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 2kbe_1_A DATA FIRST_RESID 71 DATA SEQUENCE YEVKVKLADI QADPNSPLYS AKSFDELGLA PELLKGIYAM KFQKPSKIQE DATA SEQUENCE RALPLLLHNP PRNMIAQSQS GTGKTAAFSL TMLTRVNPED ASPQAICLAP DATA SEQUENCE SRELARQTLE VVQEMGKFTK ITSQLIVPDS FEKNKQINAQ VIVGTPGTVL DATA SEQUENCE DLMRRKLMQL QKIKIFVLDE ADNMLDQQGL GDQCIRVKRF LPKDTQLVLF DATA SEQUENCE SATFADAVRQ YAKKIVPNAN TLELQT 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 71 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 71 Y C 0.000 175.901 175.900 0.002 0.000 1.272 71 Y CA 0.000 58.101 58.100 0.002 0.000 1.940 71 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 72 E N 2.552 122.816 120.200 0.106 0.000 2.811 72 E HA -0.138 4.241 4.350 0.049 0.000 0.150 72 E C -1.344 175.304 176.600 0.080 0.000 1.823 72 E CA -0.272 56.169 56.400 0.068 0.000 0.661 72 E CB 0.178 29.903 29.700 0.041 0.000 1.086 72 E HN -0.035 8.370 8.360 0.076 0.000 0.354 73 V N -2.435 117.524 119.914 0.075 0.000 2.583 73 V HA 0.057 4.212 4.120 0.058 0.000 0.287 73 V C 0.092 176.207 176.094 0.036 0.000 1.051 73 V CA 0.171 62.504 62.300 0.055 0.000 1.010 73 V CB 0.759 32.610 31.823 0.047 0.000 0.988 73 V HN -0.055 8.181 8.190 0.075 0.000 0.478 74 K N 5.343 125.760 120.400 0.029 0.000 2.849 74 K HA 0.070 4.404 4.320 0.022 0.000 0.175 74 K C 0.282 176.893 176.600 0.018 0.000 1.113 74 K CA 0.038 56.339 56.287 0.022 0.000 1.286 74 K CB -0.251 32.261 32.500 0.020 0.000 1.776 74 K HN 0.140 8.407 8.250 0.029 0.000 0.472 75 V N -1.991 117.932 119.914 0.015 0.000 0.689 75 V HA -0.507 3.620 4.120 0.012 0.000 0.092 75 V C 0.876 176.977 176.094 0.012 0.000 0.804 75 V CA 1.699 64.006 62.300 0.012 0.000 3.103 75 V CB -0.747 31.083 31.823 0.011 0.000 0.204 75 V HN -0.087 8.112 8.190 0.015 0.000 0.119 76 K N -2.214 118.192 120.400 0.011 0.000 11.208 76 K HA -0.400 3.925 4.320 0.009 0.000 0.528 76 K C -0.880 175.725 176.600 0.009 0.000 0.393 76 K CA 2.007 58.300 56.287 0.010 0.000 1.921 76 K CB -0.723 31.783 32.500 0.010 0.000 0.787 76 K HN -0.033 8.223 8.250 0.011 0.000 1.252 77 L N -0.525 120.703 121.223 0.009 0.000 2.375 77 L HA 0.043 4.387 4.340 0.007 0.000 0.271 77 L C -1.246 175.630 176.870 0.009 0.000 1.107 77 L CA -0.016 54.829 54.840 0.008 0.000 0.806 77 L CB 0.815 42.879 42.059 0.008 0.000 1.146 77 L HN 0.070 8.278 8.230 0.010 0.027 0.447 78 A N 3.937 126.762 122.820 0.009 0.000 1.546 78 A HA 0.102 4.429 4.320 0.012 0.000 0.212 78 A C -1.284 176.307 177.584 0.011 0.000 1.754 78 A CA 0.643 52.686 52.037 0.011 0.000 1.318 78 A CB 0.829 19.835 19.000 0.010 0.000 1.228 78 A HN 0.376 8.531 8.150 0.008 0.000 0.426 79 D N -2.909 117.498 120.400 0.010 0.000 3.486 79 D HA 0.002 4.649 4.640 0.011 0.000 0.294 79 D C -0.173 176.132 176.300 0.009 0.000 1.593 79 D CA -0.271 53.735 54.000 0.011 0.000 0.776 79 D CB 0.417 41.225 40.800 0.014 0.000 1.353 79 D HN -0.144 8.232 8.370 0.009 0.000 0.608 80 I N 0.337 120.910 120.570 0.006 0.000 2.206 80 I HA -0.312 4.162 4.170 0.002 -0.303 0.239 80 I C 1.995 178.111 176.117 -0.001 0.000 1.078 80 I CA 2.053 63.354 61.300 0.002 0.000 1.367 80 I CB 0.230 38.231 38.000 0.001 0.000 1.078 80 I HN -0.453 7.760 8.210 0.006 0.000 0.413 81 Q N 1.272 121.072 119.800 -0.001 0.000 2.376 81 Q HA -0.243 4.094 4.340 -0.006 0.000 0.211 81 Q C 0.474 176.473 176.000 -0.003 0.000 0.986 81 Q CA 2.634 58.436 55.803 -0.003 0.000 0.886 81 Q CB -0.259 28.479 28.738 -0.000 0.000 0.927 81 Q HN 0.077 8.348 8.270 0.001 0.000 0.457 82 A N -3.419 119.401 122.820 0.001 0.000 2.147 82 A HA 0.070 4.391 4.320 0.002 0.000 0.211 82 A C 1.347 178.931 177.584 -0.000 0.000 1.160 82 A CA 0.817 52.856 52.037 0.003 0.000 0.781 82 A CB 0.154 19.160 19.000 0.010 0.000 0.842 82 A HN -0.044 7.941 8.150 0.003 0.167 0.475 83 D N 0.594 120.992 120.400 -0.004 0.000 2.154 83 D HA -0.241 4.401 4.640 0.003 0.000 0.190 83 D C 0.731 177.007 176.300 -0.039 0.000 1.003 83 D CA 4.551 58.544 54.000 -0.012 0.000 0.849 83 D CB -2.403 38.387 40.800 -0.017 0.000 0.942 83 D HN 0.542 8.722 8.370 -0.002 0.189 0.446 84 P HA -0.191 4.178 4.420 -0.085 0.000 0.219 84 P C -0.555 176.709 177.300 -0.060 0.000 1.145 84 P CA 1.978 65.042 63.100 -0.061 0.000 0.813 84 P CB -0.411 31.266 31.700 -0.039 0.000 0.771 85 N N -6.071 112.610 118.700 -0.031 0.000 2.261 85 N HA 0.097 4.827 4.740 -0.016 0.000 0.241 85 N C -1.545 173.978 175.510 0.022 0.000 1.374 85 N CA -0.904 52.142 53.050 -0.008 0.000 0.802 85 N CB 1.528 40.014 38.487 -0.001 0.000 1.339 85 N HN 0.159 8.318 8.380 -0.021 0.209 0.498 86 S N 2.826 118.540 115.700 0.024 0.000 2.536 86 S HA -0.088 4.398 4.470 0.032 0.003 0.290 86 S C -0.192 174.449 174.600 0.067 0.000 1.302 86 S CA 0.889 59.115 58.200 0.044 0.000 1.037 86 S CB 0.923 64.155 63.200 0.052 0.000 0.804 86 S HN 0.048 8.154 8.310 0.003 0.206 0.506 87 P HA 0.002 4.455 4.420 0.055 0.000 0.220 87 P C 1.087 178.416 177.300 0.049 0.000 1.152 87 P CA 1.948 65.079 63.100 0.050 0.000 0.812 87 P CB 0.532 32.254 31.700 0.035 0.000 0.792 88 L N -1.931 119.319 121.223 0.044 0.000 2.012 88 L HA -0.309 4.019 4.340 -0.020 0.000 0.210 88 L C 1.494 178.385 176.870 0.035 0.000 1.073 88 L CA 3.422 58.273 54.840 0.019 0.000 0.748 88 L CB -0.191 41.880 42.059 0.019 0.000 0.891 88 L HN -0.549 7.708 8.230 0.045 0.000 0.431 89 Y N -2.935 117.358 120.300 -0.012 0.000 2.337 89 Y HA -0.225 4.318 4.550 -0.011 0.000 0.293 89 Y C 0.904 176.801 175.900 -0.005 0.000 1.123 89 Y CA 2.154 60.248 58.100 -0.009 0.000 1.201 89 Y CB 0.933 39.389 38.460 -0.007 0.000 1.011 89 Y HN -0.669 7.737 8.280 0.211 0.000 0.545 90 S N -1.808 114.021 115.700 0.215 0.000 2.474 90 S HA -0.222 4.361 4.470 0.187 0.000 0.235 90 S C -0.399 174.241 174.600 0.067 0.000 0.997 90 S CA 1.782 60.068 58.200 0.142 0.000 0.949 90 S CB 0.381 63.640 63.200 0.098 0.000 0.766 90 S HN -0.718 7.637 8.310 0.192 0.071 0.517 91 A N 0.817 123.655 122.820 0.029 0.000 2.544 91 A HA -0.091 4.245 4.320 0.027 0.000 0.301 91 A C -1.225 176.341 177.584 -0.030 0.000 1.368 91 A CA 0.501 52.541 52.037 0.005 0.000 1.045 91 A CB -0.641 18.352 19.000 -0.011 0.000 1.129 91 A HN -0.564 7.448 8.150 0.033 0.158 0.540 92 K N 0.854 121.248 120.400 -0.010 0.000 2.665 92 K HA 0.231 4.595 4.320 -0.062 -0.081 0.194 92 K C -0.098 176.496 176.600 -0.010 0.000 1.135 92 K CA -1.322 54.942 56.287 -0.038 0.000 1.089 92 K CB -0.230 32.236 32.500 -0.057 0.000 0.817 92 K HN -0.405 7.855 8.250 0.018 0.000 0.506 93 S N 0.450 116.175 115.700 0.042 0.000 2.629 93 S HA -0.064 4.464 4.470 0.097 0.000 0.250 93 S C 1.320 175.989 174.600 0.114 0.000 1.318 93 S CA -0.609 57.660 58.200 0.114 0.000 0.970 93 S CB 0.997 64.303 63.200 0.177 0.000 0.996 93 S HN -0.608 7.809 8.310 0.046 -0.078 0.563 94 F N 1.124 121.077 119.950 0.005 0.000 2.271 94 F HA -0.353 4.175 4.527 0.002 0.000 0.302 94 F C 0.063 175.864 175.800 0.003 0.000 1.063 94 F CA 2.975 60.977 58.000 0.004 0.000 1.362 94 F CB -1.025 37.980 39.000 0.008 0.000 1.060 94 F HN 0.490 9.225 8.300 0.725 0.000 0.521 95 D N -4.584 115.922 120.400 0.175 0.000 2.280 95 D HA -0.352 4.352 4.640 0.107 0.000 0.206 95 D C 1.455 177.780 176.300 0.042 0.000 0.988 95 D CA 2.536 56.594 54.000 0.096 0.000 0.886 95 D CB -1.167 39.675 40.800 0.071 0.000 0.914 95 D HN -0.018 8.418 8.370 0.197 0.052 0.473 96 E N -2.013 118.191 120.200 0.006 0.000 2.251 96 E HA 0.045 4.379 4.350 -0.027 0.000 0.194 96 E C 0.977 177.548 176.600 -0.048 0.000 0.964 96 E CA 0.698 57.078 56.400 -0.034 0.000 0.868 96 E CB 1.028 30.689 29.700 -0.066 0.000 0.828 96 E HN -0.127 8.081 8.360 0.009 0.158 0.481 97 L N -1.929 119.245 121.223 -0.081 0.000 2.872 97 L HA 0.244 4.535 4.340 -0.082 0.000 0.245 97 L C 0.065 176.916 176.870 -0.031 0.000 1.211 97 L CA -0.035 54.737 54.840 -0.113 0.000 1.013 97 L CB 0.208 42.107 42.059 -0.266 0.000 1.326 97 L HN -0.718 7.363 8.230 -0.091 0.094 0.525 98 G N -0.694 108.137 108.800 0.052 0.000 2.683 98 G HA2 0.154 4.181 3.960 0.112 0.000 0.149 98 G HA3 0.154 4.258 3.960 0.222 -0.011 0.149 98 G C -1.736 173.214 174.900 0.084 0.000 1.467 98 G CA 0.661 45.836 45.100 0.125 0.000 0.806 98 G HN 0.012 8.243 8.290 0.039 0.082 0.709 99 L N 3.221 124.498 121.223 0.089 0.000 2.257 99 L HA 0.189 4.560 4.340 0.051 0.000 0.290 99 L C -0.877 176.020 176.870 0.045 0.000 1.044 99 L CA -1.103 53.774 54.840 0.061 0.000 0.810 99 L CB 0.948 43.045 42.059 0.064 0.000 1.193 99 L HN -0.409 7.892 8.230 0.118 0.000 0.425 100 A N 4.568 127.407 122.820 0.031 0.000 2.583 100 A HA -0.061 4.265 4.320 0.011 0.000 0.231 100 A C -0.542 177.055 177.584 0.022 0.000 1.065 100 A CA -0.765 51.284 52.037 0.019 0.000 0.760 100 A CB -0.444 18.566 19.000 0.015 0.000 1.001 100 A HN 0.390 8.558 8.150 0.030 0.000 0.509 101 P HA -0.131 4.300 4.420 0.017 0.000 0.222 101 P C 0.841 178.150 177.300 0.015 0.000 1.153 101 P CA 1.874 64.978 63.100 0.006 0.000 0.798 101 P CB 0.169 31.857 31.700 -0.021 0.000 0.796 102 E N -1.132 119.078 120.200 0.017 0.000 2.070 102 E HA -0.272 4.095 4.350 0.028 0.000 0.197 102 E C 2.528 179.148 176.600 0.034 0.000 1.004 102 E CA 3.210 59.626 56.400 0.027 0.000 0.805 102 E CB -1.021 28.696 29.700 0.029 0.000 0.744 102 E HN 0.672 9.014 8.360 0.012 0.025 0.451 103 L N -2.291 118.950 121.223 0.031 0.000 1.970 103 L HA -0.236 4.286 4.340 0.019 -0.170 0.212 103 L C 2.824 179.731 176.870 0.062 0.000 1.071 103 L CA 2.458 57.318 54.840 0.033 0.000 0.751 103 L CB -0.534 41.543 42.059 0.030 0.000 0.889 103 L HN -0.637 7.610 8.230 0.027 0.000 0.432 104 L N -1.970 119.302 121.223 0.082 0.000 2.021 104 L HA -0.511 3.921 4.340 0.153 0.000 0.215 104 L C 2.625 179.631 176.870 0.225 0.000 1.074 104 L CA 3.159 58.092 54.840 0.154 0.000 0.760 104 L CB -0.562 41.588 42.059 0.151 0.000 0.889 104 L HN -0.685 7.584 8.230 0.065 0.000 0.433 105 K N -1.254 119.219 120.400 0.122 0.000 2.074 105 K HA -0.445 3.914 4.320 0.065 0.000 0.209 105 K C 2.522 179.213 176.600 0.152 0.000 1.048 105 K CA 3.544 59.891 56.287 0.101 0.000 0.926 105 K CB -0.314 32.203 32.500 0.028 0.000 0.713 105 K HN 0.293 8.584 8.250 0.069 0.000 0.444 106 G N -3.066 105.793 108.800 0.098 0.000 2.442 106 G HA2 -0.233 3.777 3.960 0.056 0.000 0.219 106 G HA3 -0.233 3.843 3.960 0.023 -0.101 0.219 106 G C 1.221 176.160 174.900 0.066 0.000 1.141 106 G CA 2.000 47.135 45.100 0.060 0.000 0.763 106 G HN -0.176 8.068 8.290 0.077 0.092 0.554 107 I N -0.623 119.998 120.570 0.085 0.000 2.493 107 I HA -0.318 3.836 4.170 -0.028 0.000 0.254 107 I C 0.660 176.779 176.117 0.002 0.000 1.160 107 I CA 2.061 63.373 61.300 0.021 0.000 1.445 107 I CB -0.011 37.998 38.000 0.014 0.000 1.086 107 I HN -0.707 7.462 8.210 0.111 0.107 0.433 108 Y N -2.338 117.966 120.300 0.006 0.000 2.314 108 Y HA -0.199 4.487 4.550 0.034 -0.116 0.293 108 Y C 1.134 177.038 175.900 0.007 0.000 1.129 108 Y CA 2.471 60.583 58.100 0.020 0.000 1.201 108 Y CB 0.497 38.974 38.460 0.029 0.000 0.999 108 Y HN -0.762 7.588 8.280 0.367 0.150 0.541 109 A N -2.825 120.084 122.820 0.148 0.000 2.123 109 A HA -0.119 4.254 4.320 0.089 0.000 0.214 109 A C 0.277 177.870 177.584 0.016 0.000 1.152 109 A CA 1.731 53.816 52.037 0.079 0.000 0.728 109 A CB 0.461 19.506 19.000 0.077 0.000 0.814 109 A HN -0.349 7.774 8.150 0.163 0.124 0.464 110 M N -3.645 115.943 119.600 -0.020 0.000 2.935 110 M HA 0.004 4.450 4.480 -0.057 0.000 0.213 110 M C 0.331 176.534 176.300 -0.162 0.000 1.427 110 M CA 0.456 55.713 55.300 -0.072 0.000 1.367 110 M CB 0.922 33.483 32.600 -0.065 0.000 1.038 110 M HN -0.348 7.787 8.290 -0.005 0.153 0.547 111 K N -1.872 118.394 120.400 -0.225 0.000 2.727 111 K HA 0.084 4.047 4.320 -0.594 0.000 0.299 111 K C 0.028 176.344 176.600 -0.473 0.000 0.996 111 K CA -0.679 55.322 56.287 -0.475 0.000 1.212 111 K CB 1.335 33.569 32.500 -0.442 0.000 1.529 111 K HN -0.176 7.977 8.250 -0.161 0.000 0.646 112 F N -1.176 118.683 119.950 -0.152 0.000 1.996 112 F HA -0.206 4.179 4.527 -0.237 0.000 0.237 112 F C 1.881 177.406 175.800 -0.460 0.000 1.004 112 F CA 0.683 58.536 58.000 -0.245 0.000 1.200 112 F CB -0.646 38.249 39.000 -0.176 0.000 1.887 112 F HN -0.163 7.503 8.300 -1.057 0.000 0.532 113 Q N -1.843 117.770 119.800 -0.310 0.000 2.049 113 Q HA -0.252 2.985 4.340 -1.838 0.000 0.198 113 Q C -0.879 175.012 176.000 -0.182 0.000 0.971 113 Q CA 2.735 58.113 55.803 -0.709 0.000 0.833 113 Q CB 0.484 29.015 28.738 -0.346 0.000 0.896 113 Q HN 0.231 8.455 8.270 -0.076 0.000 0.434 114 K N -8.307 112.071 120.400 -0.037 0.000 2.622 114 K HA 0.251 4.576 4.320 0.008 0.000 0.273 114 K C -2.164 174.455 176.600 0.031 0.000 0.957 114 K CA -1.730 54.567 56.287 0.016 0.000 0.861 114 K CB 0.065 32.592 32.500 0.045 0.000 1.405 114 K HN -0.688 7.555 8.250 -0.013 0.000 0.406 115 P HA -0.095 4.351 4.420 0.043 0.000 0.219 115 P C -0.849 176.446 177.300 -0.009 0.000 1.150 115 P CA 0.693 63.800 63.100 0.012 0.000 0.814 115 P CB -0.095 31.591 31.700 -0.023 0.000 0.787 116 S N -1.715 113.978 115.700 -0.010 0.000 3.269 116 S HA -0.335 4.125 4.470 -0.016 0.000 0.639 116 S C 0.758 175.340 174.600 -0.030 0.000 2.714 116 S CA 1.128 59.318 58.200 -0.018 0.000 2.894 116 S CB -0.204 62.986 63.200 -0.016 0.000 0.329 116 S HN -0.442 7.865 8.310 -0.005 0.000 1.793 117 K N -1.603 118.776 120.400 -0.035 0.000 2.362 117 K HA -0.216 4.078 4.320 -0.043 0.000 0.200 117 K C 0.960 177.535 176.600 -0.041 0.000 1.046 117 K CA 0.640 56.903 56.287 -0.040 0.000 0.952 117 K CB 0.006 32.482 32.500 -0.041 0.000 0.753 117 K HN 0.114 8.343 8.250 -0.035 0.000 0.466 118 I N 0.981 121.528 120.570 -0.038 0.000 3.279 118 I HA -0.476 3.670 4.170 -0.040 0.000 0.294 118 I C 0.005 176.098 176.117 -0.040 0.000 1.263 118 I CA 1.861 63.137 61.300 -0.040 0.000 1.389 118 I CB -0.526 37.448 38.000 -0.042 0.000 1.329 118 I HN -0.749 7.381 8.210 -0.035 0.058 0.594 119 Q N -1.780 117.996 119.800 -0.040 0.000 2.457 119 Q HA -0.396 3.922 4.340 -0.037 0.000 0.283 119 Q C -1.043 174.932 176.000 -0.042 0.000 1.234 119 Q CA 1.223 57.003 55.803 -0.038 0.000 0.877 119 Q CB -1.394 27.325 28.738 -0.033 0.000 1.250 119 Q HN 0.500 8.745 8.270 -0.042 0.000 0.481 120 E N -4.714 115.461 120.200 -0.042 0.000 2.755 120 E HA -0.483 3.841 4.350 -0.043 0.000 0.164 120 E C -0.488 176.078 176.600 -0.057 0.000 1.934 120 E CA 1.311 57.684 56.400 -0.045 0.000 0.658 120 E CB -1.968 27.707 29.700 -0.040 0.000 1.053 120 E HN 0.128 8.449 8.360 -0.039 0.016 0.334 121 R N -4.924 115.539 120.500 -0.062 0.000 3.251 121 R HA -0.550 3.744 4.340 -0.077 0.000 0.249 121 R C -0.762 175.486 176.300 -0.087 0.000 0.949 121 R CA 0.604 56.654 56.100 -0.084 0.000 0.645 121 R CB -2.786 27.444 30.300 -0.117 0.000 1.065 121 R HN 0.143 8.380 8.270 -0.054 0.000 0.452 122 A N -3.136 119.642 122.820 -0.070 0.000 1.587 122 A HA -0.440 3.849 4.320 -0.051 0.000 0.218 122 A C -0.841 176.700 177.584 -0.072 0.000 1.194 122 A CA 0.936 52.932 52.037 -0.069 0.000 0.729 122 A CB -0.705 18.241 19.000 -0.090 0.000 1.169 122 A HN -0.178 7.936 8.150 -0.060 0.000 0.234 123 L N -1.719 119.472 121.223 -0.053 0.000 3.271 123 L HA -0.374 3.943 4.340 -0.038 0.000 0.625 123 L C -1.779 175.059 176.870 -0.053 0.000 1.016 123 L CA -0.917 53.896 54.840 -0.045 0.000 1.256 123 L CB -1.183 40.853 42.059 -0.037 0.000 1.457 123 L HN -0.252 7.951 8.230 -0.046 0.000 0.754 124 P HA -0.202 4.267 4.420 -0.078 -0.095 0.067 124 P C -1.260 175.997 177.300 -0.071 0.000 0.765 124 P CA 1.604 64.666 63.100 -0.064 0.000 0.964 124 P CB -1.478 30.194 31.700 -0.046 0.000 1.679 125 L N -10.548 110.621 121.223 -0.090 0.000 2.195 125 L HA 0.037 4.493 4.340 -0.142 -0.201 0.517 125 L C -0.801 176.050 176.870 -0.033 0.000 0.769 125 L CA 0.501 55.297 54.840 -0.074 0.000 2.004 125 L CB -1.317 40.735 42.059 -0.012 0.000 1.398 125 L HN -0.107 8.029 8.230 -0.101 0.034 0.417 126 L N 0.088 121.267 121.223 -0.072 0.000 2.051 126 L HA -0.458 3.851 4.340 -0.050 0.000 0.214 126 L C 0.521 177.265 176.870 -0.210 0.000 1.076 126 L CA 3.651 58.397 54.840 -0.156 0.000 0.758 126 L CB 0.246 42.162 42.059 -0.239 0.000 0.890 126 L HN 0.059 8.138 8.230 -0.085 0.100 0.433 127 L N -5.428 115.714 121.223 -0.135 0.000 2.034 127 L HA -0.188 4.124 4.340 -0.047 0.000 0.203 127 L C -0.598 176.378 176.870 0.175 0.000 1.074 127 L CA 0.888 55.724 54.840 -0.006 0.000 0.748 127 L CB 1.026 43.109 42.059 0.041 0.000 0.905 127 L HN -0.302 7.830 8.230 -0.154 0.005 0.439 128 H N -7.279 111.825 119.070 0.056 0.000 2.987 128 H HA 0.144 4.771 4.556 0.118 0.000 0.316 128 H C -1.915 173.447 175.328 0.056 0.000 1.380 128 H CA -1.307 54.788 56.048 0.079 0.000 1.160 128 H CB 1.829 31.630 29.762 0.064 0.000 1.865 128 H HN -0.564 7.493 8.280 -0.371 0.000 0.521 129 N N -1.452 117.331 118.700 0.137 0.000 4.409 129 N HA 0.057 4.848 4.740 0.086 0.000 0.208 129 N C -2.738 172.822 175.510 0.085 0.000 1.233 129 N CA -0.549 52.538 53.050 0.061 0.000 0.881 129 N CB 2.089 40.560 38.487 -0.026 0.000 1.507 129 N HN 0.047 8.558 8.380 0.217 0.000 0.511 130 P HA 0.008 4.463 4.420 0.057 0.000 0.271 130 P C -2.030 175.297 177.300 0.046 0.000 1.197 130 P CA -0.541 62.589 63.100 0.051 0.000 0.777 130 P CB -0.079 31.642 31.700 0.033 0.000 0.827 131 P HA -0.256 4.263 4.420 0.040 -0.076 0.257 131 P C -0.801 176.515 177.300 0.026 0.000 1.153 131 P CA 0.989 64.108 63.100 0.032 0.000 0.762 131 P CB 0.073 31.785 31.700 0.021 0.000 0.743 132 R N 3.273 123.790 120.500 0.029 0.000 3.072 132 R HA 0.059 4.405 4.340 0.011 0.000 0.293 132 R C -1.615 174.697 176.300 0.021 0.000 1.210 132 R CA -0.560 55.552 56.100 0.020 0.000 1.121 132 R CB 2.607 32.919 30.300 0.021 0.000 1.286 132 R HN 0.142 8.435 8.270 0.037 0.000 0.393 133 N N 4.336 123.041 118.700 0.008 0.000 2.381 133 N HA 0.557 5.481 4.740 0.007 -0.180 0.254 133 N C -1.065 174.440 175.510 -0.008 0.000 1.264 133 N CA -0.286 52.765 53.050 0.002 0.000 0.942 133 N CB 1.705 40.189 38.487 -0.005 0.000 1.190 133 N HN 0.087 8.469 8.380 0.003 0.000 0.495 134 M N -5.002 114.581 119.600 -0.028 0.000 2.523 134 M HA 0.197 4.731 4.480 -0.031 -0.072 0.287 134 M C -1.940 174.304 176.300 -0.093 0.000 1.160 134 M CA 0.095 55.370 55.300 -0.043 0.000 0.902 134 M CB 3.831 36.417 32.600 -0.022 0.000 1.752 134 M HN -0.052 8.216 8.290 -0.037 0.000 0.504 135 I N 0.605 121.123 120.570 -0.087 0.000 2.581 135 I HA 0.172 4.262 4.170 -0.132 0.000 0.288 135 I C -0.495 175.507 176.117 -0.191 0.000 1.047 135 I CA -0.690 60.538 61.300 -0.120 0.000 1.374 135 I CB 1.137 39.100 38.000 -0.061 0.000 1.423 135 I HN 0.770 8.823 8.210 -0.060 0.121 0.549 136 A N 6.241 128.884 122.820 -0.294 0.000 2.483 136 A HA 0.489 4.785 4.320 -0.204 -0.098 0.308 136 A C -1.913 175.580 177.584 -0.152 0.000 1.291 136 A CA -1.495 50.344 52.037 -0.329 0.000 0.774 136 A CB 1.514 19.986 19.000 -0.879 0.000 1.134 136 A HN 0.699 8.600 8.150 -0.284 0.079 0.471 137 Q N 5.309 125.062 119.800 -0.078 0.000 2.278 137 Q HA 0.336 4.689 4.340 0.022 0.000 0.257 137 Q C -0.890 175.114 176.000 0.008 0.000 0.928 137 Q CA 0.098 55.889 55.803 -0.020 0.000 0.932 137 Q CB 2.167 30.862 28.738 -0.072 0.000 1.221 137 Q HN -0.021 8.194 8.270 -0.093 0.000 0.434 138 S N 0.396 116.126 115.700 0.050 0.000 3.636 138 S HA 0.119 4.600 4.470 0.018 0.000 0.304 138 S C -1.695 172.935 174.600 0.051 0.000 1.165 138 S CA -0.434 57.792 58.200 0.043 0.000 1.244 138 S CB 1.807 65.043 63.200 0.059 0.000 1.621 138 S HN 0.295 8.649 8.310 0.073 0.000 0.537 139 Q N 1.294 121.116 119.800 0.038 0.000 2.474 139 Q HA 0.019 4.374 4.340 0.024 0.000 0.256 139 Q C -0.020 176.010 176.000 0.050 0.000 1.048 139 Q CA 0.569 56.390 55.803 0.030 0.000 0.922 139 Q CB 0.251 28.992 28.738 0.006 0.000 1.288 139 Q HN -0.015 8.272 8.270 0.027 0.000 0.484 140 S N 1.661 117.384 115.700 0.038 0.000 3.211 140 S HA -0.343 4.158 4.470 0.052 0.000 0.375 140 S C 0.450 175.077 174.600 0.044 0.000 0.945 140 S CA 1.790 60.015 58.200 0.041 0.000 1.951 140 S CB -0.990 62.224 63.200 0.022 0.000 1.183 140 S HN 0.552 8.880 8.310 0.029 0.000 0.649 141 G N 4.458 113.308 108.800 0.084 0.000 2.395 141 G HA2 -0.363 3.722 3.960 0.208 0.000 0.292 141 G HA3 -0.363 3.781 3.960 0.056 -0.150 0.292 141 G C -1.036 173.875 174.900 0.019 0.000 0.953 141 G CA 1.077 46.233 45.100 0.094 0.000 1.207 141 G HN 0.083 8.436 8.290 0.104 0.000 0.503 142 T N -0.929 113.657 114.554 0.054 0.000 3.689 142 T HA 0.143 4.463 4.350 -0.050 0.000 0.293 142 T C 0.899 175.622 174.700 0.040 0.000 0.955 142 T CA 1.757 63.858 62.100 0.003 0.000 1.130 142 T CB 1.133 69.992 68.868 -0.014 0.000 1.138 142 T HN -0.343 7.892 8.240 0.103 0.067 0.477 143 G N 3.000 111.828 108.800 0.048 0.000 2.631 143 G HA2 -0.380 3.565 3.960 -0.025 0.000 0.219 143 G HA3 -0.380 3.639 3.960 0.008 -0.054 0.219 143 G C 1.030 175.980 174.900 0.083 0.000 1.214 143 G CA 2.663 47.776 45.100 0.022 0.000 0.785 143 G HN 0.300 8.670 8.290 0.046 -0.053 0.596 144 K N 1.223 121.742 120.400 0.199 0.000 2.097 144 K HA -0.213 4.226 4.320 0.198 0.000 0.205 144 K C 2.259 179.182 176.600 0.537 0.000 1.050 144 K CA 3.376 59.867 56.287 0.341 0.000 0.938 144 K CB -0.494 32.224 32.500 0.363 0.000 0.718 144 K HN 0.330 8.705 8.250 0.208 0.000 0.442 145 T N 0.649 115.456 114.554 0.421 0.000 2.720 145 T HA -0.371 3.944 4.350 -0.059 0.000 0.268 145 T C 2.292 177.039 174.700 0.078 0.000 1.037 145 T CA 4.507 66.613 62.100 0.010 0.000 1.144 145 T CB -0.591 68.074 68.868 -0.339 0.000 0.864 145 T HN -0.193 8.235 8.240 0.399 0.051 0.444 146 A N 1.680 124.531 122.820 0.053 0.000 1.865 146 A HA -0.290 4.020 4.320 -0.017 0.000 0.217 146 A C 1.198 178.803 177.584 0.035 0.000 1.191 146 A CA 2.959 55.003 52.037 0.011 0.000 0.623 146 A CB -0.969 18.019 19.000 -0.020 0.000 0.826 146 A HN 0.690 8.663 8.150 0.059 0.213 0.444 147 A N -0.734 122.111 122.820 0.041 0.000 1.859 147 A HA -0.393 3.898 4.320 -0.048 0.000 0.217 147 A C 2.046 179.614 177.584 -0.027 0.000 1.198 147 A CA 2.871 54.891 52.037 -0.029 0.000 0.629 147 A CB -0.583 18.366 19.000 -0.084 0.000 0.830 147 A HN -0.602 7.583 8.150 0.059 0.000 0.446 148 F N -2.575 117.425 119.950 0.083 0.000 2.202 148 F HA -0.294 4.285 4.527 0.086 0.000 0.301 148 F C 1.949 177.763 175.800 0.024 0.000 1.082 148 F CA 3.139 61.191 58.000 0.086 0.000 1.313 148 F CB -0.398 38.706 39.000 0.173 0.000 1.024 148 F HN 0.220 8.711 8.300 0.318 0.000 0.495 149 S N -0.661 115.133 115.700 0.158 0.000 2.383 149 S HA -0.394 4.105 4.470 0.048 0.000 0.229 149 S C 1.480 176.103 174.600 0.038 0.000 1.030 149 S CA 4.352 62.584 58.200 0.054 0.000 1.002 149 S CB -0.162 63.033 63.200 -0.009 0.000 0.829 149 S HN 0.515 8.683 8.310 0.155 0.234 0.467 150 L N -0.730 120.509 121.223 0.027 0.000 2.156 150 L HA -0.153 4.193 4.340 0.011 0.000 0.208 150 L C 1.239 178.124 176.870 0.026 0.000 1.095 150 L CA 3.153 58.001 54.840 0.014 0.000 0.770 150 L CB -0.797 41.262 42.059 -0.000 0.000 0.914 150 L HN -0.479 7.648 8.230 0.025 0.118 0.439 151 T N 3.188 117.764 114.554 0.037 0.000 2.668 151 T HA -0.434 3.940 4.350 0.039 0.000 0.262 151 T C 1.924 176.679 174.700 0.092 0.000 1.045 151 T CA 5.008 67.145 62.100 0.061 0.000 1.152 151 T CB 0.152 69.063 68.868 0.071 0.000 0.864 151 T HN -0.595 7.534 8.240 0.037 0.133 0.419 152 M N 1.041 120.716 119.600 0.124 0.000 2.080 152 M HA -0.463 4.073 4.480 0.092 0.000 0.260 152 M C 1.777 178.105 176.300 0.046 0.000 1.068 152 M CA 4.122 59.474 55.300 0.088 0.000 1.109 152 M CB -0.883 31.762 32.600 0.076 0.000 1.342 152 M HN 0.173 8.564 8.290 0.169 0.000 0.405 153 L N -3.538 117.704 121.223 0.033 0.000 2.137 153 L HA -0.415 3.928 4.340 0.006 0.000 0.213 153 L C 1.331 178.213 176.870 0.019 0.000 1.085 153 L CA 2.487 57.336 54.840 0.015 0.000 0.760 153 L CB -0.663 41.399 42.059 0.006 0.000 0.893 153 L HN -0.127 8.126 8.230 0.039 0.000 0.434 154 T N -3.106 111.465 114.554 0.028 0.000 2.755 154 T HA -0.201 4.162 4.350 0.022 0.000 0.251 154 T C 0.900 175.614 174.700 0.024 0.000 1.044 154 T CA 2.639 64.755 62.100 0.026 0.000 1.154 154 T CB 0.720 69.606 68.868 0.031 0.000 0.866 154 T HN -0.567 7.550 8.240 0.036 0.144 0.416 155 R N -1.577 118.941 120.500 0.031 0.000 2.355 155 R HA -0.201 4.146 4.340 0.013 0.000 0.219 155 R C 0.777 177.090 176.300 0.021 0.000 1.107 155 R CA 0.198 56.312 56.100 0.024 0.000 1.021 155 R CB -0.383 29.939 30.300 0.037 0.000 0.852 155 R HN -0.378 7.918 8.270 0.043 0.000 0.475 156 V N 0.751 120.678 119.914 0.020 0.000 2.390 156 V HA -0.295 3.995 4.120 0.013 -0.163 0.260 156 V C -0.853 175.247 176.094 0.010 0.000 1.043 156 V CA 0.813 63.121 62.300 0.013 0.000 1.047 156 V CB -1.578 30.251 31.823 0.009 0.000 1.066 156 V HN -0.076 8.014 8.190 0.024 0.114 0.481 157 N N 7.852 126.557 118.700 0.009 0.000 2.485 157 N HA 0.219 4.963 4.740 0.007 0.000 0.243 157 N C -1.312 174.201 175.510 0.006 0.000 0.987 157 N CA -2.302 50.752 53.050 0.007 0.000 0.940 157 N CB 0.652 39.143 38.487 0.006 0.000 1.122 157 N HN 0.514 9.418 8.380 0.009 -0.519 0.509 158 P HA 0.088 4.509 4.420 0.003 0.000 0.256 158 P C -0.063 177.240 177.300 0.004 0.000 1.335 158 P CA 0.124 63.226 63.100 0.004 0.000 0.808 158 P CB 0.187 31.889 31.700 0.004 0.000 1.305 159 E N 0.503 120.706 120.200 0.005 0.000 2.438 159 E HA -0.104 4.249 4.350 0.004 0.000 0.192 159 E C -0.482 176.120 176.600 0.004 0.000 1.110 159 E CA 1.533 57.935 56.400 0.004 0.000 0.893 159 E CB -1.218 28.485 29.700 0.005 0.000 0.990 159 E HN 0.480 8.718 8.360 0.005 0.125 0.490 160 D N -3.447 116.955 120.400 0.004 0.000 2.817 160 D HA 0.028 4.670 4.640 0.004 0.000 0.316 160 D C -1.365 174.937 176.300 0.003 0.000 1.565 160 D CA 0.179 54.181 54.000 0.004 0.000 0.901 160 D CB 0.292 41.095 40.800 0.005 0.000 1.520 160 D HN -0.497 7.731 8.370 0.004 0.145 0.404 161 A N -0.790 122.031 122.820 0.002 0.000 2.681 161 A HA -0.434 3.886 4.320 0.001 0.000 0.311 161 A C -0.472 177.112 177.584 -0.001 0.000 1.522 161 A CA 1.495 53.532 52.037 0.001 0.000 0.910 161 A CB -1.107 17.894 19.000 0.001 0.000 0.965 161 A HN -0.482 7.569 8.150 0.003 0.101 0.468 162 S N -2.780 112.920 115.700 0.000 0.000 2.617 162 S HA 0.593 5.061 4.470 -0.004 0.000 0.283 162 S C -1.722 172.876 174.600 -0.003 0.000 1.189 162 S CA -3.114 55.085 58.200 -0.001 0.000 1.036 162 S CB 1.277 64.479 63.200 0.003 0.000 1.014 162 S HN -0.276 8.001 8.310 0.002 0.034 0.522 163 P HA 0.016 4.559 4.420 -0.015 -0.132 0.276 163 P C -1.249 176.050 177.300 -0.001 0.000 1.243 163 P CA 0.100 63.193 63.100 -0.011 0.000 0.768 163 P CB 0.290 31.977 31.700 -0.021 0.000 0.856 164 Q N 2.356 122.156 119.800 -0.001 0.000 2.211 164 Q HA 0.173 4.525 4.340 0.021 0.000 0.242 164 Q C -1.159 174.848 176.000 0.011 0.000 0.825 164 Q CA 0.078 55.889 55.803 0.013 0.000 0.951 164 Q CB 2.881 31.628 28.738 0.016 0.000 1.130 164 Q HN -0.022 8.243 8.270 -0.009 0.000 0.496 165 A N -0.817 121.994 122.820 -0.015 0.000 2.446 165 A HA 0.522 4.827 4.320 -0.025 0.000 0.282 165 A C -2.748 174.773 177.584 -0.106 0.000 1.102 165 A CA -0.633 51.380 52.037 -0.041 0.000 0.737 165 A CB 2.534 21.517 19.000 -0.028 0.000 1.212 165 A HN -0.757 7.379 8.150 -0.024 0.000 0.434 166 I N 3.028 123.494 120.570 -0.173 0.000 2.392 166 I HA 0.274 4.434 4.170 -0.212 -0.117 0.295 166 I C -1.835 174.009 176.117 -0.455 0.000 0.985 166 I CA -0.844 60.279 61.300 -0.296 0.000 1.221 166 I CB 3.407 41.208 38.000 -0.331 0.000 1.366 166 I HN -0.280 7.843 8.210 -0.145 0.000 0.467 167 C N 5.332 124.405 119.300 -0.377 0.000 2.686 167 C HA 0.789 5.163 4.460 -0.477 -0.200 0.318 167 C C -1.643 173.175 174.990 -0.286 0.000 1.160 167 C CA -1.835 56.958 59.018 -0.374 0.000 1.396 167 C CB 3.060 30.623 27.740 -0.294 0.000 1.924 167 C HN 0.012 8.072 8.230 -0.285 0.000 0.471 168 L N -0.919 120.153 121.223 -0.251 0.000 2.505 168 L HA 0.737 5.180 4.340 -0.119 -0.174 0.259 168 L C -2.074 174.747 176.870 -0.082 0.000 0.952 168 L CA -0.951 53.808 54.840 -0.135 0.000 0.840 168 L CB 2.993 44.997 42.059 -0.092 0.000 1.358 168 L HN 0.491 8.555 8.230 -0.278 0.000 0.409 169 A N -0.349 122.437 122.820 -0.057 0.000 2.387 169 A HA 0.858 5.304 4.320 -0.025 -0.142 0.298 169 A C -2.239 175.335 177.584 -0.017 0.000 1.165 169 A CA -3.105 48.911 52.037 -0.035 0.000 0.814 169 A CB 2.384 21.357 19.000 -0.046 0.000 1.357 169 A HN 0.992 9.009 8.150 -0.056 0.099 0.443 170 P HA 0.050 4.464 4.420 -0.011 0.000 0.255 170 P C -1.788 175.501 177.300 -0.017 0.000 1.357 170 P CA 0.357 63.446 63.100 -0.018 0.000 0.839 170 P CB -0.676 31.005 31.700 -0.032 0.000 1.356 171 S N -3.120 112.569 115.700 -0.018 0.000 2.605 171 S HA 0.190 4.652 4.470 -0.014 0.000 0.279 171 S C -0.034 174.555 174.600 -0.019 0.000 1.166 171 S CA -1.239 56.950 58.200 -0.017 0.000 0.975 171 S CB 2.654 65.844 63.200 -0.018 0.000 1.111 171 S HN -0.986 7.207 8.310 -0.020 0.105 0.465 172 R N 4.468 124.957 120.500 -0.017 0.000 2.185 172 R HA -0.415 3.912 4.340 -0.022 0.000 0.247 172 R C 1.308 177.593 176.300 -0.024 0.000 1.159 172 R CA 2.921 59.008 56.100 -0.021 0.000 0.988 172 R CB -0.426 29.862 30.300 -0.020 0.000 0.871 172 R HN 0.699 8.961 8.270 -0.014 0.000 0.458 173 E N -1.175 119.013 120.200 -0.021 0.000 2.112 173 E HA -0.219 4.119 4.350 -0.020 0.000 0.190 173 E C 2.217 178.803 176.600 -0.024 0.000 0.979 173 E CA 2.582 58.970 56.400 -0.020 0.000 0.814 173 E CB -0.440 29.250 29.700 -0.016 0.000 0.762 173 E HN 0.124 8.429 8.360 -0.019 0.044 0.460 174 L N -0.322 120.886 121.223 -0.025 0.000 2.023 174 L HA -0.301 4.022 4.340 -0.028 0.000 0.205 174 L C 1.790 178.634 176.870 -0.044 0.000 1.073 174 L CA 2.758 57.580 54.840 -0.031 0.000 0.745 174 L CB -0.200 41.842 42.059 -0.028 0.000 0.900 174 L HN 0.455 8.544 8.230 -0.023 0.126 0.435 175 A N -1.292 121.501 122.820 -0.046 0.000 1.903 175 A HA -0.357 3.916 4.320 -0.079 0.000 0.219 175 A C 1.974 179.524 177.584 -0.057 0.000 1.191 175 A CA 3.058 55.059 52.037 -0.060 0.000 0.638 175 A CB -0.998 17.972 19.000 -0.051 0.000 0.823 175 A HN 0.328 8.456 8.150 -0.038 0.000 0.451 176 R N -2.481 117.994 120.500 -0.042 0.000 2.117 176 R HA -0.363 3.954 4.340 -0.037 0.000 0.243 176 R C 2.291 178.567 176.300 -0.039 0.000 1.143 176 R CA 2.862 58.941 56.100 -0.036 0.000 0.968 176 R CB -0.546 29.738 30.300 -0.026 0.000 0.863 176 R HN -0.079 8.064 8.270 -0.037 0.105 0.444 177 Q N -2.165 117.611 119.800 -0.040 0.000 2.167 177 Q HA -0.238 4.225 4.340 -0.032 -0.142 0.202 177 Q C 2.438 178.401 176.000 -0.063 0.000 0.970 177 Q CA 3.055 58.833 55.803 -0.041 0.000 0.855 177 Q CB -0.290 28.428 28.738 -0.034 0.000 0.911 177 Q HN 0.188 8.292 8.270 -0.039 0.143 0.438 178 T N 3.369 117.875 114.554 -0.080 0.000 2.788 178 T HA -0.314 3.962 4.350 -0.123 0.000 0.268 178 T C 1.514 176.148 174.700 -0.109 0.000 1.044 178 T CA 5.187 67.219 62.100 -0.114 0.000 1.139 178 T CB -0.434 68.350 68.868 -0.140 0.000 0.867 178 T HN 0.200 8.256 8.240 -0.074 0.140 0.454 179 L N 0.084 121.253 121.223 -0.089 0.000 2.012 179 L HA -0.365 3.916 4.340 -0.099 0.000 0.210 179 L C 1.784 178.592 176.870 -0.103 0.000 1.073 179 L CA 3.141 57.928 54.840 -0.088 0.000 0.748 179 L CB -1.523 40.500 42.059 -0.059 0.000 0.891 179 L HN -0.027 8.057 8.230 -0.077 0.100 0.431 180 E N -1.149 119.005 120.200 -0.077 0.000 2.086 180 E HA -0.445 3.863 4.350 -0.071 0.000 0.200 180 E C 2.917 179.442 176.600 -0.126 0.000 1.012 180 E CA 3.058 59.412 56.400 -0.077 0.000 0.812 180 E CB -0.300 29.379 29.700 -0.034 0.000 0.743 180 E HN -0.596 7.658 8.360 -0.059 0.070 0.453 181 V N -0.438 119.410 119.914 -0.111 0.000 2.261 181 V HA -0.417 3.642 4.120 -0.102 0.000 0.246 181 V C 1.967 177.971 176.094 -0.151 0.000 1.047 181 V CA 3.819 66.050 62.300 -0.116 0.000 1.015 181 V CB -0.725 31.035 31.823 -0.105 0.000 0.642 181 V HN -0.486 7.562 8.190 -0.097 0.085 0.446 182 V N -0.410 119.413 119.914 -0.152 0.000 2.546 182 V HA -0.525 3.517 4.120 -0.130 0.000 0.254 182 V C 2.707 178.656 176.094 -0.242 0.000 1.076 182 V CA 4.254 66.460 62.300 -0.158 0.000 1.087 182 V CB -1.138 30.606 31.823 -0.133 0.000 0.674 182 V HN 0.279 8.386 8.190 -0.139 0.000 0.470 183 Q N -2.462 117.133 119.800 -0.341 0.000 2.311 183 Q HA -0.192 3.712 4.340 -0.726 0.000 0.203 183 Q C 2.417 177.954 176.000 -0.771 0.000 0.954 183 Q CA 2.362 57.727 55.803 -0.731 0.000 0.885 183 Q CB -0.819 27.419 28.738 -0.832 0.000 0.963 183 Q HN 0.552 8.424 8.270 -0.266 0.238 0.471 184 E N 0.120 120.090 120.200 -0.383 0.000 2.051 184 E HA -0.184 4.045 4.350 -0.202 0.000 0.189 184 E C 1.946 178.457 176.600 -0.149 0.000 0.979 184 E CA 2.353 58.625 56.400 -0.213 0.000 0.803 184 E CB 0.109 29.744 29.700 -0.108 0.000 0.761 184 E HN 0.185 8.180 8.360 -0.288 0.192 0.451 185 M N -0.938 118.581 119.600 -0.136 0.000 2.325 185 M HA -0.025 4.428 4.480 -0.044 0.000 0.265 185 M C 1.968 178.214 176.300 -0.090 0.000 1.094 185 M CA 1.200 56.453 55.300 -0.078 0.000 1.161 185 M CB 0.541 33.108 32.600 -0.054 0.000 1.358 185 M HN 0.195 8.393 8.290 -0.154 0.000 0.446 186 G N -2.528 106.187 108.800 -0.143 0.000 2.776 186 G HA2 -0.266 3.653 3.960 -0.068 0.000 0.209 186 G HA3 -0.266 3.679 3.960 -0.139 -0.068 0.209 186 G C -0.522 174.301 174.900 -0.129 0.000 1.145 186 G CA 0.611 45.638 45.100 -0.122 0.000 0.791 186 G HN 0.352 8.405 8.290 -0.178 0.130 0.530 187 K N -1.875 118.417 120.400 -0.179 0.000 3.003 187 K HA -0.502 3.859 4.320 -0.062 -0.079 0.257 187 K C -0.856 175.818 176.600 0.123 0.000 0.958 187 K CA 0.810 57.075 56.287 -0.037 0.000 0.707 187 K CB -2.254 30.290 32.500 0.073 0.000 1.279 187 K HN -0.145 7.770 8.250 -0.210 0.209 0.479 188 F N -9.235 110.712 119.950 -0.005 0.000 2.945 188 F HA -0.531 3.991 4.527 -0.008 0.000 0.334 188 F C -0.079 175.717 175.800 -0.006 0.000 0.683 188 F CA 1.449 59.445 58.000 -0.007 0.000 1.044 188 F CB -2.024 36.972 39.000 -0.007 0.000 1.478 188 F HN -0.564 7.286 8.300 -0.722 0.017 0.324 189 T N -3.871 110.750 114.554 0.112 0.000 2.816 189 T HA -0.282 4.118 4.350 0.082 0.000 0.342 189 T C 0.331 175.066 174.700 0.058 0.000 1.066 189 T CA 0.993 63.135 62.100 0.071 0.000 1.130 189 T CB 0.687 69.572 68.868 0.029 0.000 1.074 189 T HN -0.016 7.987 8.240 0.061 0.274 0.525 190 K N -0.946 119.480 120.400 0.044 0.000 2.585 190 K HA -0.214 4.130 4.320 0.040 0.000 0.194 190 K C 0.340 176.952 176.600 0.021 0.000 1.037 190 K CA 0.657 56.964 56.287 0.033 0.000 0.964 190 K CB -0.697 31.817 32.500 0.024 0.000 0.787 190 K HN 0.093 8.367 8.250 0.040 0.000 0.488 191 I N -1.740 118.839 120.570 0.015 0.000 3.003 191 I HA -0.200 3.972 4.170 0.004 0.000 0.294 191 I C 0.971 177.088 176.117 0.000 0.000 1.237 191 I CA 0.615 61.917 61.300 0.003 0.000 1.417 191 I CB -0.129 37.866 38.000 -0.008 0.000 1.340 191 I HN -0.394 7.692 8.210 0.019 0.135 0.594 192 T N 1.261 115.813 114.554 -0.004 0.000 2.715 192 T HA -0.115 4.235 4.350 0.000 0.000 0.320 192 T C -0.799 173.892 174.700 -0.015 0.000 1.046 192 T CA 0.174 62.271 62.100 -0.005 0.000 0.983 192 T CB 1.319 70.184 68.868 -0.005 0.000 1.183 192 T HN -0.018 8.220 8.240 -0.004 0.000 0.522 193 S N -0.196 115.494 115.700 -0.016 0.000 2.931 193 S HA 0.124 4.791 4.470 -0.035 -0.218 0.276 193 S C -2.331 172.257 174.600 -0.020 0.000 0.709 193 S CA 0.407 58.590 58.200 -0.028 0.000 0.744 193 S CB 0.920 64.097 63.200 -0.038 0.000 0.942 193 S HN 0.007 8.311 8.310 -0.010 0.000 0.570 194 Q N 2.874 122.659 119.800 -0.023 0.000 2.575 194 Q HA 0.347 4.681 4.340 -0.010 0.000 0.290 194 Q C -2.437 173.554 176.000 -0.016 0.000 0.963 194 Q CA -1.142 54.654 55.803 -0.011 0.000 0.783 194 Q CB 2.502 31.243 28.738 0.006 0.000 1.467 194 Q HN 0.224 8.473 8.270 -0.034 0.000 0.402 195 L N -0.452 120.767 121.223 -0.006 0.000 2.375 195 L HA 0.670 5.109 4.340 -0.024 -0.113 0.268 195 L C -1.018 175.869 176.870 0.030 0.000 1.058 195 L CA -0.994 53.841 54.840 -0.008 0.000 0.803 195 L CB 2.704 44.752 42.059 -0.019 0.000 1.212 195 L HN 0.415 8.643 8.230 -0.003 0.000 0.451 196 I N 1.842 122.432 120.570 0.034 0.000 2.411 196 I HA 0.361 4.642 4.170 0.186 0.000 0.284 196 I C -1.807 174.377 176.117 0.112 0.000 1.012 196 I CA -1.954 59.408 61.300 0.103 0.000 1.119 196 I CB -0.444 37.588 38.000 0.054 0.000 1.261 196 I HN -0.061 8.153 8.210 0.005 0.000 0.448 197 V N 3.680 123.701 119.914 0.178 0.000 3.282 197 V HA 0.328 4.521 4.120 0.122 0.000 0.295 197 V C -2.692 173.458 176.094 0.094 0.000 1.451 197 V CA -3.208 59.155 62.300 0.105 0.000 1.062 197 V CB 1.621 33.447 31.823 0.005 0.000 1.128 197 V HN -0.018 8.340 8.190 0.280 0.000 0.456 198 P HA -0.096 4.501 4.420 0.295 0.000 0.253 198 P C -1.067 176.024 177.300 -0.349 0.000 1.170 198 P CA 1.465 64.589 63.100 0.040 0.000 0.806 198 P CB -0.470 31.245 31.700 0.026 0.000 0.775 199 D N -3.219 116.601 120.400 -0.966 0.000 3.070 199 D HA -0.340 3.289 4.640 -1.686 0.000 0.220 199 D C -0.625 175.045 176.300 -1.050 0.000 1.176 199 D CA 1.748 55.038 54.000 -1.184 0.000 0.924 199 D CB -0.965 39.611 40.800 -0.373 0.000 1.124 199 D HN 0.154 8.049 8.370 -0.791 0.000 0.411 200 S N -1.968 113.121 115.700 -1.020 0.000 2.572 200 S HA 0.164 4.416 4.470 -0.363 0.000 0.228 200 S C -0.904 173.480 174.600 -0.361 0.000 0.963 200 S CA 0.472 58.388 58.200 -0.472 0.000 0.939 200 S CB 0.689 63.752 63.200 -0.229 0.000 0.804 200 S HN 0.225 7.650 8.310 -1.140 0.201 0.480 201 F N -0.706 119.234 119.950 -0.016 0.000 2.557 201 F HA 0.390 4.903 4.527 -0.023 0.000 0.203 201 F C 0.507 176.297 175.800 -0.016 0.000 1.189 201 F CA -0.666 57.322 58.000 -0.019 0.000 0.935 201 F CB -0.640 38.347 39.000 -0.022 0.000 1.191 201 F HN -0.812 6.100 8.300 -2.152 0.096 0.665 202 E N -1.085 119.408 120.200 0.488 0.000 3.260 202 E HA 0.112 4.535 4.350 0.123 0.000 0.236 202 E C -0.274 176.490 176.600 0.274 0.000 1.120 202 E CA -0.108 56.433 56.400 0.235 0.000 0.889 202 E CB 1.797 31.584 29.700 0.145 0.000 3.210 202 E HN -0.074 8.831 8.360 0.908 0.000 0.577 203 K N -1.940 118.591 120.400 0.218 0.000 2.832 203 K HA 0.082 4.538 4.320 0.226 0.000 0.279 203 K C -1.344 175.300 176.600 0.073 0.000 2.110 203 K CA 0.221 56.604 56.287 0.160 0.000 1.163 203 K CB 0.867 33.420 32.500 0.088 0.000 2.731 203 K HN -0.183 8.163 8.250 0.161 0.000 0.582 204 N N 1.147 119.866 118.700 0.031 0.000 2.423 204 N HA 0.135 4.849 4.740 -0.043 0.000 0.262 204 N C -0.764 174.742 175.510 -0.006 0.000 1.467 204 N CA 0.393 53.437 53.050 -0.009 0.000 0.847 204 N CB 1.228 39.712 38.487 -0.006 0.000 1.394 204 N HN 0.123 8.526 8.380 0.039 0.000 0.495 205 K N 0.413 120.814 120.400 0.003 0.000 2.183 205 K HA 0.035 4.356 4.320 0.001 0.000 0.218 205 K C -0.972 175.625 176.600 -0.005 0.000 1.025 205 K CA 0.263 56.551 56.287 0.002 0.000 0.944 205 K CB 0.644 33.150 32.500 0.010 0.000 0.936 205 K HN -0.129 8.128 8.250 0.012 0.000 0.460 206 Q N -2.942 116.856 119.800 -0.003 0.000 2.503 206 Q HA 0.116 4.445 4.340 -0.019 0.000 0.268 206 Q C -2.038 173.959 176.000 -0.005 0.000 0.982 206 Q CA -0.574 55.223 55.803 -0.009 0.000 0.907 206 Q CB 2.620 31.355 28.738 -0.005 0.000 1.467 206 Q HN -0.348 7.925 8.270 0.005 0.000 0.394 207 I N 2.172 122.734 120.570 -0.013 0.000 2.371 207 I HA 0.059 4.231 4.170 0.004 0.000 0.290 207 I C -1.081 175.033 176.117 -0.006 0.000 1.028 207 I CA -0.890 60.406 61.300 -0.007 0.000 1.345 207 I CB 0.438 38.427 38.000 -0.019 0.000 1.407 207 I HN 0.265 8.462 8.210 -0.022 0.000 0.501 208 N N 4.401 123.101 118.700 -0.000 0.000 2.338 208 N HA 0.144 5.128 4.740 -0.003 -0.246 0.251 208 N C -1.016 174.492 175.510 -0.002 0.000 1.199 208 N CA -0.446 52.604 53.050 -0.001 0.000 0.879 208 N CB 1.171 39.660 38.487 0.003 0.000 1.159 208 N HN 0.297 8.680 8.380 0.005 0.000 0.514 209 A N 0.709 123.526 122.820 -0.005 0.000 3.094 209 A HA 0.177 4.493 4.320 -0.007 0.000 0.288 209 A C 0.328 177.902 177.584 -0.017 0.000 1.519 209 A CA -1.263 50.768 52.037 -0.010 0.000 1.227 209 A CB -1.795 17.200 19.000 -0.010 0.000 1.175 209 A HN -0.098 7.970 8.150 -0.006 0.079 0.568 210 Q N 0.318 120.110 119.800 -0.013 0.000 2.224 210 Q HA -0.322 4.178 4.340 -0.012 -0.166 0.213 210 Q C 0.439 176.425 176.000 -0.024 0.000 0.998 210 Q CA 3.064 58.858 55.803 -0.014 0.000 0.895 210 Q CB 0.308 29.041 28.738 -0.008 0.000 0.926 210 Q HN -0.279 7.941 8.270 -0.009 0.044 0.417 211 V N -1.693 118.203 119.914 -0.030 0.000 2.288 211 V HA 0.197 4.287 4.120 -0.050 0.000 0.266 211 V C -1.028 175.031 176.094 -0.058 0.000 1.048 211 V CA -1.439 60.833 62.300 -0.047 0.000 0.842 211 V CB -1.756 30.037 31.823 -0.049 0.000 1.064 211 V HN -0.408 7.748 8.190 -0.026 0.019 0.472 212 I N 8.539 129.066 120.570 -0.072 0.000 2.499 212 I HA 0.217 4.353 4.170 -0.057 0.000 0.296 212 I C -0.588 175.464 176.117 -0.109 0.000 0.992 212 I CA -1.575 59.678 61.300 -0.077 0.000 1.297 212 I CB 0.421 38.374 38.000 -0.078 0.000 1.410 212 I HN 0.073 8.238 8.210 -0.074 0.000 0.507 213 V N 1.213 121.071 119.914 -0.093 0.000 3.178 213 V HA 0.886 5.103 4.120 -0.150 -0.187 0.302 213 V C -0.854 175.195 176.094 -0.076 0.000 1.262 213 V CA -2.052 60.181 62.300 -0.110 0.000 1.030 213 V CB 4.417 36.177 31.823 -0.105 0.000 1.074 213 V HN 0.228 8.378 8.190 -0.065 0.000 0.438 214 G N 0.972 109.726 108.800 -0.078 0.000 2.513 214 G HA2 0.194 4.134 3.960 -0.033 0.000 0.182 214 G HA3 0.194 4.293 3.960 -0.021 -0.152 0.182 214 G C -2.857 172.021 174.900 -0.036 0.000 1.190 214 G CA 1.008 46.084 45.100 -0.040 0.000 0.987 214 G HN -0.170 8.059 8.290 -0.102 0.000 0.479 215 T N -1.496 113.052 114.554 -0.010 0.000 2.903 215 T HA 0.965 5.501 4.350 -0.010 -0.192 0.299 215 T C -2.415 172.298 174.700 0.022 0.000 1.093 215 T CA -3.869 58.231 62.100 0.000 0.000 1.002 215 T CB 2.276 71.147 68.868 0.004 0.000 1.127 215 T HN -0.007 8.236 8.240 0.006 0.000 0.488 216 P HA -0.003 4.459 4.420 0.071 0.000 0.276 216 P C -0.263 177.069 177.300 0.053 0.000 1.230 216 P CA 0.325 63.461 63.100 0.060 0.000 0.776 216 P CB -0.054 31.694 31.700 0.079 0.000 0.888 217 G N 3.931 112.765 108.800 0.056 0.000 3.031 217 G HA2 -0.157 3.835 3.960 0.053 0.000 0.198 217 G HA3 -0.157 3.833 3.960 0.049 0.000 0.198 217 G C 0.288 175.218 174.900 0.048 0.000 1.242 217 G CA 0.033 45.164 45.100 0.051 0.000 0.878 217 G HN 0.211 8.537 8.290 0.061 0.000 0.493 218 T N 4.667 119.254 114.554 0.056 0.000 3.035 218 T HA 0.027 4.411 4.350 0.058 0.000 0.259 218 T C 1.624 176.326 174.700 0.004 0.000 1.078 218 T CA 2.889 65.026 62.100 0.062 0.000 1.132 218 T CB 0.406 69.361 68.868 0.146 0.000 0.900 218 T HN -0.371 7.904 8.240 0.058 0.000 0.480 219 V N 3.105 123.023 119.914 0.007 0.000 2.287 219 V HA -0.453 3.632 4.120 -0.058 0.000 0.248 219 V C 1.918 177.964 176.094 -0.080 0.000 1.053 219 V CA 4.267 66.545 62.300 -0.036 0.000 1.027 219 V CB -0.335 31.489 31.823 0.002 0.000 0.646 219 V HN -0.461 7.747 8.190 0.030 0.000 0.447 220 L N -3.961 117.242 121.223 -0.033 0.000 2.265 220 L HA -0.221 4.064 4.340 -0.090 0.000 0.215 220 L C 1.730 178.571 176.870 -0.047 0.000 1.117 220 L CA 2.421 57.243 54.840 -0.030 0.000 0.782 220 L CB -0.888 41.203 42.059 0.052 0.000 0.914 220 L HN -0.111 8.123 8.230 0.007 0.000 0.441 221 D N 0.383 120.747 120.400 -0.060 0.000 2.091 221 D HA -0.201 4.412 4.640 -0.044 0.000 0.199 221 D C 2.275 178.482 176.300 -0.155 0.000 0.980 221 D CA 3.391 57.340 54.000 -0.084 0.000 0.831 221 D CB 0.360 41.108 40.800 -0.087 0.000 0.987 221 D HN -0.418 7.735 8.370 -0.048 0.188 0.460 222 L N -1.409 119.681 121.223 -0.222 0.000 2.353 222 L HA -0.408 3.760 4.340 -0.287 0.000 0.220 222 L C 1.607 178.352 176.870 -0.209 0.000 1.133 222 L CA 2.477 57.163 54.840 -0.257 0.000 0.798 222 L CB -0.173 41.720 42.059 -0.276 0.000 0.922 222 L HN -0.491 7.614 8.230 -0.209 0.000 0.445 223 M N -1.409 118.047 119.600 -0.240 0.000 2.160 223 M HA -0.228 4.245 4.480 -0.393 -0.229 0.264 223 M C 3.062 179.286 176.300 -0.127 0.000 1.073 223 M CA 3.541 58.614 55.300 -0.377 0.000 1.142 223 M CB 0.076 32.191 32.600 -0.808 0.000 1.358 223 M HN -0.495 7.503 8.290 -0.215 0.163 0.422 224 R N -0.816 119.675 120.500 -0.014 0.000 2.127 224 R HA -0.309 4.146 4.340 0.190 0.000 0.238 224 R C 2.178 178.496 176.300 0.030 0.000 1.134 224 R CA 3.002 59.151 56.100 0.081 0.000 0.975 224 R CB -0.507 29.826 30.300 0.055 0.000 0.865 224 R HN -0.596 7.645 8.270 -0.048 0.000 0.447 225 R N -3.027 117.454 120.500 -0.031 0.000 2.328 225 R HA -0.138 4.189 4.340 -0.021 0.000 0.207 225 R C 0.167 176.455 176.300 -0.019 0.000 1.056 225 R CA 1.126 57.203 56.100 -0.037 0.000 1.016 225 R CB -0.086 30.164 30.300 -0.083 0.000 0.872 225 R HN -0.672 7.538 8.270 -0.069 0.018 0.471 226 K N -5.600 114.796 120.400 -0.006 0.000 3.349 226 K HA -0.387 4.001 4.320 0.037 -0.045 0.310 226 K C -0.446 176.145 176.600 -0.016 0.000 1.267 226 K CA 1.810 58.107 56.287 0.017 0.000 0.920 226 K CB -2.284 30.240 32.500 0.041 0.000 1.240 226 K HN 0.131 8.155 8.250 -0.012 0.219 0.453 227 L N -2.661 118.533 121.223 -0.048 0.000 2.653 227 L HA -0.013 4.308 4.340 -0.032 0.000 0.231 227 L C -1.428 175.400 176.870 -0.070 0.000 1.153 227 L CA -0.836 53.973 54.840 -0.051 0.000 0.933 227 L CB 0.366 42.389 42.059 -0.060 0.000 1.175 227 L HN -0.687 7.431 8.230 -0.065 0.073 0.473 228 M N -2.776 116.769 119.600 -0.091 0.000 2.380 228 M HA 0.252 4.683 4.480 -0.081 0.000 0.202 228 M C -2.730 173.476 176.300 -0.156 0.000 0.975 228 M CA 0.526 55.757 55.300 -0.115 0.000 0.971 228 M CB 1.384 33.896 32.600 -0.147 0.000 2.685 228 M HN -0.461 7.673 8.290 -0.088 0.103 0.431 229 Q N 5.374 125.121 119.800 -0.088 0.000 2.320 229 Q HA 0.329 4.562 4.340 -0.177 0.000 0.268 229 Q C -0.006 175.987 176.000 -0.011 0.000 1.023 229 Q CA -1.510 54.256 55.803 -0.061 0.000 0.744 229 Q CB 2.626 31.390 28.738 0.043 0.000 1.246 229 Q HN 0.158 8.397 8.270 -0.052 0.000 0.462 230 L N 4.001 125.219 121.223 -0.009 0.000 2.633 230 L HA -0.242 4.121 4.340 0.038 0.000 0.235 230 L C 0.277 177.195 176.870 0.081 0.000 1.163 230 L CA 0.938 55.810 54.840 0.052 0.000 0.859 230 L CB -0.505 41.619 42.059 0.107 0.000 0.973 230 L HN 0.602 8.786 8.230 -0.076 0.000 0.451 231 Q N -3.448 116.409 119.800 0.095 0.000 2.242 231 Q HA -0.338 4.067 4.340 0.107 0.000 0.211 231 Q C 0.912 176.951 176.000 0.065 0.000 0.992 231 Q CA 2.075 57.935 55.803 0.096 0.000 0.889 231 Q CB -1.026 27.772 28.738 0.100 0.000 0.913 231 Q HN -0.074 8.134 8.270 0.097 0.120 0.422 232 K N -2.717 117.714 120.400 0.053 0.000 2.284 232 K HA 0.035 4.379 4.320 0.040 0.000 0.198 232 K C 0.113 176.740 176.600 0.045 0.000 1.048 232 K CA -0.206 56.106 56.287 0.041 0.000 0.987 232 K CB 0.837 33.355 32.500 0.030 0.000 0.800 232 K HN -0.792 7.460 8.250 0.050 0.027 0.486 233 I N -1.755 118.846 120.570 0.052 0.000 3.495 233 I HA -0.360 3.836 4.170 0.045 0.000 0.273 233 I C 0.793 176.954 176.117 0.072 0.000 1.313 233 I CA 2.336 63.672 61.300 0.060 0.000 1.313 233 I CB 0.542 38.587 38.000 0.077 0.000 1.355 233 I HN -0.340 7.790 8.210 0.052 0.111 0.623 234 K N -1.772 118.675 120.400 0.079 0.000 2.585 234 K HA 0.208 4.578 4.320 0.084 0.000 0.210 234 K C -1.221 175.443 176.600 0.107 0.000 1.294 234 K CA -0.614 55.725 56.287 0.086 0.000 1.025 234 K CB 1.947 34.489 32.500 0.071 0.000 1.076 234 K HN -0.007 8.287 8.250 0.074 0.000 0.613 235 I N -0.128 120.509 120.570 0.111 0.000 2.607 235 I HA 0.124 4.496 4.170 0.120 -0.130 0.290 235 I C -3.470 172.724 176.117 0.129 0.000 1.129 235 I CA -0.671 60.694 61.300 0.108 0.000 1.042 235 I CB 2.560 40.609 38.000 0.081 0.000 1.242 235 I HN -0.942 7.328 8.210 0.099 0.000 0.421 236 F N 8.077 128.011 119.950 -0.027 0.000 2.469 236 F HA 0.465 4.979 4.527 -0.022 0.000 0.332 236 F C -2.069 173.716 175.800 -0.026 0.000 1.103 236 F CA -1.840 56.148 58.000 -0.021 0.000 0.979 236 F CB 4.153 43.154 39.000 0.001 0.000 1.137 236 F HN -0.047 8.379 8.300 0.210 0.000 0.463 237 V N 6.524 126.253 119.914 -0.308 0.000 2.409 237 V HA 0.292 4.636 4.120 0.149 -0.135 0.290 237 V C -2.339 173.679 176.094 -0.127 0.000 1.017 237 V CA -0.959 61.251 62.300 -0.150 0.000 0.841 237 V CB 1.849 33.445 31.823 -0.379 0.000 1.003 237 V HN 0.376 8.104 8.190 -0.769 0.000 0.426 238 L N 7.621 128.952 121.223 0.179 0.000 2.255 238 L HA 0.492 4.873 4.340 0.068 0.000 0.289 238 L C -2.399 174.562 176.870 0.152 0.000 1.046 238 L CA -1.415 53.526 54.840 0.168 0.000 0.816 238 L CB 2.022 44.240 42.059 0.264 0.000 1.197 238 L HN -0.031 8.443 8.230 0.407 0.000 0.427 239 D N 7.294 127.689 120.400 -0.008 0.000 2.280 239 D HA 0.078 4.709 4.640 -0.017 0.000 0.243 239 D C -0.856 175.466 176.300 0.036 0.000 1.129 239 D CA 0.002 53.982 54.000 -0.033 0.000 0.848 239 D CB 1.626 42.347 40.800 -0.133 0.000 1.107 239 D HN 0.139 8.480 8.370 -0.048 0.000 0.471 240 E N 4.177 124.429 120.200 0.087 0.000 2.987 240 E HA -0.379 4.019 4.350 0.079 0.000 0.173 240 E C -1.330 175.305 176.600 0.058 0.000 1.485 240 E CA 0.672 57.110 56.400 0.064 0.000 0.733 240 E CB -1.133 28.579 29.700 0.022 0.000 1.105 240 E HN -0.015 8.432 8.360 0.146 0.000 0.390 241 A N 2.618 125.491 122.820 0.088 0.000 2.014 241 A HA -0.288 4.067 4.320 0.058 0.000 0.218 241 A C 0.812 178.409 177.584 0.022 0.000 1.163 241 A CA 2.815 54.894 52.037 0.070 0.000 0.652 241 A CB -0.065 19.002 19.000 0.112 0.000 0.808 241 A HN 0.483 8.705 8.150 0.120 0.000 0.449 242 D N -1.336 119.083 120.400 0.032 0.000 2.178 242 D HA -0.262 4.382 4.640 0.007 0.000 0.201 242 D C 2.002 178.285 176.300 -0.029 0.000 0.980 242 D CA 3.492 57.496 54.000 0.007 0.000 0.842 242 D CB 0.108 40.921 40.800 0.021 0.000 0.948 242 D HN 0.387 8.801 8.370 0.056 -0.011 0.472 243 N N -1.205 117.478 118.700 -0.028 0.000 2.424 243 N HA -0.116 4.597 4.740 -0.045 0.000 0.178 243 N C 1.819 177.276 175.510 -0.088 0.000 1.060 243 N CA 1.646 54.668 53.050 -0.046 0.000 0.901 243 N CB 0.340 38.810 38.487 -0.027 0.000 0.979 243 N HN 0.388 9.204 8.380 -0.008 -0.441 0.451 244 M N 0.336 119.866 119.600 -0.116 0.000 2.082 244 M HA -0.360 4.031 4.480 -0.149 0.000 0.258 244 M C 2.312 178.401 176.300 -0.351 0.000 1.071 244 M CA 3.518 58.688 55.300 -0.215 0.000 1.103 244 M CB -0.407 32.044 32.600 -0.248 0.000 1.307 244 M HN -0.719 7.370 8.290 -0.079 0.153 0.409 245 L N -4.672 116.306 121.223 -0.409 0.000 2.017 245 L HA -0.375 3.648 4.340 -0.528 0.000 0.208 245 L C 1.641 178.409 176.870 -0.169 0.000 1.073 245 L CA 2.820 57.443 54.840 -0.362 0.000 0.745 245 L CB -1.159 40.776 42.059 -0.208 0.000 0.894 245 L HN -0.726 7.304 8.230 -0.333 0.000 0.432 246 D N -3.090 117.240 120.400 -0.117 0.000 2.265 246 D HA -0.300 4.308 4.640 -0.053 0.000 0.208 246 D C 0.447 176.708 176.300 -0.065 0.000 0.977 246 D CA 2.573 56.532 54.000 -0.068 0.000 0.871 246 D CB 0.376 41.146 40.800 -0.051 0.000 0.925 246 D HN -0.499 7.800 8.370 -0.119 0.000 0.485 247 Q N -0.480 119.267 119.800 -0.089 0.000 2.788 247 Q HA 0.189 4.503 4.340 -0.044 0.000 0.278 247 Q C -1.229 174.729 176.000 -0.070 0.000 1.126 247 Q CA -2.032 53.732 55.803 -0.065 0.000 1.017 247 Q CB -0.716 27.987 28.738 -0.058 0.000 1.219 247 Q HN -0.646 7.353 8.270 -0.127 0.195 0.503 248 Q N 3.529 123.299 119.800 -0.051 0.000 2.354 248 Q HA -0.374 3.942 4.340 -0.039 0.000 0.310 248 Q C 0.043 176.042 176.000 -0.002 0.000 1.104 248 Q CA 1.662 57.451 55.803 -0.024 0.000 0.968 248 Q CB 0.088 28.826 28.738 0.001 0.000 1.251 248 Q HN -0.072 8.172 8.270 -0.042 0.000 0.411 249 G N 3.427 112.243 108.800 0.026 0.000 3.638 249 G HA2 -0.224 3.762 3.960 0.043 0.000 0.196 249 G HA3 -0.224 3.752 3.960 0.027 0.000 0.196 249 G C -0.744 174.196 174.900 0.066 0.000 1.315 249 G CA 0.013 45.136 45.100 0.039 0.000 0.944 249 G HN 0.184 8.502 8.290 0.047 0.000 0.434 250 L N 0.068 121.331 121.223 0.066 0.000 2.737 250 L HA 0.316 4.720 4.340 0.106 0.000 0.246 250 L C 1.165 178.170 176.870 0.225 0.000 1.153 250 L CA 0.291 55.203 54.840 0.120 0.000 0.920 250 L CB -0.869 41.250 42.059 0.101 0.000 1.090 250 L HN -0.301 7.943 8.230 0.024 0.000 0.430 251 G N 0.937 109.864 108.800 0.212 0.000 2.464 251 G HA2 -0.344 3.872 3.960 0.426 0.000 0.214 251 G HA3 -0.344 3.738 3.960 0.202 0.000 0.214 251 G C 0.758 175.731 174.900 0.122 0.000 1.218 251 G CA 2.039 47.288 45.100 0.248 0.000 0.794 251 G HN -0.067 8.158 8.290 0.146 0.153 0.542 252 D N 0.644 121.095 120.400 0.084 0.000 2.216 252 D HA 0.036 4.694 4.640 0.030 0.000 0.208 252 D C 2.027 178.360 176.300 0.056 0.000 0.960 252 D CA 2.077 56.107 54.000 0.049 0.000 0.861 252 D CB 0.500 41.323 40.800 0.038 0.000 0.985 252 D HN -0.292 8.130 8.370 0.086 0.000 0.493 253 Q N -0.547 119.297 119.800 0.072 0.000 2.045 253 Q HA -0.336 4.047 4.340 0.071 0.000 0.206 253 Q C 2.435 178.483 176.000 0.080 0.000 0.991 253 Q CA 3.304 59.153 55.803 0.077 0.000 0.851 253 Q CB -0.618 28.169 28.738 0.081 0.000 0.911 253 Q HN -0.064 8.253 8.270 0.078 0.000 0.418 254 C N -1.745 117.611 119.300 0.095 0.000 2.413 254 C HA -0.399 4.112 4.460 0.086 0.000 0.277 254 C C 1.981 176.979 174.990 0.013 0.000 1.228 254 C CA 4.481 63.545 59.018 0.078 0.000 1.731 254 C CB -0.296 27.521 27.740 0.128 0.000 2.042 254 C HN -0.649 7.650 8.230 0.116 0.000 0.468 255 I N -1.412 119.163 120.570 0.008 0.000 2.151 255 I HA -0.579 3.560 4.170 -0.051 0.000 0.243 255 I C 2.173 178.280 176.117 -0.015 0.000 1.080 255 I CA 2.378 63.662 61.300 -0.026 0.000 1.339 255 I CB -1.319 36.665 38.000 -0.027 0.000 1.039 255 I HN -0.829 7.398 8.210 0.028 0.000 0.409 256 R N -1.291 119.218 120.500 0.015 0.000 2.120 256 R HA -0.319 4.024 4.340 0.006 0.000 0.234 256 R C 2.927 179.273 176.300 0.077 0.000 1.123 256 R CA 3.260 59.381 56.100 0.034 0.000 0.975 256 R CB -0.241 30.094 30.300 0.058 0.000 0.866 256 R HN -0.112 8.174 8.270 0.025 0.000 0.446 257 V N -1.865 118.091 119.914 0.070 0.000 2.667 257 V HA -0.320 3.933 4.120 0.223 0.000 0.252 257 V C 1.107 177.191 176.094 -0.015 0.000 1.065 257 V CA 2.932 65.284 62.300 0.086 0.000 1.083 257 V CB -0.393 31.456 31.823 0.043 0.000 0.692 257 V HN -0.027 8.053 8.190 0.047 0.138 0.468 258 K N -1.578 118.770 120.400 -0.087 0.000 2.148 258 K HA -0.291 3.890 4.320 -0.231 0.000 0.204 258 K C 2.081 178.647 176.600 -0.056 0.000 1.050 258 K CA 2.568 58.775 56.287 -0.133 0.000 0.942 258 K CB -0.378 32.048 32.500 -0.124 0.000 0.724 258 K HN -0.359 7.699 8.250 -0.066 0.152 0.446 259 R N -3.670 116.813 120.500 -0.027 0.000 2.193 259 R HA -0.169 4.143 4.340 -0.047 0.000 0.213 259 R C 1.744 178.033 176.300 -0.019 0.000 1.055 259 R CA 2.062 58.136 56.100 -0.044 0.000 0.995 259 R CB -0.332 29.919 30.300 -0.082 0.000 0.893 259 R HN -0.911 7.335 8.270 -0.020 0.013 0.459 260 F N -2.721 117.203 119.950 -0.044 0.000 2.502 260 F HA -0.214 4.303 4.527 -0.016 0.000 0.298 260 F C -1.216 174.574 175.800 -0.018 0.000 1.111 260 F CA 1.560 59.547 58.000 -0.023 0.000 1.445 260 F CB 1.231 40.226 39.000 -0.009 0.000 1.081 260 F HN -0.726 7.535 8.300 0.166 0.139 0.558 261 L N -8.515 112.809 121.223 0.168 0.000 2.393 261 L HA 0.557 4.976 4.340 0.131 0.000 0.260 261 L C -2.440 174.447 176.870 0.028 0.000 1.002 261 L CA -3.777 51.122 54.840 0.098 0.000 0.818 261 L CB 2.059 44.165 42.059 0.077 0.000 1.369 261 L HN -0.948 7.176 8.230 0.100 0.166 0.412 262 P HA -0.005 4.418 4.420 0.006 0.000 0.254 262 P C -0.112 177.184 177.300 -0.006 0.000 1.467 262 P CA -0.320 62.788 63.100 0.014 0.000 1.281 262 P CB -1.239 30.479 31.700 0.029 0.000 1.754 263 K N 1.663 122.040 120.400 -0.038 0.000 2.293 263 K HA -0.464 3.796 4.320 -0.100 0.000 0.204 263 K C -0.366 176.219 176.600 -0.026 0.000 1.045 263 K CA 2.798 59.048 56.287 -0.063 0.000 0.933 263 K CB -1.329 31.125 32.500 -0.077 0.000 0.736 263 K HN 0.070 8.279 8.250 -0.040 0.016 0.463 264 D N -5.842 114.552 120.400 -0.009 0.000 2.400 264 D HA 0.049 4.691 4.640 0.003 0.000 0.243 264 D C 0.002 176.317 176.300 0.024 0.000 1.184 264 D CA -0.271 53.732 54.000 0.005 0.000 0.853 264 D CB -1.545 39.258 40.800 0.005 0.000 0.944 264 D HN -0.322 7.993 8.370 -0.010 0.049 0.501 265 T N 0.765 115.338 114.554 0.031 0.000 3.207 265 T HA -0.112 4.271 4.350 0.055 0.000 0.229 265 T C -0.822 173.921 174.700 0.071 0.000 0.999 265 T CA 1.988 64.121 62.100 0.056 0.000 1.386 265 T CB 1.063 69.972 68.868 0.068 0.000 1.130 265 T HN -0.298 7.818 8.240 0.020 0.136 0.435 266 Q N -0.321 119.527 119.800 0.079 0.000 4.056 266 Q HA 0.195 4.579 4.340 0.074 0.000 0.163 266 Q C -2.063 173.978 176.000 0.070 0.000 0.865 266 Q CA 0.027 55.880 55.803 0.083 0.000 0.779 266 Q CB 0.390 29.199 28.738 0.119 0.000 1.500 266 Q HN 0.102 8.421 8.270 0.082 0.000 0.462 267 L N 4.638 125.895 121.223 0.055 0.000 2.313 267 L HA 0.033 4.470 4.340 0.161 0.000 0.282 267 L C -2.039 174.840 176.870 0.015 0.000 1.092 267 L CA 0.410 55.295 54.840 0.075 0.000 0.831 267 L CB 0.934 43.016 42.059 0.038 0.000 1.159 267 L HN 0.536 8.790 8.230 0.040 0.000 0.442 268 V N 3.890 123.803 119.914 -0.001 0.000 2.487 268 V HA 0.500 4.670 4.120 -0.187 -0.162 0.298 268 V C -1.768 174.267 176.094 -0.097 0.000 1.028 268 V CA -2.055 60.139 62.300 -0.177 0.000 0.860 268 V CB 2.020 33.549 31.823 -0.490 0.000 0.991 268 V HN 0.080 8.324 8.190 0.090 0.000 0.427 269 L N 7.370 128.464 121.223 -0.215 0.000 2.325 269 L HA 0.315 4.769 4.340 0.190 0.000 0.279 269 L C -2.290 174.394 176.870 -0.310 0.000 1.054 269 L CA -0.860 53.950 54.840 -0.049 0.000 0.804 269 L CB 2.838 44.900 42.059 0.004 0.000 1.200 269 L HN 0.529 8.616 8.230 -0.239 0.000 0.436 270 F N 4.665 124.627 119.950 0.020 0.000 2.499 270 F HA 0.666 5.456 4.527 0.034 -0.243 0.333 270 F C -0.705 175.116 175.800 0.035 0.000 1.138 270 F CA -1.628 56.386 58.000 0.025 0.000 0.945 270 F CB 2.375 41.380 39.000 0.007 0.000 1.181 270 F HN 0.187 8.751 8.300 0.438 0.000 0.435 271 S N 2.989 118.788 115.700 0.164 0.000 2.357 271 S HA 0.161 4.712 4.470 0.136 0.000 0.209 271 S C -0.495 174.183 174.600 0.130 0.000 0.981 271 S CA -0.362 57.920 58.200 0.137 0.000 1.106 271 S CB 0.521 63.794 63.200 0.123 0.000 1.266 271 S HN 0.111 8.485 8.310 0.107 0.000 0.410 272 A N 3.700 126.593 122.820 0.121 0.000 2.204 272 A HA -0.289 4.206 4.320 0.097 -0.117 0.220 272 A C -0.577 177.111 177.584 0.173 0.000 1.165 272 A CA 2.520 54.627 52.037 0.115 0.000 0.671 272 A CB 0.123 19.177 19.000 0.090 0.000 0.792 272 A HN 0.450 8.671 8.150 0.119 0.000 0.473 273 T N -5.885 108.780 114.554 0.184 0.000 2.948 273 T HA -0.077 4.464 4.350 0.319 0.000 0.285 273 T C -1.511 173.399 174.700 0.350 0.000 1.019 273 T CA -1.712 60.529 62.100 0.235 0.000 1.013 273 T CB 2.632 71.549 68.868 0.082 0.000 1.117 273 T HN -0.646 7.588 8.240 0.144 0.092 0.533 274 F N -2.584 117.377 119.950 0.018 0.000 3.020 274 F HA 0.261 4.802 4.527 0.023 0.000 0.389 274 F C -1.788 174.023 175.800 0.018 0.000 1.265 274 F CA -1.810 56.202 58.000 0.019 0.000 1.195 274 F CB 0.172 39.180 39.000 0.014 0.000 2.250 274 F HN -0.137 8.082 8.300 -0.134 0.000 0.627 275 A N 2.047 124.748 122.820 -0.198 0.000 2.301 275 A HA 0.125 4.217 4.320 -0.380 0.000 0.287 275 A C 0.413 177.954 177.584 -0.072 0.000 1.274 275 A CA -0.742 51.162 52.037 -0.221 0.000 0.865 275 A CB 1.647 20.558 19.000 -0.149 0.000 1.324 275 A HN -0.044 8.058 8.150 -0.081 0.000 0.508 276 D N -1.490 118.877 120.400 -0.054 0.000 2.224 276 D HA -0.229 4.421 4.640 0.018 0.000 0.205 276 D C 1.507 177.821 176.300 0.023 0.000 0.965 276 D CA 2.902 56.901 54.000 -0.002 0.000 0.852 276 D CB 0.080 40.876 40.800 -0.007 0.000 0.947 276 D HN 0.321 8.644 8.370 -0.080 0.000 0.494 277 A N -1.423 121.406 122.820 0.015 0.000 2.067 277 A HA -0.102 4.252 4.320 0.057 0.000 0.217 277 A C 1.931 179.563 177.584 0.080 0.000 1.156 277 A CA 2.564 54.628 52.037 0.044 0.000 0.683 277 A CB -0.564 18.449 19.000 0.021 0.000 0.808 277 A HN 0.199 8.320 8.150 -0.010 0.023 0.455 278 V N -1.623 118.331 119.914 0.067 0.000 2.500 278 V HA -0.316 3.875 4.120 0.118 0.000 0.243 278 V C 1.664 177.836 176.094 0.130 0.000 1.039 278 V CA 3.117 65.479 62.300 0.103 0.000 1.053 278 V CB -0.042 31.833 31.823 0.086 0.000 0.695 278 V HN -0.864 7.198 8.190 0.037 0.151 0.463 279 R N -0.671 119.893 120.500 0.106 0.000 2.115 279 R HA -0.346 4.055 4.340 0.101 0.000 0.230 279 R C 2.373 178.720 176.300 0.078 0.000 1.111 279 R CA 3.776 59.933 56.100 0.096 0.000 0.976 279 R CB -0.277 30.078 30.300 0.092 0.000 0.870 279 R HN -0.360 7.962 8.270 0.087 0.000 0.445 280 Q N -0.834 119.015 119.800 0.081 0.000 2.062 280 Q HA -0.223 4.137 4.340 0.032 0.000 0.196 280 Q C 1.619 177.658 176.000 0.064 0.000 0.967 280 Q CA 2.784 58.622 55.803 0.059 0.000 0.832 280 Q CB -1.010 27.762 28.738 0.057 0.000 0.899 280 Q HN -0.250 8.052 8.270 0.085 0.019 0.442 281 Y N 1.393 121.704 120.300 0.018 0.000 2.293 281 Y HA -0.365 4.194 4.550 0.015 0.000 0.291 281 Y C 1.033 176.947 175.900 0.023 0.000 1.137 281 Y CA 2.852 60.964 58.100 0.019 0.000 1.202 281 Y CB 0.222 38.695 38.460 0.022 0.000 0.990 281 Y HN -0.649 7.770 8.280 0.232 0.000 0.537 282 A N -2.760 120.188 122.820 0.213 0.000 1.969 282 A HA -0.263 4.186 4.320 0.215 0.000 0.218 282 A C 1.395 178.994 177.584 0.024 0.000 1.169 282 A CA 2.716 54.840 52.037 0.145 0.000 0.635 282 A CB -0.588 18.491 19.000 0.131 0.000 0.810 282 A HN 0.510 8.666 8.150 0.220 0.127 0.445 283 K N -3.052 117.345 120.400 -0.005 0.000 2.243 283 K HA -0.129 4.180 4.320 -0.018 0.000 0.201 283 K C 2.105 178.659 176.600 -0.077 0.000 1.051 283 K CA 1.819 58.089 56.287 -0.029 0.000 0.970 283 K CB -0.071 32.422 32.500 -0.012 0.000 0.755 283 K HN -0.450 7.696 8.250 0.017 0.115 0.465 284 K N -1.413 118.903 120.400 -0.140 0.000 2.020 284 K HA -0.285 3.963 4.320 -0.119 0.000 0.212 284 K C 1.484 177.993 176.600 -0.151 0.000 1.050 284 K CA 2.352 58.537 56.287 -0.171 0.000 0.929 284 K CB -0.478 31.850 32.500 -0.287 0.000 0.714 284 K HN -0.578 7.575 8.250 -0.160 0.000 0.443 285 I N -3.434 117.029 120.570 -0.179 0.000 2.339 285 I HA -0.165 3.939 4.170 -0.111 0.000 0.245 285 I C 0.236 176.308 176.117 -0.076 0.000 1.096 285 I CA 2.022 63.250 61.300 -0.121 0.000 1.408 285 I CB 1.886 39.815 38.000 -0.119 0.000 1.092 285 I HN -0.385 7.677 8.210 -0.246 0.000 0.423 286 V N -2.844 117.037 119.914 -0.055 0.000 3.563 286 V HA 0.031 4.132 4.120 -0.031 0.000 0.270 286 V C -2.673 173.417 176.094 -0.006 0.000 1.819 286 V CA 1.915 64.197 62.300 -0.030 0.000 0.993 286 V CB -1.027 30.777 31.823 -0.031 0.000 0.914 286 V HN -0.678 7.476 8.190 -0.060 0.000 0.371 287 P HA -0.308 4.135 4.420 0.038 0.000 0.221 287 P C -0.882 176.437 177.300 0.031 0.000 1.145 287 P CA 2.115 65.242 63.100 0.045 0.000 0.812 287 P CB -0.602 31.162 31.700 0.107 0.000 0.755 288 N N -3.937 114.777 118.700 0.022 0.000 2.451 288 N HA 0.004 4.761 4.740 0.028 0.000 0.264 288 N C -0.878 174.634 175.510 0.005 0.000 1.167 288 N CA -1.185 51.878 53.050 0.022 0.000 0.898 288 N CB -0.004 38.501 38.487 0.030 0.000 1.176 288 N HN -0.241 7.990 8.380 0.012 0.155 0.507 289 A N -0.445 122.372 122.820 -0.005 0.000 3.155 289 A HA 0.082 4.397 4.320 -0.008 0.000 0.170 289 A C -0.851 176.725 177.584 -0.013 0.000 2.084 289 A CA -0.209 51.823 52.037 -0.009 0.000 1.019 289 A CB 1.046 20.040 19.000 -0.010 0.000 1.912 289 A HN -0.493 7.570 8.150 -0.006 0.084 0.816 290 N N 0.296 118.987 118.700 -0.015 0.000 2.315 290 N HA -0.261 4.469 4.740 -0.017 0.000 0.270 290 N C -0.760 174.732 175.510 -0.030 0.000 1.329 290 N CA 1.349 54.388 53.050 -0.019 0.000 0.860 290 N CB 0.339 38.817 38.487 -0.014 0.000 1.095 290 N HN -0.324 8.049 8.380 -0.012 0.000 0.487 291 T N 6.043 120.577 114.554 -0.033 0.000 2.738 291 T HA -0.112 4.206 4.350 -0.053 0.000 0.294 291 T C -1.303 173.359 174.700 -0.063 0.000 0.914 291 T CA 0.775 62.844 62.100 -0.051 0.000 1.052 291 T CB 0.202 69.039 68.868 -0.051 0.000 0.897 291 T HN 0.095 8.318 8.240 -0.027 0.000 0.522 292 L N 7.898 129.078 121.223 -0.072 0.000 2.346 292 L HA 0.390 4.694 4.340 -0.060 0.000 0.276 292 L C -1.767 175.052 176.870 -0.084 0.000 1.006 292 L CA -1.090 53.710 54.840 -0.066 0.000 0.817 292 L CB 2.447 44.478 42.059 -0.046 0.000 1.272 292 L HN -0.138 8.045 8.230 -0.079 0.000 0.421 293 E N 2.509 122.662 120.200 -0.079 0.000 2.290 293 E HA 0.265 4.698 4.350 -0.080 -0.131 0.274 293 E C -1.519 175.053 176.600 -0.048 0.000 0.889 293 E CA -0.886 55.463 56.400 -0.086 0.000 0.760 293 E CB 3.601 33.213 29.700 -0.146 0.000 1.206 293 E HN 0.180 8.499 8.360 -0.068 0.000 0.419 294 L N 5.995 127.202 121.223 -0.026 0.000 2.262 294 L HA 0.342 4.693 4.340 0.020 0.000 0.288 294 L C -1.400 175.479 176.870 0.015 0.000 1.035 294 L CA -0.514 54.331 54.840 0.008 0.000 0.820 294 L CB 0.242 42.306 42.059 0.009 0.000 1.204 294 L HN 0.009 8.222 8.230 -0.029 0.000 0.424 295 Q N 1.982 121.800 119.800 0.030 0.000 2.418 295 Q HA 0.196 4.561 4.340 0.042 0.000 0.282 295 Q C -0.715 175.318 176.000 0.054 0.000 1.044 295 Q CA -0.611 55.213 55.803 0.034 0.000 0.813 295 Q CB 3.109 31.849 28.738 0.002 0.000 1.428 295 Q HN 0.179 8.468 8.270 0.031 0.000 0.402 296 T N 0.000 114.593 114.554 0.064 0.000 3.816 296 T HA 0.000 4.391 4.350 0.068 0.000 0.228 296 T CA 0.000 62.133 62.100 0.055 0.000 1.349 296 T CB 0.000 68.901 68.868 0.054 0.000 0.612 296 T HN 0.000 8.278 8.240 0.063 0.000 0.658