 175.707 175.510 -0.036 0.000 1.080 206 N CA 0.346 53.386 53.050 -0.016 0.000 0.893 206 N CB 0.222 38.714 38.487 0.009 0.000 0.973 206 N HN 0.371 8.751 8.380 0.000 0.000 0.456 207 Q N -0.318 119.440 119.800 -0.069 0.000 2.407 207 Q HA 0.285 4.621 4.340 -0.007 0.000 0.214 207 Q C -0.318 175.625 176.000 -0.095 0.000 1.043 207 Q CA -0.056 55.704 55.803 -0.072 0.000 0.983 207 Q CB 1.343 30.023 28.738 -0.096 0.000 1.211 207 Q HN 0.166 8.436 8.270 0.000 0.000 0.564 208 I N 2.449 122.957 120.570 -0.104 0.000 2.405 208 I HA 0.250 4.416 4.170 -0.007 0.000 0.280 208 I C -0.762 175.189 176.117 -0.276 0.000 1.027 208 I CA -0.344 60.835 61.300 -0.201 0.000 1.161 208 I CB 0.413 38.262 38.000 -0.251 0.000 1.300 208 I HN 0.694 8.904 8.210 0.000 0.000 0.463 209 N N 2.032 120.594 118.700 -0.230 0.000 3.378 209 N HA 0.142 4.878 4.740 -0.007 0.000 0.294 209 N C 0.361 175.769 175.510 -0.170 0.000 1.544 209 N CA -0.433 52.492 53.050 -0.207 0.000 0.872 209 N CB 0.411 38.799 38.487 -0.165 0.000 1.670 209 N HN 0.135 8.515 8.380 0.000 0.000 0.551 210 S N -1.360 114.258 115.700 -0.137 0.000 2.507 210 S HA -0.058 4.408 4.470 -0.007 0.000 0.235 210 S C 0.684 175.240 174.600 -0.073 0.000 0.988 210 S CA 0.622 58.760 58.200 -0.103 0.000 0.944 210 S CB -0.677 62.473 63.200 -0.082 0.000 0.762 210 S HN 0.531 8.841 8.310 0.000 0.000 0.526 211 N N 1.642 120.290 118.700 -0.086 0.000 2.457 211 N HA 0.008 4.744 4.740 -0.007 0.000 0.180 211 N C 1.656 177.173 175.510 0.012 0.000 1.050 211 N CA 1.621 54.648 53.050 -0.038 0.000 0.906 211 N CB -0.048 38.328 38.487 -0.185 0.000 0.968 211 N HN 0.860 9.240 8.380 0.000 0.000 0.445 212 T N -3.952 110.559 114.554 -0.072 0.000 2.964 212 T HA 0.214 4.560 4.350 -0.007 0.000 0.250 212 T C 0.520 175.154 174.700 -0.110 0.000 0.982 212 T CA -0.164 61.884 62.100 -0.086 0.000 0.959 212 T CB -0.010 68.786 68.868 -0.120 0.000 1.141 212 T HN -0.248 7.992 8.240 0.000 0.000 0.494 213 V N 3.442 123.289 119.914 -0.110 0.000 2.432 213 V HA 0.380 4.496 4.120 -0.007 0.000 0.271 213 V C 1.235 177.280 176.094 -0.083 0.000 1.046 213 V CA -0.366 61.868 62.300 -0.110 0.000 0.945 213 V CB 1.061 32.789 31.823 -0.159 0.000 0.992 213 V HN 0.422 8.612 8.190 0.000 0.000 0.471 214 L N 4.560 125.758 121.223 -0.042 0.000 2.202 214 L HA 0.291 4.626 4.340 -0.007 0.000 0.205 214 L C 0.356 177.199 176.870 -0.045 0.000 1.083 214 L CA 1.109 55.941 54.840 -0.014 0.000 0.790 214 L CB 0.111 42.206 42.059 0.059 0.000 0.942 214 L HN 0.588 8.818 8.230 0.000 0.000 0.452 215 F N 0.180 120.010 119.950 -0.201 0.000 2.604 215 F HA 0.504 5.027 4.527 -0.007 0.000 0.316 215 F C -2.913 172.792 175.800 -0.158 0.000 1.136 215 F CA -2.357 55.466 58.000 -0.295 0.000 0.989 215 F CB 1.537 40.243 39.000 -0.490 0.000 1.258 215 F HN -0.306 7.994 8.300 0.000 0.000 0.451 216 P HA 0.316 4.736 4.420 0.000 0.000 0.272 216 P C -1.041 176.010 177.300 -0.415 0.000 1.240 216 P CA -0.231 62.240 63.100 -1.048 0.000 0.791 216 P CB 0.677 31.908 31.700 -0.783 0.000 0.978 217 A N 2.077 124.742 122.820 -0.258 0.000 2.531 217 A HA 0.113 4.429 4.320 -0.007 0.000 0.236 217 A C 0.153 177.644 177.584 -0.156 0.000 1.062 217 A CA 0.250 52.191 52.037 -0.161 0.000 0.760 217 A CB -0.394 18.546 19.000 -0.100 0.000 0.995 217 A HN 0.402 8.552 8.150 0.000 0.000 0.501 218 Q N 0.568 120.290 119.800 -0.129 0.000 2.257 218 Q HA 0.699 5.034 4.340 -0.007 0.000 0.262 218 Q C -0.408 175.542 176.000 -0.085 0.000 0.997 218 Q CA -0.165 55.565 55.803 -0.120 0.000 0.873 218 Q CB 1.833 30.493 28.738 -0.130 0.000 1.312 218 Q HN 1.071 9.341 8.270 0.000 0.000 0.450 219 S N -1.475 114.180 115.700 -0.076 0.000 2.580 219 S HA 0.706 5.171 4.470 -0.007 0.000 0.281 219 S C 0.029 174.600 174.600 -0.048 0.000 1.129 219 S CA -0.132 58.036 58.200 -0.054 0.000 0.862 219 S CB 1.289 64.463 63.200 -0.043 0.000 1.090 219 S HN 1.139 9.449 8.310 0.000 0.000 0.451 220 G N 1.950 110.727 108.800 -0.038 0.000 2.562 220 G HA2 -0.222 3.733 3.960 -0.007 0.000 0.250 220 G HA3 -0.222 3.733 3.960 -0.007 0.000 0.250 220 G C 0.848 175.727 174.900 -0.035 0.000 1.269 220 G CA 0.565 45.646 45.100 -0.031 0.000 0.919 220 G HN 1.854 10.144 8.290 0.000 0.000 0.574 221 S N 0.139 115.822 115.700 -0.028 0.000 2.414 221 S HA 0.255 4.721 4.470 -0.007 0.000 0.227 221 S C 1.839 176.421 174.600 -0.031 0.000 1.022 221 S CA 1.647 59.831 58.200 -0.026 0.000 0.958 221 S CB -0.966 62.224 63.200 -0.016 0.000 0.797 221 S HN 1.723 10.033 8.310 0.000 0.000 0.493 222 G N 0.585 109.364 108.800 -0.035 0.000 2.712 222 G HA2 0.368 4.324 3.960 -0.007 0.000 0.258 222 G HA3 0.368 4.324 3.960 -0.007 0.000 0.258 222 G C -0.764 174.093 174.900 -0.071 0.000 1.241 222 G CA -0.352 44.727 45.100 -0.035 0.000 0.923 222 G HN 0.250 8.540 8.290 0.000 0.000 0.548 223 V N 0.888 120.756 119.914 -0.076 0.000 2.370 223 V HA 0.251 4.367 4.120 -0.007 0.000 0.283 223 V C 0.167 176.189 176.094 -0.121 0.000 1.023 223 V CA -0.598 61.588 62.300 -0.189 0.000 0.857 223 V CB 1.226 32.765 31.823 -0.473 0.000 0.985 223 V HN 0.608 8.798 8.190 0.000 0.000 0.443 224 K N 4.172 124.484 120.400 -0.148 0.000 2.234 224 K HA 0.626 4.942 4.320 -0.007 0.000 0.282 224 K C -0.345 176.156 176.600 -0.166 0.000 1.039 224 K CA -0.347 55.862 56.287 -0.130 0.000 0.928 224 K CB 1.686 34.098 32.500 -0.147 0.000 1.039 224 K HN 0.604 8.854 8.250 0.000 0.000 0.470 225 V N -1.317 118.533 119.914 -0.107 0.000 3.126 225 V HA 0.924 5.039 4.120 -0.007 0.000 0.314 225 V C -0.722 175.330 176.094 -0.069 0.000 1.138 225 V CA -1.005 61.243 62.300 -0.086 0.000 1.034 225 V CB 1.740 33.574 31.823 0.017 0.000 1.075 225 V HN 0.835 9.025 8.190 0.000 0.000 0.442 226 A N 0.883 123.705 122.820 0.003 0.000 2.435 226 A HA 0.910 5.226 4.320 -0.007 0.000 0.296 226 A C 0.248 177.967 177.584 0.225 0.000 1.147 226 A CA -0.139 51.960 52.037 0.105 0.000 0.775 226 A CB 1.322 20.429 19.000 0.177 0.000 1.340 226 A HN 1.870 10.020 8.150 0.000 0.000 0.427 227 T N -1.592 113.093 114.554 0.218 0.000 2.903 227 T HA 0.120 4.466 4.350 -0.007 0.000 0.314 227 T C 0.890 175.708 174.700 0.197 0.000 1.078 227 T CA 0.675 62.901 62.100 0.210 0.000 1.114 227 T CB 0.631 69.581 68.868 0.137 0.000 0.987 227 T HN 0.746 8.986 8.240 0.000 0.000 0.548 228 E N 1.258 121.486 120.200 0.047 0.000 2.097 228 E HA -0.241 4.105 4.350 -0.007 0.000 0.196 228 E C 2.307 178.804 176.600 -0.171 0.000 1.000 228 E CA 1.374 57.505 56.400 -0.448 0.000 0.804 228 E CB -0.527 28.710 29.700 -0.771 0.000 0.740 228 E HN 0.862 9.222 8.360 0.000 0.000 0.454 229 A N 0.956 123.745 122.820 -0.052 0.000 1.902 229 A HA -0.223 4.093 4.320 -0.007 0.000 0.217 229 A C 1.913 179.521 177.584 0.039 0.000 1.181 229 A CA 1.672 53.700 52.037 -0.015 0.000 0.623 229 A CB -0.448 18.553 19.000 0.002 0.000 0.818 229 A HN 0.299 8.449 8.150 0.000 0.000 0.443 230 E N -0.373 119.903 120.200 0.127 0.000 2.072 230 E HA -0.059 4.287 4.350 -0.007 0.000 0.191 230 E C 2.305 179.079 176.600 0.291 0.000 0.985 230 E CA 0.876 57.408 56.400 0.220 0.000 0.801 230 E CB -0.258 29.681 29.700 0.399 0.000 0.750 230 E HN 0.611 8.971 8.360 0.000 0.000 0.452 231 A N 1.355 124.392 122.820 0.362 0.000 1.930 231 A HA -0.157 4.158 4.320 -0.007 0.000 0.217 231 A C 2.038 179.746 177.584 0.206 0.000 1.175 231 A CA 1.085 53.374 52.037 0.420 0.000 0.627 231 A CB -0.298 18.945 19.000 0.405 0.000 0.815 231 A HN 0.056 8.206 8.150 0.000 0.000 0.443 232 R N -0.216 120.328 120.500 0.074 0.000 2.081 232 R HA -0.197 4.139 4.340 -0.007 0.000 0.235 232 R C 2.601 178.898 176.300 -0.005 0.000 1.131 232 R CA 1.662 57.773 56.100 0.017 0.000 0.960 232 R CB -0.411 29.866 30.300 -0.040 0.000 0.856 232 R HN 0.917 9.187 8.270 0.000 0.000 0.436 233 Q N -0.151 119.622 119.800 -0.045 0.000 2.061 233 Q HA -0.218 4.118 4.340 -0.007 0.000 0.204 233 Q C 1.676 177.532 176.000 -0.240 0.000 0.984 233 Q CA 1.764 57.472 55.803 -0.159 0.000 0.846 233 Q CB -0.567 28.043 28.738 -0.212 0.000 0.902 233 Q HN 0.399 8.669 8.270 0.000 0.000 0.421 234 W N 0.605 121.773 121.300 -0.220 0.000 2.388 234 W HA -0.068 4.587 4.660 -0.007 0.000 0.294 234 W C 2.159 178.601 176.519 -0.127 0.000 1.212 234 W CA 0.532 57.709 57.345 -0.279 0.000 1.271 234 W CB -0.219 28.883 29.460 -0.596 0.000 1.126 234 W HN 0.258 8.438 8.180 0.000 0.000 0.535 235 L N 0.058 121.378 121.223 0.162 0.000 2.013 235 L HA -0.273 4.062 4.340 -0.007 0.000 0.212 235 L C 2.622 179.531 176.870 0.065 0.000 1.073 235 L CA 2.456 57.367 54.840 0.118 0.000 0.753 235 L CB -1.230 40.886 42.059 0.096 0.000 0.890 235 L HN -0.060 8.170 8.230 0.000 0.000 0.432 236 S N -1.105 114.603 115.700 0.014 0.000 2.355 236 S HA -0.226 4.240 4.470 -0.007 0.000 0.222 236 S C 2.011 176.601 174.600 -0.017 0.000 1.031 236 S CA 1.265 59.458 58.200 -0.012 0.000 0.993 236 S CB -0.390 62.783 63.200 -0.044 0.000 0.859 236 S HN 0.613 8.923 8.310 0.000 0.000 0.453 237 E N 1.201 121.359 120.200 -0.069 0.000 2.097 237 E HA -0.114 4.232 4.350 -0.007 0.000 0.196 237 E C 1.720 178.370 176.600 0.084 0.000 1.000 237 E CA 1.568 57.931 56.400 -0.061 0.000 0.804 237 E CB -0.530 28.981 29.700 -0.315 0.000 0.740 237 E HN 0.648 9.008 8.360 0.000 0.000 0.454 238 L N -0.175 121.122 121.223 0.123 0.000 2.554 238 L HA 0.099 4.435 4.340 -0.007 0.000 0.226 238 L C 0.766 177.692 176.870 0.093 0.000 1.137 238 L CA 0.439 55.368 54.840 0.149 0.000 0.863 238 L CB -0.453 41.699 42.059 0.155 0.000 0.985 238 L HN 0.210 8.440 8.230 0.000 0.000 0.451 239 N N 0.380 119.120 118.700 0.065 0.000 2.754 239 N HA -0.196 4.540 4.740 -0.007 0.000 0.248 239 N C -0.476 175.059 175.510 0.043 0.000 1.093 239 N CA 0.502 53.578 53.050 0.042 0.000 0.699 239 N CB -1.234 37.272 38.487 0.032 0.000 1.016 239 N HN 0.248 8.628 8.380 0.000 0.000 0.552 240 L N -0.099 121.160 121.223 0.060 0.000 2.399 240 L HA 0.596 4.932 4.340 -0.007 0.000 0.265 240 L C -1.463 175.442 176.870 0.058 0.000 1.089 240 L CA -1.866 53.014 54.840 0.068 0.000 0.802 240 L CB 0.631 42.749 42.059 0.099 0.000 1.180 240 L HN -0.007 8.223 8.230 0.000 0.000 0.454 241 P HA 0.114 4.534 4.420 0.000 0.000 0.270 241 P C -0.168 177.162 177.300 0.051 0.000 1.223 241 P CA -0.126 63.002 63.100 0.047 0.000 0.785 241 P CB 0.423 32.150 31.700 0.045 0.000 0.923 242 N N 0.007 118.732 118.700 0.043 0.000 2.258 242 N HA -0.182 4.554 4.740 -0.007 0.000 0.187 242 N C 1.398 176.942 175.510 0.056 0.000 1.012 242 N CA 1.341 54.419 53.050 0.046 0.000 0.870 242 N CB -0.299 38.210 38.487 0.036 0.000 0.977 242 N HN 0.455 8.835 8.380 0.000 0.000 0.434 243 S N -0.614 115.117 115.700 0.052 0.000 2.507 243 S HA 0.021 4.487 4.470 -0.007 0.000 0.235 243 S C 1.697 176.332 174.600 0.058 0.000 0.988 243 S CA 0.536 58.767 58.200 0.052 0.000 0.944 243 S CB 0.080 63.305 63.200 0.041 0.000 0.762 243 S HN 0.085 8.395 8.310 0.000 0.000 0.526 244 S N 0.853 116.593 115.700 0.066 0.000 2.562 244 S HA 0.286 4.751 4.470 -0.007 0.000 0.221 244 S C 0.263 174.922 174.600 0.098 0.000 0.975 244 S CA -0.257 57.987 58.200 0.072 0.000 0.918 244 S CB -0.298 62.954 63.200 0.087 0.000 0.772 244 S HN 0.515 8.825 8.310 0.000 0.000 0.531 245 L N 2.804 124.095 121.223 0.112 0.000 2.260 245 L HA 0.425 4.760 4.340 -0.007 0.000 0.289 245 L C -0.502 176.480 176.870 0.188 0.000 1.057 245 L CA 0.279 55.216 54.840 0.161 0.000 0.811 245 L CB 0.340 42.483 42.059 0.140 0.000 1.184 245 L HN -0.161 8.069 8.230 0.000 0.000 0.429 246 K N 2.946 123.472 120.400 0.210 0.000 2.371 246 K HA 0.541 4.857 4.320 -0.007 0.000 0.251 246 K C -0.608 176.058 176.600 0.111 0.000 0.934 246 K CA -0.683 55.697 56.287 0.156 0.000 0.798 246 K CB 1.910 34.460 32.500 0.084 0.000 1.204 246 K HN 0.709 8.959 8.250 0.000 0.000 0.427 247 S N 1.294 116.961 115.700 -0.054 0.000 2.584 247 S HA 0.333 4.799 4.470 -0.007 0.000 0.273 247 S C -0.852 173.654 174.600 -0.157 0.000 1.311 247 S CA -0.506 57.429 58.200 -0.442 0.000 1.034 247 S CB 0.512 63.395 63.200 -0.530 0.000 0.939 247 S HN 0.626 8.936 8.310 0.000 0.000 0.513 248 Y N 1.499 121.609 120.300 -0.318 0.000 2.330 248 Y HA 0.511 5.057 4.550 -0.007 0.000 0.324 248 Y C 0.722 176.515 175.900 -0.178 0.000 1.093 248 Y CA 0.363 58.349 58.100 -0.189 0.000 1.103 248 Y CB 0.903 39.282 38.460 -0.135 0.000 1.183 248 Y HN 1.261 9.541 8.280 0.000 0.000 0.433 249 G N 2.868 111.334 108.800 -0.556 0.000 2.660 249 G HA2 -0.429 3.527 3.960 -0.007 0.000 0.321 249 G HA3 -0.429 3.527 3.960 -0.007 0.000 0.321 249 G C 1.129 175.920 174.900 -0.183 0.000 1.246 249 G CA 1.015 45.907 45.100 -0.348 0.000 1.000 249 G HN 1.452 9.742 8.290 0.000 0.000 0.550 250 S N 0.827 116.473 115.700 -0.090 0.000 2.603 250 S HA 0.516 4.981 4.470 -0.007 0.000 0.220 250 S C 1.120 175.712 174.600 -0.013 0.000 0.967 250 S CA 1.013 59.187 58.200 -0.043 0.000 0.920 250 S CB 0.169 63.363 63.200 -0.010 0.000 0.773 250 S HN 2.153 10.463 8.310 0.000 0.000 0.529 251 G N -0.548 108.218 108.800 -0.057 0.000 2.827 251 G HA2 0.591 4.546 3.960 -0.007 0.000 0.202 251 G HA3 0.591 4.546 3.960 -0.007 0.000 0.202 251 G C -1.858 172.881 174.900 -0.268 0.000 1.185 251 G CA -0.815 44.293 45.100 0.012 0.000 0.920 251 G HN 0.260 8.550 8.290 0.000 0.000 0.550 252 Y N -0.991 119.352 120.300 0.072 0.000 2.553 252 Y HA 0.630 5.175 4.550 -0.007 0.000 0.347 252 Y C 0.170 176.100 175.900 0.050 0.000 1.019 252 Y CA -0.827 57.322 58.100 0.082 0.000 1.032 252 Y CB 2.653 41.175 38.460 0.105 0.000 1.284 252 Y HN 0.549 8.829 8.280 0.000 0.000 0.466 253 V N -0.962 119.068 119.914 0.194 0.000 3.102 253 V HA 0.875 4.991 4.120 -0.007 0.000 0.312 253 V C -1.443 174.749 176.094 0.164 0.000 1.135 253 V CA -1.061 61.292 62.300 0.087 0.000 1.022 253 V CB 1.730 33.528 31.823 -0.041 0.000 1.056 253 V HN 0.461 8.651 8.190 0.000 0.000 0.436 254 V N 2.124 122.129 119.914 0.151 0.000 2.448 254 V HA 0.756 4.872 4.120 -0.007 0.000 0.295 254 V C 0.422 176.561 176.094 0.074 0.000 1.025 254 V CA 0.395 62.790 62.300 0.158 0.000 0.859 254 V CB 1.584 33.547 31.823 0.232 0.000 0.988 254 V HN 1.303 9.493 8.190 0.000 0.000 0.431 255 T N 0.703 115.287 114.554 0.049 0.000 2.910 255 T HA 0.728 5.073 4.350 -0.007 0.000 0.287 255 T C 0.065 174.745 174.700 -0.033 0.000 1.050 255 T CA -0.673 61.413 62.100 -0.023 0.000 1.011 255 T CB 1.716 70.552 68.868 -0.053 0.000 1.195 255 T HN 0.850 9.090 8.240 0.000 0.000 0.540 256 V N -0.622 119.173 119.914 -0.199 0.000 3.032 256 V HA 0.271 4.387 4.120 -0.007 0.000 0.307 256 V C 0.095 176.080 176.094 -0.183 0.000 1.097 256 V CA -0.545 61.536 62.300 -0.366 0.000 1.191 256 V CB -0.098 31.019 31.823 -1.176 0.000 0.964 256 V HN 0.977 9.167 8.190 0.000 0.000 0.494 257 D N 2.578 123.004 120.400 0.043 0.000 2.316 257 D HA 0.321 4.957 4.640 -0.007 0.000 0.245 257 D C 0.650 176.986 176.300 0.061 0.000 1.171 257 D CA -0.112 53.941 54.000 0.089 0.000 0.856 257 D CB 0.923 41.830 40.800 0.179 0.000 1.090 257 D HN 0.601 8.971 8.370 0.000 0.000 0.476 258 L N 2.868 124.099 121.223 0.013 0.000 2.567 258 L HA 0.044 4.379 4.340 -0.007 0.000 0.225 258 L C 2.437 179.330 176.870 0.038 0.000 1.119 258 L CA 0.434 55.300 54.840 0.044 0.000 0.871 258 L CB -0.543 41.531 42.059 0.025 0.000 1.036 258 L HN 0.528 8.758 8.230 0.000 0.000 0.459 259 T N -0.975 113.598 114.554 0.032 0.000 2.653 259 T HA -0.143 4.203 4.350 -0.007 0.000 0.268 259 T C -0.341 174.357 174.700 -0.004 0.000 1.035 259 T CA 1.378 63.489 62.100 0.019 0.000 1.154 259 T CB -1.553 67.328 68.868 0.022 0.000 0.862 259 T HN 0.147 8.387 8.240 0.000 0.000 0.441 260 P HA 0.103 4.523 4.420 0.000 0.000 0.218 260 P C 1.741 178.974 177.300 -0.111 0.000 1.149 260 P CA 0.741 63.787 63.100 -0.090 0.000 0.817 260 P CB -0.266 31.347 31.700 -0.144 0.000 0.785 261 L N -1.002 120.165 121.223 -0.095 0.000 2.056 261 L HA -0.196 4.140 4.340 -0.007 0.000 0.207 261 L C 2.589 179.475 176.870 0.027 0.000 1.078 261 L CA 1.592 56.404 54.840 -0.047 0.000 0.749 261 L CB -0.965 41.094 42.059 0.000 0.000 0.901 261 L HN -0.020 8.210 8.230 0.000 0.000 0.433 262 Q N -0.261 119.557 119.800 0.030 0.000 2.119 262 Q HA -0.234 4.102 4.340 -0.007 0.000 0.201 262 Q C 2.159 178.188 176.000 0.047 0.000 0.972 262 Q CA 1.292 57.123 55.803 0.046 0.000 0.847 262 Q CB -0.036 28.725 28.738 0.039 0.000 0.903 262 Q HN 0.141 8.411 8.270 0.000 0.000 0.433 263 K N 0.940 121.356 120.400 0.027 0.000 2.057 263 K HA -0.101 4.215 4.320 -0.007 0.000 0.207 263 K C 1.769 178.406 176.600 0.061 0.000 1.049 263 K CA 1.471 57.776 56.287 0.030 0.000 0.931 263 K CB -0.109 32.390 32.500 -0.001 0.000 0.714 263 K HN 0.148 8.398 8.250 0.000 0.000 0.440 264 M N -0.575 119.054 119.600 0.049 0.000 2.080 264 M HA -0.187 4.289 4.480 -0.007 0.000 0.260 264 M C 2.025 178.479 176.300 0.256 0.000 1.068 264 M CA 1.590 56.980 55.300 0.149 0.000 1.109 264 M CB -0.324 32.342 32.600 0.110 0.000 1.342 264 M HN -0.066 8.224 8.290 0.000 0.000 0.405 265 V N 0.301 120.326 119.914 0.186 0.000 2.332 265 V HA -0.302 3.814 4.120 -0.007 0.000 0.248 265 V C 2.253 178.428 176.094 0.136 0.000 1.055 265 V CA 1.883 64.280 62.300 0.162 0.000 1.038 265 V CB -0.830 31.062 31.823 0.116 0.000 0.651 265 V HN 0.529 8.719 8.190 0.000 0.000 0.450 266 Q N -0.488 119.380 119.800 0.114 0.000 2.084 266 Q HA -0.237 4.099 4.340 -0.007 0.000 0.202 266 Q C 2.055 178.133 176.000 0.129 0.000 0.978 266 Q CA 1.816 57.678 55.803 0.099 0.000 0.844 266 Q CB -0.252 28.530 28.738 0.075 0.000 0.898 266 Q HN 0.633 8.903 8.270 0.000 0.000 0.426 267 D N 0.429 120.936 120.400 0.180 0.000 2.178 267 D HA -0.104 4.532 4.640 -0.007 0.000 0.202 267 D C 1.798 178.284 176.300 0.309 0.000 0.974 267 D CA 0.833 54.981 54.000 0.247 0.000 0.841 267 D CB -0.100 40.866 40.800 0.276 0.000 0.953 267 D HN 0.261 8.631 8.370 0.000 0.000 0.478 268 I N 1.180 121.938 120.570 0.313 0.000 2.142 268 I HA -0.248 3.918 4.170 -0.007 0.000 0.240 268 I C 1.874 178.018 176.117 0.045 0.000 1.078 268 I CA 1.119 62.512 61.300 0.156 0.000 1.343 268 I CB -0.134 37.952 38.000 0.143 0.000 1.046 268 I HN -0.145 8.065 8.210 0.000 0.000 0.405 269 D N 1.005 121.441 120.400 0.060 0.000 2.149 269 D HA -0.157 4.478 4.640 -0.007 0.000 0.198 269 D C 2.185 178.504 176.300 0.032 0.000 0.990 269 D CA 1.523 55.541 54.000 0.030 0.000 0.839 269 D CB -0.619 40.202 40.800 0.035 0.000 0.948 269 D HN 0.433 8.803 8.370 0.000 0.000 0.460 270 G N 0.845 109.683 108.800 0.063 0.000 2.475 270 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.220 270 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.220 270 G C 1.712 176.642 174.900 0.050 0.000 1.125 270 G CA 0.428 45.569 45.100 0.067 0.000 0.755 270 G HN 0.307 8.597 8.290 0.000 0.000 0.565 271 L N 0.169 121.410 121.223 0.029 0.000 2.201 271 L HA 0.239 4.574 4.340 -0.007 0.000 0.212 271 L C 1.492 178.351 176.870 -0.019 0.000 1.105 271 L CA 0.582 55.417 54.840 -0.009 0.000 0.775 271 L CB -0.765 41.230 42.059 -0.106 0.000 0.913 271 L HN 0.500 8.730 8.230 0.000 0.000 0.440 272 G N -1.158 107.630 108.800 -0.019 0.000 2.440 272 G HA2 0.150 4.105 3.960 -0.007 0.000 0.684 272 G HA3 0.150 4.105 3.960 -0.007 0.000 0.684 272 G C -0.576 174.305 174.900 -0.032 0.000 1.309 272 G CA -0.735 44.355 45.100 -0.017 0.000 0.931 272 G HN 0.275 8.565 8.290 0.000 0.000 0.612 273 A N 1.851 124.656 122.820 -0.026 0.000 2.565 273 A HA 0.577 4.893 4.320 -0.007 0.000 0.237 273 A C -0.586 176.971 177.584 -0.044 0.000 1.053 273 A CA 0.452 52.470 52.037 -0.032 0.000 0.755 273 A CB -0.437 18.549 19.000 -0.023 0.000 0.980 273 A HN 0.889 9.039 8.150 0.000 0.000 0.506 274 P HA 0.267 4.687 4.420 0.000 0.000 0.273 274 P C 0.641 177.912 177.300 -0.048 0.000 1.250 274 P CA 0.143 63.205 63.100 -0.063 0.000 0.793 274 P CB 0.448 32.103 31.700 -0.074 0.000 1.011 275 G N 0.449 109.221 108.800 -0.048 0.000 2.508 275 G HA2 0.093 4.049 3.960 -0.007 0.000 0.278 275 G HA3 0.093 4.049 3.960 -0.007 0.000 0.278 275 G C 0.767 175.646 174.900 -0.036 0.000 1.389 275 G CA -0.500 44.578 45.100 -0.037 0.000 1.050 275 G HN 0.408 8.698 8.290 0.000 0.000 0.522 276 K N -0.098 120.284 120.400 -0.029 0.000 2.209 276 K HA -0.084 4.232 4.320 -0.007 0.000 0.204 276 K C 1.720 178.303 176.600 -0.029 0.000 1.048 276 K CA 1.438 57.709 56.287 -0.026 0.000 0.940 276 K CB 0.057 32.544 32.500 -0.021 0.000 0.729 276 K HN 0.587 8.837 8.250 0.000 0.000 0.451 277 D N -0.614 119.767 120.400 -0.032 0.000 2.349 277 D HA -0.010 4.625 4.640 -0.007 0.000 0.224 277 D C 0.231 176.505 176.300 -0.044 0.000 1.029 277 D CA 0.284 54.264 54.000 -0.033 0.000 0.879 277 D CB 0.308 41.090 40.800 -0.031 0.000 0.906 277 D HN -0.086 8.284 8.370 0.000 0.000 0.528 278 S N -1.437 114.231 115.700 -0.052 0.000 2.765 278 S HA -0.137 4.329 4.470 -0.007 0.000 0.266 278 S C 0.187 174.733 174.600 -0.090 0.000 1.302 278 S CA 0.611 58.770 58.200 -0.069 0.000 1.274 278 S CB -1.129 62.028 63.200 -0.073 0.000 1.559 278 S HN 0.535 8.845 8.310 0.000 0.000 0.658 279 K N 0.463 120.814 120.400 -0.081 0.000 2.258 279 K HA 0.718 5.033 4.320 -0.007 0.000 0.236 279 K C -0.632 175.914 176.600 -0.091 0.000 1.008 279 K CA -0.808 55.422 56.287 -0.094 0.000 0.869 279 K CB 1.392 33.846 32.500 -0.076 0.000 1.171 279 K HN 0.133 8.383 8.250 0.000 0.000 0.447 280 L N 2.311 123.470 121.223 -0.107 0.000 2.406 280 L HA 0.285 4.621 4.340 -0.007 0.000 0.270 280 L C -0.927 175.889 176.870 -0.091 0.000 0.982 280 L CA -0.590 54.191 54.840 -0.100 0.000 0.843 280 L CB 1.701 43.683 42.059 -0.128 0.000 1.225 280 L HN 0.736 8.966 8.230 0.000 0.000 0.412 281 E N 5.054 125.214 120.200 -0.066 0.000 2.360 281 E HA 0.429 4.775 4.350 -0.007 0.000 0.269 281 E C -1.127 175.449 176.600 -0.040 0.000 1.022 281 E CA 0.268 56.635 56.400 -0.054 0.000 0.887 281 E CB 0.831 30.508 29.700 -0.039 0.000 0.990 281 E HN 0.564 8.924 8.360 0.000 0.000 0.426 282 M N 3.259 122.841 119.600 -0.029 0.000 2.371 282 M HA 0.213 4.689 4.480 -0.007 0.000 0.287 282 M C -1.169 175.149 176.300 0.030 0.000 1.149 282 M CA -1.074 54.232 55.300 0.010 0.000 0.929 282 M CB 2.076 34.704 32.600 0.048 0.000 1.683 282 M HN 0.534 8.824 8.290 0.000 0.000 0.470 283 D N 1.007 121.434 120.400 0.046 0.000 2.423 283 D HA 0.066 4.702 4.640 -0.007 0.000 0.238 283 D C 0.645 177.004 176.300 0.098 0.000 1.142 283 D CA 0.616 54.648 54.000 0.054 0.000 0.884 283 D CB 0.795 41.624 40.800 0.048 0.000 1.199 283 D HN 0.657 9.027 8.370 0.000 0.000 0.438 284 N N 1.859 120.614 118.700 0.091 0.000 2.094 284 N HA -0.267 4.468 4.740 -0.007 0.000 0.191 284 N C 1.598 177.206 175.510 0.163 0.000 1.023 284 N CA 1.088 54.220 53.050 0.137 0.000 0.857 284 N CB -0.120 38.425 38.487 0.096 0.000 1.013 284 N HN 0.544 8.924 8.380 0.000 0.000 0.426 285 A N 1.447 124.333 122.820 0.111 0.000 1.902 285 A HA -0.201 4.115 4.320 -0.007 0.000 0.217 285 A C 2.077 179.726 177.584 0.109 0.000 1.181 285 A CA 1.375 53.469 52.037 0.094 0.000 0.623 285 A CB -0.430 18.610 19.000 0.067 0.000 0.818 285 A HN 0.229 8.379 8.150 0.000 0.000 0.443 286 K N -1.926 118.548 120.400 0.124 0.000 2.097 286 K HA -0.176 4.140 4.320 -0.007 0.000 0.205 286 K C 1.938 178.656 176.600 0.196 0.000 1.050 286 K CA 1.529 57.897 56.287 0.135 0.000 0.938 286 K CB -0.358 32.209 32.500 0.112 0.000 0.718 286 K HN 0.515 8.765 8.250 0.000 0.000 0.442 287 Y N 1.679 122.053 120.300 0.124 0.000 2.163 287 Y HA -0.203 4.343 4.550 -0.007 0.000 0.288 287 Y C 2.213 178.262 175.900 0.248 0.000 1.136 287 Y CA 1.534 59.747 58.100 0.188 0.000 1.147 287 Y CB -0.114 38.414 38.460 0.114 0.000 0.987 287 Y HN 0.127 8.407 8.280 0.000 0.000 0.509 288 Q N 0.216 120.031 119.800 0.026 0.000 2.135 288 Q HA -0.166 4.169 4.340 -0.007 0.000 0.204 288 Q C 2.520 178.477 176.000 -0.072 0.000 0.981 288 Q CA 1.521 57.286 55.803 -0.063 0.000 0.856 288 Q CB -0.815 27.952 28.738 0.049 0.000 0.902 288 Q HN 0.635 8.905 8.270 0.000 0.000 0.425 289 A N -0.315 122.513 122.820 0.013 0.000 1.897 289 A HA -0.157 4.159 4.320 -0.007 0.000 0.215 289 A C 1.867 179.465 177.584 0.024 0.000 1.181 289 A CA 1.141 53.192 52.037 0.024 0.000 0.620 289 A CB -0.991 18.046 19.000 0.061 0.000 0.821 289 A HN 0.547 8.697 8.150 0.000 0.000 0.443 290 W N 0.713 121.956 121.300 -0.095 0.000 2.358 290 W HA -0.216 4.440 4.660 -0.007 0.000 0.303 290 W C 2.296 178.761 176.519 -0.090 0.000 1.208 290 W CA 1.985 59.290 57.345 -0.068 0.000 1.274 290 W CB -0.331 29.095 29.460 -0.057 0.000 1.138 290 W HN 0.483 8.663 8.180 0.000 0.000 0.515 291 Q N 0.040 119.577 119.800 -0.438 0.000 2.084 291 Q HA -0.243 4.093 4.340 -0.007 0.000 0.202 291 Q C 2.422 178.181 176.000 -0.402 0.000 0.978 291 Q CA 2.380 57.788 55.803 -0.657 0.000 0.844 291 Q CB -0.648 27.772 28.738 -0.530 0.000 0.898 291 Q HN 0.261 8.531 8.270 0.000 0.000 0.426 292 S N -0.668 114.883 115.700 -0.248 0.000 2.368 292 S HA -0.113 4.353 4.470 -0.007 0.000 0.225 292 S C 1.866 176.373 174.600 -0.156 0.000 1.030 292 S CA 1.469 59.580 58.200 -0.148 0.000 0.999 292 S CB -0.712 62.437 63.200 -0.086 0.000 0.844 292 S HN 0.643 8.953 8.310 0.000 0.000 0.459 293 G N -0.175 108.507 108.800 -0.198 0.000 2.408 293 G HA2 -0.126 3.830 3.960 -0.007 0.000 0.217 293 G HA3 -0.126 3.830 3.960 -0.007 0.000 0.217 293 G C 1.267 176.036 174.900 -0.219 0.000 1.150 293 G CA 0.735 45.733 45.100 -0.170 0.000 0.776 293 G HN 0.583 8.873 8.290 0.000 0.000 0.542 294 F N 1.427 121.039 119.950 -0.564 0.000 2.146 294 F HA 0.093 4.616 4.527 -0.007 0.000 0.298 294 F C 2.678 178.327 175.800 -0.252 0.000 1.096 294 F CA 1.561 59.253 58.000 -0.513 0.000 1.275 294 F CB 0.035 38.427 39.000 -1.013 0.000 1.008 294 F HN 0.021 8.321 8.300 0.000 0.000 0.480 295 K N 0.313 120.680 120.400 -0.055 0.000 2.097 295 K HA -0.142 4.174 4.320 -0.007 0.000 0.206 295 K C 2.278 178.833 176.600 -0.075 0.000 1.049 295 K CA 1.148 57.419 56.287 -0.026 0.000 0.933 295 K CB -0.527 31.968 32.500 -0.009 0.000 0.717 295 K HN 0.355 8.605 8.250 0.000 0.000 0.442 296 A N 1.335 124.095 122.820 -0.099 0.000 1.908 296 A HA -0.213 4.103 4.320 -0.007 0.000 0.218 296 A C 2.081 179.603 177.584 -0.103 0.000 1.181 296 A CA 1.365 53.353 52.037 -0.083 0.000 0.627 296 A CB -0.310 18.645 19.000 -0.075 0.000 0.818 296 A HN 0.182 8.332 8.150 0.000 0.000 0.445 297 Q N -0.535 119.161 119.800 -0.174 0.000 2.079 297 Q HA -0.161 4.174 4.340 -0.007 0.000 0.200 297 Q C 1.985 177.868 176.000 -0.196 0.000 0.974 297 Q CA 1.579 57.260 55.803 -0.202 0.000 0.840 297 Q CB -0.507 28.063 28.738 -0.281 0.000 0.898 297 Q HN 0.905 9.175 8.270 0.000 0.000 0.430 298 E N 0.707 120.793 120.200 -0.191 0.000 2.058 298 E HA -0.214 4.132 4.350 -0.007 0.000 0.194 298 E C 1.526 178.166 176.600 0.068 0.000 0.997 298 E CA 1.003 57.417 56.400 0.024 0.000 0.801 298 E CB 0.245 30.017 29.700 0.120 0.000 0.746 298 E HN 0.193 8.553 8.360 0.000 0.000 0.450 299 E N 0.666 120.878 120.200 0.020 0.000 2.118 299 E HA -0.175 4.171 4.350 -0.007 0.000 0.195 299 E C 1.844 178.450 176.600 0.009 0.000 0.992 299 E CA 0.741 57.156 56.400 0.025 0.000 0.804 299 E CB -0.366 29.335 29.700 0.002 0.000 0.741 299 E HN 0.330 8.690 8.360 0.000 0.000 0.458 300 N N 0.500 119.187 118.700 -0.022 0.000 2.069 300 N HA -0.118 4.618 4.740 -0.007 0.000 0.191 300 N C 1.939 177.448 175.510 -0.002 0.000 1.031 300 N CA 1.077 54.114 53.050 -0.022 0.000 0.852 300 N CB -0.344 38.119 38.487 -0.041 0.000 1.018 300 N HN 0.218 8.598 8.380 0.000 0.000 0.423 301 M N 0.738 120.333 119.600 -0.007 0.000 2.117 301 M HA -0.136 4.340 4.480 -0.007 0.000 0.262 301 M C 2.144 178.535 176.300 0.151 0.000 1.065 301 M CA 1.371 56.713 55.300 0.069 0.000 1.114 301 M CB -0.139 32.400 32.600 -0.102 0.000 1.361 301 M HN 0.052 8.342 8.290 0.000 0.000 0.408 302 K N -0.504 119.989 120.400 0.156 0.000 2.057 302 K HA -0.137 4.178 4.320 -0.007 0.000 0.207 302 K C 1.753 178.318 176.600 -0.059 0.000 1.049 302 K CA 1.692 57.998 56.287 0.031 0.000 0.931 302 K CB 0.000 32.562 32.500 0.102 0.000 0.714 302 K HN 0.264 8.514 8.250 0.000 0.000 0.440 303 T N 0.098 114.636 114.554 -0.026 0.000 2.777 303 T HA -0.099 4.247 4.350 -0.007 0.000 0.266 303 T C 1.714 176.373 174.700 -0.068 0.000 1.040 303 T CA 1.736 63.811 62.100 -0.042 0.000 1.141 303 T CB -0.302 68.552 68.868 -0.024 0.000 0.868 303 T HN 0.324 8.564 8.240 0.000 0.000 0.444 304 T N 2.451 116.965 114.554 -0.067 0.000 2.684 304 T HA -0.070 4.276 4.350 -0.007 0.000 0.267 304 T C 1.869 176.416 174.700 -0.255 0.000 1.036 304 T CA 0.957 62.984 62.100 -0.122 0.000 1.148 304 T CB -0.454 68.368 68.868 -0.076 0.000 0.863 304 T HN 0.111 8.351 8.240 0.000 0.000 0.436 305 L N 1.254 122.315 121.223 -0.270 0.000 2.056 305 L HA -0.038 4.298 4.340 -0.007 0.000 0.207 305 L C 2.593 179.328 176.870 -0.225 0.000 1.078 305 L CA 1.840 56.469 54.840 -0.351 0.000 0.749 305 L CB -0.910 40.928 42.059 -0.368 0.000 0.901 305 L HN 0.281 8.511 8.230 0.000 0.000 0.433 306 Q N -1.258 118.441 119.800 -0.168 0.000 2.096 306 Q HA -0.222 4.114 4.340 -0.007 0.000 0.204 306 Q C 1.869 177.825 176.000 -0.074 0.000 0.982 306 Q CA 2.474 58.214 55.803 -0.106 0.000 0.850 306 Q CB -0.216 28.472 28.738 -0.082 0.000 0.901 306 Q HN 0.554 8.824 8.270 0.000 0.000 0.422 307 T N 1.847 116.356 114.554 -0.074 0.000 2.684 307 T HA -0.160 4.186 4.350 -0.007 0.000 0.267 307 T C 1.851 176.542 174.700 -0.014 0.000 1.036 307 T CA 1.581 63.657 62.100 -0.040 0.000 1.148 307 T CB -0.244 68.604 68.868 -0.033 0.000 0.863 307 T HN 0.268 8.508 8.240 0.000 0.000 0.436 308 L N 0.468 121.663 121.223 -0.047 0.000 2.056 308 L HA -0.100 4.236 4.340 -0.007 0.000 0.207 308 L C 2.918 179.839 176.870 0.085 0.000 1.078 308 L CA 1.222 56.081 54.840 0.032 0.000 0.749 308 L CB -0.993 41.004 42.059 -0.103 0.000 0.901 308 L HN 0.277 8.507 8.230 0.000 0.000 0.433 309 T N -1.134 113.432 114.554 0.020 0.000 2.857 309 T HA -0.176 4.170 4.350 -0.007 0.000 0.266 309 T C 1.916 176.668 174.700 0.087 0.000 1.048 309 T CA 1.063 63.207 62.100 0.074 0.000 1.139 309 T CB -0.084 68.789 68.868 0.009 0.000 0.874 309 T HN 0.354 8.594 8.240 0.000 0.000 0.455 310 Q N 0.655 120.461 119.800 0.011 0.000 2.079 310 Q HA -0.041 4.295 4.340 -0.007 0.000 0.200 310 Q C 2.375 178.318 176.000 -0.096 0.000 0.974 310 Q CA 1.140 56.925 55.803 -0.029 0.000 0.840 310 Q CB -0.087 28.630 28.738 -0.034 0.000 0.898 310 Q HN 0.440 8.710 8.270 0.000 0.000 0.430 311 K N -0.121 120.221 120.400 -0.097 0.000 2.097 311 K HA -0.197 4.118 4.320 -0.007 0.000 0.206 311 K C 1.993 178.175 176.600 -0.695 0.000 1.049 311 K CA 1.340 57.467 56.287 -0.266 0.000 0.933 311 K CB -0.233 32.239 32.500 -0.046 0.000 0.717 311 K HN 0.228 8.478 8.250 0.000 0.000 0.442 312 Y N 1.666 121.635 120.300 -0.553 0.000 2.097 312 Y HA -0.255 4.291 4.550 -0.006 0.000 0.282 312 Y C 2.202 177.915 175.900 -0.312 0.000 1.152 312 Y CA 1.755 59.557 58.100 -0.498 0.000 1.136 312 Y CB -0.516 37.883 38.460 -0.102 0.000 0.975 312 Y HN -0.094 8.186 8.280 0.000 0.000 0.498 313 S N 0.929 116.299 115.700 -0.550 0.000 2.383 313 S HA -0.215 4.251 4.470 -0.007 0.000 0.229 313 S C 1.675 176.007 174.600 -0.447 0.000 1.030 313 S CA 1.485 59.361 58.200 -0.540 0.000 1.002 313 S CB -0.430 62.682 63.200 -0.147 0.000 0.829 313 S HN 0.576 8.886 8.310 0.000 0.000 0.467 314 N N 1.492 119.980 118.700 -0.353 0.000 2.270 314 N HA 0.111 4.847 4.740 -0.007 0.000 0.181 314 N C 1.745 177.127 175.510 -0.214 0.000 1.016 314 N CA 1.051 53.963 53.050 -0.230 0.000 0.870 314 N CB -0.534 37.857 38.487 -0.159 0.000 0.979 314 N HN 0.410 8.790 8.380 0.000 0.000 0.431 315 A N 0.875 123.470 122.820 -0.374 0.000 1.930 315 A HA -0.123 4.193 4.320 -0.007 0.000 0.217 315 A C 2.153 179.652 177.584 -0.143 0.000 1.175 315 A CA 1.461 53.376 52.037 -0.203 0.000 0.627 315 A CB -0.615 18.030 19.000 -0.591 0.000 0.815 315 A HN 0.268 8.418 8.150 0.000 0.000 0.443 316 N N -0.181 118.279 118.700 -0.401 0.000 2.188 316 N HA -0.122 4.614 4.740 -0.007 0.000 0.184 316 N C 1.947 177.416 175.510 -0.070 0.000 1.018 316 N CA 1.689 54.574 53.050 -0.274 0.000 0.858 316 N CB -0.256 37.897 38.487 -0.557 0.000 0.989 316 N HN 0.348 8.728 8.380 0.000 0.000 0.426 317 S N -0.442 115.189 115.700 -0.116 0.000 2.383 317 S HA -0.031 4.435 4.470 -0.007 0.000 0.227 317 S C 1.909 176.515 174.600 0.010 0.000 1.026 317 S CA 0.770 58.946 58.200 -0.040 0.000 0.981 317 S CB -0.401 62.758 63.200 -0.068 0.000 0.818 317 S HN 0.445 8.755 8.310 0.000 0.000 0.472 318 L N -0.078 121.164 121.223 0.031 0.000 2.017 318 L HA -0.051 4.285 4.340 -0.007 0.000 0.208 318 L C 2.234 179.161 176.870 0.094 0.000 1.073 318 L CA 1.976 56.850 54.840 0.056 0.000 0.745 318 L CB -0.595 41.529 42.059 0.108 0.000 0.894 318 L HN 0.492 8.722 8.230 0.000 0.000 0.432 319 Y N 0.518 120.846 120.300 0.046 0.000 2.128 319 Y HA -0.352 4.194 4.550 -0.006 0.000 0.284 319 Y C 2.270 178.206 175.900 0.059 0.000 1.154 319 Y CA 2.205 60.349 58.100 0.073 0.000 1.149 319 Y CB -0.258 38.260 38.460 0.096 0.000 0.976 319 Y HN 0.417 8.697 8.280 0.000 0.000 0.505 320 D N -0.450 120.078 120.400 0.213 0.000 2.149 320 D HA -0.206 4.430 4.640 -0.007 0.000 0.198 320 D C 1.725 178.045 176.300 0.033 0.000 0.990 320 D CA 1.557 55.632 54.000 0.124 0.000 0.839 320 D CB -0.255 40.609 40.800 0.106 0.000 0.948 320 D HN 0.291 8.661 8.370 0.000 0.000 0.460 321 N N -0.344 118.355 118.700 -0.001 0.000 2.244 321 N HA -0.077 4.659 4.740 -0.007 0.000 0.183 321 N C 1.864 177.327 175.510 -0.079 0.000 1.016 321 N CA 0.491 53.518 53.050 -0.037 0.000 0.866 321 N CB -0.164 38.291 38.487 -0.055 0.000 0.980 321 N HN 0.336 8.716 8.380 0.000 0.000 0.430 322 L N 0.065 121.209 121.223 -0.133 0.000 2.072 322 L HA -0.070 4.266 4.340 -0.007 0.000 0.205 322 L C 2.186 179.070 176.870 0.023 0.000 1.079 322 L CA 0.576 55.313 54.840 -0.171 0.000 0.752 322 L CB -0.447 41.460 42.059 -0.252 0.000 0.906 322 L HN -0.059 8.171 8.230 0.000 0.000 0.436 323 V N 0.172 120.060 119.914 -0.044 0.000 2.332 323 V HA -0.319 3.797 4.120 -0.007 0.000 0.248 323 V C 2.496 178.633 176.094 0.072 0.000 1.055 323 V CA 1.816 64.133 62.300 0.027 0.000 1.038 323 V CB -0.581 31.272 31.823 0.051 0.000 0.651 323 V HN 0.426 8.616 8.190 0.000 0.000 0.450 324 K N -0.381 120.054 120.400 0.057 0.000 2.103 324 K HA -0.151 4.165 4.320 -0.007 0.000 0.207 324 K C 2.054 178.696 176.600 0.069 0.000 1.048 324 K CA 1.438 57.763 56.287 0.063 0.000 0.930 324 K CB -0.398 32.125 32.500 0.039 0.000 0.716 324 K HN 0.352 8.602 8.250 0.000 0.000 0.444 325 V N 1.929 121.884 119.914 0.068 0.000 2.295 325 V HA -0.243 3.873 4.120 -0.007 0.000 0.246 325 V C 2.212 178.411 176.094 0.176 0.000 1.049 325 V CA 1.572 63.933 62.300 0.101 0.000 1.024 325 V CB -0.444 31.419 31.823 0.068 0.000 0.648 325 V HN 0.273 8.463 8.190 0.000 0.000 0.447 326 L N -0.206 121.153 121.223 0.227 0.000 2.012 326 L HA -0.204 4.132 4.340 -0.007 0.000 0.210 326 L C 2.637 179.588 176.870 0.135 0.000 1.073 326 L CA 1.965 56.934 54.840 0.216 0.000 0.748 326 L CB -0.842 41.317 42.059 0.167 0.000 0.891 326 L HN 0.293 8.523 8.230 0.000 0.000 0.431 327 S N -0.229 115.517 115.700 0.078 0.000 2.368 327 S HA -0.160 4.305 4.470 -0.007 0.000 0.225 327 S C 2.195 176.835 174.600 0.067 0.000 1.030 327 S CA 1.533 59.750 58.200 0.029 0.000 0.999 327 S CB -0.243 62.989 63.200 0.054 0.000 0.844 327 S HN 0.627 8.937 8.310 0.000 0.000 0.459 328 S N 1.118 116.867 115.700 0.082 0.000 2.406 328 S HA -0.076 4.390 4.470 -0.007 0.000 0.228 328 S C 1.845 176.491 174.600 0.077 0.000 1.020 328 S CA 1.339 59.582 58.200 0.072 0.000 0.965 328 S CB -0.956 62.279 63.200 0.059 0.000 0.798 328 S HN 0.425 8.735 8.310 0.000 0.000 0.488 329 T N 2.947 117.563 114.554 0.103 0.000 2.708 329 T HA 0.112 4.458 4.350 -0.007 0.000 0.266 329 T C 1.723 176.509 174.700 0.143 0.000 1.037 329 T CA 1.519 63.693 62.100 0.123 0.000 1.146 329 T CB -0.496 68.471 68.868 0.164 0.000 0.865 329 T HN 0.381 8.621 8.240 0.000 0.000 0.435 330 I N 1.097 121.756 120.570 0.148 0.000 2.226 330 I HA -0.185 3.981 4.170 -0.007 0.000 0.245 330 I C 2.703 178.850 176.117 0.051 0.000 1.100 330 I CA 0.941 62.293 61.300 0.088 0.000 1.374 330 I CB -0.347 37.659 38.000 0.010 0.000 1.057 330 I HN 0.180 8.390 8.210 0.000 0.000 0.413 331 S N -0.039 115.691 115.700 0.050 0.000 2.359 331 S HA -0.233 4.232 4.470 -0.007 0.000 0.224 331 S C 2.184 176.808 174.600 0.040 0.000 1.035 331 S CA 1.829 60.057 58.200 0.047 0.000 1.018 331 S CB -0.389 62.846 63.200 0.059 0.000 0.876 331 S HN 0.458 8.768 8.310 0.000 0.000 0.448 332 S N 1.163 116.889 115.700 0.044 0.000 2.359 332 S HA -0.130 4.336 4.470 -0.007 0.000 0.224 332 S C 2.103 176.718 174.600 0.025 0.000 1.035 332 S CA 1.711 59.930 58.200 0.032 0.000 1.018 332 S CB -0.508 62.712 63.200 0.033 0.000 0.876 332 S HN 0.479 8.789 8.310 0.000 0.000 0.448 333 S N 1.193 116.918 115.700 0.043 0.000 2.382 333 S HA -0.042 4.423 4.470 -0.007 0.000 0.228 333 S C 1.679 176.285 174.600 0.010 0.000 1.027 333 S CA 1.045 59.266 58.200 0.036 0.000 0.991 333 S CB -0.480 62.766 63.200 0.077 0.000 0.823 333 S HN 0.350 8.660 8.310 0.000 0.000 0.469 334 L N 2.046 123.277 121.223 0.014 0.000 2.017 334 L HA -0.070 4.266 4.340 -0.007 0.000 0.208 334 L C 2.186 179.051 176.870 -0.008 0.000 1.073 334 L CA 1.710 56.552 54.840 0.003 0.000 0.745 334 L CB -1.143 40.925 42.059 0.014 0.000 0.894 334 L HN 0.328 8.558 8.230 0.000 0.000 0.432 335 E N -1.459 118.740 120.200 -0.002 0.000 2.058 335 E HA -0.236 4.110 4.350 -0.007 0.000 0.194 335 E C 1.949 178.522 176.600 -0.045 0.000 0.997 335 E CA 1.891 58.285 56.400 -0.011 0.000 0.801 335 E CB -0.240 29.460 29.700 -0.000 0.000 0.746 335 E HN 0.471 8.831 8.360 0.000 0.000 0.450 336 T N 0.835 115.360 114.554 -0.049 0.000 2.699 336 T HA -0.201 4.145 4.350 -0.007 0.000 0.268 336 T C 1.934 176.544 174.700 -0.150 0.000 1.036 336 T CA 1.381 63.429 62.100 -0.086 0.000 1.147 336 T CB -0.245 68.588 68.868 -0.059 0.000 0.862 336 T HN 0.279 8.519 8.240 0.000 0.000 0.446 337 A N 0.976 123.725 122.820 -0.119 0.000 2.067 337 A HA -0.030 4.286 4.320 -0.007 0.000 0.219 337 A C 2.113 179.570 177.584 -0.211 0.000 1.158 337 A CA 1.223 53.171 52.037 -0.149 0.000 0.661 337 A CB -0.241 18.716 19.000 -0.072 0.000 0.801 337 A HN 0.450 8.600 8.150 0.000 0.000 0.452 338 K N 0.177 120.482 120.400 -0.158 0.000 2.353 338 K HA 0.075 4.390 4.320 -0.007 0.000 0.195 338 K C 0.279 176.790 176.600 -0.148 0.000 1.031 338 K CA 0.474 56.708 56.287 -0.088 0.000 1.079 338 K CB 0.357 32.866 32.500 0.015 0.000 0.857 338 K HN 0.521 8.771 8.250 0.000 0.000 0.535 339 S N 0.336 115.860 115.700 -0.292 0.000 2.508 339 S HA 0.483 4.949 4.470 -0.007 0.000 0.284 339 S C -0.491 173.847 174.600 -0.436 0.000 1.192 339 S CA -0.765 57.322 58.200 -0.189 0.000 1.070 339 S CB 0.410 63.557 63.200 -0.089 0.000 1.004 339 S HN 0.008 8.318 8.310 0.000 0.000 0.493 340 F N 2.366 122.315 119.950 -0.001 0.000 2.496 340 F HA 0.425 4.949 4.527 -0.005 0.000 0.341 340 F C -0.308 175.492 175.800 -0.001 0.000 1.134 340 F CA -1.043 56.955 58.000 -0.003 0.000 0.968 340 F CB 1.543 40.542 39.000 -0.002 0.000 1.205 340 F HN 0.509 8.809 8.300 0.000 0.000 0.436 341 L N 5.203 126.492 121.223 0.110 0.000 2.361 341 L HA 0.289 4.625 4.340 -0.007 0.000 0.278 341 L C 0.294 177.211 176.870 0.079 0.000 1.113 341 L CA 0.008 54.889 54.840 0.068 0.000 0.849 341 L CB 0.468 42.544 42.059 0.028 0.000 1.155 341 L HN 0.768 8.998 8.230 0.000 0.000 0.452 342 Q N 0.000 119.838 119.800 0.063 0.000 2.315 342 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 342 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 342 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 342 Q HN 0.000 8.270 8.270 0.000 0.000 0.481