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 1sig_1_A DATA FIRST_RESID 113 DATA SEQUENCE MEGEIDIAKR IEDGINQVQC SVAEYPEAIT YLLEQYNRVE AEEARLSDLI DATA SEQUENCE TGFVDXXXXX DLAPTATHVG SELSQEDLDX XXXXXXXXXX XXXXXXXXXI DATA SEQUENCE DPELAREKFA ELRAQYVVTR DTIKAXXXXH ATAQEEILKL SEVFKQFRLV DATA SEQUENCE PKQFDYLVNS MRVMMDRVRT QERLIMKLCV EQCKMPKKNF ITLFTGNETS DATA SEQUENCE DTWFNAAIAM NKPWSEKLHD VSEEVHRALQ KLQQIEEETG LTIEQVKDIN DATA SEQUENCE RRMSIGEAKA RRAKKEMVEA NLRLVISIAK KYTNRGLQFL DLIQEGNIGL DATA SEQUENCE MKAVDKFEYR RGYKFSTYAT WWIRQAITRS IADQ 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 113 M HA 0.000 nan 4.480 nan 0.000 0.227 113 M C 0.000 176.334 176.300 0.057 0.000 1.140 113 M CA 0.000 55.346 55.300 0.077 0.000 0.988 113 M CB 0.000 32.649 32.600 0.082 0.000 1.302 114 E N 0.101 120.337 120.200 0.059 0.000 2.433 114 E HA 0.279 4.629 4.350 -0.000 0.000 0.264 114 E C 0.143 176.747 176.600 0.008 0.000 0.960 114 E CA -0.147 56.271 56.400 0.030 0.000 0.866 114 E CB 3.411 33.127 29.700 0.027 0.000 1.615 114 E HN 0.109 8.518 8.360 0.082 0.000 0.442 115 G N -0.461 108.332 108.800 -0.011 0.000 3.186 115 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 115 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 115 G C 0.187 175.057 174.900 -0.051 0.000 1.222 115 G CA 0.942 46.021 45.100 -0.035 0.000 0.921 115 G HN 0.553 8.839 8.290 -0.007 0.000 0.504 116 E N 0.286 120.461 120.200 -0.041 0.000 2.481 116 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 116 E C 1.469 178.042 176.600 -0.045 0.000 1.047 116 E CA 1.309 57.659 56.400 -0.082 0.000 0.867 116 E CB -0.062 29.573 29.700 -0.109 0.000 0.858 116 E HN 0.376 8.556 8.360 -0.012 0.173 0.513 117 I N -0.258 120.288 120.570 -0.040 0.000 2.584 117 I HA -0.374 3.796 4.170 -0.000 0.000 0.255 117 I C 1.120 177.095 176.117 -0.237 0.000 1.145 117 I CA 4.279 65.503 61.300 -0.127 0.000 1.462 117 I CB 0.093 38.010 38.000 -0.138 0.000 1.102 117 I HN -0.261 7.866 8.210 -0.033 0.064 0.433 118 D N 0.310 120.619 120.400 -0.151 0.000 2.183 118 D HA -0.235 4.405 4.640 -0.000 0.000 0.203 118 D C 2.228 178.459 176.300 -0.113 0.000 0.969 118 D CA 4.445 58.361 54.000 -0.139 0.000 0.842 118 D CB -0.312 40.432 40.800 -0.093 0.000 0.957 118 D HN 0.012 8.184 8.370 -0.107 0.134 0.484 119 I N -0.547 119.964 120.570 -0.097 0.000 2.233 119 I HA -0.445 3.725 4.170 -0.000 0.000 0.243 119 I C 1.226 177.305 176.117 -0.064 0.000 1.093 119 I CA 3.446 64.698 61.300 -0.081 0.000 1.380 119 I CB -0.109 37.831 38.000 -0.100 0.000 1.067 119 I HN -0.729 7.422 8.210 -0.097 0.000 0.413 120 A N -0.047 122.741 122.820 -0.053 0.000 1.903 120 A HA -0.425 3.895 4.320 -0.000 0.000 0.219 120 A C 1.954 179.544 177.584 0.010 0.000 1.191 120 A CA 3.498 55.560 52.037 0.042 0.000 0.638 120 A CB -1.001 18.100 19.000 0.168 0.000 0.823 120 A HN -0.353 7.648 8.150 -0.070 0.107 0.451 121 K N -3.662 116.631 120.400 -0.178 0.000 2.283 121 K HA -0.288 4.032 4.320 -0.000 0.000 0.202 121 K C 2.660 179.245 176.600 -0.026 0.000 1.048 121 K CA 2.969 59.188 56.287 -0.114 0.000 0.948 121 K CB -0.203 32.149 32.500 -0.246 0.000 0.742 121 K HN 0.242 8.214 8.250 -0.282 0.109 0.458 122 R N -0.099 120.377 120.500 -0.040 0.000 2.093 122 R HA -0.189 4.151 4.340 -0.000 0.000 0.224 122 R C 2.301 178.594 176.300 -0.011 0.000 1.101 122 R CA 2.983 59.067 56.100 -0.027 0.000 0.979 122 R CB 0.026 30.304 30.300 -0.037 0.000 0.877 122 R HN -0.134 7.933 8.270 -0.061 0.166 0.441 123 I N 1.009 121.579 120.570 -0.000 0.000 2.142 123 I HA -0.600 3.570 4.170 -0.000 0.000 0.240 123 I C 1.653 177.777 176.117 0.013 0.000 1.078 123 I CA 4.405 65.710 61.300 0.008 0.000 1.343 123 I CB -0.304 37.714 38.000 0.029 0.000 1.046 123 I HN 0.325 8.533 8.210 -0.002 0.000 0.405 124 E N -1.356 118.870 120.200 0.042 0.000 2.085 124 E HA -0.457 3.893 4.350 -0.000 0.000 0.194 124 E C 2.426 179.032 176.600 0.010 0.000 0.994 124 E CA 3.546 59.970 56.400 0.038 0.000 0.801 124 E CB -0.443 29.323 29.700 0.109 0.000 0.743 124 E HN -0.268 8.133 8.360 0.068 0.000 0.453 125 D N -0.910 119.496 120.400 0.011 0.000 2.117 125 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 125 D C 2.391 178.680 176.300 -0.018 0.000 0.982 125 D CA 3.088 57.087 54.000 -0.003 0.000 0.828 125 D CB -0.122 40.676 40.800 -0.003 0.000 0.967 125 D HN -0.605 7.777 8.370 0.019 0.000 0.464 126 G N -1.122 107.665 108.800 -0.021 0.000 2.408 126 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 126 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 126 G C 1.472 176.344 174.900 -0.047 0.000 1.150 126 G CA 1.973 47.054 45.100 -0.031 0.000 0.776 126 G HN -0.386 7.895 8.290 -0.015 0.000 0.542 127 I N 0.940 121.478 120.570 -0.054 0.000 2.439 127 I HA -0.519 3.651 4.170 -0.000 0.000 0.251 127 I C 1.502 177.548 176.117 -0.118 0.000 1.139 127 I CA 3.427 64.670 61.300 -0.094 0.000 1.438 127 I CB -0.289 37.654 38.000 -0.095 0.000 1.085 127 I HN -0.235 7.857 8.210 -0.038 0.094 0.427 128 N N 0.603 119.258 118.700 -0.075 0.000 2.188 128 N HA -0.344 4.396 4.740 -0.000 0.000 0.184 128 N C 2.234 177.716 175.510 -0.047 0.000 1.018 128 N CA 3.535 56.549 53.050 -0.060 0.000 0.858 128 N CB -0.209 38.262 38.487 -0.027 0.000 0.989 128 N HN -0.372 7.886 8.380 -0.053 0.090 0.426 129 Q N 0.097 119.872 119.800 -0.041 0.000 2.135 129 Q HA -0.372 3.968 4.340 -0.000 0.000 0.204 129 Q C 2.195 178.172 176.000 -0.038 0.000 0.981 129 Q CA 3.588 59.373 55.803 -0.031 0.000 0.856 129 Q CB -0.041 28.678 28.738 -0.030 0.000 0.902 129 Q HN -0.370 7.875 8.270 -0.041 0.000 0.425 130 V N -0.144 119.730 119.914 -0.068 0.000 2.379 130 V HA -0.412 3.708 4.120 -0.000 0.000 0.245 130 V C 2.086 178.136 176.094 -0.073 0.000 1.044 130 V CA 4.429 66.681 62.300 -0.080 0.000 1.036 130 V CB -0.899 30.854 31.823 -0.117 0.000 0.664 130 V HN -0.473 7.655 8.190 -0.080 0.014 0.453 131 Q N -1.002 118.721 119.800 -0.128 0.000 2.124 131 Q HA -0.366 3.974 4.340 -0.000 0.000 0.202 131 Q C 2.301 178.375 176.000 0.125 0.000 0.977 131 Q CA 3.414 59.181 55.803 -0.060 0.000 0.850 131 Q CB -0.280 28.362 28.738 -0.160 0.000 0.901 131 Q HN -0.361 7.742 8.270 -0.160 0.071 0.429 132 C N -1.763 117.575 119.300 0.063 0.000 2.450 132 C HA -0.174 4.286 4.460 -0.000 0.000 0.279 132 C C 1.623 176.652 174.990 0.066 0.000 1.335 132 C CA 3.136 62.203 59.018 0.081 0.000 1.749 132 C CB -1.509 26.257 27.740 0.042 0.000 1.963 132 C HN 0.335 8.373 8.230 0.012 0.199 0.501 133 S N 0.189 115.912 115.700 0.037 0.000 2.387 133 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 133 S C 2.142 176.760 174.600 0.030 0.000 1.026 133 S CA 3.217 61.426 58.200 0.016 0.000 0.972 133 S CB -0.172 63.017 63.200 -0.018 0.000 0.814 133 S HN -0.521 7.683 8.310 0.021 0.119 0.477 134 V N 2.791 122.756 119.914 0.085 0.000 2.295 134 V HA -0.377 3.743 4.120 -0.000 0.000 0.246 134 V C 1.699 177.800 176.094 0.012 0.000 1.049 134 V CA 4.154 66.533 62.300 0.131 0.000 1.024 134 V CB -1.087 30.978 31.823 0.403 0.000 0.648 134 V HN 0.100 8.270 8.190 0.102 0.082 0.447 135 A N -2.818 120.044 122.820 0.070 0.000 2.186 135 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 135 A C 1.265 178.758 177.584 -0.152 0.000 1.159 135 A CA 3.029 54.994 52.037 -0.119 0.000 0.680 135 A CB -0.767 18.373 19.000 0.234 0.000 0.787 135 A HN -0.000 8.283 8.150 0.222 0.000 0.467 136 E N -3.169 117.000 120.200 -0.052 0.000 2.472 136 E HA -0.036 4.314 4.350 -0.000 0.000 0.196 136 E C -0.149 176.451 176.600 -0.002 0.000 1.033 136 E CA -0.214 56.170 56.400 -0.028 0.000 0.886 136 E CB 0.711 30.416 29.700 0.009 0.000 0.944 136 E HN -0.595 7.562 8.360 -0.006 0.200 0.492 137 Y N 2.799 122.990 120.300 -0.181 0.000 2.425 137 Y HA 0.229 4.779 4.550 -0.000 0.000 0.347 137 Y C -1.568 174.202 175.900 -0.217 0.000 0.976 137 Y CA -2.230 55.773 58.100 -0.161 0.000 1.190 137 Y CB 0.099 38.489 38.460 -0.117 0.000 1.136 137 Y HN -0.037 8.071 8.280 0.021 0.184 0.517 138 P HA -0.316 4.104 4.420 -0.000 0.000 0.216 138 P C 0.939 178.060 177.300 -0.299 0.000 1.150 138 P CA 2.675 65.569 63.100 -0.344 0.000 0.843 138 P CB 0.281 31.781 31.700 -0.333 0.000 0.787 139 E N -3.460 116.529 120.200 -0.351 0.000 2.268 139 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 139 E C 1.749 178.407 176.600 0.097 0.000 0.995 139 E CA 2.422 58.756 56.400 -0.111 0.000 0.836 139 E CB -0.611 29.021 29.700 -0.113 0.000 0.763 139 E HN 0.384 8.311 8.360 -0.692 0.019 0.491 140 A N -0.053 122.823 122.820 0.094 0.000 1.968 140 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 140 A C 1.781 179.456 177.584 0.152 0.000 1.169 140 A CA 3.472 55.601 52.037 0.153 0.000 0.638 140 A CB -0.642 18.346 19.000 -0.020 0.000 0.812 140 A HN 0.002 8.009 8.150 0.026 0.158 0.446 141 I N -2.114 118.394 120.570 -0.103 0.000 2.162 141 I HA -0.375 3.795 4.170 -0.000 0.000 0.238 141 I C 2.127 178.324 176.117 0.134 0.000 1.076 141 I CA 2.605 63.899 61.300 -0.010 0.000 1.353 141 I CB -1.482 36.372 38.000 -0.244 0.000 1.063 141 I HN -0.882 7.080 8.210 -0.211 0.121 0.408 142 T N 0.503 115.101 114.554 0.074 0.000 2.635 142 T HA -0.444 3.906 4.350 -0.000 0.000 0.267 142 T C 1.632 176.472 174.700 0.234 0.000 1.040 142 T CA 3.926 66.162 62.100 0.227 0.000 1.156 142 T CB -0.621 68.370 68.868 0.204 0.000 0.863 142 T HN -0.345 7.860 8.240 -0.058 0.000 0.430 143 Y N 2.531 122.901 120.300 0.116 0.000 2.181 143 Y HA -0.440 4.110 4.550 -0.000 0.000 0.284 143 Y C 1.259 177.209 175.900 0.082 0.000 1.179 143 Y CA 3.043 61.202 58.100 0.098 0.000 1.179 143 Y CB -0.188 38.350 38.460 0.130 0.000 0.973 143 Y HN -0.410 8.072 8.280 0.337 0.000 0.519 144 L N -1.689 119.608 121.223 0.123 0.000 2.093 144 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 144 L C 1.491 178.365 176.870 0.007 0.000 1.085 144 L CA 2.568 57.409 54.840 0.001 0.000 0.755 144 L CB -0.354 41.764 42.059 0.098 0.000 0.904 144 L HN -0.527 7.771 8.230 0.312 0.119 0.435 145 L N -3.041 118.240 121.223 0.097 0.000 2.313 145 L HA -0.346 3.994 4.340 -0.000 0.000 0.214 145 L C 2.346 179.233 176.870 0.029 0.000 1.119 145 L CA 2.537 57.451 54.840 0.123 0.000 0.809 145 L CB -0.477 41.704 42.059 0.203 0.000 0.933 145 L HN -0.429 7.803 8.230 0.151 0.088 0.449 146 E N -0.571 119.610 120.200 -0.031 0.000 2.158 146 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 146 E C 1.672 178.162 176.600 -0.184 0.000 0.982 146 E CA 2.546 58.898 56.400 -0.080 0.000 0.823 146 E CB -0.095 29.575 29.700 -0.050 0.000 0.766 146 E HN -0.277 7.931 8.360 -0.016 0.142 0.468 147 Q N -3.867 115.749 119.800 -0.308 0.000 2.389 147 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 147 Q C 1.474 177.321 176.000 -0.255 0.000 0.944 147 Q CA 1.204 56.792 55.803 -0.359 0.000 0.908 147 Q CB 0.456 28.853 28.738 -0.569 0.000 1.002 147 Q HN -0.189 7.858 8.270 -0.334 0.022 0.493 148 Y N 0.378 120.439 120.300 -0.399 0.000 2.420 148 Y HA -0.152 4.398 4.550 -0.000 0.000 0.292 148 Y C -0.191 175.520 175.900 -0.315 0.000 1.119 148 Y CA 1.747 59.535 58.100 -0.520 0.000 1.229 148 Y CB 0.981 38.919 38.460 -0.870 0.000 1.026 148 Y HN -0.705 7.347 8.280 -0.127 0.152 0.554 149 N N -1.658 116.915 118.700 -0.211 0.000 2.416 149 N HA -0.058 4.682 4.740 -0.000 0.000 0.215 149 N C -0.101 175.291 175.510 -0.196 0.000 1.208 149 N CA 1.546 54.483 53.050 -0.189 0.000 0.834 149 N CB -0.422 38.008 38.487 -0.095 0.000 1.072 149 N HN -0.464 7.716 8.380 -0.134 0.119 0.472 150 R N -3.478 116.870 120.500 -0.253 0.000 2.646 150 R HA 0.221 4.561 4.340 -0.000 0.000 0.226 150 R C -0.027 176.129 176.300 -0.241 0.000 0.928 150 R CA 0.897 56.874 56.100 -0.204 0.000 1.010 150 R CB 1.458 31.648 30.300 -0.183 0.000 1.516 150 R HN -0.343 7.542 8.270 -0.333 0.185 0.621 151 V N 1.169 120.865 119.914 -0.363 0.000 2.599 151 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 151 V C 2.435 178.288 176.094 -0.402 0.000 1.046 151 V CA 3.845 65.917 62.300 -0.381 0.000 1.065 151 V CB -0.081 31.450 31.823 -0.486 0.000 0.703 151 V HN -0.018 7.759 8.190 -0.447 0.145 0.464 152 E N 0.536 120.424 120.200 -0.522 0.000 2.435 152 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 152 E C 0.353 176.823 176.600 -0.216 0.000 1.029 152 E CA 2.316 58.492 56.400 -0.373 0.000 0.865 152 E CB 0.013 29.460 29.700 -0.422 0.000 0.833 152 E HN 0.083 8.055 8.360 -0.646 0.000 0.510 153 A N -2.612 120.090 122.820 -0.196 0.000 2.465 153 A HA 0.112 4.432 4.320 -0.000 0.000 0.255 153 A C -1.200 176.316 177.584 -0.113 0.000 1.274 153 A CA -0.580 51.379 52.037 -0.130 0.000 0.920 153 A CB -0.045 18.885 19.000 -0.116 0.000 1.033 153 A HN -0.382 7.583 8.150 -0.235 0.044 0.516 154 E N -2.146 117.975 120.200 -0.132 0.000 2.359 154 E HA -0.379 3.971 4.350 -0.000 0.000 0.157 154 E C -0.775 175.773 176.600 -0.086 0.000 1.718 154 E CA 0.711 57.047 56.400 -0.107 0.000 0.620 154 E CB -1.164 28.487 29.700 -0.082 0.000 1.057 154 E HN -0.434 7.614 8.360 -0.168 0.210 0.322 155 E N 0.494 120.636 120.200 -0.096 0.000 2.441 155 E HA 0.101 4.451 4.350 -0.000 0.000 0.212 155 E C -1.113 175.443 176.600 -0.074 0.000 0.840 155 E CA 0.254 56.609 56.400 -0.075 0.000 1.143 155 E CB 1.988 31.642 29.700 -0.076 0.000 1.153 155 E HN 0.710 8.891 8.360 -0.122 0.106 0.539 156 A N -0.688 122.074 122.820 -0.097 0.000 2.479 156 A HA 0.308 4.628 4.320 -0.000 0.000 0.296 156 A C -1.795 175.737 177.584 -0.086 0.000 1.121 156 A CA -1.195 50.789 52.037 -0.087 0.000 0.743 156 A CB 1.934 20.870 19.000 -0.106 0.000 1.323 156 A HN -0.140 7.846 8.150 -0.122 0.092 0.415 157 R N -0.703 119.763 120.500 -0.056 0.000 2.346 157 R HA 0.219 4.559 4.340 -0.000 0.000 0.311 157 R C 0.982 177.270 176.300 -0.019 0.000 0.983 157 R CA -1.759 54.320 56.100 -0.035 0.000 0.880 157 R CB 0.673 30.964 30.300 -0.016 0.000 1.100 157 R HN 0.407 8.650 8.270 -0.046 0.000 0.453 158 L N 6.312 127.537 121.223 0.004 0.000 2.127 158 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 158 L C 0.284 177.187 176.870 0.055 0.000 1.089 158 L CA 2.724 57.600 54.840 0.059 0.000 0.757 158 L CB -0.291 41.850 42.059 0.135 0.000 0.899 158 L HN 0.671 8.899 8.230 -0.004 0.000 0.434 159 S N -4.786 110.935 115.700 0.035 0.000 2.603 159 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 159 S C 0.350 174.962 174.600 0.019 0.000 0.972 159 S CA 2.036 60.251 58.200 0.026 0.000 0.935 159 S CB -0.866 62.348 63.200 0.024 0.000 0.769 159 S HN 0.033 8.335 8.310 0.029 0.025 0.536 160 D N -1.663 118.746 120.400 0.015 0.000 2.433 160 D HA 0.217 4.857 4.640 -0.000 0.000 0.211 160 D C -0.407 175.897 176.300 0.007 0.000 1.114 160 D CA 0.159 54.167 54.000 0.014 0.000 0.837 160 D CB 1.236 42.041 40.800 0.009 0.000 0.984 160 D HN -0.204 7.971 8.370 0.013 0.203 0.505 161 L N -2.608 118.619 121.223 0.007 0.000 2.435 161 L HA 0.285 4.625 4.340 -0.000 0.000 0.195 161 L C -1.427 175.445 176.870 0.002 0.000 1.072 161 L CA 0.721 55.563 54.840 0.002 0.000 0.833 161 L CB 3.068 45.136 42.059 0.015 0.000 1.081 161 L HN -0.306 7.732 8.230 0.019 0.203 0.485 162 I N -9.294 111.288 120.570 0.020 0.000 3.174 162 I HA 0.357 4.527 4.170 -0.000 0.000 0.313 162 I C -1.089 174.976 176.117 -0.085 0.000 1.155 162 I CA -1.296 59.974 61.300 -0.050 0.000 0.977 162 I CB 3.295 41.256 38.000 -0.066 0.000 1.248 162 I HN -0.289 7.949 8.210 0.046 0.000 0.453 163 T N -0.122 114.345 114.554 -0.145 0.000 3.033 163 T HA 0.193 4.543 4.350 -0.000 0.000 0.248 163 T C -0.279 174.302 174.700 -0.199 0.000 1.040 163 T CA 1.029 63.055 62.100 -0.123 0.000 1.133 163 T CB 0.798 69.613 68.868 -0.088 0.000 0.895 163 T HN 0.520 8.546 8.240 -0.174 0.110 0.465 164 G N -0.087 108.476 108.800 -0.394 0.000 2.435 164 G HA2 0.134 4.094 3.960 -0.000 0.000 0.228 164 G HA3 0.134 4.094 3.960 -0.000 0.000 0.228 164 G C -3.219 171.072 174.900 -1.015 0.000 1.198 164 G CA 0.291 45.071 45.100 -0.533 0.000 0.948 164 G HN -0.890 7.141 8.290 -0.431 0.000 0.487 165 F N -1.967 117.890 119.950 -0.155 0.000 2.588 165 F HA 0.618 5.145 4.527 -0.000 0.000 0.310 165 F C -0.571 175.125 175.800 -0.173 0.000 1.082 165 F CA -1.187 56.665 58.000 -0.246 0.000 0.929 165 F CB 3.542 42.341 39.000 -0.336 0.000 1.254 165 F HN -0.255 7.994 8.300 -0.085 0.000 0.455 166 V N -0.750 119.156 119.914 -0.013 0.000 2.837 166 V HA 0.372 4.492 4.120 -0.000 0.000 0.310 166 V C -0.781 175.299 176.094 -0.023 0.000 1.059 166 V CA -2.487 59.799 62.300 -0.023 0.000 1.004 166 V CB 1.248 33.053 31.823 -0.030 0.000 1.045 166 V HN 0.374 8.426 8.190 -0.047 0.110 0.465 174 L N 0.601 121.786 121.223 -0.064 0.000 2.334 174 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 174 L C -0.262 176.543 176.870 -0.107 0.000 1.020 174 L CA -0.839 53.948 54.840 -0.089 0.000 0.812 174 L CB 1.202 43.221 42.059 -0.068 0.000 1.264 174 L HN 0.141 8.343 8.230 -0.047 0.000 0.439 175 A N 2.284 125.016 122.820 -0.147 0.000 2.462 175 A HA 0.218 4.538 4.320 -0.000 0.000 0.243 175 A C -1.958 175.567 177.584 -0.099 0.000 1.076 175 A CA -1.578 50.365 52.037 -0.156 0.000 0.773 175 A CB -0.672 18.204 19.000 -0.207 0.000 1.010 175 A HN 0.376 8.431 8.150 -0.158 0.000 0.493 176 P HA -0.004 4.416 4.420 -0.000 0.000 0.269 176 P C -1.023 176.237 177.300 -0.068 0.000 1.209 176 P CA 0.456 63.507 63.100 -0.081 0.000 0.776 176 P CB 0.374 32.016 31.700 -0.097 0.000 0.876 177 T N -3.127 111.400 114.554 -0.044 0.000 3.014 177 T HA 0.118 4.468 4.350 -0.000 0.000 0.250 177 T C 1.173 175.868 174.700 -0.008 0.000 1.060 177 T CA 0.110 62.218 62.100 0.013 0.000 1.040 177 T CB 0.205 69.140 68.868 0.112 0.000 0.971 177 T HN 0.129 8.517 8.240 -0.049 -0.177 0.497 178 A N 3.289 126.003 122.820 -0.176 0.000 3.051 178 A HA 0.275 4.595 4.320 -0.000 0.000 0.257 178 A C 0.136 177.629 177.584 -0.152 0.000 1.785 178 A CA -0.310 51.565 52.037 -0.270 0.000 1.420 178 A CB -1.342 17.222 19.000 -0.726 0.000 1.063 178 A HN -0.173 8.102 8.150 -0.265 -0.283 0.630 179 T N -1.522 112.968 114.554 -0.106 0.000 2.977 179 T HA -0.324 4.026 4.350 -0.000 0.000 0.271 179 T C 1.371 176.141 174.700 0.118 0.000 1.105 179 T CA 3.109 65.203 62.100 -0.011 0.000 1.116 179 T CB -0.495 68.386 68.868 0.021 0.000 0.878 179 T HN 0.217 8.309 8.240 -0.124 0.074 0.509 180 H N 0.421 119.497 119.070 0.009 0.000 2.547 180 H HA 0.037 4.593 4.556 -0.000 0.000 0.272 180 H C 0.194 175.518 175.328 -0.007 0.000 0.989 180 H CA -0.072 55.982 56.048 0.010 0.000 1.214 180 H CB -0.329 29.453 29.762 0.034 0.000 1.389 180 H HN -0.157 8.023 8.280 -0.097 0.042 0.577 181 V N -3.106 116.855 119.914 0.078 0.000 2.585 181 V HA -0.026 4.094 4.120 -0.000 0.000 0.296 181 V C 0.530 176.634 176.094 0.017 0.000 1.035 181 V CA 0.671 62.984 62.300 0.022 0.000 1.084 181 V CB -0.651 31.150 31.823 -0.037 0.000 0.953 181 V HN -0.645 7.524 8.190 0.038 0.044 0.483 182 G N 3.858 112.663 108.800 0.008 0.000 2.184 182 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.264 182 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.264 182 G C -0.368 174.535 174.900 0.004 0.000 0.975 182 G CA 0.451 45.551 45.100 0.000 0.000 0.642 182 G HN 0.524 8.819 8.290 0.007 0.000 0.536 183 S N -0.675 115.033 115.700 0.013 0.000 2.564 183 S HA -0.052 4.418 4.470 -0.000 0.000 0.278 183 S C 0.631 175.223 174.600 -0.014 0.000 1.333 183 S CA 0.574 58.775 58.200 0.001 0.000 1.048 183 S CB 1.171 64.369 63.200 -0.003 0.000 0.900 183 S HN -0.633 7.619 8.310 0.028 0.075 0.505 184 E N 6.252 126.442 120.200 -0.016 0.000 2.479 184 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 184 E C -0.337 176.247 176.600 -0.027 0.000 1.049 184 E CA 0.102 56.490 56.400 -0.019 0.000 0.870 184 E CB 0.215 29.907 29.700 -0.013 0.000 0.944 184 E HN 0.369 8.721 8.360 -0.013 0.000 0.492 185 L N 0.719 121.919 121.223 -0.039 0.000 2.426 185 L HA -0.049 4.291 4.340 -0.000 0.000 0.271 185 L C 0.509 177.345 176.870 -0.056 0.000 1.169 185 L CA 0.243 55.053 54.840 -0.050 0.000 0.836 185 L CB 0.703 42.720 42.059 -0.070 0.000 1.112 185 L HN -0.707 7.444 8.230 -0.041 0.054 0.465 186 S N 5.133 120.806 115.700 -0.045 0.000 2.579 186 S HA -0.089 4.381 4.470 -0.000 0.000 0.275 186 S C 0.770 175.337 174.600 -0.055 0.000 1.345 186 S CA -0.090 58.086 58.200 -0.040 0.000 1.031 186 S CB 1.448 64.632 63.200 -0.027 0.000 0.892 186 S HN 0.350 8.637 8.310 -0.037 0.000 0.529 187 Q N 2.169 121.943 119.800 -0.045 0.000 2.308 187 Q HA -0.272 4.068 4.340 -0.000 0.000 0.209 187 Q C 1.931 177.912 176.000 -0.032 0.000 0.985 187 Q CA 3.095 58.873 55.803 -0.043 0.000 0.881 187 Q CB -0.485 28.246 28.738 -0.012 0.000 0.917 187 Q HN 0.799 9.049 8.270 -0.033 0.000 0.443 188 E N -2.895 117.291 120.200 -0.023 0.000 2.112 188 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 188 E C 2.189 178.779 176.600 -0.016 0.000 0.979 188 E CA 2.452 58.845 56.400 -0.011 0.000 0.814 188 E CB -0.475 29.221 29.700 -0.006 0.000 0.762 188 E HN 0.251 8.545 8.360 -0.024 0.052 0.460 189 D N 0.459 120.841 120.400 -0.031 0.000 2.277 189 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 189 D C 1.365 177.634 176.300 -0.052 0.000 0.962 189 D CA 1.986 55.968 54.000 -0.030 0.000 0.865 189 D CB -0.187 40.594 40.800 -0.032 0.000 0.939 189 D HN -0.162 8.083 8.370 -0.036 0.104 0.510 190 L N -3.348 117.812 121.223 -0.106 0.000 2.376 190 L HA -0.234 4.106 4.340 -0.000 0.000 0.219 190 L C -0.848 175.968 176.870 -0.091 0.000 1.133 190 L CA 1.331 56.038 54.840 -0.221 0.000 0.816 190 L CB 0.067 41.880 42.059 -0.410 0.000 0.933 190 L HN -0.293 7.748 8.230 -0.095 0.131 0.449 213 D N 6.313 126.805 120.400 0.154 0.000 2.417 213 D HA 0.134 4.774 4.640 -0.000 0.000 0.250 213 D C -0.243 176.140 176.300 0.138 0.000 1.166 213 D CA -1.971 52.096 54.000 0.112 0.000 0.881 213 D CB 0.418 41.264 40.800 0.078 0.000 1.164 213 D HN 0.019 8.492 8.370 0.171 0.000 0.467 214 P HA -0.271 4.149 4.420 -0.000 0.000 0.218 214 P C 1.366 178.750 177.300 0.140 0.000 1.147 214 P CA 2.341 65.521 63.100 0.134 0.000 0.827 214 P CB 0.371 32.122 31.700 0.085 0.000 0.778 215 E N -3.355 116.901 120.200 0.094 0.000 2.166 215 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 215 E C 1.861 178.482 176.600 0.035 0.000 0.967 215 E CA 2.236 58.677 56.400 0.068 0.000 0.840 215 E CB -0.236 29.486 29.700 0.037 0.000 0.795 215 E HN 0.152 8.522 8.360 0.079 0.037 0.470 216 L N 0.313 121.541 121.223 0.007 0.000 2.046 216 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 216 L C 1.361 178.115 176.870 -0.192 0.000 1.077 216 L CA 2.915 57.684 54.840 -0.118 0.000 0.747 216 L CB -0.558 41.431 42.059 -0.118 0.000 0.896 216 L HN -0.765 7.488 8.230 0.038 0.000 0.432 217 A N -1.734 121.128 122.820 0.070 0.000 1.933 217 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 217 A C 2.025 179.778 177.584 0.282 0.000 1.175 217 A CA 3.245 55.470 52.037 0.313 0.000 0.628 217 A CB -0.870 18.451 19.000 0.535 0.000 0.814 217 A HN 0.155 8.392 8.150 0.153 0.005 0.444 218 R N -2.801 117.837 120.500 0.230 0.000 2.148 218 R HA -0.264 4.076 4.340 -0.000 0.000 0.227 218 R C 2.076 178.449 176.300 0.123 0.000 1.103 218 R CA 2.967 59.211 56.100 0.239 0.000 0.983 218 R CB -0.088 30.326 30.300 0.190 0.000 0.874 218 R HN -0.481 7.789 8.270 0.193 0.115 0.451 219 E N -0.777 119.428 120.200 0.009 0.000 2.051 219 E HA -0.187 4.163 4.350 -0.000 0.000 0.189 219 E C 2.088 178.626 176.600 -0.104 0.000 0.979 219 E CA 2.832 59.198 56.400 -0.057 0.000 0.803 219 E CB 0.137 29.766 29.700 -0.119 0.000 0.761 219 E HN -0.318 7.874 8.360 -0.018 0.157 0.451 220 K N -0.818 119.427 120.400 -0.259 0.000 2.026 220 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 220 K C 2.721 179.301 176.600 -0.034 0.000 1.048 220 K CA 2.521 58.594 56.287 -0.356 0.000 0.929 220 K CB -0.324 31.591 32.500 -0.975 0.000 0.713 220 K HN -0.005 8.041 8.250 -0.338 0.000 0.439 221 F N -2.249 117.729 119.950 0.046 0.000 2.333 221 F HA -0.298 4.229 4.527 -0.000 0.000 0.300 221 F C 1.781 177.589 175.800 0.013 0.000 1.083 221 F CA 3.298 61.283 58.000 -0.025 0.000 1.395 221 F CB -0.773 37.886 39.000 -0.567 0.000 1.056 221 F HN -0.295 8.059 8.300 0.089 0.000 0.529 222 A N -1.068 121.852 122.820 0.167 0.000 1.930 222 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 222 A C 1.742 179.380 177.584 0.090 0.000 1.176 222 A CA 2.936 55.044 52.037 0.119 0.000 0.632 222 A CB -0.745 18.303 19.000 0.080 0.000 0.819 222 A HN -0.667 7.402 8.150 0.126 0.157 0.445 223 E N -0.454 119.782 120.200 0.060 0.000 2.204 223 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 223 E C 2.308 178.971 176.600 0.106 0.000 0.989 223 E CA 2.643 59.072 56.400 0.048 0.000 0.824 223 E CB 0.124 29.815 29.700 -0.015 0.000 0.756 223 E HN -0.427 7.852 8.360 0.034 0.101 0.477 224 L N -0.108 121.212 121.223 0.162 0.000 2.068 224 L HA -0.226 4.114 4.340 -0.000 0.000 0.204 224 L C 1.394 178.395 176.870 0.217 0.000 1.076 224 L CA 2.793 57.758 54.840 0.208 0.000 0.753 224 L CB 0.017 42.191 42.059 0.192 0.000 0.910 224 L HN -0.058 8.151 8.230 0.165 0.120 0.439 225 R N -0.857 119.757 120.500 0.191 0.000 2.120 225 R HA -0.386 3.954 4.340 -0.000 0.000 0.234 225 R C 2.197 178.555 176.300 0.096 0.000 1.123 225 R CA 3.408 59.596 56.100 0.147 0.000 0.975 225 R CB -0.179 30.186 30.300 0.108 0.000 0.866 225 R HN -0.214 8.167 8.270 0.185 0.000 0.446 226 A N -1.967 120.909 122.820 0.095 0.000 1.930 226 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 226 A C 1.615 179.255 177.584 0.092 0.000 1.176 226 A CA 2.651 54.729 52.037 0.068 0.000 0.632 226 A CB -0.647 18.385 19.000 0.053 0.000 0.819 226 A HN -0.055 8.136 8.150 0.103 0.020 0.445 227 Q N -1.764 118.109 119.800 0.122 0.000 2.230 227 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 227 Q C 1.868 177.980 176.000 0.187 0.000 0.963 227 Q CA 1.813 57.692 55.803 0.127 0.000 0.866 227 Q CB -0.136 28.672 28.738 0.116 0.000 0.931 227 Q HN -0.636 7.709 8.270 0.126 0.000 0.452 228 Y N 0.299 120.632 120.300 0.055 0.000 2.084 228 Y HA -0.331 4.219 4.550 -0.000 0.000 0.279 228 Y C 1.589 177.509 175.900 0.034 0.000 1.119 228 Y CA 1.686 59.814 58.100 0.047 0.000 1.101 228 Y CB -0.128 38.365 38.460 0.056 0.000 0.989 228 Y HN -0.167 8.257 8.280 0.290 0.030 0.484 229 V N -6.110 113.911 119.914 0.177 0.000 3.099 229 V HA -0.317 3.803 4.120 -0.000 0.000 0.269 229 V C 1.862 178.006 176.094 0.085 0.000 1.150 229 V CA 2.764 65.087 62.300 0.037 0.000 1.165 229 V CB -1.578 30.196 31.823 -0.083 0.000 0.756 229 V HN -0.513 7.721 8.190 0.073 0.000 0.527 230 V N -0.188 119.792 119.914 0.110 0.000 2.685 230 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 230 V C 1.004 177.150 176.094 0.086 0.000 1.054 230 V CA 3.422 65.768 62.300 0.077 0.000 1.076 230 V CB -0.183 31.677 31.823 0.063 0.000 0.725 230 V HN -0.233 7.854 8.190 0.143 0.189 0.467 231 T N 3.583 118.208 114.554 0.117 0.000 2.857 231 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 231 T C 1.531 176.290 174.700 0.098 0.000 1.048 231 T CA 4.166 66.319 62.100 0.088 0.000 1.139 231 T CB -0.548 68.358 68.868 0.063 0.000 0.874 231 T HN -0.165 8.073 8.240 0.154 0.095 0.455 232 R N -0.062 120.542 120.500 0.173 0.000 2.249 232 R HA -0.316 4.024 4.340 -0.000 0.000 0.230 232 R C 0.219 176.575 176.300 0.093 0.000 1.121 232 R CA 2.677 58.882 56.100 0.174 0.000 0.997 232 R CB -0.081 30.382 30.300 0.271 0.000 0.867 232 R HN 0.167 8.467 8.270 0.247 0.118 0.465 233 D N -2.977 117.465 120.400 0.071 0.000 2.369 233 D HA 0.108 4.748 4.640 -0.000 0.000 0.231 233 D C 1.689 178.007 176.300 0.029 0.000 0.967 233 D CA 2.218 56.243 54.000 0.042 0.000 0.905 233 D CB 0.095 40.914 40.800 0.033 0.000 1.044 233 D HN -0.644 7.588 8.370 0.080 0.186 0.487 234 T N 0.080 114.651 114.554 0.030 0.000 3.077 234 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 234 T C 1.294 176.000 174.700 0.010 0.000 1.146 234 T CA 2.749 64.858 62.100 0.015 0.000 1.091 234 T CB -0.434 68.443 68.868 0.016 0.000 0.892 234 T HN -0.600 7.664 8.240 0.040 0.000 0.533 235 I N 0.127 120.712 120.570 0.024 0.000 2.676 235 I HA -0.118 4.052 4.170 -0.000 0.000 0.259 235 I C 1.399 177.524 176.117 0.014 0.000 1.194 235 I CA 1.200 62.515 61.300 0.026 0.000 1.473 235 I CB -0.380 37.641 38.000 0.033 0.000 1.096 235 I HN -0.326 7.825 8.210 0.035 0.081 0.443 236 K N -1.426 118.981 120.400 0.011 0.000 2.168 236 K HA -0.027 4.293 4.320 -0.000 0.000 0.201 236 K C 0.228 176.822 176.600 -0.011 0.000 1.049 236 K CA 0.799 57.089 56.287 0.004 0.000 0.974 236 K CB 0.995 33.501 32.500 0.010 0.000 0.792 236 K HN 0.082 8.169 8.250 0.016 0.173 0.463 243 A N 1.021 123.904 122.820 0.106 0.000 2.014 243 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 243 A C 1.785 179.396 177.584 0.046 0.000 1.163 243 A CA 2.259 54.335 52.037 0.065 0.000 0.652 243 A CB -0.234 18.792 19.000 0.042 0.000 0.808 243 A HN 0.177 8.377 8.150 0.082 0.000 0.449 244 T N -0.288 114.286 114.554 0.034 0.000 2.976 244 T HA -0.060 4.290 4.350 -0.000 0.000 0.257 244 T C 1.737 176.455 174.700 0.029 0.000 1.051 244 T CA 2.691 64.804 62.100 0.023 0.000 1.141 244 T CB -0.444 68.429 68.868 0.008 0.000 0.881 244 T HN -0.170 8.056 8.240 0.028 0.030 0.461 245 A N 1.434 124.275 122.820 0.036 0.000 1.930 245 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 245 A C 1.786 179.410 177.584 0.067 0.000 1.175 245 A CA 2.489 54.554 52.037 0.047 0.000 0.627 245 A CB -0.893 18.133 19.000 0.044 0.000 0.815 245 A HN -0.114 8.053 8.150 0.028 0.000 0.443 246 Q N -1.594 118.258 119.800 0.087 0.000 2.224 246 Q HA -0.273 4.067 4.340 -0.000 0.000 0.203 246 Q C 2.397 178.419 176.000 0.037 0.000 0.970 246 Q CA 2.918 58.758 55.803 0.062 0.000 0.865 246 Q CB -0.079 28.694 28.738 0.057 0.000 0.922 246 Q HN 0.057 8.377 8.270 0.105 0.013 0.445 247 E N -1.608 118.613 120.200 0.035 0.000 2.358 247 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 247 E C 1.082 177.699 176.600 0.028 0.000 1.010 247 E CA 1.959 58.376 56.400 0.027 0.000 0.856 247 E CB -0.105 29.609 29.700 0.024 0.000 0.795 247 E HN -0.366 7.892 8.360 0.040 0.127 0.504 248 E N -1.066 119.153 120.200 0.031 0.000 2.216 248 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 248 E C 1.597 178.215 176.600 0.030 0.000 0.973 248 E CA 1.845 58.264 56.400 0.032 0.000 0.851 248 E CB 0.826 30.546 29.700 0.034 0.000 0.804 248 E HN -0.658 7.566 8.360 0.034 0.156 0.477 249 I N 0.981 121.567 120.570 0.026 0.000 2.394 249 I HA -0.379 3.791 4.170 -0.000 0.000 0.251 249 I C 1.753 177.877 176.117 0.012 0.000 1.136 249 I CA 4.333 65.640 61.300 0.012 0.000 1.425 249 I CB 0.073 38.078 38.000 0.009 0.000 1.079 249 I HN 0.059 8.206 8.210 0.031 0.082 0.425 250 L N -3.150 118.085 121.223 0.020 0.000 2.478 250 L HA -0.201 4.139 4.340 -0.000 0.000 0.223 250 L C 1.634 178.526 176.870 0.036 0.000 1.140 250 L CA 2.322 57.176 54.840 0.024 0.000 0.842 250 L CB -0.599 41.472 42.059 0.021 0.000 0.953 250 L HN -0.256 7.892 8.230 0.023 0.096 0.452 251 K N -0.514 119.909 120.400 0.038 0.000 2.244 251 K HA -0.138 4.182 4.320 -0.000 0.000 0.200 251 K C 1.921 178.562 176.600 0.067 0.000 1.052 251 K CA 2.529 58.845 56.287 0.048 0.000 0.980 251 K CB 0.189 32.713 32.500 0.041 0.000 0.838 251 K HN -0.932 7.129 8.250 0.033 0.209 0.481 252 L N 0.440 121.699 121.223 0.060 0.000 2.131 252 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 252 L C 1.484 178.419 176.870 0.110 0.000 1.092 252 L CA 2.895 57.782 54.840 0.078 0.000 0.759 252 L CB -0.391 41.687 42.059 0.031 0.000 0.903 252 L HN 0.274 8.530 8.230 0.043 0.000 0.435 253 S N -1.331 114.415 115.700 0.077 0.000 2.387 253 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 253 S C 2.182 176.888 174.600 0.176 0.000 1.026 253 S CA 4.033 62.296 58.200 0.105 0.000 0.972 253 S CB -0.555 62.673 63.200 0.047 0.000 0.814 253 S HN -0.494 7.831 8.310 0.048 0.014 0.477 254 E N 0.447 120.722 120.200 0.126 0.000 2.274 254 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 254 E C 1.711 178.389 176.600 0.129 0.000 0.996 254 E CA 1.937 58.405 56.400 0.114 0.000 0.840 254 E CB -0.185 29.557 29.700 0.069 0.000 0.772 254 E HN -0.574 7.734 8.360 0.095 0.108 0.491 255 V N -1.353 118.656 119.914 0.157 0.000 2.407 255 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 255 V C 2.225 178.493 176.094 0.291 0.000 1.041 255 V CA 3.032 65.430 62.300 0.162 0.000 1.040 255 V CB -0.251 31.670 31.823 0.163 0.000 0.671 255 V HN -0.081 8.073 8.190 0.156 0.129 0.455 256 F N 1.643 121.716 119.950 0.205 0.000 2.134 256 F HA -0.416 4.111 4.527 -0.000 0.000 0.299 256 F C 1.328 177.313 175.800 0.307 0.000 1.097 256 F CA 3.888 62.049 58.000 0.267 0.000 1.264 256 F CB 0.349 39.425 39.000 0.126 0.000 1.001 256 F HN -0.272 8.276 8.300 0.412 0.000 0.479 257 K N -2.096 118.519 120.400 0.359 0.000 2.519 257 K HA -0.296 4.024 4.320 -0.000 0.000 0.196 257 K C 1.268 177.921 176.600 0.087 0.000 1.041 257 K CA 2.181 58.604 56.287 0.227 0.000 0.954 257 K CB -0.657 31.968 32.500 0.208 0.000 0.774 257 K HN -0.403 8.088 8.250 0.402 0.000 0.480 258 Q N -2.324 117.493 119.800 0.029 0.000 2.245 258 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 258 Q C 0.280 176.143 176.000 -0.229 0.000 0.955 258 Q CA 1.423 57.157 55.803 -0.115 0.000 0.870 258 Q CB 1.133 29.732 28.738 -0.231 0.000 0.945 258 Q HN -0.619 7.512 8.270 0.100 0.199 0.461 259 F N 0.218 120.053 119.950 -0.192 0.000 2.466 259 F HA -0.022 4.505 4.527 -0.000 0.000 0.363 259 F C -0.295 175.316 175.800 -0.314 0.000 1.109 259 F CA 0.142 57.927 58.000 -0.359 0.000 1.161 259 F CB -0.346 38.335 39.000 -0.532 0.000 1.117 259 F HN -0.491 7.713 8.300 0.069 0.138 0.539 260 R N 5.756 126.142 120.500 -0.190 0.000 4.164 260 R HA -0.044 4.296 4.340 -0.000 0.000 0.195 260 R C -0.634 175.624 176.300 -0.070 0.000 1.712 260 R CA -1.080 54.974 56.100 -0.077 0.000 1.457 260 R CB -1.874 28.354 30.300 -0.120 0.000 1.387 260 R HN 0.110 8.151 8.270 -0.382 0.000 0.785 261 L N 1.428 122.571 121.223 -0.133 0.000 2.554 261 L HA -0.288 4.052 4.340 -0.000 0.000 0.293 261 L C -0.756 176.078 176.870 -0.060 0.000 1.252 261 L CA 1.754 56.436 54.840 -0.263 0.000 0.862 261 L CB 0.071 41.650 42.059 -0.801 0.000 1.113 261 L HN -0.428 7.653 8.230 -0.165 0.049 0.510 262 V N 3.338 123.221 119.914 -0.052 0.000 2.637 262 V HA -0.023 4.097 4.120 -0.000 0.000 0.296 262 V C -0.170 175.950 176.094 0.043 0.000 1.046 262 V CA -0.918 61.388 62.300 0.008 0.000 1.066 262 V CB 0.034 31.859 31.823 0.003 0.000 0.968 262 V HN -0.413 7.728 8.190 -0.083 0.000 0.483 263 P HA -0.379 4.041 4.420 -0.000 0.000 0.221 263 P C 0.997 178.256 177.300 -0.069 0.000 1.160 263 P CA 3.428 66.437 63.100 -0.152 0.000 0.933 263 P CB -0.152 31.265 31.700 -0.472 0.000 0.793 264 K N -5.030 115.385 120.400 0.026 0.000 2.209 264 K HA -0.247 4.073 4.320 -0.000 0.000 0.204 264 K C 2.765 179.466 176.600 0.169 0.000 1.048 264 K CA 3.227 59.604 56.287 0.150 0.000 0.940 264 K CB -0.832 31.762 32.500 0.158 0.000 0.729 264 K HN 0.209 8.473 8.250 0.023 0.000 0.451 265 Q N -1.025 118.850 119.800 0.126 0.000 2.096 265 Q HA -0.204 4.136 4.340 -0.000 0.000 0.197 265 Q C 2.247 178.347 176.000 0.168 0.000 0.964 265 Q CA 2.810 58.700 55.803 0.145 0.000 0.838 265 Q CB 0.005 28.776 28.738 0.055 0.000 0.906 265 Q HN -0.017 8.168 8.270 0.081 0.133 0.444 266 F N 0.240 120.257 119.950 0.111 0.000 2.269 266 F HA -0.311 4.216 4.527 -0.000 0.000 0.301 266 F C 2.048 177.897 175.800 0.081 0.000 1.082 266 F CA 3.585 61.642 58.000 0.094 0.000 1.360 266 F CB -0.424 38.596 39.000 0.034 0.000 1.041 266 F HN -0.508 7.898 8.300 0.177 0.000 0.512 267 D N -0.686 119.884 120.400 0.283 0.000 2.224 267 D HA -0.245 4.395 4.640 -0.000 0.000 0.205 267 D C 2.233 178.626 176.300 0.154 0.000 0.965 267 D CA 3.291 57.416 54.000 0.208 0.000 0.852 267 D CB -0.296 40.648 40.800 0.240 0.000 0.947 267 D HN -0.094 8.300 8.370 0.262 0.133 0.494 268 Y N 1.307 121.632 120.300 0.041 0.000 2.133 268 Y HA -0.331 4.219 4.550 -0.000 0.000 0.287 268 Y C 1.297 177.127 175.900 -0.116 0.000 1.134 268 Y CA 3.664 61.729 58.100 -0.059 0.000 1.133 268 Y CB 0.412 38.795 38.460 -0.130 0.000 0.987 268 Y HN -0.473 7.830 8.280 0.297 0.156 0.502 269 L N -1.563 119.718 121.223 0.097 0.000 1.955 269 L HA -0.547 3.793 4.340 -0.000 0.000 0.213 269 L C 2.033 178.868 176.870 -0.060 0.000 1.072 269 L CA 3.744 58.600 54.840 0.026 0.000 0.755 269 L CB -0.556 41.612 42.059 0.181 0.000 0.888 269 L HN -0.119 8.241 8.230 0.217 0.000 0.432 270 V N -2.249 117.683 119.914 0.030 0.000 2.370 270 V HA -0.543 3.577 4.120 -0.000 0.000 0.252 270 V C 2.296 178.329 176.094 -0.102 0.000 1.068 270 V CA 4.096 66.375 62.300 -0.034 0.000 1.061 270 V CB -0.890 30.947 31.823 0.023 0.000 0.656 270 V HN 0.218 8.497 8.190 0.150 0.000 0.455 271 N N -2.218 116.414 118.700 -0.113 0.000 2.290 271 N HA -0.215 4.525 4.740 -0.000 0.000 0.179 271 N C 1.721 177.103 175.510 -0.214 0.000 1.016 271 N CA 2.862 55.825 53.050 -0.144 0.000 0.871 271 N CB 0.244 38.650 38.487 -0.134 0.000 0.987 271 N HN -0.478 7.837 8.380 -0.087 0.013 0.431 272 S N 1.904 117.416 115.700 -0.313 0.000 2.365 272 S HA -0.373 4.097 4.470 -0.000 0.000 0.225 272 S C 2.155 176.628 174.600 -0.212 0.000 1.039 272 S CA 3.665 61.673 58.200 -0.320 0.000 1.033 272 S CB -0.127 62.850 63.200 -0.373 0.000 0.887 272 S HN 0.313 8.234 8.310 -0.341 0.185 0.447 273 M N -0.006 119.408 119.600 -0.308 0.000 2.175 273 M HA -0.350 4.130 4.480 -0.000 0.000 0.264 273 M C 2.355 178.513 176.300 -0.238 0.000 1.063 273 M CA 3.914 58.950 55.300 -0.440 0.000 1.119 273 M CB -0.248 31.965 32.600 -0.645 0.000 1.377 273 M HN -0.099 8.001 8.290 -0.310 0.004 0.415 274 R N -0.872 119.522 120.500 -0.177 0.000 2.075 274 R HA -0.224 4.116 4.340 -0.000 0.000 0.232 274 R C 2.595 178.844 176.300 -0.085 0.000 1.126 274 R CA 3.385 59.416 56.100 -0.115 0.000 0.963 274 R CB -0.206 30.038 30.300 -0.095 0.000 0.858 274 R HN -0.661 7.410 8.270 -0.187 0.088 0.435 275 V N 0.526 120.385 119.914 -0.091 0.000 2.407 275 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 275 V C 2.154 178.225 176.094 -0.039 0.000 1.055 275 V CA 4.175 66.436 62.300 -0.064 0.000 1.049 275 V CB -0.797 30.980 31.823 -0.077 0.000 0.662 275 V HN 0.301 8.420 8.190 -0.118 0.000 0.455 276 M N -0.123 119.459 119.600 -0.031 0.000 2.175 276 M HA -0.313 4.167 4.480 -0.000 0.000 0.264 276 M C 1.602 177.907 176.300 0.009 0.000 1.063 276 M CA 2.545 57.855 55.300 0.017 0.000 1.119 276 M CB -0.153 32.504 32.600 0.095 0.000 1.377 276 M HN -0.492 7.686 8.290 -0.058 0.077 0.415 277 M N -0.457 119.131 119.600 -0.019 0.000 2.296 277 M HA -0.294 4.186 4.480 -0.000 0.000 0.265 277 M C 1.602 177.893 176.300 -0.014 0.000 1.064 277 M CA 2.319 57.608 55.300 -0.019 0.000 1.109 277 M CB -0.842 31.733 32.600 -0.043 0.000 1.396 277 M HN -0.278 7.900 8.290 -0.047 0.084 0.430 278 D N 0.023 120.412 120.400 -0.019 0.000 2.144 278 D HA -0.239 4.401 4.640 -0.000 0.000 0.200 278 D C 2.596 178.894 176.300 -0.003 0.000 0.978 278 D CA 3.718 57.709 54.000 -0.014 0.000 0.833 278 D CB -0.315 40.472 40.800 -0.021 0.000 0.961 278 D HN -0.023 8.202 8.370 -0.029 0.129 0.470 279 R N -0.236 120.265 120.500 0.002 0.000 2.075 279 R HA -0.248 4.092 4.340 -0.000 0.000 0.232 279 R C 2.350 178.662 176.300 0.020 0.000 1.126 279 R CA 3.268 59.374 56.100 0.011 0.000 0.963 279 R CB -0.047 30.262 30.300 0.014 0.000 0.858 279 R HN -0.523 7.647 8.270 -0.001 0.099 0.435 280 V N 0.245 120.172 119.914 0.021 0.000 2.255 280 V HA -0.457 3.663 4.120 -0.000 0.000 0.247 280 V C 2.046 178.165 176.094 0.040 0.000 1.051 280 V CA 4.496 66.814 62.300 0.030 0.000 1.018 280 V CB -0.921 30.911 31.823 0.015 0.000 0.641 280 V HN -0.152 8.048 8.190 0.017 0.000 0.445 281 R N -2.423 118.092 120.500 0.025 0.000 2.105 281 R HA -0.416 3.924 4.340 -0.000 0.000 0.239 281 R C 2.339 178.656 176.300 0.028 0.000 1.135 281 R CA 3.841 59.958 56.100 0.028 0.000 0.967 281 R CB -0.386 29.921 30.300 0.010 0.000 0.861 281 R HN 0.106 8.384 8.270 0.013 0.000 0.442 282 T N 2.895 117.459 114.554 0.017 0.000 2.674 282 T HA -0.295 4.055 4.350 -0.000 0.000 0.265 282 T C 2.548 177.255 174.700 0.012 0.000 1.039 282 T CA 4.808 66.912 62.100 0.008 0.000 1.150 282 T CB -0.731 68.139 68.868 0.003 0.000 0.864 282 T HN 0.186 8.352 8.240 0.014 0.082 0.427 283 Q N 0.147 119.965 119.800 0.029 0.000 2.170 283 Q HA -0.260 4.080 4.340 -0.000 0.000 0.203 283 Q C 2.577 178.611 176.000 0.057 0.000 0.976 283 Q CA 2.706 58.532 55.803 0.038 0.000 0.858 283 Q CB -0.897 27.877 28.738 0.060 0.000 0.907 283 Q HN -0.254 8.036 8.270 0.033 0.000 0.433 284 E N -0.118 120.151 120.200 0.115 0.000 2.158 284 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 284 E C 2.597 179.234 176.600 0.062 0.000 0.982 284 E CA 2.553 59.071 56.400 0.197 0.000 0.823 284 E CB -0.186 29.712 29.700 0.330 0.000 0.766 284 E HN -0.269 8.154 8.360 0.105 0.000 0.468 285 R N -0.131 120.382 120.500 0.021 0.000 2.090 285 R HA -0.206 4.134 4.340 -0.000 0.000 0.228 285 R C 2.335 178.575 176.300 -0.101 0.000 1.110 285 R CA 2.949 59.028 56.100 -0.034 0.000 0.973 285 R CB 0.097 30.385 30.300 -0.020 0.000 0.869 285 R HN -0.311 7.980 8.270 0.035 0.000 0.440 286 L N 0.225 121.399 121.223 -0.082 0.000 1.970 286 L HA -0.319 4.021 4.340 -0.000 0.000 0.212 286 L C 1.437 178.207 176.870 -0.167 0.000 1.071 286 L CA 3.037 57.817 54.840 -0.101 0.000 0.751 286 L CB -0.430 41.589 42.059 -0.066 0.000 0.889 286 L HN -0.342 7.860 8.230 -0.047 0.000 0.432 287 I N -2.040 118.417 120.570 -0.190 0.000 2.145 287 I HA -0.677 3.493 4.170 -0.000 0.000 0.244 287 I C 1.815 177.637 176.117 -0.492 0.000 1.075 287 I CA 4.284 65.416 61.300 -0.279 0.000 1.332 287 I CB -0.278 37.515 38.000 -0.344 0.000 1.033 287 I HN -0.479 7.649 8.210 -0.137 0.000 0.410 288 M N -1.233 117.979 119.600 -0.646 0.000 2.159 288 M HA -0.467 4.013 4.480 -0.000 0.000 0.263 288 M C 1.664 177.584 176.300 -0.633 0.000 1.063 288 M CA 3.912 58.553 55.300 -1.099 0.000 1.110 288 M CB -0.199 31.974 32.600 -0.713 0.000 1.374 288 M HN -0.614 7.426 8.290 -0.416 0.000 0.411 289 K N 0.264 120.447 120.400 -0.361 0.000 2.057 289 K HA -0.292 4.028 4.320 -0.000 0.000 0.206 289 K C 2.175 178.649 176.600 -0.210 0.000 1.050 289 K CA 3.422 59.569 56.287 -0.233 0.000 0.935 289 K CB -0.149 32.259 32.500 -0.154 0.000 0.715 289 K HN -0.404 7.575 8.250 -0.311 0.085 0.439 290 L N -1.547 119.548 121.223 -0.213 0.000 1.994 290 L HA -0.449 3.891 4.340 -0.000 0.000 0.208 290 L C 2.133 178.912 176.870 -0.150 0.000 1.071 290 L CA 3.235 57.983 54.840 -0.154 0.000 0.745 290 L CB -0.157 41.812 42.059 -0.149 0.000 0.892 290 L HN -0.186 7.902 8.230 -0.236 0.000 0.431 291 C N -1.797 117.366 119.300 -0.229 0.000 2.489 291 C HA -0.262 4.198 4.460 -0.000 0.000 0.279 291 C C 2.236 177.098 174.990 -0.213 0.000 1.266 291 C CA 4.628 63.547 59.018 -0.165 0.000 1.707 291 C CB -1.421 26.253 27.740 -0.111 0.000 2.059 291 C HN -0.065 7.965 8.230 -0.332 0.000 0.481 292 V N -0.668 119.040 119.914 -0.343 0.000 2.488 292 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 292 V C 1.023 177.017 176.094 -0.168 0.000 1.046 292 V CA 4.275 66.416 62.300 -0.264 0.000 1.053 292 V CB -0.355 31.286 31.823 -0.303 0.000 0.679 292 V HN 0.540 8.313 8.190 -0.506 0.113 0.458 293 E N -3.046 117.061 120.200 -0.155 0.000 2.134 293 E HA 0.044 4.394 4.350 -0.000 0.000 0.194 293 E C 1.913 178.476 176.600 -0.061 0.000 0.937 293 E CA 1.601 57.943 56.400 -0.096 0.000 0.874 293 E CB 0.757 30.400 29.700 -0.095 0.000 0.853 293 E HN -0.532 7.599 8.360 -0.195 0.112 0.471 294 Q N -0.406 119.356 119.800 -0.063 0.000 2.079 294 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 294 Q C 1.995 177.995 176.000 -0.001 0.000 0.974 294 Q CA 2.700 58.486 55.803 -0.030 0.000 0.840 294 Q CB 0.486 29.204 28.738 -0.033 0.000 0.898 294 Q HN -0.030 8.186 8.270 -0.090 0.000 0.430 295 C N -3.735 115.565 119.300 0.000 0.000 2.906 295 C HA 0.223 4.683 4.460 -0.000 0.000 0.274 295 C C -0.958 174.076 174.990 0.072 0.000 1.257 295 C CA -1.353 57.698 59.018 0.055 0.000 1.695 295 C CB -0.023 27.768 27.740 0.085 0.000 1.958 295 C HN -0.229 7.981 8.230 -0.035 0.000 0.619 296 K N -3.533 116.872 120.400 0.009 0.000 3.341 296 K HA -0.332 3.988 4.320 -0.000 0.000 0.305 296 K C -0.626 175.913 176.600 -0.101 0.000 1.270 296 K CA 0.697 56.987 56.287 0.005 0.000 0.897 296 K CB -1.846 30.708 32.500 0.089 0.000 1.264 296 K HN -0.058 8.015 8.250 -0.024 0.162 0.468 297 M N 1.525 120.953 119.600 -0.286 0.000 2.292 297 M HA 0.179 4.659 4.480 -0.000 0.000 0.342 297 M C -2.209 173.813 176.300 -0.464 0.000 1.538 297 M CA -1.056 53.766 55.300 -0.798 0.000 1.163 297 M CB 0.872 33.033 32.600 -0.732 0.000 1.823 297 M HN -0.298 7.842 8.290 -0.183 0.040 0.462 298 P HA 0.010 4.430 4.420 -0.000 0.000 0.267 298 P C 0.001 177.245 177.300 -0.093 0.000 1.200 298 P CA -0.245 62.770 63.100 -0.143 0.000 0.772 298 P CB 0.529 32.206 31.700 -0.037 0.000 0.855 299 K N 2.868 123.252 120.400 -0.027 0.000 2.071 299 K HA -0.523 3.797 4.320 -0.000 0.000 0.217 299 K C 1.952 178.599 176.600 0.079 0.000 1.054 299 K CA 4.750 61.064 56.287 0.044 0.000 0.937 299 K CB -0.578 31.942 32.500 0.033 0.000 0.719 299 K HN 0.593 8.823 8.250 -0.034 0.000 0.454 300 K N -2.422 118.003 120.400 0.041 0.000 2.034 300 K HA -0.411 3.909 4.320 -0.000 0.000 0.214 300 K C 2.483 179.106 176.600 0.038 0.000 1.051 300 K CA 3.145 59.457 56.287 0.041 0.000 0.931 300 K CB -0.614 31.913 32.500 0.045 0.000 0.715 300 K HN 0.196 8.463 8.250 0.028 0.000 0.446 301 N N -1.324 117.390 118.700 0.023 0.000 2.188 301 N HA -0.220 4.520 4.740 -0.000 0.000 0.184 301 N C 1.965 177.486 175.510 0.019 0.000 1.018 301 N CA 2.890 55.952 53.050 0.020 0.000 0.858 301 N CB -0.014 38.438 38.487 -0.058 0.000 0.989 301 N HN -0.697 7.682 8.380 -0.001 0.000 0.426 302 F N 2.387 122.285 119.950 -0.087 0.000 2.102 302 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 302 F C 1.319 177.126 175.800 0.011 0.000 1.105 302 F CA 3.207 61.192 58.000 -0.026 0.000 1.239 302 F CB 0.195 39.151 39.000 -0.074 0.000 0.991 302 F HN -0.732 7.631 8.300 0.106 0.000 0.474 303 I N -1.831 118.659 120.570 -0.134 0.000 2.069 303 I HA -0.637 3.533 4.170 -0.000 0.000 0.237 303 I C 2.647 178.626 176.117 -0.230 0.000 1.053 303 I CA 3.327 64.517 61.300 -0.183 0.000 1.311 303 I CB -1.874 36.105 38.000 -0.035 0.000 1.030 303 I HN 0.347 8.606 8.210 0.080 0.000 0.398 304 T N 1.816 116.302 114.554 -0.113 0.000 2.714 304 T HA -0.315 4.035 4.350 -0.000 0.000 0.268 304 T C 1.569 176.220 174.700 -0.081 0.000 1.036 304 T CA 3.788 65.847 62.100 -0.068 0.000 1.148 304 T CB -0.254 68.616 68.868 0.003 0.000 0.856 304 T HN -0.570 7.634 8.240 -0.061 0.000 0.462 305 L N -1.480 119.685 121.223 -0.096 0.000 2.145 305 L HA 0.001 4.341 4.340 -0.000 0.000 0.201 305 L C 1.722 178.454 176.870 -0.230 0.000 1.075 305 L CA 2.818 57.668 54.840 0.017 0.000 0.773 305 L CB 0.181 42.448 42.059 0.347 0.000 0.936 305 L HN -0.605 7.426 8.230 -0.138 0.117 0.451 306 F N 1.229 120.603 119.950 -0.960 0.000 2.113 306 F HA -0.343 4.184 4.527 -0.000 0.000 0.297 306 F C 1.235 176.574 175.800 -0.768 0.000 1.103 306 F CA 2.636 59.800 58.000 -1.393 0.000 1.248 306 F CB 0.083 38.059 39.000 -1.705 0.000 0.999 306 F HN -0.126 7.718 8.300 -0.761 0.000 0.475 307 T N -0.924 113.300 114.554 -0.550 0.000 3.070 307 T HA -0.267 4.083 4.350 -0.000 0.000 0.270 307 T C 0.828 175.318 174.700 -0.351 0.000 1.175 307 T CA 2.277 64.123 62.100 -0.424 0.000 1.073 307 T CB -0.922 67.793 68.868 -0.256 0.000 0.840 307 T HN -0.181 7.765 8.240 -0.490 0.000 0.576 308 G N 0.897 109.490 108.800 -0.345 0.000 2.908 308 G HA2 0.002 3.962 3.960 -0.000 0.000 0.188 308 G HA3 0.002 3.962 3.960 -0.000 0.000 0.188 308 G C -0.390 174.357 174.900 -0.255 0.000 1.903 308 G CA 0.075 45.040 45.100 -0.225 0.000 0.883 308 G HN -0.670 7.259 8.290 -0.404 0.118 0.515 309 N N 0.602 119.187 118.700 -0.191 0.000 2.270 309 N HA -0.138 4.602 4.740 -0.000 0.000 0.181 309 N C 0.465 175.831 175.510 -0.241 0.000 1.016 309 N CA 0.823 53.781 53.050 -0.154 0.000 0.870 309 N CB 0.398 38.861 38.487 -0.040 0.000 0.979 309 N HN 0.119 8.420 8.380 -0.132 0.000 0.431 310 E N -5.091 114.872 120.200 -0.396 0.000 3.370 310 E HA -0.289 4.061 4.350 -0.000 0.000 0.291 310 E C -0.854 175.694 176.600 -0.087 0.000 0.916 310 E CA 1.478 57.536 56.400 -0.569 0.000 0.981 310 E CB -0.360 28.818 29.700 -0.870 0.000 1.498 310 E HN 0.100 8.220 8.360 -0.399 0.000 0.452 311 T N -8.575 106.015 114.554 0.060 0.000 3.057 311 T HA 0.130 4.480 4.350 -0.000 0.000 0.254 311 T C -0.430 174.389 174.700 0.199 0.000 0.965 311 T CA -0.146 62.033 62.100 0.132 0.000 0.978 311 T CB 1.158 70.055 68.868 0.048 0.000 1.169 311 T HN -0.088 8.130 8.240 0.046 0.049 0.489 312 S N 1.504 117.342 115.700 0.230 0.000 2.616 312 S HA 0.160 4.630 4.470 -0.000 0.000 0.277 312 S C 1.037 175.804 174.600 0.279 0.000 1.234 312 S CA -1.325 56.998 58.200 0.206 0.000 1.028 312 S CB 1.234 64.525 63.200 0.153 0.000 0.988 312 S HN -0.313 8.127 8.310 0.217 0.000 0.522 313 D N 4.649 125.155 120.400 0.176 0.000 2.265 313 D HA -0.208 4.432 4.640 -0.000 0.000 0.208 313 D C 1.482 177.822 176.300 0.066 0.000 0.977 313 D CA 3.074 57.148 54.000 0.124 0.000 0.871 313 D CB -0.348 40.556 40.800 0.173 0.000 0.925 313 D HN 0.651 9.114 8.370 0.156 0.000 0.485 314 T N -3.072 111.560 114.554 0.130 0.000 2.755 314 T HA -0.303 4.047 4.350 -0.000 0.000 0.266 314 T C 1.414 176.205 174.700 0.152 0.000 1.041 314 T CA 2.744 64.918 62.100 0.124 0.000 1.147 314 T CB -0.749 68.204 68.868 0.143 0.000 0.847 314 T HN -0.313 7.970 8.240 0.152 0.048 0.478 315 W N -0.935 120.448 121.300 0.138 0.000 2.523 315 W HA -0.042 4.618 4.660 -0.000 0.000 0.278 315 W C 0.142 176.786 176.519 0.208 0.000 1.236 315 W CA -0.035 57.399 57.345 0.147 0.000 1.306 315 W CB -0.186 29.366 29.460 0.153 0.000 1.101 315 W HN -0.589 7.787 8.180 0.378 0.031 0.577 316 F N 2.739 122.067 119.950 -1.037 0.000 2.074 316 F HA -0.263 4.264 4.527 -0.000 0.000 0.293 316 F C 2.057 177.601 175.800 -0.426 0.000 1.116 316 F CA 2.234 59.594 58.000 -1.067 0.000 1.212 316 F CB 0.546 38.896 39.000 -1.083 0.000 0.998 316 F HN -0.447 7.316 8.300 -0.722 0.104 0.471 317 N N -0.534 117.890 118.700 -0.460 0.000 2.513 317 N HA -0.321 4.419 4.740 -0.000 0.000 0.187 317 N C 1.758 177.111 175.510 -0.262 0.000 1.056 317 N CA 3.136 55.944 53.050 -0.404 0.000 0.907 317 N CB -0.488 37.886 38.487 -0.188 0.000 0.954 317 N HN -0.278 7.952 8.380 -0.250 0.000 0.445 318 A N -1.879 120.839 122.820 -0.170 0.000 2.072 318 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 318 A C 0.263 177.831 177.584 -0.026 0.000 1.156 318 A CA 1.518 53.526 52.037 -0.049 0.000 0.701 318 A CB -0.640 18.386 19.000 0.043 0.000 0.816 318 A HN -0.193 7.777 8.150 -0.176 0.074 0.458 319 A N -1.506 121.260 122.820 -0.090 0.000 1.930 319 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 319 A C 2.131 179.703 177.584 -0.019 0.000 1.176 319 A CA 2.077 54.146 52.037 0.054 0.000 0.632 319 A CB 0.249 19.279 19.000 0.050 0.000 0.819 319 A HN -0.147 7.689 8.150 -0.231 0.175 0.445 320 I N -0.920 119.484 120.570 -0.277 0.000 2.202 320 I HA -0.440 3.730 4.170 -0.000 0.000 0.242 320 I C 1.603 177.651 176.117 -0.115 0.000 1.091 320 I CA 3.607 64.755 61.300 -0.252 0.000 1.368 320 I CB 0.009 37.727 38.000 -0.469 0.000 1.058 320 I HN -0.500 7.426 8.210 -0.473 0.000 0.410 321 A N -1.671 121.085 122.820 -0.107 0.000 2.248 321 A HA -0.142 4.178 4.320 -0.000 0.000 0.210 321 A C 0.506 178.067 177.584 -0.038 0.000 1.174 321 A CA 2.043 54.045 52.037 -0.057 0.000 0.750 321 A CB -1.027 17.945 19.000 -0.048 0.000 0.780 321 A HN -0.116 7.770 8.150 -0.152 0.173 0.478 322 M N -1.983 117.596 119.600 -0.035 0.000 2.502 322 M HA -0.028 4.452 4.480 -0.000 0.000 0.243 322 M C -0.559 175.668 176.300 -0.121 0.000 1.130 322 M CA 0.178 55.453 55.300 -0.041 0.000 1.055 322 M CB 0.882 33.496 32.600 0.024 0.000 1.457 322 M HN -0.710 7.364 8.290 -0.031 0.197 0.488 323 N N -2.342 116.285 118.700 -0.122 0.000 2.693 323 N HA -0.395 4.345 4.740 -0.000 0.000 0.250 323 N C -0.906 174.470 175.510 -0.225 0.000 1.033 323 N CA 1.671 54.637 53.050 -0.139 0.000 0.747 323 N CB -1.766 36.667 38.487 -0.089 0.000 0.964 323 N HN -0.491 7.766 8.380 -0.089 0.070 0.540 324 K N -1.139 119.018 120.400 -0.406 0.000 2.109 324 K HA 0.422 4.742 4.320 -0.000 0.000 0.243 324 K C -0.446 175.818 176.600 -0.560 0.000 1.006 324 K CA -2.487 53.457 56.287 -0.570 0.000 0.917 324 K CB -0.372 31.556 32.500 -0.954 0.000 1.081 324 K HN -0.394 7.551 8.250 -0.455 0.032 0.468 325 P HA -0.215 4.205 4.420 -0.000 0.000 0.218 325 P C 0.450 177.655 177.300 -0.159 0.000 1.154 325 P CA 2.619 65.558 63.100 -0.268 0.000 0.872 325 P CB -0.061 31.537 31.700 -0.169 0.000 0.790 326 W N -6.663 114.654 121.300 0.028 0.000 3.180 326 W HA 0.145 4.805 4.660 -0.000 0.000 0.254 326 W C 0.305 176.840 176.519 0.027 0.000 1.318 326 W CA -1.582 55.783 57.345 0.034 0.000 1.608 326 W CB -1.468 28.019 29.460 0.046 0.000 1.124 326 W HN -0.414 7.077 8.180 -1.148 0.000 0.694 327 S N 2.860 118.613 115.700 0.088 0.000 2.345 327 S HA -0.252 4.218 4.470 -0.000 0.000 0.219 327 S C 2.044 176.686 174.600 0.069 0.000 1.031 327 S CA 3.338 61.591 58.200 0.087 0.000 0.984 327 S CB -0.122 63.032 63.200 -0.078 0.000 0.874 327 S HN 0.098 8.101 8.310 -0.193 0.191 0.451 328 E N 0.437 120.679 120.200 0.070 0.000 2.150 328 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 328 E C 1.868 178.577 176.600 0.183 0.000 0.985 328 E CA 2.530 59.021 56.400 0.151 0.000 0.814 328 E CB -0.220 29.530 29.700 0.082 0.000 0.752 328 E HN 0.124 8.498 8.360 0.023 0.000 0.466 329 K N -0.670 119.813 120.400 0.139 0.000 2.113 329 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 329 K C 2.287 178.979 176.600 0.153 0.000 1.047 329 K CA 2.897 59.269 56.287 0.142 0.000 0.928 329 K CB -0.381 32.209 32.500 0.150 0.000 0.716 329 K HN -0.147 8.158 8.250 0.122 0.018 0.446 330 L N -2.950 118.361 121.223 0.147 0.000 2.642 330 L HA -0.264 4.076 4.340 -0.000 0.000 0.236 330 L C 2.306 179.245 176.870 0.114 0.000 1.169 330 L CA 1.601 56.535 54.840 0.156 0.000 0.851 330 L CB -1.005 41.127 42.059 0.122 0.000 0.968 330 L HN -0.586 7.613 8.230 0.150 0.120 0.453 331 H N 0.272 119.406 119.070 0.106 0.000 2.512 331 H HA -0.079 4.477 4.556 -0.000 0.000 0.279 331 H C 1.291 176.675 175.328 0.094 0.000 0.999 331 H CA 3.295 59.395 56.048 0.088 0.000 1.283 331 H CB 0.123 29.904 29.762 0.032 0.000 1.421 331 H HN -0.255 7.941 8.280 0.203 0.206 0.554 332 D N -2.152 118.357 120.400 0.181 0.000 2.349 332 D HA -0.024 4.616 4.640 -0.000 0.000 0.224 332 D C 0.182 176.536 176.300 0.090 0.000 1.029 332 D CA 2.157 56.227 54.000 0.116 0.000 0.879 332 D CB 0.344 41.198 40.800 0.089 0.000 0.906 332 D HN 0.122 8.448 8.370 0.179 0.152 0.528 333 V N -1.524 118.458 119.914 0.113 0.000 3.502 333 V HA 0.106 4.226 4.120 -0.000 0.000 0.288 333 V C 1.094 177.198 176.094 0.016 0.000 1.461 333 V CA -0.166 62.166 62.300 0.052 0.000 1.029 333 V CB 1.148 32.996 31.823 0.041 0.000 0.843 333 V HN -0.718 7.352 8.190 0.164 0.219 0.438 334 S N 2.255 118.048 115.700 0.154 0.000 2.404 334 S HA -0.442 4.028 4.470 -0.000 0.000 0.230 334 S C 1.819 176.454 174.600 0.058 0.000 1.046 334 S CA 4.480 62.806 58.200 0.210 0.000 1.135 334 S CB -0.653 62.691 63.200 0.241 0.000 1.056 334 S HN -0.336 7.969 8.310 0.194 0.121 0.426 335 E N -0.867 119.371 120.200 0.064 0.000 2.110 335 E HA -0.300 4.050 4.350 -0.000 0.000 0.193 335 E C 2.749 179.375 176.600 0.044 0.000 0.988 335 E CA 3.176 59.610 56.400 0.056 0.000 0.804 335 E CB -0.768 28.956 29.700 0.040 0.000 0.745 335 E HN 0.471 8.877 8.360 0.077 0.000 0.458 336 E N -0.357 119.841 120.200 -0.003 0.000 2.106 336 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 336 E C 2.669 179.225 176.600 -0.073 0.000 0.984 336 E CA 3.092 59.475 56.400 -0.028 0.000 0.806 336 E CB -0.152 29.524 29.700 -0.040 0.000 0.750 336 E HN -0.312 8.045 8.360 -0.004 0.000 0.458 337 V N -0.560 119.254 119.914 -0.168 0.000 2.548 337 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 337 V C 1.807 177.783 176.094 -0.196 0.000 1.055 337 V CA 4.287 66.406 62.300 -0.300 0.000 1.065 337 V CB -0.730 30.639 31.823 -0.757 0.000 0.681 337 V HN 0.169 8.255 8.190 -0.173 0.000 0.462 338 H N 0.553 119.513 119.070 -0.183 0.000 2.363 338 H HA -0.223 4.333 4.556 -0.000 0.000 0.301 338 H C 2.086 177.406 175.328 -0.013 0.000 1.074 338 H CA 4.096 60.104 56.048 -0.067 0.000 1.354 338 H CB 0.385 30.138 29.762 -0.015 0.000 1.397 338 H HN 0.370 8.461 8.280 -0.000 0.189 0.516 339 R N -1.756 118.781 120.500 0.062 0.000 2.120 339 R HA -0.343 3.997 4.340 -0.000 0.000 0.234 339 R C 2.166 178.449 176.300 -0.028 0.000 1.123 339 R CA 2.735 58.853 56.100 0.030 0.000 0.975 339 R CB -0.442 29.896 30.300 0.063 0.000 0.866 339 R HN 0.046 8.378 8.270 0.103 0.000 0.446 340 A N -0.171 122.631 122.820 -0.031 0.000 1.845 340 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 340 A C 2.133 179.721 177.584 0.008 0.000 1.195 340 A CA 3.024 55.057 52.037 -0.007 0.000 0.616 340 A CB -0.872 18.123 19.000 -0.008 0.000 0.832 340 A HN -0.636 7.474 8.150 -0.037 0.019 0.443 341 L N -2.856 118.368 121.223 0.001 0.000 2.127 341 L HA -0.467 3.873 4.340 -0.000 0.000 0.211 341 L C 2.596 179.436 176.870 -0.050 0.000 1.089 341 L CA 2.777 57.641 54.840 0.040 0.000 0.757 341 L CB -0.568 41.537 42.059 0.076 0.000 0.899 341 L HN -0.568 7.647 8.230 -0.025 0.000 0.434 342 Q N -2.020 117.684 119.800 -0.160 0.000 2.378 342 Q HA -0.194 4.146 4.340 -0.000 0.000 0.205 342 Q C 1.582 177.562 176.000 -0.033 0.000 0.954 342 Q CA 2.507 58.233 55.803 -0.127 0.000 0.901 342 Q CB -0.073 28.558 28.738 -0.178 0.000 0.981 342 Q HN -0.017 8.010 8.270 -0.217 0.112 0.483 343 K N -1.136 119.255 120.400 -0.016 0.000 2.323 343 K HA -0.094 4.226 4.320 -0.000 0.000 0.197 343 K C 2.163 178.774 176.600 0.018 0.000 1.043 343 K CA 1.925 58.216 56.287 0.007 0.000 0.997 343 K CB 0.271 32.778 32.500 0.010 0.000 0.807 343 K HN -0.226 7.819 8.250 -0.027 0.189 0.497 344 L N 0.022 121.261 121.223 0.027 0.000 2.131 344 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 344 L C 1.402 178.286 176.870 0.023 0.000 1.087 344 L CA 2.369 57.232 54.840 0.039 0.000 0.767 344 L CB -0.098 42.008 42.059 0.078 0.000 0.917 344 L HN 0.311 8.325 8.230 0.023 0.230 0.441 345 Q N -2.174 117.636 119.800 0.017 0.000 2.224 345 Q HA -0.373 3.967 4.340 -0.000 0.000 0.203 345 Q C 2.541 178.547 176.000 0.009 0.000 0.970 345 Q CA 3.381 59.191 55.803 0.012 0.000 0.865 345 Q CB -0.403 28.341 28.738 0.010 0.000 0.922 345 Q HN -0.377 7.901 8.270 0.014 0.000 0.445 346 Q N 0.147 119.953 119.800 0.010 0.000 2.123 346 Q HA -0.242 4.098 4.340 -0.000 0.000 0.199 346 Q C 2.141 178.145 176.000 0.007 0.000 0.966 346 Q CA 3.410 59.219 55.803 0.011 0.000 0.845 346 Q CB -0.417 28.329 28.738 0.014 0.000 0.907 346 Q HN -0.297 7.844 8.270 0.010 0.135 0.439 347 I N -0.750 119.826 120.570 0.010 0.000 2.163 347 I HA -0.549 3.621 4.170 -0.000 0.000 0.243 347 I C 1.892 178.005 176.117 -0.005 0.000 1.085 347 I CA 3.747 65.052 61.300 0.009 0.000 1.347 347 I CB -0.392 37.618 38.000 0.018 0.000 1.044 347 I HN -0.797 7.324 8.210 0.013 0.097 0.408 348 E N -1.066 119.130 120.200 -0.008 0.000 2.110 348 E HA -0.405 3.945 4.350 -0.000 0.000 0.193 348 E C 2.845 179.428 176.600 -0.028 0.000 0.988 348 E CA 3.504 59.892 56.400 -0.021 0.000 0.804 348 E CB -0.547 29.144 29.700 -0.015 0.000 0.745 348 E HN -0.438 7.921 8.360 -0.001 0.000 0.458 349 E N -0.995 119.196 120.200 -0.015 0.000 2.107 349 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 349 E C 2.133 178.719 176.600 -0.024 0.000 0.982 349 E CA 2.421 58.813 56.400 -0.013 0.000 0.809 349 E CB -0.119 29.582 29.700 0.001 0.000 0.756 349 E HN -0.508 7.753 8.360 -0.006 0.096 0.459 350 E N -1.277 118.909 120.200 -0.023 0.000 2.017 350 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 350 E C 2.374 178.924 176.600 -0.082 0.000 0.997 350 E CA 2.547 58.929 56.400 -0.030 0.000 0.804 350 E CB 0.347 30.041 29.700 -0.010 0.000 0.757 350 E HN 0.111 8.281 8.360 -0.014 0.182 0.448 351 T N -7.790 106.694 114.554 -0.116 0.000 2.951 351 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 351 T C 1.429 175.976 174.700 -0.256 0.000 1.073 351 T CA 0.696 62.642 62.100 -0.258 0.000 1.134 351 T CB 0.343 69.082 68.868 -0.215 0.000 0.884 351 T HN 0.115 8.204 8.240 -0.072 0.107 0.479 352 G N 3.223 111.938 108.800 -0.142 0.000 2.212 352 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.255 352 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.255 352 G C -1.069 173.765 174.900 -0.110 0.000 1.062 352 G CA 0.619 45.651 45.100 -0.113 0.000 0.815 352 G HN -0.155 7.952 8.290 -0.101 0.122 0.497 353 L N -3.914 117.254 121.223 -0.092 0.000 2.357 353 L HA 0.411 4.751 4.340 -0.000 0.000 0.244 353 L C -1.397 175.445 176.870 -0.047 0.000 1.115 353 L CA -1.703 53.096 54.840 -0.069 0.000 0.919 353 L CB 3.066 45.085 42.059 -0.067 0.000 1.532 353 L HN -0.614 7.564 8.230 -0.086 0.000 0.416 354 T N -7.263 107.265 114.554 -0.044 0.000 2.936 354 T HA 0.365 4.715 4.350 -0.000 0.000 0.282 354 T C 0.763 175.435 174.700 -0.046 0.000 1.003 354 T CA -1.821 60.252 62.100 -0.045 0.000 1.005 354 T CB 1.701 70.535 68.868 -0.056 0.000 1.097 354 T HN -0.252 7.960 8.240 -0.047 0.000 0.532 355 I N 1.212 121.746 120.570 -0.059 0.000 2.286 355 I HA -0.384 3.786 4.170 -0.000 0.000 0.248 355 I C 1.518 177.590 176.117 -0.075 0.000 1.115 355 I CA 2.662 63.923 61.300 -0.065 0.000 1.392 355 I CB -1.315 36.624 38.000 -0.102 0.000 1.065 355 I HN 0.255 8.692 8.210 -0.064 -0.266 0.418 356 E N -1.287 118.857 120.200 -0.094 0.000 2.153 356 E HA -0.342 4.008 4.350 -0.000 0.000 0.194 356 E C 2.504 179.065 176.600 -0.065 0.000 0.988 356 E CA 3.057 59.401 56.400 -0.093 0.000 0.811 356 E CB -0.750 28.886 29.700 -0.105 0.000 0.746 356 E HN 0.341 8.632 8.360 -0.100 0.009 0.466 357 Q N -0.156 119.613 119.800 -0.051 0.000 2.062 357 Q HA -0.229 4.111 4.340 -0.000 0.000 0.196 357 Q C 2.377 178.376 176.000 -0.003 0.000 0.967 357 Q CA 3.229 59.012 55.803 -0.033 0.000 0.832 357 Q CB 0.300 29.017 28.738 -0.035 0.000 0.899 357 Q HN -0.592 7.512 8.270 -0.056 0.132 0.442 358 V N 0.624 120.547 119.914 0.014 0.000 2.332 358 V HA -0.479 3.641 4.120 -0.000 0.000 0.248 358 V C 2.112 178.215 176.094 0.016 0.000 1.055 358 V CA 4.882 67.219 62.300 0.062 0.000 1.038 358 V CB -1.023 30.841 31.823 0.069 0.000 0.651 358 V HN 0.012 8.200 8.190 -0.003 0.000 0.450 359 K N -1.801 118.590 120.400 -0.016 0.000 2.057 359 K HA -0.370 3.950 4.320 -0.000 0.000 0.206 359 K C 2.178 178.757 176.600 -0.034 0.000 1.050 359 K CA 3.518 59.786 56.287 -0.032 0.000 0.935 359 K CB -0.560 31.910 32.500 -0.050 0.000 0.715 359 K HN -0.308 7.922 8.250 -0.024 0.006 0.439 360 D N 0.610 120.990 120.400 -0.033 0.000 2.088 360 D HA -0.250 4.390 4.640 -0.000 0.000 0.191 360 D C 2.327 178.611 176.300 -0.027 0.000 0.992 360 D CA 3.473 57.454 54.000 -0.032 0.000 0.831 360 D CB -0.225 40.555 40.800 -0.033 0.000 0.973 360 D HN -0.517 7.744 8.370 -0.034 0.090 0.447 361 I N -1.023 119.538 120.570 -0.015 0.000 2.194 361 I HA -0.633 3.537 4.170 -0.000 0.000 0.246 361 I C 2.131 178.224 176.117 -0.039 0.000 1.093 361 I CA 4.302 65.594 61.300 -0.014 0.000 1.355 361 I CB -0.237 37.775 38.000 0.020 0.000 1.046 361 I HN 0.039 8.245 8.210 -0.006 0.000 0.413 362 N N -1.231 117.440 118.700 -0.048 0.000 2.142 362 N HA -0.298 4.442 4.740 -0.000 0.000 0.186 362 N C 2.031 177.510 175.510 -0.052 0.000 1.023 362 N CA 3.620 56.630 53.050 -0.066 0.000 0.852 362 N CB -0.135 38.312 38.487 -0.066 0.000 0.998 362 N HN -0.525 7.823 8.380 -0.034 0.012 0.424 363 R N 0.638 121.113 120.500 -0.042 0.000 2.081 363 R HA -0.343 3.997 4.340 -0.000 0.000 0.235 363 R C 2.262 178.541 176.300 -0.035 0.000 1.131 363 R CA 3.606 59.684 56.100 -0.037 0.000 0.960 363 R CB -0.064 30.215 30.300 -0.035 0.000 0.856 363 R HN 0.136 8.303 8.270 -0.039 0.080 0.436 364 R N -2.039 118.441 120.500 -0.034 0.000 2.115 364 R HA -0.300 4.040 4.340 -0.000 0.000 0.230 364 R C 2.552 178.831 176.300 -0.035 0.000 1.111 364 R CA 3.076 59.157 56.100 -0.030 0.000 0.976 364 R CB -0.254 30.031 30.300 -0.025 0.000 0.870 364 R HN -0.057 8.190 8.270 -0.034 0.003 0.445 365 M N 1.159 120.733 119.600 -0.043 0.000 2.117 365 M HA -0.365 4.115 4.480 -0.000 0.000 0.262 365 M C 1.584 177.856 176.300 -0.047 0.000 1.065 365 M CA 3.704 58.974 55.300 -0.050 0.000 1.114 365 M CB -0.002 32.556 32.600 -0.068 0.000 1.361 365 M HN 0.013 8.165 8.290 -0.046 0.110 0.408 366 S N 0.928 116.601 115.700 -0.045 0.000 2.382 366 S HA -0.356 4.114 4.470 -0.000 0.000 0.228 366 S C 2.225 176.805 174.600 -0.034 0.000 1.027 366 S CA 3.507 61.684 58.200 -0.039 0.000 0.991 366 S CB -0.321 62.857 63.200 -0.037 0.000 0.823 366 S HN 0.015 8.297 8.310 -0.047 0.000 0.469 367 I N 1.081 121.632 120.570 -0.032 0.000 2.226 367 I HA -0.465 3.705 4.170 -0.000 0.000 0.245 367 I C 1.832 177.932 176.117 -0.029 0.000 1.100 367 I CA 3.652 64.935 61.300 -0.028 0.000 1.374 367 I CB -0.460 37.525 38.000 -0.026 0.000 1.057 367 I HN -0.475 7.629 8.210 -0.033 0.086 0.413 368 G N -1.047 107.734 108.800 -0.033 0.000 2.414 368 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 368 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 368 G C 0.941 175.819 174.900 -0.037 0.000 1.188 368 G CA 1.954 47.033 45.100 -0.036 0.000 0.783 368 G HN -0.494 7.687 8.290 -0.034 0.088 0.537 369 E N 2.299 122.476 120.200 -0.039 0.000 2.118 369 E HA -0.424 3.926 4.350 -0.000 0.000 0.195 369 E C 2.482 179.065 176.600 -0.028 0.000 0.992 369 E CA 2.928 59.307 56.400 -0.035 0.000 0.804 369 E CB -0.058 29.621 29.700 -0.035 0.000 0.741 369 E HN 0.313 8.482 8.360 -0.041 0.167 0.458 370 A N -1.508 121.296 122.820 -0.027 0.000 1.970 370 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 370 A C 1.594 179.165 177.584 -0.022 0.000 1.170 370 A CA 2.836 54.859 52.037 -0.023 0.000 0.645 370 A CB -0.608 18.379 19.000 -0.023 0.000 0.816 370 A HN 0.340 8.350 8.150 -0.029 0.123 0.447 371 K N -0.402 119.984 120.400 -0.024 0.000 2.062 371 K HA -0.258 4.062 4.320 -0.000 0.000 0.205 371 K C 1.961 178.547 176.600 -0.022 0.000 1.051 371 K CA 2.929 59.202 56.287 -0.023 0.000 0.941 371 K CB 0.010 32.495 32.500 -0.024 0.000 0.719 371 K HN -0.357 7.781 8.250 -0.026 0.097 0.440 372 A N -1.226 121.581 122.820 -0.023 0.000 1.873 372 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 372 A C 1.776 179.351 177.584 -0.016 0.000 1.186 372 A CA 3.096 55.122 52.037 -0.019 0.000 0.616 372 A CB -0.845 18.142 19.000 -0.022 0.000 0.823 372 A HN -0.005 8.129 8.150 -0.026 0.000 0.442 373 R N -1.338 119.152 120.500 -0.016 0.000 2.080 373 R HA -0.390 3.950 4.340 -0.000 0.000 0.236 373 R C 2.025 178.316 176.300 -0.016 0.000 1.137 373 R CA 3.541 59.633 56.100 -0.014 0.000 0.943 373 R CB -0.050 30.241 30.300 -0.015 0.000 0.846 373 R HN -0.219 8.039 8.270 -0.019 0.000 0.431 374 R N -1.311 119.177 120.500 -0.019 0.000 2.094 374 R HA -0.356 3.984 4.340 -0.000 0.000 0.239 374 R C 2.209 178.494 176.300 -0.024 0.000 1.137 374 R CA 2.927 59.015 56.100 -0.020 0.000 0.943 374 R CB -0.532 29.755 30.300 -0.021 0.000 0.850 374 R HN -0.268 7.991 8.270 -0.019 0.000 0.433 375 A N -2.157 120.647 122.820 -0.026 0.000 1.933 375 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 375 A C 2.432 179.993 177.584 -0.039 0.000 1.175 375 A CA 3.029 55.046 52.037 -0.033 0.000 0.628 375 A CB -0.810 18.172 19.000 -0.030 0.000 0.814 375 A HN -0.227 7.909 8.150 -0.024 0.000 0.444 376 K N -2.151 118.233 120.400 -0.028 0.000 2.103 376 K HA -0.297 4.023 4.320 -0.000 0.000 0.204 376 K C 1.999 178.582 176.600 -0.029 0.000 1.052 376 K CA 3.059 59.330 56.287 -0.027 0.000 0.945 376 K CB -0.123 32.373 32.500 -0.006 0.000 0.722 376 K HN 0.005 8.158 8.250 -0.021 0.085 0.443 377 K N 0.451 120.837 120.400 -0.023 0.000 2.057 377 K HA -0.373 3.947 4.320 -0.000 0.000 0.207 377 K C 2.304 178.889 176.600 -0.025 0.000 1.049 377 K CA 3.608 59.884 56.287 -0.019 0.000 0.931 377 K CB -0.103 32.388 32.500 -0.016 0.000 0.714 377 K HN -0.095 8.142 8.250 -0.021 0.000 0.440 378 E N -1.999 118.180 120.200 -0.035 0.000 2.204 378 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 378 E C 2.385 178.947 176.600 -0.063 0.000 0.989 378 E CA 2.602 58.977 56.400 -0.042 0.000 0.824 378 E CB -0.240 29.432 29.700 -0.046 0.000 0.756 378 E HN -0.389 7.949 8.360 -0.035 0.001 0.477 379 M N -0.013 119.533 119.600 -0.090 0.000 2.193 379 M HA -0.228 4.252 4.480 -0.000 0.000 0.265 379 M C 1.836 178.086 176.300 -0.082 0.000 1.071 379 M CA 2.948 58.151 55.300 -0.162 0.000 1.140 379 M CB -0.080 32.366 32.600 -0.258 0.000 1.369 379 M HN -0.797 7.296 8.290 -0.077 0.152 0.423 380 V N -0.838 119.061 119.914 -0.025 0.000 2.307 380 V HA -0.467 3.653 4.120 -0.000 0.000 0.245 380 V C 2.654 178.759 176.094 0.020 0.000 1.045 380 V CA 4.371 66.685 62.300 0.024 0.000 1.024 380 V CB -0.745 31.089 31.823 0.018 0.000 0.651 380 V HN 0.044 8.214 8.190 -0.034 0.000 0.449 381 E N -1.216 118.985 120.200 0.002 0.000 2.268 381 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 381 E C 2.279 178.884 176.600 0.009 0.000 0.995 381 E CA 2.668 59.072 56.400 0.005 0.000 0.836 381 E CB -0.338 29.360 29.700 -0.002 0.000 0.763 381 E HN 0.154 8.509 8.360 -0.009 0.000 0.491 382 A N -2.217 120.602 122.820 -0.001 0.000 2.123 382 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 382 A C -0.032 177.574 177.584 0.036 0.000 1.152 382 A CA 1.763 53.803 52.037 0.005 0.000 0.728 382 A CB -0.140 18.845 19.000 -0.024 0.000 0.814 382 A HN -0.503 7.506 8.150 -0.016 0.131 0.464 383 N N -3.253 115.483 118.700 0.060 0.000 2.234 383 N HA 0.216 4.956 4.740 -0.000 0.000 0.227 383 N C 0.244 175.799 175.510 0.076 0.000 1.151 383 N CA -0.058 53.053 53.050 0.103 0.000 0.865 383 N CB 0.737 39.347 38.487 0.206 0.000 1.066 383 N HN -0.555 7.687 8.380 0.048 0.166 0.515 384 L N -0.544 120.710 121.223 0.052 0.000 2.376 384 L HA -0.232 4.108 4.340 -0.000 0.000 0.219 384 L C 1.415 178.311 176.870 0.044 0.000 1.133 384 L CA 2.676 57.541 54.840 0.040 0.000 0.816 384 L CB -0.584 41.495 42.059 0.032 0.000 0.933 384 L HN -0.841 7.416 8.230 0.045 0.000 0.449 385 R N -1.178 119.351 120.500 0.049 0.000 2.066 385 R HA -0.326 4.014 4.340 -0.000 0.000 0.232 385 R C 2.056 178.386 176.300 0.051 0.000 1.131 385 R CA 3.297 59.428 56.100 0.051 0.000 0.955 385 R CB -0.486 29.843 30.300 0.048 0.000 0.851 385 R HN -0.180 8.080 8.270 0.050 0.039 0.432 386 L N -1.448 119.808 121.223 0.054 0.000 2.012 386 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 386 L C 1.679 178.570 176.870 0.035 0.000 1.073 386 L CA 3.008 57.878 54.840 0.049 0.000 0.748 386 L CB -0.419 41.677 42.059 0.061 0.000 0.891 386 L HN -0.400 7.785 8.230 0.061 0.081 0.431 387 V N -0.686 119.245 119.914 0.029 0.000 2.287 387 V HA -0.524 3.596 4.120 -0.000 0.000 0.248 387 V C 2.038 178.123 176.094 -0.015 0.000 1.053 387 V CA 4.795 67.096 62.300 0.002 0.000 1.027 387 V CB -0.644 31.174 31.823 -0.008 0.000 0.646 387 V HN -0.604 7.609 8.190 0.039 0.000 0.447 388 I N -1.914 118.661 120.570 0.008 0.000 2.226 388 I HA -0.582 3.588 4.170 -0.000 0.000 0.245 388 I C 1.779 177.944 176.117 0.080 0.000 1.100 388 I CA 4.281 65.606 61.300 0.042 0.000 1.374 388 I CB -0.416 37.660 38.000 0.126 0.000 1.057 388 I HN -0.526 7.699 8.210 0.025 0.000 0.413 389 S N 0.798 116.536 115.700 0.062 0.000 2.359 389 S HA -0.290 4.180 4.470 -0.000 0.000 0.224 389 S C 1.870 176.490 174.600 0.033 0.000 1.035 389 S CA 3.613 61.844 58.200 0.052 0.000 1.018 389 S CB -0.054 63.169 63.200 0.039 0.000 0.876 389 S HN -0.221 8.121 8.310 0.054 0.000 0.448 390 I N 0.938 121.527 120.570 0.031 0.000 2.286 390 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 390 I C 1.809 177.971 176.117 0.076 0.000 1.104 390 I CA 2.957 64.283 61.300 0.043 0.000 1.397 390 I CB 0.208 38.255 38.000 0.078 0.000 1.072 390 I HN -0.516 7.713 8.210 0.031 0.000 0.417 391 A N 0.570 123.422 122.820 0.053 0.000 1.940 391 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 391 A C 1.812 179.451 177.584 0.091 0.000 1.176 391 A CA 3.296 55.353 52.037 0.034 0.000 0.631 391 A CB -0.946 17.917 19.000 -0.230 0.000 0.814 391 A HN 0.311 8.468 8.150 0.012 0.000 0.446 392 K N -3.621 116.858 120.400 0.132 0.000 2.519 392 K HA -0.252 4.068 4.320 -0.000 0.000 0.196 392 K C 1.897 178.505 176.600 0.014 0.000 1.041 392 K CA 2.389 58.779 56.287 0.172 0.000 0.954 392 K CB -0.321 32.271 32.500 0.153 0.000 0.774 392 K HN -0.144 8.166 8.250 0.109 0.005 0.480 393 K N -2.639 117.688 120.400 -0.122 0.000 2.356 393 K HA -0.069 4.251 4.320 -0.000 0.000 0.195 393 K C 0.921 177.203 176.600 -0.531 0.000 1.037 393 K CA 1.133 57.202 56.287 -0.363 0.000 1.014 393 K CB 0.939 33.105 32.500 -0.557 0.000 0.815 393 K HN -0.256 7.722 8.250 -0.086 0.220 0.507 394 Y N -2.615 117.692 120.300 0.011 0.000 2.736 394 Y HA 0.194 4.744 4.550 -0.000 0.000 0.293 394 Y C 0.476 176.393 175.900 0.028 0.000 1.062 394 Y CA -1.304 56.796 58.100 0.000 0.000 1.247 394 Y CB -0.657 37.785 38.460 -0.031 0.000 1.200 394 Y HN 0.001 8.101 8.280 -0.021 0.167 0.552 395 T N 2.686 117.305 114.554 0.109 0.000 2.502 395 T HA -0.338 4.012 4.350 -0.000 0.000 0.258 395 T C 0.721 175.484 174.700 0.104 0.000 1.146 395 T CA 3.158 65.335 62.100 0.128 0.000 1.208 395 T CB -0.005 68.915 68.868 0.087 0.000 0.864 395 T HN -0.185 7.980 8.240 0.033 0.094 0.402 396 N N 0.572 119.312 118.700 0.066 0.000 2.455 396 N HA 0.111 4.851 4.740 -0.000 0.000 0.258 396 N C -0.392 175.149 175.510 0.052 0.000 1.158 396 N CA 0.238 53.319 53.050 0.052 0.000 0.893 396 N CB -1.141 37.365 38.487 0.031 0.000 1.173 396 N HN 0.193 8.602 8.380 0.048 0.000 0.503 397 R N -1.093 119.451 120.500 0.074 0.000 2.334 397 R HA 0.111 4.451 4.340 -0.000 0.000 0.220 397 R C 0.447 176.778 176.300 0.051 0.000 0.917 397 R CA -0.681 55.464 56.100 0.076 0.000 1.073 397 R CB -0.053 30.329 30.300 0.136 0.000 1.056 397 R HN -0.468 7.753 8.270 0.094 0.106 0.506 398 G N -2.923 105.902 108.800 0.043 0.000 2.255 398 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.196 398 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.196 398 G C -1.281 173.632 174.900 0.022 0.000 0.998 398 G CA -0.375 44.740 45.100 0.026 0.000 0.656 398 G HN 0.053 8.302 8.290 0.050 0.071 0.490 399 L N 1.065 122.307 121.223 0.032 0.000 2.385 399 L HA 0.238 4.578 4.340 -0.000 0.000 0.273 399 L C -1.525 175.375 176.870 0.051 0.000 0.990 399 L CA -0.877 53.977 54.840 0.023 0.000 0.821 399 L CB 2.482 44.539 42.059 -0.004 0.000 1.279 399 L HN -0.418 7.841 8.230 0.047 0.000 0.412 400 Q N 4.056 123.888 119.800 0.054 0.000 2.373 400 Q HA 0.029 4.369 4.340 -0.000 0.000 0.255 400 Q C 0.703 176.779 176.000 0.126 0.000 0.980 400 Q CA -0.554 55.306 55.803 0.096 0.000 0.882 400 Q CB 1.024 29.809 28.738 0.079 0.000 1.249 400 Q HN 0.185 8.477 8.270 0.037 0.000 0.438 401 F N 4.268 124.226 119.950 0.014 0.000 2.054 401 F HA -0.475 4.052 4.527 -0.000 0.000 0.294 401 F C 1.349 177.157 175.800 0.013 0.000 1.126 401 F CA 4.159 62.168 58.000 0.016 0.000 1.226 401 F CB -0.297 38.710 39.000 0.012 0.000 0.947 401 F HN 0.492 8.987 8.300 0.325 0.000 0.509 402 L N -3.157 118.162 121.223 0.161 0.000 2.349 402 L HA -0.355 3.985 4.340 -0.000 0.000 0.220 402 L C 0.680 177.529 176.870 -0.036 0.000 1.130 402 L CA 2.385 57.254 54.840 0.048 0.000 0.791 402 L CB -0.384 41.732 42.059 0.096 0.000 0.918 402 L HN -0.206 8.184 8.230 0.267 0.000 0.444 403 D N -1.735 118.644 120.400 -0.034 0.000 2.277 403 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 403 D C 1.880 178.127 176.300 -0.089 0.000 0.970 403 D CA 2.279 56.252 54.000 -0.046 0.000 0.874 403 D CB -0.072 40.716 40.800 -0.021 0.000 0.982 403 D HN -0.170 8.146 8.370 0.000 0.054 0.504 404 L N -0.312 120.833 121.223 -0.131 0.000 2.141 404 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 404 L C 1.550 178.283 176.870 -0.229 0.000 1.094 404 L CA 2.686 57.422 54.840 -0.173 0.000 0.763 404 L CB 0.051 41.988 42.059 -0.204 0.000 0.908 404 L HN -0.737 7.318 8.230 -0.113 0.107 0.437 405 I N -7.273 113.123 120.570 -0.290 0.000 3.883 405 I HA 0.022 4.192 4.170 -0.000 0.000 0.326 405 I C 0.955 176.999 176.117 -0.123 0.000 1.283 405 I CA 0.933 62.093 61.300 -0.232 0.000 1.161 405 I CB -0.453 37.370 38.000 -0.294 0.000 1.012 405 I HN -0.255 7.750 8.210 -0.313 0.018 0.421 406 Q N 2.136 121.876 119.800 -0.100 0.000 2.165 406 Q HA -0.175 4.165 4.340 -0.000 0.000 0.197 406 Q C 1.891 177.856 176.000 -0.059 0.000 0.952 406 Q CA 3.314 59.080 55.803 -0.062 0.000 0.848 406 Q CB 0.409 29.119 28.738 -0.048 0.000 0.931 406 Q HN -0.699 7.303 8.270 -0.115 0.199 0.470 407 E N -1.227 118.929 120.200 -0.074 0.000 2.107 407 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 407 E C 2.521 179.076 176.600 -0.073 0.000 0.982 407 E CA 1.958 58.314 56.400 -0.073 0.000 0.809 407 E CB -0.381 29.264 29.700 -0.093 0.000 0.756 407 E HN -0.328 7.980 8.360 -0.086 0.000 0.459 408 G N -0.699 108.050 108.800 -0.085 0.000 2.480 408 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.216 408 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.216 408 G C 1.206 176.085 174.900 -0.035 0.000 1.200 408 G CA 2.002 47.061 45.100 -0.068 0.000 0.782 408 G HN -0.146 8.082 8.290 -0.103 0.000 0.554 409 N N 1.926 120.605 118.700 -0.035 0.000 2.192 409 N HA -0.277 4.463 4.740 -0.000 0.000 0.188 409 N C 2.317 177.824 175.510 -0.004 0.000 1.013 409 N CA 2.976 56.019 53.050 -0.013 0.000 0.863 409 N CB -0.007 38.469 38.487 -0.018 0.000 0.990 409 N HN -0.689 7.548 8.380 -0.055 0.111 0.430 410 I N -1.739 118.823 120.570 -0.013 0.000 2.439 410 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 410 I C 1.508 177.631 176.117 0.010 0.000 1.139 410 I CA 3.376 64.671 61.300 -0.008 0.000 1.438 410 I CB -0.252 37.739 38.000 -0.014 0.000 1.085 410 I HN -0.463 7.613 8.210 -0.025 0.118 0.427 411 G N -0.298 108.515 108.800 0.021 0.000 2.403 411 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 411 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 411 G C 0.951 175.898 174.900 0.079 0.000 1.154 411 G CA 1.848 46.995 45.100 0.080 0.000 0.784 411 G HN -0.216 7.956 8.290 -0.002 0.117 0.538 412 L N 2.452 123.706 121.223 0.051 0.000 2.027 412 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 412 L C 1.639 178.553 176.870 0.072 0.000 1.074 412 L CA 2.685 57.571 54.840 0.076 0.000 0.745 412 L CB -0.135 41.973 42.059 0.081 0.000 0.898 412 L HN -0.245 7.912 8.230 0.032 0.093 0.433 413 M N -3.132 116.488 119.600 0.032 0.000 2.267 413 M HA -0.497 3.983 4.480 -0.000 0.000 0.263 413 M C 2.494 178.774 176.300 -0.033 0.000 1.063 413 M CA 3.976 59.283 55.300 0.012 0.000 1.090 413 M CB -0.438 32.159 32.600 -0.004 0.000 1.392 413 M HN -0.152 8.153 8.290 0.024 0.000 0.422 414 K N -1.246 119.093 120.400 -0.101 0.000 2.076 414 K HA -0.229 4.091 4.320 -0.000 0.000 0.204 414 K C 1.847 178.180 176.600 -0.444 0.000 1.051 414 K CA 2.909 59.033 56.287 -0.272 0.000 0.949 414 K CB -0.172 32.124 32.500 -0.340 0.000 0.726 414 K HN -0.626 7.559 8.250 -0.064 0.027 0.443 415 A N 0.283 122.872 122.820 -0.385 0.000 1.877 415 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 415 A C 2.240 179.987 177.584 0.273 0.000 1.186 415 A CA 3.247 55.150 52.037 -0.224 0.000 0.620 415 A CB -0.688 18.266 19.000 -0.077 0.000 0.822 415 A HN -0.315 7.621 8.150 -0.224 0.079 0.443 416 V N -2.358 117.718 119.914 0.270 0.000 2.568 416 V HA -0.413 3.707 4.120 -0.000 0.000 0.253 416 V C 1.442 177.647 176.094 0.186 0.000 1.072 416 V CA 3.487 65.945 62.300 0.264 0.000 1.084 416 V CB -1.076 30.819 31.823 0.119 0.000 0.676 416 V HN 0.413 8.604 8.190 0.178 0.105 0.469 417 D N -0.870 119.588 120.400 0.096 0.000 2.110 417 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 417 D C 1.489 177.843 176.300 0.090 0.000 0.975 417 D CA 2.457 56.500 54.000 0.072 0.000 0.839 417 D CB 0.013 40.830 40.800 0.028 0.000 0.996 417 D HN -0.505 7.746 8.370 0.037 0.142 0.464 418 K N -2.711 117.729 120.400 0.067 0.000 2.366 418 K HA -0.151 4.169 4.320 -0.000 0.000 0.198 418 K C 0.866 177.545 176.600 0.130 0.000 1.044 418 K CA 0.934 57.286 56.287 0.109 0.000 0.973 418 K CB 0.496 33.048 32.500 0.086 0.000 0.767 418 K HN -0.473 7.761 8.250 -0.026 0.000 0.475 419 F N 2.256 122.180 119.950 -0.045 0.000 2.629 419 F HA -0.245 4.282 4.527 -0.000 0.000 0.369 419 F C -0.945 174.749 175.800 -0.177 0.000 1.125 419 F CA 1.372 59.173 58.000 -0.332 0.000 1.330 419 F CB 0.636 39.635 39.000 -0.001 0.000 1.071 419 F HN -0.589 7.899 8.300 0.385 0.042 0.595 420 E N 7.191 126.769 120.200 -1.035 0.000 2.265 420 E HA 0.340 4.690 4.350 -0.000 0.000 0.262 420 E C -1.165 174.786 176.600 -1.082 0.000 0.889 420 E CA -1.601 54.290 56.400 -0.850 0.000 0.789 420 E CB 1.687 31.100 29.700 -0.478 0.000 1.221 420 E HN 0.123 7.780 8.360 -1.171 0.000 0.414 421 Y N 1.439 121.211 120.300 -0.881 0.000 2.263 421 Y HA -0.274 4.276 4.550 -0.000 0.000 0.292 421 Y C 1.403 177.175 175.900 -0.214 0.000 1.130 421 Y CA 2.130 59.933 58.100 -0.495 0.000 1.179 421 Y CB -0.225 38.117 38.460 -0.198 0.000 0.998 421 Y HN 0.342 8.200 8.280 -0.703 0.000 0.532 422 R N -0.360 119.720 120.500 -0.700 0.000 2.170 422 R HA -0.304 4.036 4.340 -0.000 0.000 0.242 422 R C 1.363 177.573 176.300 -0.150 0.000 1.145 422 R CA 2.390 58.256 56.100 -0.390 0.000 0.984 422 R CB -0.961 29.046 30.300 -0.489 0.000 0.869 422 R HN 0.236 7.758 8.270 -1.247 0.000 0.455 423 R N -2.524 117.893 120.500 -0.139 0.000 2.328 423 R HA -0.106 4.234 4.340 -0.000 0.000 0.207 423 R C 0.940 177.327 176.300 0.144 0.000 1.056 423 R CA 0.248 56.362 56.100 0.023 0.000 1.016 423 R CB 0.174 30.493 30.300 0.032 0.000 0.872 423 R HN -0.524 7.553 8.270 -0.261 0.037 0.471 424 G N -1.828 107.030 108.800 0.097 0.000 2.184 424 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.264 424 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.264 424 G C -0.427 174.529 174.900 0.093 0.000 0.975 424 G CA 0.476 45.620 45.100 0.075 0.000 0.642 424 G HN 0.123 8.250 8.290 0.050 0.193 0.536 425 Y N -0.876 119.508 120.300 0.141 0.000 2.307 425 Y HA -0.076 4.474 4.550 -0.000 0.000 0.324 425 Y C -0.295 175.801 175.900 0.328 0.000 1.238 425 Y CA -0.796 57.433 58.100 0.214 0.000 1.280 425 Y CB 0.994 39.592 38.460 0.231 0.000 1.248 425 Y HN -0.470 8.045 8.280 0.488 0.057 0.508 426 K N 3.155 123.809 120.400 0.424 0.000 2.383 426 K HA -0.043 4.277 4.320 -0.000 0.000 0.286 426 K C 1.208 178.016 176.600 0.346 0.000 1.051 426 K CA -0.043 56.444 56.287 0.334 0.000 0.974 426 K CB 0.562 33.196 32.500 0.222 0.000 0.968 426 K HN 0.113 8.592 8.250 0.381 0.000 0.475 427 F N 8.087 128.104 119.950 0.112 0.000 2.065 427 F HA -0.474 4.053 4.527 -0.000 0.000 0.298 427 F C 1.206 177.007 175.800 0.000 0.000 1.112 427 F CA 3.903 61.768 58.000 -0.224 0.000 1.212 427 F CB 0.128 38.812 39.000 -0.527 0.000 0.975 427 F HN 0.715 9.254 8.300 0.399 0.000 0.476 428 S N -1.811 113.942 115.700 0.088 0.000 2.399 428 S HA -0.532 3.938 4.470 -0.000 0.000 0.235 428 S C 2.185 176.761 174.600 -0.040 0.000 1.063 428 S CA 4.095 62.308 58.200 0.021 0.000 1.070 428 S CB -0.824 62.438 63.200 0.103 0.000 0.904 428 S HN 0.587 9.044 8.310 0.244 0.000 0.456 429 T N 4.241 118.825 114.554 0.049 0.000 2.812 429 T HA -0.132 4.218 4.350 -0.000 0.000 0.264 429 T C 1.530 176.277 174.700 0.078 0.000 1.042 429 T CA 3.605 65.758 62.100 0.090 0.000 1.140 429 T CB -0.297 68.677 68.868 0.178 0.000 0.870 429 T HN -0.519 7.681 8.240 0.108 0.105 0.445 430 Y N 3.180 123.450 120.300 -0.049 0.000 2.114 430 Y HA -0.484 4.066 4.550 -0.000 0.000 0.284 430 Y C 0.739 176.647 175.900 0.012 0.000 1.143 430 Y CA 2.965 61.066 58.100 0.002 0.000 1.135 430 Y CB -0.176 38.298 38.460 0.023 0.000 0.980 430 Y HN -0.717 7.585 8.280 0.176 0.084 0.499 431 A N -2.602 119.995 122.820 -0.372 0.000 1.908 431 A HA -0.442 3.878 4.320 -0.000 0.000 0.218 431 A C 1.890 179.430 177.584 -0.073 0.000 1.181 431 A CA 3.287 55.126 52.037 -0.331 0.000 0.627 431 A CB -0.843 17.791 19.000 -0.610 0.000 0.818 431 A HN 0.412 8.176 8.150 -0.643 0.000 0.445 432 T N 0.955 115.468 114.554 -0.067 0.000 2.699 432 T HA -0.341 4.009 4.350 -0.000 0.000 0.268 432 T C 1.582 176.266 174.700 -0.027 0.000 1.036 432 T CA 4.542 66.631 62.100 -0.018 0.000 1.147 432 T CB -0.546 68.328 68.868 0.009 0.000 0.862 432 T HN -0.349 7.818 8.240 -0.102 0.012 0.446 433 W N 1.582 122.760 121.300 -0.204 0.000 2.388 433 W HA -0.303 4.357 4.660 -0.000 0.000 0.294 433 W C 1.430 177.730 176.519 -0.366 0.000 1.212 433 W CA 4.057 61.209 57.345 -0.323 0.000 1.271 433 W CB -0.091 29.072 29.460 -0.496 0.000 1.126 433 W HN -0.680 7.544 8.180 0.074 0.000 0.535 434 W N -2.003 119.234 121.300 -0.104 0.000 2.407 434 W HA -0.406 4.254 4.660 -0.000 0.000 0.305 434 W C 2.128 178.498 176.519 -0.249 0.000 1.196 434 W CA 3.225 60.463 57.345 -0.178 0.000 1.311 434 W CB 0.229 29.640 29.460 -0.082 0.000 1.135 434 W HN -0.914 7.341 8.180 0.126 0.000 0.514 435 I N -0.892 119.700 120.570 0.036 0.000 2.076 435 I HA -0.702 3.468 4.170 -0.000 0.000 0.237 435 I C 1.928 177.966 176.117 -0.131 0.000 1.059 435 I CA 4.488 65.771 61.300 -0.029 0.000 1.317 435 I CB -0.331 37.661 38.000 -0.012 0.000 1.037 435 I HN 0.640 8.896 8.210 0.076 0.000 0.398 436 R N -1.119 119.275 120.500 -0.177 0.000 2.094 436 R HA -0.520 3.820 4.340 -0.000 0.000 0.239 436 R C 1.801 177.850 176.300 -0.418 0.000 1.137 436 R CA 3.934 59.891 56.100 -0.238 0.000 0.943 436 R CB -0.259 29.931 30.300 -0.183 0.000 0.850 436 R HN -0.345 7.840 8.270 -0.142 0.000 0.433 437 Q N -0.699 118.736 119.800 -0.609 0.000 2.112 437 Q HA -0.308 4.032 4.340 -0.000 0.000 0.206 437 Q C 2.235 177.987 176.000 -0.412 0.000 0.987 437 Q CA 3.025 58.414 55.803 -0.691 0.000 0.858 437 Q CB -0.708 27.278 28.738 -1.254 0.000 0.905 437 Q HN -0.280 7.560 8.270 -0.716 0.000 0.420 438 A N -1.162 121.486 122.820 -0.287 0.000 1.969 438 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 438 A C 2.376 179.837 177.584 -0.204 0.000 1.169 438 A CA 2.707 54.639 52.037 -0.176 0.000 0.635 438 A CB -0.830 18.118 19.000 -0.088 0.000 0.810 438 A HN -0.153 7.832 8.150 -0.274 0.000 0.445 439 I N -2.147 118.263 120.570 -0.267 0.000 2.193 439 I HA -0.512 3.658 4.170 -0.000 0.000 0.240 439 I C 1.824 177.684 176.117 -0.429 0.000 1.084 439 I CA 4.033 65.140 61.300 -0.321 0.000 1.365 439 I CB 0.095 37.887 38.000 -0.346 0.000 1.064 439 I HN -0.327 7.598 8.210 -0.277 0.118 0.410 440 T N -1.090 113.137 114.554 -0.546 0.000 2.674 440 T HA -0.380 3.970 4.350 -0.000 0.000 0.265 440 T C 1.815 176.343 174.700 -0.286 0.000 1.039 440 T CA 3.768 65.578 62.100 -0.483 0.000 1.150 440 T CB -0.825 67.778 68.868 -0.442 0.000 0.864 440 T HN 0.583 8.379 8.240 -0.556 0.110 0.427 441 R N 1.323 121.671 120.500 -0.254 0.000 2.113 441 R HA -0.452 3.888 4.340 -0.000 0.000 0.244 441 R C 1.846 178.065 176.300 -0.134 0.000 1.142 441 R CA 3.479 59.475 56.100 -0.173 0.000 0.953 441 R CB -0.358 29.845 30.300 -0.162 0.000 0.860 441 R HN 0.066 8.155 8.270 -0.302 0.000 0.438 442 S N -2.383 113.231 115.700 -0.145 0.000 2.402 442 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 442 S C 2.208 176.748 174.600 -0.101 0.000 1.021 442 S CA 2.664 60.798 58.200 -0.109 0.000 0.974 442 S CB -0.192 62.941 63.200 -0.110 0.000 0.800 442 S HN -0.611 7.587 8.310 -0.177 0.006 0.484 443 I N 1.293 121.784 120.570 -0.132 0.000 2.493 443 I HA -0.348 3.822 4.170 -0.000 0.000 0.254 443 I C 1.875 177.949 176.117 -0.073 0.000 1.160 443 I CA 2.749 63.989 61.300 -0.099 0.000 1.445 443 I CB -0.126 37.801 38.000 -0.121 0.000 1.086 443 I HN -0.310 7.680 8.210 -0.182 0.110 0.433 444 A N -0.456 122.313 122.820 -0.084 0.000 2.014 444 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 444 A C 0.534 178.090 177.584 -0.045 0.000 1.163 444 A CA 2.818 54.819 52.037 -0.061 0.000 0.652 444 A CB -0.751 18.208 19.000 -0.069 0.000 0.808 444 A HN -0.123 7.837 8.150 -0.110 0.123 0.449 445 D N -2.489 117.882 120.400 -0.048 0.000 2.348 445 D HA 0.020 4.660 4.640 -0.000 0.000 0.211 445 D C 0.191 176.475 176.300 -0.027 0.000 0.998 445 D CA 0.539 54.518 54.000 -0.035 0.000 0.873 445 D CB 0.076 40.855 40.800 -0.035 0.000 0.925 445 D HN 0.071 8.265 8.370 -0.060 0.141 0.524 446 Q N 0.000 119.783 119.800 -0.028 0.000 2.315 446 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 446 Q CA 0.000 55.791 55.803 -0.019 0.000 1.022 446 Q CB 0.000 28.727 28.738 -0.019 0.000 1.108 446 Q HN 0.000 8.214 8.270 -0.035 0.035 0.481