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 1ie8_1_A DATA FIRST_RESID 120 DATA SEQUENCE LRPKLSEEQQ RIIAILLDAH HKTYDPTYSD FCQFRPPVRV NDGGGXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXSVTL DATA SEQUENCE ELSQLSMLPH LADLVSYSIQ KVIGFAKMIP GFRDLTSEDQ IVLLKSSAIE DATA SEQUENCE VIMLRSNESF TMDDMSWTCG NQDYKYRVSD VTKAGHSLEL IEPLIKFQVG DATA SEQUENCE LKKLNLHEEE HVLLMAICIV SPDRPGVQDA ALIEAIQDRL SNTLQTYIRC DATA SEQUENCE RHPPPXXXLL YAKMIQKLAD LRSLNEEHSK QYRCLSFQPE CSMKLTPLVL DATA SEQUENCE EVFG 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 120 L HA 0.000 4.340 4.340 0.000 0.000 0.249 120 L C 0.000 176.858 176.870 -0.020 0.000 1.165 120 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 120 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 121 R N 4.928 125.417 120.500 -0.019 0.000 2.587 121 R HA 0.483 4.826 4.340 0.004 0.000 0.283 121 R C -2.283 174.004 176.300 -0.022 0.000 1.472 121 R CA -1.423 54.662 56.100 -0.024 0.000 1.578 121 R CB 0.671 30.956 30.300 -0.025 0.000 1.130 121 R HN 0.379 8.649 8.270 0.000 0.000 0.602 122 P HA 0.049 4.469 4.420 0.000 0.000 0.269 122 P C -0.626 176.665 177.300 -0.015 0.000 1.209 122 P CA -0.157 62.934 63.100 -0.016 0.000 0.776 122 P CB 1.076 32.767 31.700 -0.015 0.000 0.876 123 K N 1.419 121.813 120.400 -0.010 0.000 2.168 123 K HA 0.283 4.605 4.320 0.004 0.000 0.258 123 K C 0.354 176.956 176.600 0.004 0.000 1.010 123 K CA -0.717 55.567 56.287 -0.006 0.000 0.929 123 K CB 0.272 32.770 32.500 -0.002 0.000 0.998 123 K HN 0.388 8.638 8.250 0.000 0.000 0.479 124 L N 2.137 123.369 121.223 0.015 0.000 2.455 124 L HA -0.005 4.337 4.340 0.004 0.000 0.272 124 L C 0.834 177.720 176.870 0.028 0.000 1.174 124 L CA -0.162 54.699 54.840 0.034 0.000 0.869 124 L CB 0.550 42.648 42.059 0.065 0.000 1.130 124 L HN 0.768 8.998 8.230 0.000 0.000 0.474 125 S N 1.011 116.726 115.700 0.024 0.000 2.600 125 S HA 0.023 4.495 4.470 0.004 0.000 0.265 125 S C 0.917 175.531 174.600 0.024 0.000 1.325 125 S CA -0.452 57.759 58.200 0.019 0.000 1.002 125 S CB 1.286 64.494 63.200 0.014 0.000 0.921 125 S HN 0.690 9.000 8.310 0.000 0.000 0.554 126 E N 0.640 120.852 120.200 0.019 0.000 2.118 126 E HA -0.234 4.118 4.350 0.004 0.000 0.195 126 E C 1.857 178.470 176.600 0.021 0.000 0.992 126 E CA 2.027 58.440 56.400 0.021 0.000 0.804 126 E CB -0.341 29.368 29.700 0.016 0.000 0.741 126 E HN 0.854 9.214 8.360 0.000 0.000 0.458 127 E N -0.201 120.010 120.200 0.018 0.000 2.072 127 E HA -0.249 4.104 4.350 0.004 0.000 0.191 127 E C 2.091 178.703 176.600 0.021 0.000 0.985 127 E CA 1.234 57.643 56.400 0.016 0.000 0.801 127 E CB -0.080 29.627 29.700 0.012 0.000 0.750 127 E HN 0.429 8.789 8.360 0.000 0.000 0.452 128 Q N 0.041 119.857 119.800 0.027 0.000 2.124 128 Q HA -0.183 4.159 4.340 0.004 0.000 0.202 128 Q C 2.294 178.323 176.000 0.049 0.000 0.977 128 Q CA 1.362 57.187 55.803 0.037 0.000 0.850 128 Q CB -0.038 28.727 28.738 0.045 0.000 0.901 128 Q HN 0.393 8.663 8.270 0.000 0.000 0.429 129 Q N 0.279 120.109 119.800 0.051 0.000 2.124 129 Q HA -0.172 4.170 4.340 0.004 0.000 0.202 129 Q C 2.120 178.146 176.000 0.044 0.000 0.977 129 Q CA 1.094 56.933 55.803 0.060 0.000 0.850 129 Q CB -0.078 28.693 28.738 0.054 0.000 0.901 129 Q HN 0.235 8.505 8.270 0.000 0.000 0.429 130 R N 0.652 121.170 120.500 0.030 0.000 2.075 130 R HA -0.108 4.234 4.340 0.004 0.000 0.232 130 R C 2.105 178.412 176.300 0.011 0.000 1.126 130 R CA 1.029 57.141 56.100 0.020 0.000 0.963 130 R CB -0.149 30.160 30.300 0.014 0.000 0.858 130 R HN 0.210 8.480 8.270 0.000 0.000 0.435 131 I N 0.826 121.402 120.570 0.010 0.000 2.163 131 I HA -0.307 3.866 4.170 0.004 0.000 0.243 131 I C 1.903 178.015 176.117 -0.008 0.000 1.085 131 I CA 0.899 62.197 61.300 -0.004 0.000 1.347 131 I CB -0.226 37.775 38.000 0.001 0.000 1.044 131 I HN 0.214 8.424 8.210 0.000 0.000 0.408 132 I N 1.074 121.648 120.570 0.007 0.000 2.226 132 I HA -0.246 3.927 4.170 0.004 0.000 0.245 132 I C 2.827 178.945 176.117 0.002 0.000 1.100 132 I CA 1.679 62.977 61.300 -0.002 0.000 1.374 132 I CB -1.765 36.246 38.000 0.018 0.000 1.057 132 I HN 0.167 8.377 8.210 0.000 0.000 0.413 133 A N 0.683 123.514 122.820 0.018 0.000 1.933 133 A HA -0.148 4.174 4.320 0.004 0.000 0.218 133 A C 2.420 180.007 177.584 0.006 0.000 1.175 133 A CA 1.335 53.385 52.037 0.023 0.000 0.628 133 A CB -0.742 18.277 19.000 0.033 0.000 0.814 133 A HN 0.378 8.528 8.150 0.000 0.000 0.444 134 I N -0.408 120.158 120.570 -0.008 0.000 2.252 134 I HA -0.239 3.933 4.170 0.004 0.000 0.245 134 I C 2.301 178.391 176.117 -0.045 0.000 1.102 134 I CA 1.057 62.341 61.300 -0.027 0.000 1.385 134 I CB -0.231 37.744 38.000 -0.041 0.000 1.064 134 I HN 0.297 8.507 8.210 0.000 0.000 0.414 135 L N -0.059 121.138 121.223 -0.043 0.000 2.093 135 L HA -0.186 4.157 4.340 0.004 0.000 0.208 135 L C 2.475 179.377 176.870 0.053 0.000 1.085 135 L CA 1.069 55.903 54.840 -0.010 0.000 0.755 135 L CB -0.434 41.630 42.059 0.009 0.000 0.904 135 L HN 0.264 8.494 8.230 0.000 0.000 0.435 136 L N -0.218 120.982 121.223 -0.039 0.000 2.046 136 L HA -0.244 4.098 4.340 0.004 0.000 0.208 136 L C 2.251 178.917 176.870 -0.341 0.000 1.077 136 L CA 1.530 56.248 54.840 -0.204 0.000 0.747 136 L CB -0.495 41.492 42.059 -0.122 0.000 0.896 136 L HN 0.303 8.533 8.230 0.000 0.000 0.432 137 D N -0.034 120.312 120.400 -0.090 0.000 2.117 137 D HA -0.189 4.453 4.640 0.004 0.000 0.197 137 D C 2.149 178.475 176.300 0.045 0.000 0.987 137 D CA 1.381 55.387 54.000 0.009 0.000 0.829 137 D CB 0.139 40.961 40.800 0.037 0.000 0.961 137 D HN 0.247 8.617 8.370 0.000 0.000 0.460 138 A N -0.626 122.229 122.820 0.058 0.000 1.902 138 A HA -0.215 4.107 4.320 0.004 0.000 0.217 138 A C 2.168 179.948 177.584 0.327 0.000 1.181 138 A CA 2.048 54.165 52.037 0.133 0.000 0.623 138 A CB -1.163 17.822 19.000 -0.026 0.000 0.818 138 A HN 0.499 8.649 8.150 0.000 0.000 0.443 139 H N -0.698 118.512 119.070 0.233 0.000 2.353 139 H HA -0.123 4.435 4.556 0.004 0.000 0.300 139 H C 1.822 177.256 175.328 0.177 0.000 1.090 139 H CA 2.181 58.318 56.048 0.149 0.000 1.327 139 H CB -0.468 29.283 29.762 -0.019 0.000 1.383 139 H HN 0.762 9.042 8.280 0.000 0.000 0.508 140 H N -0.490 118.635 119.070 0.090 0.000 2.457 140 H HA -0.022 4.537 4.556 0.004 0.000 0.294 140 H C 1.794 177.125 175.328 0.005 0.000 1.064 140 H CA 0.858 56.907 56.048 0.003 0.000 1.330 140 H CB 0.318 30.110 29.762 0.050 0.000 1.395 140 H HN 0.308 8.588 8.280 0.000 0.000 0.541 141 K N 0.059 120.548 120.400 0.148 0.000 2.365 141 K HA -0.019 4.304 4.320 0.004 0.000 0.197 141 K C 1.518 178.158 176.600 0.068 0.000 1.042 141 K CA 1.411 57.754 56.287 0.093 0.000 0.987 141 K CB 0.495 33.044 32.500 0.081 0.000 0.779 141 K HN 0.333 8.583 8.250 0.000 0.000 0.484 142 T N -3.335 111.268 114.554 0.083 0.000 3.040 142 T HA 0.085 4.437 4.350 0.004 0.000 0.266 142 T C -0.385 174.353 174.700 0.063 0.000 1.005 142 T CA -0.423 61.718 62.100 0.068 0.000 0.906 142 T CB -0.001 68.949 68.868 0.137 0.000 1.082 142 T HN 0.033 8.273 8.240 0.000 0.000 0.531 143 Y N 2.349 122.570 120.300 -0.131 0.000 2.349 143 Y HA 0.516 5.069 4.550 0.005 0.000 0.324 143 Y C -1.300 174.530 175.900 -0.117 0.000 1.005 143 Y CA -1.883 56.139 58.100 -0.130 0.000 1.240 143 Y CB 1.224 39.436 38.460 -0.413 0.000 1.117 143 Y HN 0.045 8.325 8.280 0.000 0.000 0.463 144 D N 8.478 128.746 120.400 -0.221 0.000 2.365 144 D HA 0.207 4.850 4.640 0.004 0.000 0.237 144 D C -1.844 174.152 176.300 -0.507 0.000 1.190 144 D CA -2.451 51.408 54.000 -0.234 0.000 0.867 144 D CB 1.577 42.276 40.800 -0.167 0.000 1.050 144 D HN 0.345 8.715 8.370 0.000 0.000 0.491 145 P HA -0.070 4.350 4.420 0.000 0.000 0.242 145 P C 0.816 177.631 177.300 -0.809 0.000 1.197 145 P CA 0.716 63.559 63.100 -0.429 0.000 0.765 145 P CB 0.042 31.703 31.700 -0.065 0.000 0.936 146 T N -5.919 108.214 114.554 -0.702 0.000 3.022 146 T HA 0.015 4.368 4.350 0.004 0.000 0.250 146 T C 0.706 175.051 174.700 -0.591 0.000 1.060 146 T CA -0.241 61.552 62.100 -0.513 0.000 1.013 146 T CB -1.085 67.624 68.868 -0.265 0.000 0.982 146 T HN 0.026 8.266 8.240 0.000 0.000 0.508 147 Y N 1.742 121.762 120.300 -0.467 0.000 3.825 147 Y HA -0.291 4.261 4.550 0.004 0.000 0.221 147 Y C 1.834 177.244 175.900 -0.816 0.000 1.195 147 Y CA 0.283 57.770 58.100 -1.022 0.000 1.699 147 Y CB -2.890 34.773 38.460 -1.329 0.000 1.531 147 Y HN 0.544 8.824 8.280 0.000 0.000 0.640 148 S N -1.521 113.949 115.700 -0.384 0.000 2.469 148 S HA -0.151 4.321 4.470 0.004 0.000 0.238 148 S C 1.284 175.749 174.600 -0.225 0.000 0.998 148 S CA 1.331 59.380 58.200 -0.253 0.000 0.957 148 S CB 0.095 63.198 63.200 -0.162 0.000 0.764 148 S HN 0.521 8.831 8.310 0.000 0.000 0.514 149 D N 0.364 120.638 120.400 -0.210 0.000 2.348 149 D HA 0.166 4.808 4.640 0.004 0.000 0.211 149 D C 0.928 176.891 176.300 -0.561 0.000 0.998 149 D CA 0.191 54.055 54.000 -0.226 0.000 0.873 149 D CB -0.256 40.506 40.800 -0.064 0.000 0.925 149 D HN 0.354 8.724 8.370 0.000 0.000 0.524 150 F N 1.385 120.740 119.950 -0.992 0.000 2.269 150 F HA -0.142 4.387 4.527 0.003 0.000 0.301 150 F C 2.503 177.692 175.800 -1.017 0.000 1.082 150 F CA 0.066 57.198 58.000 -1.447 0.000 1.360 150 F CB -1.476 36.940 39.000 -0.973 0.000 1.041 150 F HN 0.152 8.452 8.300 0.000 0.000 0.512 151 C N -0.822 118.207 119.300 -0.451 0.000 2.449 151 C HA -0.079 4.383 4.460 0.004 0.000 0.283 151 C C 2.114 177.071 174.990 -0.055 0.000 1.453 151 C CA 0.120 59.089 59.018 -0.081 0.000 1.779 151 C CB -1.749 25.994 27.740 0.005 0.000 1.779 151 C HN 0.483 8.713 8.230 0.000 0.000 0.546 152 Q N 0.025 119.697 119.800 -0.214 0.000 2.389 152 Q HA 0.206 4.549 4.340 0.004 0.000 0.204 152 Q C 0.407 176.478 176.000 0.119 0.000 0.944 152 Q CA 0.331 56.103 55.803 -0.051 0.000 0.908 152 Q CB -0.015 28.694 28.738 -0.047 0.000 1.002 152 Q HN 0.779 9.049 8.270 0.000 0.000 0.493 153 F N 1.153 121.115 119.950 0.019 0.000 2.440 153 F HA 0.167 4.696 4.527 0.004 0.000 0.323 153 F C 1.072 176.941 175.800 0.114 0.000 1.192 153 F CA -1.089 56.906 58.000 -0.008 0.000 1.252 153 F CB 0.476 39.363 39.000 -0.189 0.000 1.214 153 F HN -0.139 8.161 8.300 0.000 0.000 0.578 154 R N 2.055 122.734 120.500 0.297 0.000 2.640 154 R HA 0.061 4.404 4.340 0.004 0.000 0.270 154 R C -2.277 174.238 176.300 0.357 0.000 1.024 154 R CA -1.275 54.965 56.100 0.233 0.000 1.085 154 R CB -0.179 30.206 30.300 0.142 0.000 0.963 154 R HN 0.234 8.504 8.270 0.000 0.000 0.426 155 P HA 0.030 4.450 4.420 0.000 0.000 0.268 155 P C -2.500 174.857 177.300 0.095 0.000 1.205 155 P CA -1.118 62.094 63.100 0.187 0.000 0.771 155 P CB 0.238 31.996 31.700 0.097 0.000 0.858 156 P HA 0.129 4.549 4.420 0.000 0.000 0.275 156 P C -0.701 176.564 177.300 -0.059 0.000 1.227 156 P CA 0.009 63.008 63.100 -0.168 0.000 0.781 156 P CB 0.674 32.134 31.700 -0.401 0.000 0.906 157 V N 4.819 124.728 119.914 -0.008 0.000 2.577 157 V HA 0.390 4.512 4.120 0.004 0.000 0.303 157 V C 0.277 176.373 176.094 0.004 0.000 1.042 157 V CA -0.613 61.685 62.300 -0.003 0.000 0.872 157 V CB 1.942 33.773 31.823 0.013 0.000 0.998 157 V HN 0.453 8.643 8.190 0.000 0.000 0.423 158 R N 3.167 123.664 120.500 -0.005 0.000 2.358 158 R HA 0.592 4.934 4.340 0.004 0.000 0.309 158 R C -0.416 175.887 176.300 0.005 0.000 1.026 158 R CA -0.453 55.651 56.100 0.006 0.000 0.909 158 R CB 1.884 32.184 30.300 0.000 0.000 1.153 158 R HN 0.691 8.961 8.270 0.000 0.000 0.515 159 V N -0.172 119.748 119.914 0.010 0.000 3.083 159 V HA 0.316 4.438 4.120 0.004 0.000 0.306 159 V C 0.307 176.407 176.094 0.009 0.000 1.077 159 V CA -1.106 61.198 62.300 0.007 0.000 1.073 159 V CB 1.064 32.892 31.823 0.008 0.000 1.081 159 V HN 0.557 8.747 8.190 0.000 0.000 0.474 160 N N 2.193 120.897 118.700 0.007 0.000 2.438 160 N HA 0.195 4.937 4.740 0.004 0.000 0.267 160 N C -0.507 175.009 175.510 0.010 0.000 1.222 160 N CA 0.484 53.539 53.050 0.008 0.000 0.930 160 N CB 0.787 39.277 38.487 0.005 0.000 1.083 160 N HN 0.978 9.358 8.380 0.000 0.000 0.476 161 D N 0.436 120.844 120.400 0.014 0.000 3.216 161 D HA 0.181 4.823 4.640 0.004 0.000 0.348 161 D C 1.248 177.560 176.300 0.019 0.000 1.407 161 D CA -0.418 53.592 54.000 0.016 0.000 0.744 161 D CB -0.282 40.529 40.800 0.019 0.000 1.264 161 D HN 0.521 8.891 8.370 0.000 0.000 0.543 162 G N -0.205 108.604 108.800 0.016 0.000 2.462 162 G HA2 -0.165 3.798 3.960 0.004 0.000 0.220 162 G HA3 -0.165 3.798 3.960 0.004 0.000 0.220 162 G C 1.382 176.292 174.900 0.018 0.000 1.121 162 G CA 0.729 45.839 45.100 0.017 0.000 0.758 162 G HN 0.410 8.700 8.290 0.000 0.000 0.559 163 G N -0.219 108.590 108.800 0.016 0.000 2.712 163 G HA2 0.411 4.373 3.960 0.004 0.000 0.212 163 G HA3 0.411 4.373 3.960 0.004 0.000 0.212 163 G C 1.076 175.987 174.900 0.018 0.000 1.142 163 G CA 0.559 45.669 45.100 0.015 0.000 0.789 163 G HN 1.219 9.509 8.290 0.000 0.000 0.535 217 V N 4.572 124.489 119.914 0.004 0.000 2.343 217 V HA -0.121 4.001 4.120 0.004 0.000 0.247 217 V C 2.664 178.754 176.094 -0.006 0.000 1.051 217 V CA 2.662 64.961 62.300 -0.002 0.000 1.036 217 V CB -1.175 30.648 31.823 -0.001 0.000 0.654 217 V HN 0.935 9.125 8.190 0.000 0.000 0.451 218 T N 0.663 115.215 114.554 -0.004 0.000 2.684 218 T HA -0.207 4.145 4.350 0.004 0.000 0.267 218 T C 1.904 176.600 174.700 -0.006 0.000 1.036 218 T CA 1.975 64.072 62.100 -0.005 0.000 1.148 218 T CB -0.374 68.492 68.868 -0.003 0.000 0.863 218 T HN 0.316 8.556 8.240 0.000 0.000 0.436 219 L N 1.316 122.537 121.223 -0.003 0.000 2.056 219 L HA -0.007 4.335 4.340 0.004 0.000 0.207 219 L C 2.249 179.116 176.870 -0.005 0.000 1.078 219 L CA 1.767 56.606 54.840 -0.002 0.000 0.749 219 L CB -0.691 41.369 42.059 0.002 0.000 0.901 219 L HN 0.245 8.475 8.230 0.000 0.000 0.433 220 E N -0.486 119.711 120.200 -0.005 0.000 2.077 220 E HA -0.227 4.125 4.350 0.004 0.000 0.193 220 E C 2.242 178.829 176.600 -0.023 0.000 0.989 220 E CA 1.687 58.081 56.400 -0.010 0.000 0.800 220 E CB -0.289 29.406 29.700 -0.008 0.000 0.746 220 E HN 0.504 8.864 8.360 0.000 0.000 0.452 221 L N 0.852 122.058 121.223 -0.027 0.000 2.156 221 L HA -0.132 4.211 4.340 0.004 0.000 0.208 221 L C 2.651 179.505 176.870 -0.027 0.000 1.095 221 L CA 1.107 55.925 54.840 -0.037 0.000 0.770 221 L CB -0.449 41.590 42.059 -0.034 0.000 0.914 221 L HN 0.208 8.438 8.230 0.000 0.000 0.439 222 S N -0.727 114.963 115.700 -0.017 0.000 2.402 222 S HA -0.203 4.269 4.470 0.004 0.000 0.229 222 S C 1.797 176.391 174.600 -0.011 0.000 1.021 222 S CA 0.987 59.180 58.200 -0.012 0.000 0.974 222 S CB -0.125 63.070 63.200 -0.008 0.000 0.800 222 S HN 0.522 8.832 8.310 0.000 0.000 0.484 223 Q N 0.224 120.018 119.800 -0.010 0.000 2.390 223 Q HA 0.433 4.775 4.340 0.004 0.000 0.216 223 Q C 0.304 176.299 176.000 -0.008 0.000 0.916 223 Q CA 0.100 55.899 55.803 -0.006 0.000 0.911 223 Q CB 0.027 28.764 28.738 -0.000 0.000 1.035 223 Q HN 0.400 8.670 8.270 0.000 0.000 0.541 224 L N 2.630 123.845 121.223 -0.014 0.000 3.833 224 L HA -0.292 4.051 4.340 0.004 0.000 0.447 224 L C 1.434 178.304 176.870 -0.000 0.000 1.213 224 L CA 0.121 54.949 54.840 -0.019 0.000 0.801 224 L CB -1.682 40.356 42.059 -0.035 0.000 1.676 224 L HN 0.334 8.564 8.230 0.000 0.000 0.883 225 S N -0.969 114.737 115.700 0.009 0.000 2.383 225 S HA -0.153 4.319 4.470 0.004 0.000 0.229 225 S C 1.507 176.130 174.600 0.037 0.000 1.030 225 S CA 1.373 59.585 58.200 0.021 0.000 1.002 225 S CB -0.028 63.183 63.200 0.019 0.000 0.829 225 S HN 0.542 8.852 8.310 0.000 0.000 0.467 226 M N 0.471 120.098 119.600 0.043 0.000 2.495 226 M HA 0.368 4.850 4.480 0.004 0.000 0.237 226 M C 1.573 177.912 176.300 0.065 0.000 1.131 226 M CA 0.061 55.404 55.300 0.073 0.000 1.032 226 M CB -0.556 32.094 32.600 0.083 0.000 1.513 226 M HN 0.373 8.663 8.290 0.000 0.000 0.488 227 L N 1.695 122.937 121.223 0.030 0.000 2.056 227 L HA -0.024 4.319 4.340 0.004 0.000 0.207 227 L C -0.848 176.027 176.870 0.008 0.000 1.078 227 L CA 2.251 57.094 54.840 0.007 0.000 0.749 227 L CB -1.639 40.409 42.059 -0.018 0.000 0.901 227 L HN 0.067 8.297 8.230 0.000 0.000 0.433 228 P HA -0.195 4.225 4.420 0.000 0.000 0.215 228 P C 1.229 178.542 177.300 0.020 0.000 1.157 228 P CA 1.699 64.815 63.100 0.028 0.000 0.868 228 P CB -0.069 31.665 31.700 0.056 0.000 0.788 229 H N -0.630 118.436 119.070 -0.006 0.000 2.326 229 H HA -0.033 4.525 4.556 0.004 0.000 0.301 229 H C 1.786 177.034 175.328 -0.134 0.000 1.081 229 H CA 1.485 57.537 56.048 0.007 0.000 1.334 229 H CB -0.892 28.934 29.762 0.107 0.000 1.385 229 H HN -0.055 8.225 8.280 0.000 0.000 0.504 230 L N -0.386 120.772 121.223 -0.108 0.000 2.141 230 L HA -0.062 4.280 4.340 0.004 0.000 0.209 230 L C 2.767 179.456 176.870 -0.302 0.000 1.094 230 L CA 0.782 55.455 54.840 -0.279 0.000 0.763 230 L CB -0.594 41.361 42.059 -0.173 0.000 0.908 230 L HN 0.412 8.642 8.230 0.000 0.000 0.437 231 A N -0.049 122.654 122.820 -0.194 0.000 1.930 231 A HA -0.212 4.111 4.320 0.004 0.000 0.217 231 A C 1.901 179.313 177.584 -0.287 0.000 1.175 231 A CA 1.844 53.788 52.037 -0.156 0.000 0.627 231 A CB -0.400 18.562 19.000 -0.063 0.000 0.815 231 A HN 0.309 8.459 8.150 0.000 0.000 0.443 232 D N -0.512 119.632 120.400 -0.427 0.000 2.144 232 D HA -0.106 4.536 4.640 0.004 0.000 0.200 232 D C 1.854 177.433 176.300 -1.200 0.000 0.978 232 D CA 1.181 54.768 54.000 -0.689 0.000 0.833 232 D CB -0.342 40.056 40.800 -0.669 0.000 0.961 232 D HN 0.362 8.732 8.370 0.000 0.000 0.470 233 L N 0.439 120.906 121.223 -1.260 0.000 2.046 233 L HA -0.117 4.225 4.340 0.004 0.000 0.208 233 L C 2.103 178.633 176.870 -0.568 0.000 1.077 233 L CA 1.389 55.523 54.840 -1.176 0.000 0.747 233 L CB -0.498 41.022 42.059 -0.898 0.000 0.896 233 L HN -0.125 8.105 8.230 0.000 0.000 0.432 234 V N -1.078 118.593 119.914 -0.405 0.000 2.358 234 V HA -0.236 3.887 4.120 0.004 0.000 0.246 234 V C 2.747 178.763 176.094 -0.131 0.000 1.047 234 V CA 1.747 63.925 62.300 -0.203 0.000 1.035 234 V CB -0.518 31.229 31.823 -0.127 0.000 0.658 234 V HN 0.613 8.803 8.190 0.000 0.000 0.452 235 S N -1.190 114.408 115.700 -0.171 0.000 2.356 235 S HA -0.264 4.209 4.470 0.004 0.000 0.223 235 S C 1.993 176.548 174.600 -0.075 0.000 1.032 235 S CA 2.039 60.170 58.200 -0.115 0.000 1.005 235 S CB -0.442 62.682 63.200 -0.127 0.000 0.867 235 S HN 0.696 9.006 8.310 0.000 0.000 0.449 236 Y N 1.950 122.081 120.300 -0.281 0.000 2.165 236 Y HA -0.144 4.409 4.550 0.004 0.000 0.286 236 Y C 2.486 178.342 175.900 -0.074 0.000 1.155 236 Y CA 2.081 60.089 58.100 -0.153 0.000 1.164 236 Y CB -0.665 37.687 38.460 -0.181 0.000 0.978 236 Y HN 0.272 8.552 8.280 0.000 0.000 0.513 237 S N 0.505 116.266 115.700 0.102 0.000 2.382 237 S HA -0.146 4.327 4.470 0.004 0.000 0.228 237 S C 1.835 176.415 174.600 -0.033 0.000 1.027 237 S CA 1.299 59.529 58.200 0.050 0.000 0.991 237 S CB -0.322 62.923 63.200 0.074 0.000 0.823 237 S HN 0.412 8.722 8.310 0.000 0.000 0.469 238 I N 2.190 122.728 120.570 -0.054 0.000 2.226 238 I HA -0.160 4.013 4.170 0.004 0.000 0.245 238 I C 2.465 178.534 176.117 -0.080 0.000 1.100 238 I CA 1.301 62.558 61.300 -0.071 0.000 1.374 238 I CB -1.533 36.407 38.000 -0.101 0.000 1.057 238 I HN 0.393 8.603 8.210 0.000 0.000 0.413 239 Q N 0.403 120.141 119.800 -0.103 0.000 2.096 239 Q HA -0.203 4.140 4.340 0.004 0.000 0.204 239 Q C 2.160 178.090 176.000 -0.115 0.000 0.982 239 Q CA 1.216 56.953 55.803 -0.110 0.000 0.850 239 Q CB -0.075 28.581 28.738 -0.136 0.000 0.901 239 Q HN 0.373 8.643 8.270 0.000 0.000 0.422 240 K N 0.217 120.518 120.400 -0.165 0.000 2.097 240 K HA -0.074 4.248 4.320 0.004 0.000 0.205 240 K C 2.094 178.700 176.600 0.010 0.000 1.050 240 K CA 0.768 56.992 56.287 -0.107 0.000 0.938 240 K CB -0.544 31.873 32.500 -0.138 0.000 0.718 240 K HN 0.089 8.339 8.250 0.000 0.000 0.442 241 V N 1.585 121.503 119.914 0.007 0.000 2.407 241 V HA -0.217 3.905 4.120 0.004 0.000 0.248 241 V C 2.195 178.310 176.094 0.036 0.000 1.055 241 V CA 1.170 63.499 62.300 0.049 0.000 1.049 241 V CB -0.396 31.430 31.823 0.006 0.000 0.662 241 V HN 0.071 8.261 8.190 0.000 0.000 0.455 242 I N 1.414 121.974 120.570 -0.017 0.000 2.179 242 I HA -0.130 4.043 4.170 0.004 0.000 0.242 242 I C 2.584 178.675 176.117 -0.042 0.000 1.088 242 I CA 1.712 62.989 61.300 -0.038 0.000 1.357 242 I CB -1.650 36.333 38.000 -0.029 0.000 1.051 242 I HN 0.283 8.493 8.210 0.000 0.000 0.409 243 G N -0.447 108.346 108.800 -0.011 0.000 2.418 243 G HA2 -0.310 3.652 3.960 0.004 0.000 0.217 243 G HA3 -0.310 3.652 3.960 0.004 0.000 0.217 243 G C 1.780 176.681 174.900 0.002 0.000 1.158 243 G CA 0.663 45.761 45.100 -0.004 0.000 0.771 243 G HN 0.359 8.649 8.290 0.000 0.000 0.545 244 F N 2.446 122.341 119.950 -0.091 0.000 2.102 244 F HA 0.077 4.607 4.527 0.004 0.000 0.298 244 F C 2.788 178.471 175.800 -0.195 0.000 1.105 244 F CA 1.413 59.358 58.000 -0.092 0.000 1.239 244 F CB -0.394 38.581 39.000 -0.042 0.000 0.991 244 F HN 0.223 8.523 8.300 0.000 0.000 0.474 245 A N 0.442 123.079 122.820 -0.305 0.000 1.908 245 A HA -0.253 4.069 4.320 0.004 0.000 0.218 245 A C 2.206 179.270 177.584 -0.868 0.000 1.181 245 A CA 2.028 53.602 52.037 -0.773 0.000 0.627 245 A CB -0.816 17.641 19.000 -0.905 0.000 0.818 245 A HN 0.501 8.651 8.150 0.000 0.000 0.445 246 K N -1.060 119.085 120.400 -0.426 0.000 2.360 246 K HA 0.009 4.331 4.320 0.004 0.000 0.201 246 K C 1.547 178.079 176.600 -0.113 0.000 1.046 246 K CA 1.296 57.516 56.287 -0.113 0.000 0.945 246 K CB -0.187 32.308 32.500 -0.009 0.000 0.750 246 K HN 0.537 8.787 8.250 0.000 0.000 0.464 247 M N 0.460 119.910 119.600 -0.250 0.000 2.441 247 M HA 0.128 4.610 4.480 0.004 0.000 0.244 247 M C 0.106 176.242 176.300 -0.273 0.000 1.122 247 M CA 0.083 55.252 55.300 -0.218 0.000 1.041 247 M CB 0.367 32.837 32.600 -0.217 0.000 1.438 247 M HN -0.016 8.274 8.290 0.000 0.000 0.484 248 I N 2.402 122.748 120.570 -0.372 0.000 2.598 248 I HA 0.052 4.225 4.170 0.004 0.000 0.284 248 I C -2.041 174.023 176.117 -0.088 0.000 1.140 248 I CA -1.718 59.407 61.300 -0.293 0.000 1.420 248 I CB 0.126 37.944 38.000 -0.303 0.000 1.387 248 I HN -0.234 7.976 8.210 0.000 0.000 0.553 249 P HA 0.010 4.430 4.420 0.000 0.000 0.260 249 P C 0.792 178.103 177.300 0.018 0.000 1.185 249 P CA 0.848 63.937 63.100 -0.019 0.000 0.763 249 P CB 0.590 32.276 31.700 -0.022 0.000 0.776 250 G N 2.939 111.758 108.800 0.032 0.000 2.258 250 G HA2 -0.375 3.587 3.960 0.004 0.000 0.233 250 G HA3 -0.375 3.587 3.960 0.004 0.000 0.233 250 G C 0.930 175.866 174.900 0.061 0.000 1.006 250 G CA 0.129 45.249 45.100 0.034 0.000 0.620 250 G HN 0.481 8.771 8.290 0.000 0.000 0.511 251 F N 2.113 122.027 119.950 -0.060 0.000 2.126 251 F HA 0.046 4.576 4.527 0.004 0.000 0.299 251 F C 2.674 178.446 175.800 -0.047 0.000 1.096 251 F CA 2.322 60.288 58.000 -0.057 0.000 1.255 251 F CB -0.081 38.872 39.000 -0.079 0.000 0.997 251 F HN 0.197 8.497 8.300 0.000 0.000 0.479 252 R N 0.027 120.569 120.500 0.069 0.000 2.316 252 R HA -0.099 4.244 4.340 0.004 0.000 0.202 252 R C 1.307 177.559 176.300 -0.079 0.000 1.029 252 R CA 0.943 57.033 56.100 -0.016 0.000 1.018 252 R CB -0.418 29.903 30.300 0.035 0.000 0.888 252 R HN 0.343 8.613 8.270 0.000 0.000 0.471 253 D N 0.771 121.123 120.400 -0.080 0.000 2.234 253 D HA -0.010 4.633 4.640 0.004 0.000 0.205 253 D C 0.812 177.042 176.300 -0.117 0.000 0.962 253 D CA 0.626 54.581 54.000 -0.076 0.000 0.855 253 D CB 0.127 40.897 40.800 -0.051 0.000 0.951 253 D HN 0.128 8.498 8.370 0.000 0.000 0.500 254 L N 1.338 122.443 121.223 -0.196 0.000 2.467 254 L HA 0.091 4.434 4.340 0.004 0.000 0.270 254 L C 1.306 178.054 176.870 -0.204 0.000 1.205 254 L CA -0.379 54.326 54.840 -0.226 0.000 0.828 254 L CB 0.336 42.174 42.059 -0.369 0.000 1.101 254 L HN -0.010 8.220 8.230 0.000 0.000 0.479 255 T N -2.067 112.395 114.554 -0.155 0.000 2.802 255 T HA 0.016 4.369 4.350 0.004 0.000 0.305 255 T C 1.270 175.884 174.700 -0.143 0.000 1.053 255 T CA -0.224 61.804 62.100 -0.120 0.000 1.058 255 T CB 0.996 69.812 68.868 -0.086 0.000 0.988 255 T HN 0.772 9.012 8.240 0.000 0.000 0.539 256 S N -0.160 115.478 115.700 -0.102 0.000 2.383 256 S HA -0.181 4.292 4.470 0.004 0.000 0.227 256 S C 1.854 176.406 174.600 -0.081 0.000 1.026 256 S CA 1.114 59.261 58.200 -0.090 0.000 0.981 256 S CB -0.750 62.418 63.200 -0.053 0.000 0.818 256 S HN 0.874 9.184 8.310 0.000 0.000 0.472 257 E N 1.167 121.325 120.200 -0.069 0.000 2.077 257 E HA -0.220 4.132 4.350 0.004 0.000 0.193 257 E C 1.368 177.928 176.600 -0.066 0.000 0.989 257 E CA 1.539 57.905 56.400 -0.056 0.000 0.800 257 E CB -0.215 29.457 29.700 -0.046 0.000 0.746 257 E HN 0.476 8.836 8.360 0.000 0.000 0.452 258 D N 0.160 120.504 120.400 -0.095 0.000 2.144 258 D HA -0.124 4.518 4.640 0.004 0.000 0.200 258 D C 2.008 178.227 176.300 -0.135 0.000 0.978 258 D CA 0.799 54.736 54.000 -0.105 0.000 0.833 258 D CB -0.109 40.615 40.800 -0.126 0.000 0.961 258 D HN 0.286 8.656 8.370 0.000 0.000 0.470 259 Q N -0.024 119.644 119.800 -0.220 0.000 2.061 259 Q HA -0.119 4.223 4.340 0.004 0.000 0.204 259 Q C 2.423 178.442 176.000 0.032 0.000 0.984 259 Q CA 0.969 56.618 55.803 -0.257 0.000 0.846 259 Q CB -0.055 28.488 28.738 -0.325 0.000 0.902 259 Q HN 0.373 8.643 8.270 0.000 0.000 0.421 260 I N -0.129 120.440 120.570 -0.001 0.000 2.315 260 I HA -0.232 3.941 4.170 0.004 0.000 0.248 260 I C 2.232 178.352 176.117 0.005 0.000 1.117 260 I CA 0.664 61.973 61.300 0.014 0.000 1.404 260 I CB -0.318 37.674 38.000 -0.013 0.000 1.071 260 I HN 0.029 8.239 8.210 0.000 0.000 0.419 261 V N 1.299 121.207 119.914 -0.009 0.000 2.295 261 V HA -0.267 3.855 4.120 0.004 0.000 0.246 261 V C 2.431 178.532 176.094 0.012 0.000 1.049 261 V CA 1.782 64.076 62.300 -0.009 0.000 1.024 261 V CB -0.462 31.351 31.823 -0.017 0.000 0.648 261 V HN 0.371 8.561 8.190 0.000 0.000 0.447 262 L N -1.014 120.236 121.223 0.044 0.000 2.046 262 L HA -0.176 4.167 4.340 0.004 0.000 0.208 262 L C 2.390 179.314 176.870 0.090 0.000 1.077 262 L CA 1.414 56.307 54.840 0.089 0.000 0.747 262 L CB -0.502 41.662 42.059 0.175 0.000 0.896 262 L HN 0.299 8.529 8.230 0.000 0.000 0.432 263 L N -0.409 120.878 121.223 0.107 0.000 2.056 263 L HA -0.200 4.142 4.340 0.004 0.000 0.207 263 L C 2.665 179.516 176.870 -0.031 0.000 1.078 263 L CA 1.380 56.249 54.840 0.048 0.000 0.749 263 L CB -0.363 41.734 42.059 0.063 0.000 0.901 263 L HN 0.179 8.409 8.230 0.000 0.000 0.433 264 K N -0.277 120.092 120.400 -0.052 0.000 2.097 264 K HA -0.130 4.193 4.320 0.004 0.000 0.205 264 K C 2.276 178.818 176.600 -0.097 0.000 1.050 264 K CA 1.703 57.918 56.287 -0.120 0.000 0.938 264 K CB -0.144 32.288 32.500 -0.113 0.000 0.718 264 K HN 0.376 8.626 8.250 0.000 0.000 0.442 265 S N 0.338 116.015 115.700 -0.039 0.000 2.436 265 S HA -0.076 4.397 4.470 0.004 0.000 0.228 265 S C 1.956 176.553 174.600 -0.005 0.000 1.014 265 S CA 1.145 59.337 58.200 -0.014 0.000 0.950 265 S CB -0.028 63.172 63.200 -0.000 0.000 0.784 265 S HN 0.262 8.572 8.310 0.000 0.000 0.504 266 S N 1.100 116.795 115.700 -0.008 0.000 2.511 266 S HA 0.510 4.982 4.470 0.004 0.000 0.214 266 S C 1.954 176.541 174.600 -0.021 0.000 0.997 266 S CA 0.256 58.451 58.200 -0.008 0.000 0.908 266 S CB -0.306 62.897 63.200 0.006 0.000 0.803 266 S HN 0.629 8.939 8.310 0.000 0.000 0.504 267 A N 2.634 125.431 122.820 -0.039 0.000 1.881 267 A HA -0.147 4.175 4.320 0.004 0.000 0.219 267 A C 2.102 179.679 177.584 -0.011 0.000 1.215 267 A CA 2.037 54.045 52.037 -0.047 0.000 0.648 267 A CB -1.099 17.821 19.000 -0.132 0.000 0.832 267 A HN 0.568 8.718 8.150 0.000 0.000 0.455 268 I N 0.103 120.699 120.570 0.043 0.000 2.361 268 I HA -0.187 3.986 4.170 0.004 0.000 0.251 268 I C 2.158 178.205 176.117 -0.116 0.000 1.133 268 I CA 1.844 63.119 61.300 -0.042 0.000 1.413 268 I CB -0.441 37.482 38.000 -0.129 0.000 1.073 268 I HN 0.497 8.707 8.210 0.000 0.000 0.424 269 E N -0.583 119.564 120.200 -0.089 0.000 2.072 269 E HA -0.149 4.204 4.350 0.004 0.000 0.191 269 E C 2.239 178.793 176.600 -0.077 0.000 0.985 269 E CA 1.497 57.827 56.400 -0.117 0.000 0.801 269 E CB -0.152 29.492 29.700 -0.094 0.000 0.750 269 E HN 0.361 8.721 8.360 0.000 0.000 0.452 270 V N 1.163 121.047 119.914 -0.050 0.000 2.427 270 V HA -0.221 3.901 4.120 0.004 0.000 0.248 270 V C 2.138 178.224 176.094 -0.012 0.000 1.051 270 V CA 1.104 63.378 62.300 -0.043 0.000 1.048 270 V CB -0.315 31.481 31.823 -0.045 0.000 0.666 270 V HN 0.180 8.370 8.190 0.000 0.000 0.456 271 I N -0.397 120.164 120.570 -0.014 0.000 2.226 271 I HA -0.251 3.922 4.170 0.004 0.000 0.245 271 I C 2.392 178.534 176.117 0.041 0.000 1.100 271 I CA 1.821 63.127 61.300 0.010 0.000 1.374 271 I CB -0.486 37.485 38.000 -0.048 0.000 1.057 271 I HN 0.219 8.429 8.210 0.000 0.000 0.413 272 M N -1.010 118.585 119.600 -0.008 0.000 2.117 272 M HA -0.214 4.269 4.480 0.004 0.000 0.262 272 M C 2.281 178.723 176.300 0.237 0.000 1.065 272 M CA 1.737 57.075 55.300 0.064 0.000 1.114 272 M CB -0.446 32.084 32.600 -0.116 0.000 1.361 272 M HN 0.191 8.481 8.290 0.000 0.000 0.408 273 L N 0.074 121.404 121.223 0.179 0.000 1.994 273 L HA -0.212 4.131 4.340 0.004 0.000 0.208 273 L C 2.801 179.824 176.870 0.256 0.000 1.071 273 L CA 1.476 56.457 54.840 0.235 0.000 0.745 273 L CB -0.743 41.353 42.059 0.061 0.000 0.892 273 L HN 0.372 8.602 8.230 0.000 0.000 0.431 274 R N 0.196 120.806 120.500 0.183 0.000 2.148 274 R HA -0.118 4.225 4.340 0.004 0.000 0.227 274 R C 2.173 178.742 176.300 0.448 0.000 1.103 274 R CA 1.542 57.814 56.100 0.287 0.000 0.983 274 R CB -0.771 29.697 30.300 0.279 0.000 0.874 274 R HN 0.403 8.673 8.270 0.000 0.000 0.451 275 S N 0.564 116.527 115.700 0.438 0.000 2.474 275 S HA -0.147 4.325 4.470 0.004 0.000 0.235 275 S C 1.691 176.675 174.600 0.640 0.000 0.997 275 S CA 0.919 59.459 58.200 0.567 0.000 0.949 275 S CB -0.609 62.859 63.200 0.447 0.000 0.766 275 S HN 0.516 8.826 8.310 0.000 0.000 0.517 276 N N 1.501 120.473 118.700 0.453 0.000 2.364 276 N HA -0.186 4.556 4.740 0.004 0.000 0.183 276 N C 1.773 177.440 175.510 0.263 0.000 1.022 276 N CA 1.254 54.492 53.050 0.313 0.000 0.883 276 N CB -0.192 38.400 38.487 0.175 0.000 0.965 276 N HN 0.754 9.134 8.380 0.000 0.000 0.438 277 E N 0.116 120.456 120.200 0.234 0.000 2.150 277 E HA -0.107 4.245 4.350 0.004 0.000 0.193 277 E C 1.709 178.518 176.600 0.348 0.000 0.985 277 E CA 1.274 57.772 56.400 0.164 0.000 0.814 277 E CB 0.098 29.781 29.700 -0.028 0.000 0.752 277 E HN 0.419 8.779 8.360 0.000 0.000 0.466 278 S N -0.631 115.371 115.700 0.502 0.000 2.503 278 S HA 0.026 4.498 4.470 0.004 0.000 0.217 278 S C 0.532 175.317 174.600 0.307 0.000 0.999 278 S CA -0.619 57.833 58.200 0.420 0.000 0.914 278 S CB -0.208 63.196 63.200 0.339 0.000 0.782 278 S HN 0.219 8.529 8.310 0.000 0.000 0.520 279 F N 3.233 123.271 119.950 0.147 0.000 2.563 279 F HA 0.469 4.998 4.527 0.004 0.000 0.363 279 F C 0.372 176.106 175.800 -0.112 0.000 1.123 279 F CA 0.533 58.412 58.000 -0.201 0.000 1.307 279 F CB 0.947 39.723 39.000 -0.373 0.000 1.115 279 F HN 0.081 8.381 8.300 0.000 0.000 0.592 280 T N 6.784 120.781 114.554 -0.928 0.000 2.916 280 T HA 0.307 4.659 4.350 0.004 0.000 0.298 280 T C 0.537 174.799 174.700 -0.729 0.000 1.031 280 T CA -0.748 61.017 62.100 -0.557 0.000 0.993 280 T CB 1.129 69.819 68.868 -0.296 0.000 1.045 280 T HN 0.757 8.997 8.240 0.000 0.000 0.454 281 M N 2.553 121.949 119.600 -0.341 0.000 2.659 281 M HA 0.078 4.560 4.480 0.004 0.000 0.243 281 M C 0.933 177.131 176.300 -0.170 0.000 1.111 281 M CA 0.362 55.537 55.300 -0.209 0.000 1.070 281 M CB 0.022 32.597 32.600 -0.041 0.000 1.525 281 M HN 0.604 8.894 8.290 0.000 0.000 0.517 282 D N 1.645 121.937 120.400 -0.180 0.000 2.123 282 D HA -0.155 4.487 4.640 0.004 0.000 0.196 282 D C 1.013 177.239 176.300 -0.124 0.000 0.992 282 D CA 1.501 55.427 54.000 -0.123 0.000 0.833 282 D CB -0.092 40.643 40.800 -0.108 0.000 0.954 282 D HN 0.532 8.902 8.370 0.000 0.000 0.455 283 D N -1.751 118.541 120.400 -0.179 0.000 2.602 283 D HA -0.006 4.637 4.640 0.004 0.000 0.265 283 D C 0.119 176.309 176.300 -0.182 0.000 1.454 283 D CA -0.174 53.742 54.000 -0.141 0.000 0.795 283 D CB -0.012 40.727 40.800 -0.102 0.000 1.140 283 D HN -0.174 8.196 8.370 0.000 0.000 0.486 284 M N 0.626 120.029 119.600 -0.328 0.000 2.297 284 M HA -0.164 4.318 4.480 0.004 0.000 0.200 284 M C -0.442 175.620 176.300 -0.395 0.000 0.414 284 M CA 0.715 55.782 55.300 -0.388 0.000 0.449 284 M CB -3.065 29.509 32.600 -0.043 0.000 1.436 284 M HN 0.472 8.762 8.290 0.000 0.000 0.912 285 S N -1.825 113.523 115.700 -0.587 0.000 2.667 285 S HA 0.808 5.281 4.470 0.004 0.000 0.292 285 S C -0.780 173.631 174.600 -0.314 0.000 1.126 285 S CA -0.884 57.176 58.200 -0.233 0.000 0.881 285 S CB 2.340 65.507 63.200 -0.055 0.000 1.132 285 S HN 0.477 8.787 8.310 0.000 0.000 0.492 286 W N 1.769 123.137 121.300 0.113 0.000 2.283 286 W HA 0.347 5.010 4.660 0.004 0.000 0.317 286 W C -0.607 175.939 176.519 0.045 0.000 1.042 286 W CA -0.510 56.946 57.345 0.185 0.000 1.348 286 W CB 1.328 31.021 29.460 0.389 0.000 1.216 286 W HN 0.540 8.720 8.180 0.000 0.000 0.404 287 T N 3.040 117.663 114.554 0.114 0.000 2.738 287 T HA 0.168 4.521 4.350 0.004 0.000 0.298 287 T C 0.361 175.023 174.700 -0.063 0.000 0.962 287 T CA -0.057 62.041 62.100 -0.002 0.000 0.972 287 T CB 0.629 69.479 68.868 -0.029 0.000 0.928 287 T HN 0.391 8.631 8.240 0.000 0.000 0.474 288 C N 3.719 122.929 119.300 -0.148 0.000 2.742 288 C HA 0.719 5.182 4.460 0.004 0.000 0.283 288 C C 1.493 176.472 174.990 -0.019 0.000 1.451 288 C CA -0.421 58.391 59.018 -0.343 0.000 1.785 288 C CB -1.532 25.961 27.740 -0.411 0.000 2.664 288 C HN 1.207 9.437 8.230 0.000 0.000 0.544 289 G N 2.084 110.916 108.800 0.052 0.000 2.288 289 G HA2 0.026 3.989 3.960 0.004 0.000 0.227 289 G HA3 0.026 3.989 3.960 0.004 0.000 0.227 289 G C -0.731 174.207 174.900 0.062 0.000 1.339 289 G CA -0.332 44.834 45.100 0.110 0.000 1.057 289 G HN 0.435 8.725 8.290 0.000 0.000 0.470 290 N N 0.294 119.038 118.700 0.073 0.000 2.235 290 N HA 0.213 4.956 4.740 0.004 0.000 0.231 290 N C 1.281 176.738 175.510 -0.088 0.000 1.330 290 N CA 0.583 53.626 53.050 -0.013 0.000 0.898 290 N CB 0.323 38.797 38.487 -0.023 0.000 1.151 290 N HN 0.524 8.904 8.380 0.000 0.000 0.472 291 Q N -0.530 119.204 119.800 -0.109 0.000 2.173 291 Q HA -0.193 4.150 4.340 0.004 0.000 0.208 291 Q C 0.943 176.805 176.000 -0.230 0.000 0.989 291 Q CA 1.617 57.337 55.803 -0.137 0.000 0.872 291 Q CB -0.650 28.025 28.738 -0.105 0.000 0.909 291 Q HN 0.663 8.933 8.270 0.000 0.000 0.420 292 D N -0.532 119.662 120.400 -0.345 0.000 2.133 292 D HA -0.163 4.480 4.640 0.004 0.000 0.195 292 D C 0.717 176.589 176.300 -0.714 0.000 0.997 292 D CA 1.196 54.845 54.000 -0.584 0.000 0.840 292 D CB -0.193 40.072 40.800 -0.891 0.000 0.947 292 D HN 0.447 8.817 8.370 0.000 0.000 0.452 293 Y N -0.284 119.898 120.300 -0.197 0.000 2.708 293 Y HA 0.227 4.779 4.550 0.003 0.000 0.287 293 Y C 0.569 176.020 175.900 -0.749 0.000 1.145 293 Y CA -0.551 57.322 58.100 -0.378 0.000 1.249 293 Y CB 0.264 38.700 38.460 -0.041 0.000 1.152 293 Y HN -0.296 7.984 8.280 0.000 0.000 0.532 294 K N 1.213 121.320 120.400 -0.487 0.000 2.263 294 K HA 0.309 4.632 4.320 0.004 0.000 0.272 294 K C -1.620 174.780 176.600 -0.334 0.000 1.033 294 K CA -0.468 55.613 56.287 -0.343 0.000 0.884 294 K CB 0.508 32.921 32.500 -0.145 0.000 1.107 294 K HN 0.186 8.436 8.250 0.000 0.000 0.460 295 Y N 3.719 124.165 120.300 0.244 0.000 2.335 295 Y HA 0.380 4.932 4.550 0.004 0.000 0.339 295 Y C 0.395 176.526 175.900 0.384 0.000 0.987 295 Y CA -0.954 57.311 58.100 0.275 0.000 1.140 295 Y CB 1.308 39.917 38.460 0.248 0.000 1.173 295 Y HN 0.368 8.648 8.280 0.000 0.000 0.486 296 R N 1.029 121.772 120.500 0.404 0.000 2.875 296 R HA 0.432 4.774 4.340 0.004 0.000 0.251 296 R C 0.709 177.223 176.300 0.357 0.000 1.123 296 R CA -0.949 55.356 56.100 0.342 0.000 1.064 296 R CB 1.123 31.532 30.300 0.182 0.000 1.205 296 R HN 0.488 8.758 8.270 0.000 0.000 0.503 297 V N 0.860 120.957 119.914 0.304 0.000 2.380 297 V HA -0.287 3.836 4.120 0.004 0.000 0.251 297 V C 2.308 178.514 176.094 0.187 0.000 1.063 297 V CA 2.620 65.077 62.300 0.262 0.000 1.055 297 V CB -0.623 31.317 31.823 0.196 0.000 0.657 297 V HN 0.977 9.167 8.190 0.000 0.000 0.455 298 S N -0.591 115.201 115.700 0.152 0.000 2.419 298 S HA -0.223 4.250 4.470 0.004 0.000 0.233 298 S C 1.590 176.261 174.600 0.118 0.000 1.016 298 S CA 1.486 59.754 58.200 0.113 0.000 0.974 298 S CB -0.438 62.814 63.200 0.087 0.000 0.786 298 S HN 0.627 8.937 8.310 0.000 0.000 0.492 299 D N 1.442 121.934 120.400 0.155 0.000 2.183 299 D HA 0.022 4.664 4.640 0.004 0.000 0.203 299 D C 2.056 178.431 176.300 0.124 0.000 0.969 299 D CA 0.894 54.985 54.000 0.151 0.000 0.842 299 D CB -0.212 40.726 40.800 0.229 0.000 0.957 299 D HN 0.379 8.749 8.370 0.000 0.000 0.484 300 V N 1.466 121.461 119.914 0.136 0.000 2.548 300 V HA -0.178 3.945 4.120 0.004 0.000 0.249 300 V C 2.733 178.906 176.094 0.132 0.000 1.055 300 V CA 1.971 64.343 62.300 0.119 0.000 1.065 300 V CB -0.929 30.962 31.823 0.114 0.000 0.681 300 V HN 0.329 8.519 8.190 0.000 0.000 0.462 301 T N -1.621 113.002 114.554 0.115 0.000 2.867 301 T HA -0.176 4.176 4.350 0.004 0.000 0.268 301 T C 1.703 176.434 174.700 0.053 0.000 1.057 301 T CA 1.075 63.226 62.100 0.086 0.000 1.136 301 T CB -0.346 68.568 68.868 0.076 0.000 0.874 301 T HN 0.429 8.669 8.240 0.000 0.000 0.466 302 K N 1.220 121.655 120.400 0.057 0.000 2.504 302 K HA 0.312 4.635 4.320 0.004 0.000 0.195 302 K C 1.912 178.525 176.600 0.022 0.000 1.036 302 K CA 0.598 56.908 56.287 0.037 0.000 0.984 302 K CB -0.044 32.484 32.500 0.048 0.000 0.788 302 K HN 0.490 8.740 8.250 0.000 0.000 0.488 303 A N 0.074 122.909 122.820 0.026 0.000 2.387 303 A HA 0.322 4.645 4.320 0.004 0.000 0.234 303 A C 1.191 178.718 177.584 -0.096 0.000 1.253 303 A CA 0.461 52.496 52.037 -0.004 0.000 0.894 303 A CB 0.131 19.156 19.000 0.042 0.000 0.963 303 A HN 0.319 8.469 8.150 0.000 0.000 0.508 304 G N -1.087 107.656 108.800 -0.095 0.000 2.159 304 G HA2 -0.179 3.783 3.960 0.004 0.000 0.227 304 G HA3 -0.179 3.783 3.960 0.004 0.000 0.227 304 G C 0.056 174.794 174.900 -0.269 0.000 0.986 304 G CA 0.141 45.129 45.100 -0.188 0.000 0.651 304 G HN 0.605 8.895 8.290 0.000 0.000 0.523 305 H N 0.744 119.797 119.070 -0.028 0.000 2.496 305 H HA 0.691 5.249 4.556 0.004 0.000 0.342 305 H C 0.756 176.081 175.328 -0.004 0.000 1.170 305 H CA 0.529 56.561 56.048 -0.026 0.000 1.274 305 H CB 1.729 31.483 29.762 -0.013 0.000 1.538 305 H HN 0.488 8.768 8.280 0.000 0.000 0.542 306 S N 0.643 116.430 115.700 0.144 0.000 2.718 306 S HA 0.169 4.642 4.470 0.004 0.000 0.300 306 S C 1.075 175.726 174.600 0.085 0.000 1.117 306 S CA -0.785 57.466 58.200 0.085 0.000 1.002 306 S CB 1.317 64.548 63.200 0.052 0.000 1.092 306 S HN 0.385 8.695 8.310 0.000 0.000 0.542 307 L N 1.235 122.497 121.223 0.066 0.000 2.187 307 L HA 0.001 4.344 4.340 0.004 0.000 0.213 307 L C 2.453 179.354 176.870 0.053 0.000 1.100 307 L CA 1.710 56.587 54.840 0.062 0.000 0.765 307 L CB -0.980 41.110 42.059 0.052 0.000 0.904 307 L HN 0.853 9.083 8.230 0.000 0.000 0.437 308 E N -1.306 118.921 120.200 0.045 0.000 2.267 308 E HA -0.248 4.104 4.350 0.004 0.000 0.197 308 E C 1.863 178.481 176.600 0.030 0.000 0.998 308 E CA 1.151 57.572 56.400 0.035 0.000 0.830 308 E CB -0.065 29.653 29.700 0.029 0.000 0.751 308 E HN 0.369 8.729 8.360 0.000 0.000 0.491 309 L N -0.362 120.882 121.223 0.035 0.000 2.349 309 L HA 0.072 4.415 4.340 0.004 0.000 0.200 309 L C 1.742 178.627 176.870 0.026 0.000 1.064 309 L CA 0.820 55.666 54.840 0.010 0.000 0.821 309 L CB 0.044 42.084 42.059 -0.031 0.000 1.027 309 L HN -0.069 8.161 8.230 0.000 0.000 0.476 310 I N 0.576 121.179 120.570 0.056 0.000 2.179 310 I HA -0.237 3.936 4.170 0.004 0.000 0.242 310 I C 2.437 178.618 176.117 0.107 0.000 1.088 310 I CA 1.448 62.808 61.300 0.099 0.000 1.357 310 I CB -0.797 37.277 38.000 0.124 0.000 1.051 310 I HN 0.328 8.538 8.210 0.000 0.000 0.409 311 E N 0.224 120.472 120.200 0.082 0.000 2.038 311 E HA -0.220 4.132 4.350 0.004 0.000 0.195 311 E C -0.269 176.371 176.600 0.068 0.000 1.000 311 E CA 1.649 58.092 56.400 0.072 0.000 0.803 311 E CB -1.409 28.325 29.700 0.056 0.000 0.750 311 E HN 0.414 8.774 8.360 0.000 0.000 0.448 312 P HA -0.148 4.272 4.420 0.000 0.000 0.218 312 P C 1.521 178.875 177.300 0.089 0.000 1.149 312 P CA 0.758 63.894 63.100 0.060 0.000 0.817 312 P CB 0.018 31.740 31.700 0.037 0.000 0.785 313 L N -0.782 120.494 121.223 0.087 0.000 2.046 313 L HA -0.133 4.209 4.340 0.004 0.000 0.208 313 L C 2.008 178.962 176.870 0.139 0.000 1.077 313 L CA 1.957 56.876 54.840 0.131 0.000 0.747 313 L CB -1.160 40.989 42.059 0.149 0.000 0.896 313 L HN -0.130 8.100 8.230 0.000 0.000 0.432 314 I N -0.191 120.432 120.570 0.088 0.000 2.252 314 I HA -0.263 3.909 4.170 0.004 0.000 0.245 314 I C 2.481 178.552 176.117 -0.077 0.000 1.102 314 I CA 1.291 62.568 61.300 -0.038 0.000 1.385 314 I CB -1.111 36.921 38.000 0.052 0.000 1.064 314 I HN 0.425 8.635 8.210 0.000 0.000 0.414 315 K N 0.701 121.107 120.400 0.010 0.000 2.103 315 K HA -0.245 4.077 4.320 0.004 0.000 0.207 315 K C 2.309 178.895 176.600 -0.022 0.000 1.048 315 K CA 1.505 57.794 56.287 0.002 0.000 0.930 315 K CB -0.310 32.212 32.500 0.036 0.000 0.716 315 K HN 0.135 8.385 8.250 0.000 0.000 0.444 316 F N 1.709 121.598 119.950 -0.101 0.000 2.146 316 F HA -0.196 4.333 4.527 0.004 0.000 0.298 316 F C 2.235 177.929 175.800 -0.178 0.000 1.096 316 F CA 1.340 59.278 58.000 -0.103 0.000 1.275 316 F CB -0.082 38.877 39.000 -0.069 0.000 1.008 316 F HN 0.079 8.379 8.300 0.000 0.000 0.480 317 Q N 0.273 119.888 119.800 -0.309 0.000 2.084 317 Q HA -0.135 4.207 4.340 0.004 0.000 0.202 317 Q C 2.569 178.212 176.000 -0.595 0.000 0.978 317 Q CA 1.760 57.150 55.803 -0.688 0.000 0.844 317 Q CB -1.027 26.764 28.738 -1.580 0.000 0.898 317 Q HN 0.414 8.684 8.270 0.000 0.000 0.426 318 V N 0.390 120.066 119.914 -0.397 0.000 2.307 318 V HA -0.161 3.962 4.120 0.004 0.000 0.245 318 V C 2.339 178.341 176.094 -0.154 0.000 1.045 318 V CA 1.906 64.125 62.300 -0.135 0.000 1.024 318 V CB -1.191 30.614 31.823 -0.031 0.000 0.651 318 V HN 0.439 8.629 8.190 0.000 0.000 0.449 319 G N -0.207 108.468 108.800 -0.209 0.000 2.422 319 G HA2 -0.248 3.714 3.960 0.004 0.000 0.218 319 G HA3 -0.248 3.714 3.960 0.004 0.000 0.218 319 G C 1.574 176.322 174.900 -0.253 0.000 1.146 319 G CA 1.157 46.139 45.100 -0.198 0.000 0.769 319 G HN 0.443 8.733 8.290 0.000 0.000 0.547 320 L N 0.130 121.104 121.223 -0.415 0.000 2.109 320 L HA 0.216 4.558 4.340 0.004 0.000 0.207 320 L C 2.498 179.259 176.870 -0.182 0.000 1.086 320 L CA 1.599 56.217 54.840 -0.370 0.000 0.760 320 L CB -0.339 41.364 42.059 -0.594 0.000 0.910 320 L HN -0.066 8.164 8.230 0.000 0.000 0.437 321 K N 0.417 120.730 120.400 -0.144 0.000 2.057 321 K HA -0.174 4.148 4.320 0.004 0.000 0.207 321 K C 2.034 178.620 176.600 -0.024 0.000 1.049 321 K CA 1.509 57.774 56.287 -0.037 0.000 0.931 321 K CB -0.141 32.387 32.500 0.048 0.000 0.714 321 K HN 0.402 8.652 8.250 0.000 0.000 0.440 322 K N 0.552 120.928 120.400 -0.040 0.000 2.442 322 K HA 0.007 4.329 4.320 0.004 0.000 0.198 322 K C 1.895 178.489 176.600 -0.010 0.000 1.042 322 K CA 0.395 56.671 56.287 -0.019 0.000 0.958 322 K CB 0.018 32.503 32.500 -0.025 0.000 0.766 322 K HN 0.095 8.345 8.250 0.000 0.000 0.474 323 L N 0.474 121.679 121.223 -0.030 0.000 2.465 323 L HA -0.055 4.287 4.340 0.004 0.000 0.224 323 L C -0.296 176.601 176.870 0.044 0.000 1.145 323 L CA 0.368 55.200 54.840 -0.014 0.000 0.834 323 L CB -0.759 41.269 42.059 -0.052 0.000 0.944 323 L HN 0.341 8.571 8.230 0.000 0.000 0.451 324 N N 0.363 119.093 118.700 0.051 0.000 2.725 324 N HA -0.182 4.561 4.740 0.004 0.000 0.251 324 N C -0.455 175.162 175.510 0.178 0.000 1.031 324 N CA -0.028 53.083 53.050 0.101 0.000 0.720 324 N CB -1.348 37.212 38.487 0.121 0.000 0.930 324 N HN 0.250 8.630 8.380 0.000 0.000 0.543 325 L N 0.630 121.924 121.223 0.118 0.000 2.483 325 L HA 0.079 4.421 4.340 0.004 0.000 0.276 325 L C 1.325 178.351 176.870 0.262 0.000 1.213 325 L CA 0.111 55.044 54.840 0.153 0.000 0.843 325 L CB 0.229 42.340 42.059 0.086 0.000 1.107 325 L HN 0.341 8.571 8.230 0.000 0.000 0.487 326 H N 1.204 120.366 119.070 0.153 0.000 2.615 326 H HA -0.024 4.534 4.556 0.004 0.000 0.363 326 H C 0.624 175.978 175.328 0.045 0.000 1.148 326 H CA -0.439 55.685 56.048 0.127 0.000 1.401 326 H CB 1.459 31.358 29.762 0.228 0.000 1.461 326 H HN 0.669 8.949 8.280 0.000 0.000 0.588 327 E N 1.857 122.144 120.200 0.145 0.000 2.160 327 E HA -0.225 4.127 4.350 0.004 0.000 0.195 327 E C 1.114 177.732 176.600 0.030 0.000 0.991 327 E CA 1.303 57.753 56.400 0.084 0.000 0.810 327 E CB 0.222 29.987 29.700 0.109 0.000 0.742 327 E HN 0.606 8.966 8.360 0.000 0.000 0.466 328 E N 0.660 120.835 120.200 -0.043 0.000 2.085 328 E HA -0.200 4.152 4.350 0.004 0.000 0.194 328 E C 1.874 178.314 176.600 -0.267 0.000 0.994 328 E CA 1.573 57.824 56.400 -0.247 0.000 0.801 328 E CB -0.033 29.278 29.700 -0.648 0.000 0.743 328 E HN 0.362 8.722 8.360 0.000 0.000 0.453 329 E N -0.773 119.303 120.200 -0.206 0.000 2.072 329 E HA -0.199 4.154 4.350 0.004 0.000 0.191 329 E C 1.954 178.535 176.600 -0.032 0.000 0.985 329 E CA 1.113 57.449 56.400 -0.108 0.000 0.801 329 E CB -0.133 29.545 29.700 -0.036 0.000 0.750 329 E HN 0.333 8.693 8.360 0.000 0.000 0.452 330 H N 0.514 119.520 119.070 -0.106 0.000 2.321 330 H HA -0.119 4.439 4.556 0.004 0.000 0.300 330 H C 2.048 177.264 175.328 -0.187 0.000 1.087 330 H CA 2.042 58.007 56.048 -0.138 0.000 1.319 330 H CB -0.122 29.546 29.762 -0.157 0.000 1.379 330 H HN 0.114 8.394 8.280 0.000 0.000 0.501 331 V N -1.285 118.504 119.914 -0.208 0.000 2.548 331 V HA -0.102 4.020 4.120 0.004 0.000 0.249 331 V C 2.430 178.495 176.094 -0.049 0.000 1.055 331 V CA 1.590 63.760 62.300 -0.217 0.000 1.065 331 V CB -0.886 30.887 31.823 -0.084 0.000 0.681 331 V HN 0.362 8.552 8.190 0.000 0.000 0.462 332 L N -0.695 120.491 121.223 -0.061 0.000 2.093 332 L HA -0.075 4.268 4.340 0.004 0.000 0.208 332 L C 2.549 179.408 176.870 -0.018 0.000 1.085 332 L CA 1.613 56.440 54.840 -0.021 0.000 0.755 332 L CB -0.465 41.573 42.059 -0.035 0.000 0.904 332 L HN 0.379 8.609 8.230 0.000 0.000 0.435 333 L N -0.602 120.581 121.223 -0.067 0.000 2.046 333 L HA -0.206 4.136 4.340 0.004 0.000 0.208 333 L C 2.416 179.240 176.870 -0.076 0.000 1.077 333 L CA 1.756 56.557 54.840 -0.065 0.000 0.747 333 L CB -0.308 41.703 42.059 -0.079 0.000 0.896 333 L HN 0.178 8.408 8.230 0.000 0.000 0.432 334 M N -1.313 118.194 119.600 -0.156 0.000 2.117 334 M HA -0.180 4.302 4.480 0.004 0.000 0.262 334 M C 2.278 178.621 176.300 0.072 0.000 1.065 334 M CA 1.719 56.943 55.300 -0.126 0.000 1.114 334 M CB -0.566 31.809 32.600 -0.375 0.000 1.361 334 M HN 0.422 8.712 8.290 0.000 0.000 0.408 335 A N 0.617 123.536 122.820 0.164 0.000 1.902 335 A HA -0.137 4.186 4.320 0.004 0.000 0.217 335 A C 2.043 179.665 177.584 0.063 0.000 1.181 335 A CA 1.462 53.583 52.037 0.139 0.000 0.623 335 A CB -0.870 18.171 19.000 0.068 0.000 0.818 335 A HN 0.454 8.604 8.150 0.000 0.000 0.443 336 I N -0.892 119.705 120.570 0.046 0.000 2.315 336 I HA -0.282 3.890 4.170 0.004 0.000 0.248 336 I C 2.686 178.824 176.117 0.034 0.000 1.117 336 I CA 1.153 62.477 61.300 0.041 0.000 1.404 336 I CB -0.385 37.639 38.000 0.039 0.000 1.071 336 I HN 0.579 8.789 8.210 0.000 0.000 0.419 337 C N 1.314 120.626 119.300 0.021 0.000 2.413 337 C HA -0.165 4.298 4.460 0.004 0.000 0.276 337 C C 2.727 177.734 174.990 0.028 0.000 1.248 337 C CA 0.924 59.949 59.018 0.013 0.000 1.742 337 C CB -0.855 26.882 27.740 -0.006 0.000 2.017 337 C HN 0.413 8.643 8.230 0.000 0.000 0.481 338 I N 0.821 121.417 120.570 0.043 0.000 2.202 338 I HA -0.083 4.090 4.170 0.004 0.000 0.242 338 I C 1.101 177.281 176.117 0.105 0.000 1.091 338 I CA 1.175 62.511 61.300 0.060 0.000 1.368 338 I CB -0.311 37.705 38.000 0.027 0.000 1.058 338 I HN 0.083 8.293 8.210 0.000 0.000 0.410 339 V N 2.063 122.040 119.914 0.106 0.000 2.056 339 V HA 0.121 4.244 4.120 0.004 0.000 0.267 339 V C -0.036 176.101 176.094 0.072 0.000 1.535 339 V CA 0.053 62.426 62.300 0.122 0.000 1.475 339 V CB -0.706 31.196 31.823 0.132 0.000 1.441 339 V HN 0.160 8.350 8.190 0.000 0.000 0.500 340 S N 5.404 121.140 115.700 0.059 0.000 2.433 340 S HA 0.364 4.837 4.470 0.004 0.000 0.310 340 S C -1.261 173.356 174.600 0.029 0.000 1.097 340 S CA -0.919 57.303 58.200 0.037 0.000 1.103 340 S CB 1.853 65.069 63.200 0.027 0.000 0.992 340 S HN 0.476 8.786 8.310 0.000 0.000 0.469 341 P HA -0.049 4.371 4.420 0.000 0.000 0.229 341 P C 0.360 177.665 177.300 0.009 0.000 1.160 341 P CA 0.761 63.869 63.100 0.013 0.000 0.777 341 P CB 0.038 31.745 31.700 0.012 0.000 0.814 342 D N -1.136 119.271 120.400 0.010 0.000 2.319 342 D HA -0.016 4.626 4.640 0.004 0.000 0.230 342 D C 0.508 176.812 176.300 0.006 0.000 1.094 342 D CA -0.064 53.941 54.000 0.007 0.000 0.856 342 D CB -0.360 40.445 40.800 0.007 0.000 0.915 342 D HN -0.024 8.346 8.370 0.000 0.000 0.517 343 R N 2.174 122.679 120.500 0.007 0.000 2.491 343 R HA 0.235 4.577 4.340 0.004 0.000 0.283 343 R C -2.108 174.194 176.300 0.003 0.000 1.072 343 R CA -1.571 54.533 56.100 0.006 0.000 1.048 343 R CB -0.387 29.919 30.300 0.010 0.000 0.983 343 R HN 0.197 8.467 8.270 0.000 0.000 0.450 344 P HA 0.024 4.444 4.420 0.000 0.000 0.268 344 P C 0.534 177.833 177.300 -0.002 0.000 1.204 344 P CA 0.368 63.469 63.100 0.001 0.000 0.768 344 P CB 0.717 32.419 31.700 0.004 0.000 0.842 345 G N 1.619 110.416 108.800 -0.005 0.000 2.194 345 G HA2 -0.212 3.751 3.960 0.004 0.000 0.236 345 G HA3 -0.212 3.751 3.960 0.004 0.000 0.236 345 G C 0.074 174.966 174.900 -0.013 0.000 0.987 345 G CA 0.040 45.135 45.100 -0.009 0.000 0.635 345 G HN 0.707 8.997 8.290 0.000 0.000 0.520 346 V N -1.224 118.683 119.914 -0.012 0.000 2.715 346 V HA 0.658 4.780 4.120 0.004 0.000 0.299 346 V C 1.193 177.275 176.094 -0.020 0.000 1.054 346 V CA 0.229 62.519 62.300 -0.018 0.000 1.077 346 V CB 1.546 33.361 31.823 -0.014 0.000 0.972 346 V HN 0.167 8.357 8.190 0.000 0.000 0.484 347 Q N 1.559 121.342 119.800 -0.028 0.000 2.263 347 Q HA 0.129 4.471 4.340 0.004 0.000 0.196 347 Q C 0.811 176.795 176.000 -0.026 0.000 0.965 347 Q CA 0.932 56.719 55.803 -0.026 0.000 0.851 347 Q CB -0.198 28.522 28.738 -0.031 0.000 0.948 347 Q HN 0.959 9.229 8.270 0.000 0.000 0.516 348 D N 0.938 121.317 120.400 -0.034 0.000 2.631 348 D HA 0.314 4.957 4.640 0.004 0.000 0.227 348 D C 0.640 176.923 176.300 -0.027 0.000 1.146 348 D CA -0.075 53.905 54.000 -0.032 0.000 1.009 348 D CB 0.413 41.188 40.800 -0.042 0.000 1.057 348 D HN 0.150 8.520 8.370 0.000 0.000 0.509 349 A N 2.297 125.106 122.820 -0.018 0.000 1.940 349 A HA -0.134 4.189 4.320 0.004 0.000 0.219 349 A C 2.185 179.764 177.584 -0.009 0.000 1.176 349 A CA 1.808 53.838 52.037 -0.011 0.000 0.631 349 A CB -0.365 18.631 19.000 -0.006 0.000 0.814 349 A HN 0.505 8.655 8.150 0.000 0.000 0.446 350 A N -0.702 122.112 122.820 -0.010 0.000 1.902 350 A HA -0.014 4.309 4.320 0.004 0.000 0.217 350 A C 2.113 179.692 177.584 -0.009 0.000 1.181 350 A CA 1.713 53.745 52.037 -0.007 0.000 0.623 350 A CB -0.545 18.450 19.000 -0.008 0.000 0.818 350 A HN 0.676 8.826 8.150 0.000 0.000 0.443 351 L N -0.063 121.150 121.223 -0.017 0.000 2.093 351 L HA -0.039 4.303 4.340 0.004 0.000 0.208 351 L C 2.157 179.017 176.870 -0.017 0.000 1.085 351 L CA 1.574 56.402 54.840 -0.021 0.000 0.755 351 L CB -0.439 41.599 42.059 -0.035 0.000 0.904 351 L HN 0.430 8.660 8.230 0.000 0.000 0.435 352 I N -0.631 119.929 120.570 -0.018 0.000 2.315 352 I HA -0.266 3.906 4.170 0.004 0.000 0.248 352 I C 2.476 178.601 176.117 0.012 0.000 1.117 352 I CA 1.456 62.753 61.300 -0.005 0.000 1.404 352 I CB -0.331 37.666 38.000 -0.005 0.000 1.071 352 I HN 0.401 8.611 8.210 0.000 0.000 0.419 353 E N 1.210 121.415 120.200 0.009 0.000 2.150 353 E HA -0.218 4.135 4.350 0.004 0.000 0.193 353 E C 2.274 178.884 176.600 0.016 0.000 0.985 353 E CA 1.138 57.547 56.400 0.016 0.000 0.814 353 E CB 0.040 29.747 29.700 0.012 0.000 0.752 353 E HN 0.491 8.851 8.360 0.000 0.000 0.466 354 A N 1.216 124.042 122.820 0.009 0.000 1.873 354 A HA -0.153 4.170 4.320 0.004 0.000 0.215 354 A C 2.071 179.664 177.584 0.014 0.000 1.186 354 A CA 1.065 53.107 52.037 0.008 0.000 0.616 354 A CB -0.407 18.594 19.000 0.001 0.000 0.823 354 A HN 0.272 8.422 8.150 0.000 0.000 0.442 355 I N -0.022 120.558 120.570 0.015 0.000 2.226 355 I HA -0.241 3.932 4.170 0.004 0.000 0.245 355 I C 2.614 178.751 176.117 0.034 0.000 1.100 355 I CA 1.777 63.092 61.300 0.025 0.000 1.374 355 I CB -1.445 36.575 38.000 0.035 0.000 1.057 355 I HN 0.548 8.758 8.210 0.000 0.000 0.413 356 Q N 0.537 120.360 119.800 0.038 0.000 2.079 356 Q HA -0.221 4.121 4.340 0.004 0.000 0.200 356 Q C 1.724 177.751 176.000 0.045 0.000 0.974 356 Q CA 1.598 57.428 55.803 0.045 0.000 0.840 356 Q CB 0.131 28.897 28.738 0.047 0.000 0.898 356 Q HN 0.415 8.685 8.270 0.000 0.000 0.430 357 D N 0.001 120.423 120.400 0.037 0.000 2.144 357 D HA -0.177 4.465 4.640 0.004 0.000 0.199 357 D C 1.835 178.151 176.300 0.026 0.000 0.984 357 D CA 0.989 55.009 54.000 0.033 0.000 0.834 357 D CB -0.212 40.602 40.800 0.023 0.000 0.955 357 D HN 0.232 8.602 8.370 0.000 0.000 0.465 358 R N 0.333 120.846 120.500 0.022 0.000 2.091 358 R HA -0.077 4.265 4.340 0.004 0.000 0.238 358 R C 2.335 178.648 176.300 0.022 0.000 1.136 358 R CA 0.856 56.966 56.100 0.017 0.000 0.959 358 R CB -0.206 30.103 30.300 0.014 0.000 0.856 358 R HN 0.180 8.450 8.270 0.000 0.000 0.437 359 L N -0.272 120.968 121.223 0.029 0.000 2.072 359 L HA -0.088 4.255 4.340 0.004 0.000 0.205 359 L C 2.451 179.353 176.870 0.053 0.000 1.079 359 L CA 1.131 55.992 54.840 0.035 0.000 0.752 359 L CB -0.287 41.794 42.059 0.036 0.000 0.906 359 L HN 0.181 8.411 8.230 0.000 0.000 0.436 360 S N 0.033 115.774 115.700 0.068 0.000 2.368 360 S HA -0.126 4.347 4.470 0.004 0.000 0.225 360 S C 1.739 176.347 174.600 0.013 0.000 1.030 360 S CA 1.165 59.428 58.200 0.105 0.000 0.999 360 S CB -0.299 62.984 63.200 0.140 0.000 0.844 360 S HN 0.432 8.742 8.310 0.000 0.000 0.459 361 N N 1.159 119.854 118.700 -0.008 0.000 2.188 361 N HA -0.034 4.708 4.740 0.004 0.000 0.184 361 N C 1.747 177.246 175.510 -0.018 0.000 1.018 361 N CA 1.240 54.264 53.050 -0.043 0.000 0.858 361 N CB -0.802 37.670 38.487 -0.024 0.000 0.989 361 N HN 0.335 8.715 8.380 0.000 0.000 0.426 362 T N 1.706 116.270 114.554 0.017 0.000 2.708 362 T HA -0.094 4.258 4.350 0.004 0.000 0.266 362 T C 1.961 176.708 174.700 0.080 0.000 1.037 362 T CA 0.612 62.740 62.100 0.047 0.000 1.146 362 T CB -0.305 68.589 68.868 0.043 0.000 0.865 362 T HN 0.089 8.329 8.240 0.000 0.000 0.435 363 L N 1.237 122.502 121.223 0.069 0.000 2.017 363 L HA -0.068 4.274 4.340 0.004 0.000 0.208 363 L C 2.443 179.364 176.870 0.085 0.000 1.073 363 L CA 1.763 56.668 54.840 0.108 0.000 0.745 363 L CB -0.799 41.349 42.059 0.149 0.000 0.894 363 L HN 0.240 8.470 8.230 0.000 0.000 0.432 364 Q N -1.195 118.556 119.800 -0.083 0.000 2.084 364 Q HA -0.187 4.155 4.340 0.004 0.000 0.202 364 Q C 1.967 177.918 176.000 -0.082 0.000 0.978 364 Q CA 2.200 57.867 55.803 -0.228 0.000 0.844 364 Q CB -0.349 28.108 28.738 -0.468 0.000 0.898 364 Q HN 0.572 8.841 8.270 0.000 0.000 0.426 365 T N 0.215 114.751 114.554 -0.030 0.000 2.777 365 T HA -0.187 4.166 4.350 0.004 0.000 0.266 365 T C 1.479 176.194 174.700 0.026 0.000 1.040 365 T CA 1.236 63.333 62.100 -0.004 0.000 1.141 365 T CB -0.472 68.404 68.868 0.013 0.000 0.868 365 T HN 0.355 8.595 8.240 0.000 0.000 0.444 366 Y N 1.638 121.935 120.300 -0.006 0.000 2.128 366 Y HA -0.127 4.426 4.550 0.004 0.000 0.284 366 Y C 2.016 177.930 175.900 0.024 0.000 1.154 366 Y CA 1.006 59.120 58.100 0.023 0.000 1.149 366 Y CB -0.483 37.999 38.460 0.036 0.000 0.976 366 Y HN 0.162 8.442 8.280 0.000 0.000 0.505 367 I N 0.151 120.796 120.570 0.126 0.000 2.179 367 I HA -0.286 3.886 4.170 0.004 0.000 0.242 367 I C 1.501 177.607 176.117 -0.019 0.000 1.088 367 I CA 1.464 62.793 61.300 0.049 0.000 1.357 367 I CB -0.335 37.691 38.000 0.043 0.000 1.051 367 I HN 0.041 8.251 8.210 0.000 0.000 0.409 368 R N -0.510 119.971 120.500 -0.033 0.000 3.732 368 R HA 0.096 4.438 4.340 0.004 0.000 0.258 368 R C 0.514 176.779 176.300 -0.058 0.000 1.661 368 R CA -0.096 55.983 56.100 -0.035 0.000 1.424 368 R CB 0.164 30.442 30.300 -0.036 0.000 1.308 368 R HN 0.470 8.740 8.270 0.000 0.000 0.634 369 C N -1.414 117.822 119.300 -0.106 0.000 3.897 369 C HA 0.203 4.666 4.460 0.004 0.000 0.522 369 C C 1.208 176.090 174.990 -0.181 0.000 1.127 369 C CA -0.111 58.829 59.018 -0.129 0.000 2.479 369 C CB 0.643 28.302 27.740 -0.136 0.000 3.370 369 C HN 0.397 8.627 8.230 0.000 0.000 0.424 370 R N 0.179 120.474 120.500 -0.341 0.000 2.404 370 R HA 0.250 4.592 4.340 0.004 0.000 0.237 370 R C -0.185 176.051 176.300 -0.106 0.000 0.907 370 R CA 0.060 55.963 56.100 -0.329 0.000 1.063 370 R CB -0.738 29.117 30.300 -0.742 0.000 1.134 370 R HN 0.620 8.890 8.270 0.000 0.000 0.529 371 H N 2.574 121.535 119.070 -0.180 0.000 2.761 371 H HA 0.283 4.842 4.556 0.004 0.000 0.284 371 H C -2.183 173.141 175.328 -0.008 0.000 1.105 371 H CA -1.787 54.212 56.048 -0.082 0.000 1.352 371 H CB 0.835 30.499 29.762 -0.163 0.000 1.423 371 H HN -0.172 8.108 8.280 0.000 0.000 0.464 372 P HA 0.096 4.516 4.420 0.000 0.000 0.268 372 P C -2.490 174.775 177.300 -0.059 0.000 1.205 372 P CA -0.971 62.064 63.100 -0.108 0.000 0.771 372 P CB 0.432 32.069 31.700 -0.104 0.000 0.858 373 P HA 0.206 4.626 4.420 0.000 0.000 0.274 373 P C -1.841 175.474 177.300 0.026 0.000 1.237 373 P CA -0.830 62.293 63.100 0.037 0.000 0.793 373 P CB -0.673 31.043 31.700 0.025 0.000 0.977 379 L N 0.449 121.665 121.223 -0.011 0.000 2.042 379 L HA -0.182 4.160 4.340 0.004 0.000 0.210 379 L C 2.376 179.238 176.870 -0.013 0.000 1.076 379 L CA 2.282 57.085 54.840 -0.062 0.000 0.749 379 L CB -0.593 41.348 42.059 -0.195 0.000 0.893 379 L HN 0.345 8.575 8.230 0.000 0.000 0.432 380 Y N 0.276 120.532 120.300 -0.072 0.000 2.145 380 Y HA -0.228 4.325 4.550 0.004 0.000 0.286 380 Y C 2.405 178.287 175.900 -0.031 0.000 1.145 380 Y CA 1.894 59.966 58.100 -0.047 0.000 1.148 380 Y CB -0.694 37.749 38.460 -0.028 0.000 0.981 380 Y HN 0.254 8.534 8.280 0.000 0.000 0.507 381 A N 0.227 123.030 122.820 -0.029 0.000 1.933 381 A HA -0.198 4.125 4.320 0.004 0.000 0.218 381 A C 2.220 179.722 177.584 -0.137 0.000 1.175 381 A CA 1.910 53.882 52.037 -0.109 0.000 0.628 381 A CB -0.560 18.440 19.000 0.000 0.000 0.814 381 A HN 0.536 8.686 8.150 0.000 0.000 0.444 382 K N -0.940 119.402 120.400 -0.096 0.000 2.097 382 K HA -0.049 4.274 4.320 0.004 0.000 0.205 382 K C 2.056 178.588 176.600 -0.114 0.000 1.050 382 K CA 1.616 57.850 56.287 -0.087 0.000 0.938 382 K CB -0.268 32.191 32.500 -0.068 0.000 0.718 382 K HN 0.517 8.767 8.250 0.000 0.000 0.442 383 M N 0.450 119.955 119.600 -0.157 0.000 2.132 383 M HA -0.143 4.340 4.480 0.004 0.000 0.263 383 M C 1.958 178.148 176.300 -0.183 0.000 1.065 383 M CA 1.141 56.347 55.300 -0.157 0.000 1.122 383 M CB -0.200 32.305 32.600 -0.159 0.000 1.365 383 M HN 0.071 8.361 8.290 0.000 0.000 0.411 384 I N 0.289 120.673 120.570 -0.310 0.000 2.286 384 I HA -0.251 3.922 4.170 0.004 0.000 0.248 384 I C 2.461 178.504 176.117 -0.123 0.000 1.115 384 I CA 1.551 62.691 61.300 -0.267 0.000 1.392 384 I CB -1.355 36.423 38.000 -0.369 0.000 1.065 384 I HN 0.346 8.556 8.210 0.000 0.000 0.418 385 Q N 1.424 121.165 119.800 -0.098 0.000 2.170 385 Q HA -0.173 4.169 4.340 0.004 0.000 0.203 385 Q C 2.048 178.057 176.000 0.015 0.000 0.976 385 Q CA 1.589 57.370 55.803 -0.037 0.000 0.858 385 Q CB -0.076 28.643 28.738 -0.032 0.000 0.907 385 Q HN 0.204 8.474 8.270 0.000 0.000 0.433 386 K N -0.046 120.371 120.400 0.028 0.000 2.148 386 K HA -0.041 4.281 4.320 0.004 0.000 0.204 386 K C 2.005 178.714 176.600 0.182 0.000 1.050 386 K CA 0.805 57.195 56.287 0.172 0.000 0.942 386 K CB -0.256 32.313 32.500 0.114 0.000 0.724 386 K HN 0.335 8.585 8.250 0.000 0.000 0.446 387 L N 0.244 121.501 121.223 0.056 0.000 2.141 387 L HA -0.129 4.213 4.340 0.004 0.000 0.209 387 L C 2.483 179.353 176.870 -0.001 0.000 1.094 387 L CA 1.055 55.905 54.840 0.017 0.000 0.763 387 L CB -0.529 41.519 42.059 -0.017 0.000 0.908 387 L HN 0.071 8.301 8.230 0.000 0.000 0.437 388 A N -0.122 122.700 122.820 0.003 0.000 1.897 388 A HA -0.193 4.129 4.320 0.004 0.000 0.215 388 A C 1.892 179.475 177.584 -0.003 0.000 1.181 388 A CA 1.671 53.706 52.037 -0.004 0.000 0.620 388 A CB -0.423 18.576 19.000 -0.002 0.000 0.821 388 A HN 0.320 8.470 8.150 0.000 0.000 0.443 389 D N -0.106 120.313 120.400 0.032 0.000 2.149 389 D HA -0.128 4.514 4.640 0.004 0.000 0.198 389 D C 1.693 177.930 176.300 -0.106 0.000 0.990 389 D CA 0.787 54.804 54.000 0.028 0.000 0.839 389 D CB -0.292 40.623 40.800 0.192 0.000 0.948 389 D HN 0.236 8.606 8.370 0.000 0.000 0.460 390 L N 0.994 122.120 121.223 -0.162 0.000 2.131 390 L HA -0.092 4.251 4.340 0.004 0.000 0.210 390 L C 2.225 178.998 176.870 -0.162 0.000 1.092 390 L CA 1.304 55.972 54.840 -0.287 0.000 0.759 390 L CB -0.571 41.351 42.059 -0.228 0.000 0.903 390 L HN -0.060 8.170 8.230 0.000 0.000 0.435 391 R N -1.316 119.131 120.500 -0.088 0.000 2.096 391 R HA -0.088 4.255 4.340 0.004 0.000 0.235 391 R C 2.443 178.714 176.300 -0.049 0.000 1.127 391 R CA 1.335 57.403 56.100 -0.053 0.000 0.968 391 R CB -1.210 29.072 30.300 -0.029 0.000 0.861 391 R HN 0.359 8.629 8.270 0.000 0.000 0.440 392 S N 0.775 116.444 115.700 -0.052 0.000 2.368 392 S HA -0.031 4.441 4.470 0.004 0.000 0.224 392 S C 2.070 176.638 174.600 -0.053 0.000 1.029 392 S CA 0.768 58.944 58.200 -0.039 0.000 0.988 392 S CB -0.092 63.092 63.200 -0.027 0.000 0.838 392 S HN 0.217 8.527 8.310 0.000 0.000 0.462 393 L N 1.780 122.942 121.223 -0.102 0.000 2.093 393 L HA -0.085 4.257 4.340 0.004 0.000 0.208 393 L C 2.707 179.532 176.870 -0.075 0.000 1.085 393 L CA 1.241 56.011 54.840 -0.117 0.000 0.755 393 L CB -0.684 41.234 42.059 -0.236 0.000 0.904 393 L HN 0.383 8.613 8.230 0.000 0.000 0.435 394 N N 0.162 118.817 118.700 -0.074 0.000 2.058 394 N HA -0.210 4.532 4.740 0.004 0.000 0.191 394 N C 1.756 177.284 175.510 0.029 0.000 1.037 394 N CA 1.472 54.512 53.050 -0.018 0.000 0.848 394 N CB 0.031 38.503 38.487 -0.024 0.000 1.021 394 N HN 0.215 8.595 8.380 0.000 0.000 0.422 395 E N 0.634 120.837 120.200 0.006 0.000 2.077 395 E HA -0.191 4.161 4.350 0.004 0.000 0.193 395 E C 1.770 178.375 176.600 0.009 0.000 0.989 395 E CA 0.910 57.317 56.400 0.012 0.000 0.800 395 E CB -0.333 29.369 29.700 0.003 0.000 0.746 395 E HN 0.497 8.857 8.360 0.000 0.000 0.452 396 E N 0.463 120.664 120.200 0.002 0.000 2.072 396 E HA -0.183 4.169 4.350 0.004 0.000 0.191 396 E C 2.085 178.679 176.600 -0.009 0.000 0.985 396 E CA 1.200 57.598 56.400 -0.002 0.000 0.801 396 E CB -0.350 29.347 29.700 -0.005 0.000 0.750 396 E HN 0.376 8.736 8.360 0.000 0.000 0.452 397 H N -0.476 118.541 119.070 -0.088 0.000 2.387 397 H HA -0.079 4.479 4.556 0.004 0.000 0.299 397 H C 2.001 177.297 175.328 -0.053 0.000 1.090 397 H CA 1.703 57.674 56.048 -0.128 0.000 1.332 397 H CB -0.088 29.531 29.762 -0.239 0.000 1.386 397 H HN 0.272 8.552 8.280 0.000 0.000 0.516 398 S N 0.034 115.684 115.700 -0.084 0.000 2.368 398 S HA -0.111 4.361 4.470 0.004 0.000 0.225 398 S C 2.130 176.697 174.600 -0.054 0.000 1.030 398 S CA 1.325 59.495 58.200 -0.050 0.000 0.999 398 S CB -0.043 63.183 63.200 0.043 0.000 0.844 398 S HN 0.456 8.766 8.310 0.000 0.000 0.459 399 K N 0.427 120.799 120.400 -0.048 0.000 2.026 399 K HA -0.088 4.234 4.320 0.004 0.000 0.208 399 K C 2.571 179.119 176.600 -0.087 0.000 1.048 399 K CA 1.650 57.910 56.287 -0.045 0.000 0.929 399 K CB -0.193 32.295 32.500 -0.020 0.000 0.713 399 K HN 0.508 8.758 8.250 0.000 0.000 0.439 400 Q N -0.656 119.090 119.800 -0.090 0.000 2.172 400 Q HA -0.174 4.169 4.340 0.004 0.000 0.200 400 Q C 1.914 177.787 176.000 -0.212 0.000 0.964 400 Q CA 1.226 56.972 55.803 -0.096 0.000 0.855 400 Q CB -0.118 28.671 28.738 0.086 0.000 0.918 400 Q HN 0.388 8.658 8.270 0.000 0.000 0.444 401 Y N 1.705 121.783 120.300 -0.371 0.000 2.181 401 Y HA -0.237 4.315 4.550 0.004 0.000 0.288 401 Y C 2.478 178.174 175.900 -0.341 0.000 1.146 401 Y CA 1.733 59.598 58.100 -0.393 0.000 1.164 401 Y CB -0.050 38.125 38.460 -0.475 0.000 0.982 401 Y HN -0.075 8.205 8.280 0.000 0.000 0.515 402 R N -0.404 119.934 120.500 -0.270 0.000 2.091 402 R HA -0.226 4.116 4.340 0.004 0.000 0.238 402 R C 2.548 178.303 176.300 -0.909 0.000 1.136 402 R CA 1.851 57.668 56.100 -0.471 0.000 0.959 402 R CB -1.246 28.893 30.300 -0.268 0.000 0.856 402 R HN 0.582 8.852 8.270 0.000 0.000 0.437 403 C N 0.509 119.447 119.300 -0.604 0.000 2.429 403 C HA -0.049 4.413 4.460 0.004 0.000 0.277 403 C C 2.587 177.308 174.990 -0.449 0.000 1.262 403 C CA 0.704 59.428 59.018 -0.489 0.000 1.733 403 C CB -1.144 26.490 27.740 -0.178 0.000 2.010 403 C HN 0.686 8.916 8.230 0.000 0.000 0.483 404 L N 2.271 123.212 121.223 -0.470 0.000 2.083 404 L HA -0.055 4.288 4.340 0.004 0.000 0.209 404 L C 2.751 179.357 176.870 -0.441 0.000 1.083 404 L CA 2.810 57.396 54.840 -0.425 0.000 0.752 404 L CB -0.836 40.922 42.059 -0.501 0.000 0.899 404 L HN 0.585 8.815 8.230 0.000 0.000 0.433 405 S N -1.536 113.774 115.700 -0.650 0.000 2.469 405 S HA -0.151 4.322 4.470 0.004 0.000 0.238 405 S C 1.858 176.333 174.600 -0.208 0.000 0.998 405 S CA 0.945 58.843 58.200 -0.504 0.000 0.957 405 S CB -1.183 61.666 63.200 -0.585 0.000 0.764 405 S HN 0.552 8.862 8.310 0.000 0.000 0.514 406 F N 0.793 120.648 119.950 -0.159 0.000 2.780 406 F HA 0.256 4.785 4.527 0.004 0.000 0.299 406 F C 1.469 177.214 175.800 -0.092 0.000 1.146 406 F CA -0.457 57.481 58.000 -0.102 0.000 1.428 406 F CB 0.002 38.950 39.000 -0.086 0.000 1.115 406 F HN 0.255 8.555 8.300 0.000 0.000 0.583 407 Q N 2.322 122.149 119.800 0.046 0.000 2.293 407 Q HA 0.193 4.535 4.340 0.004 0.000 0.263 407 Q C -2.446 173.553 176.000 -0.000 0.000 1.002 407 Q CA -2.193 53.614 55.803 0.007 0.000 0.910 407 Q CB 0.659 29.369 28.738 -0.046 0.000 1.185 407 Q HN -0.103 8.167 8.270 0.000 0.000 0.401 408 P HA -0.063 4.357 4.420 0.000 0.000 0.264 408 P C -0.695 176.600 177.300 -0.007 0.000 1.183 408 P CA 0.549 63.650 63.100 0.002 0.000 0.763 408 P CB 0.554 32.254 31.700 -0.000 0.000 0.807 409 E N -0.796 119.400 120.200 -0.006 0.000 3.927 409 E HA -0.251 4.102 4.350 0.004 0.000 0.330 409 E C 1.090 177.680 176.600 -0.016 0.000 0.751 409 E CA 0.669 57.065 56.400 -0.007 0.000 1.254 409 E CB -2.189 27.508 29.700 -0.005 0.000 1.643 409 E HN 0.588 8.948 8.360 0.000 0.000 0.430 410 C N 1.049 120.331 119.300 -0.030 0.000 2.425 410 C HA -0.138 4.324 4.460 0.004 0.000 0.277 410 C C 3.063 178.032 174.990 -0.034 0.000 1.280 410 C CA 1.827 60.814 59.018 -0.052 0.000 1.744 410 C CB -1.098 26.580 27.740 -0.102 0.000 1.989 410 C HN 0.712 8.942 8.230 0.000 0.000 0.491 411 S N 1.185 116.873 115.700 -0.019 0.000 2.383 411 S HA -0.240 4.233 4.470 0.004 0.000 0.229 411 S C 1.765 176.372 174.600 0.012 0.000 1.030 411 S CA 2.165 60.369 58.200 0.006 0.000 1.002 411 S CB -0.729 62.480 63.200 0.015 0.000 0.829 411 S HN 0.741 9.051 8.310 0.000 0.000 0.467 412 M N 0.841 120.444 119.600 0.006 0.000 2.296 412 M HA 0.048 4.530 4.480 0.004 0.000 0.265 412 M C 1.981 178.286 176.300 0.008 0.000 1.064 412 M CA 1.266 56.571 55.300 0.009 0.000 1.109 412 M CB -0.570 32.034 32.600 0.008 0.000 1.396 412 M HN 0.257 8.547 8.290 0.000 0.000 0.430 413 K N 0.434 120.836 120.400 0.003 0.000 2.459 413 K HA 0.213 4.536 4.320 0.004 0.000 0.193 413 K C 0.855 177.457 176.600 0.003 0.000 1.030 413 K CA 0.245 56.532 56.287 0.001 0.000 1.026 413 K CB 0.202 32.697 32.500 -0.008 0.000 0.809 413 K HN 0.312 8.562 8.250 0.000 0.000 0.504 414 L N -0.176 121.057 121.223 0.016 0.000 2.994 414 L HA 0.312 4.655 4.340 0.004 0.000 0.198 414 L C 0.723 177.605 176.870 0.020 0.000 1.530 414 L CA -0.723 54.139 54.840 0.037 0.000 1.565 414 L CB 0.760 42.876 42.059 0.094 0.000 2.470 414 L HN 0.017 8.247 8.230 0.000 0.000 0.564 415 T N -4.934 109.637 114.554 0.028 0.000 2.883 415 T HA 0.373 4.726 4.350 0.004 0.000 0.301 415 T C -2.486 172.223 174.700 0.015 0.000 1.158 415 T CA -1.586 60.518 62.100 0.007 0.000 1.007 415 T CB 1.810 70.664 68.868 -0.022 0.000 1.186 415 T HN 0.117 8.357 8.240 0.000 0.000 0.499 416 P HA -0.046 4.374 4.420 0.000 0.000 0.216 416 P C 1.643 178.932 177.300 -0.018 0.000 1.150 416 P CA 0.400 63.500 63.100 0.001 0.000 0.843 416 P CB 0.035 31.733 31.700 -0.003 0.000 0.787 417 L N -0.775 120.427 121.223 -0.035 0.000 2.056 417 L HA -0.100 4.242 4.340 0.004 0.000 0.207 417 L C 2.159 178.966 176.870 -0.106 0.000 1.078 417 L CA 1.755 56.552 54.840 -0.072 0.000 0.749 417 L CB -1.134 40.881 42.059 -0.074 0.000 0.901 417 L HN -0.197 8.033 8.230 0.000 0.000 0.433 418 V N -0.344 119.542 119.914 -0.046 0.000 2.343 418 V HA -0.300 3.822 4.120 0.004 0.000 0.247 418 V C 2.580 178.689 176.094 0.025 0.000 1.051 418 V CA 1.967 64.273 62.300 0.011 0.000 1.036 418 V CB -0.504 31.409 31.823 0.149 0.000 0.654 418 V HN 0.430 8.620 8.190 0.000 0.000 0.451 419 L N -0.268 120.997 121.223 0.070 0.000 2.042 419 L HA -0.215 4.128 4.340 0.004 0.000 0.210 419 L C 2.635 179.513 176.870 0.014 0.000 1.076 419 L CA 2.040 56.947 54.840 0.112 0.000 0.749 419 L CB -0.521 41.593 42.059 0.092 0.000 0.893 419 L HN 0.436 8.665 8.230 0.000 0.000 0.432 420 E N 0.041 120.208 120.200 -0.055 0.000 2.046 420 E HA -0.172 4.181 4.350 0.004 0.000 0.190 420 E C 2.251 178.740 176.600 -0.186 0.000 0.982 420 E CA 1.345 57.691 56.400 -0.089 0.000 0.800 420 E CB 0.161 29.811 29.700 -0.084 0.000 0.756 420 E HN 0.252 8.612 8.360 0.000 0.000 0.449 421 V N 0.380 120.092 119.914 -0.337 0.000 2.343 421 V HA -0.232 3.890 4.120 0.004 0.000 0.247 421 V C 1.872 177.545 176.094 -0.701 0.000 1.051 421 V CA 1.774 63.726 62.300 -0.581 0.000 1.036 421 V CB -0.487 30.811 31.823 -0.874 0.000 0.654 421 V HN 0.286 8.476 8.190 0.000 0.000 0.451 422 F N -0.178 119.592 119.950 -0.300 0.000 2.749 422 F HA 0.402 4.931 4.527 0.004 0.000 0.300 422 F C 1.622 177.210 175.800 -0.353 0.000 1.103 422 F CA 0.171 57.855 58.000 -0.528 0.000 1.342 422 F CB -0.163 38.080 39.000 -1.263 0.000 1.098 422 F HN 0.194 8.494 8.300 0.000 0.000 0.586 423 G N 0.000 108.790 108.800 -0.016 0.000 5.446 423 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 423 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 423 G CA 0.000 45.176 45.100 0.126 0.000 0.502 423 G HN 0.000 8.290 8.290 0.000 0.000 0.925