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 2jo7_1_A DATA FIRST_RESID 69 DATA SEQUENCE VKTLDVLRGE LRGQREAFLS EIIKSDGPFT ILQLVGYLRV VDTDLLLKVD DATA SEQUENCE STKVDEAGKK VKAYLEKIGI RGDSVEAALD NLMIKVYEIT KGTVESSAQG DATA SEQUENCE TDSEELKTLL LKFSEDLKAE QELHSEAKGG EALLSSMKTQ HDELLKKFAA DATA SEQUENCE LTPTFLTSED ISGYLTVPEY GAPMNAAKWK KVEGMIHGKL ESSEVPANLK DATA SEQUENCE ALVAELIELR EQMMDLLYGP IGHH 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 69 V HA 0.000 4.123 4.120 0.005 0.000 0.244 69 V C 0.000 176.098 176.094 0.006 0.000 1.182 69 V CA 0.000 62.303 62.300 0.005 0.000 1.235 69 V CB 0.000 31.826 31.823 0.005 0.000 1.184 70 K N 2.753 123.157 120.400 0.007 0.000 2.380 70 K HA 0.241 4.566 4.320 0.009 0.000 0.267 70 K C -1.616 174.989 176.600 0.008 0.000 0.990 70 K CA 0.521 56.813 56.287 0.008 0.000 0.946 70 K CB 1.028 33.533 32.500 0.009 0.000 0.937 70 K HN 0.812 9.066 8.250 0.007 0.000 0.491 71 T N 0.666 115.226 114.554 0.009 0.000 2.865 71 T HA 0.026 4.380 4.350 0.008 0.000 0.294 71 T C 0.462 175.169 174.700 0.011 0.000 1.119 71 T CA -1.663 60.443 62.100 0.009 0.000 1.007 71 T CB 2.355 71.227 68.868 0.007 0.000 1.225 71 T HN -0.141 8.105 8.240 0.010 0.000 0.515 72 L N -3.621 117.608 121.223 0.010 0.000 2.127 72 L HA -0.143 4.205 4.340 0.015 0.000 0.211 72 L C 0.773 177.651 176.870 0.014 0.000 1.089 72 L CA 3.192 58.039 54.840 0.012 0.000 0.757 72 L CB -0.313 41.750 42.059 0.007 0.000 0.899 72 L HN 0.335 8.569 8.230 0.007 0.000 0.434 73 D N -0.535 119.871 120.400 0.011 0.000 2.234 73 D HA -0.102 4.548 4.640 0.015 0.000 0.205 73 D C 2.443 178.753 176.300 0.017 0.000 0.962 73 D CA 3.086 57.094 54.000 0.013 0.000 0.855 73 D CB -0.178 40.628 40.800 0.009 0.000 0.951 73 D HN -0.615 7.742 8.370 0.009 0.018 0.500 74 V N 1.151 121.074 119.914 0.015 0.000 2.427 74 V HA -0.353 3.777 4.120 0.017 0.000 0.248 74 V C 2.077 178.183 176.094 0.020 0.000 1.051 74 V CA 3.697 66.007 62.300 0.017 0.000 1.048 74 V CB -0.366 31.466 31.823 0.014 0.000 0.666 74 V HN -0.458 7.640 8.190 0.013 0.100 0.456 75 L N 0.514 121.749 121.223 0.020 0.000 2.046 75 L HA -0.188 4.165 4.340 0.022 0.000 0.208 75 L C 1.992 178.880 176.870 0.029 0.000 1.077 75 L CA 3.010 57.864 54.840 0.023 0.000 0.747 75 L CB -0.349 41.723 42.059 0.022 0.000 0.896 75 L HN 0.242 8.483 8.230 0.018 0.000 0.432 76 R N -1.646 118.873 120.500 0.031 0.000 2.081 76 R HA -0.373 3.994 4.340 0.045 0.000 0.235 76 R C 2.452 178.775 176.300 0.039 0.000 1.131 76 R CA 3.903 60.026 56.100 0.039 0.000 0.960 76 R CB -0.483 29.839 30.300 0.037 0.000 0.856 76 R HN -0.199 8.003 8.270 0.026 0.084 0.436 77 G N -1.269 107.550 108.800 0.032 0.000 2.440 77 G HA2 -0.296 3.685 3.960 0.035 0.000 0.218 77 G HA3 -0.296 3.680 3.960 0.027 0.000 0.218 77 G C 1.170 176.090 174.900 0.033 0.000 1.154 77 G CA 1.755 46.874 45.100 0.032 0.000 0.767 77 G HN 0.296 8.492 8.290 0.028 0.111 0.552 78 E N 1.983 122.201 120.200 0.030 0.000 2.106 78 E HA -0.279 4.089 4.350 0.030 0.000 0.192 78 E C 2.241 178.863 176.600 0.036 0.000 0.984 78 E CA 2.552 58.971 56.400 0.030 0.000 0.806 78 E CB -0.244 29.471 29.700 0.025 0.000 0.750 78 E HN -0.129 8.248 8.360 0.028 0.000 0.458 79 L N 0.207 121.453 121.223 0.039 0.000 2.046 79 L HA -0.309 4.055 4.340 0.040 0.000 0.208 79 L C 1.534 178.435 176.870 0.052 0.000 1.077 79 L CA 3.160 58.026 54.840 0.044 0.000 0.747 79 L CB -0.585 41.502 42.059 0.046 0.000 0.896 79 L HN -0.104 8.149 8.230 0.037 0.000 0.432 80 R N -1.729 118.803 120.500 0.052 0.000 2.120 80 R HA -0.350 4.027 4.340 0.062 0.000 0.234 80 R C 2.510 178.845 176.300 0.058 0.000 1.123 80 R CA 3.797 59.931 56.100 0.057 0.000 0.975 80 R CB -0.313 30.018 30.300 0.052 0.000 0.866 80 R HN 0.320 8.619 8.270 0.049 0.000 0.446 81 G N -0.606 108.225 108.800 0.052 0.000 2.421 81 G HA2 -0.348 3.644 3.960 0.053 0.000 0.216 81 G HA3 -0.348 3.639 3.960 0.045 0.000 0.216 81 G C 1.094 176.034 174.900 0.066 0.000 1.171 81 G CA 1.896 47.028 45.100 0.053 0.000 0.775 81 G HN -0.033 8.156 8.290 0.046 0.129 0.543 82 Q N 1.865 121.703 119.800 0.064 0.000 2.124 82 Q HA -0.284 4.102 4.340 0.076 0.000 0.202 82 Q C 2.661 178.727 176.000 0.109 0.000 0.977 82 Q CA 2.976 58.824 55.803 0.075 0.000 0.850 82 Q CB -0.210 28.561 28.738 0.055 0.000 0.901 82 Q HN -0.134 8.168 8.270 0.053 0.000 0.429 83 R N -1.241 119.323 120.500 0.106 0.000 2.066 83 R HA -0.257 4.193 4.340 0.183 0.000 0.232 83 R C 2.557 178.945 176.300 0.147 0.000 1.131 83 R CA 2.099 58.280 56.100 0.136 0.000 0.955 83 R CB -0.545 29.814 30.300 0.098 0.000 0.851 83 R HN -0.084 8.236 8.270 0.083 0.000 0.432 84 E N -0.146 120.120 120.200 0.110 0.000 2.153 84 E HA -0.288 4.119 4.350 0.095 0.000 0.194 84 E C 2.262 178.936 176.600 0.122 0.000 0.988 84 E CA 2.888 59.348 56.400 0.099 0.000 0.811 84 E CB -0.188 29.556 29.700 0.073 0.000 0.746 84 E HN 0.210 8.513 8.360 0.091 0.112 0.466 85 A N 0.006 122.908 122.820 0.137 0.000 1.902 85 A HA -0.232 4.164 4.320 0.127 0.000 0.217 85 A C 1.860 179.597 177.584 0.256 0.000 1.181 85 A CA 3.259 55.393 52.037 0.161 0.000 0.623 85 A CB -0.842 18.244 19.000 0.142 0.000 0.818 85 A HN 0.425 8.646 8.150 0.119 0.000 0.443 86 F N -0.458 119.548 119.950 0.093 0.000 2.186 86 F HA -0.278 4.316 4.527 0.112 0.000 0.299 86 F C 1.445 177.323 175.800 0.130 0.000 1.090 86 F CA 1.090 59.155 58.000 0.108 0.000 1.307 86 F CB 0.115 39.175 39.000 0.100 0.000 1.019 86 F HN -0.782 7.710 8.300 0.318 0.000 0.489 87 L N -0.729 120.569 121.223 0.125 0.000 2.093 87 L HA -0.393 3.911 4.340 -0.060 0.000 0.208 87 L C 1.792 178.699 176.870 0.063 0.000 1.085 87 L CA 2.695 57.556 54.840 0.035 0.000 0.755 87 L CB -0.464 41.633 42.059 0.062 0.000 0.904 87 L HN -0.015 8.247 8.230 0.182 0.076 0.435 88 S N -0.526 115.230 115.700 0.093 0.000 2.368 88 S HA -0.446 4.060 4.470 0.060 0.000 0.225 88 S C 1.806 176.458 174.600 0.086 0.000 1.030 88 S CA 3.925 62.172 58.200 0.078 0.000 0.999 88 S CB -0.369 62.875 63.200 0.073 0.000 0.844 88 S HN 0.518 8.786 8.310 0.114 0.110 0.459 89 E N 2.072 122.357 120.200 0.141 0.000 2.153 89 E HA -0.292 4.124 4.350 0.110 0.000 0.194 89 E C 2.486 179.151 176.600 0.109 0.000 0.988 89 E CA 2.823 59.318 56.400 0.159 0.000 0.811 89 E CB -0.128 29.749 29.700 0.295 0.000 0.746 89 E HN -0.447 8.024 8.360 0.184 0.000 0.466 90 I N -2.212 118.402 120.570 0.073 0.000 2.226 90 I HA -0.393 3.944 4.170 0.065 -0.128 0.245 90 I C 1.723 177.889 176.117 0.083 0.000 1.100 90 I CA 4.060 65.398 61.300 0.063 0.000 1.374 90 I CB 0.380 38.379 38.000 -0.001 0.000 1.057 90 I HN -0.166 7.993 8.210 0.064 0.089 0.413 91 I N -5.948 114.658 120.570 0.059 0.000 2.439 91 I HA -0.309 3.895 4.170 0.056 0.000 0.251 91 I C 1.265 177.407 176.117 0.042 0.000 1.139 91 I CA 2.303 63.633 61.300 0.050 0.000 1.438 91 I CB 0.140 38.163 38.000 0.039 0.000 1.085 91 I HN -0.477 7.765 8.210 0.054 0.000 0.427 92 K N -0.943 119.479 120.400 0.038 0.000 2.366 92 K HA -0.166 4.167 4.320 0.022 0.000 0.198 92 K C 0.270 176.879 176.600 0.015 0.000 1.044 92 K CA 0.660 56.962 56.287 0.025 0.000 0.973 92 K CB 0.299 32.812 32.500 0.022 0.000 0.767 92 K HN 0.121 8.398 8.250 0.045 0.000 0.475 93 S N -1.019 114.684 115.700 0.006 0.000 2.737 93 S HA 0.150 4.601 4.470 -0.033 0.000 0.269 93 S C -2.002 172.526 174.600 -0.120 0.000 1.150 93 S CA -0.993 57.179 58.200 -0.047 0.000 1.077 93 S CB 0.682 63.846 63.200 -0.059 0.000 1.075 93 S HN -0.390 7.784 8.310 0.021 0.148 0.476 94 D N 6.451 126.815 120.400 -0.060 0.000 2.559 94 D HA 0.173 4.875 4.640 0.103 0.000 0.234 94 D C -0.802 175.501 176.300 0.005 0.000 1.226 94 D CA -1.808 52.229 54.000 0.060 0.000 0.830 94 D CB 0.078 40.996 40.800 0.197 0.000 1.028 94 D HN 0.152 8.514 8.370 -0.013 0.000 0.492 95 G N -0.454 108.197 108.800 -0.249 0.000 2.516 95 G HA2 0.098 4.047 3.960 -0.019 0.000 0.276 95 G HA3 0.098 3.937 3.960 -0.203 0.000 0.276 95 G C -2.060 172.531 174.900 -0.515 0.000 1.390 95 G CA -1.352 43.619 45.100 -0.214 0.000 1.050 95 G HN -0.810 7.185 8.290 -0.344 0.088 0.519 96 P HA -0.236 3.560 4.420 -1.041 0.000 0.197 96 P C -1.714 175.327 177.300 -0.432 0.000 1.121 96 P CA 0.696 63.503 63.100 -0.487 0.000 1.318 96 P CB -1.765 29.938 31.700 0.006 0.000 1.634 97 F N 4.276 123.800 119.950 -0.710 0.000 2.636 97 F HA -0.235 4.156 4.527 -0.226 0.000 0.338 97 F C -0.032 175.480 175.800 -0.479 0.000 1.305 97 F CA 0.121 57.918 58.000 -0.338 0.000 1.138 97 F CB -1.814 37.104 39.000 -0.137 0.000 1.579 97 F HN -0.109 7.468 8.300 -1.134 0.043 0.679 98 T N -0.870 113.283 114.554 -0.667 0.000 2.906 98 T HA -0.211 2.095 4.350 -3.407 0.000 0.329 98 T C 0.940 175.230 174.700 -0.683 0.000 1.091 98 T CA -0.010 61.290 62.100 -1.334 0.000 1.127 98 T CB 1.499 69.970 68.868 -0.663 0.000 1.035 98 T HN -0.034 7.921 8.240 -0.412 0.037 0.547 99 I N -1.334 118.882 120.570 -0.590 0.000 3.528 99 I HA -0.040 4.101 4.170 -0.049 0.000 0.298 99 I C -1.023 175.090 176.117 -0.006 0.000 1.281 99 I CA 0.138 61.364 61.300 -0.123 0.000 1.269 99 I CB -2.299 35.724 38.000 0.038 0.000 1.013 99 I HN 0.646 8.376 8.210 -0.800 0.000 0.512 100 L N 0.275 121.466 121.223 -0.054 0.000 2.349 100 L HA 0.229 4.669 4.340 0.167 0.000 0.200 100 L C 1.442 178.387 176.870 0.125 0.000 1.064 100 L CA 1.073 55.928 54.840 0.024 0.000 0.821 100 L CB 1.263 43.219 42.059 -0.171 0.000 1.027 100 L HN -0.395 7.648 8.230 -0.129 0.110 0.476 101 Q N -0.860 118.992 119.800 0.085 0.000 2.234 101 Q HA -0.403 4.165 4.340 0.380 0.000 0.206 101 Q C 2.476 178.710 176.000 0.390 0.000 0.980 101 Q CA 3.031 59.001 55.803 0.278 0.000 0.869 101 Q CB -0.065 28.799 28.738 0.209 0.000 0.912 101 Q HN -0.618 7.632 8.270 -0.033 0.000 0.436 102 L N 0.565 121.941 121.223 0.255 0.000 2.005 102 L HA -0.204 4.275 4.340 0.232 0.000 0.207 102 L C 1.569 178.583 176.870 0.241 0.000 1.072 102 L CA 3.475 58.450 54.840 0.226 0.000 0.744 102 L CB -0.399 41.748 42.059 0.147 0.000 0.895 102 L HN 0.111 8.395 8.230 0.138 0.029 0.433 103 V N -2.641 117.409 119.914 0.227 0.000 3.078 103 V HA -0.316 3.885 4.120 0.135 0.000 0.265 103 V C 1.228 177.562 176.094 0.401 0.000 1.122 103 V CA 2.213 64.650 62.300 0.227 0.000 1.141 103 V CB -0.809 31.079 31.823 0.109 0.000 0.735 103 V HN -0.556 7.762 8.190 0.214 0.000 0.498 104 G N 0.269 109.331 108.800 0.437 0.000 2.433 104 G HA2 -0.355 3.941 3.960 0.561 0.000 0.216 104 G HA3 -0.355 4.050 3.960 0.695 -0.028 0.216 104 G C 0.573 175.763 174.900 0.483 0.000 1.186 104 G CA 2.261 47.713 45.100 0.588 0.000 0.779 104 G HN -0.401 8.009 8.290 0.383 0.109 0.543 105 Y N 3.676 124.066 120.300 0.149 0.000 2.114 105 Y HA -0.418 3.922 4.550 -0.350 0.000 0.282 105 Y C 1.571 177.480 175.900 0.014 0.000 1.165 105 Y CA 2.941 60.984 58.100 -0.096 0.000 1.148 105 Y CB -0.031 38.342 38.460 -0.144 0.000 0.972 105 Y HN -0.363 8.080 8.280 0.399 0.077 0.504 106 L N -5.371 115.595 121.223 -0.428 0.000 2.217 106 L HA -0.222 3.653 4.340 -0.775 0.000 0.211 106 L C 1.821 178.663 176.870 -0.048 0.000 1.107 106 L CA 2.390 56.991 54.840 -0.398 0.000 0.783 106 L CB -0.854 41.074 42.059 -0.218 0.000 0.919 106 L HN -0.800 7.302 8.230 -0.039 0.105 0.442 107 R N 0.796 121.386 120.500 0.151 0.000 2.096 107 R HA -0.305 4.092 4.340 0.096 0.000 0.235 107 R C 2.142 178.472 176.300 0.049 0.000 1.127 107 R CA 3.320 59.487 56.100 0.113 0.000 0.968 107 R CB -0.338 30.019 30.300 0.094 0.000 0.861 107 R HN 0.080 8.280 8.270 0.203 0.192 0.440 108 V N -0.525 119.427 119.914 0.063 0.000 2.233 108 V HA -0.473 3.711 4.120 0.106 0.000 0.247 108 V C 1.950 178.042 176.094 -0.005 0.000 1.050 108 V CA 4.011 66.342 62.300 0.051 0.000 1.010 108 V CB -0.256 31.583 31.823 0.028 0.000 0.637 108 V HN -0.455 7.750 8.190 0.059 0.020 0.444 109 V N 0.099 119.959 119.914 -0.090 0.000 2.379 109 V HA -0.380 3.725 4.120 -0.025 0.000 0.245 109 V C 1.254 177.339 176.094 -0.014 0.000 1.044 109 V CA 3.010 65.270 62.300 -0.067 0.000 1.036 109 V CB -0.390 31.353 31.823 -0.134 0.000 0.664 109 V HN -0.849 7.224 8.190 -0.196 0.000 0.453 110 D N -1.798 118.607 120.400 0.009 0.000 2.178 110 D HA -0.232 4.425 4.640 0.029 0.000 0.202 110 D C 1.691 178.056 176.300 0.108 0.000 0.974 110 D CA 3.386 57.427 54.000 0.068 0.000 0.841 110 D CB 0.406 41.306 40.800 0.168 0.000 0.953 110 D HN 0.540 8.792 8.370 -0.014 0.109 0.478 111 T N -4.265 110.348 114.554 0.098 0.000 2.978 111 T HA -0.185 4.296 4.350 0.218 0.000 0.262 111 T C 1.706 176.472 174.700 0.110 0.000 1.063 111 T CA 2.761 64.935 62.100 0.124 0.000 1.140 111 T CB 0.124 69.023 68.868 0.051 0.000 0.886 111 T HN -0.537 7.738 8.240 0.059 0.000 0.470 112 D N 3.237 123.683 120.400 0.077 0.000 2.263 112 D HA -0.184 4.504 4.640 0.081 0.000 0.208 112 D C 1.603 177.953 176.300 0.084 0.000 0.971 112 D CA 2.489 56.534 54.000 0.074 0.000 0.867 112 D CB -0.364 40.468 40.800 0.053 0.000 0.929 112 D HN -0.552 7.854 8.370 0.059 0.000 0.492 113 L N 0.253 121.519 121.223 0.072 0.000 2.261 113 L HA -0.231 4.138 4.340 0.048 0.000 0.216 113 L C 0.671 177.642 176.870 0.168 0.000 1.114 113 L CA 2.501 57.375 54.840 0.057 0.000 0.777 113 L CB -0.097 41.947 42.059 -0.026 0.000 0.910 113 L HN -0.433 7.802 8.230 0.059 0.031 0.440 114 L N -4.035 117.308 121.223 0.200 0.000 2.610 114 L HA -0.000 4.579 4.340 0.399 0.000 0.232 114 L C 0.888 177.866 176.870 0.180 0.000 1.149 114 L CA 0.887 55.883 54.840 0.259 0.000 0.872 114 L CB -2.312 39.891 42.059 0.240 0.000 0.992 114 L HN -0.465 7.820 8.230 0.161 0.042 0.447 115 L N -2.306 119.011 121.223 0.157 0.000 2.865 115 L HA 0.160 4.544 4.340 0.073 0.000 0.167 115 L C -1.536 175.397 176.870 0.105 0.000 1.135 115 L CA 0.787 55.688 54.840 0.101 0.000 0.895 115 L CB 2.814 44.918 42.059 0.074 0.000 1.643 115 L HN -0.154 7.992 8.230 0.164 0.182 0.518 116 K N -2.041 118.415 120.400 0.094 0.000 2.583 116 K HA 0.201 4.578 4.320 0.096 0.000 0.260 116 K C -2.653 173.983 176.600 0.061 0.000 0.931 116 K CA -0.451 55.884 56.287 0.079 0.000 0.849 116 K CB 1.954 34.490 32.500 0.060 0.000 1.347 116 K HN -0.312 7.992 8.250 0.090 0.000 0.425 117 V N 0.997 120.940 119.914 0.049 0.000 2.294 117 V HA 0.368 4.697 4.120 0.036 -0.187 0.272 117 V C -0.451 175.662 176.094 0.032 0.000 1.027 117 V CA -2.517 59.803 62.300 0.034 0.000 0.823 117 V CB 0.371 32.205 31.823 0.018 0.000 1.030 117 V HN -0.060 8.161 8.190 0.051 0.000 0.457 118 D N 7.043 127.464 120.400 0.036 0.000 2.346 118 D HA 0.067 4.727 4.640 0.032 0.000 0.260 118 D C 0.591 176.912 176.300 0.036 0.000 1.252 118 D CA 0.715 54.736 54.000 0.035 0.000 0.895 118 D CB 0.454 41.276 40.800 0.036 0.000 1.097 118 D HN 0.219 8.613 8.370 0.039 0.000 0.489 119 S N 4.653 120.372 115.700 0.031 0.000 2.368 119 S HA -0.344 4.146 4.470 0.033 0.000 0.225 119 S C 1.772 176.394 174.600 0.036 0.000 1.030 119 S CA 3.015 61.234 58.200 0.031 0.000 0.999 119 S CB -0.281 62.933 63.200 0.024 0.000 0.844 119 S HN 0.546 8.873 8.310 0.028 0.000 0.459 120 T N 0.368 114.941 114.554 0.032 0.000 2.777 120 T HA -0.173 4.193 4.350 0.027 0.000 0.266 120 T C 2.066 176.788 174.700 0.037 0.000 1.040 120 T CA 2.986 65.103 62.100 0.030 0.000 1.141 120 T CB -0.402 68.481 68.868 0.025 0.000 0.868 120 T HN 0.062 8.320 8.240 0.029 0.000 0.444 121 K N 1.084 121.510 120.400 0.043 0.000 2.103 121 K HA -0.154 4.193 4.320 0.045 0.000 0.204 121 K C 2.359 179.005 176.600 0.077 0.000 1.052 121 K CA 2.839 59.157 56.287 0.052 0.000 0.945 121 K CB -0.207 32.322 32.500 0.049 0.000 0.722 121 K HN -0.320 7.954 8.250 0.040 0.000 0.443 122 V N -0.400 119.568 119.914 0.090 0.000 2.407 122 V HA -0.483 3.775 4.120 0.230 0.000 0.248 122 V C 1.508 177.702 176.094 0.165 0.000 1.055 122 V CA 5.059 67.452 62.300 0.156 0.000 1.049 122 V CB -0.154 31.731 31.823 0.104 0.000 0.662 122 V HN -0.277 7.954 8.190 0.069 0.000 0.455 123 D N 0.308 120.760 120.400 0.088 0.000 2.097 123 D HA -0.332 4.342 4.640 0.057 0.000 0.197 123 D C 1.794 178.100 176.300 0.010 0.000 0.984 123 D CA 3.785 57.814 54.000 0.048 0.000 0.826 123 D CB 0.197 41.015 40.800 0.031 0.000 0.973 123 D HN -0.034 8.378 8.370 0.070 0.000 0.460 124 E N -0.166 120.045 120.200 0.018 0.000 2.085 124 E HA -0.327 4.019 4.350 -0.007 0.000 0.194 124 E C 2.228 178.815 176.600 -0.022 0.000 0.994 124 E CA 2.688 59.090 56.400 0.002 0.000 0.801 124 E CB -0.252 29.459 29.700 0.018 0.000 0.743 124 E HN -0.006 8.373 8.360 0.031 0.000 0.453 125 A N -1.830 120.986 122.820 -0.007 0.000 1.898 125 A HA -0.241 4.054 4.320 -0.041 0.000 0.216 125 A C 2.075 179.436 177.584 -0.371 0.000 1.181 125 A CA 2.898 54.898 52.037 -0.062 0.000 0.620 125 A CB -0.476 18.578 19.000 0.090 0.000 0.819 125 A HN 0.038 8.214 8.150 0.043 0.000 0.442 126 G N -2.057 106.468 108.800 -0.459 0.000 2.422 126 G HA2 -0.379 2.536 3.960 -1.742 0.000 0.218 126 G HA3 -0.379 3.337 3.960 -0.406 0.000 0.218 126 G C 1.112 175.759 174.900 -0.422 0.000 1.146 126 G CA 1.730 46.359 45.100 -0.785 0.000 0.769 126 G HN 0.352 8.465 8.290 -0.114 0.109 0.547 127 K N 0.961 121.234 120.400 -0.211 0.000 2.152 127 K HA -0.258 3.992 4.320 -0.116 0.000 0.206 127 K C 1.996 178.530 176.600 -0.110 0.000 1.048 127 K CA 2.372 58.585 56.287 -0.124 0.000 0.933 127 K CB -0.544 31.921 32.500 -0.059 0.000 0.721 127 K HN 0.357 8.409 8.250 -0.149 0.109 0.447 128 K N -1.694 118.638 120.400 -0.113 0.000 2.057 128 K HA -0.224 4.139 4.320 0.072 0.000 0.206 128 K C 2.301 178.886 176.600 -0.024 0.000 1.050 128 K CA 2.357 58.654 56.287 0.017 0.000 0.935 128 K CB -0.669 31.910 32.500 0.131 0.000 0.715 128 K HN -0.543 7.457 8.250 -0.168 0.149 0.439 129 V N 0.876 120.502 119.914 -0.480 0.000 2.287 129 V HA -0.561 2.753 4.120 -1.343 0.000 0.248 129 V C 1.850 177.774 176.094 -0.284 0.000 1.053 129 V CA 4.802 66.610 62.300 -0.819 0.000 1.027 129 V CB -0.085 31.117 31.823 -1.035 0.000 0.646 129 V HN -0.522 7.254 8.190 -0.564 0.075 0.447 130 K N -0.949 119.321 120.400 -0.216 0.000 2.097 130 K HA -0.304 3.953 4.320 -0.105 0.000 0.205 130 K C 1.422 177.989 176.600 -0.054 0.000 1.050 130 K CA 2.091 58.310 56.287 -0.113 0.000 0.938 130 K CB -0.612 31.827 32.500 -0.103 0.000 0.718 130 K HN 0.130 8.209 8.250 -0.284 0.000 0.442 131 A N -0.537 122.274 122.820 -0.015 0.000 1.933 131 A HA -0.236 4.086 4.320 0.003 0.000 0.218 131 A C 1.847 179.483 177.584 0.086 0.000 1.175 131 A CA 2.928 54.985 52.037 0.033 0.000 0.628 131 A CB -1.027 18.007 19.000 0.056 0.000 0.814 131 A HN 0.239 8.257 8.150 -0.037 0.109 0.444 132 Y N 0.183 120.537 120.300 0.090 0.000 2.145 132 Y HA -0.376 4.266 4.550 0.152 0.000 0.286 132 Y C 1.768 177.729 175.900 0.101 0.000 1.145 132 Y CA 3.041 61.240 58.100 0.165 0.000 1.148 132 Y CB -0.199 38.497 38.460 0.393 0.000 0.981 132 Y HN -0.279 8.088 8.280 0.273 0.077 0.507 133 L N -2.171 118.844 121.223 -0.346 0.000 2.046 133 L HA -0.556 3.413 4.340 -0.617 0.000 0.208 133 L C 2.517 179.235 176.870 -0.255 0.000 1.077 133 L CA 2.869 57.486 54.840 -0.373 0.000 0.747 133 L CB -0.549 41.416 42.059 -0.156 0.000 0.896 133 L HN -0.524 7.657 8.230 -0.080 0.000 0.432 134 E N -1.588 118.523 120.200 -0.149 0.000 2.051 134 E HA -0.325 4.046 4.350 -0.092 -0.077 0.192 134 E C 2.585 179.127 176.600 -0.097 0.000 0.991 134 E CA 2.975 59.316 56.400 -0.098 0.000 0.799 134 E CB -0.529 29.138 29.700 -0.054 0.000 0.748 134 E HN 0.076 8.369 8.360 -0.112 0.000 0.449 135 K N -0.515 119.831 120.400 -0.090 0.000 2.103 135 K HA -0.237 4.067 4.320 -0.026 0.000 0.207 135 K C 1.796 178.345 176.600 -0.084 0.000 1.048 135 K CA 2.737 58.996 56.287 -0.048 0.000 0.930 135 K CB 0.046 32.566 32.500 0.033 0.000 0.716 135 K HN -0.215 7.795 8.250 -0.092 0.184 0.444 136 I N -4.031 116.418 120.570 -0.201 0.000 3.728 136 I HA 0.021 4.129 4.170 -0.103 0.000 0.307 136 I C -0.594 175.430 176.117 -0.156 0.000 1.276 136 I CA -0.368 60.815 61.300 -0.196 0.000 1.285 136 I CB 0.810 38.600 38.000 -0.351 0.000 1.038 136 I HN -0.322 7.684 8.210 -0.328 0.007 0.445 137 G N -0.645 108.072 108.800 -0.139 0.000 4.275 137 G HA2 -0.070 3.844 3.960 -0.077 0.000 0.226 137 G HA3 -0.070 3.826 3.960 -0.107 0.000 0.226 137 G C -1.126 173.723 174.900 -0.084 0.000 1.391 137 G CA -0.002 45.038 45.100 -0.101 0.000 1.225 137 G HN -0.675 7.344 8.290 -0.147 0.183 0.627 138 I N -0.036 120.488 120.570 -0.077 0.000 2.741 138 I HA -0.560 3.768 4.170 -0.060 -0.194 0.133 138 I C -0.560 175.528 176.117 -0.049 0.000 0.884 138 I CA 1.467 62.733 61.300 -0.057 0.000 2.774 138 I CB -1.203 36.772 38.000 -0.041 0.000 0.560 138 I HN -0.200 7.892 8.210 -0.079 0.070 0.352 139 R N 7.224 127.695 120.500 -0.048 0.000 2.807 139 R HA 0.415 4.735 4.340 -0.033 0.000 0.276 139 R C 0.527 176.809 176.300 -0.030 0.000 0.979 139 R CA -1.980 54.097 56.100 -0.038 0.000 0.928 139 R CB 2.197 32.472 30.300 -0.041 0.000 1.191 139 R HN 0.364 8.992 8.270 -0.053 -0.390 0.471 140 G N 0.884 109.670 108.800 -0.023 0.000 2.511 140 G HA2 -0.265 3.684 3.960 -0.018 0.000 0.217 140 G HA3 -0.265 3.686 3.960 -0.015 0.000 0.217 140 G C -0.613 174.278 174.900 -0.016 0.000 1.133 140 G CA 0.447 45.536 45.100 -0.018 0.000 0.792 140 G HN 0.542 8.819 8.290 -0.021 0.000 0.539 141 D N 0.525 120.916 120.400 -0.016 0.000 2.278 141 D HA -0.044 4.590 4.640 -0.010 0.000 0.240 141 D C -0.894 175.396 176.300 -0.016 0.000 1.347 141 D CA -0.802 53.190 54.000 -0.013 0.000 0.945 141 D CB 0.840 41.633 40.800 -0.010 0.000 1.175 141 D HN -0.385 7.932 8.370 -0.018 0.043 0.519 142 S N -4.282 111.410 115.700 -0.013 0.000 2.661 142 S HA 0.206 4.664 4.470 -0.020 0.000 0.285 142 S C 0.914 175.508 174.600 -0.010 0.000 1.138 142 S CA -1.855 56.337 58.200 -0.013 0.000 0.855 142 S CB 3.566 66.761 63.200 -0.007 0.000 1.136 142 S HN -0.466 7.839 8.310 -0.008 0.000 0.484 143 V N 1.342 121.249 119.914 -0.011 0.000 2.469 143 V HA -0.348 3.771 4.120 -0.001 0.000 0.251 143 V C 1.541 177.661 176.094 0.043 0.000 1.064 143 V CA 3.631 65.938 62.300 0.010 0.000 1.066 143 V CB -0.655 31.172 31.823 0.007 0.000 0.667 143 V HN 0.676 8.855 8.190 -0.020 0.000 0.461 144 E N -0.330 119.886 120.200 0.026 0.000 2.072 144 E HA -0.299 4.069 4.350 0.030 0.000 0.190 144 E C 2.073 178.679 176.600 0.011 0.000 0.982 144 E CA 2.883 59.295 56.400 0.021 0.000 0.803 144 E CB -0.331 29.375 29.700 0.010 0.000 0.755 144 E HN -0.672 7.646 8.360 0.013 0.050 0.453 145 A N -0.816 122.008 122.820 0.006 0.000 1.898 145 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 145 A C 1.941 179.530 177.584 0.008 0.000 1.181 145 A CA 2.869 54.908 52.037 0.003 0.000 0.620 145 A CB -0.710 18.290 19.000 -0.000 0.000 0.819 145 A HN -0.210 7.943 8.150 0.005 0.000 0.442 146 A N -1.228 121.600 122.820 0.014 0.000 1.930 146 A HA -0.271 4.062 4.320 0.021 0.000 0.217 146 A C 1.796 179.399 177.584 0.032 0.000 1.175 146 A CA 3.170 55.221 52.037 0.022 0.000 0.627 146 A CB -0.251 18.759 19.000 0.017 0.000 0.815 146 A HN 0.220 8.377 8.150 0.012 0.000 0.443 147 L N -4.027 117.221 121.223 0.042 0.000 2.093 147 L HA -0.290 4.080 4.340 0.050 0.000 0.208 147 L C 1.641 178.504 176.870 -0.011 0.000 1.085 147 L CA 3.250 58.111 54.840 0.036 0.000 0.755 147 L CB -0.710 41.382 42.059 0.056 0.000 0.904 147 L HN -0.189 8.070 8.230 0.047 0.000 0.435 148 D N -0.710 119.681 120.400 -0.015 0.000 2.103 148 D HA -0.334 4.272 4.640 -0.056 0.000 0.199 148 D C 1.551 177.833 176.300 -0.030 0.000 0.978 148 D CA 3.756 57.735 54.000 -0.035 0.000 0.829 148 D CB 0.418 41.200 40.800 -0.028 0.000 0.981 148 D HN -0.679 7.690 8.370 -0.003 0.000 0.464 149 N N -0.093 118.602 118.700 -0.009 0.000 2.120 149 N HA -0.246 4.494 4.740 0.001 0.000 0.188 149 N C 2.246 177.762 175.510 0.010 0.000 1.024 149 N CA 3.105 56.157 53.050 0.003 0.000 0.852 149 N CB 0.618 39.113 38.487 0.013 0.000 1.003 149 N HN -0.408 7.971 8.380 -0.003 0.000 0.424 150 L N 0.107 121.338 121.223 0.012 0.000 2.093 150 L HA -0.227 4.138 4.340 0.041 0.000 0.208 150 L C 1.664 178.526 176.870 -0.013 0.000 1.085 150 L CA 3.180 58.034 54.840 0.023 0.000 0.755 150 L CB -0.660 41.427 42.059 0.046 0.000 0.904 150 L HN 0.240 8.478 8.230 0.013 0.000 0.435 151 M N -1.815 117.744 119.600 -0.069 0.000 2.086 151 M HA -0.431 3.925 4.480 -0.206 0.000 0.261 151 M C 2.329 178.581 176.300 -0.080 0.000 1.067 151 M CA 4.688 59.897 55.300 -0.152 0.000 1.116 151 M CB 0.224 32.694 32.600 -0.218 0.000 1.348 151 M HN -0.740 7.512 8.290 -0.062 0.000 0.407 152 I N -4.116 116.430 120.570 -0.040 0.000 2.546 152 I HA -0.138 4.182 4.170 0.037 -0.128 0.255 152 I C 1.687 177.875 176.117 0.119 0.000 1.163 152 I CA 2.865 64.187 61.300 0.037 0.000 1.457 152 I CB -0.313 37.694 38.000 0.011 0.000 1.092 152 I HN -0.462 7.717 8.210 -0.051 0.000 0.434 153 K N 1.062 121.503 120.400 0.068 0.000 2.057 153 K HA -0.207 4.157 4.320 0.074 0.000 0.206 153 K C 2.221 178.867 176.600 0.078 0.000 1.050 153 K CA 2.470 58.799 56.287 0.071 0.000 0.935 153 K CB -0.552 31.983 32.500 0.058 0.000 0.715 153 K HN 0.101 8.197 8.250 0.038 0.176 0.439 154 V N 0.165 120.124 119.914 0.075 0.000 2.358 154 V HA -0.520 3.646 4.120 0.077 0.000 0.246 154 V C 1.435 177.591 176.094 0.103 0.000 1.047 154 V CA 4.579 66.927 62.300 0.081 0.000 1.035 154 V CB -0.018 31.848 31.823 0.072 0.000 0.658 154 V HN -0.158 8.064 8.190 0.053 0.000 0.452 155 Y N 0.244 120.523 120.300 -0.035 0.000 2.181 155 Y HA -0.568 3.967 4.550 -0.025 0.000 0.288 155 Y C 1.293 177.187 175.900 -0.011 0.000 1.146 155 Y CA 3.759 61.841 58.100 -0.030 0.000 1.164 155 Y CB 0.012 38.442 38.460 -0.050 0.000 0.982 155 Y HN -0.204 8.189 8.280 0.188 0.000 0.515 156 E N 0.325 120.537 120.200 0.020 0.000 2.077 156 E HA -0.393 3.821 4.350 -0.226 0.000 0.193 156 E C 2.336 178.884 176.600 -0.087 0.000 0.989 156 E CA 2.752 59.103 56.400 -0.080 0.000 0.800 156 E CB -0.123 29.598 29.700 0.036 0.000 0.746 156 E HN 0.108 8.474 8.360 0.193 0.110 0.452 157 I N -1.055 119.499 120.570 -0.026 0.000 2.226 157 I HA -0.457 3.704 4.170 -0.014 0.000 0.245 157 I C 1.696 177.789 176.117 -0.040 0.000 1.100 157 I CA 3.520 64.812 61.300 -0.014 0.000 1.374 157 I CB 0.022 38.037 38.000 0.025 0.000 1.057 157 I HN 0.076 8.293 8.210 0.013 0.000 0.413 158 T N -1.445 113.073 114.554 -0.060 0.000 2.821 158 T HA -0.243 4.090 4.350 -0.029 0.000 0.267 158 T C 1.736 176.358 174.700 -0.131 0.000 1.046 158 T CA 2.836 64.893 62.100 -0.071 0.000 1.139 158 T CB 0.093 68.931 68.868 -0.048 0.000 0.871 158 T HN -0.020 8.132 8.240 -0.040 0.064 0.454 159 K N -1.282 118.976 120.400 -0.236 0.000 2.155 159 K HA -0.085 4.119 4.320 -0.192 0.000 0.203 159 K C 1.394 177.918 176.600 -0.126 0.000 1.052 159 K CA -0.070 56.080 56.287 -0.228 0.000 0.948 159 K CB 0.248 32.533 32.500 -0.359 0.000 0.728 159 K HN -0.092 7.895 8.250 -0.308 0.079 0.448 160 G N 1.029 109.771 108.800 -0.097 0.000 2.305 160 G HA2 -0.384 3.551 3.960 -0.042 0.000 0.287 160 G HA3 -0.384 3.550 3.960 -0.043 0.000 0.287 160 G C -0.014 174.857 174.900 -0.047 0.000 1.036 160 G CA 0.729 45.796 45.100 -0.054 0.000 0.887 160 G HN -0.051 8.090 8.290 -0.113 0.081 0.505 161 T N 0.173 114.692 114.554 -0.057 0.000 2.946 161 T HA -0.311 4.012 4.350 -0.045 0.000 0.312 161 T C 0.545 175.231 174.700 -0.023 0.000 1.066 161 T CA 1.111 63.185 62.100 -0.042 0.000 1.138 161 T CB 0.558 69.401 68.868 -0.042 0.000 1.014 161 T HN -0.641 7.535 8.240 -0.079 0.017 0.544 162 V N 4.140 124.043 119.914 -0.017 0.000 2.530 162 V HA -0.024 4.090 4.120 -0.010 0.000 0.282 162 V C -0.426 175.665 176.094 -0.006 0.000 1.048 162 V CA 0.769 63.063 62.300 -0.010 0.000 0.997 162 V CB -0.069 31.749 31.823 -0.009 0.000 0.987 162 V HN 0.141 8.319 8.190 -0.019 0.000 0.477 163 E N 5.171 125.369 120.200 -0.003 0.000 2.416 163 E HA 0.232 4.582 4.350 -0.000 0.000 0.273 163 E C -1.190 175.410 176.600 0.000 0.000 0.935 163 E CA -1.093 55.307 56.400 -0.001 0.000 0.784 163 E CB 2.151 31.852 29.700 0.001 0.000 1.301 163 E HN 0.094 8.452 8.360 -0.004 0.000 0.454 164 S N 0.382 116.083 115.700 0.001 0.000 2.576 164 S HA 0.018 4.489 4.470 0.001 0.000 0.272 164 S C 0.192 174.793 174.600 0.002 0.000 1.352 164 S CA -0.153 58.047 58.200 0.001 0.000 1.021 164 S CB 0.575 63.776 63.200 0.002 0.000 0.887 164 S HN -0.165 8.146 8.310 0.002 0.000 0.542 165 S N 1.609 117.310 115.700 0.001 0.000 2.560 165 S HA -0.117 4.354 4.470 0.002 0.000 0.284 165 S C -1.496 173.105 174.600 0.002 0.000 1.327 165 S CA 0.729 58.930 58.200 0.002 0.000 1.055 165 S CB 0.202 63.403 63.200 0.001 0.000 0.868 165 S HN 0.134 8.445 8.310 0.001 0.000 0.506 166 A N 5.032 127.854 122.820 0.002 0.000 2.602 166 A HA 0.187 4.508 4.320 0.002 0.000 0.290 166 A C -1.880 175.706 177.584 0.003 0.000 1.114 166 A CA -0.185 51.853 52.037 0.003 0.000 0.683 166 A CB 1.366 20.368 19.000 0.003 0.000 1.281 166 A HN 0.070 8.221 8.150 0.002 0.000 0.416 167 Q N -0.964 118.837 119.800 0.002 0.000 2.456 167 Q HA 0.748 5.090 4.340 0.003 0.000 0.284 167 Q C -0.593 175.408 176.000 0.002 0.000 1.061 167 Q CA -0.345 55.459 55.803 0.002 0.000 0.799 167 Q CB 2.905 31.644 28.738 0.002 0.000 1.445 167 Q HN 1.245 9.516 8.270 0.002 0.000 0.411 168 G N 0.355 109.157 108.800 0.002 0.000 2.328 168 G HA2 0.440 4.400 3.960 0.000 0.000 0.295 168 G HA3 0.440 4.401 3.960 0.001 0.000 0.295 168 G C -1.882 173.018 174.900 0.001 0.000 1.413 168 G CA -0.197 44.903 45.100 0.001 0.000 0.817 168 G HN 0.516 8.808 8.290 0.002 0.000 0.546 169 T N -1.180 113.373 114.554 -0.001 0.000 2.762 169 T HA 0.568 4.918 4.350 -0.001 0.000 0.301 169 T C -2.105 172.593 174.700 -0.005 0.000 1.299 169 T CA -0.214 61.885 62.100 -0.002 0.000 1.005 169 T CB 2.152 71.019 68.868 -0.002 0.000 1.377 169 T HN 0.149 8.388 8.240 -0.002 0.000 0.504 170 D N 0.476 120.872 120.400 -0.006 0.000 2.583 170 D HA 0.210 4.843 4.640 -0.012 0.000 0.248 170 D C -1.853 174.440 176.300 -0.012 0.000 1.209 170 D CA -0.369 53.625 54.000 -0.011 0.000 0.848 170 D CB 2.173 42.966 40.800 -0.013 0.000 1.431 170 D HN -0.066 8.300 8.370 -0.005 0.000 0.436 171 S N 0.273 115.963 115.700 -0.016 0.000 2.558 171 S HA -0.078 4.384 4.470 -0.013 0.000 0.288 171 S C 1.212 175.803 174.600 -0.016 0.000 1.318 171 S CA -0.338 57.853 58.200 -0.016 0.000 1.056 171 S CB 1.242 64.430 63.200 -0.020 0.000 0.853 171 S HN -0.069 8.229 8.310 -0.019 0.000 0.505 172 E N 7.364 127.556 120.200 -0.012 0.000 2.118 172 E HA -0.353 3.992 4.350 -0.008 0.000 0.195 172 E C 1.745 178.337 176.600 -0.013 0.000 0.992 172 E CA 3.053 59.447 56.400 -0.010 0.000 0.804 172 E CB 0.148 29.844 29.700 -0.006 0.000 0.741 172 E HN 0.743 9.096 8.360 -0.010 0.000 0.458 173 E N -1.129 119.061 120.200 -0.016 0.000 2.047 173 E HA -0.282 4.058 4.350 -0.016 0.000 0.191 173 E C 2.169 178.747 176.600 -0.036 0.000 0.987 173 E CA 2.729 59.116 56.400 -0.021 0.000 0.799 173 E CB -0.353 29.336 29.700 -0.018 0.000 0.752 173 E HN -0.496 7.841 8.360 -0.016 0.013 0.449 174 L N -0.229 120.969 121.223 -0.042 0.000 2.046 174 L HA -0.408 3.882 4.340 -0.084 0.000 0.208 174 L C 1.503 178.337 176.870 -0.060 0.000 1.077 174 L CA 2.873 57.676 54.840 -0.062 0.000 0.747 174 L CB -0.287 41.741 42.059 -0.053 0.000 0.896 174 L HN -0.241 7.968 8.230 -0.035 0.000 0.432 175 K N -1.035 119.345 120.400 -0.035 0.000 2.026 175 K HA -0.379 3.929 4.320 -0.019 0.000 0.208 175 K C 2.004 178.594 176.600 -0.017 0.000 1.048 175 K CA 3.798 60.072 56.287 -0.020 0.000 0.929 175 K CB 0.038 32.532 32.500 -0.009 0.000 0.713 175 K HN 0.368 8.602 8.250 -0.028 0.000 0.439 176 T N 3.033 117.577 114.554 -0.017 0.000 2.720 176 T HA -0.392 3.961 4.350 0.005 0.000 0.268 176 T C 1.913 176.604 174.700 -0.015 0.000 1.037 176 T CA 4.574 66.670 62.100 -0.007 0.000 1.144 176 T CB -0.035 68.831 68.868 -0.004 0.000 0.864 176 T HN -0.022 8.099 8.240 -0.017 0.108 0.444 177 L N 1.670 122.858 121.223 -0.059 0.000 2.093 177 L HA -0.209 4.088 4.340 -0.072 0.000 0.208 177 L C 0.938 177.698 176.870 -0.184 0.000 1.085 177 L CA 3.084 57.843 54.840 -0.134 0.000 0.755 177 L CB -0.406 41.529 42.059 -0.207 0.000 0.904 177 L HN 0.295 8.383 8.230 -0.061 0.106 0.435 178 L N -1.513 119.638 121.223 -0.119 0.000 2.093 178 L HA -0.388 3.949 4.340 -0.006 0.000 0.208 178 L C 2.336 179.267 176.870 0.102 0.000 1.085 178 L CA 3.186 58.023 54.840 -0.006 0.000 0.755 178 L CB -0.569 41.494 42.059 0.006 0.000 0.904 178 L HN -0.209 7.882 8.230 -0.098 0.079 0.435 179 L N -0.635 120.626 121.223 0.064 0.000 2.056 179 L HA -0.353 4.037 4.340 0.083 0.000 0.207 179 L C 1.632 178.568 176.870 0.111 0.000 1.078 179 L CA 3.468 58.354 54.840 0.077 0.000 0.749 179 L CB -0.553 41.533 42.059 0.045 0.000 0.901 179 L HN 0.310 8.556 8.230 0.028 0.000 0.433 180 K N -0.489 119.984 120.400 0.121 0.000 2.063 180 K HA -0.332 4.060 4.320 0.121 0.000 0.208 180 K C 2.687 179.462 176.600 0.291 0.000 1.048 180 K CA 2.990 59.378 56.287 0.169 0.000 0.928 180 K CB -0.721 31.869 32.500 0.150 0.000 0.713 180 K HN 0.030 8.329 8.250 0.081 0.000 0.442 181 F N -0.819 119.159 119.950 0.048 0.000 2.134 181 F HA -0.291 4.267 4.527 0.052 0.000 0.299 181 F C 2.109 177.937 175.800 0.047 0.000 1.097 181 F CA 1.864 59.898 58.000 0.057 0.000 1.264 181 F CB -1.001 38.050 39.000 0.085 0.000 1.001 181 F HN 0.457 8.931 8.300 0.469 0.108 0.479 182 S N -0.826 115.007 115.700 0.222 0.000 2.383 182 S HA -0.360 4.175 4.470 0.109 0.000 0.227 182 S C 2.059 176.705 174.600 0.077 0.000 1.026 182 S CA 3.232 61.505 58.200 0.122 0.000 0.981 182 S CB -0.353 62.911 63.200 0.106 0.000 0.818 182 S HN 0.154 8.520 8.310 0.244 0.090 0.472 183 E N 1.475 121.723 120.200 0.080 0.000 2.106 183 E HA -0.341 4.033 4.350 0.039 0.000 0.192 183 E C 1.773 178.391 176.600 0.029 0.000 0.984 183 E CA 3.041 59.472 56.400 0.051 0.000 0.806 183 E CB -0.065 29.667 29.700 0.054 0.000 0.750 183 E HN 0.109 8.425 8.360 0.109 0.108 0.458 184 D N 0.534 120.951 120.400 0.029 0.000 2.097 184 D HA -0.273 4.356 4.640 -0.018 0.000 0.195 184 D C 1.957 178.229 176.300 -0.046 0.000 0.989 184 D CA 3.404 57.393 54.000 -0.018 0.000 0.827 184 D CB 0.076 40.850 40.800 -0.044 0.000 0.966 184 D HN -0.199 8.209 8.370 0.064 0.000 0.456 185 L N -0.437 120.763 121.223 -0.038 0.000 2.046 185 L HA -0.323 3.954 4.340 -0.106 0.000 0.208 185 L C 1.604 178.459 176.870 -0.025 0.000 1.077 185 L CA 3.290 58.100 54.840 -0.049 0.000 0.747 185 L CB -0.163 41.891 42.059 -0.008 0.000 0.896 185 L HN -0.556 7.661 8.230 -0.022 0.000 0.432 186 K N -0.484 119.918 120.400 0.003 0.000 2.057 186 K HA -0.362 3.969 4.320 0.018 0.000 0.207 186 K C 1.882 178.484 176.600 0.004 0.000 1.049 186 K CA 2.475 58.769 56.287 0.012 0.000 0.931 186 K CB -0.685 31.827 32.500 0.020 0.000 0.714 186 K HN 0.067 8.324 8.250 0.013 0.000 0.440 187 A N -1.399 121.419 122.820 -0.004 0.000 1.933 187 A HA -0.203 4.116 4.320 -0.003 0.000 0.218 187 A C 2.656 180.237 177.584 -0.006 0.000 1.175 187 A CA 3.231 55.263 52.037 -0.007 0.000 0.628 187 A CB -0.957 18.035 19.000 -0.012 0.000 0.814 187 A HN 0.338 8.374 8.150 -0.002 0.113 0.444 188 E N -1.908 118.281 120.200 -0.018 0.000 2.072 188 E HA -0.261 4.123 4.350 0.058 0.000 0.190 188 E C 2.786 179.453 176.600 0.112 0.000 0.982 188 E CA 2.585 58.997 56.400 0.019 0.000 0.803 188 E CB -0.266 29.369 29.700 -0.108 0.000 0.755 188 E HN -0.413 7.922 8.360 -0.042 0.000 0.453 189 Q N 0.771 120.589 119.800 0.030 0.000 2.167 189 Q HA -0.241 4.161 4.340 0.103 0.000 0.202 189 Q C 1.993 178.044 176.000 0.084 0.000 0.970 189 Q CA 2.603 58.447 55.803 0.069 0.000 0.855 189 Q CB -0.158 28.608 28.738 0.047 0.000 0.911 189 Q HN 0.199 8.455 8.270 -0.022 0.000 0.438 190 E N 0.389 120.616 120.200 0.044 0.000 2.110 190 E HA -0.326 4.037 4.350 0.022 0.000 0.193 190 E C 2.029 178.629 176.600 -0.000 0.000 0.988 190 E CA 3.115 59.528 56.400 0.020 0.000 0.804 190 E CB -0.081 29.623 29.700 0.007 0.000 0.745 190 E HN 0.280 8.545 8.360 0.030 0.113 0.458 191 L N -1.957 119.259 121.223 -0.011 0.000 2.083 191 L HA -0.337 3.945 4.340 -0.097 0.000 0.209 191 L C 1.584 178.327 176.870 -0.211 0.000 1.083 191 L CA 2.745 57.524 54.840 -0.102 0.000 0.752 191 L CB -0.070 41.920 42.059 -0.115 0.000 0.899 191 L HN -0.805 7.436 8.230 0.017 0.000 0.433 192 H N -4.457 114.586 119.070 -0.044 0.000 2.448 192 H HA 0.007 4.539 4.556 -0.040 0.000 0.292 192 H C 1.149 176.467 175.328 -0.018 0.000 1.035 192 H CA 2.720 58.747 56.048 -0.033 0.000 1.349 192 H CB 1.102 30.846 29.762 -0.029 0.000 1.425 192 H HN -0.395 7.871 8.280 0.141 0.098 0.539 193 S N -5.375 110.367 115.700 0.070 0.000 3.073 193 S HA 0.144 4.631 4.470 0.029 0.000 0.252 193 S C -0.319 174.293 174.600 0.019 0.000 0.953 193 S CA 0.206 58.432 58.200 0.044 0.000 1.105 193 S CB 0.241 63.479 63.200 0.064 0.000 1.070 193 S HN 0.090 8.346 8.310 0.085 0.105 0.574 194 E N 2.230 122.431 120.200 0.003 0.000 2.661 194 E HA 0.057 4.406 4.350 -0.001 0.000 0.202 194 E C -0.578 176.012 176.600 -0.017 0.000 0.911 194 E CA 0.816 57.214 56.400 -0.004 0.000 1.581 194 E CB 1.798 31.498 29.700 0.001 0.000 1.667 194 E HN -0.217 8.140 8.360 -0.006 0.000 0.911 195 A N 1.464 124.266 122.820 -0.030 0.000 3.046 195 A HA -0.019 4.282 4.320 -0.031 0.000 0.259 195 A C -0.467 177.091 177.584 -0.043 0.000 1.843 195 A CA -0.105 51.908 52.037 -0.040 0.000 1.451 195 A CB -1.699 17.267 19.000 -0.055 0.000 1.025 195 A HN -0.325 7.806 8.150 -0.032 0.000 0.625 196 K N -1.100 119.281 120.400 -0.031 0.000 3.653 196 K HA -0.324 3.982 4.320 -0.022 0.000 0.275 196 K C -0.511 176.069 176.600 -0.035 0.000 0.962 196 K CA 0.556 56.826 56.287 -0.029 0.000 0.773 196 K CB -2.533 29.950 32.500 -0.028 0.000 1.463 196 K HN 0.049 8.216 8.250 -0.024 0.069 0.450 197 G N -2.886 105.896 108.800 -0.031 0.000 4.225 197 G HA2 0.002 3.944 3.960 -0.031 0.000 0.177 197 G HA3 0.002 3.932 3.960 -0.050 0.000 0.177 197 G C 0.646 175.536 174.900 -0.017 0.000 0.949 197 G CA 0.708 45.788 45.100 -0.033 0.000 0.796 197 G HN 0.002 8.278 8.290 -0.023 0.000 0.504 198 G N 2.304 111.100 108.800 -0.007 0.000 2.450 198 G HA2 -0.400 3.569 3.960 0.016 0.000 0.220 198 G HA3 -0.400 3.565 3.960 0.008 0.000 0.220 198 G C 0.771 175.674 174.900 0.005 0.000 1.130 198 G CA 1.681 46.785 45.100 0.006 0.000 0.760 198 G HN 0.270 8.555 8.290 -0.009 0.000 0.557 199 E N 1.844 122.043 120.200 -0.001 0.000 2.265 199 E HA -0.229 4.122 4.350 0.002 0.000 0.196 199 E C 1.798 178.397 176.600 -0.001 0.000 0.996 199 E CA 1.985 58.385 56.400 -0.001 0.000 0.832 199 E CB -0.360 29.339 29.700 -0.003 0.000 0.756 199 E HN 0.364 8.710 8.360 -0.004 0.012 0.491 200 A N -0.563 122.254 122.820 -0.004 0.000 2.015 200 A HA -0.190 4.127 4.320 -0.006 0.000 0.219 200 A C 1.880 179.464 177.584 0.000 0.000 1.163 200 A CA 2.829 54.863 52.037 -0.005 0.000 0.646 200 A CB -0.711 18.282 19.000 -0.013 0.000 0.806 200 A HN 0.063 8.035 8.150 -0.006 0.175 0.448 201 L N -1.533 119.693 121.223 0.006 0.000 2.017 201 L HA -0.268 4.074 4.340 0.003 0.000 0.208 201 L C 2.443 179.312 176.870 -0.001 0.000 1.073 201 L CA 2.561 57.405 54.840 0.005 0.000 0.745 201 L CB -0.452 41.615 42.059 0.014 0.000 0.894 201 L HN -0.445 7.661 8.230 0.008 0.129 0.432 202 L N -1.459 119.765 121.223 0.002 0.000 2.093 202 L HA -0.344 3.996 4.340 -0.000 0.000 0.208 202 L C 1.803 178.676 176.870 0.005 0.000 1.085 202 L CA 2.888 57.729 54.840 0.002 0.000 0.755 202 L CB -0.518 41.543 42.059 0.004 0.000 0.904 202 L HN -0.623 7.609 8.230 0.004 0.000 0.435 203 S N -0.399 115.304 115.700 0.004 0.000 2.368 203 S HA -0.376 4.100 4.470 0.010 0.000 0.225 203 S C 2.096 176.700 174.600 0.007 0.000 1.030 203 S CA 4.598 62.802 58.200 0.006 0.000 0.999 203 S CB -0.576 62.625 63.200 0.002 0.000 0.844 203 S HN 0.273 8.585 8.310 0.002 0.000 0.459 204 S N 2.882 118.583 115.700 0.001 0.000 2.368 204 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 204 S C 2.220 176.822 174.600 0.003 0.000 1.029 204 S CA 2.999 61.198 58.200 -0.002 0.000 0.988 204 S CB -0.168 63.026 63.200 -0.011 0.000 0.838 204 S HN 0.014 8.216 8.310 -0.001 0.107 0.462 205 M N 0.218 119.818 119.600 -0.000 0.000 2.175 205 M HA -0.218 4.262 4.480 -0.000 0.000 0.264 205 M C 1.640 177.963 176.300 0.040 0.000 1.063 205 M CA 3.450 58.751 55.300 0.002 0.000 1.119 205 M CB -0.201 32.386 32.600 -0.021 0.000 1.377 205 M HN -0.387 7.900 8.290 -0.005 0.000 0.415 206 K N 0.431 120.859 120.400 0.045 0.000 2.031 206 K HA -0.254 4.148 4.320 0.136 0.000 0.205 206 K C 2.388 179.037 176.600 0.082 0.000 1.049 206 K CA 3.481 59.818 56.287 0.084 0.000 0.939 206 K CB 0.336 32.870 32.500 0.056 0.000 0.717 206 K HN -0.184 8.082 8.250 0.026 0.000 0.438 207 T N -0.770 113.810 114.554 0.043 0.000 2.857 207 T HA -0.275 4.086 4.350 0.019 0.000 0.266 207 T C 2.352 177.065 174.700 0.023 0.000 1.048 207 T CA 4.210 66.324 62.100 0.024 0.000 1.139 207 T CB -0.598 68.277 68.868 0.011 0.000 0.874 207 T HN 0.031 8.290 8.240 0.032 0.000 0.455 208 Q N 1.084 120.904 119.800 0.032 0.000 2.123 208 Q HA -0.377 3.968 4.340 0.008 0.000 0.199 208 Q C 1.950 177.981 176.000 0.052 0.000 0.966 208 Q CA 3.365 59.183 55.803 0.026 0.000 0.845 208 Q CB -0.042 28.705 28.738 0.014 0.000 0.907 208 Q HN 0.227 8.517 8.270 0.033 0.000 0.439 209 H N 1.429 120.480 119.070 -0.031 0.000 2.293 209 H HA -0.349 4.174 4.556 -0.055 0.000 0.300 209 H C 1.797 177.111 175.328 -0.024 0.000 1.082 209 H CA 3.529 59.558 56.048 -0.033 0.000 1.308 209 H CB 0.397 30.149 29.762 -0.017 0.000 1.375 209 H HN -0.496 7.886 8.280 0.169 0.000 0.495 210 D N -1.423 118.907 120.400 -0.117 0.000 2.178 210 D HA -0.275 4.124 4.640 -0.402 0.000 0.202 210 D C 2.509 178.734 176.300 -0.125 0.000 0.974 210 D CA 3.633 57.509 54.000 -0.206 0.000 0.841 210 D CB -0.132 40.611 40.800 -0.095 0.000 0.953 210 D HN 0.172 8.560 8.370 0.030 0.000 0.478 211 E N -0.029 120.132 120.200 -0.064 0.000 2.076 211 E HA -0.151 4.177 4.350 -0.036 0.000 0.190 211 E C 2.448 179.027 176.600 -0.035 0.000 0.979 211 E CA 2.533 58.910 56.400 -0.038 0.000 0.807 211 E CB 0.060 29.750 29.700 -0.018 0.000 0.761 211 E HN -0.512 7.823 8.360 -0.042 0.000 0.454 212 L N 0.329 121.523 121.223 -0.047 0.000 2.156 212 L HA -0.110 4.222 4.340 -0.014 0.000 0.208 212 L C 1.675 178.515 176.870 -0.048 0.000 1.095 212 L CA 1.870 56.676 54.840 -0.056 0.000 0.770 212 L CB -0.584 41.408 42.059 -0.113 0.000 0.914 212 L HN 0.037 8.241 8.230 -0.043 0.000 0.439 213 L N -0.775 120.396 121.223 -0.086 0.000 2.042 213 L HA -0.429 3.914 4.340 0.006 0.000 0.210 213 L C 1.387 178.262 176.870 0.009 0.000 1.076 213 L CA 3.691 58.496 54.840 -0.058 0.000 0.749 213 L CB -0.418 41.505 42.059 -0.227 0.000 0.893 213 L HN 0.538 8.580 8.230 -0.136 0.106 0.432 214 K N -1.705 118.685 120.400 -0.016 0.000 2.026 214 K HA -0.435 3.893 4.320 0.013 0.000 0.208 214 K C 2.383 179.015 176.600 0.055 0.000 1.048 214 K CA 3.741 60.036 56.287 0.012 0.000 0.929 214 K CB -0.385 32.112 32.500 -0.005 0.000 0.713 214 K HN -0.682 7.534 8.250 -0.055 0.000 0.439 215 K N -0.547 119.898 120.400 0.075 0.000 2.026 215 K HA -0.300 4.066 4.320 0.076 0.000 0.208 215 K C 2.698 179.409 176.600 0.186 0.000 1.048 215 K CA 3.125 59.479 56.287 0.112 0.000 0.929 215 K CB -0.066 32.503 32.500 0.116 0.000 0.713 215 K HN -0.736 7.544 8.250 0.051 0.000 0.439 216 F N -1.968 117.982 119.950 0.000 0.000 2.293 216 F HA -0.240 4.297 4.527 0.017 0.000 0.300 216 F C 1.364 177.187 175.800 0.039 0.000 1.086 216 F CA 3.157 61.168 58.000 0.018 0.000 1.375 216 F CB 0.161 39.168 39.000 0.011 0.000 1.045 216 F HN 0.227 8.711 8.300 0.308 0.000 0.516 217 A N -2.416 120.518 122.820 0.190 0.000 2.095 217 A HA 0.182 4.568 4.320 0.109 0.000 0.212 217 A C 1.064 178.685 177.584 0.062 0.000 1.162 217 A CA 0.744 52.847 52.037 0.110 0.000 0.753 217 A CB -0.257 18.798 19.000 0.091 0.000 0.840 217 A HN -0.144 8.099 8.150 0.182 0.016 0.468 218 A N -1.169 121.685 122.820 0.056 0.000 2.014 218 A HA -0.104 4.231 4.320 0.026 0.000 0.218 218 A C 0.871 178.467 177.584 0.020 0.000 1.163 218 A CA 2.116 54.173 52.037 0.033 0.000 0.652 218 A CB 0.034 19.052 19.000 0.031 0.000 0.808 218 A HN -0.134 8.061 8.150 0.074 0.000 0.449 219 L N -1.364 119.868 121.223 0.016 0.000 2.956 219 L HA 0.268 4.603 4.340 -0.008 0.000 0.232 219 L C -1.066 175.789 176.870 -0.025 0.000 1.291 219 L CA -1.682 53.151 54.840 -0.011 0.000 1.122 219 L CB -0.679 41.367 42.059 -0.023 0.000 1.461 219 L HN -0.811 7.417 8.230 0.034 0.023 0.470 220 T N 0.512 115.061 114.554 -0.009 0.000 2.898 220 T HA -0.057 4.367 4.350 -0.003 -0.076 0.331 220 T C -0.887 173.794 174.700 -0.031 0.000 1.085 220 T CA -1.170 60.923 62.100 -0.012 0.000 1.129 220 T CB -0.353 68.512 68.868 -0.005 0.000 1.054 220 T HN -0.662 7.506 8.240 0.001 0.072 0.540 221 P HA 0.142 4.550 4.420 -0.020 0.000 0.271 221 P C -0.857 176.433 177.300 -0.018 0.000 1.218 221 P CA -0.557 62.520 63.100 -0.038 0.000 0.780 221 P CB 1.027 32.685 31.700 -0.070 0.000 0.901 222 T N 2.408 116.977 114.554 0.025 0.000 2.754 222 T HA -0.179 4.420 4.350 0.117 -0.179 0.282 222 T C -0.157 174.628 174.700 0.142 0.000 0.923 222 T CA 0.251 62.411 62.100 0.099 0.000 1.164 222 T CB -0.135 68.798 68.868 0.108 0.000 0.873 222 T HN -0.019 8.232 8.240 0.018 0.000 0.537 223 F N 7.076 127.030 119.950 0.006 0.000 2.154 223 F HA -0.349 4.156 4.527 -0.036 0.000 0.301 223 F C -1.261 174.608 175.800 0.116 0.000 1.087 223 F CA 2.620 60.631 58.000 0.019 0.000 1.274 223 F CB 0.539 39.493 39.000 -0.077 0.000 1.009 223 F HN 0.133 8.565 8.300 0.220 0.000 0.485 224 L N -8.288 113.186 121.223 0.417 0.000 2.502 224 L HA 0.199 4.679 4.340 0.233 0.000 0.253 224 L C -0.728 176.264 176.870 0.203 0.000 1.070 224 L CA -2.094 52.921 54.840 0.291 0.000 0.871 224 L CB 2.997 45.245 42.059 0.314 0.000 1.487 224 L HN -0.808 7.665 8.230 0.453 0.030 0.408 225 T N -2.119 112.525 114.554 0.150 0.000 2.766 225 T HA 0.029 4.448 4.350 0.114 0.000 0.295 225 T C 0.636 175.416 174.700 0.134 0.000 1.024 225 T CA -0.902 61.270 62.100 0.120 0.000 1.018 225 T CB 1.633 70.555 68.868 0.090 0.000 1.002 225 T HN 0.228 8.554 8.240 0.144 0.000 0.532 226 S N 1.018 116.799 115.700 0.135 0.000 2.368 226 S HA -0.349 4.279 4.470 0.264 0.000 0.225 226 S C 2.186 176.858 174.600 0.120 0.000 1.030 226 S CA 3.336 61.660 58.200 0.206 0.000 0.999 226 S CB -0.061 63.270 63.200 0.218 0.000 0.844 226 S HN 0.376 8.755 8.310 0.114 0.000 0.459 227 E N 0.505 120.729 120.200 0.040 0.000 2.216 227 E HA -0.151 4.113 4.350 -0.143 0.000 0.192 227 E C 2.001 178.606 176.600 0.008 0.000 0.988 227 E CA 2.366 58.746 56.400 -0.033 0.000 0.834 227 E CB -0.141 29.553 29.700 -0.009 0.000 0.772 227 E HN 0.231 8.625 8.360 0.056 0.000 0.479 228 D N 0.262 120.700 120.400 0.063 0.000 2.178 228 D HA -0.220 4.482 4.640 0.103 0.000 0.202 228 D C 2.492 178.856 176.300 0.107 0.000 0.974 228 D CA 3.278 57.338 54.000 0.100 0.000 0.841 228 D CB -0.303 40.571 40.800 0.123 0.000 0.953 228 D HN -0.457 7.957 8.370 0.074 0.000 0.478 229 I N -0.926 119.689 120.570 0.075 0.000 2.233 229 I HA -0.439 3.700 4.170 -0.050 0.000 0.243 229 I C 1.602 177.742 176.117 0.038 0.000 1.093 229 I CA 3.783 65.094 61.300 0.018 0.000 1.380 229 I CB 0.032 38.041 38.000 0.016 0.000 1.067 229 I HN -0.186 8.081 8.210 0.094 0.000 0.413 230 S N 0.498 116.167 115.700 -0.050 0.000 2.356 230 S HA -0.279 4.151 4.470 -0.065 0.000 0.223 230 S C 2.781 177.355 174.600 -0.044 0.000 1.032 230 S CA 3.099 61.196 58.200 -0.172 0.000 1.005 230 S CB -0.306 62.539 63.200 -0.593 0.000 0.867 230 S HN -0.231 8.021 8.310 -0.098 0.000 0.449 231 G N 0.135 108.935 108.800 0.001 0.000 2.471 231 G HA2 -0.206 3.766 3.960 0.020 0.000 0.219 231 G HA3 -0.206 3.802 3.960 0.080 0.000 0.219 231 G C 0.152 175.147 174.900 0.158 0.000 1.125 231 G CA 1.403 46.541 45.100 0.063 0.000 0.775 231 G HN 0.447 8.614 8.290 -0.036 0.101 0.548 232 Y N 2.958 123.312 120.300 0.090 0.000 2.163 232 Y HA -0.331 4.461 4.550 0.404 0.000 0.288 232 Y C 1.759 177.691 175.900 0.055 0.000 1.136 232 Y CA 3.301 61.513 58.100 0.188 0.000 1.147 232 Y CB 0.381 38.915 38.460 0.123 0.000 0.987 232 Y HN -0.839 7.428 8.280 0.243 0.158 0.509 233 L N -1.644 119.688 121.223 0.181 0.000 2.127 233 L HA -0.374 4.011 4.340 0.075 0.000 0.211 233 L C 2.327 179.142 176.870 -0.093 0.000 1.089 233 L CA 2.810 57.676 54.840 0.043 0.000 0.757 233 L CB -0.293 41.787 42.059 0.035 0.000 0.899 233 L HN -0.535 7.812 8.230 0.195 0.000 0.434 234 T N -1.315 113.182 114.554 -0.094 0.000 2.904 234 T HA -0.204 4.083 4.350 -0.105 0.000 0.267 234 T C 0.448 175.003 174.700 -0.242 0.000 1.059 234 T CA 3.237 65.262 62.100 -0.125 0.000 1.137 234 T CB 0.366 69.191 68.868 -0.071 0.000 0.879 234 T HN -0.106 8.092 8.240 -0.035 0.020 0.467 235 V N 1.799 121.458 119.914 -0.425 0.000 5.637 235 V HA -0.362 3.045 4.120 -1.189 0.000 0.246 235 V C -2.631 173.208 176.094 -0.425 0.000 0.678 235 V CA 0.114 61.928 62.300 -0.809 0.000 0.578 235 V CB -0.218 30.918 31.823 -1.145 0.000 0.235 235 V HN -0.710 7.264 8.190 -0.360 0.000 0.609 236 P HA 0.111 4.486 4.420 -0.076 0.000 0.274 236 P C -0.530 176.770 177.300 0.001 0.000 1.231 236 P CA -0.334 62.730 63.100 -0.059 0.000 0.790 236 P CB 0.608 32.311 31.700 0.005 0.000 0.951 237 E N -2.025 118.188 120.200 0.022 0.000 2.038 237 E HA -0.468 3.908 4.350 0.043 0.000 0.181 237 E C -0.835 175.796 176.600 0.053 0.000 1.383 237 E CA 0.443 56.886 56.400 0.071 0.000 0.677 237 E CB -1.468 28.339 29.700 0.178 0.000 1.051 237 E HN 0.386 8.751 8.360 0.008 0.000 0.317 238 Y N 1.053 121.235 120.300 -0.197 0.000 2.857 238 Y HA -0.409 4.070 4.550 -0.118 0.000 0.373 238 Y C -0.099 175.706 175.900 -0.157 0.000 1.346 238 Y CA 1.631 59.591 58.100 -0.232 0.000 1.736 238 Y CB -0.549 37.632 38.460 -0.465 0.000 1.236 238 Y HN 0.202 8.460 8.280 -0.035 0.000 0.507 239 G N 5.255 113.801 108.800 -0.423 0.000 2.977 239 G HA2 -0.251 3.429 3.960 -0.468 0.000 0.211 239 G HA3 -0.251 3.680 3.960 -0.235 -0.112 0.211 239 G C -1.502 173.193 174.900 -0.341 0.000 0.994 239 G CA -0.406 44.477 45.100 -0.361 0.000 0.795 239 G HN 0.116 8.254 8.290 -0.254 0.000 0.518 240 A N 3.518 126.066 122.820 -0.454 0.000 2.561 240 A HA 0.030 2.952 4.320 -2.331 0.000 0.234 240 A C -2.177 175.037 177.584 -0.618 0.000 1.055 240 A CA -0.752 50.679 52.037 -1.010 0.000 0.756 240 A CB -0.798 17.839 19.000 -0.605 0.000 0.986 240 A HN -0.550 7.458 8.150 -0.236 0.000 0.505 241 P HA -0.153 4.121 4.420 -0.243 0.000 0.269 241 P C 0.225 177.399 177.300 -0.210 0.000 1.211 241 P CA 0.302 63.221 63.100 -0.301 0.000 0.781 241 P CB 0.642 32.217 31.700 -0.208 0.000 0.877 242 M N 1.436 120.948 119.600 -0.147 0.000 2.781 242 M HA -0.008 4.391 4.480 -0.135 0.000 0.208 242 M C -0.661 175.584 176.300 -0.091 0.000 1.231 242 M CA 0.450 55.678 55.300 -0.121 0.000 1.029 242 M CB -2.146 30.389 32.600 -0.109 0.000 1.753 242 M HN 0.436 8.647 8.290 -0.133 0.000 0.448 243 N N -1.816 116.832 118.700 -0.088 0.000 2.527 243 N HA 0.080 4.791 4.740 -0.049 0.000 0.279 243 N C -1.158 174.323 175.510 -0.047 0.000 1.571 243 N CA 0.701 53.718 53.050 -0.056 0.000 0.858 243 N CB 0.963 39.427 38.487 -0.040 0.000 1.422 243 N HN -0.329 7.820 8.380 -0.116 0.161 0.491 244 A N -1.765 121.014 122.820 -0.068 0.000 1.781 244 A HA 0.010 4.325 4.320 -0.009 0.000 0.180 244 A C -0.873 176.681 177.584 -0.051 0.000 1.996 244 A CA 1.046 53.052 52.037 -0.052 0.000 1.576 244 A CB 0.781 19.728 19.000 -0.089 0.000 1.609 244 A HN -0.304 7.796 8.150 -0.082 0.000 0.304 245 A N 1.778 124.542 122.820 -0.092 0.000 3.051 245 A HA -0.183 4.146 4.320 0.015 0.000 0.275 245 A C -0.139 177.426 177.584 -0.030 0.000 1.900 245 A CA -0.198 51.811 52.037 -0.046 0.000 1.496 245 A CB -1.881 17.061 19.000 -0.096 0.000 1.013 245 A HN 0.212 8.278 8.150 -0.141 0.000 0.611 246 K N 4.016 124.434 120.400 0.029 0.000 2.113 246 K HA -0.431 3.896 4.320 0.012 0.000 0.208 246 K C 1.287 177.927 176.600 0.066 0.000 1.047 246 K CA 3.544 59.856 56.287 0.043 0.000 0.928 246 K CB -0.338 32.201 32.500 0.066 0.000 0.716 246 K HN 0.039 8.267 8.250 0.041 0.046 0.446 247 W N -1.923 119.352 121.300 -0.042 0.000 2.355 247 W HA -0.351 4.293 4.660 -0.026 0.000 0.309 247 W C 0.885 177.366 176.519 -0.062 0.000 1.206 247 W CA 2.630 59.924 57.345 -0.085 0.000 1.284 247 W CB -0.954 28.386 29.460 -0.199 0.000 1.145 247 W HN 0.022 8.339 8.180 0.261 0.019 0.502 248 K N 1.529 121.337 120.400 -0.987 0.000 2.148 248 K HA -0.419 3.064 4.320 -1.396 0.000 0.204 248 K C 2.104 178.453 176.600 -0.418 0.000 1.050 248 K CA 3.446 59.158 56.287 -0.957 0.000 0.942 248 K CB -0.516 31.542 32.500 -0.736 0.000 0.724 248 K HN -0.474 7.309 8.250 -0.778 0.000 0.446 249 K N -0.226 120.038 120.400 -0.226 0.000 2.057 249 K HA -0.276 3.979 4.320 -0.109 0.000 0.207 249 K C 2.371 178.951 176.600 -0.035 0.000 1.049 249 K CA 3.274 59.499 56.287 -0.102 0.000 0.931 249 K CB -0.033 32.435 32.500 -0.054 0.000 0.714 249 K HN -0.456 7.670 8.250 -0.206 0.000 0.440 250 V N -0.490 119.436 119.914 0.020 0.000 2.407 250 V HA -0.521 3.675 4.120 0.126 0.000 0.248 250 V C 1.439 177.633 176.094 0.168 0.000 1.055 250 V CA 4.409 66.793 62.300 0.140 0.000 1.049 250 V CB -0.161 31.817 31.823 0.258 0.000 0.662 250 V HN 0.049 8.242 8.190 0.004 0.000 0.455 251 E N 0.116 120.366 120.200 0.083 0.000 2.077 251 E HA -0.322 4.251 4.350 0.371 0.000 0.193 251 E C 2.379 179.009 176.600 0.050 0.000 0.989 251 E CA 3.629 60.089 56.400 0.100 0.000 0.800 251 E CB -0.315 29.191 29.700 -0.323 0.000 0.746 251 E HN 0.313 8.437 8.360 -0.094 0.179 0.452 252 G N -1.356 107.422 108.800 -0.037 0.000 2.418 252 G HA2 -0.331 3.613 3.960 -0.027 0.000 0.217 252 G HA3 -0.331 3.601 3.960 -0.047 0.000 0.217 252 G C 1.377 176.321 174.900 0.073 0.000 1.158 252 G CA 2.089 47.182 45.100 -0.010 0.000 0.771 252 G HN 0.122 8.347 8.290 -0.108 0.000 0.545 253 M N 2.487 122.141 119.600 0.089 0.000 2.175 253 M HA -0.211 4.330 4.480 0.102 0.000 0.264 253 M C 1.813 178.244 176.300 0.219 0.000 1.063 253 M CA 1.668 57.047 55.300 0.131 0.000 1.119 253 M CB -0.296 32.381 32.600 0.128 0.000 1.377 253 M HN -0.591 7.668 8.290 0.068 0.072 0.415 254 I N 0.064 120.773 120.570 0.231 0.000 2.179 254 I HA -0.665 3.783 4.170 0.464 0.000 0.242 254 I C 1.670 177.927 176.117 0.234 0.000 1.088 254 I CA 4.723 66.171 61.300 0.246 0.000 1.357 254 I CB -0.456 37.565 38.000 0.035 0.000 1.051 254 I HN 0.252 8.491 8.210 0.183 0.081 0.409 255 H N 0.014 119.141 119.070 0.096 0.000 2.389 255 H HA -0.243 4.357 4.556 0.073 0.000 0.299 255 H C 2.409 177.778 175.328 0.069 0.000 1.081 255 H CA 4.709 60.800 56.048 0.071 0.000 1.345 255 H CB 0.636 30.422 29.762 0.041 0.000 1.393 255 H HN 0.362 8.811 8.280 0.280 0.000 0.520 256 G N -2.051 106.872 108.800 0.206 0.000 2.408 256 G HA2 -0.340 3.694 3.960 0.122 0.000 0.217 256 G HA3 -0.340 3.678 3.960 0.097 0.000 0.217 256 G C 1.059 176.007 174.900 0.080 0.000 1.150 256 G CA 1.681 46.854 45.100 0.122 0.000 0.776 256 G HN 0.325 8.739 8.290 0.208 0.000 0.542 257 K N 2.358 122.819 120.400 0.102 0.000 2.097 257 K HA -0.233 4.069 4.320 -0.031 0.000 0.205 257 K C 2.912 179.548 176.600 0.061 0.000 1.050 257 K CA 3.170 59.478 56.287 0.035 0.000 0.938 257 K CB -0.064 32.400 32.500 -0.061 0.000 0.718 257 K HN -0.143 8.207 8.250 0.166 0.000 0.442 258 L N -1.852 119.440 121.223 0.116 0.000 2.156 258 L HA -0.213 4.167 4.340 0.066 0.000 0.208 258 L C 1.258 178.125 176.870 -0.006 0.000 1.095 258 L CA 2.286 57.155 54.840 0.049 0.000 0.770 258 L CB 0.248 42.307 42.059 0.002 0.000 0.914 258 L HN -0.530 7.795 8.230 0.158 0.000 0.439 259 E N -3.256 116.943 120.200 -0.001 0.000 2.482 259 E HA -0.139 4.205 4.350 -0.010 0.000 0.196 259 E C -0.130 176.475 176.600 0.008 0.000 1.047 259 E CA 1.555 57.959 56.400 0.007 0.000 0.869 259 E CB 0.377 30.106 29.700 0.049 0.000 0.836 259 E HN -0.247 8.124 8.360 0.020 0.000 0.520 260 S N -1.282 114.419 115.700 0.002 0.000 3.420 260 S HA 0.047 4.513 4.470 -0.007 0.000 0.173 260 S C -0.181 174.405 174.600 -0.024 0.000 0.800 260 S CA -0.036 58.158 58.200 -0.010 0.000 0.963 260 S CB 1.617 64.809 63.200 -0.013 0.000 1.236 260 S HN -0.554 7.567 8.310 0.005 0.192 0.827 261 S N 2.816 118.490 115.700 -0.044 0.000 2.584 261 S HA 0.079 4.520 4.470 -0.048 0.000 0.270 261 S C -0.778 173.794 174.600 -0.047 0.000 1.346 261 S CA -0.058 58.107 58.200 -0.058 0.000 1.018 261 S CB 0.724 63.865 63.200 -0.099 0.000 0.899 261 S HN -0.061 8.216 8.310 -0.054 0.000 0.542 262 E N 1.774 121.948 120.200 -0.044 0.000 2.392 262 E HA -0.084 4.252 4.350 -0.023 0.000 0.264 262 E C -1.025 175.552 176.600 -0.037 0.000 1.024 262 E CA 0.114 56.494 56.400 -0.033 0.000 0.903 262 E CB 0.493 30.176 29.700 -0.029 0.000 0.963 262 E HN -0.033 8.300 8.360 -0.046 0.000 0.432 263 V N 4.070 123.974 119.914 -0.016 0.000 2.733 263 V HA 0.182 4.292 4.120 -0.017 0.000 0.306 263 V C -2.552 173.539 176.094 -0.004 0.000 1.084 263 V CA -2.447 59.852 62.300 -0.001 0.000 0.905 263 V CB 1.800 33.657 31.823 0.057 0.000 1.010 263 V HN 0.124 8.308 8.190 -0.011 0.000 0.424 264 P HA 0.016 4.428 4.420 -0.014 0.000 0.267 264 P C 0.236 177.527 177.300 -0.014 0.000 1.200 264 P CA -0.476 62.615 63.100 -0.015 0.000 0.772 264 P CB 0.916 32.603 31.700 -0.021 0.000 0.855 265 A N 3.857 126.670 122.820 -0.012 0.000 1.940 265 A HA -0.327 3.987 4.320 -0.010 0.000 0.219 265 A C 2.022 179.598 177.584 -0.013 0.000 1.176 265 A CA 3.368 55.398 52.037 -0.011 0.000 0.631 265 A CB -0.237 18.759 19.000 -0.007 0.000 0.814 265 A HN 0.503 8.646 8.150 -0.011 0.000 0.446 266 N N -1.307 117.385 118.700 -0.014 0.000 2.188 266 N HA -0.178 4.556 4.740 -0.009 0.000 0.184 266 N C 1.832 177.324 175.510 -0.029 0.000 1.018 266 N CA 2.384 55.425 53.050 -0.015 0.000 0.858 266 N CB -0.623 37.857 38.487 -0.011 0.000 0.989 266 N HN 0.152 8.524 8.380 -0.013 0.000 0.426 267 L N -0.184 121.011 121.223 -0.046 0.000 2.093 267 L HA -0.358 3.909 4.340 -0.123 0.000 0.208 267 L C 1.535 178.340 176.870 -0.109 0.000 1.085 267 L CA 2.836 57.617 54.840 -0.098 0.000 0.755 267 L CB -0.224 41.783 42.059 -0.087 0.000 0.904 267 L HN -0.677 7.448 8.230 -0.035 0.084 0.435 268 K N -1.379 118.987 120.400 -0.056 0.000 2.097 268 K HA -0.408 3.866 4.320 -0.076 0.000 0.206 268 K C 2.189 178.769 176.600 -0.033 0.000 1.049 268 K CA 3.611 59.869 56.287 -0.048 0.000 0.933 268 K CB -0.368 32.119 32.500 -0.022 0.000 0.717 268 K HN 0.151 8.380 8.250 -0.035 0.000 0.442 269 A N 0.103 122.913 122.820 -0.017 0.000 1.902 269 A HA -0.212 4.112 4.320 0.007 0.000 0.217 269 A C 2.131 179.730 177.584 0.025 0.000 1.181 269 A CA 3.076 55.115 52.037 0.004 0.000 0.623 269 A CB -0.937 18.067 19.000 0.006 0.000 0.818 269 A HN -0.196 7.858 8.150 -0.019 0.085 0.443 270 L N -2.107 119.132 121.223 0.027 0.000 2.079 270 L HA -0.417 4.002 4.340 0.132 0.000 0.210 270 L C 2.609 179.623 176.870 0.241 0.000 1.081 270 L CA 2.988 57.902 54.840 0.123 0.000 0.752 270 L CB -0.470 41.654 42.059 0.109 0.000 0.896 270 L HN -0.078 8.151 8.230 -0.002 0.000 0.433 271 V N -0.368 119.603 119.914 0.095 0.000 2.343 271 V HA -0.610 3.659 4.120 0.249 0.000 0.247 271 V C 1.590 177.697 176.094 0.021 0.000 1.051 271 V CA 4.531 66.862 62.300 0.052 0.000 1.036 271 V CB -0.538 31.180 31.823 -0.174 0.000 0.654 271 V HN 0.254 8.343 8.190 -0.050 0.071 0.451 272 A N -0.489 122.344 122.820 0.022 0.000 1.933 272 A HA -0.420 3.923 4.320 0.038 0.000 0.218 272 A C 1.329 178.938 177.584 0.042 0.000 1.175 272 A CA 3.431 55.487 52.037 0.032 0.000 0.628 272 A CB -0.943 18.072 19.000 0.025 0.000 0.814 272 A HN 0.184 8.267 8.150 0.011 0.074 0.444 273 E N 0.147 120.376 120.200 0.048 0.000 2.106 273 E HA -0.259 4.289 4.350 0.032 -0.179 0.192 273 E C 2.250 178.861 176.600 0.019 0.000 0.984 273 E CA 2.575 58.998 56.400 0.039 0.000 0.806 273 E CB 0.185 29.914 29.700 0.049 0.000 0.750 273 E HN 0.055 8.283 8.360 0.056 0.165 0.458 274 L N -0.243 120.975 121.223 -0.009 0.000 2.079 274 L HA -0.318 3.965 4.340 -0.095 0.000 0.210 274 L C 1.872 178.793 176.870 0.085 0.000 1.081 274 L CA 3.366 58.153 54.840 -0.088 0.000 0.752 274 L CB 0.119 41.965 42.059 -0.355 0.000 0.896 274 L HN 0.016 8.203 8.230 0.042 0.068 0.433 275 I N -3.652 116.990 120.570 0.120 0.000 2.353 275 I HA -0.489 3.954 4.170 0.455 0.000 0.248 275 I C 0.957 177.143 176.117 0.115 0.000 1.119 275 I CA 3.722 65.162 61.300 0.233 0.000 1.417 275 I CB -0.079 38.055 38.000 0.225 0.000 1.078 275 I HN -0.023 8.152 8.210 0.052 0.067 0.421 276 E N 1.199 121.436 120.200 0.062 0.000 2.158 276 E HA -0.257 4.107 4.350 0.023 0.000 0.191 276 E C 2.303 178.907 176.600 0.007 0.000 0.982 276 E CA 2.689 59.105 56.400 0.028 0.000 0.823 276 E CB -0.016 29.698 29.700 0.024 0.000 0.766 276 E HN 0.065 8.354 8.360 0.058 0.105 0.468 277 L N 0.264 121.494 121.223 0.011 0.000 2.046 277 L HA -0.160 4.351 4.340 -0.013 -0.179 0.208 277 L C 2.177 179.028 176.870 -0.033 0.000 1.077 277 L CA 3.072 57.908 54.840 -0.007 0.000 0.747 277 L CB -0.530 41.526 42.059 -0.004 0.000 0.896 277 L HN 0.267 8.511 8.230 0.024 0.000 0.432 278 R N -0.967 119.515 120.500 -0.029 0.000 2.096 278 R HA -0.217 4.207 4.340 -0.166 -0.184 0.235 278 R C 2.321 178.506 176.300 -0.191 0.000 1.127 278 R CA 2.660 58.670 56.100 -0.150 0.000 0.968 278 R CB -0.940 29.209 30.300 -0.251 0.000 0.861 278 R HN -0.576 7.717 8.270 0.039 0.000 0.440 279 E N -0.421 119.708 120.200 -0.119 0.000 2.077 279 E HA -0.346 3.909 4.350 -0.159 0.000 0.193 279 E C 2.574 179.120 176.600 -0.090 0.000 0.989 279 E CA 3.014 59.348 56.400 -0.110 0.000 0.800 279 E CB -0.703 28.966 29.700 -0.052 0.000 0.746 279 E HN -0.256 7.992 8.360 -0.060 0.076 0.452 280 Q N -0.936 118.827 119.800 -0.062 0.000 2.096 280 Q HA -0.321 3.997 4.340 -0.037 0.000 0.204 280 Q C 2.582 178.548 176.000 -0.056 0.000 0.982 280 Q CA 2.866 58.642 55.803 -0.046 0.000 0.850 280 Q CB -0.093 28.628 28.738 -0.030 0.000 0.901 280 Q HN -0.026 8.214 8.270 -0.050 0.000 0.422 281 M N 0.842 120.393 119.600 -0.082 0.000 2.175 281 M HA -0.256 4.189 4.480 -0.058 0.000 0.264 281 M C 1.648 177.877 176.300 -0.118 0.000 1.063 281 M CA 1.892 57.136 55.300 -0.094 0.000 1.119 281 M CB -0.271 32.257 32.600 -0.121 0.000 1.377 281 M HN -0.018 8.148 8.290 -0.090 0.070 0.415 282 M N -0.357 119.138 119.600 -0.175 0.000 2.229 282 M HA -0.414 3.939 4.480 -0.212 0.000 0.264 282 M C 2.022 178.261 176.300 -0.102 0.000 1.063 282 M CA 4.281 59.463 55.300 -0.197 0.000 1.114 282 M CB -0.253 32.168 32.600 -0.299 0.000 1.387 282 M HN 0.397 8.384 8.290 -0.193 0.188 0.420 283 D N 0.494 120.850 120.400 -0.073 0.000 2.103 283 D HA -0.211 4.592 4.640 -0.048 -0.192 0.199 283 D C 2.351 178.679 176.300 0.047 0.000 0.978 283 D CA 3.548 57.530 54.000 -0.029 0.000 0.829 283 D CB 0.350 41.134 40.800 -0.026 0.000 0.981 283 D HN -0.111 8.209 8.370 -0.083 0.000 0.464 284 L N -1.719 119.529 121.223 0.043 0.000 2.465 284 L HA -0.060 4.380 4.340 0.167 0.000 0.224 284 L C -0.072 176.914 176.870 0.195 0.000 1.145 284 L CA 1.587 56.492 54.840 0.108 0.000 0.834 284 L CB -0.102 41.976 42.059 0.031 0.000 0.944 284 L HN -0.221 8.007 8.230 -0.002 0.000 0.451 285 L N -4.327 116.950 121.223 0.090 0.000 2.467 285 L HA -0.013 4.413 4.340 0.143 0.000 0.213 285 L C -0.600 176.242 176.870 -0.046 0.000 1.053 285 L CA 1.205 56.086 54.840 0.069 0.000 0.847 285 L CB 1.951 44.014 42.059 0.008 0.000 1.075 285 L HN -0.527 7.559 8.230 0.019 0.156 0.479 286 Y N -3.284 116.807 120.300 -0.348 0.000 2.717 286 Y HA 0.141 4.376 4.550 -0.525 0.000 0.250 286 Y C -0.544 175.064 175.900 -0.487 0.000 1.149 286 Y CA -1.066 56.773 58.100 -0.435 0.000 1.211 286 Y CB 2.771 41.097 38.460 -0.222 0.000 1.289 286 Y HN -0.109 8.042 8.280 -0.013 0.122 0.552 287 G N 0.388 108.921 108.800 -0.446 0.000 2.877 287 G HA2 -0.382 3.696 3.960 0.079 0.000 0.279 287 G HA3 -0.382 3.422 3.960 -0.261 0.000 0.279 287 G C -2.700 172.112 174.900 -0.146 0.000 1.431 287 G CA -0.464 44.521 45.100 -0.192 0.000 0.883 287 G HN -0.058 7.930 8.290 -0.364 0.083 0.547 288 P HA 0.158 4.513 4.420 -0.109 0.000 0.277 288 P C -1.120 176.041 177.300 -0.232 0.000 1.271 288 P CA -0.324 62.687 63.100 -0.149 0.000 0.795 288 P CB 0.806 32.420 31.700 -0.143 0.000 1.101 289 I N -5.737 114.677 120.570 -0.260 0.000 2.722 289 I HA 0.302 4.050 4.170 -0.704 0.000 0.295 289 I C -0.177 175.701 176.117 -0.398 0.000 1.161 289 I CA -1.292 59.675 61.300 -0.556 0.000 1.032 289 I CB 2.443 40.041 38.000 -0.668 0.000 1.244 289 I HN -0.267 7.850 8.210 -0.156 0.000 0.421 290 G N 2.319 110.837 108.800 -0.470 0.000 2.258 290 G HA2 -0.436 3.688 3.960 0.004 0.000 0.274 290 G HA3 -0.436 3.577 3.960 0.089 0.000 0.274 290 G C -0.848 173.997 174.900 -0.091 0.000 1.021 290 G CA 0.673 45.724 45.100 -0.082 0.000 0.798 290 G HN 0.338 8.160 8.290 -0.780 0.000 0.507 291 H N 0.053 118.933 119.070 -0.316 0.000 3.138 291 H HA -0.189 4.265 4.556 -0.170 0.000 0.275 291 H C -1.555 173.440 175.328 -0.556 0.000 0.997 291 H CA 0.797 56.662 56.048 -0.306 0.000 1.460 291 H CB -0.745 28.865 29.762 -0.253 0.000 1.524 291 H HN -0.179 7.984 8.280 -0.155 0.024 0.532 292 H N 0.000 118.826 119.070 -0.406 0.000 2.539 292 H HA 0.000 4.375 4.556 -0.301 0.000 0.296 292 H CA 0.000 55.861 56.048 -0.311 0.000 1.023 292 H CB 0.000 29.684 29.762 -0.129 0.000 1.292 292 H HN 0.000 8.061 8.280 -0.365 0.000 0.496