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 2px0_1_E DATA FIRST_RESID 109 DATA SEQUENCE PEPLRKAEKL LQETGIKEST KTNTLKKLLR FSVEAGGLTE ENVVGKLQEI DATA SEQUENCE LCDMLPSADK WQEPIHSKYI VLFGSTGAGK TTTLAKLAAI SMLEKHKKIA DATA SEQUENCE FITTDTYRIA AVEQLKTYAE LLQAPLEVCY TKEEFQQAKE LFSEYDHVFV DATA SEQUENCE DTAGRNFKDP QYIDELKETI PFESSIQSFL VLSATAKYED MKHIVKRFSS DATA SEQUENCE VPVNQYIFTK IDETTSLGSV FNILAESKIG VGFMTNGQNV PEDIQTVSPL DATA SEQUENCE GFVRMLCR 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 109 P HA 0.000 4.420 4.420 0.000 0.000 0.216 109 P C 0.000 177.292 177.300 -0.013 0.000 1.155 109 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 109 P CB 0.000 31.692 31.700 -0.013 0.000 0.726 110 E N 0.382 120.573 120.200 -0.014 0.000 2.907 110 E HA 0.145 4.493 4.350 -0.002 0.000 0.197 110 E C -1.583 175.008 176.600 -0.015 0.000 1.150 110 E CA 0.312 56.704 56.400 -0.014 0.000 1.134 110 E CB -1.405 28.287 29.700 -0.013 0.000 2.214 110 E HN 0.371 8.731 8.360 0.000 0.000 0.541 111 P HA 0.064 4.484 4.420 0.000 0.000 0.247 111 P C 0.950 178.239 177.300 -0.018 0.000 1.225 111 P CA 0.602 63.693 63.100 -0.017 0.000 0.768 111 P CB 0.223 31.913 31.700 -0.016 0.000 1.020 112 L N -0.186 121.026 121.223 -0.018 0.000 2.209 112 L HA 0.109 4.447 4.340 -0.002 0.000 0.207 112 L C 2.821 179.678 176.870 -0.022 0.000 1.094 112 L CA 1.296 56.124 54.840 -0.020 0.000 0.790 112 L CB -0.912 41.137 42.059 -0.017 0.000 0.932 112 L HN -0.150 8.080 8.230 0.000 0.000 0.447 113 R N -0.184 120.304 120.500 -0.020 0.000 2.117 113 R HA -0.234 4.105 4.340 -0.002 0.000 0.243 113 R C 2.210 178.495 176.300 -0.025 0.000 1.143 113 R CA 1.563 57.651 56.100 -0.021 0.000 0.968 113 R CB -0.345 29.944 30.300 -0.018 0.000 0.863 113 R HN 0.293 8.563 8.270 0.000 0.000 0.444 114 K N 0.568 120.954 120.400 -0.024 0.000 2.057 114 K HA -0.127 4.192 4.320 -0.002 0.000 0.207 114 K C 1.904 178.484 176.600 -0.033 0.000 1.049 114 K CA 1.566 57.837 56.287 -0.027 0.000 0.931 114 K CB -0.054 32.432 32.500 -0.024 0.000 0.714 114 K HN 0.185 8.435 8.250 0.000 0.000 0.440 115 A N 0.611 123.411 122.820 -0.034 0.000 2.072 115 A HA -0.083 4.236 4.320 -0.002 0.000 0.216 115 A C 1.811 179.366 177.584 -0.049 0.000 1.156 115 A CA 1.066 53.078 52.037 -0.043 0.000 0.701 115 A CB -0.258 18.719 19.000 -0.039 0.000 0.816 115 A HN 0.551 8.701 8.150 0.000 0.000 0.458 116 E N 0.196 120.370 120.200 -0.042 0.000 2.208 116 E HA -0.113 4.236 4.350 -0.002 0.000 0.193 116 E C 1.741 178.312 176.600 -0.048 0.000 0.988 116 E CA 0.974 57.347 56.400 -0.045 0.000 0.828 116 E CB -0.027 29.652 29.700 -0.035 0.000 0.763 116 E HN 0.581 8.941 8.360 0.000 0.000 0.478 117 K N 0.174 120.547 120.400 -0.044 0.000 2.116 117 K HA -0.053 4.265 4.320 -0.002 0.000 0.203 117 K C 2.083 178.650 176.600 -0.055 0.000 1.052 117 K CA 0.316 56.577 56.287 -0.044 0.000 0.952 117 K CB 0.019 32.497 32.500 -0.036 0.000 0.729 117 K HN 0.158 8.408 8.250 0.000 0.000 0.446 118 L N 1.436 122.623 121.223 -0.061 0.000 1.956 118 L HA -0.202 4.137 4.340 -0.002 0.000 0.216 118 L C 2.270 179.082 176.870 -0.097 0.000 1.073 118 L CA 1.777 56.572 54.840 -0.075 0.000 0.762 118 L CB -1.046 40.967 42.059 -0.077 0.000 0.889 118 L HN 0.254 8.484 8.230 0.000 0.000 0.433 119 L N -0.953 120.206 121.223 -0.107 0.000 2.263 119 L HA -0.272 4.067 4.340 -0.002 0.000 0.216 119 L C 2.552 179.349 176.870 -0.122 0.000 1.111 119 L CA 1.035 55.793 54.840 -0.137 0.000 0.773 119 L CB -0.424 41.557 42.059 -0.130 0.000 0.906 119 L HN 0.473 8.703 8.230 0.000 0.000 0.439 120 Q N -0.446 119.300 119.800 -0.089 0.000 2.163 120 Q HA -0.125 4.214 4.340 -0.002 0.000 0.198 120 Q C 2.027 177.986 176.000 -0.069 0.000 0.954 120 Q CA 0.746 56.505 55.803 -0.073 0.000 0.851 120 Q CB 0.119 28.825 28.738 -0.054 0.000 0.928 120 Q HN 0.497 8.767 8.270 0.000 0.000 0.459 121 E N 0.605 120.765 120.200 -0.067 0.000 2.204 121 E HA -0.109 4.239 4.350 -0.002 0.000 0.195 121 E C 0.897 177.456 176.600 -0.069 0.000 0.990 121 E CA 1.129 57.494 56.400 -0.059 0.000 0.821 121 E CB 0.040 29.707 29.700 -0.055 0.000 0.750 121 E HN 0.357 8.717 8.360 0.000 0.000 0.477 122 T N -2.967 111.529 114.554 -0.097 0.000 2.788 122 T HA 0.290 4.639 4.350 -0.002 0.000 0.280 122 T C 1.303 175.939 174.700 -0.106 0.000 0.984 122 T CA -0.401 61.630 62.100 -0.115 0.000 0.972 122 T CB 1.506 70.267 68.868 -0.179 0.000 1.039 122 T HN 0.007 8.247 8.240 0.000 0.000 0.530 123 G N 0.796 109.535 108.800 -0.100 0.000 2.616 123 G HA2 0.148 4.107 3.960 -0.002 0.000 0.215 123 G HA3 0.148 4.107 3.960 -0.002 0.000 0.215 123 G C 0.480 175.307 174.900 -0.123 0.000 1.284 123 G CA 0.359 45.410 45.100 -0.081 0.000 0.823 123 G HN 0.932 9.222 8.290 0.000 0.000 0.569 124 I N 1.460 121.925 120.570 -0.176 0.000 3.494 124 I HA -0.201 3.968 4.170 -0.002 0.000 0.126 124 I C 1.094 177.107 176.117 -0.172 0.000 0.972 124 I CA 0.463 61.623 61.300 -0.233 0.000 2.750 124 I CB -1.626 36.178 38.000 -0.327 0.000 1.121 124 I HN 0.707 8.917 8.210 0.000 0.000 0.344 125 K N 5.102 125.391 120.400 -0.185 0.000 2.170 125 K HA 0.052 4.371 4.320 -0.002 0.000 0.241 125 K C 0.940 177.490 176.600 -0.084 0.000 1.071 125 K CA -0.151 56.065 56.287 -0.119 0.000 0.822 125 K CB 0.766 33.188 32.500 -0.128 0.000 1.097 125 K HN 0.441 8.691 8.250 0.000 0.000 0.522 126 E N 0.610 120.784 120.200 -0.043 0.000 2.008 126 E HA -0.158 4.191 4.350 -0.002 0.000 0.191 126 E C 2.155 178.737 176.600 -0.030 0.000 0.986 126 E CA 1.650 58.030 56.400 -0.034 0.000 0.807 126 E CB -0.677 29.015 29.700 -0.013 0.000 0.766 126 E HN 0.682 9.042 8.360 0.000 0.000 0.450 127 S N -0.939 114.754 115.700 -0.012 0.000 2.426 127 S HA -0.316 4.153 4.470 -0.002 0.000 0.253 127 S C 1.922 176.514 174.600 -0.014 0.000 1.104 127 S CA 2.613 60.812 58.200 -0.002 0.000 1.158 127 S CB -0.889 62.322 63.200 0.017 0.000 1.043 127 S HN 0.467 8.777 8.310 0.000 0.000 0.443 128 T N 1.660 116.194 114.554 -0.032 0.000 2.643 128 T HA -0.038 4.310 4.350 -0.002 0.000 0.256 128 T C 1.819 176.474 174.700 -0.075 0.000 1.061 128 T CA 1.425 63.497 62.100 -0.046 0.000 1.163 128 T CB -0.572 68.254 68.868 -0.070 0.000 0.865 128 T HN 0.582 8.822 8.240 0.000 0.000 0.407 129 K N 0.169 120.504 120.400 -0.108 0.000 2.108 129 K HA -0.305 4.014 4.320 -0.002 0.000 0.219 129 K C 2.388 178.944 176.600 -0.073 0.000 1.054 129 K CA 2.293 58.514 56.287 -0.109 0.000 0.945 129 K CB -0.554 31.888 32.500 -0.097 0.000 0.728 129 K HN 0.248 8.498 8.250 0.000 0.000 0.462 130 T N 0.311 114.835 114.554 -0.050 0.000 2.770 130 T HA -0.065 4.284 4.350 -0.002 0.000 0.263 130 T C 1.672 176.356 174.700 -0.026 0.000 1.039 130 T CA 1.124 63.204 62.100 -0.033 0.000 1.142 130 T CB -0.238 68.617 68.868 -0.022 0.000 0.868 130 T HN 0.306 8.546 8.240 0.000 0.000 0.435 131 N N 0.366 119.052 118.700 -0.022 0.000 2.272 131 N HA -0.084 4.655 4.740 -0.002 0.000 0.185 131 N C 1.810 177.311 175.510 -0.015 0.000 1.014 131 N CA 1.365 54.408 53.050 -0.011 0.000 0.870 131 N CB -0.243 38.243 38.487 -0.002 0.000 0.975 131 N HN 0.402 8.782 8.380 0.000 0.000 0.433 132 T N 1.490 116.024 114.554 -0.033 0.000 2.701 132 T HA -0.014 4.334 4.350 -0.002 0.000 0.263 132 T C 2.147 176.831 174.700 -0.026 0.000 1.040 132 T CA 0.657 62.735 62.100 -0.037 0.000 1.147 132 T CB -0.247 68.575 68.868 -0.076 0.000 0.865 132 T HN 0.156 8.396 8.240 0.000 0.000 0.426 133 L N 1.051 122.256 121.223 -0.031 0.000 2.081 133 L HA -0.172 4.167 4.340 -0.002 0.000 0.212 133 L C 2.694 179.561 176.870 -0.004 0.000 1.080 133 L CA 1.421 56.249 54.840 -0.020 0.000 0.754 133 L CB -0.584 41.461 42.059 -0.025 0.000 0.893 133 L HN 0.243 8.473 8.230 0.000 0.000 0.433 134 K N 0.783 121.181 120.400 -0.003 0.000 1.987 134 K HA -0.248 4.070 4.320 -0.002 0.000 0.216 134 K C 2.192 178.804 176.600 0.021 0.000 1.051 134 K CA 1.744 58.036 56.287 0.008 0.000 0.942 134 K CB -0.078 32.426 32.500 0.007 0.000 0.722 134 K HN 0.182 8.432 8.250 0.000 0.000 0.444 135 K N 0.502 120.914 120.400 0.019 0.000 2.074 135 K HA -0.205 4.114 4.320 -0.002 0.000 0.209 135 K C 2.235 178.871 176.600 0.061 0.000 1.048 135 K CA 1.501 57.808 56.287 0.033 0.000 0.926 135 K CB -0.327 32.179 32.500 0.009 0.000 0.713 135 K HN 0.148 8.398 8.250 0.000 0.000 0.444 136 L N 1.395 122.642 121.223 0.039 0.000 1.955 136 L HA -0.192 4.146 4.340 -0.002 0.000 0.213 136 L C 2.211 179.117 176.870 0.060 0.000 1.072 136 L CA 1.474 56.343 54.840 0.049 0.000 0.755 136 L CB -0.803 41.266 42.059 0.016 0.000 0.888 136 L HN 0.099 8.329 8.230 0.000 0.000 0.432 137 L N -0.158 121.085 121.223 0.034 0.000 2.043 137 L HA -0.235 4.104 4.340 -0.002 0.000 0.212 137 L C 2.780 179.670 176.870 0.033 0.000 1.075 137 L CA 2.224 57.078 54.840 0.023 0.000 0.752 137 L CB -0.702 41.363 42.059 0.010 0.000 0.891 137 L HN 0.453 8.683 8.230 0.000 0.000 0.432 138 R N -0.874 119.660 120.500 0.057 0.000 2.096 138 R HA -0.238 4.100 4.340 -0.002 0.000 0.229 138 R C 0.760 177.121 176.300 0.101 0.000 1.134 138 R CA 1.691 57.835 56.100 0.074 0.000 0.917 138 R CB -0.762 29.595 30.300 0.095 0.000 0.832 138 R HN 0.251 8.521 8.270 0.000 0.000 0.430 139 F N 1.162 121.106 119.950 -0.009 0.000 2.678 139 F HA 0.102 4.628 4.527 -0.002 0.000 0.358 139 F C 0.649 176.442 175.800 -0.012 0.000 1.256 139 F CA 0.697 58.691 58.000 -0.010 0.000 1.278 139 F CB 0.491 39.485 39.000 -0.009 0.000 1.681 139 F HN 0.249 8.549 8.300 0.000 0.000 0.661 140 S N 1.063 116.711 115.700 -0.087 0.000 3.327 140 S HA -0.076 4.393 4.470 -0.002 0.000 0.175 140 S C 0.954 175.500 174.600 -0.091 0.000 0.888 140 S CA 0.556 58.713 58.200 -0.072 0.000 1.332 140 S CB -0.850 62.349 63.200 -0.002 0.000 1.191 140 S HN 0.174 8.484 8.310 0.000 0.000 0.367 141 V N 3.224 123.097 119.914 -0.068 0.000 3.217 141 V HA 0.159 4.278 4.120 -0.002 0.000 0.264 141 V C 1.732 177.772 176.094 -0.089 0.000 1.135 141 V CA 2.468 64.732 62.300 -0.060 0.000 1.142 141 V CB -0.217 31.585 31.823 -0.035 0.000 0.754 141 V HN 0.730 8.920 8.190 0.000 0.000 0.484 142 E N -0.545 119.568 120.200 -0.145 0.000 2.306 142 E HA 0.291 4.640 4.350 -0.002 0.000 0.201 142 E C 1.720 178.156 176.600 -0.274 0.000 0.874 142 E CA 0.662 56.952 56.400 -0.182 0.000 0.972 142 E CB -0.067 29.526 29.700 -0.177 0.000 0.957 142 E HN 0.451 8.811 8.360 0.000 0.000 0.492 143 A N 2.229 124.789 122.820 -0.434 0.000 3.447 143 A HA 0.398 4.716 4.320 -0.002 0.000 0.142 143 A C 1.386 178.833 177.584 -0.229 0.000 1.271 143 A CA 0.734 52.487 52.037 -0.472 0.000 1.067 143 A CB -1.219 17.372 19.000 -0.681 0.000 1.324 143 A HN 0.305 8.455 8.150 0.000 0.000 0.654 144 G N -1.939 106.762 108.800 -0.163 0.000 2.928 144 G HA2 0.469 4.428 3.960 -0.002 0.000 0.163 144 G HA3 0.469 4.428 3.960 -0.002 0.000 0.163 144 G C 0.218 175.076 174.900 -0.070 0.000 1.573 144 G CA 0.065 45.110 45.100 -0.092 0.000 1.084 144 G HN 1.369 9.659 8.290 0.000 0.000 0.569 145 G N -0.850 107.922 108.800 -0.046 0.000 2.590 145 G HA2 0.547 4.506 3.960 -0.002 0.000 0.310 145 G HA3 0.547 4.506 3.960 -0.002 0.000 0.310 145 G C -0.758 174.127 174.900 -0.025 0.000 1.347 145 G CA -0.615 44.463 45.100 -0.035 0.000 0.963 145 G HN 0.458 8.748 8.290 0.000 0.000 0.494 146 L N 1.589 122.799 121.223 -0.022 0.000 2.350 146 L HA 0.469 4.808 4.340 -0.002 0.000 0.275 146 L C 0.715 177.576 176.870 -0.015 0.000 1.099 146 L CA -0.425 54.406 54.840 -0.015 0.000 0.808 146 L CB 1.458 43.510 42.059 -0.013 0.000 1.149 146 L HN 0.410 8.640 8.230 0.000 0.000 0.442 147 T N -0.111 114.436 114.554 -0.013 0.000 2.922 147 T HA 0.192 4.541 4.350 -0.002 0.000 0.281 147 T C 0.775 175.467 174.700 -0.014 0.000 1.005 147 T CA -0.579 61.514 62.100 -0.013 0.000 0.982 147 T CB 1.575 70.436 68.868 -0.012 0.000 1.158 147 T HN 0.656 8.896 8.240 0.000 0.000 0.566 148 E N 0.201 120.393 120.200 -0.014 0.000 2.358 148 E HA -0.007 4.341 4.350 -0.002 0.000 0.195 148 E C 1.587 178.178 176.600 -0.015 0.000 1.010 148 E CA 0.746 57.137 56.400 -0.014 0.000 0.856 148 E CB 0.163 29.855 29.700 -0.014 0.000 0.795 148 E HN 0.740 9.100 8.360 0.000 0.000 0.504 149 E N 1.372 121.564 120.200 -0.014 0.000 2.048 149 E HA -0.113 4.236 4.350 -0.002 0.000 0.193 149 E C 1.224 177.815 176.600 -0.015 0.000 0.956 149 E CA 0.788 57.180 56.400 -0.014 0.000 0.846 149 E CB -0.135 29.557 29.700 -0.012 0.000 0.827 149 E HN 0.324 8.684 8.360 0.000 0.000 0.466 150 N N 1.233 119.925 118.700 -0.012 0.000 2.651 150 N HA -0.144 4.595 4.740 -0.002 0.000 0.193 150 N C 1.669 177.172 175.510 -0.012 0.000 1.149 150 N CA 1.185 54.228 53.050 -0.011 0.000 0.933 150 N CB -0.537 37.945 38.487 -0.007 0.000 0.974 150 N HN 0.207 8.587 8.380 0.000 0.000 0.448 151 V N -2.396 117.509 119.914 -0.015 0.000 2.261 151 V HA -0.237 3.882 4.120 -0.002 0.000 0.246 151 V C 2.083 178.164 176.094 -0.023 0.000 1.047 151 V CA 1.604 63.894 62.300 -0.017 0.000 1.015 151 V CB -1.106 30.705 31.823 -0.021 0.000 0.642 151 V HN 0.207 8.397 8.190 0.000 0.000 0.446 152 V N 2.014 121.911 119.914 -0.028 0.000 2.255 152 V HA -0.144 3.975 4.120 -0.002 0.000 0.247 152 V C 3.003 179.076 176.094 -0.036 0.000 1.051 152 V CA 2.523 64.801 62.300 -0.037 0.000 1.018 152 V CB -1.853 29.947 31.823 -0.039 0.000 0.641 152 V HN 0.637 8.827 8.190 0.000 0.000 0.445 153 G N -0.448 108.336 108.800 -0.027 0.000 2.469 153 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.219 153 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.219 153 G C 1.684 176.572 174.900 -0.020 0.000 1.150 153 G CA 0.995 46.080 45.100 -0.025 0.000 0.763 153 G HN 0.337 8.627 8.290 0.000 0.000 0.561 154 K N -0.044 120.350 120.400 -0.011 0.000 2.097 154 K HA 0.037 4.355 4.320 -0.002 0.000 0.205 154 K C 2.456 179.050 176.600 -0.010 0.000 1.050 154 K CA 0.681 56.969 56.287 0.001 0.000 0.938 154 K CB -0.513 31.996 32.500 0.016 0.000 0.718 154 K HN 0.336 8.586 8.250 0.000 0.000 0.442 155 L N 1.839 123.048 121.223 -0.024 0.000 2.005 155 L HA -0.182 4.157 4.340 -0.002 0.000 0.207 155 L C 2.240 179.079 176.870 -0.052 0.000 1.072 155 L CA 1.742 56.558 54.840 -0.040 0.000 0.744 155 L CB -0.639 41.388 42.059 -0.053 0.000 0.895 155 L HN 0.201 8.431 8.230 0.000 0.000 0.433 156 Q N -0.620 119.147 119.800 -0.055 0.000 2.077 156 Q HA -0.299 4.040 4.340 -0.002 0.000 0.206 156 Q C 2.125 178.100 176.000 -0.043 0.000 0.989 156 Q CA 2.028 57.795 55.803 -0.060 0.000 0.853 156 Q CB -0.390 28.312 28.738 -0.061 0.000 0.907 156 Q HN 0.676 8.946 8.270 0.000 0.000 0.418 157 E N 1.042 121.221 120.200 -0.036 0.000 2.021 157 E HA -0.236 4.113 4.350 -0.002 0.000 0.200 157 E C 2.016 178.599 176.600 -0.029 0.000 1.015 157 E CA 1.432 57.812 56.400 -0.034 0.000 0.824 157 E CB -0.168 29.515 29.700 -0.027 0.000 0.762 157 E HN 0.326 8.686 8.360 0.000 0.000 0.454 158 I N 0.888 121.443 120.570 -0.024 0.000 2.145 158 I HA -0.358 3.810 4.170 -0.002 0.000 0.244 158 I C 2.565 178.688 176.117 0.011 0.000 1.075 158 I CA 1.168 62.456 61.300 -0.020 0.000 1.332 158 I CB -0.447 37.542 38.000 -0.018 0.000 1.033 158 I HN 0.257 8.467 8.210 0.000 0.000 0.410 159 L N -0.071 121.163 121.223 0.019 0.000 1.989 159 L HA -0.295 4.044 4.340 -0.002 0.000 0.211 159 L C 2.871 179.864 176.870 0.205 0.000 1.071 159 L CA 1.464 56.373 54.840 0.114 0.000 0.749 159 L CB -0.838 41.235 42.059 0.024 0.000 0.890 159 L HN 0.445 8.675 8.230 0.000 0.000 0.431 160 C N 0.783 120.135 119.300 0.086 0.000 2.398 160 C HA -0.232 4.227 4.460 -0.002 0.000 0.282 160 C C 1.970 176.942 174.990 -0.030 0.000 1.275 160 C CA 1.624 60.646 59.018 0.006 0.000 1.797 160 C CB -1.183 26.519 27.740 -0.062 0.000 1.991 160 C HN 0.543 8.773 8.230 0.000 0.000 0.505 161 D N -0.508 119.887 120.400 -0.009 0.000 2.349 161 D HA 0.041 4.680 4.640 -0.002 0.000 0.224 161 D C 1.829 178.129 176.300 -0.001 0.000 1.029 161 D CA 0.534 54.518 54.000 -0.026 0.000 0.879 161 D CB -0.072 40.704 40.800 -0.040 0.000 0.906 161 D HN 0.550 8.920 8.370 0.000 0.000 0.528 162 M N -0.013 119.612 119.600 0.042 0.000 2.509 162 M HA 0.079 4.558 4.480 -0.002 0.000 0.250 162 M C 0.061 176.343 176.300 -0.031 0.000 1.132 162 M CA 0.235 55.566 55.300 0.051 0.000 1.080 162 M CB 0.505 33.220 32.600 0.192 0.000 1.408 162 M HN -0.017 8.273 8.290 0.000 0.000 0.484 163 L N 0.644 121.826 121.223 -0.068 0.000 2.642 163 L HA 0.455 4.794 4.340 -0.002 0.000 0.229 163 L C -1.889 175.014 176.870 0.055 0.000 1.179 163 L CA -1.689 53.131 54.840 -0.034 0.000 0.834 163 L CB -1.132 40.931 42.059 0.008 0.000 1.515 163 L HN -0.041 8.189 8.230 0.000 0.000 0.512 164 P HA 0.162 4.582 4.420 0.000 0.000 0.284 164 P C -0.841 176.536 177.300 0.128 0.000 1.258 164 P CA -0.461 62.748 63.100 0.183 0.000 0.824 164 P CB 0.943 32.800 31.700 0.261 0.000 1.038 165 S N 0.910 116.649 115.700 0.065 0.000 3.074 165 S HA -0.024 4.445 4.470 -0.002 0.000 0.359 165 S C 1.543 176.146 174.600 0.005 0.000 1.207 165 S CA 0.034 58.240 58.200 0.010 0.000 1.061 165 S CB -0.460 62.753 63.200 0.022 0.000 0.769 165 S HN 0.615 8.925 8.310 0.000 0.000 0.512 166 A N 2.797 125.535 122.820 -0.137 0.000 2.266 166 A HA -0.215 4.104 4.320 -0.002 0.000 0.219 166 A C 1.985 179.564 177.584 -0.008 0.000 1.178 166 A CA 1.636 53.541 52.037 -0.220 0.000 0.678 166 A CB -0.733 18.117 19.000 -0.250 0.000 0.789 166 A HN 1.025 9.175 8.150 0.000 0.000 0.486 167 D N -1.212 119.213 120.400 0.042 0.000 2.289 167 D HA -0.090 4.549 4.640 -0.002 0.000 0.207 167 D C 1.479 177.847 176.300 0.114 0.000 0.966 167 D CA 1.002 55.039 54.000 0.062 0.000 0.868 167 D CB -0.158 40.664 40.800 0.037 0.000 0.943 167 D HN 0.269 8.639 8.370 0.000 0.000 0.514 168 K N -0.470 120.047 120.400 0.194 0.000 2.525 168 K HA 0.076 4.395 4.320 -0.002 0.000 0.192 168 K C -0.525 176.219 176.600 0.240 0.000 1.029 168 K CA 0.046 56.450 56.287 0.194 0.000 1.029 168 K CB 0.004 32.630 32.500 0.210 0.000 0.814 168 K HN 0.086 8.336 8.250 0.000 0.000 0.503 169 W N 0.793 122.063 121.300 -0.050 0.000 2.570 169 W HA 0.371 5.030 4.660 -0.001 0.000 0.337 169 W C -0.216 176.251 176.519 -0.087 0.000 1.067 169 W CA -0.736 56.571 57.345 -0.063 0.000 1.229 169 W CB 0.947 30.381 29.460 -0.042 0.000 1.355 169 W HN 0.003 8.183 8.180 0.000 0.000 0.555 170 Q N 0.211 120.047 119.800 0.060 0.000 2.461 170 Q HA -0.246 4.093 4.340 -0.002 0.000 0.298 170 Q C -0.252 175.701 176.000 -0.077 0.000 1.399 170 Q CA 0.593 56.361 55.803 -0.059 0.000 0.778 170 Q CB -0.887 27.855 28.738 0.006 0.000 1.130 170 Q HN 0.634 8.904 8.270 0.000 0.000 0.407 171 E N 2.092 122.231 120.200 -0.101 0.000 2.223 171 E HA 0.241 4.590 4.350 -0.002 0.000 0.282 171 E C -1.849 174.727 176.600 -0.040 0.000 1.046 171 E CA -1.747 54.615 56.400 -0.062 0.000 0.857 171 E CB 0.874 30.530 29.700 -0.073 0.000 1.055 171 E HN 0.116 8.476 8.360 0.000 0.000 0.409 172 P HA 0.138 4.558 4.420 0.000 0.000 0.276 172 P C -0.194 177.171 177.300 0.108 0.000 1.252 172 P CA -0.265 62.846 63.100 0.018 0.000 0.802 172 P CB 0.857 32.505 31.700 -0.086 0.000 1.035 173 I N 1.930 122.611 120.570 0.184 0.000 2.483 173 I HA 0.012 4.181 4.170 -0.002 0.000 0.291 173 I C 1.621 177.785 176.117 0.078 0.000 1.112 173 I CA 0.404 61.770 61.300 0.110 0.000 1.350 173 I CB -0.463 37.524 38.000 -0.022 0.000 1.419 173 I HN 0.512 8.722 8.210 0.000 0.000 0.523 174 H N 2.827 121.914 119.070 0.029 0.000 2.311 174 H HA 0.093 4.648 4.556 -0.002 0.000 0.289 174 H C 1.526 176.885 175.328 0.052 0.000 1.022 174 H CA -0.064 56.023 56.048 0.066 0.000 1.416 174 H CB 0.842 30.643 29.762 0.064 0.000 1.480 174 H HN 0.570 8.850 8.280 0.000 0.000 0.609 175 S N 0.556 116.341 115.700 0.141 0.000 2.564 175 S HA -0.090 4.379 4.470 -0.002 0.000 0.263 175 S C 1.234 175.814 174.600 -0.033 0.000 1.378 175 S CA 0.070 58.292 58.200 0.037 0.000 0.996 175 S CB 0.708 63.946 63.200 0.064 0.000 0.881 175 S HN 0.333 8.643 8.310 0.000 0.000 0.555 176 K N 0.753 121.075 120.400 -0.129 0.000 1.967 176 K HA -0.054 4.265 4.320 -0.002 0.000 0.212 176 K C 0.033 176.356 176.600 -0.462 0.000 1.044 176 K CA 1.305 57.392 56.287 -0.335 0.000 0.942 176 K CB -0.360 31.733 32.500 -0.679 0.000 0.726 176 K HN 0.598 8.848 8.250 0.000 0.000 0.440 177 Y N 0.920 121.189 120.300 -0.053 0.000 2.377 177 Y HA 0.098 4.648 4.550 0.000 0.000 0.330 177 Y C 0.324 176.169 175.900 -0.092 0.000 1.108 177 Y CA -0.433 57.618 58.100 -0.082 0.000 1.308 177 Y CB 0.456 38.921 38.460 0.010 0.000 1.216 177 Y HN 0.021 8.301 8.280 0.000 0.000 0.518 178 I N 5.137 125.688 120.570 -0.032 0.000 2.537 178 I HA 0.225 4.394 4.170 -0.002 0.000 0.276 178 I C -0.477 175.648 176.117 0.013 0.000 1.063 178 I CA -0.682 60.579 61.300 -0.066 0.000 1.144 178 I CB 0.301 38.159 38.000 -0.236 0.000 1.252 178 I HN 0.303 8.513 8.210 0.000 0.000 0.480 179 V N 6.495 126.429 119.914 0.034 0.000 2.863 179 V HA 0.536 4.655 4.120 -0.002 0.000 0.307 179 V C 0.252 176.218 176.094 -0.214 0.000 1.061 179 V CA -0.631 61.654 62.300 -0.026 0.000 1.024 179 V CB 2.491 34.326 31.823 0.020 0.000 1.049 179 V HN 0.413 8.603 8.190 0.000 0.000 0.471 180 L N 4.021 125.093 121.223 -0.251 0.000 2.528 180 L HA 0.555 4.893 4.340 -0.002 0.000 0.267 180 L C -1.374 175.370 176.870 -0.209 0.000 0.961 180 L CA -0.225 54.410 54.840 -0.341 0.000 0.866 180 L CB 1.603 43.531 42.059 -0.218 0.000 1.248 180 L HN 0.687 8.917 8.230 0.000 0.000 0.404 181 F N 0.513 120.519 119.950 0.093 0.000 2.577 181 F HA 1.030 5.556 4.527 -0.001 0.000 0.318 181 F C 0.322 176.130 175.800 0.014 0.000 1.065 181 F CA -1.307 56.755 58.000 0.102 0.000 0.929 181 F CB 1.804 40.892 39.000 0.147 0.000 1.237 181 F HN 0.492 8.792 8.300 0.000 0.000 0.468 182 G N -0.077 108.912 108.800 0.316 0.000 2.348 182 G HA2 0.415 4.374 3.960 -0.002 0.000 0.296 182 G HA3 0.415 4.374 3.960 -0.002 0.000 0.296 182 G C -1.599 173.483 174.900 0.303 0.000 1.258 182 G CA -0.850 44.328 45.100 0.131 0.000 0.868 182 G HN 0.741 9.031 8.290 0.000 0.000 0.488 183 S N 0.118 115.913 115.700 0.159 0.000 2.584 183 S HA 0.469 4.937 4.470 -0.002 0.000 0.270 183 S C 0.882 175.555 174.600 0.121 0.000 1.346 183 S CA 0.448 58.750 58.200 0.170 0.000 1.018 183 S CB 0.776 64.029 63.200 0.089 0.000 0.899 183 S HN 1.236 9.546 8.310 0.000 0.000 0.542 184 T N -0.242 114.359 114.554 0.077 0.000 2.751 184 T HA 0.479 4.827 4.350 -0.002 0.000 0.290 184 T C 1.138 175.856 174.700 0.030 0.000 0.919 184 T CA -0.028 62.094 62.100 0.035 0.000 1.136 184 T CB -0.023 68.844 68.868 -0.003 0.000 0.875 184 T HN 1.158 9.398 8.240 0.000 0.000 0.532 185 G N 2.213 111.029 108.800 0.025 0.000 2.175 185 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.244 185 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.244 185 G C 0.992 175.903 174.900 0.019 0.000 0.982 185 G CA 0.068 45.179 45.100 0.018 0.000 0.641 185 G HN 1.291 9.581 8.290 0.000 0.000 0.527 186 A N -0.288 122.546 122.820 0.024 0.000 1.897 186 A HA 0.526 4.845 4.320 -0.002 0.000 0.215 186 A C 2.311 179.898 177.584 0.005 0.000 1.181 186 A CA 2.471 54.521 52.037 0.022 0.000 0.620 186 A CB -0.216 18.799 19.000 0.024 0.000 0.821 186 A HN 2.315 10.464 8.150 0.000 0.000 0.443 187 G N -1.752 107.040 108.800 -0.013 0.000 3.698 187 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.222 187 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.222 187 G C 0.635 175.490 174.900 -0.076 0.000 0.908 187 G CA 0.433 45.509 45.100 -0.041 0.000 1.077 187 G HN 0.279 8.569 8.290 0.000 0.000 0.709 188 K N 0.032 120.396 120.400 -0.060 0.000 1.977 188 K HA -0.116 4.203 4.320 -0.002 0.000 0.218 188 K C 2.577 179.091 176.600 -0.145 0.000 1.051 188 K CA 2.311 58.550 56.287 -0.081 0.000 0.953 188 K CB -0.287 32.199 32.500 -0.025 0.000 0.727 188 K HN 0.234 8.484 8.250 0.000 0.000 0.445 189 T N 0.500 114.962 114.554 -0.153 0.000 2.643 189 T HA -0.122 4.227 4.350 -0.002 0.000 0.264 189 T C 1.870 176.354 174.700 -0.360 0.000 1.045 189 T CA 1.912 63.861 62.100 -0.251 0.000 1.155 189 T CB -0.450 68.279 68.868 -0.232 0.000 0.863 189 T HN 0.293 8.533 8.240 0.000 0.000 0.420 190 T N 1.679 116.060 114.554 -0.288 0.000 2.969 190 T HA -0.102 4.247 4.350 -0.002 0.000 0.271 190 T C 1.967 176.509 174.700 -0.263 0.000 1.127 190 T CA 1.358 63.286 62.100 -0.287 0.000 1.102 190 T CB -0.433 68.354 68.868 -0.134 0.000 0.855 190 T HN 0.427 8.667 8.240 0.000 0.000 0.536 191 T N 1.529 115.930 114.554 -0.255 0.000 2.866 191 T HA 0.226 4.575 4.350 -0.002 0.000 0.250 191 T C 1.960 176.435 174.700 -0.376 0.000 1.033 191 T CA 0.220 62.159 62.100 -0.268 0.000 1.145 191 T CB -0.285 68.447 68.868 -0.226 0.000 0.866 191 T HN 0.219 8.459 8.240 0.000 0.000 0.434 192 L N 1.038 122.027 121.223 -0.390 0.000 2.137 192 L HA -0.226 4.113 4.340 -0.002 0.000 0.213 192 L C 2.864 179.419 176.870 -0.524 0.000 1.085 192 L CA 1.235 55.786 54.840 -0.481 0.000 0.760 192 L CB -0.595 41.286 42.059 -0.297 0.000 0.893 192 L HN 0.286 8.516 8.230 0.000 0.000 0.434 193 A N 0.246 122.799 122.820 -0.444 0.000 1.835 193 A HA -0.231 4.088 4.320 -0.002 0.000 0.215 193 A C 2.242 179.666 177.584 -0.268 0.000 1.199 193 A CA 1.746 53.572 52.037 -0.352 0.000 0.615 193 A CB -0.435 18.295 19.000 -0.450 0.000 0.838 193 A HN 0.307 8.457 8.150 0.000 0.000 0.444 194 K N -0.851 119.397 120.400 -0.253 0.000 2.127 194 K HA -0.201 4.118 4.320 -0.002 0.000 0.208 194 K C 1.820 178.255 176.600 -0.276 0.000 1.047 194 K CA 1.559 57.724 56.287 -0.203 0.000 0.927 194 K CB -0.464 31.928 32.500 -0.180 0.000 0.716 194 K HN 0.305 8.555 8.250 0.000 0.000 0.450 195 L N 0.642 121.592 121.223 -0.455 0.000 2.023 195 L HA -0.124 4.215 4.340 -0.002 0.000 0.205 195 L C 2.454 179.021 176.870 -0.506 0.000 1.073 195 L CA 1.809 56.317 54.840 -0.553 0.000 0.745 195 L CB -0.917 40.666 42.059 -0.792 0.000 0.900 195 L HN 0.154 8.384 8.230 0.000 0.000 0.435 196 A N -0.381 121.944 122.820 -0.825 0.000 1.859 196 A HA -0.278 4.041 4.320 -0.002 0.000 0.217 196 A C 2.406 179.945 177.584 -0.076 0.000 1.198 196 A CA 2.289 54.047 52.037 -0.465 0.000 0.629 196 A CB -1.316 17.537 19.000 -0.246 0.000 0.830 196 A HN 0.425 8.575 8.150 0.000 0.000 0.446 197 A N -0.941 121.838 122.820 -0.069 0.000 2.148 197 A HA -0.103 4.216 4.320 -0.002 0.000 0.222 197 A C 1.864 179.436 177.584 -0.019 0.000 1.161 197 A CA 1.763 53.793 52.037 -0.011 0.000 0.662 197 A CB -0.517 18.477 19.000 -0.009 0.000 0.799 197 A HN 0.476 8.626 8.150 0.000 0.000 0.466 198 I N -1.215 119.336 120.570 -0.033 0.000 2.556 198 I HA -0.023 4.146 4.170 -0.002 0.000 0.251 198 I C 1.942 178.079 176.117 0.034 0.000 1.105 198 I CA 1.092 62.388 61.300 -0.007 0.000 1.436 198 I CB -1.354 36.642 38.000 -0.007 0.000 1.139 198 I HN 0.152 8.362 8.210 0.000 0.000 0.438 199 S N 0.559 116.331 115.700 0.120 0.000 2.603 199 S HA 0.012 4.481 4.470 -0.002 0.000 0.229 199 S C 1.518 176.181 174.600 0.104 0.000 0.972 199 S CA 0.830 59.151 58.200 0.201 0.000 0.935 199 S CB -0.039 63.434 63.200 0.456 0.000 0.769 199 S HN 0.420 8.730 8.310 0.000 0.000 0.536 200 M N 0.116 119.744 119.600 0.047 0.000 3.150 200 M HA 0.313 4.792 4.480 -0.002 0.000 0.198 200 M C 0.073 176.328 176.300 -0.074 0.000 1.867 200 M CA 0.460 55.773 55.300 0.022 0.000 1.442 200 M CB 0.065 32.704 32.600 0.065 0.000 1.090 200 M HN 0.083 8.373 8.290 0.000 0.000 0.600 201 L N 0.826 122.018 121.223 -0.052 0.000 2.749 201 L HA 0.008 4.347 4.340 -0.002 0.000 0.245 201 L C 0.856 177.594 176.870 -0.220 0.000 1.156 201 L CA 0.545 55.332 54.840 -0.087 0.000 0.890 201 L CB -0.796 41.257 42.059 -0.010 0.000 1.036 201 L HN 0.559 8.789 8.230 0.000 0.000 0.441 202 E N -0.525 119.482 120.200 -0.322 0.000 2.783 202 E HA 0.069 4.418 4.350 -0.002 0.000 0.205 202 E C 0.908 177.317 176.600 -0.320 0.000 0.955 202 E CA -0.017 56.211 56.400 -0.287 0.000 1.594 202 E CB 0.508 30.148 29.700 -0.100 0.000 1.686 202 E HN 0.342 8.702 8.360 0.000 0.000 0.902 203 K N 0.990 121.261 120.400 -0.215 0.000 2.399 203 K HA 0.162 4.480 4.320 -0.002 0.000 0.204 203 K C -0.786 175.797 176.600 -0.029 0.000 1.023 203 K CA -0.161 56.082 56.287 -0.074 0.000 1.127 203 K CB 0.567 33.084 32.500 0.028 0.000 0.856 203 K HN 0.130 8.380 8.250 0.000 0.000 0.514 204 H N 1.729 120.812 119.070 0.021 0.000 2.500 204 H HA -0.181 4.374 4.556 -0.002 0.000 0.292 204 H C -0.493 174.815 175.328 -0.032 0.000 0.829 204 H CA 1.048 57.096 56.048 0.000 0.000 0.949 204 H CB -0.833 28.927 29.762 -0.003 0.000 1.563 204 H HN 0.275 8.555 8.280 0.000 0.000 0.297 205 K N 1.832 122.255 120.400 0.039 0.000 2.533 205 K HA 0.306 4.625 4.320 -0.002 0.000 0.272 205 K C -0.088 176.481 176.600 -0.052 0.000 0.985 205 K CA -1.086 55.166 56.287 -0.058 0.000 0.876 205 K CB 2.088 34.473 32.500 -0.192 0.000 1.452 205 K HN 0.155 8.405 8.250 0.000 0.000 0.439 206 K N 1.988 122.324 120.400 -0.107 0.000 2.294 206 K HA 0.201 4.520 4.320 -0.002 0.000 0.288 206 K C -0.215 176.454 176.600 0.114 0.000 1.072 206 K CA -0.075 56.166 56.287 -0.077 0.000 0.960 206 K CB -0.041 32.285 32.500 -0.290 0.000 1.043 206 K HN 0.219 8.469 8.250 0.000 0.000 0.455 207 I N 2.547 123.209 120.570 0.153 0.000 2.392 207 I HA 0.422 4.591 4.170 -0.002 0.000 0.295 207 I C 0.392 176.414 176.117 -0.159 0.000 0.985 207 I CA -0.493 60.808 61.300 0.001 0.000 1.221 207 I CB 1.210 39.188 38.000 -0.036 0.000 1.366 207 I HN 0.654 8.864 8.210 0.000 0.000 0.467 208 A N 5.710 128.169 122.820 -0.602 0.000 2.530 208 A HA 0.916 5.234 4.320 -0.002 0.000 0.288 208 A C -1.626 175.354 177.584 -1.007 0.000 1.172 208 A CA -0.396 51.026 52.037 -1.026 0.000 0.733 208 A CB 1.755 19.590 19.000 -1.943 0.000 1.320 208 A HN 0.406 8.556 8.150 0.000 0.000 0.419 209 F N -0.747 118.826 119.950 -0.628 0.000 2.601 209 F HA 0.754 5.279 4.527 -0.003 0.000 0.309 209 F C -0.331 175.362 175.800 -0.179 0.000 1.089 209 F CA -0.495 57.349 58.000 -0.260 0.000 0.940 209 F CB 2.184 41.134 39.000 -0.082 0.000 1.273 209 F HN 0.430 8.730 8.300 0.000 0.000 0.450 210 I N 1.145 121.843 120.570 0.214 0.000 2.827 210 I HA 0.584 4.753 4.170 -0.002 0.000 0.298 210 I C -1.090 175.152 176.117 0.208 0.000 1.235 210 I CA -0.567 60.868 61.300 0.225 0.000 1.021 210 I CB 2.842 40.983 38.000 0.235 0.000 1.259 210 I HN 0.450 8.660 8.210 0.000 0.000 0.427 211 T N 1.565 116.218 114.554 0.165 0.000 2.909 211 T HA 0.366 4.715 4.350 -0.002 0.000 0.299 211 T C 0.164 174.896 174.700 0.053 0.000 1.073 211 T CA -0.479 61.674 62.100 0.090 0.000 0.999 211 T CB 2.152 71.035 68.868 0.025 0.000 1.098 211 T HN 0.665 8.905 8.240 0.000 0.000 0.477 212 T N -0.198 114.361 114.554 0.008 0.000 3.010 212 T HA 0.127 4.475 4.350 -0.002 0.000 0.257 212 T C 0.441 175.089 174.700 -0.087 0.000 1.020 212 T CA -0.247 61.823 62.100 -0.050 0.000 0.938 212 T CB 0.161 68.996 68.868 -0.055 0.000 1.049 212 T HN 0.529 8.769 8.240 0.000 0.000 0.522 213 D N 2.359 122.725 120.400 -0.057 0.000 2.357 213 D HA 0.096 4.735 4.640 -0.002 0.000 0.265 213 D C 0.516 176.762 176.300 -0.091 0.000 1.334 213 D CA 0.545 54.516 54.000 -0.048 0.000 0.984 213 D CB 0.889 41.673 40.800 -0.027 0.000 1.077 213 D HN 0.145 8.515 8.370 0.000 0.000 0.514 214 T N 2.614 117.111 114.554 -0.095 0.000 3.234 214 T HA -0.105 4.244 4.350 -0.002 0.000 0.235 214 T C 1.460 176.177 174.700 0.029 0.000 0.971 214 T CA -0.085 61.939 62.100 -0.126 0.000 1.292 214 T CB -0.635 68.085 68.868 -0.247 0.000 0.994 214 T HN 0.423 8.663 8.240 0.000 0.000 0.412 215 Y N 2.509 122.775 120.300 -0.055 0.000 2.261 215 Y HA -0.249 4.300 4.550 -0.002 0.000 0.264 215 Y C 1.166 177.051 175.900 -0.024 0.000 1.313 215 Y CA 1.620 59.704 58.100 -0.027 0.000 1.079 215 Y CB -0.062 38.369 38.460 -0.049 0.000 0.888 215 Y HN -0.014 8.266 8.280 0.000 0.000 0.523 216 R N 1.341 121.850 120.500 0.013 0.000 2.357 216 R HA 0.270 4.609 4.340 -0.002 0.000 0.296 216 R C -0.130 176.133 176.300 -0.062 0.000 1.052 216 R CA -0.202 55.860 56.100 -0.063 0.000 0.988 216 R CB 0.261 30.559 30.300 -0.002 0.000 1.025 216 R HN 0.379 8.649 8.270 0.000 0.000 0.469 217 I N 1.659 122.181 120.570 -0.080 0.000 2.741 217 I HA -0.011 4.158 4.170 -0.002 0.000 0.288 217 I C 0.959 177.059 176.117 -0.027 0.000 1.192 217 I CA 0.660 61.929 61.300 -0.051 0.000 1.426 217 I CB 0.379 38.347 38.000 -0.054 0.000 1.367 217 I HN 0.886 9.096 8.210 0.000 0.000 0.563 218 A N 3.650 126.462 122.820 -0.014 0.000 2.799 218 A HA -0.284 4.034 4.320 -0.002 0.000 0.274 218 A C 1.878 179.458 177.584 -0.006 0.000 1.393 218 A CA 1.349 53.383 52.037 -0.006 0.000 0.909 218 A CB -1.844 17.152 19.000 -0.006 0.000 1.012 218 A HN 1.514 9.664 8.150 0.000 0.000 0.653 219 A N -1.163 121.650 122.820 -0.011 0.000 1.978 219 A HA 0.062 4.381 4.320 -0.002 0.000 0.220 219 A C 2.098 179.674 177.584 -0.013 0.000 1.170 219 A CA 2.203 54.233 52.037 -0.011 0.000 0.636 219 A CB -0.591 18.402 19.000 -0.012 0.000 0.810 219 A HN 1.247 9.397 8.150 0.000 0.000 0.448 220 V N -0.154 119.752 119.914 -0.012 0.000 2.453 220 V HA -0.160 3.959 4.120 -0.002 0.000 0.247 220 V C 2.410 178.502 176.094 -0.004 0.000 1.048 220 V CA 1.693 63.985 62.300 -0.013 0.000 1.049 220 V CB -0.681 31.138 31.823 -0.006 0.000 0.672 220 V HN 0.476 8.666 8.190 0.000 0.000 0.457 221 E N 0.143 120.345 120.200 0.003 0.000 2.208 221 E HA -0.317 4.032 4.350 -0.002 0.000 0.202 221 E C 2.132 178.740 176.600 0.012 0.000 1.014 221 E CA 1.665 58.068 56.400 0.005 0.000 0.819 221 E CB -0.201 29.500 29.700 0.002 0.000 0.735 221 E HN 0.717 9.077 8.360 0.000 0.000 0.469 222 Q N -0.173 119.643 119.800 0.026 0.000 1.948 222 Q HA -0.190 4.149 4.340 -0.002 0.000 0.205 222 Q C 2.291 178.390 176.000 0.164 0.000 0.992 222 Q CA 1.513 57.368 55.803 0.086 0.000 0.849 222 Q CB -0.212 28.569 28.738 0.071 0.000 0.918 222 Q HN 0.216 8.486 8.270 0.000 0.000 0.421 223 L N 1.243 122.490 121.223 0.040 0.000 2.201 223 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 223 L C 2.205 179.037 176.870 -0.064 0.000 1.105 223 L CA 1.576 56.376 54.840 -0.067 0.000 0.775 223 L CB -0.513 41.399 42.059 -0.245 0.000 0.913 223 L HN 0.122 8.352 8.230 0.000 0.000 0.440 224 K N -0.207 120.177 120.400 -0.025 0.000 2.020 224 K HA -0.192 4.127 4.320 -0.002 0.000 0.212 224 K C 1.801 178.396 176.600 -0.009 0.000 1.050 224 K CA 2.099 58.379 56.287 -0.012 0.000 0.929 224 K CB -0.650 31.853 32.500 0.005 0.000 0.714 224 K HN 0.557 8.807 8.250 0.000 0.000 0.443 225 T N -2.205 112.340 114.554 -0.015 0.000 3.169 225 T HA 0.037 4.386 4.350 -0.002 0.000 0.250 225 T C 1.554 176.192 174.700 -0.103 0.000 1.111 225 T CA -0.047 62.022 62.100 -0.052 0.000 1.010 225 T CB -0.200 68.621 68.868 -0.079 0.000 0.984 225 T HN 0.110 8.350 8.240 0.000 0.000 0.537 226 Y N 0.965 121.184 120.300 -0.135 0.000 2.436 226 Y HA 0.508 5.057 4.550 -0.002 0.000 0.288 226 Y C 2.701 178.514 175.900 -0.144 0.000 1.112 226 Y CA 0.429 58.431 58.100 -0.164 0.000 1.220 226 Y CB -0.214 38.086 38.460 -0.268 0.000 1.073 226 Y HN 0.378 8.658 8.280 0.000 0.000 0.552 227 A N -0.048 122.765 122.820 -0.012 0.000 1.930 227 A HA -0.111 4.208 4.320 -0.002 0.000 0.215 227 A C 1.879 179.530 177.584 0.112 0.000 1.176 227 A CA 1.301 53.391 52.037 0.088 0.000 0.632 227 A CB -0.482 18.576 19.000 0.096 0.000 0.819 227 A HN 0.460 8.610 8.150 0.000 0.000 0.445 228 E N -0.012 120.220 120.200 0.053 0.000 2.333 228 E HA -0.144 4.204 4.350 -0.002 0.000 0.200 228 E C 1.328 177.949 176.600 0.035 0.000 1.010 228 E CA 0.870 57.295 56.400 0.043 0.000 0.841 228 E CB -0.246 29.461 29.700 0.012 0.000 0.757 228 E HN 0.646 9.006 8.360 0.000 0.000 0.508 229 L N -0.499 120.742 121.223 0.030 0.000 2.513 229 L HA 0.051 4.390 4.340 -0.002 0.000 0.222 229 L C 1.217 178.126 176.870 0.066 0.000 1.096 229 L CA 0.013 54.865 54.840 0.021 0.000 0.857 229 L CB 0.312 42.353 42.059 -0.031 0.000 1.026 229 L HN 0.088 8.318 8.230 0.000 0.000 0.469 230 L N -0.185 121.109 121.223 0.119 0.000 2.910 230 L HA 0.215 4.554 4.340 -0.002 0.000 0.252 230 L C 0.829 177.790 176.870 0.152 0.000 1.195 230 L CA 0.440 55.371 54.840 0.152 0.000 1.003 230 L CB -0.244 41.959 42.059 0.241 0.000 1.328 230 L HN 0.174 8.404 8.230 0.000 0.000 0.540 231 Q N -0.553 119.323 119.800 0.126 0.000 2.374 231 Q HA -0.251 4.087 4.340 -0.002 0.000 0.281 231 Q C 0.440 176.533 176.000 0.154 0.000 1.154 231 Q CA 0.764 56.639 55.803 0.121 0.000 0.926 231 Q CB -1.269 27.526 28.738 0.095 0.000 1.308 231 Q HN 0.555 8.825 8.270 0.000 0.000 0.520 232 A N -0.296 122.642 122.820 0.197 0.000 2.281 232 A HA 0.767 5.086 4.320 -0.002 0.000 0.329 232 A C -2.120 175.599 177.584 0.226 0.000 1.122 232 A CA -1.383 50.779 52.037 0.209 0.000 0.850 232 A CB 0.763 19.882 19.000 0.198 0.000 1.207 232 A HN -0.001 8.149 8.150 0.000 0.000 0.495 233 P HA 0.606 5.026 4.420 0.000 0.000 0.323 233 P C -0.925 176.542 177.300 0.278 0.000 1.319 233 P CA -0.467 62.786 63.100 0.255 0.000 0.741 233 P CB 0.388 32.339 31.700 0.418 0.000 1.545 234 L N -2.232 119.193 121.223 0.335 0.000 3.355 234 L HA 0.282 4.621 4.340 -0.002 0.000 0.251 234 L C -1.919 175.123 176.870 0.286 0.000 0.980 234 L CA -0.517 54.500 54.840 0.296 0.000 1.051 234 L CB 1.276 43.443 42.059 0.181 0.000 1.710 234 L HN 0.201 8.431 8.230 0.000 0.000 0.469 235 E N 3.023 123.396 120.200 0.288 0.000 2.343 235 E HA 0.664 5.013 4.350 -0.002 0.000 0.270 235 E C -1.476 175.226 176.600 0.169 0.000 0.895 235 E CA -0.591 55.934 56.400 0.209 0.000 0.767 235 E CB 3.086 32.911 29.700 0.208 0.000 1.248 235 E HN 0.335 8.695 8.360 0.000 0.000 0.440 236 V N 1.609 121.611 119.914 0.147 0.000 2.409 236 V HA 0.332 4.450 4.120 -0.002 0.000 0.290 236 V C -0.379 175.815 176.094 0.166 0.000 1.017 236 V CA -0.821 61.544 62.300 0.109 0.000 0.841 236 V CB 0.989 32.868 31.823 0.094 0.000 1.003 236 V HN 0.718 8.908 8.190 0.000 0.000 0.426 237 C N 3.978 123.357 119.300 0.131 0.000 2.411 237 C HA 0.646 5.105 4.460 -0.002 0.000 0.330 237 C C 0.504 175.578 174.990 0.141 0.000 1.224 237 C CA -0.666 58.491 59.018 0.231 0.000 1.770 237 C CB 0.645 28.541 27.740 0.260 0.000 2.297 237 C HN 0.849 9.079 8.230 0.000 0.000 0.507 238 Y N 0.568 120.912 120.300 0.073 0.000 2.442 238 Y HA 0.230 4.778 4.550 -0.004 0.000 0.250 238 Y C 1.506 177.433 175.900 0.046 0.000 1.113 238 Y CA 0.092 58.226 58.100 0.057 0.000 1.273 238 Y CB -0.064 38.426 38.460 0.051 0.000 1.138 238 Y HN 0.816 9.096 8.280 0.000 0.000 0.522 239 T N -2.957 111.726 114.554 0.216 0.000 2.916 239 T HA 0.253 4.601 4.350 -0.002 0.000 0.305 239 T C 0.680 175.453 174.700 0.122 0.000 1.119 239 T CA -0.983 61.193 62.100 0.128 0.000 1.008 239 T CB 2.397 71.325 68.868 0.101 0.000 1.129 239 T HN 0.200 8.440 8.240 0.000 0.000 0.480 240 K N 0.866 121.316 120.400 0.084 0.000 2.218 240 K HA -0.221 4.098 4.320 -0.002 0.000 0.205 240 K C 1.149 177.825 176.600 0.127 0.000 1.046 240 K CA 1.767 58.119 56.287 0.109 0.000 0.933 240 K CB -0.263 32.266 32.500 0.048 0.000 0.728 240 K HN 0.541 8.791 8.250 0.000 0.000 0.454 241 E N 1.582 121.833 120.200 0.085 0.000 2.070 241 E HA -0.180 4.168 4.350 -0.002 0.000 0.197 241 E C 1.827 178.466 176.600 0.066 0.000 1.004 241 E CA 1.951 58.388 56.400 0.061 0.000 0.805 241 E CB -0.116 29.611 29.700 0.044 0.000 0.744 241 E HN 0.576 8.936 8.360 0.000 0.000 0.451 242 E N -0.716 119.543 120.200 0.099 0.000 2.107 242 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 242 E C 1.815 178.477 176.600 0.104 0.000 0.982 242 E CA 0.442 56.901 56.400 0.098 0.000 0.809 242 E CB -0.203 29.584 29.700 0.146 0.000 0.756 242 E HN 0.187 8.547 8.360 0.000 0.000 0.459 243 F N 2.160 122.112 119.950 0.004 0.000 2.134 243 F HA -0.236 4.289 4.527 -0.003 0.000 0.299 243 F C 2.473 178.242 175.800 -0.051 0.000 1.097 243 F CA 1.695 59.681 58.000 -0.024 0.000 1.264 243 F CB -0.040 38.925 39.000 -0.057 0.000 1.001 243 F HN -0.084 8.216 8.300 0.000 0.000 0.479 244 Q N 0.360 120.130 119.800 -0.050 0.000 2.119 244 Q HA -0.178 4.161 4.340 -0.002 0.000 0.201 244 Q C 2.233 178.141 176.000 -0.153 0.000 0.972 244 Q CA 1.728 57.446 55.803 -0.142 0.000 0.847 244 Q CB -0.358 28.364 28.738 -0.027 0.000 0.903 244 Q HN 0.543 8.813 8.270 0.000 0.000 0.433 245 Q N -0.756 118.989 119.800 -0.091 0.000 2.077 245 Q HA -0.210 4.129 4.340 -0.002 0.000 0.206 245 Q C 1.990 177.897 176.000 -0.156 0.000 0.989 245 Q CA 1.606 57.355 55.803 -0.091 0.000 0.853 245 Q CB -0.336 28.372 28.738 -0.050 0.000 0.907 245 Q HN 0.508 8.778 8.270 0.000 0.000 0.418 246 A N 1.143 123.851 122.820 -0.187 0.000 1.940 246 A HA -0.219 4.099 4.320 -0.002 0.000 0.219 246 A C 1.905 179.359 177.584 -0.218 0.000 1.176 246 A CA 1.440 53.341 52.037 -0.227 0.000 0.631 246 A CB -0.321 18.581 19.000 -0.164 0.000 0.814 246 A HN 0.179 8.329 8.150 0.000 0.000 0.446 247 K N -0.528 119.705 120.400 -0.278 0.000 2.147 247 K HA -0.138 4.181 4.320 -0.002 0.000 0.205 247 K C 1.953 178.558 176.600 0.009 0.000 1.049 247 K CA 1.469 57.671 56.287 -0.142 0.000 0.936 247 K CB -0.117 32.189 32.500 -0.324 0.000 0.722 247 K HN 0.651 8.901 8.250 0.000 0.000 0.446 248 E N 0.675 120.832 120.200 -0.071 0.000 2.028 248 E HA -0.178 4.171 4.350 -0.002 0.000 0.191 248 E C 1.863 178.416 176.600 -0.079 0.000 0.988 248 E CA 0.612 56.988 56.400 -0.040 0.000 0.799 248 E CB -0.106 29.559 29.700 -0.058 0.000 0.755 248 E HN 0.054 8.414 8.360 0.000 0.000 0.447 249 L N 0.233 121.318 121.223 -0.231 0.000 2.357 249 L HA -0.192 4.147 4.340 -0.002 0.000 0.220 249 L C 1.121 177.700 176.870 -0.484 0.000 1.123 249 L CA 1.606 56.198 54.840 -0.413 0.000 0.782 249 L CB -0.119 41.547 42.059 -0.654 0.000 0.910 249 L HN 0.071 8.301 8.230 0.000 0.000 0.442 250 F N -2.535 117.424 119.950 0.014 0.000 2.728 250 F HA 0.145 4.671 4.527 -0.003 0.000 0.314 250 F C 2.258 178.211 175.800 0.256 0.000 1.094 250 F CA 0.375 58.400 58.000 0.041 0.000 1.217 250 F CB -0.931 37.934 39.000 -0.225 0.000 1.056 250 F HN 0.092 8.392 8.300 0.000 0.000 0.577 251 S N 0.606 116.470 115.700 0.274 0.000 2.502 251 S HA -0.351 4.117 4.470 -0.002 0.000 0.288 251 S C 1.391 176.090 174.600 0.164 0.000 1.186 251 S CA 2.159 60.469 58.200 0.184 0.000 1.182 251 S CB -0.826 62.435 63.200 0.102 0.000 1.135 251 S HN 0.459 8.769 8.310 0.000 0.000 0.442 252 E N 0.814 121.119 120.200 0.175 0.000 2.461 252 E HA 0.134 4.483 4.350 -0.002 0.000 0.196 252 E C -0.624 175.927 176.600 -0.081 0.000 1.129 252 E CA 0.225 56.638 56.400 0.021 0.000 0.902 252 E CB -0.444 29.222 29.700 -0.057 0.000 0.963 252 E HN 0.737 9.097 8.360 0.000 0.000 0.503 253 Y N 0.612 120.898 120.300 -0.022 0.000 2.387 253 Y HA 0.127 4.676 4.550 -0.002 0.000 0.336 253 Y C 1.418 177.210 175.900 -0.180 0.000 1.067 253 Y CA -0.933 57.115 58.100 -0.086 0.000 1.114 253 Y CB 1.225 39.641 38.460 -0.073 0.000 1.208 253 Y HN -0.204 8.076 8.280 0.000 0.000 0.458 254 D N 0.365 120.700 120.400 -0.108 0.000 2.075 254 D HA -0.121 4.518 4.640 -0.002 0.000 0.196 254 D C -0.187 175.947 176.300 -0.276 0.000 0.985 254 D CA 1.699 55.527 54.000 -0.288 0.000 0.834 254 D CB -0.032 40.479 40.800 -0.483 0.000 0.987 254 D HN 0.618 8.988 8.370 0.000 0.000 0.452 255 H N -0.858 118.049 119.070 -0.273 0.000 2.547 255 H HA 0.482 5.037 4.556 -0.002 0.000 0.342 255 H C -0.948 173.989 175.328 -0.651 0.000 1.048 255 H CA -0.802 54.929 56.048 -0.529 0.000 1.204 255 H CB 2.298 31.652 29.762 -0.679 0.000 1.493 255 H HN -0.252 8.028 8.280 0.000 0.000 0.511 256 V N 4.896 124.499 119.914 -0.518 0.000 2.293 256 V HA 0.131 4.250 4.120 -0.002 0.000 0.275 256 V C -0.583 175.289 176.094 -0.371 0.000 1.021 256 V CA -0.616 61.407 62.300 -0.463 0.000 0.815 256 V CB -0.226 31.506 31.823 -0.152 0.000 1.025 256 V HN 0.571 8.761 8.190 0.000 0.000 0.448 257 F N 4.081 123.855 119.950 -0.293 0.000 2.444 257 F HA 0.396 4.921 4.527 -0.002 0.000 0.360 257 F C 0.495 176.320 175.800 0.042 0.000 1.106 257 F CA -0.187 57.728 58.000 -0.143 0.000 1.170 257 F CB 0.964 39.860 39.000 -0.172 0.000 1.113 257 F HN 0.206 8.506 8.300 0.000 0.000 0.521 258 V N 2.636 122.689 119.914 0.233 0.000 2.716 258 V HA 0.414 4.533 4.120 -0.002 0.000 0.304 258 V C -0.344 175.829 176.094 0.131 0.000 1.053 258 V CA -0.683 61.742 62.300 0.210 0.000 0.984 258 V CB 1.881 33.840 31.823 0.226 0.000 1.021 258 V HN 0.592 8.782 8.190 0.000 0.000 0.467 259 D N 0.887 121.350 120.400 0.104 0.000 2.490 259 D HA 0.764 5.403 4.640 -0.002 0.000 0.232 259 D C -0.417 175.911 176.300 0.046 0.000 1.053 259 D CA -0.066 53.955 54.000 0.036 0.000 0.914 259 D CB 2.461 43.256 40.800 -0.008 0.000 1.431 259 D HN 0.868 9.238 8.370 0.000 0.000 0.483 260 T N -1.479 113.106 114.554 0.052 0.000 2.865 260 T HA 0.790 5.139 4.350 -0.002 0.000 0.294 260 T C -0.555 174.190 174.700 0.074 0.000 1.119 260 T CA -0.883 61.267 62.100 0.084 0.000 1.007 260 T CB 1.023 70.005 68.868 0.189 0.000 1.225 260 T HN 0.452 8.692 8.240 0.000 0.000 0.515 261 A N 0.409 123.267 122.820 0.063 0.000 2.401 261 A HA 0.656 4.974 4.320 -0.002 0.000 0.259 261 A C 0.893 178.489 177.584 0.020 0.000 1.103 261 A CA -0.118 51.929 52.037 0.017 0.000 0.789 261 A CB -0.548 18.431 19.000 -0.036 0.000 1.035 261 A HN 1.356 9.506 8.150 0.000 0.000 0.491 262 G N 2.130 110.921 108.800 -0.015 0.000 2.364 262 G HA2 0.521 4.479 3.960 -0.002 0.000 0.267 262 G HA3 0.521 4.479 3.960 -0.002 0.000 0.267 262 G C -0.070 174.681 174.900 -0.249 0.000 1.233 262 G CA -0.406 44.674 45.100 -0.034 0.000 0.885 262 G HN 0.667 8.957 8.290 0.000 0.000 0.490 263 R N 1.087 121.307 120.500 -0.467 0.000 2.707 263 R HA 0.167 4.506 4.340 -0.002 0.000 0.272 263 R C -1.067 174.750 176.300 -0.805 0.000 1.011 263 R CA -1.177 54.391 56.100 -0.887 0.000 0.893 263 R CB 1.480 30.903 30.300 -1.462 0.000 1.233 263 R HN 0.615 8.885 8.270 0.000 0.000 0.464 264 N N 1.711 120.086 118.700 -0.541 0.000 2.421 264 N HA 0.032 4.771 4.740 -0.002 0.000 0.260 264 N C -0.306 175.139 175.510 -0.110 0.000 1.173 264 N CA 0.056 52.990 53.050 -0.192 0.000 0.960 264 N CB -0.128 38.327 38.487 -0.053 0.000 1.273 264 N HN 0.404 8.784 8.380 0.000 0.000 0.497 265 F N 2.156 122.176 119.950 0.116 0.000 2.707 265 F HA 0.104 4.629 4.527 -0.004 0.000 0.299 265 F C 1.828 177.737 175.800 0.182 0.000 1.259 265 F CA 0.121 58.252 58.000 0.218 0.000 1.437 265 F CB -0.105 39.096 39.000 0.335 0.000 1.071 265 F HN 0.547 8.847 8.300 0.000 0.000 0.518 266 K N 0.324 120.867 120.400 0.239 0.000 2.102 266 K HA -0.067 4.252 4.320 -0.002 0.000 0.206 266 K C 0.770 177.440 176.600 0.116 0.000 1.031 266 K CA 0.184 56.562 56.287 0.152 0.000 0.962 266 K CB -0.147 32.408 32.500 0.093 0.000 0.811 266 K HN -0.007 8.243 8.250 0.000 0.000 0.453 267 D N 1.624 122.083 120.400 0.098 0.000 2.554 267 D HA -0.048 4.591 4.640 -0.002 0.000 0.251 267 D C -1.815 174.486 176.300 0.002 0.000 1.213 267 D CA -0.945 53.066 54.000 0.019 0.000 0.900 267 D CB 1.244 42.040 40.800 -0.007 0.000 1.135 267 D HN 0.066 8.436 8.370 0.000 0.000 0.522 268 P HA -0.156 4.264 4.420 0.000 0.000 0.219 268 P C 1.337 178.570 177.300 -0.113 0.000 1.146 268 P CA 0.633 63.711 63.100 -0.036 0.000 0.808 268 P CB 0.127 31.798 31.700 -0.049 0.000 0.779 269 Q N -1.240 118.406 119.800 -0.257 0.000 2.268 269 Q HA -0.222 4.117 4.340 -0.002 0.000 0.210 269 Q C 1.085 176.845 176.000 -0.399 0.000 0.988 269 Q CA 1.709 57.275 55.803 -0.395 0.000 0.883 269 Q CB -0.344 28.025 28.738 -0.614 0.000 0.911 269 Q HN 0.354 8.624 8.270 0.000 0.000 0.430 270 Y N -1.497 118.763 120.300 -0.067 0.000 2.510 270 Y HA 0.014 4.563 4.550 -0.001 0.000 0.273 270 Y C 1.723 177.643 175.900 0.033 0.000 1.119 270 Y CA -0.042 58.016 58.100 -0.071 0.000 1.286 270 Y CB 0.214 38.543 38.460 -0.219 0.000 1.061 270 Y HN 0.057 8.337 8.280 0.000 0.000 0.542 271 I N -0.287 120.359 120.570 0.128 0.000 2.716 271 I HA -0.137 4.032 4.170 -0.002 0.000 0.259 271 I C 1.760 177.826 176.117 -0.085 0.000 1.172 271 I CA 0.810 62.080 61.300 -0.050 0.000 1.478 271 I CB -0.338 37.562 38.000 -0.166 0.000 1.104 271 I HN 0.107 8.317 8.210 0.000 0.000 0.439 272 D N 0.343 120.713 120.400 -0.050 0.000 2.077 272 D HA -0.224 4.414 4.640 -0.002 0.000 0.196 272 D C 1.963 178.249 176.300 -0.023 0.000 0.986 272 D CA 1.207 55.176 54.000 -0.052 0.000 0.829 272 D CB -0.236 40.528 40.800 -0.061 0.000 0.983 272 D HN 0.391 8.761 8.370 0.000 0.000 0.453 273 E N 0.389 120.587 120.200 -0.003 0.000 2.136 273 E HA -0.238 4.111 4.350 -0.002 0.000 0.202 273 E C 2.197 178.810 176.600 0.022 0.000 1.019 273 E CA 0.923 57.336 56.400 0.023 0.000 0.819 273 E CB -0.104 29.642 29.700 0.077 0.000 0.739 273 E HN 0.067 8.427 8.360 0.000 0.000 0.458 274 L N 1.248 122.494 121.223 0.037 0.000 2.027 274 L HA -0.138 4.201 4.340 -0.002 0.000 0.206 274 L C 1.977 178.857 176.870 0.017 0.000 1.074 274 L CA 1.904 56.757 54.840 0.020 0.000 0.745 274 L CB -0.248 41.804 42.059 -0.011 0.000 0.898 274 L HN -0.046 8.184 8.230 0.000 0.000 0.433 275 K N -0.591 119.842 120.400 0.054 0.000 2.442 275 K HA -0.103 4.216 4.320 -0.002 0.000 0.198 275 K C 1.789 178.415 176.600 0.043 0.000 1.042 275 K CA 0.663 57.045 56.287 0.158 0.000 0.958 275 K CB 0.021 32.565 32.500 0.073 0.000 0.766 275 K HN 0.418 8.668 8.250 0.000 0.000 0.474 276 E N 0.293 120.489 120.200 -0.006 0.000 2.008 276 E HA -0.098 4.251 4.350 -0.002 0.000 0.191 276 E C 2.087 178.652 176.600 -0.057 0.000 0.986 276 E CA 1.306 57.695 56.400 -0.019 0.000 0.807 276 E CB -0.578 29.115 29.700 -0.011 0.000 0.766 276 E HN 0.150 8.510 8.360 0.000 0.000 0.450 277 T N 2.660 117.156 114.554 -0.096 0.000 2.545 277 T HA -0.102 4.247 4.350 -0.002 0.000 0.261 277 T C 1.445 175.933 174.700 -0.354 0.000 1.097 277 T CA 0.872 62.869 62.100 -0.172 0.000 1.189 277 T CB -0.394 68.354 68.868 -0.199 0.000 0.863 277 T HN 0.024 8.264 8.240 0.000 0.000 0.405 278 I N 3.316 123.539 120.570 -0.580 0.000 2.634 278 I HA 0.063 4.231 4.170 -0.002 0.000 0.284 278 I C -1.015 174.754 176.117 -0.581 0.000 1.124 278 I CA -1.671 59.098 61.300 -0.884 0.000 1.417 278 I CB 1.253 38.582 38.000 -1.120 0.000 1.396 278 I HN 0.193 8.403 8.210 0.000 0.000 0.571 279 P HA -0.003 4.417 4.420 0.000 0.000 0.215 279 P C -0.193 177.112 177.300 0.008 0.000 1.157 279 P CA 0.718 63.746 63.100 -0.120 0.000 0.869 279 P CB 0.387 32.083 31.700 -0.006 0.000 0.781 280 F N 0.395 120.368 119.950 0.038 0.000 2.173 280 F HA -0.076 4.448 4.527 -0.005 0.000 0.509 280 F C 0.244 176.075 175.800 0.051 0.000 1.273 280 F CA -0.023 58.006 58.000 0.048 0.000 1.634 280 F CB -1.871 37.139 39.000 0.017 0.000 2.601 280 F HN 0.226 8.526 8.300 0.000 0.000 0.728 281 E N 0.430 120.766 120.200 0.226 0.000 2.409 281 E HA 0.484 4.833 4.350 -0.002 0.000 0.280 281 E C 0.564 177.256 176.600 0.153 0.000 1.079 281 E CA -0.085 56.411 56.400 0.160 0.000 0.840 281 E CB 1.102 30.872 29.700 0.118 0.000 1.309 281 E HN 0.194 8.554 8.360 0.000 0.000 0.447 282 S N 1.140 116.911 115.700 0.119 0.000 2.767 282 S HA -0.363 4.106 4.470 -0.002 0.000 0.360 282 S C 1.279 175.954 174.600 0.125 0.000 1.411 282 S CA 3.137 61.400 58.200 0.105 0.000 1.088 282 S CB -1.288 61.962 63.200 0.084 0.000 1.265 282 S HN 0.970 9.280 8.310 0.000 0.000 0.448 283 S N 0.669 116.472 115.700 0.172 0.000 2.685 283 S HA 0.528 4.997 4.470 -0.002 0.000 0.240 283 S C 0.004 174.785 174.600 0.303 0.000 0.967 283 S CA -0.443 57.881 58.200 0.208 0.000 1.009 283 S CB -0.455 62.899 63.200 0.257 0.000 0.776 283 S HN 0.475 8.785 8.310 0.000 0.000 0.467 284 I N 1.423 122.146 120.570 0.254 0.000 2.436 284 I HA 0.316 4.484 4.170 -0.002 0.000 0.289 284 I C -0.333 175.925 176.117 0.234 0.000 1.010 284 I CA -0.465 61.001 61.300 0.276 0.000 1.098 284 I CB 2.120 40.284 38.000 0.273 0.000 1.266 284 I HN 0.141 8.351 8.210 0.000 0.000 0.434 285 Q N 4.711 124.652 119.800 0.235 0.000 2.509 285 Q HA 0.342 4.681 4.340 -0.002 0.000 0.236 285 Q C -0.599 175.632 176.000 0.386 0.000 1.073 285 Q CA -0.368 55.600 55.803 0.275 0.000 0.867 285 Q CB 1.427 30.366 28.738 0.334 0.000 1.181 285 Q HN 0.622 8.892 8.270 0.000 0.000 0.526 286 S N 1.714 117.584 115.700 0.283 0.000 2.585 286 S HA 0.437 4.906 4.470 -0.002 0.000 0.273 286 S C -0.559 174.151 174.600 0.183 0.000 1.339 286 S CA 0.056 58.398 58.200 0.236 0.000 1.028 286 S CB 0.413 63.822 63.200 0.350 0.000 0.906 286 S HN 0.308 8.618 8.310 0.000 0.000 0.528 287 F N 1.097 120.791 119.950 -0.427 0.000 2.573 287 F HA 0.399 4.924 4.527 -0.003 0.000 0.316 287 F C -0.615 174.906 175.800 -0.466 0.000 1.148 287 F CA -0.914 56.881 58.000 -0.342 0.000 0.940 287 F CB 1.302 40.162 39.000 -0.233 0.000 1.214 287 F HN 0.312 8.612 8.300 0.000 0.000 0.448 288 L N 5.061 126.227 121.223 -0.094 0.000 2.255 288 L HA 0.661 5.000 4.340 -0.002 0.000 0.289 288 L C -0.995 175.814 176.870 -0.102 0.000 1.046 288 L CA -0.338 54.499 54.840 -0.004 0.000 0.816 288 L CB 0.728 42.730 42.059 -0.095 0.000 1.197 288 L HN 0.358 8.588 8.230 0.000 0.000 0.427 289 V N 6.953 126.819 119.914 -0.080 0.000 2.432 289 V HA 0.452 4.571 4.120 -0.002 0.000 0.275 289 V C 0.188 176.194 176.094 -0.147 0.000 1.043 289 V CA -0.388 61.841 62.300 -0.119 0.000 0.925 289 V CB 1.153 32.937 31.823 -0.065 0.000 0.985 289 V HN 0.626 8.816 8.190 0.000 0.000 0.466 290 L N 3.424 124.498 121.223 -0.248 0.000 2.393 290 L HA 0.588 4.927 4.340 -0.002 0.000 0.260 290 L C -0.103 176.773 176.870 0.010 0.000 1.002 290 L CA -0.508 54.245 54.840 -0.145 0.000 0.818 290 L CB 2.403 44.331 42.059 -0.219 0.000 1.369 290 L HN 0.608 8.838 8.230 0.000 0.000 0.412 291 S N 0.551 116.311 115.700 0.100 0.000 2.499 291 S HA 0.473 4.942 4.470 -0.002 0.000 0.279 291 S C 0.930 175.655 174.600 0.209 0.000 1.219 291 S CA -0.013 58.271 58.200 0.140 0.000 1.062 291 S CB 1.708 64.961 63.200 0.088 0.000 0.978 291 S HN 0.720 9.030 8.310 0.000 0.000 0.489 292 A N 4.167 127.114 122.820 0.212 0.000 2.225 292 A HA 0.032 4.351 4.320 -0.002 0.000 0.215 292 A C 1.889 179.528 177.584 0.092 0.000 1.164 292 A CA 1.668 53.786 52.037 0.136 0.000 0.710 292 A CB -0.971 18.083 19.000 0.089 0.000 0.780 292 A HN 0.848 8.998 8.150 0.000 0.000 0.473 293 T N 0.283 114.892 114.554 0.092 0.000 2.985 293 T HA 0.282 4.631 4.350 -0.002 0.000 0.266 293 T C 1.155 175.895 174.700 0.067 0.000 1.076 293 T CA 0.659 62.800 62.100 0.068 0.000 1.135 293 T CB -0.294 68.609 68.868 0.059 0.000 0.890 293 T HN 0.592 8.832 8.240 0.000 0.000 0.480 294 A N 1.897 124.765 122.820 0.081 0.000 2.445 294 A HA 0.301 4.620 4.320 -0.002 0.000 0.242 294 A C 0.286 177.916 177.584 0.076 0.000 1.075 294 A CA -0.168 51.913 52.037 0.074 0.000 0.777 294 A CB 0.187 19.236 19.000 0.081 0.000 1.013 294 A HN 0.375 8.525 8.150 0.000 0.000 0.493 295 K N 0.744 121.180 120.400 0.060 0.000 2.326 295 K HA 0.087 4.406 4.320 -0.002 0.000 0.275 295 K C 0.574 177.222 176.600 0.080 0.000 1.018 295 K CA -0.086 56.241 56.287 0.067 0.000 0.962 295 K CB 0.435 32.958 32.500 0.038 0.000 0.953 295 K HN 0.743 8.993 8.250 0.000 0.000 0.475 296 Y N 2.513 122.809 120.300 -0.007 0.000 2.097 296 Y HA -0.311 4.238 4.550 -0.001 0.000 0.282 296 Y C 2.057 177.928 175.900 -0.048 0.000 1.152 296 Y CA 2.073 60.164 58.100 -0.014 0.000 1.136 296 Y CB -0.208 38.247 38.460 -0.008 0.000 0.975 296 Y HN 0.741 9.021 8.280 0.000 0.000 0.498 297 E N 0.531 120.535 120.200 -0.327 0.000 2.147 297 E HA -0.214 4.135 4.350 -0.002 0.000 0.199 297 E C 1.742 178.048 176.600 -0.489 0.000 1.005 297 E CA 1.911 58.008 56.400 -0.505 0.000 0.810 297 E CB -0.373 29.174 29.700 -0.255 0.000 0.736 297 E HN 0.595 8.955 8.360 0.000 0.000 0.460 298 D N -0.752 119.508 120.400 -0.234 0.000 2.075 298 D HA -0.145 4.494 4.640 -0.002 0.000 0.196 298 D C 2.053 178.297 176.300 -0.093 0.000 0.985 298 D CA 1.273 55.206 54.000 -0.111 0.000 0.834 298 D CB -0.414 40.376 40.800 -0.016 0.000 0.987 298 D HN 0.251 8.621 8.370 0.000 0.000 0.452 299 M N 0.564 120.119 119.600 -0.074 0.000 2.089 299 M HA -0.237 4.242 4.480 -0.002 0.000 0.257 299 M C 2.228 178.484 176.300 -0.073 0.000 1.071 299 M CA 1.519 56.802 55.300 -0.030 0.000 1.096 299 M CB -0.387 32.243 32.600 0.050 0.000 1.330 299 M HN -0.049 8.241 8.290 0.000 0.000 0.403 300 K N -0.284 119.968 120.400 -0.246 0.000 2.113 300 K HA -0.219 4.100 4.320 -0.002 0.000 0.208 300 K C 1.620 178.189 176.600 -0.051 0.000 1.047 300 K CA 1.723 57.869 56.287 -0.235 0.000 0.928 300 K CB -0.191 31.948 32.500 -0.602 0.000 0.716 300 K HN 0.535 8.785 8.250 0.000 0.000 0.446 301 H N -0.038 118.968 119.070 -0.107 0.000 2.389 301 H HA -0.076 4.479 4.556 -0.001 0.000 0.299 301 H C 2.187 177.516 175.328 0.002 0.000 1.081 301 H CA 1.482 57.504 56.048 -0.043 0.000 1.345 301 H CB -0.016 29.727 29.762 -0.032 0.000 1.393 301 H HN 0.389 8.669 8.280 0.000 0.000 0.520 302 I N -2.154 118.492 120.570 0.127 0.000 2.480 302 I HA -0.085 4.084 4.170 -0.002 0.000 0.251 302 I C 2.046 178.179 176.117 0.028 0.000 1.124 302 I CA 0.502 61.856 61.300 0.089 0.000 1.444 302 I CB -0.405 37.622 38.000 0.045 0.000 1.098 302 I HN -0.043 8.167 8.210 0.000 0.000 0.428 303 V N 1.949 121.863 119.914 -0.001 0.000 2.324 303 V HA -0.303 3.816 4.120 -0.002 0.000 0.250 303 V C 2.721 178.859 176.094 0.073 0.000 1.060 303 V CA 2.244 64.552 62.300 0.013 0.000 1.042 303 V CB -0.818 31.055 31.823 0.084 0.000 0.650 303 V HN 0.394 8.584 8.190 0.000 0.000 0.450 304 K N -0.349 120.101 120.400 0.082 0.000 2.209 304 K HA -0.129 4.190 4.320 -0.002 0.000 0.204 304 K C 2.117 178.770 176.600 0.087 0.000 1.048 304 K CA 1.008 57.343 56.287 0.079 0.000 0.940 304 K CB -0.242 32.304 32.500 0.076 0.000 0.729 304 K HN 0.150 8.400 8.250 0.000 0.000 0.451 305 R N -1.100 119.482 120.500 0.137 0.000 2.193 305 R HA 0.104 4.443 4.340 -0.002 0.000 0.213 305 R C 0.785 177.198 176.300 0.188 0.000 1.055 305 R CA 0.651 56.850 56.100 0.165 0.000 0.995 305 R CB -0.191 30.248 30.300 0.233 0.000 0.893 305 R HN 0.094 8.364 8.270 0.000 0.000 0.459 306 F N -0.304 119.571 119.950 -0.126 0.000 2.692 306 F HA 0.198 4.726 4.527 0.002 0.000 0.303 306 F C 2.007 177.691 175.800 -0.193 0.000 1.114 306 F CA -0.117 57.747 58.000 -0.226 0.000 1.361 306 F CB -0.328 38.500 39.000 -0.287 0.000 1.063 306 F HN -0.043 8.257 8.300 0.000 0.000 0.550 307 S N 0.010 115.721 115.700 0.018 0.000 2.399 307 S HA -0.157 4.312 4.470 -0.002 0.000 0.231 307 S C 2.125 176.669 174.600 -0.094 0.000 1.022 307 S CA 1.773 59.956 58.200 -0.028 0.000 0.983 307 S CB -0.309 62.886 63.200 -0.008 0.000 0.803 307 S HN 0.374 8.684 8.310 0.000 0.000 0.480 308 S N 0.676 116.294 115.700 -0.137 0.000 2.650 308 S HA 0.265 4.734 4.470 -0.002 0.000 0.219 308 S C 0.291 174.721 174.600 -0.284 0.000 0.960 308 S CA 0.016 58.111 58.200 -0.175 0.000 0.925 308 S CB -0.230 62.878 63.200 -0.154 0.000 0.775 308 S HN 0.708 9.018 8.310 0.000 0.000 0.525 309 V N -1.114 118.579 119.914 -0.368 0.000 2.577 309 V HA 0.642 4.760 4.120 -0.002 0.000 0.303 309 V C -2.959 172.863 176.094 -0.453 0.000 1.042 309 V CA -2.783 59.158 62.300 -0.599 0.000 0.872 309 V CB 1.685 32.977 31.823 -0.886 0.000 0.998 309 V HN -0.008 8.182 8.190 0.000 0.000 0.423 310 P HA 0.222 4.642 4.420 0.000 0.000 0.266 310 P C -0.716 176.521 177.300 -0.105 0.000 1.193 310 P CA 0.220 63.188 63.100 -0.219 0.000 0.770 310 P CB 1.293 32.900 31.700 -0.156 0.000 0.836 311 V N 2.799 122.673 119.914 -0.066 0.000 2.697 311 V HA 0.112 4.231 4.120 -0.002 0.000 0.300 311 V C 0.692 176.682 176.094 -0.173 0.000 1.115 311 V CA -0.485 61.785 62.300 -0.050 0.000 0.912 311 V CB 1.553 33.336 31.823 -0.068 0.000 1.024 311 V HN 0.386 8.576 8.190 0.000 0.000 0.431 312 N N 1.716 120.278 118.700 -0.229 0.000 2.220 312 N HA 0.080 4.819 4.740 -0.002 0.000 0.182 312 N C 0.572 175.794 175.510 -0.479 0.000 1.023 312 N CA 0.944 53.803 53.050 -0.317 0.000 0.856 312 N CB 0.189 38.482 38.487 -0.323 0.000 0.997 312 N HN 0.660 9.040 8.380 0.000 0.000 0.429 313 Q N -1.453 117.911 119.800 -0.727 0.000 2.687 313 Q HA 0.330 4.669 4.340 -0.002 0.000 0.305 313 Q C -1.374 174.254 176.000 -0.619 0.000 1.006 313 Q CA -0.611 54.775 55.803 -0.695 0.000 0.763 313 Q CB 1.324 29.573 28.738 -0.814 0.000 1.506 313 Q HN 0.102 8.372 8.270 0.000 0.000 0.459 314 Y N 0.113 120.186 120.300 -0.380 0.000 2.420 314 Y HA 0.555 5.104 4.550 -0.001 0.000 0.334 314 Y C -0.038 175.693 175.900 -0.281 0.000 1.094 314 Y CA -0.602 57.268 58.100 -0.382 0.000 1.126 314 Y CB 1.327 39.557 38.460 -0.384 0.000 1.217 314 Y HN 0.332 8.612 8.280 0.000 0.000 0.462 315 I N 4.067 124.540 120.570 -0.162 0.000 2.468 315 I HA 0.255 4.424 4.170 -0.002 0.000 0.284 315 I C -1.512 174.421 176.117 -0.307 0.000 1.038 315 I CA -0.502 60.765 61.300 -0.055 0.000 1.083 315 I CB 1.088 39.127 38.000 0.065 0.000 1.223 315 I HN 0.345 8.555 8.210 0.000 0.000 0.443 316 F N 4.089 124.049 119.950 0.018 0.000 2.411 316 F HA 0.431 4.957 4.527 -0.001 0.000 0.352 316 F C 0.907 176.712 175.800 0.007 0.000 1.123 316 F CA -0.553 57.434 58.000 -0.023 0.000 1.044 316 F CB 1.957 40.892 39.000 -0.108 0.000 1.135 316 F HN 0.374 8.674 8.300 0.000 0.000 0.461 317 T N -0.863 113.781 114.554 0.151 0.000 2.936 317 T HA 0.446 4.795 4.350 -0.002 0.000 0.282 317 T C 0.032 174.795 174.700 0.105 0.000 1.003 317 T CA -0.870 61.290 62.100 0.100 0.000 1.005 317 T CB 1.407 70.302 68.868 0.046 0.000 1.097 317 T HN 0.664 8.904 8.240 0.000 0.000 0.532 318 K N 0.128 120.574 120.400 0.077 0.000 3.160 318 K HA -0.166 4.153 4.320 -0.002 0.000 0.280 318 K C 1.270 177.914 176.600 0.074 0.000 1.154 318 K CA 0.824 57.152 56.287 0.067 0.000 0.822 318 K CB -1.983 30.553 32.500 0.060 0.000 1.239 318 K HN 0.792 9.042 8.250 0.000 0.000 0.489 319 I N -1.123 119.499 120.570 0.087 0.000 2.657 319 I HA -0.227 3.942 4.170 -0.002 0.000 0.261 319 I C 1.825 177.983 176.117 0.068 0.000 1.212 319 I CA 1.905 63.257 61.300 0.086 0.000 1.453 319 I CB -0.330 37.732 38.000 0.103 0.000 1.092 319 I HN 0.205 8.415 8.210 0.000 0.000 0.452 320 D N 1.104 121.539 120.400 0.059 0.000 2.323 320 D HA -0.150 4.488 4.640 -0.002 0.000 0.209 320 D C 1.502 177.826 176.300 0.040 0.000 0.973 320 D CA 0.657 54.685 54.000 0.047 0.000 0.874 320 D CB -0.179 40.646 40.800 0.043 0.000 0.930 320 D HN 0.612 8.982 8.370 0.000 0.000 0.521 321 E N 0.089 120.315 120.200 0.042 0.000 2.415 321 E HA 0.023 4.371 4.350 -0.002 0.000 0.197 321 E C 0.828 177.450 176.600 0.037 0.000 1.007 321 E CA -0.036 56.386 56.400 0.036 0.000 0.890 321 E CB 0.464 30.186 29.700 0.037 0.000 0.891 321 E HN 0.080 8.440 8.360 0.000 0.000 0.496 322 T N -0.714 113.866 114.554 0.044 0.000 2.680 322 T HA -0.024 4.325 4.350 -0.002 0.000 0.314 322 T C 1.073 175.792 174.700 0.031 0.000 1.045 322 T CA 0.688 62.812 62.100 0.041 0.000 1.025 322 T CB 0.992 69.890 68.868 0.050 0.000 1.000 322 T HN -0.020 8.220 8.240 0.000 0.000 0.535 323 T N -0.251 114.318 114.554 0.025 0.000 3.010 323 T HA 0.329 4.678 4.350 -0.002 0.000 0.252 323 T C 0.280 174.986 174.700 0.010 0.000 0.963 323 T CA 0.433 62.542 62.100 0.016 0.000 0.952 323 T CB -0.020 68.856 68.868 0.012 0.000 1.182 323 T HN 0.713 8.953 8.240 0.000 0.000 0.495 324 S N -0.460 115.247 115.700 0.012 0.000 2.651 324 S HA 0.670 5.139 4.470 -0.002 0.000 0.279 324 S C -0.912 173.699 174.600 0.019 0.000 1.148 324 S CA -0.656 57.545 58.200 0.001 0.000 0.837 324 S CB 1.426 64.617 63.200 -0.015 0.000 1.138 324 S HN 0.021 8.331 8.310 0.000 0.000 0.478 325 L N 1.496 122.729 121.223 0.016 0.000 3.184 325 L HA 0.458 4.797 4.340 -0.002 0.000 0.283 325 L C 2.034 178.952 176.870 0.080 0.000 1.218 325 L CA 0.508 55.391 54.840 0.072 0.000 1.028 325 L CB 0.246 42.404 42.059 0.164 0.000 1.400 325 L HN 0.994 9.224 8.230 0.000 0.000 0.591 326 G N -0.308 108.493 108.800 0.002 0.000 2.448 326 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.219 326 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.219 326 G C 1.644 176.555 174.900 0.018 0.000 1.127 326 G CA 1.150 46.236 45.100 -0.023 0.000 0.766 326 G HN 0.483 8.773 8.290 0.000 0.000 0.552 327 S N 0.208 115.916 115.700 0.014 0.000 2.402 327 S HA -0.064 4.405 4.470 -0.002 0.000 0.229 327 S C 2.195 176.800 174.600 0.007 0.000 1.021 327 S CA 1.258 59.476 58.200 0.031 0.000 0.974 327 S CB -0.251 62.991 63.200 0.070 0.000 0.800 327 S HN 0.116 8.426 8.310 0.000 0.000 0.484 328 V N 0.938 120.819 119.914 -0.056 0.000 2.407 328 V HA 0.007 4.126 4.120 -0.002 0.000 0.245 328 V C 2.044 178.053 176.094 -0.141 0.000 1.041 328 V CA 1.517 63.605 62.300 -0.352 0.000 1.040 328 V CB -1.029 30.446 31.823 -0.579 0.000 0.671 328 V HN 0.500 8.690 8.190 0.000 0.000 0.455 329 F N 2.269 122.257 119.950 0.064 0.000 2.069 329 F HA -0.222 4.304 4.527 -0.002 0.000 0.298 329 F C 2.386 178.179 175.800 -0.012 0.000 1.113 329 F CA 2.032 60.125 58.000 0.154 0.000 1.214 329 F CB -0.561 38.474 39.000 0.058 0.000 0.978 329 F HN 0.172 8.472 8.300 0.000 0.000 0.474 330 N N 0.856 119.697 118.700 0.236 0.000 2.192 330 N HA -0.212 4.527 4.740 -0.002 0.000 0.188 330 N C 2.004 177.508 175.510 -0.011 0.000 1.013 330 N CA 1.673 54.701 53.050 -0.037 0.000 0.863 330 N CB -0.302 37.782 38.487 -0.671 0.000 0.990 330 N HN 0.316 8.696 8.380 0.000 0.000 0.430 331 I N 1.392 121.982 120.570 0.034 0.000 2.163 331 I HA -0.167 4.002 4.170 -0.002 0.000 0.240 331 I C 2.386 178.481 176.117 -0.038 0.000 1.081 331 I CA 0.782 62.129 61.300 0.078 0.000 1.353 331 I CB -1.000 37.005 38.000 0.008 0.000 1.054 331 I HN 0.077 8.287 8.210 0.000 0.000 0.407 332 L N 0.684 121.797 121.223 -0.184 0.000 2.017 332 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 332 L C 2.821 179.643 176.870 -0.081 0.000 1.073 332 L CA 1.379 56.136 54.840 -0.139 0.000 0.745 332 L CB -0.796 41.150 42.059 -0.188 0.000 0.894 332 L HN 0.186 8.416 8.230 0.000 0.000 0.432 333 A N 0.667 123.344 122.820 -0.237 0.000 2.009 333 A HA -0.241 4.078 4.320 -0.002 0.000 0.222 333 A C 1.568 179.132 177.584 -0.033 0.000 1.175 333 A CA 2.169 54.065 52.037 -0.234 0.000 0.651 333 A CB -0.679 18.151 19.000 -0.282 0.000 0.815 333 A HN 0.692 8.842 8.150 0.000 0.000 0.459 334 E N -0.717 119.499 120.200 0.027 0.000 2.830 334 E HA 0.499 4.848 4.350 -0.002 0.000 0.225 334 E C -0.654 176.001 176.600 0.092 0.000 1.109 334 E CA -0.263 56.181 56.400 0.073 0.000 1.392 334 E CB 0.209 29.976 29.700 0.112 0.000 1.349 334 E HN 0.202 8.562 8.360 0.000 0.000 0.433 335 S N 0.101 115.855 115.700 0.090 0.000 2.588 335 S HA 0.262 4.731 4.470 -0.002 0.000 0.275 335 S C 0.119 174.776 174.600 0.095 0.000 1.130 335 S CA -0.868 57.403 58.200 0.118 0.000 0.855 335 S CB 1.924 65.256 63.200 0.220 0.000 1.116 335 S HN 0.015 8.325 8.310 0.000 0.000 0.472 336 K N 1.223 121.663 120.400 0.067 0.000 2.031 336 K HA 0.142 4.460 4.320 -0.002 0.000 0.205 336 K C 1.057 177.685 176.600 0.046 0.000 1.049 336 K CA 0.983 57.296 56.287 0.044 0.000 0.939 336 K CB -0.384 32.123 32.500 0.011 0.000 0.717 336 K HN 0.719 8.969 8.250 0.000 0.000 0.438 337 I N -2.376 118.199 120.570 0.008 0.000 2.970 337 I HA 0.446 4.615 4.170 -0.002 0.000 0.310 337 I C 0.673 176.764 176.117 -0.044 0.000 1.010 337 I CA -0.704 60.562 61.300 -0.056 0.000 1.228 337 I CB 1.312 39.182 38.000 -0.217 0.000 1.433 337 I HN 0.029 8.239 8.210 0.000 0.000 0.573 338 G N 1.820 110.449 108.800 -0.285 0.000 2.990 338 G HA2 0.603 4.562 3.960 -0.002 0.000 0.208 338 G HA3 0.603 4.562 3.960 -0.002 0.000 0.208 338 G C -0.594 173.818 174.900 -0.813 0.000 1.334 338 G CA -0.265 44.244 45.100 -0.984 0.000 1.024 338 G HN 0.938 9.228 8.290 0.000 0.000 0.574 339 V N -1.370 117.778 119.914 -1.276 0.000 2.459 339 V HA 0.772 4.890 4.120 -0.002 0.000 0.295 339 V C 0.991 176.875 176.094 -0.349 0.000 1.029 339 V CA 0.231 62.196 62.300 -0.557 0.000 0.874 339 V CB 0.865 32.402 31.823 -0.476 0.000 0.985 339 V HN 0.942 9.132 8.190 0.000 0.000 0.438 340 G N 4.058 112.727 108.800 -0.218 0.000 2.605 340 G HA2 0.192 4.151 3.960 -0.002 0.000 0.215 340 G HA3 0.192 4.151 3.960 -0.002 0.000 0.215 340 G C 0.080 174.718 174.900 -0.436 0.000 1.279 340 G CA 0.572 45.508 45.100 -0.274 0.000 0.831 340 G HN 0.603 8.893 8.290 0.000 0.000 0.560 341 F N -1.292 118.719 119.950 0.102 0.000 2.613 341 F HA 0.794 5.320 4.527 -0.002 0.000 0.342 341 F C 0.214 176.051 175.800 0.062 0.000 1.066 341 F CA -1.024 57.023 58.000 0.077 0.000 1.002 341 F CB 1.767 40.805 39.000 0.063 0.000 1.319 341 F HN -0.123 8.177 8.300 0.000 0.000 0.495 342 M N 1.306 121.066 119.600 0.267 0.000 2.215 342 M HA 0.221 4.700 4.480 -0.002 0.000 0.251 342 M C -0.781 175.606 176.300 0.146 0.000 0.987 342 M CA -0.587 54.822 55.300 0.182 0.000 1.025 342 M CB 2.127 34.818 32.600 0.150 0.000 2.064 342 M HN 0.765 9.055 8.290 0.000 0.000 0.473 343 T N -0.817 113.802 114.554 0.109 0.000 2.856 343 T HA 0.318 4.667 4.350 -0.002 0.000 0.306 343 T C 0.537 175.281 174.700 0.073 0.000 1.062 343 T CA -0.227 61.914 62.100 0.068 0.000 1.083 343 T CB 0.477 69.363 68.868 0.029 0.000 0.984 343 T HN 0.850 9.090 8.240 0.000 0.000 0.542 344 N N -0.142 118.593 118.700 0.058 0.000 2.261 344 N HA 0.329 5.068 4.740 -0.002 0.000 0.241 344 N C 0.182 175.718 175.510 0.044 0.000 1.374 344 N CA -0.611 52.474 53.050 0.058 0.000 0.802 344 N CB 0.840 39.367 38.487 0.066 0.000 1.339 344 N HN 1.014 9.394 8.380 0.000 0.000 0.498 345 G N 0.373 109.194 108.800 0.035 0.000 2.328 345 G HA2 0.138 4.097 3.960 -0.002 0.000 0.295 345 G HA3 0.138 4.097 3.960 -0.002 0.000 0.295 345 G C -0.455 174.457 174.900 0.020 0.000 1.413 345 G CA -0.490 44.626 45.100 0.027 0.000 0.817 345 G HN -0.010 8.280 8.290 0.000 0.000 0.546 346 Q N -0.387 119.424 119.800 0.019 0.000 2.204 346 Q HA 0.066 4.405 4.340 -0.002 0.000 0.198 346 Q C 0.670 176.683 176.000 0.022 0.000 0.946 346 Q CA 0.211 56.025 55.803 0.019 0.000 0.859 346 Q CB 0.185 28.935 28.738 0.020 0.000 0.946 346 Q HN 0.587 8.857 8.270 0.000 0.000 0.474 347 N N 1.691 120.403 118.700 0.020 0.000 2.301 347 N HA -0.001 4.738 4.740 -0.002 0.000 0.267 347 N C -1.173 174.349 175.510 0.021 0.000 1.304 347 N CA -0.324 52.738 53.050 0.021 0.000 0.851 347 N CB 0.580 39.078 38.487 0.018 0.000 1.070 347 N HN -0.062 8.318 8.380 0.000 0.000 0.483 348 V N 4.659 124.591 119.914 0.030 0.000 2.435 348 V HA 0.300 4.419 4.120 -0.002 0.000 0.290 348 V C -1.316 174.794 176.094 0.027 0.000 1.030 348 V CA -1.035 61.284 62.300 0.032 0.000 0.881 348 V CB 1.737 33.610 31.823 0.083 0.000 0.983 348 V HN 0.711 8.901 8.190 0.000 0.000 0.445 349 P HA 0.271 4.691 4.420 0.000 0.000 0.269 349 P C 0.433 177.732 177.300 -0.003 0.000 1.478 349 P CA -0.123 62.973 63.100 -0.008 0.000 1.045 349 P CB 0.981 32.668 31.700 -0.022 0.000 1.512 350 E N 0.937 121.142 120.200 0.010 0.000 2.012 350 E HA -0.123 4.225 4.350 -0.002 0.000 0.197 350 E C 0.490 177.104 176.600 0.022 0.000 1.007 350 E CA 1.264 57.674 56.400 0.017 0.000 0.816 350 E CB -0.833 28.878 29.700 0.019 0.000 0.762 350 E HN 0.233 8.593 8.360 0.000 0.000 0.451 351 D N 0.851 121.263 120.400 0.021 0.000 2.479 351 D HA 0.126 4.765 4.640 -0.002 0.000 0.253 351 D C -0.110 176.207 176.300 0.029 0.000 1.278 351 D CA 0.648 54.664 54.000 0.027 0.000 1.145 351 D CB -0.392 40.423 40.800 0.025 0.000 1.118 351 D HN 0.135 8.505 8.370 0.000 0.000 0.513 352 I N 0.979 121.577 120.570 0.046 0.000 2.718 352 I HA 0.077 4.245 4.170 -0.002 0.000 0.287 352 I C -1.585 174.597 176.117 0.107 0.000 1.645 352 I CA -0.443 60.898 61.300 0.068 0.000 1.030 352 I CB 1.356 39.373 38.000 0.030 0.000 1.470 352 I HN 0.201 8.411 8.210 0.000 0.000 0.455 353 Q N 4.632 124.520 119.800 0.146 0.000 3.177 353 Q HA 0.751 5.090 4.340 -0.002 0.000 0.339 353 Q C -1.482 174.622 176.000 0.173 0.000 0.912 353 Q CA -0.711 55.180 55.803 0.146 0.000 0.818 353 Q CB 2.528 31.331 28.738 0.109 0.000 1.448 353 Q HN 0.542 8.812 8.270 0.000 0.000 0.489 354 T N -0.221 114.395 114.554 0.104 0.000 2.923 354 T HA 0.639 4.988 4.350 -0.002 0.000 0.311 354 T C -1.553 173.185 174.700 0.063 0.000 1.183 354 T CA -0.031 62.085 62.100 0.027 0.000 1.020 354 T CB 1.755 70.580 68.868 -0.072 0.000 1.165 354 T HN 1.030 9.270 8.240 0.000 0.000 0.482 355 V N 0.932 120.899 119.914 0.089 0.000 3.159 355 V HA 1.003 5.122 4.120 -0.002 0.000 0.308 355 V C -0.485 175.777 176.094 0.280 0.000 1.190 355 V CA -0.732 61.673 62.300 0.176 0.000 1.037 355 V CB 1.616 33.585 31.823 0.243 0.000 1.060 355 V HN 1.179 9.369 8.190 0.000 0.000 0.437 356 S N 0.324 116.159 115.700 0.225 0.000 2.568 356 S HA 0.757 5.225 4.470 -0.002 0.000 0.302 356 S C -2.109 172.412 174.600 -0.131 0.000 1.082 356 S CA -1.480 56.787 58.200 0.113 0.000 1.009 356 S CB 1.696 64.896 63.200 0.000 0.000 1.069 356 S HN 0.612 8.922 8.310 0.000 0.000 0.500 357 P HA -0.230 4.190 4.420 0.000 0.000 0.209 357 P C 1.752 178.864 177.300 -0.313 0.000 1.080 357 P CA 1.011 63.498 63.100 -1.021 0.000 0.971 357 P CB -0.114 30.964 31.700 -1.036 0.000 0.768 358 L N -0.696 120.387 121.223 -0.234 0.000 2.137 358 L HA -0.129 4.210 4.340 -0.002 0.000 0.213 358 L C 2.088 178.925 176.870 -0.055 0.000 1.085 358 L CA 2.539 57.308 54.840 -0.119 0.000 0.760 358 L CB -1.675 40.323 42.059 -0.101 0.000 0.893 358 L HN 0.028 8.258 8.230 0.000 0.000 0.434 359 G N -1.309 107.484 108.800 -0.013 0.000 2.394 359 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.215 359 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.215 359 G C 1.438 176.410 174.900 0.120 0.000 1.165 359 G CA 0.697 45.826 45.100 0.049 0.000 0.784 359 G HN 0.491 8.781 8.290 0.000 0.000 0.535 360 F N 1.995 121.968 119.950 0.039 0.000 2.051 360 F HA -0.073 4.453 4.527 -0.001 0.000 0.296 360 F C 2.564 178.408 175.800 0.074 0.000 1.122 360 F CA 1.267 59.333 58.000 0.109 0.000 1.201 360 F CB -0.733 38.426 39.000 0.264 0.000 0.978 360 F HN -0.017 8.283 8.300 0.000 0.000 0.472 361 V N 1.128 120.860 119.914 -0.302 0.000 2.764 361 V HA -0.312 3.807 4.120 -0.002 0.000 0.261 361 V C 2.533 178.475 176.094 -0.254 0.000 1.108 361 V CA 2.175 64.256 62.300 -0.365 0.000 1.129 361 V CB -0.968 30.774 31.823 -0.134 0.000 0.701 361 V HN 0.348 8.538 8.190 0.000 0.000 0.495 362 R N -1.247 119.163 120.500 -0.150 0.000 2.173 362 R HA 0.148 4.487 4.340 -0.002 0.000 0.208 362 R C 2.236 178.486 176.300 -0.084 0.000 1.035 362 R CA 0.739 56.783 56.100 -0.094 0.000 1.004 362 R CB -0.081 30.193 30.300 -0.042 0.000 0.917 362 R HN 0.463 8.733 8.270 0.000 0.000 0.462 363 M N 0.181 119.735 119.600 -0.077 0.000 2.236 363 M HA -0.081 4.398 4.480 -0.002 0.000 0.266 363 M C 2.172 178.416 176.300 -0.094 0.000 1.070 363 M CA 1.092 56.375 55.300 -0.029 0.000 1.137 363 M CB -0.124 32.523 32.600 0.078 0.000 1.378 363 M HN 0.178 8.468 8.290 0.000 0.000 0.426 364 L N 0.419 121.498 121.223 -0.240 0.000 2.021 364 L HA -0.243 4.096 4.340 -0.002 0.000 0.215 364 L C 0.904 177.667 176.870 -0.177 0.000 1.074 364 L CA 1.069 55.744 54.840 -0.276 0.000 0.760 364 L CB -0.212 41.554 42.059 -0.489 0.000 0.889 364 L HN 0.345 8.575 8.230 0.000 0.000 0.433 365 C N 2.800 122.002 119.300 -0.163 0.000 3.333 365 C HA 0.036 4.495 4.460 -0.002 0.000 0.442 365 C C 1.152 176.092 174.990 -0.084 0.000 1.075 365 C CA -0.901 58.044 59.018 -0.122 0.000 1.098 365 C CB -2.670 25.007 27.740 -0.105 0.000 1.594 365 C HN 0.397 8.627 8.230 0.000 0.000 0.595 366 R N 0.000 120.453 120.500 -0.079 0.000 2.786 366 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 366 R CA 0.000 56.069 56.100 -0.051 0.000 0.921 366 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 366 R HN 0.000 8.270 8.270 0.000 0.000 0.535