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 2x6n_1_F DATA FIRST_RESID 119 DATA SEQUENCE QKPFDKFFMD YIGPLPPSQG YLYVLVVVDG MTGFTWLYPT KAPSTSATVK DATA SEQUENCE SLNVLTSIAI PRVIHSDQGA AFTSSTFAEW AKERGIHLEF STPYHXXXXX DATA SEQUENCE KVERKNSDMK RLLTKLLVGR PTKWYDLLPV VQLAMNNTYS PVLKYTPHQL DATA SEQUENCE LFGIDSNTPF ANQDTLDLTR EEELSLLQEI RTSLY 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 119 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 119 Q C 0.000 176.004 176.000 0.006 0.000 1.003 119 Q CA 0.000 55.808 55.803 0.009 0.000 1.022 119 Q CB 0.000 28.750 28.738 0.019 0.000 1.108 120 K N 1.787 122.190 120.400 0.005 0.000 2.340 120 K HA 0.849 5.169 4.320 -0.000 0.000 0.244 120 K C -2.745 173.859 176.600 0.007 0.000 0.973 120 K CA -2.245 54.047 56.287 0.007 0.000 0.828 120 K CB 2.606 35.115 32.500 0.014 0.000 1.226 120 K HN 0.399 8.649 8.250 -0.000 0.000 0.437 121 P HA 0.091 4.511 4.420 -0.000 0.000 0.268 121 P C -0.700 176.630 177.300 0.050 0.000 1.205 121 P CA 0.182 63.231 63.100 -0.085 0.000 0.771 121 P CB 0.069 31.666 31.700 -0.171 0.000 0.858 122 F N -0.502 119.506 119.950 0.096 0.000 2.699 122 F HA -0.249 4.278 4.527 -0.000 0.000 0.343 122 F C 1.125 176.747 175.800 -0.298 0.000 0.633 122 F CA 0.583 58.550 58.000 -0.054 0.000 1.365 122 F CB -1.896 37.086 39.000 -0.030 0.000 1.795 122 F HN 0.275 8.575 8.300 -0.000 0.000 0.304 123 D N 0.471 120.832 120.400 -0.066 0.000 2.120 123 D HA 0.008 4.648 4.640 -0.000 0.000 0.202 123 D C 1.010 177.176 176.300 -0.223 0.000 0.972 123 D CA 1.466 55.393 54.000 -0.122 0.000 0.837 123 D CB 0.102 40.868 40.800 -0.056 0.000 0.989 123 D HN 0.322 8.692 8.370 -0.000 0.000 0.469 124 K N -0.124 120.159 120.400 -0.195 0.000 2.507 124 K HA 0.258 4.578 4.320 -0.000 0.000 0.252 124 K C -1.541 175.013 176.600 -0.078 0.000 0.943 124 K CA -0.529 55.626 56.287 -0.221 0.000 0.808 124 K CB 1.013 33.393 32.500 -0.200 0.000 1.142 124 K HN -0.281 7.969 8.250 -0.000 0.000 0.426 125 F N 3.678 123.541 119.950 -0.145 0.000 2.443 125 F HA 0.464 4.992 4.527 0.001 0.000 0.335 125 F C -0.223 175.436 175.800 -0.235 0.000 1.104 125 F CA -1.081 56.883 58.000 -0.061 0.000 1.013 125 F CB 0.788 39.811 39.000 0.038 0.000 1.136 125 F HN 0.336 8.636 8.300 -0.000 0.000 0.470 126 F N 3.819 123.940 119.950 0.284 0.000 2.420 126 F HA 0.551 5.078 4.527 0.000 0.000 0.342 126 F C 0.211 176.069 175.800 0.095 0.000 1.113 126 F CA -0.505 57.600 58.000 0.175 0.000 1.059 126 F CB 1.555 40.632 39.000 0.129 0.000 1.128 126 F HN 0.293 8.593 8.300 -0.000 0.000 0.475 127 M N 3.900 123.597 119.600 0.162 0.000 2.327 127 M HA 0.474 4.953 4.480 -0.000 0.000 0.298 127 M C -2.180 174.049 176.300 -0.118 0.000 1.065 127 M CA -0.306 54.961 55.300 -0.055 0.000 0.916 127 M CB 1.815 34.269 32.600 -0.243 0.000 1.630 127 M HN 0.675 8.965 8.290 -0.000 0.000 0.442 128 D N 2.111 122.479 120.400 -0.053 0.000 2.623 128 D HA 0.366 5.006 4.640 -0.000 0.000 0.241 128 D C -2.113 174.212 176.300 0.043 0.000 1.241 128 D CA -0.075 53.978 54.000 0.089 0.000 0.788 128 D CB 1.596 42.477 40.800 0.135 0.000 1.413 128 D HN 0.495 8.865 8.370 -0.000 0.000 0.429 129 Y N 0.605 121.066 120.300 0.268 0.000 2.352 129 Y HA 0.510 5.060 4.550 -0.001 0.000 0.326 129 Y C 0.477 176.479 175.900 0.170 0.000 1.166 129 Y CA -0.552 57.676 58.100 0.214 0.000 1.182 129 Y CB 1.196 39.762 38.460 0.178 0.000 1.216 129 Y HN 0.254 8.534 8.280 -0.000 0.000 0.474 130 I N 0.003 120.764 120.570 0.318 0.000 2.797 130 I HA 1.056 5.226 4.170 -0.000 0.000 0.307 130 I C 0.216 176.443 176.117 0.184 0.000 1.033 130 I CA -0.705 60.703 61.300 0.180 0.000 1.071 130 I CB 2.076 40.097 38.000 0.035 0.000 1.255 130 I HN 0.695 8.905 8.210 -0.000 0.000 0.445 131 G N 3.199 112.008 108.800 0.015 0.000 2.371 131 G HA2 0.084 4.044 3.960 -0.000 0.000 0.663 131 G HA3 0.084 4.044 3.960 -0.000 0.000 0.663 131 G C -3.195 171.610 174.900 -0.158 0.000 1.311 131 G CA -0.837 44.117 45.100 -0.242 0.000 0.985 131 G HN 0.719 9.009 8.290 -0.000 0.000 0.566 132 P HA 0.520 4.940 4.420 -0.000 0.000 0.271 132 P C -0.148 176.923 177.300 -0.382 0.000 1.216 132 P CA -0.027 62.665 63.100 -0.680 0.000 0.776 132 P CB 0.779 32.265 31.700 -0.356 0.000 0.881 133 L N 3.473 124.476 121.223 -0.367 0.000 2.313 133 L HA 0.516 4.856 4.340 -0.000 0.000 0.268 133 L C -2.214 174.644 176.870 -0.020 0.000 1.010 133 L CA -2.867 51.821 54.840 -0.254 0.000 0.814 133 L CB 1.101 42.829 42.059 -0.552 0.000 1.304 133 L HN 0.164 8.394 8.230 -0.000 0.000 0.441 134 P HA 0.032 4.452 4.420 -0.000 0.000 0.264 134 P C -2.520 175.003 177.300 0.370 0.000 1.183 134 P CA -0.567 62.647 63.100 0.190 0.000 0.763 134 P CB -0.284 31.540 31.700 0.207 0.000 0.807 135 P HA 0.087 4.507 4.420 -0.000 0.000 0.275 135 P C -0.443 176.925 177.300 0.112 0.000 1.276 135 P CA 0.328 63.535 63.100 0.178 0.000 0.782 135 P CB 0.327 32.076 31.700 0.081 0.000 0.851 136 S N 3.756 119.484 115.700 0.046 0.000 2.667 136 S HA 0.171 4.641 4.470 -0.000 0.000 0.304 136 S C 0.121 174.587 174.600 -0.223 0.000 1.135 136 S CA -0.305 57.756 58.200 -0.232 0.000 1.125 136 S CB -0.361 62.339 63.200 -0.833 0.000 0.996 136 S HN 0.439 8.749 8.310 -0.000 0.000 0.474 137 Q N 2.712 122.423 119.800 -0.149 0.000 2.494 137 Q HA -0.208 4.132 4.340 -0.000 0.000 0.272 137 Q C 0.834 176.728 176.000 -0.177 0.000 1.145 137 Q CA 0.787 56.493 55.803 -0.161 0.000 0.943 137 Q CB -1.951 26.622 28.738 -0.275 0.000 1.338 137 Q HN 1.526 9.796 8.270 -0.000 0.000 0.492 138 G N -1.637 107.066 108.800 -0.161 0.000 2.157 138 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 138 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 138 G C -0.365 174.324 174.900 -0.352 0.000 0.979 138 G CA 0.369 45.313 45.100 -0.259 0.000 0.650 138 G HN 0.359 8.649 8.290 -0.000 0.000 0.529 139 Y N -1.129 119.136 120.300 -0.058 0.000 2.409 139 Y HA 0.733 5.282 4.550 -0.001 0.000 0.339 139 Y C 1.232 177.326 175.900 0.323 0.000 1.033 139 Y CA -0.882 57.289 58.100 0.117 0.000 1.094 139 Y CB 1.683 40.180 38.460 0.062 0.000 1.210 139 Y HN -0.038 8.242 8.280 -0.000 0.000 0.456 140 L N 1.309 122.847 121.223 0.525 0.000 3.076 140 L HA 0.288 4.628 4.340 -0.000 0.000 0.271 140 L C -1.156 175.674 176.870 -0.066 0.000 1.152 140 L CA 0.030 55.017 54.840 0.244 0.000 0.996 140 L CB 0.747 42.854 42.059 0.080 0.000 1.453 140 L HN 0.570 8.800 8.230 -0.000 0.000 0.571 141 Y N -1.020 119.487 120.300 0.345 0.000 2.609 141 Y HA 0.611 5.163 4.550 0.003 0.000 0.342 141 Y C -0.387 175.728 175.900 0.358 0.000 1.058 141 Y CA -1.046 57.210 58.100 0.260 0.000 1.055 141 Y CB 2.141 40.731 38.460 0.217 0.000 1.292 141 Y HN -0.469 7.811 8.280 -0.000 0.000 0.476 142 V N 2.760 122.946 119.914 0.454 0.000 2.577 142 V HA 0.336 4.455 4.120 -0.000 0.000 0.303 142 V C -1.116 175.132 176.094 0.256 0.000 1.042 142 V CA -0.774 61.728 62.300 0.337 0.000 0.872 142 V CB 1.948 33.849 31.823 0.130 0.000 0.998 142 V HN 0.551 8.741 8.190 -0.000 0.000 0.423 143 L N 6.663 127.963 121.223 0.128 0.000 2.281 143 L HA 0.567 4.907 4.340 -0.000 0.000 0.285 143 L C -0.375 176.504 176.870 0.014 0.000 1.074 143 L CA 0.418 55.118 54.840 -0.234 0.000 0.817 143 L CB 1.256 43.139 42.059 -0.293 0.000 1.168 143 L HN 0.472 8.702 8.230 -0.000 0.000 0.434 144 V N 6.395 126.289 119.914 -0.033 0.000 2.328 144 V HA 0.434 4.554 4.120 -0.000 0.000 0.278 144 V C -0.280 175.853 176.094 0.065 0.000 1.021 144 V CA -0.626 61.696 62.300 0.037 0.000 0.838 144 V CB 1.443 33.278 31.823 0.019 0.000 0.999 144 V HN 0.517 8.707 8.190 -0.000 0.000 0.447 145 V N 5.871 125.873 119.914 0.147 0.000 2.448 145 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 145 V C -0.240 175.996 176.094 0.237 0.000 1.025 145 V CA -0.571 61.819 62.300 0.150 0.000 0.859 145 V CB 1.970 33.839 31.823 0.077 0.000 0.988 145 V HN 0.593 8.783 8.190 -0.000 0.000 0.431 146 V N 3.316 123.374 119.914 0.240 0.000 2.444 146 V HA 0.338 4.458 4.120 -0.000 0.000 0.294 146 V C -0.291 176.052 176.094 0.415 0.000 1.022 146 V CA -0.716 61.748 62.300 0.272 0.000 0.850 146 V CB 1.911 33.866 31.823 0.220 0.000 0.992 146 V HN 0.966 9.156 8.190 -0.000 0.000 0.426 147 D N 3.651 124.300 120.400 0.415 0.000 2.383 147 D HA 0.320 4.960 4.640 -0.000 0.000 0.252 147 D C 1.338 177.854 176.300 0.359 0.000 1.166 147 D CA 0.836 55.123 54.000 0.480 0.000 0.879 147 D CB 1.780 42.779 40.800 0.331 0.000 1.164 147 D HN 0.597 8.967 8.370 -0.000 0.000 0.462 148 G N 3.590 112.612 108.800 0.370 0.000 2.402 148 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 148 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 148 G C 1.312 176.342 174.900 0.216 0.000 1.162 148 G CA 0.255 45.584 45.100 0.382 0.000 0.777 148 G HN 0.525 8.815 8.290 -0.000 0.000 0.539 149 M N 1.412 121.093 119.600 0.135 0.000 2.123 149 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 149 M C 2.669 179.004 176.300 0.059 0.000 1.069 149 M CA 2.147 57.491 55.300 0.074 0.000 1.133 149 M CB -0.562 32.056 32.600 0.031 0.000 1.356 149 M HN 0.407 8.697 8.290 -0.000 0.000 0.415 150 T N -3.891 110.693 114.554 0.050 0.000 3.037 150 T HA 0.268 4.618 4.350 -0.000 0.000 0.252 150 T C 1.383 176.129 174.700 0.077 0.000 1.073 150 T CA 0.865 62.989 62.100 0.040 0.000 1.091 150 T CB -0.014 68.846 68.868 -0.012 0.000 0.935 150 T HN 0.592 8.832 8.240 -0.000 0.000 0.488 151 G N 1.184 110.042 108.800 0.096 0.000 2.155 151 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 151 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 151 G C -0.117 174.791 174.900 0.013 0.000 0.983 151 G CA 0.031 45.176 45.100 0.075 0.000 0.676 151 G HN 0.655 8.945 8.290 -0.000 0.000 0.528 152 F N 2.448 122.290 119.950 -0.180 0.000 2.538 152 F HA 0.510 5.037 4.527 0.001 0.000 0.371 152 F C 0.753 176.235 175.800 -0.530 0.000 1.087 152 F CA 0.802 58.562 58.000 -0.400 0.000 1.250 152 F CB 0.922 39.562 39.000 -0.598 0.000 1.110 152 F HN 0.015 8.315 8.300 -0.000 0.000 0.570 153 T N 6.369 120.454 114.554 -0.781 0.000 2.779 153 T HA 0.235 4.585 4.350 -0.000 0.000 0.280 153 T C -0.888 173.489 174.700 -0.538 0.000 0.987 153 T CA -0.412 61.413 62.100 -0.458 0.000 0.966 153 T CB 0.586 69.269 68.868 -0.309 0.000 0.933 153 T HN 0.437 8.677 8.240 -0.000 0.000 0.442 154 W N 3.820 125.083 121.300 -0.063 0.000 2.478 154 W HA 0.542 5.201 4.660 -0.000 0.000 0.318 154 W C -0.807 175.557 176.519 -0.258 0.000 1.062 154 W CA -0.964 56.297 57.345 -0.141 0.000 1.210 154 W CB 1.050 30.498 29.460 -0.020 0.000 1.325 154 W HN 0.344 8.524 8.180 -0.000 0.000 0.496 155 L N 4.175 125.274 121.223 -0.206 0.000 2.325 155 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 155 L C -1.232 175.443 176.870 -0.325 0.000 1.004 155 L CA -0.972 53.767 54.840 -0.168 0.000 0.823 155 L CB 0.892 42.894 42.059 -0.095 0.000 1.236 155 L HN 0.267 8.497 8.230 -0.000 0.000 0.415 156 Y N 3.874 124.254 120.300 0.134 0.000 2.345 156 Y HA 0.373 4.923 4.550 0.000 0.000 0.331 156 Y C -2.150 173.883 175.900 0.223 0.000 0.959 156 Y CA -2.707 55.487 58.100 0.156 0.000 1.204 156 Y CB 1.466 40.006 38.460 0.135 0.000 1.135 156 Y HN 0.373 8.653 8.280 -0.000 0.000 0.477 157 P HA 0.147 4.567 4.420 -0.000 0.000 0.276 157 P C -0.269 177.384 177.300 0.588 0.000 1.230 157 P CA -0.026 63.331 63.100 0.428 0.000 0.776 157 P CB 1.477 33.254 31.700 0.128 0.000 0.888 158 T N -0.971 114.018 114.554 0.725 0.000 2.865 158 T HA 0.415 4.765 4.350 -0.000 0.000 0.294 158 T C 0.701 175.725 174.700 0.540 0.000 1.119 158 T CA -0.831 61.639 62.100 0.615 0.000 1.007 158 T CB 1.862 71.013 68.868 0.472 0.000 1.225 158 T HN 0.228 8.468 8.240 -0.000 0.000 0.515 159 K N 0.042 120.591 120.400 0.248 0.000 2.356 159 K HA 0.561 4.881 4.320 -0.000 0.000 0.195 159 K C 0.644 177.347 176.600 0.171 0.000 1.037 159 K CA 0.127 56.490 56.287 0.126 0.000 1.014 159 K CB 0.594 33.049 32.500 -0.076 0.000 0.815 159 K HN 0.763 9.012 8.250 -0.000 0.000 0.507 160 A N 1.817 124.658 122.820 0.035 0.000 2.594 160 A HA 0.382 4.702 4.320 -0.000 0.000 0.295 160 A C -2.783 174.395 177.584 -0.677 0.000 1.071 160 A CA -1.235 50.626 52.037 -0.294 0.000 0.685 160 A CB 1.271 20.142 19.000 -0.214 0.000 1.285 160 A HN -0.166 7.984 8.150 -0.000 0.000 0.405 161 P HA 0.162 4.582 4.420 -0.000 0.000 0.218 161 P C -0.027 176.693 177.300 -0.968 0.000 1.793 161 P CA 0.247 62.367 63.100 -1.633 0.000 0.941 161 P CB -0.400 30.358 31.700 -1.570 0.000 1.919 162 S N -1.414 113.944 115.700 -0.570 0.000 2.722 162 S HA 0.352 4.822 4.470 -0.000 0.000 0.292 162 S C 1.343 175.809 174.600 -0.223 0.000 1.135 162 S CA -0.330 57.668 58.200 -0.337 0.000 1.003 162 S CB 0.526 63.595 63.200 -0.219 0.000 1.067 162 S HN 0.008 8.318 8.310 -0.000 0.000 0.546 163 T N 1.534 115.979 114.554 -0.181 0.000 2.746 163 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 163 T C 2.049 176.723 174.700 -0.044 0.000 1.039 163 T CA 1.843 63.880 62.100 -0.104 0.000 1.142 163 T CB -0.633 68.224 68.868 -0.020 0.000 0.866 163 T HN 0.668 8.908 8.240 -0.000 0.000 0.444 164 S N 0.950 116.625 115.700 -0.043 0.000 2.359 164 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 164 S C 2.389 176.978 174.600 -0.018 0.000 1.039 164 S CA 1.508 59.694 58.200 -0.023 0.000 1.042 164 S CB -0.573 62.613 63.200 -0.023 0.000 0.915 164 S HN 0.541 8.851 8.310 -0.000 0.000 0.439 165 A N 0.154 122.971 122.820 -0.005 0.000 1.969 165 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 165 A C 2.321 179.944 177.584 0.064 0.000 1.169 165 A CA 2.115 54.186 52.037 0.057 0.000 0.635 165 A CB -1.293 17.768 19.000 0.102 0.000 0.810 165 A HN 0.615 8.765 8.150 -0.000 0.000 0.445 166 T N -0.459 114.127 114.554 0.053 0.000 2.737 166 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 166 T C 1.891 176.500 174.700 -0.151 0.000 1.038 166 T CA 1.444 63.547 62.100 0.005 0.000 1.144 166 T CB -0.447 68.414 68.868 -0.011 0.000 0.866 166 T HN 0.140 8.380 8.240 -0.000 0.000 0.434 167 V N 1.369 121.162 119.914 -0.202 0.000 2.255 167 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 167 V C 2.541 178.501 176.094 -0.225 0.000 1.051 167 V CA 1.734 63.768 62.300 -0.443 0.000 1.018 167 V CB -0.526 31.082 31.823 -0.358 0.000 0.641 167 V HN 0.333 8.523 8.190 -0.000 0.000 0.445 168 K N 0.266 120.607 120.400 -0.099 0.000 2.044 168 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 168 K C 2.412 178.953 176.600 -0.098 0.000 1.049 168 K CA 1.995 58.258 56.287 -0.040 0.000 0.927 168 K CB -0.509 31.997 32.500 0.011 0.000 0.713 168 K HN 0.433 8.683 8.250 -0.000 0.000 0.443 169 S N 0.499 116.089 115.700 -0.184 0.000 2.355 169 S HA -0.049 4.421 4.470 -0.000 0.000 0.222 169 S C 1.797 176.060 174.600 -0.561 0.000 1.031 169 S CA 1.040 58.958 58.200 -0.471 0.000 0.993 169 S CB -0.201 62.695 63.200 -0.507 0.000 0.859 169 S HN 0.179 8.489 8.310 -0.000 0.000 0.453 170 L N 1.635 122.657 121.223 -0.335 0.000 2.291 170 L HA -0.023 4.316 4.340 -0.000 0.000 0.214 170 L C 2.023 178.928 176.870 0.059 0.000 1.120 170 L CA 0.515 55.259 54.840 -0.161 0.000 0.799 170 L CB -0.557 41.417 42.059 -0.141 0.000 0.925 170 L HN 0.239 8.469 8.230 -0.000 0.000 0.446 171 N N -0.143 118.602 118.700 0.075 0.000 2.166 171 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 171 N C 1.894 177.441 175.510 0.062 0.000 1.019 171 N CA 1.072 54.222 53.050 0.166 0.000 0.856 171 N CB -0.223 38.366 38.487 0.170 0.000 0.993 171 N HN 0.094 8.474 8.380 -0.000 0.000 0.426 172 V N 1.242 121.148 119.914 -0.013 0.000 2.261 172 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 172 V C 2.356 178.443 176.094 -0.012 0.000 1.047 172 V CA 1.129 63.431 62.300 0.002 0.000 1.015 172 V CB -0.555 31.282 31.823 0.025 0.000 0.642 172 V HN 0.202 8.392 8.190 -0.000 0.000 0.446 173 L N 1.104 122.269 121.223 -0.096 0.000 2.056 173 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 173 L C 2.559 179.386 176.870 -0.071 0.000 1.078 173 L CA 2.728 57.479 54.840 -0.148 0.000 0.749 173 L CB -1.012 40.861 42.059 -0.310 0.000 0.901 173 L HN 0.582 8.812 8.230 -0.000 0.000 0.433 174 T N -4.340 110.230 114.554 0.026 0.000 3.160 174 T HA 0.003 4.353 4.350 -0.000 0.000 0.257 174 T C 1.741 176.421 174.700 -0.035 0.000 1.147 174 T CA 0.889 63.008 62.100 0.032 0.000 1.064 174 T CB -0.535 68.400 68.868 0.111 0.000 0.949 174 T HN 0.301 8.541 8.240 -0.000 0.000 0.526 175 S N 1.055 116.738 115.700 -0.029 0.000 2.428 175 S HA 0.114 4.584 4.470 -0.000 0.000 0.230 175 S C 1.802 176.350 174.600 -0.086 0.000 1.014 175 S CA 0.457 58.634 58.200 -0.039 0.000 0.957 175 S CB -0.202 62.997 63.200 -0.003 0.000 0.784 175 S HN 0.459 8.769 8.310 -0.000 0.000 0.499 176 I N 0.885 121.378 120.570 -0.129 0.000 2.339 176 I HA 0.185 4.355 4.170 -0.000 0.000 0.245 176 I C 0.991 176.858 176.117 -0.418 0.000 1.096 176 I CA 0.660 61.825 61.300 -0.225 0.000 1.408 176 I CB -1.054 36.820 38.000 -0.211 0.000 1.092 176 I HN 0.179 8.389 8.210 -0.000 0.000 0.423 177 A N 0.671 123.211 122.820 -0.467 0.000 2.582 177 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 177 A C -0.902 176.528 177.584 -0.256 0.000 1.059 177 A CA -0.527 51.214 52.037 -0.493 0.000 0.705 177 A CB 1.148 19.542 19.000 -1.011 0.000 1.279 177 A HN 0.006 8.156 8.150 -0.000 0.000 0.404 178 I N 3.475 123.925 120.570 -0.201 0.000 2.337 178 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 178 I C -1.915 174.089 176.117 -0.188 0.000 1.046 178 I CA -1.547 59.658 61.300 -0.159 0.000 1.324 178 I CB 0.689 38.588 38.000 -0.167 0.000 1.409 178 I HN 0.441 8.651 8.210 -0.000 0.000 0.494 179 P HA 0.255 4.675 4.420 -0.000 0.000 0.275 179 P C 0.547 177.695 177.300 -0.255 0.000 1.228 179 P CA -0.495 62.357 63.100 -0.413 0.000 0.786 179 P CB 1.481 32.697 31.700 -0.807 0.000 0.927 180 R N 1.492 121.859 120.500 -0.221 0.000 2.062 180 R HA 0.036 4.376 4.340 -0.000 0.000 0.231 180 R C 0.018 176.253 176.300 -0.108 0.000 1.136 180 R CA 1.290 57.307 56.100 -0.139 0.000 0.948 180 R CB -0.045 30.189 30.300 -0.111 0.000 0.845 180 R HN 0.374 8.644 8.270 -0.000 0.000 0.430 181 V N 0.953 120.782 119.914 -0.142 0.000 2.789 181 V HA 0.384 4.504 4.120 -0.000 0.000 0.311 181 V C -0.710 175.293 176.094 -0.151 0.000 1.073 181 V CA -0.753 61.488 62.300 -0.099 0.000 0.921 181 V CB 2.271 34.067 31.823 -0.046 0.000 1.009 181 V HN 0.109 8.299 8.190 -0.000 0.000 0.426 182 I N 3.851 124.348 120.570 -0.121 0.000 2.410 182 I HA 0.385 4.555 4.170 -0.000 0.000 0.286 182 I C -0.523 175.493 176.117 -0.169 0.000 1.009 182 I CA -0.470 60.783 61.300 -0.079 0.000 1.111 182 I CB 1.278 39.309 38.000 0.051 0.000 1.262 182 I HN 0.652 8.862 8.210 -0.000 0.000 0.443 183 H N 6.313 125.219 119.070 -0.274 0.000 2.527 183 H HA 0.572 5.128 4.556 -0.001 0.000 0.321 183 H C -0.807 174.433 175.328 -0.147 0.000 1.087 183 H CA -0.013 55.896 56.048 -0.232 0.000 1.337 183 H CB 1.552 31.175 29.762 -0.232 0.000 1.440 183 H HN 0.717 8.997 8.280 -0.000 0.000 0.490 184 S N 2.815 118.181 115.700 -0.557 0.000 2.638 184 S HA 0.257 4.726 4.470 -0.000 0.000 0.274 184 S C -0.861 173.641 174.600 -0.163 0.000 1.157 184 S CA -1.025 56.969 58.200 -0.342 0.000 0.826 184 S CB 1.773 64.573 63.200 -0.667 0.000 1.139 184 S HN 0.676 8.986 8.310 -0.000 0.000 0.474 185 D N 0.114 120.583 120.400 0.114 0.000 2.393 185 D HA 0.156 4.796 4.640 -0.000 0.000 0.246 185 D C 0.225 176.766 176.300 0.403 0.000 1.275 185 D CA -0.328 53.812 54.000 0.235 0.000 0.979 185 D CB 0.002 40.934 40.800 0.221 0.000 1.101 185 D HN 0.645 9.015 8.370 -0.000 0.000 0.505 186 Q N -0.717 119.226 119.800 0.238 0.000 2.244 186 Q HA 0.248 4.588 4.340 -0.000 0.000 0.239 186 Q C 0.516 176.540 176.000 0.041 0.000 0.890 186 Q CA -0.419 55.435 55.803 0.085 0.000 0.964 186 Q CB 0.414 29.104 28.738 -0.080 0.000 1.076 186 Q HN 0.563 8.833 8.270 -0.000 0.000 0.447 187 G N 0.108 108.977 108.800 0.115 0.000 2.562 187 G HA2 0.097 4.057 3.960 -0.000 0.000 0.233 187 G HA3 0.097 4.057 3.960 -0.000 0.000 0.233 187 G C 0.981 175.740 174.900 -0.236 0.000 1.266 187 G CA 0.224 45.261 45.100 -0.105 0.000 0.852 187 G HN 0.371 8.661 8.290 -0.000 0.000 0.581 188 A N 2.075 124.742 122.820 -0.255 0.000 1.917 188 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 188 A C 2.812 180.218 177.584 -0.297 0.000 1.182 188 A CA 2.705 54.604 52.037 -0.230 0.000 0.633 188 A CB -0.811 18.070 19.000 -0.199 0.000 0.819 188 A HN 1.539 9.689 8.150 -0.000 0.000 0.448 189 A N -1.349 121.154 122.820 -0.528 0.000 2.024 189 A HA 0.016 4.335 4.320 -0.000 0.000 0.220 189 A C 1.701 178.955 177.584 -0.551 0.000 1.164 189 A CA 1.711 53.383 52.037 -0.608 0.000 0.643 189 A CB -0.632 17.872 19.000 -0.825 0.000 0.806 189 A HN 0.552 8.702 8.150 -0.000 0.000 0.451 190 F N -0.567 119.278 119.950 -0.174 0.000 2.717 190 F HA 0.107 4.634 4.527 -0.001 0.000 0.295 190 F C 2.278 178.243 175.800 0.274 0.000 1.117 190 F CA 1.024 58.946 58.000 -0.130 0.000 1.361 190 F CB -0.742 38.279 39.000 0.034 0.000 1.112 190 F HN 0.226 8.526 8.300 -0.000 0.000 0.594 191 T N -2.735 111.934 114.554 0.193 0.000 3.069 191 T HA 0.117 4.467 4.350 -0.000 0.000 0.252 191 T C 0.950 175.699 174.700 0.082 0.000 1.053 191 T CA 0.203 62.333 62.100 0.051 0.000 0.964 191 T CB -0.735 67.997 68.868 -0.226 0.000 1.005 191 T HN 0.125 8.365 8.240 -0.000 0.000 0.532 192 S N 2.081 117.840 115.700 0.098 0.000 2.566 192 S HA 0.105 4.575 4.470 -0.000 0.000 0.280 192 S C 1.642 176.337 174.600 0.159 0.000 1.343 192 S CA 0.001 58.256 58.200 0.092 0.000 1.036 192 S CB 0.919 64.163 63.200 0.073 0.000 0.866 192 S HN 0.513 8.823 8.310 -0.000 0.000 0.526 193 S N 1.932 117.697 115.700 0.109 0.000 2.402 193 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 193 S C 1.747 176.431 174.600 0.140 0.000 1.021 193 S CA 1.182 59.451 58.200 0.114 0.000 0.974 193 S CB -1.512 61.731 63.200 0.072 0.000 0.800 193 S HN 0.824 9.134 8.310 -0.000 0.000 0.484 194 T N 1.855 116.494 114.554 0.142 0.000 2.684 194 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 194 T C 1.293 176.141 174.700 0.246 0.000 1.036 194 T CA 1.598 63.795 62.100 0.162 0.000 1.148 194 T CB -0.621 68.326 68.868 0.132 0.000 0.863 194 T HN 0.440 8.680 8.240 -0.000 0.000 0.436 195 F N 1.912 121.941 119.950 0.132 0.000 2.186 195 F HA 0.066 4.594 4.527 0.001 0.000 0.299 195 F C 2.412 178.376 175.800 0.273 0.000 1.090 195 F CA 0.645 58.759 58.000 0.189 0.000 1.307 195 F CB -0.636 38.459 39.000 0.159 0.000 1.019 195 F HN 0.136 8.436 8.300 -0.000 0.000 0.489 196 A N 0.063 123.034 122.820 0.251 0.000 1.877 196 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 196 A C 2.114 179.737 177.584 0.066 0.000 1.186 196 A CA 1.954 54.080 52.037 0.149 0.000 0.620 196 A CB -0.894 18.210 19.000 0.174 0.000 0.822 196 A HN 0.508 8.658 8.150 -0.000 0.000 0.443 197 E N -1.651 118.602 120.200 0.089 0.000 2.058 197 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 197 E C 1.744 178.362 176.600 0.029 0.000 0.997 197 E CA 1.390 57.822 56.400 0.054 0.000 0.801 197 E CB -0.287 29.456 29.700 0.072 0.000 0.746 197 E HN 0.837 9.197 8.360 -0.000 0.000 0.450 198 W N 1.441 122.665 121.300 -0.126 0.000 2.335 198 W HA -0.271 4.389 4.660 0.001 0.000 0.311 198 W C 2.391 178.757 176.519 -0.256 0.000 1.213 198 W CA 2.337 59.572 57.345 -0.183 0.000 1.274 198 W CB -0.306 29.023 29.460 -0.218 0.000 1.148 198 W HN 0.046 8.226 8.180 -0.000 0.000 0.498 199 A N 0.155 122.912 122.820 -0.105 0.000 1.930 199 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 199 A C 1.879 179.311 177.584 -0.253 0.000 1.175 199 A CA 2.115 54.006 52.037 -0.244 0.000 0.627 199 A CB -0.849 18.052 19.000 -0.165 0.000 0.815 199 A HN 0.245 8.395 8.150 -0.000 0.000 0.443 200 K N 0.445 120.752 120.400 -0.154 0.000 2.001 200 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 200 K C 1.782 178.281 176.600 -0.168 0.000 1.048 200 K CA 1.911 58.128 56.287 -0.117 0.000 0.932 200 K CB -0.512 31.957 32.500 -0.052 0.000 0.715 200 K HN 0.565 8.815 8.250 -0.000 0.000 0.437 201 E N 0.100 120.179 120.200 -0.202 0.000 2.187 201 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 201 E C 1.142 177.578 176.600 -0.273 0.000 1.004 201 E CA 1.543 57.811 56.400 -0.220 0.000 0.813 201 E CB -0.038 29.519 29.700 -0.238 0.000 0.736 201 E HN 0.421 8.781 8.360 -0.000 0.000 0.468 202 R N -0.898 119.372 120.500 -0.384 0.000 2.546 202 R HA 0.262 4.601 4.340 -0.000 0.000 0.320 202 R C 0.915 177.050 176.300 -0.275 0.000 1.021 202 R CA 0.472 56.352 56.100 -0.367 0.000 1.088 202 R CB 0.385 30.365 30.300 -0.533 0.000 1.278 202 R HN 0.071 8.341 8.270 -0.000 0.000 0.557 203 G N 2.121 110.792 108.800 -0.215 0.000 2.249 203 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.273 203 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.273 203 G C 0.017 174.838 174.900 -0.132 0.000 1.036 203 G CA 0.201 45.214 45.100 -0.145 0.000 0.824 203 G HN 0.404 8.694 8.290 -0.000 0.000 0.504 204 I N 0.693 121.163 120.570 -0.165 0.000 2.342 204 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 204 I C 0.856 176.948 176.117 -0.041 0.000 1.010 204 I CA -0.827 60.401 61.300 -0.120 0.000 1.308 204 I CB 1.043 38.950 38.000 -0.155 0.000 1.400 204 I HN 0.211 8.421 8.210 -0.000 0.000 0.488 205 H N 7.448 126.454 119.070 -0.107 0.000 2.562 205 H HA 0.399 4.955 4.556 0.000 0.000 0.314 205 H C -1.063 174.201 175.328 -0.106 0.000 1.079 205 H CA -0.726 55.269 56.048 -0.088 0.000 1.349 205 H CB 1.061 30.775 29.762 -0.079 0.000 1.432 205 H HN 0.466 8.746 8.280 -0.000 0.000 0.479 206 L N 4.714 125.562 121.223 -0.625 0.000 2.292 206 L HA 0.263 4.603 4.340 -0.000 0.000 0.284 206 L C 0.317 176.618 176.870 -0.949 0.000 1.065 206 L CA -0.141 54.304 54.840 -0.657 0.000 0.806 206 L CB 1.246 43.031 42.059 -0.458 0.000 1.175 206 L HN 0.615 8.845 8.230 -0.000 0.000 0.431 207 E N 3.020 122.756 120.200 -0.774 0.000 2.199 207 E HA 0.476 4.826 4.350 -0.000 0.000 0.265 207 E C -1.617 174.597 176.600 -0.644 0.000 0.882 207 E CA -0.617 55.491 56.400 -0.487 0.000 0.759 207 E CB 1.301 30.933 29.700 -0.112 0.000 1.148 207 E HN 0.280 8.640 8.360 -0.000 0.000 0.412 208 F N 1.371 121.254 119.950 -0.112 0.000 2.492 208 F HA 0.330 4.857 4.527 -0.001 0.000 0.327 208 F C 0.603 176.353 175.800 -0.084 0.000 1.079 208 F CA -0.808 57.097 58.000 -0.158 0.000 0.967 208 F CB 2.009 40.987 39.000 -0.037 0.000 1.169 208 F HN 0.253 8.553 8.300 -0.000 0.000 0.472 209 S N 1.207 116.955 115.700 0.080 0.000 2.515 209 S HA 0.331 4.801 4.470 -0.000 0.000 0.285 209 S C 0.247 174.960 174.600 0.188 0.000 1.265 209 S CA -0.357 57.971 58.200 0.213 0.000 1.079 209 S CB -0.003 63.318 63.200 0.201 0.000 0.877 209 S HN 0.732 9.042 8.310 -0.000 0.000 0.493 210 T N 0.958 115.625 114.554 0.188 0.000 2.883 210 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 210 T C -2.227 172.475 174.700 0.004 0.000 1.041 210 T CA -1.809 60.358 62.100 0.112 0.000 1.007 210 T CB 0.657 69.635 68.868 0.184 0.000 1.220 210 T HN 0.193 8.433 8.240 -0.000 0.000 0.552 211 P HA 0.096 4.516 4.420 -0.000 0.000 0.223 211 P C 0.221 177.254 177.300 -0.446 0.000 1.151 211 P CA 0.928 63.772 63.100 -0.427 0.000 0.787 211 P CB -0.072 31.153 31.700 -0.791 0.000 0.788 212 Y N -2.535 117.822 120.300 0.096 0.000 2.447 212 Y HA 0.200 4.750 4.550 0.000 0.000 0.286 212 Y C 1.656 177.569 175.900 0.022 0.000 1.153 212 Y CA 0.083 58.212 58.100 0.048 0.000 1.241 212 Y CB -1.177 37.310 38.460 0.044 0.000 1.284 212 Y HN -0.122 8.158 8.280 -0.000 0.000 0.520 220 V N 1.890 121.748 119.914 -0.093 0.000 2.379 220 V HA -0.104 4.015 4.120 -0.000 0.000 0.245 220 V C 2.452 178.369 176.094 -0.294 0.000 1.044 220 V CA 2.578 64.765 62.300 -0.188 0.000 1.036 220 V CB -0.288 31.410 31.823 -0.208 0.000 0.664 220 V HN 0.526 8.716 8.190 -0.000 0.000 0.453 221 E N 0.591 120.645 120.200 -0.244 0.000 2.150 221 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 221 E C 2.191 178.721 176.600 -0.116 0.000 0.985 221 E CA 1.201 57.478 56.400 -0.205 0.000 0.814 221 E CB -0.147 29.490 29.700 -0.106 0.000 0.752 221 E HN 0.391 8.751 8.360 -0.000 0.000 0.466 222 R N 0.435 120.887 120.500 -0.080 0.000 2.092 222 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 222 R C 2.229 178.504 176.300 -0.042 0.000 1.119 222 R CA 1.318 57.391 56.100 -0.044 0.000 0.970 222 R CB -0.337 29.949 30.300 -0.024 0.000 0.864 222 R HN 0.040 8.310 8.270 -0.000 0.000 0.440 223 K N 0.630 121.000 120.400 -0.051 0.000 2.025 223 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 223 K C 1.270 177.835 176.600 -0.057 0.000 1.049 223 K CA 1.493 57.766 56.287 -0.023 0.000 0.933 223 K CB -0.111 32.388 32.500 -0.002 0.000 0.714 223 K HN 0.130 8.380 8.250 -0.000 0.000 0.438 224 N N 0.695 119.332 118.700 -0.106 0.000 2.166 224 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 224 N C 1.851 177.325 175.510 -0.060 0.000 1.019 224 N CA 1.171 54.163 53.050 -0.097 0.000 0.856 224 N CB -0.573 37.821 38.487 -0.155 0.000 0.993 224 N HN 0.160 8.540 8.380 -0.000 0.000 0.426 225 S N 0.861 116.529 115.700 -0.052 0.000 2.356 225 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 225 S C 1.279 175.857 174.600 -0.037 0.000 1.032 225 S CA 1.203 59.386 58.200 -0.029 0.000 1.005 225 S CB -0.242 62.946 63.200 -0.019 0.000 0.867 225 S HN 0.150 8.460 8.310 -0.000 0.000 0.449 226 D N 1.009 121.382 120.400 -0.045 0.000 2.149 226 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 226 D C 1.885 178.134 176.300 -0.086 0.000 0.990 226 D CA 1.110 55.075 54.000 -0.057 0.000 0.839 226 D CB -0.401 40.368 40.800 -0.052 0.000 0.948 226 D HN 0.461 8.831 8.370 -0.000 0.000 0.460 227 M N 0.440 119.983 119.600 -0.095 0.000 2.132 227 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 227 M C 1.675 177.919 176.300 -0.092 0.000 1.065 227 M CA 1.488 56.718 55.300 -0.118 0.000 1.122 227 M CB 0.067 32.599 32.600 -0.112 0.000 1.365 227 M HN -0.169 8.121 8.290 -0.000 0.000 0.411 228 K N -0.320 120.042 120.400 -0.062 0.000 2.148 228 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 228 K C 2.150 178.718 176.600 -0.053 0.000 1.050 228 K CA 1.400 57.660 56.287 -0.045 0.000 0.942 228 K CB -0.222 32.271 32.500 -0.012 0.000 0.724 228 K HN 0.377 8.627 8.250 -0.000 0.000 0.446 229 R N 1.277 121.746 120.500 -0.053 0.000 2.066 229 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 229 R C 2.267 178.525 176.300 -0.071 0.000 1.131 229 R CA 0.927 56.994 56.100 -0.055 0.000 0.955 229 R CB -0.233 30.039 30.300 -0.045 0.000 0.851 229 R HN 0.158 8.428 8.270 -0.000 0.000 0.432 230 L N 0.619 121.792 121.223 -0.084 0.000 2.012 230 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 230 L C 2.203 179.015 176.870 -0.098 0.000 1.073 230 L CA 1.295 56.077 54.840 -0.096 0.000 0.748 230 L CB -0.348 41.636 42.059 -0.125 0.000 0.891 230 L HN 0.332 8.562 8.230 -0.000 0.000 0.431 231 L N -0.252 120.910 121.223 -0.102 0.000 2.012 231 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 231 L C 2.497 179.293 176.870 -0.123 0.000 1.073 231 L CA 2.354 57.130 54.840 -0.107 0.000 0.748 231 L CB -0.822 41.178 42.059 -0.098 0.000 0.891 231 L HN 0.239 8.469 8.230 -0.000 0.000 0.431 232 T N -0.768 113.717 114.554 -0.115 0.000 2.684 232 T HA -0.265 4.084 4.350 -0.000 0.000 0.267 232 T C 1.876 176.500 174.700 -0.126 0.000 1.036 232 T CA 1.759 63.778 62.100 -0.135 0.000 1.148 232 T CB -0.230 68.579 68.868 -0.098 0.000 0.863 232 T HN 0.334 8.574 8.240 -0.000 0.000 0.436 233 K N 0.891 121.235 120.400 -0.094 0.000 2.009 233 K HA -0.070 4.250 4.320 -0.000 0.000 0.210 233 K C 2.291 178.847 176.600 -0.073 0.000 1.049 233 K CA 1.260 57.502 56.287 -0.076 0.000 0.929 233 K CB -0.389 32.073 32.500 -0.063 0.000 0.714 233 K HN 0.283 8.533 8.250 -0.000 0.000 0.440 234 L N 0.918 122.095 121.223 -0.077 0.000 2.079 234 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 234 L C 2.401 179.242 176.870 -0.049 0.000 1.081 234 L CA 1.126 55.931 54.840 -0.059 0.000 0.752 234 L CB -0.344 41.677 42.059 -0.064 0.000 0.896 234 L HN 0.281 8.511 8.230 -0.000 0.000 0.433 235 L N -1.580 119.576 121.223 -0.112 0.000 2.102 235 L HA -0.087 4.253 4.340 -0.000 0.000 0.202 235 L C 2.498 179.270 176.870 -0.163 0.000 1.076 235 L CA 0.397 55.137 54.840 -0.167 0.000 0.761 235 L CB -0.529 41.250 42.059 -0.466 0.000 0.921 235 L HN 0.007 8.237 8.230 -0.000 0.000 0.444 236 V N 0.797 120.604 119.914 -0.178 0.000 2.392 236 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 236 V C 2.580 178.663 176.094 -0.019 0.000 1.059 236 V CA 1.959 64.197 62.300 -0.103 0.000 1.051 236 V CB -1.372 30.392 31.823 -0.100 0.000 0.658 236 V HN 0.590 8.780 8.190 -0.000 0.000 0.455 237 G N -0.014 108.776 108.800 -0.018 0.000 2.535 237 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 237 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 237 G C 1.091 176.016 174.900 0.041 0.000 1.122 237 G CA 0.141 45.245 45.100 0.007 0.000 0.769 237 G HN 0.524 8.814 8.290 -0.000 0.000 0.549 238 R N 0.109 120.660 120.500 0.085 0.000 2.738 238 R HA 0.206 4.546 4.340 -0.000 0.000 0.280 238 R C -1.604 174.828 176.300 0.220 0.000 1.456 238 R CA -1.366 54.811 56.100 0.129 0.000 1.612 238 R CB 1.467 31.846 30.300 0.132 0.000 1.286 238 R HN 0.094 8.364 8.270 -0.000 0.000 0.660 239 P HA -0.261 4.159 4.420 -0.000 0.000 0.216 239 P C 1.048 178.480 177.300 0.220 0.000 1.154 239 P CA 1.810 65.054 63.100 0.241 0.000 0.865 239 P CB 0.265 32.042 31.700 0.128 0.000 0.789 240 T N -4.167 110.455 114.554 0.113 0.000 3.009 240 T HA 0.126 4.476 4.350 -0.000 0.000 0.258 240 T C 1.709 176.403 174.700 -0.010 0.000 1.063 240 T CA 0.519 62.642 62.100 0.039 0.000 1.139 240 T CB -0.214 68.669 68.868 0.026 0.000 0.890 240 T HN -0.010 8.230 8.240 -0.000 0.000 0.471 241 K N 0.334 120.753 120.400 0.032 0.000 2.358 241 K HA 0.164 4.483 4.320 -0.000 0.000 0.200 241 K C 1.810 178.423 176.600 0.022 0.000 1.030 241 K CA -0.099 56.193 56.287 0.009 0.000 1.097 241 K CB 0.054 32.570 32.500 0.027 0.000 0.862 241 K HN 0.710 8.960 8.250 -0.000 0.000 0.534 242 W N 0.259 121.586 121.300 0.046 0.000 2.374 242 W HA -0.247 4.410 4.660 -0.005 0.000 0.288 242 W C 1.413 177.943 176.519 0.020 0.000 1.218 242 W CA 0.412 57.770 57.345 0.023 0.000 1.245 242 W CB -1.041 28.433 29.460 0.023 0.000 1.126 242 W HN 0.020 8.200 8.180 -0.000 0.000 0.545 243 Y N 2.943 122.813 120.300 -0.717 0.000 2.114 243 Y HA -0.226 4.323 4.550 -0.002 0.000 0.284 243 Y C 2.142 177.886 175.900 -0.260 0.000 1.143 243 Y CA 2.542 60.238 58.100 -0.674 0.000 1.135 243 Y CB -0.851 37.122 38.460 -0.812 0.000 0.980 243 Y HN -0.209 8.071 8.280 -0.000 0.000 0.499 244 D N 0.200 120.454 120.400 -0.243 0.000 2.178 244 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 244 D C 1.901 178.089 176.300 -0.188 0.000 0.980 244 D CA 1.620 55.495 54.000 -0.207 0.000 0.842 244 D CB -0.262 40.506 40.800 -0.053 0.000 0.948 244 D HN 0.425 8.795 8.370 -0.000 0.000 0.472 245 L N 0.147 121.306 121.223 -0.107 0.000 2.567 245 L HA 0.116 4.456 4.340 -0.000 0.000 0.225 245 L C 2.210 179.047 176.870 -0.055 0.000 1.119 245 L CA -0.139 54.668 54.840 -0.055 0.000 0.871 245 L CB 0.203 42.265 42.059 0.005 0.000 1.036 245 L HN 0.048 8.278 8.230 -0.000 0.000 0.459 246 L N 1.039 122.215 121.223 -0.078 0.000 2.043 246 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 246 L C -0.212 176.598 176.870 -0.101 0.000 1.075 246 L CA 2.092 56.903 54.840 -0.048 0.000 0.752 246 L CB -1.153 40.873 42.059 -0.055 0.000 0.891 246 L HN 0.251 8.481 8.230 -0.000 0.000 0.432 247 P HA -0.115 4.305 4.420 -0.000 0.000 0.218 247 P C 1.904 179.155 177.300 -0.082 0.000 1.149 247 P CA 0.944 63.980 63.100 -0.107 0.000 0.817 247 P CB 0.115 31.752 31.700 -0.105 0.000 0.785 248 V N -0.627 119.240 119.914 -0.078 0.000 2.358 248 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 248 V C 2.448 178.490 176.094 -0.087 0.000 1.047 248 V CA 1.564 63.820 62.300 -0.072 0.000 1.035 248 V CB -1.169 30.618 31.823 -0.060 0.000 0.658 248 V HN -0.034 8.156 8.190 -0.000 0.000 0.452 249 V N 0.007 119.873 119.914 -0.079 0.000 2.255 249 V HA -0.391 3.729 4.120 -0.000 0.000 0.247 249 V C 2.472 178.487 176.094 -0.131 0.000 1.051 249 V CA 2.657 64.902 62.300 -0.091 0.000 1.018 249 V CB -0.722 31.062 31.823 -0.065 0.000 0.641 249 V HN 0.655 8.845 8.190 -0.000 0.000 0.445 250 Q N -0.672 119.045 119.800 -0.139 0.000 2.061 250 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 250 Q C 2.388 178.254 176.000 -0.223 0.000 0.984 250 Q CA 1.994 57.677 55.803 -0.200 0.000 0.846 250 Q CB -0.281 28.343 28.738 -0.190 0.000 0.902 250 Q HN 0.549 8.819 8.270 -0.000 0.000 0.421 251 L N 0.531 121.664 121.223 -0.150 0.000 1.990 251 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 251 L C 2.294 179.049 176.870 -0.193 0.000 1.072 251 L CA 2.390 57.151 54.840 -0.131 0.000 0.755 251 L CB -1.384 40.629 42.059 -0.078 0.000 0.889 251 L HN 0.442 8.672 8.230 -0.000 0.000 0.432 252 A N -0.273 122.441 122.820 -0.177 0.000 1.877 252 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 252 A C 2.232 179.704 177.584 -0.187 0.000 1.186 252 A CA 1.981 53.911 52.037 -0.178 0.000 0.620 252 A CB -0.454 18.462 19.000 -0.139 0.000 0.822 252 A HN 0.542 8.692 8.150 -0.000 0.000 0.443 253 M N -0.293 119.188 119.600 -0.198 0.000 2.086 253 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 253 M C 1.479 177.640 176.300 -0.231 0.000 1.067 253 M CA 1.423 56.597 55.300 -0.209 0.000 1.116 253 M CB -0.595 31.867 32.600 -0.230 0.000 1.348 253 M HN 0.359 8.649 8.290 -0.000 0.000 0.407 254 N N 0.767 119.276 118.700 -0.318 0.000 2.512 254 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 254 N C 0.026 175.440 175.510 -0.161 0.000 1.073 254 N CA 0.885 53.728 53.050 -0.345 0.000 0.911 254 N CB -0.360 37.716 38.487 -0.684 0.000 0.964 254 N HN 0.431 8.811 8.380 -0.000 0.000 0.447 255 N N -0.839 117.732 118.700 -0.215 0.000 2.467 255 N HA 0.147 4.887 4.740 -0.000 0.000 0.278 255 N C -1.118 174.223 175.510 -0.282 0.000 1.306 255 N CA -0.025 52.855 53.050 -0.282 0.000 0.905 255 N CB 0.994 39.206 38.487 -0.458 0.000 1.236 255 N HN -0.155 8.225 8.380 -0.000 0.000 0.509 256 T N 0.017 114.447 114.554 -0.206 0.000 2.824 256 T HA 0.291 4.641 4.350 -0.000 0.000 0.282 256 T C -0.625 174.038 174.700 -0.062 0.000 0.993 256 T CA -0.459 61.578 62.100 -0.103 0.000 0.967 256 T CB 0.890 69.742 68.868 -0.027 0.000 0.960 256 T HN 0.011 8.251 8.240 -0.000 0.000 0.441 257 Y N 1.637 121.962 120.300 0.043 0.000 2.442 257 Y HA 0.281 4.830 4.550 -0.001 0.000 0.330 257 Y C 1.308 177.222 175.900 0.024 0.000 1.129 257 Y CA 0.023 58.140 58.100 0.028 0.000 1.365 257 Y CB 0.629 39.076 38.460 -0.021 0.000 1.233 257 Y HN 0.504 8.784 8.280 -0.000 0.000 0.529 258 S N 5.033 120.771 115.700 0.064 0.000 2.474 258 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 258 S C -1.710 172.769 174.600 -0.202 0.000 1.227 258 S CA -1.562 56.460 58.200 -0.298 0.000 1.050 258 S CB 0.662 63.644 63.200 -0.363 0.000 0.939 258 S HN 0.427 8.737 8.310 -0.000 0.000 0.490 259 P HA -0.027 4.394 4.420 -0.000 0.000 0.226 259 P C 0.965 178.178 177.300 -0.145 0.000 1.153 259 P CA 0.504 63.516 63.100 -0.146 0.000 0.777 259 P CB 0.099 31.730 31.700 -0.115 0.000 0.794 260 V N -1.282 118.519 119.914 -0.188 0.000 3.174 260 V HA 0.010 4.130 4.120 -0.000 0.000 0.254 260 V C 1.963 178.006 176.094 -0.085 0.000 1.120 260 V CA 1.022 63.246 62.300 -0.127 0.000 1.114 260 V CB -0.528 31.217 31.823 -0.131 0.000 0.756 260 V HN 0.101 8.291 8.190 -0.000 0.000 0.467 261 L N -0.511 120.661 121.223 -0.086 0.000 2.638 261 L HA 0.292 4.632 4.340 -0.000 0.000 0.232 261 L C 1.335 178.207 176.870 0.004 0.000 1.099 261 L CA 0.626 55.468 54.840 0.005 0.000 0.883 261 L CB -0.356 41.727 42.059 0.041 0.000 1.136 261 L HN 0.365 8.595 8.230 -0.000 0.000 0.492 262 K N -0.157 120.192 120.400 -0.085 0.000 3.013 262 K HA -0.253 4.067 4.320 -0.000 0.000 0.275 262 K C -0.989 175.390 176.600 -0.367 0.000 1.086 262 K CA 1.057 57.209 56.287 -0.226 0.000 0.814 262 K CB -0.877 31.414 32.500 -0.349 0.000 1.212 262 K HN 0.200 8.450 8.250 -0.000 0.000 0.468 263 Y N -0.981 119.446 120.300 0.212 0.000 2.562 263 Y HA 0.223 4.772 4.550 -0.000 0.000 0.345 263 Y C 0.593 176.515 175.900 0.037 0.000 1.045 263 Y CA -0.922 57.292 58.100 0.191 0.000 1.028 263 Y CB 1.616 40.143 38.460 0.112 0.000 1.297 263 Y HN 0.018 8.298 8.280 -0.000 0.000 0.463 264 T N -1.400 113.167 114.554 0.021 0.000 2.909 264 T HA 0.304 4.654 4.350 -0.000 0.000 0.289 264 T C -2.278 172.472 174.700 0.083 0.000 1.005 264 T CA -2.107 59.933 62.100 -0.101 0.000 1.084 264 T CB 1.691 70.363 68.868 -0.326 0.000 0.975 264 T HN 0.294 8.534 8.240 -0.000 0.000 0.509 265 P HA -0.195 4.225 4.420 -0.000 0.000 0.216 265 P C 1.412 178.916 177.300 0.340 0.000 1.150 265 P CA 1.108 64.296 63.100 0.147 0.000 0.843 265 P CB -0.140 31.575 31.700 0.025 0.000 0.787 266 H N 1.037 120.288 119.070 0.302 0.000 2.290 266 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 266 H C 1.873 177.441 175.328 0.399 0.000 1.087 266 H CA 2.185 58.550 56.048 0.528 0.000 1.291 266 H CB -0.360 29.652 29.762 0.417 0.000 1.369 266 H HN 0.215 8.495 8.280 -0.000 0.000 0.492 267 Q N 0.167 120.222 119.800 0.425 0.000 2.226 267 Q HA -0.096 4.243 4.340 -0.000 0.000 0.204 267 Q C 2.530 178.597 176.000 0.110 0.000 0.975 267 Q CA 1.210 57.189 55.803 0.293 0.000 0.866 267 Q CB -0.405 28.488 28.738 0.259 0.000 0.915 267 Q HN 0.445 8.715 8.270 -0.000 0.000 0.440 268 L N 0.044 121.310 121.223 0.071 0.000 2.141 268 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 268 L C 2.290 179.114 176.870 -0.076 0.000 1.094 268 L CA 0.483 55.306 54.840 -0.029 0.000 0.763 268 L CB -0.185 41.873 42.059 -0.001 0.000 0.908 268 L HN 0.238 8.468 8.230 -0.000 0.000 0.437 269 L N -1.479 119.675 121.223 -0.115 0.000 2.168 269 L HA 0.003 4.343 4.340 -0.000 0.000 0.203 269 L C 1.643 178.235 176.870 -0.462 0.000 1.078 269 L CA 1.598 56.209 54.840 -0.382 0.000 0.780 269 L CB -0.156 41.460 42.059 -0.738 0.000 0.939 269 L HN 0.000 8.230 8.230 -0.000 0.000 0.451 270 F N 0.450 120.261 119.950 -0.232 0.000 2.727 270 F HA 0.525 5.052 4.527 -0.000 0.000 0.302 270 F C 1.066 176.829 175.800 -0.062 0.000 1.097 270 F CA 0.329 58.223 58.000 -0.176 0.000 1.330 270 F CB -0.109 38.709 39.000 -0.304 0.000 1.084 270 F HN 0.124 8.424 8.300 -0.000 0.000 0.578 271 G N 0.452 109.293 108.800 0.069 0.000 3.067 271 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 271 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 271 G C 0.219 175.162 174.900 0.071 0.000 1.119 271 G CA -0.697 44.433 45.100 0.051 0.000 0.790 271 G HN 0.084 8.374 8.290 -0.000 0.000 0.605 272 I N 0.684 121.259 120.570 0.009 0.000 2.202 272 I HA 0.051 4.221 4.170 -0.000 0.000 0.242 272 I C 1.417 177.587 176.117 0.088 0.000 1.091 272 I CA 1.190 62.495 61.300 0.008 0.000 1.368 272 I CB -0.033 37.882 38.000 -0.140 0.000 1.058 272 I HN 0.464 8.674 8.210 -0.000 0.000 0.410 273 D N 1.032 121.473 120.400 0.069 0.000 2.973 273 D HA 0.248 4.888 4.640 -0.000 0.000 0.263 273 D C -0.251 176.095 176.300 0.076 0.000 1.266 273 D CA 0.213 54.261 54.000 0.081 0.000 0.975 273 D CB 0.613 41.452 40.800 0.065 0.000 1.032 273 D HN 0.019 8.389 8.370 -0.000 0.000 0.510 274 S N 0.484 116.242 115.700 0.097 0.000 2.607 274 S HA 0.242 4.712 4.470 -0.000 0.000 0.303 274 S C -0.135 174.516 174.600 0.086 0.000 1.086 274 S CA -0.742 57.513 58.200 0.093 0.000 0.995 274 S CB 1.464 64.737 63.200 0.121 0.000 1.084 274 S HN 0.121 8.431 8.310 -0.000 0.000 0.507 275 N N 2.668 121.403 118.700 0.058 0.000 2.416 275 N HA 0.073 4.813 4.740 -0.000 0.000 0.271 275 N C -0.154 175.354 175.510 -0.003 0.000 1.245 275 N CA 0.149 53.216 53.050 0.028 0.000 0.940 275 N CB 0.190 38.684 38.487 0.011 0.000 1.175 275 N HN 0.686 9.066 8.380 -0.000 0.000 0.483 276 T N 1.685 116.238 114.554 -0.002 0.000 2.919 276 T HA 0.270 4.620 4.350 -0.000 0.000 0.302 276 T C -1.848 172.663 174.700 -0.316 0.000 1.031 276 T CA -1.273 60.766 62.100 -0.102 0.000 1.127 276 T CB 1.032 69.941 68.868 0.069 0.000 0.952 276 T HN 0.290 8.530 8.240 -0.000 0.000 0.540 277 P HA 0.296 4.716 4.420 -0.000 0.000 0.259 277 P C -0.955 175.844 177.300 -0.836 0.000 1.480 277 P CA -0.127 62.538 63.100 -0.725 0.000 0.842 277 P CB -0.517 30.733 31.700 -0.750 0.000 1.513 278 F N -1.173 118.721 119.950 -0.094 0.000 2.540 278 F HA 0.602 5.130 4.527 0.001 0.000 0.317 278 F C 1.192 176.963 175.800 -0.049 0.000 1.104 278 F CA -1.309 56.641 58.000 -0.083 0.000 0.913 278 F CB 1.421 40.351 39.000 -0.116 0.000 1.170 278 F HN -0.276 8.024 8.300 -0.000 0.000 0.450 279 A N 1.633 124.537 122.820 0.141 0.000 2.275 279 A HA 0.186 4.506 4.320 -0.000 0.000 0.212 279 A C 0.323 177.949 177.584 0.070 0.000 1.201 279 A CA 0.376 52.459 52.037 0.076 0.000 0.843 279 A CB -0.268 18.760 19.000 0.045 0.000 0.873 279 A HN 0.657 8.807 8.150 -0.000 0.000 0.492 280 N N -1.161 117.590 118.700 0.085 0.000 2.405 280 N HA 0.196 4.936 4.740 -0.000 0.000 0.274 280 N C -0.554 174.955 175.510 -0.001 0.000 1.170 280 N CA -0.278 52.793 53.050 0.035 0.000 0.848 280 N CB 1.416 39.910 38.487 0.012 0.000 1.629 280 N HN -0.012 8.368 8.380 -0.000 0.000 0.481 281 Q N 0.424 120.217 119.800 -0.013 0.000 2.353 281 Q HA 0.159 4.499 4.340 -0.000 0.000 0.240 281 Q C 0.084 176.056 176.000 -0.048 0.000 0.868 281 Q CA 0.297 56.073 55.803 -0.045 0.000 0.944 281 Q CB 0.596 29.348 28.738 0.022 0.000 1.104 281 Q HN 0.575 8.845 8.270 -0.000 0.000 0.531 282 D N 0.790 121.173 120.400 -0.029 0.000 2.137 282 D HA -0.065 4.574 4.640 -0.000 0.000 0.202 282 D C 1.707 177.979 176.300 -0.048 0.000 0.970 282 D CA 1.932 55.916 54.000 -0.027 0.000 0.837 282 D CB 0.464 41.255 40.800 -0.016 0.000 0.981 282 D HN 0.364 8.734 8.370 -0.000 0.000 0.475 283 T N -2.567 111.953 114.554 -0.056 0.000 2.971 283 T HA 0.189 4.539 4.350 -0.000 0.000 0.252 283 T C 1.320 175.964 174.700 -0.093 0.000 1.022 283 T CA -0.189 61.874 62.100 -0.061 0.000 0.980 283 T CB 0.450 69.296 68.868 -0.037 0.000 1.044 283 T HN 0.110 8.350 8.240 -0.000 0.000 0.501 284 L N 2.091 123.237 121.223 -0.128 0.000 3.717 284 L HA -0.180 4.160 4.340 -0.000 0.000 0.414 284 L C -0.812 176.011 176.870 -0.078 0.000 1.228 284 L CA 0.645 55.364 54.840 -0.202 0.000 0.918 284 L CB -2.071 39.786 42.059 -0.337 0.000 1.865 284 L HN 0.398 8.628 8.230 -0.000 0.000 0.922 285 D N -1.001 119.387 120.400 -0.021 0.000 2.699 285 D HA -0.175 4.465 4.640 -0.000 0.000 0.239 285 D C -0.171 176.127 176.300 -0.005 0.000 1.136 285 D CA 1.113 55.119 54.000 0.011 0.000 0.668 285 D CB -1.090 39.744 40.800 0.057 0.000 1.060 285 D HN 0.456 8.826 8.370 -0.000 0.000 0.429 286 L N -0.533 120.676 121.223 -0.023 0.000 2.346 286 L HA 0.458 4.798 4.340 -0.000 0.000 0.276 286 L C 1.419 178.277 176.870 -0.020 0.000 1.006 286 L CA -0.600 54.225 54.840 -0.025 0.000 0.817 286 L CB 2.092 44.126 42.059 -0.041 0.000 1.272 286 L HN -0.171 8.059 8.230 -0.000 0.000 0.421 287 T N -0.968 113.577 114.554 -0.015 0.000 3.085 287 T HA 0.188 4.538 4.350 -0.000 0.000 0.241 287 T C 0.864 175.557 174.700 -0.012 0.000 0.988 287 T CA -0.105 61.989 62.100 -0.011 0.000 1.117 287 T CB 0.213 69.077 68.868 -0.006 0.000 0.978 287 T HN 0.381 8.621 8.240 -0.000 0.000 0.454 288 R N 1.870 122.362 120.500 -0.012 0.000 2.679 288 R HA 0.249 4.589 4.340 -0.000 0.000 0.269 288 R C 1.457 177.749 176.300 -0.012 0.000 1.076 288 R CA -0.160 55.934 56.100 -0.011 0.000 1.160 288 R CB 0.571 30.866 30.300 -0.009 0.000 1.054 288 R HN 0.213 8.483 8.270 -0.000 0.000 0.507 289 E N 2.196 122.391 120.200 -0.010 0.000 2.058 289 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 289 E C 1.411 178.005 176.600 -0.011 0.000 0.997 289 E CA 2.283 58.677 56.400 -0.010 0.000 0.801 289 E CB 0.062 29.758 29.700 -0.007 0.000 0.746 289 E HN 0.704 9.064 8.360 -0.000 0.000 0.450 290 E N 0.217 120.411 120.200 -0.009 0.000 2.110 290 E HA -0.227 4.122 4.350 -0.000 0.000 0.193 290 E C 2.032 178.624 176.600 -0.015 0.000 0.988 290 E CA 1.384 57.779 56.400 -0.008 0.000 0.804 290 E CB -0.364 29.334 29.700 -0.003 0.000 0.745 290 E HN 0.417 8.777 8.360 -0.000 0.000 0.458 291 E N 0.428 120.617 120.200 -0.019 0.000 2.072 291 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 291 E C 1.990 178.570 176.600 -0.034 0.000 0.982 291 E CA 0.622 57.005 56.400 -0.028 0.000 0.803 291 E CB 0.029 29.712 29.700 -0.029 0.000 0.755 291 E HN 0.131 8.491 8.360 -0.000 0.000 0.453 292 L N 0.729 121.934 121.223 -0.029 0.000 2.072 292 L HA -0.084 4.255 4.340 -0.000 0.000 0.205 292 L C 2.293 179.145 176.870 -0.030 0.000 1.079 292 L CA 1.517 56.338 54.840 -0.031 0.000 0.752 292 L CB -0.638 41.406 42.059 -0.025 0.000 0.906 292 L HN -0.035 8.195 8.230 -0.000 0.000 0.436 293 S N -0.552 115.134 115.700 -0.024 0.000 2.400 293 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 293 S C 1.987 176.571 174.600 -0.028 0.000 1.025 293 S CA 1.072 59.258 58.200 -0.023 0.000 0.993 293 S CB -0.321 62.869 63.200 -0.016 0.000 0.808 293 S HN 0.343 8.653 8.310 -0.000 0.000 0.478 294 L N 0.606 121.811 121.223 -0.031 0.000 2.044 294 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 294 L C 2.297 179.137 176.870 -0.051 0.000 1.075 294 L CA 1.015 55.833 54.840 -0.037 0.000 0.747 294 L CB -0.260 41.778 42.059 -0.035 0.000 0.903 294 L HN 0.313 8.543 8.230 -0.000 0.000 0.435 295 L N -0.156 121.034 121.223 -0.055 0.000 2.046 295 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 295 L C 2.419 179.255 176.870 -0.057 0.000 1.077 295 L CA 1.853 56.653 54.840 -0.067 0.000 0.747 295 L CB -0.601 41.414 42.059 -0.074 0.000 0.896 295 L HN 0.285 8.515 8.230 -0.000 0.000 0.432 296 Q N 0.039 119.812 119.800 -0.045 0.000 2.050 296 Q HA -0.277 4.063 4.340 -0.000 0.000 0.202 296 Q C 2.276 178.254 176.000 -0.037 0.000 0.980 296 Q CA 2.307 58.089 55.803 -0.036 0.000 0.840 296 Q CB -0.369 28.352 28.738 -0.029 0.000 0.898 296 Q HN 0.686 8.956 8.270 -0.000 0.000 0.424 297 E N -0.552 119.623 120.200 -0.041 0.000 2.077 297 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 297 E C 1.871 178.436 176.600 -0.059 0.000 0.989 297 E CA 1.338 57.712 56.400 -0.044 0.000 0.800 297 E CB -0.135 29.540 29.700 -0.042 0.000 0.746 297 E HN 0.517 8.877 8.360 -0.000 0.000 0.452 298 I N 0.257 120.785 120.570 -0.070 0.000 2.202 298 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 298 I C 2.699 178.766 176.117 -0.083 0.000 1.091 298 I CA 0.895 62.139 61.300 -0.093 0.000 1.368 298 I CB -0.222 37.715 38.000 -0.106 0.000 1.058 298 I HN 0.030 8.240 8.210 -0.000 0.000 0.410 299 R N 0.326 120.792 120.500 -0.056 0.000 2.091 299 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 299 R C 2.376 178.673 176.300 -0.004 0.000 1.136 299 R CA 2.188 58.274 56.100 -0.022 0.000 0.959 299 R CB -0.643 29.649 30.300 -0.014 0.000 0.856 299 R HN 0.519 8.789 8.270 -0.000 0.000 0.437 300 T N -3.368 111.176 114.554 -0.017 0.000 3.043 300 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 300 T C 1.653 176.343 174.700 -0.017 0.000 1.094 300 T CA 1.098 63.193 62.100 -0.009 0.000 1.127 300 T CB 0.267 69.127 68.868 -0.014 0.000 0.905 300 T HN 0.078 8.318 8.240 -0.000 0.000 0.490 301 S N -0.671 115.001 115.700 -0.046 0.000 2.650 301 S HA 0.402 4.871 4.470 -0.000 0.000 0.240 301 S C 1.325 175.848 174.600 -0.128 0.000 1.007 301 S CA -0.576 57.585 58.200 -0.066 0.000 0.984 301 S CB -0.436 62.725 63.200 -0.065 0.000 0.910 301 S HN 0.490 8.800 8.310 -0.000 0.000 0.509 302 L N 0.460 121.574 121.223 -0.182 0.000 2.109 302 L HA 0.227 4.567 4.340 -0.000 0.000 0.207 302 L C -0.119 176.349 176.870 -0.670 0.000 1.086 302 L CA 1.066 55.634 54.840 -0.453 0.000 0.760 302 L CB 0.113 41.846 42.059 -0.543 0.000 0.910 302 L HN 0.413 8.643 8.230 -0.000 0.000 0.437 303 Y N 0.000 120.284 120.300 -0.026 0.000 2.660 303 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 303 Y CA 0.000 58.086 58.100 -0.023 0.000 1.940 303 Y CB 0.000 38.450 38.460 -0.017 0.000 1.050 303 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758