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 3lun_1_A DATA FIRST_RESID 63 DATA SEQUENCE EIVKIPVVVH VVWNEEEENI SDAQIQSQID ILNKDFRKLN SDVSQVPSVW DATA SEQUENCE SNLIADLGIE FFLATKDPNG NQTTGITRTQ TSVTFFTTSD EVKFASSGGE DATA SEQUENCE DAWPADRYLN IWVCHVLKSE IGQDILGYAQ FPGGPAETDG VVIVDAAFGT DATA SEQUENCE TGTALPPFDK GRTATHEIGH WLNLYHIWGD ELRFEDPcSR SDEVDDTPNQ DATA SEQUENCE ADPNFGcPSY PHVScSNGPN GDMFMNYCDY VDDKcMVMFT QGQATRVNAC DATA SEQUENCE LDGPRSSFL 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 63 E HA 0.000 nan 4.350 nan 0.000 0.291 63 E C 0.000 176.597 176.600 -0.006 0.000 1.382 63 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 63 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 64 I N 2.719 123.285 120.570 -0.006 0.000 2.517 64 I HA 0.142 4.311 4.170 -0.002 0.000 0.285 64 I C 0.655 176.759 176.117 -0.020 0.000 1.106 64 I CA -0.626 60.667 61.300 -0.012 0.000 1.402 64 I CB 0.837 38.833 38.000 -0.007 0.000 1.399 64 I HN -0.071 8.139 8.210 0.000 0.000 0.535 65 V N 8.452 128.340 119.914 -0.042 0.000 2.488 65 V HA 0.201 4.320 4.120 -0.002 0.000 0.277 65 V C 0.600 176.643 176.094 -0.085 0.000 1.046 65 V CA -0.660 61.613 62.300 -0.045 0.000 0.986 65 V CB 0.698 32.484 31.823 -0.062 0.000 0.989 65 V HN 0.574 8.764 8.190 0.000 0.000 0.475 66 K N 5.928 126.331 120.400 0.004 0.000 2.339 66 K HA 0.575 4.894 4.320 -0.002 0.000 0.264 66 K C -0.994 175.686 176.600 0.133 0.000 0.986 66 K CA -0.417 55.915 56.287 0.074 0.000 0.866 66 K CB 1.935 34.539 32.500 0.173 0.000 1.103 66 K HN 0.539 8.789 8.250 0.000 0.000 0.441 67 I N 5.506 125.984 120.570 -0.153 0.000 2.312 67 I HA 0.229 4.398 4.170 -0.002 0.000 0.290 67 I C -2.262 173.575 176.117 -0.467 0.000 1.008 67 I CA -2.570 58.586 61.300 -0.240 0.000 1.226 67 I CB 1.520 39.183 38.000 -0.562 0.000 1.371 67 I HN 0.219 8.429 8.210 0.000 0.000 0.468 68 P HA 0.177 4.597 4.420 0.000 0.000 0.276 68 P C -0.736 176.348 177.300 -0.360 0.000 1.230 68 P CA -0.166 62.351 63.100 -0.972 0.000 0.776 68 P CB 1.077 32.483 31.700 -0.491 0.000 0.888 69 V N 4.205 123.892 119.914 -0.378 0.000 2.604 69 V HA 0.436 4.555 4.120 -0.002 0.000 0.305 69 V C -0.198 175.697 176.094 -0.332 0.000 1.043 69 V CA -0.791 61.339 62.300 -0.285 0.000 0.888 69 V CB 2.445 34.102 31.823 -0.277 0.000 0.995 69 V HN 0.316 8.506 8.190 0.000 0.000 0.429 70 V N 6.058 125.635 119.914 -0.561 0.000 2.487 70 V HA 0.631 4.750 4.120 -0.002 0.000 0.298 70 V C -0.701 174.717 176.094 -1.125 0.000 1.028 70 V CA -0.268 61.437 62.300 -0.991 0.000 0.860 70 V CB 2.084 32.839 31.823 -1.780 0.000 0.991 70 V HN 0.625 8.815 8.190 0.000 0.000 0.427 71 V N 7.449 126.812 119.914 -0.918 0.000 2.370 71 V HA 0.509 4.629 4.120 -0.002 0.000 0.279 71 V C -0.379 175.203 176.094 -0.854 0.000 1.029 71 V CA -0.605 61.224 62.300 -0.785 0.000 0.870 71 V CB 1.253 32.824 31.823 -0.421 0.000 0.984 71 V HN 0.875 9.065 8.190 0.000 0.000 0.451 72 H N 3.973 122.652 119.070 -0.651 0.000 2.690 72 H HA 0.346 4.901 4.556 -0.001 0.000 0.280 72 H C -0.349 174.807 175.328 -0.286 0.000 1.138 72 H CA -0.425 55.319 56.048 -0.507 0.000 1.241 72 H CB 1.436 30.771 29.762 -0.710 0.000 1.394 72 H HN 0.370 8.650 8.280 0.000 0.000 0.489 73 V N 4.473 124.336 119.914 -0.086 0.000 2.508 73 V HA 0.060 4.179 4.120 -0.002 0.000 0.281 73 V C 0.529 176.714 176.094 0.150 0.000 1.041 73 V CA -0.360 61.939 62.300 -0.002 0.000 1.016 73 V CB 1.272 33.101 31.823 0.009 0.000 0.984 73 V HN 0.401 8.591 8.190 0.000 0.000 0.478 74 V N 6.088 126.082 119.914 0.134 0.000 2.407 74 V HA 0.543 4.662 4.120 -0.002 0.000 0.291 74 V C -0.507 175.726 176.094 0.232 0.000 1.018 74 V CA -0.538 61.830 62.300 0.114 0.000 0.842 74 V CB 1.453 33.234 31.823 -0.070 0.000 0.996 74 V HN 0.966 9.156 8.190 0.000 0.000 0.426 75 W N 4.203 125.551 121.300 0.080 0.000 2.936 75 W HA 0.592 5.252 4.660 -0.001 0.000 0.338 75 W C -0.353 176.217 176.519 0.086 0.000 1.121 75 W CA -1.026 56.366 57.345 0.078 0.000 1.209 75 W CB 1.844 31.321 29.460 0.029 0.000 1.420 75 W HN 0.536 8.716 8.180 0.000 0.000 0.516 76 N N 0.390 119.219 118.700 0.216 0.000 2.684 76 N HA -0.041 4.698 4.740 -0.002 0.000 0.220 76 N C -0.192 175.448 175.510 0.217 0.000 1.037 76 N CA 0.852 53.931 53.050 0.048 0.000 0.975 76 N CB 0.300 38.830 38.487 0.071 0.000 1.426 76 N HN 0.311 8.691 8.380 0.000 0.000 0.450 77 E N 0.896 121.246 120.200 0.250 0.000 2.277 77 E HA 0.077 4.426 4.350 -0.002 0.000 0.274 77 E C 0.351 177.147 176.600 0.328 0.000 1.022 77 E CA -0.156 56.384 56.400 0.232 0.000 0.853 77 E CB 1.314 31.039 29.700 0.043 0.000 1.086 77 E HN 0.256 8.616 8.360 0.000 0.000 0.397 78 E N 1.556 121.872 120.200 0.192 0.000 2.130 78 E HA -0.230 4.119 4.350 -0.002 0.000 0.196 78 E C 1.385 177.884 176.600 -0.168 0.000 0.998 78 E CA 1.489 57.817 56.400 -0.120 0.000 0.806 78 E CB 0.016 29.659 29.700 -0.095 0.000 0.738 78 E HN 0.430 8.790 8.360 0.000 0.000 0.459 79 E N 0.487 120.644 120.200 -0.072 0.000 2.204 79 E HA -0.156 4.193 4.350 -0.002 0.000 0.195 79 E C 1.479 178.043 176.600 -0.060 0.000 0.990 79 E CA 1.022 57.379 56.400 -0.072 0.000 0.821 79 E CB -0.074 29.594 29.700 -0.054 0.000 0.750 79 E HN 0.412 8.772 8.360 0.000 0.000 0.477 80 E N 0.208 120.387 120.200 -0.034 0.000 2.427 80 E HA -0.039 4.310 4.350 -0.002 0.000 0.196 80 E C 0.386 177.019 176.600 0.054 0.000 1.028 80 E CA 0.040 56.472 56.400 0.053 0.000 0.864 80 E CB 0.006 29.782 29.700 0.128 0.000 0.813 80 E HN 0.030 8.390 8.360 0.000 0.000 0.514 81 N N 2.082 120.696 118.700 -0.143 0.000 3.050 81 N HA 0.034 4.773 4.740 -0.002 0.000 0.289 81 N C -0.444 174.924 175.510 -0.237 0.000 1.209 81 N CA -0.154 52.657 53.050 -0.398 0.000 1.154 81 N CB -0.367 37.439 38.487 -1.135 0.000 1.444 81 N HN 0.178 8.558 8.380 0.000 0.000 0.529 82 I N -0.596 119.915 120.570 -0.099 0.000 2.754 82 I HA 0.173 4.342 4.170 -0.002 0.000 0.285 82 I C 0.841 176.923 176.117 -0.057 0.000 1.166 82 I CA -0.807 60.465 61.300 -0.046 0.000 1.417 82 I CB 0.513 38.529 38.000 0.026 0.000 1.382 82 I HN 0.242 8.452 8.210 0.000 0.000 0.588 83 S N 2.733 118.412 115.700 -0.036 0.000 2.584 83 S HA 0.060 4.529 4.470 -0.002 0.000 0.270 83 S C 0.654 175.247 174.600 -0.013 0.000 1.346 83 S CA -0.250 57.929 58.200 -0.036 0.000 1.018 83 S CB 1.028 64.213 63.200 -0.025 0.000 0.899 83 S HN 0.754 9.064 8.310 0.000 0.000 0.542 84 D N 1.845 122.233 120.400 -0.020 0.000 2.158 84 D HA -0.101 4.538 4.640 -0.002 0.000 0.197 84 D C 2.180 178.481 176.300 0.003 0.000 0.995 84 D CA 1.878 55.873 54.000 -0.009 0.000 0.846 84 D CB -0.866 39.927 40.800 -0.012 0.000 0.941 84 D HN 0.743 9.113 8.370 0.000 0.000 0.456 85 A N 0.564 123.383 122.820 -0.001 0.000 1.972 85 A HA -0.227 4.092 4.320 -0.002 0.000 0.219 85 A C 2.140 179.726 177.584 0.003 0.000 1.169 85 A CA 1.728 53.764 52.037 -0.001 0.000 0.635 85 A CB -0.605 18.393 19.000 -0.004 0.000 0.810 85 A HN 0.268 8.418 8.150 0.000 0.000 0.446 86 Q N -0.448 119.364 119.800 0.021 0.000 2.083 86 Q HA -0.080 4.259 4.340 -0.002 0.000 0.198 86 Q C 1.904 177.940 176.000 0.059 0.000 0.969 86 Q CA 1.449 57.278 55.803 0.043 0.000 0.838 86 Q CB -0.207 28.581 28.738 0.083 0.000 0.900 86 Q HN 0.699 8.969 8.270 0.000 0.000 0.436 87 I N 0.495 121.128 120.570 0.105 0.000 2.202 87 I HA -0.264 3.905 4.170 -0.002 0.000 0.242 87 I C 2.508 178.633 176.117 0.014 0.000 1.091 87 I CA 1.069 62.474 61.300 0.175 0.000 1.368 87 I CB -0.218 37.864 38.000 0.137 0.000 1.058 87 I HN 0.288 8.498 8.210 0.000 0.000 0.410 88 Q N 1.155 120.953 119.800 -0.004 0.000 2.096 88 Q HA -0.216 4.123 4.340 -0.002 0.000 0.204 88 Q C 2.335 178.299 176.000 -0.061 0.000 0.982 88 Q CA 2.503 58.292 55.803 -0.024 0.000 0.850 88 Q CB -0.381 28.352 28.738 -0.008 0.000 0.901 88 Q HN 0.592 8.862 8.270 0.000 0.000 0.422 89 S N -0.855 114.803 115.700 -0.071 0.000 2.382 89 S HA -0.229 4.240 4.470 -0.002 0.000 0.228 89 S C 1.941 176.441 174.600 -0.166 0.000 1.027 89 S CA 1.213 59.359 58.200 -0.089 0.000 0.991 89 S CB -0.436 62.722 63.200 -0.069 0.000 0.823 89 S HN 0.437 8.747 8.310 0.000 0.000 0.469 90 Q N 1.431 121.057 119.800 -0.290 0.000 2.050 90 Q HA -0.010 4.329 4.340 -0.002 0.000 0.202 90 Q C 2.029 177.822 176.000 -0.345 0.000 0.980 90 Q CA 1.809 57.322 55.803 -0.485 0.000 0.840 90 Q CB -0.572 27.489 28.738 -1.130 0.000 0.898 90 Q HN 0.568 8.838 8.270 0.000 0.000 0.424 91 I N 1.240 121.662 120.570 -0.245 0.000 2.208 91 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 91 I C 1.520 177.591 176.117 -0.078 0.000 1.097 91 I CA 1.544 62.748 61.300 -0.159 0.000 1.363 91 I CB -1.325 36.638 38.000 -0.062 0.000 1.051 91 I HN 0.297 8.507 8.210 0.000 0.000 0.413 92 D N 0.920 121.283 120.400 -0.062 0.000 2.117 92 D HA -0.150 4.489 4.640 -0.002 0.000 0.197 92 D C 2.270 178.562 176.300 -0.013 0.000 0.987 92 D CA 0.970 54.960 54.000 -0.017 0.000 0.829 92 D CB -0.076 40.712 40.800 -0.020 0.000 0.961 92 D HN 0.177 8.547 8.370 0.000 0.000 0.460 93 I N 0.846 121.379 120.570 -0.062 0.000 2.179 93 I HA -0.197 3.972 4.170 -0.002 0.000 0.242 93 I C 2.544 178.657 176.117 -0.006 0.000 1.088 93 I CA 0.776 62.047 61.300 -0.049 0.000 1.357 93 I CB -1.144 36.794 38.000 -0.104 0.000 1.051 93 I HN 0.079 8.289 8.210 0.000 0.000 0.409 94 L N 0.470 121.658 121.223 -0.058 0.000 2.079 94 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 94 L C 2.036 179.099 176.870 0.320 0.000 1.081 94 L CA 1.192 56.048 54.840 0.026 0.000 0.752 94 L CB -0.702 41.028 42.059 -0.548 0.000 0.896 94 L HN 0.311 8.541 8.230 0.000 0.000 0.433 95 N N 0.053 118.886 118.700 0.221 0.000 2.512 95 N HA -0.102 4.637 4.740 -0.002 0.000 0.183 95 N C 1.603 177.232 175.510 0.198 0.000 1.073 95 N CA 0.874 54.078 53.050 0.257 0.000 0.911 95 N CB 0.131 38.729 38.487 0.185 0.000 0.964 95 N HN 0.438 8.818 8.380 0.000 0.000 0.447 96 K N 0.259 120.751 120.400 0.154 0.000 2.121 96 K HA 0.042 4.361 4.320 -0.002 0.000 0.203 96 K C 1.080 177.765 176.600 0.142 0.000 1.041 96 K CA 0.635 56.994 56.287 0.120 0.000 0.969 96 K CB 0.167 32.711 32.500 0.074 0.000 0.799 96 K HN -0.085 8.165 8.250 0.000 0.000 0.456 97 D N 0.580 121.052 120.400 0.119 0.000 2.144 97 D HA -0.128 4.511 4.640 -0.002 0.000 0.199 97 D C 1.315 177.638 176.300 0.038 0.000 0.984 97 D CA 1.220 55.229 54.000 0.015 0.000 0.834 97 D CB -0.093 40.516 40.800 -0.318 0.000 0.955 97 D HN 0.085 8.455 8.370 0.000 0.000 0.465 98 F N 0.017 120.097 119.950 0.216 0.000 2.797 98 F HA 0.127 4.653 4.527 -0.002 0.000 0.302 98 F C 1.646 177.549 175.800 0.171 0.000 1.130 98 F CA 0.207 58.361 58.000 0.258 0.000 1.387 98 F CB 0.409 39.608 39.000 0.332 0.000 1.107 98 F HN -0.243 8.057 8.300 0.000 0.000 0.577 99 R N 0.120 120.777 120.500 0.262 0.000 2.508 99 R HA 0.095 4.434 4.340 -0.002 0.000 0.300 99 R C 0.412 176.789 176.300 0.128 0.000 0.970 99 R CA -0.221 55.981 56.100 0.170 0.000 1.102 99 R CB -0.239 30.146 30.300 0.143 0.000 1.246 99 R HN 0.104 8.374 8.270 0.000 0.000 0.539 100 K N 1.235 121.719 120.400 0.140 0.000 3.077 100 K HA -0.166 4.153 4.320 -0.002 0.000 0.264 100 K C -0.204 176.444 176.600 0.080 0.000 1.008 100 K CA 0.425 56.776 56.287 0.107 0.000 0.740 100 K CB -1.126 31.427 32.500 0.088 0.000 1.273 100 K HN 0.226 8.476 8.250 0.000 0.000 0.477 101 L N 0.763 122.038 121.223 0.086 0.000 2.808 101 L HA 0.105 4.444 4.340 -0.002 0.000 0.246 101 L C 0.434 177.338 176.870 0.057 0.000 1.153 101 L CA -0.556 54.323 54.840 0.065 0.000 0.956 101 L CB 0.039 42.139 42.059 0.068 0.000 1.270 101 L HN 0.289 8.519 8.230 0.000 0.000 0.528 102 N N 0.001 118.740 118.700 0.065 0.000 2.497 102 N HA -0.045 4.694 4.740 -0.002 0.000 0.268 102 N C 1.014 176.544 175.510 0.033 0.000 1.171 102 N CA 0.445 53.528 53.050 0.054 0.000 0.948 102 N CB 1.457 39.992 38.487 0.080 0.000 1.069 102 N HN 0.063 8.443 8.380 0.000 0.000 0.460 103 S N 0.952 116.666 115.700 0.024 0.000 2.423 103 S HA -0.220 4.249 4.470 -0.002 0.000 0.231 103 S C 0.846 175.448 174.600 0.003 0.000 1.014 103 S CA 0.961 59.169 58.200 0.012 0.000 0.965 103 S CB -0.417 62.790 63.200 0.010 0.000 0.785 103 S HN 0.725 9.035 8.310 0.000 0.000 0.495 104 D N 1.383 121.784 120.400 0.003 0.000 2.378 104 D HA 0.046 4.685 4.640 -0.002 0.000 0.227 104 D C 1.448 177.725 176.300 -0.038 0.000 1.012 104 D CA 0.108 54.100 54.000 -0.013 0.000 0.905 104 D CB -0.597 40.199 40.800 -0.007 0.000 0.895 104 D HN 0.333 8.703 8.370 0.000 0.000 0.532 105 V N 1.078 120.973 119.914 -0.032 0.000 2.688 105 V HA -0.264 3.855 4.120 -0.002 0.000 0.256 105 V C 2.165 178.226 176.094 -0.054 0.000 1.084 105 V CA 2.113 64.380 62.300 -0.055 0.000 1.103 105 V CB -0.778 31.030 31.823 -0.026 0.000 0.688 105 V HN 0.462 8.652 8.190 0.000 0.000 0.480 106 S N -0.937 114.740 115.700 -0.038 0.000 2.469 106 S HA -0.248 4.221 4.470 -0.002 0.000 0.238 106 S C 1.645 176.212 174.600 -0.055 0.000 0.998 106 S CA 1.328 59.505 58.200 -0.038 0.000 0.957 106 S CB -0.443 62.743 63.200 -0.024 0.000 0.764 106 S HN 0.788 9.098 8.310 0.000 0.000 0.514 107 Q N 0.787 120.548 119.800 -0.065 0.000 2.472 107 Q HA 0.162 4.501 4.340 -0.002 0.000 0.208 107 Q C -0.176 175.746 176.000 -0.130 0.000 0.958 107 Q CA 0.119 55.875 55.803 -0.079 0.000 0.932 107 Q CB -0.117 28.583 28.738 -0.062 0.000 1.007 107 Q HN 0.430 8.700 8.270 0.000 0.000 0.508 108 V N 3.334 123.173 119.914 -0.125 0.000 2.529 108 V HA 0.042 4.161 4.120 -0.002 0.000 0.292 108 V C -1.987 174.001 176.094 -0.176 0.000 1.028 108 V CA -1.177 61.045 62.300 -0.129 0.000 1.074 108 V CB 0.203 31.982 31.823 -0.073 0.000 0.958 108 V HN 0.077 8.267 8.190 0.000 0.000 0.481 109 P HA 0.010 4.430 4.420 0.000 0.000 0.265 109 P C 0.971 178.077 177.300 -0.324 0.000 1.187 109 P CA 0.318 63.078 63.100 -0.567 0.000 0.766 109 P CB 0.524 31.526 31.700 -1.164 0.000 0.820 110 S N 1.573 117.116 115.700 -0.262 0.000 2.419 110 S HA -0.170 4.299 4.470 -0.002 0.000 0.235 110 S C 1.719 176.219 174.600 -0.167 0.000 1.019 110 S CA 1.528 59.635 58.200 -0.154 0.000 0.982 110 S CB -1.566 61.570 63.200 -0.107 0.000 0.789 110 S HN 0.402 8.712 8.310 0.000 0.000 0.490 111 V N -3.456 116.270 119.914 -0.313 0.000 2.688 111 V HA 0.013 4.132 4.120 -0.002 0.000 0.256 111 V C 1.604 177.546 176.094 -0.254 0.000 1.084 111 V CA 1.032 63.108 62.300 -0.374 0.000 1.103 111 V CB -1.125 30.310 31.823 -0.646 0.000 0.688 111 V HN 0.696 8.886 8.190 0.000 0.000 0.480 112 W N 0.740 121.994 121.300 -0.078 0.000 2.862 112 W HA 0.411 5.070 4.660 -0.001 0.000 0.376 112 W C 2.345 178.815 176.519 -0.082 0.000 1.028 112 W CA 0.079 57.376 57.345 -0.079 0.000 1.757 112 W CB -0.568 28.823 29.460 -0.115 0.000 1.128 112 W HN 0.509 8.689 8.180 0.000 0.000 0.566 113 S N 0.024 115.777 115.700 0.089 0.000 2.474 113 S HA -0.120 4.349 4.470 -0.002 0.000 0.235 113 S C 1.173 175.797 174.600 0.040 0.000 0.997 113 S CA 0.940 59.161 58.200 0.036 0.000 0.949 113 S CB -0.271 62.923 63.200 -0.009 0.000 0.766 113 S HN 0.068 8.378 8.310 0.000 0.000 0.517 114 N N 1.035 119.769 118.700 0.057 0.000 2.336 114 N HA 0.292 5.031 4.740 -0.002 0.000 0.189 114 N C 1.033 176.576 175.510 0.055 0.000 1.113 114 N CA 0.263 53.341 53.050 0.047 0.000 0.858 114 N CB 0.019 38.531 38.487 0.043 0.000 0.970 114 N HN 0.457 8.837 8.380 0.000 0.000 0.471 115 L N 0.210 121.477 121.223 0.072 0.000 2.554 115 L HA 0.286 4.625 4.340 -0.002 0.000 0.225 115 L C 0.509 177.396 176.870 0.028 0.000 1.104 115 L CA 0.059 54.929 54.840 0.052 0.000 0.866 115 L CB 0.151 42.242 42.059 0.053 0.000 1.047 115 L HN -0.030 8.200 8.230 0.000 0.000 0.468 116 I N 0.910 121.495 120.570 0.026 0.000 2.648 116 I HA 0.081 4.250 4.170 -0.002 0.000 0.284 116 I C 0.604 176.746 176.117 0.043 0.000 1.153 116 I CA 0.038 61.348 61.300 0.017 0.000 1.426 116 I CB 0.664 38.666 38.000 0.003 0.000 1.381 116 I HN -0.007 8.203 8.210 0.000 0.000 0.571 117 A N 4.799 127.665 122.820 0.076 0.000 2.337 117 A HA 0.411 4.730 4.320 -0.002 0.000 0.329 117 A C -0.721 176.929 177.584 0.109 0.000 1.146 117 A CA -0.585 51.502 52.037 0.083 0.000 0.800 117 A CB 1.080 20.130 19.000 0.084 0.000 1.220 117 A HN 0.695 8.845 8.150 0.000 0.000 0.472 118 D N 2.448 122.896 120.400 0.081 0.000 2.347 118 D HA 0.256 4.895 4.640 -0.002 0.000 0.235 118 D C 0.669 177.013 176.300 0.074 0.000 1.149 118 D CA -0.231 53.823 54.000 0.090 0.000 0.850 118 D CB 0.512 41.353 40.800 0.069 0.000 1.061 118 D HN 0.392 8.762 8.370 0.000 0.000 0.487 119 L N 3.251 124.529 121.223 0.092 0.000 2.465 119 L HA 0.106 4.446 4.340 -0.002 0.000 0.224 119 L C 1.587 178.490 176.870 0.054 0.000 1.145 119 L CA 0.590 55.458 54.840 0.046 0.000 0.834 119 L CB -0.516 41.563 42.059 0.033 0.000 0.944 119 L HN 0.775 9.005 8.230 0.000 0.000 0.451 120 G N 1.527 110.371 108.800 0.073 0.000 2.246 120 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.273 120 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.273 120 G C -0.052 174.851 174.900 0.005 0.000 1.055 120 G CA 0.131 45.254 45.100 0.038 0.000 0.851 120 G HN 0.360 8.650 8.290 0.000 0.000 0.500 121 I N -0.420 120.165 120.570 0.025 0.000 2.545 121 I HA 0.538 4.707 4.170 -0.002 0.000 0.292 121 I C 0.063 176.066 176.117 -0.191 0.000 1.040 121 I CA -0.802 60.403 61.300 -0.158 0.000 1.068 121 I CB 2.019 39.859 38.000 -0.266 0.000 1.251 121 I HN 0.132 8.342 8.210 0.000 0.000 0.424 122 E N 4.450 124.448 120.200 -0.336 0.000 2.359 122 E HA 0.673 5.022 4.350 -0.002 0.000 0.266 122 E C -1.649 174.648 176.600 -0.504 0.000 0.920 122 E CA -0.697 55.575 56.400 -0.213 0.000 0.788 122 E CB 2.747 32.452 29.700 0.009 0.000 1.279 122 E HN 0.243 8.603 8.360 0.000 0.000 0.438 123 F N 0.968 120.925 119.950 0.011 0.000 2.588 123 F HA 0.588 5.114 4.527 -0.002 0.000 0.314 123 F C -0.661 175.205 175.800 0.109 0.000 1.069 123 F CA -0.915 57.046 58.000 -0.065 0.000 0.931 123 F CB 1.304 40.177 39.000 -0.212 0.000 1.260 123 F HN 0.370 8.670 8.300 0.000 0.000 0.465 124 F N -0.390 119.627 119.950 0.112 0.000 2.619 124 F HA 0.703 5.229 4.527 -0.001 0.000 0.308 124 F C -1.729 174.103 175.800 0.054 0.000 1.097 124 F CA -1.529 56.511 58.000 0.066 0.000 0.953 124 F CB 0.908 39.933 39.000 0.041 0.000 1.287 124 F HN 0.244 8.544 8.300 0.000 0.000 0.446 125 L N 3.371 124.670 121.223 0.126 0.000 2.462 125 L HA 0.418 4.757 4.340 -0.002 0.000 0.272 125 L C 0.913 177.875 176.870 0.154 0.000 1.166 125 L CA -0.428 54.425 54.840 0.022 0.000 0.880 125 L CB 0.636 42.713 42.059 0.030 0.000 1.142 125 L HN 0.972 9.202 8.230 0.000 0.000 0.473 126 A N 2.622 125.474 122.820 0.054 0.000 2.561 126 A HA 0.184 4.503 4.320 -0.002 0.000 0.234 126 A C 1.158 178.940 177.584 0.330 0.000 1.055 126 A CA 0.466 52.669 52.037 0.277 0.000 0.756 126 A CB 0.135 19.428 19.000 0.487 0.000 0.986 126 A HN 0.905 9.055 8.150 0.000 0.000 0.505 127 T N -1.154 113.624 114.554 0.373 0.000 2.990 127 T HA 0.219 4.568 4.350 -0.002 0.000 0.249 127 T C 0.479 175.308 174.700 0.214 0.000 1.039 127 T CA 0.173 62.421 62.100 0.247 0.000 1.036 127 T CB 0.145 69.126 68.868 0.187 0.000 0.994 127 T HN 0.520 8.760 8.240 0.000 0.000 0.489 128 K N 3.192 123.749 120.400 0.262 0.000 2.270 128 K HA 0.465 4.784 4.320 -0.002 0.000 0.255 128 K C -0.855 175.884 176.600 0.232 0.000 0.936 128 K CA -0.595 55.805 56.287 0.189 0.000 0.809 128 K CB 2.013 34.595 32.500 0.136 0.000 1.131 128 K HN 0.425 8.675 8.250 0.000 0.000 0.427 129 D N 1.274 121.684 120.400 0.016 0.000 2.451 129 D HA 0.202 4.841 4.640 -0.002 0.000 0.259 129 D C -1.852 174.252 176.300 -0.327 0.000 1.201 129 D CA -1.804 51.952 54.000 -0.406 0.000 1.028 129 D CB 0.129 40.600 40.800 -0.548 0.000 1.095 129 D HN 0.062 8.432 8.370 0.000 0.000 0.539 130 P HA 0.004 4.424 4.420 0.000 0.000 0.225 130 P C 0.096 177.297 177.300 -0.166 0.000 1.148 130 P CA 1.084 64.019 63.100 -0.274 0.000 0.779 130 P CB -0.032 31.390 31.700 -0.463 0.000 0.780 131 N N -1.746 116.831 118.700 -0.206 0.000 2.336 131 N HA 0.161 4.900 4.740 -0.002 0.000 0.189 131 N C 1.118 176.586 175.510 -0.070 0.000 1.113 131 N CA 0.544 53.524 53.050 -0.117 0.000 0.858 131 N CB 0.040 38.455 38.487 -0.120 0.000 0.970 131 N HN 0.034 8.414 8.380 0.000 0.000 0.471 132 G N 0.405 109.171 108.800 -0.057 0.000 2.176 132 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.253 132 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.253 132 G C -0.198 174.696 174.900 -0.011 0.000 0.979 132 G CA -0.422 44.669 45.100 -0.016 0.000 0.641 132 G HN 0.252 8.542 8.290 0.000 0.000 0.530 133 N N 0.921 119.601 118.700 -0.033 0.000 2.503 133 N HA 0.296 5.035 4.740 -0.002 0.000 0.267 133 N C 0.480 175.999 175.510 0.015 0.000 1.214 133 N CA -0.157 52.885 53.050 -0.013 0.000 0.959 133 N CB 0.422 38.893 38.487 -0.027 0.000 1.142 133 N HN 0.235 8.615 8.380 0.000 0.000 0.455 134 Q N 0.388 120.208 119.800 0.032 0.000 2.361 134 Q HA 0.094 4.433 4.340 -0.002 0.000 0.276 134 Q C -0.000 176.046 176.000 0.077 0.000 1.022 134 Q CA 0.741 56.579 55.803 0.059 0.000 0.898 134 Q CB 0.680 29.448 28.738 0.049 0.000 1.246 134 Q HN 0.556 8.826 8.270 0.000 0.000 0.410 135 T N -0.804 113.821 114.554 0.119 0.000 2.900 135 T HA 0.293 4.642 4.350 -0.002 0.000 0.303 135 T C 0.832 175.612 174.700 0.133 0.000 1.142 135 T CA -0.113 62.081 62.100 0.156 0.000 1.007 135 T CB 1.103 70.149 68.868 0.297 0.000 1.156 135 T HN 0.652 8.892 8.240 0.000 0.000 0.490 136 T N -0.041 114.572 114.554 0.099 0.000 3.085 136 T HA 0.305 4.654 4.350 -0.002 0.000 0.263 136 T C 1.675 176.399 174.700 0.039 0.000 1.127 136 T CA 1.060 63.197 62.100 0.061 0.000 1.103 136 T CB -0.396 68.490 68.868 0.029 0.000 0.921 136 T HN 1.719 9.959 8.240 0.000 0.000 0.510 137 G N 1.110 109.932 108.800 0.038 0.000 2.157 137 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.248 137 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.248 137 G C -0.066 174.645 174.900 -0.314 0.000 0.979 137 G CA 0.101 45.137 45.100 -0.108 0.000 0.650 137 G HN 0.655 8.945 8.290 0.000 0.000 0.529 138 I N 1.657 122.099 120.570 -0.213 0.000 2.466 138 I HA 0.502 4.671 4.170 -0.002 0.000 0.289 138 I C 0.459 176.470 176.117 -0.176 0.000 1.026 138 I CA -0.422 60.727 61.300 -0.251 0.000 1.078 138 I CB 2.234 40.150 38.000 -0.141 0.000 1.249 138 I HN 0.225 8.435 8.210 0.000 0.000 0.429 139 T N 3.059 117.477 114.554 -0.228 0.000 2.925 139 T HA 0.692 5.041 4.350 -0.002 0.000 0.285 139 T C -0.301 174.409 174.700 0.015 0.000 1.021 139 T CA -0.924 61.157 62.100 -0.031 0.000 1.042 139 T CB 1.616 70.526 68.868 0.069 0.000 1.037 139 T HN 0.546 8.786 8.240 0.000 0.000 0.481 140 R N 1.306 121.871 120.500 0.107 0.000 2.502 140 R HA 0.597 4.936 4.340 -0.002 0.000 0.300 140 R C -1.097 175.379 176.300 0.294 0.000 0.984 140 R CA -0.753 55.480 56.100 0.221 0.000 0.882 140 R CB 2.321 32.737 30.300 0.194 0.000 1.180 140 R HN 0.717 8.987 8.270 0.000 0.000 0.444 141 T N 2.393 117.111 114.554 0.273 0.000 2.881 141 T HA 0.174 4.523 4.350 -0.002 0.000 0.291 141 T C -0.726 173.783 174.700 -0.319 0.000 0.990 141 T CA -0.616 61.513 62.100 0.049 0.000 0.976 141 T CB 1.757 70.642 68.868 0.028 0.000 0.970 141 T HN 0.448 8.688 8.240 0.000 0.000 0.438 142 Q N 2.009 121.476 119.800 -0.556 0.000 2.327 142 Q HA 0.503 4.842 4.340 -0.002 0.000 0.254 142 Q C -0.479 175.174 176.000 -0.578 0.000 0.952 142 Q CA -0.076 54.989 55.803 -1.231 0.000 0.884 142 Q CB 0.845 28.859 28.738 -1.207 0.000 1.224 142 Q HN 0.641 8.911 8.270 0.000 0.000 0.422 143 T N 0.640 114.893 114.554 -0.502 0.000 2.906 143 T HA 0.300 4.649 4.350 -0.002 0.000 0.295 143 T C 0.486 175.078 174.700 -0.179 0.000 1.061 143 T CA -0.134 61.847 62.100 -0.198 0.000 1.000 143 T CB 1.357 70.243 68.868 0.029 0.000 1.103 143 T HN 0.711 8.951 8.240 0.000 0.000 0.486 144 S N 1.642 117.266 115.700 -0.126 0.000 2.548 144 S HA 0.173 4.642 4.470 -0.002 0.000 0.215 144 S C 0.712 175.236 174.600 -0.126 0.000 0.976 144 S CA -0.202 57.933 58.200 -0.109 0.000 0.908 144 S CB -0.229 62.916 63.200 -0.092 0.000 0.781 144 S HN 0.533 8.843 8.310 0.000 0.000 0.519 145 V N 3.723 123.534 119.914 -0.171 0.000 2.673 145 V HA 0.124 4.244 4.120 -0.002 0.000 0.303 145 V C 1.844 177.753 176.094 -0.308 0.000 1.046 145 V CA 0.857 62.939 62.300 -0.364 0.000 1.126 145 V CB 0.729 32.128 31.823 -0.707 0.000 0.934 145 V HN 0.712 8.902 8.190 0.000 0.000 0.487 146 T N 0.948 115.323 114.554 -0.298 0.000 3.015 146 T HA 0.267 4.616 4.350 -0.002 0.000 0.250 146 T C 0.038 174.791 174.700 0.087 0.000 1.057 146 T CA 0.192 62.275 62.100 -0.028 0.000 1.066 146 T CB 0.011 68.938 68.868 0.098 0.000 0.959 146 T HN 0.628 8.868 8.240 0.000 0.000 0.488 147 F N -0.644 119.130 119.950 -0.293 0.000 2.693 147 F HA 0.780 5.306 4.527 -0.002 0.000 0.309 147 F C -1.875 173.639 175.800 -0.476 0.000 1.129 147 F CA -2.469 55.410 58.000 -0.203 0.000 0.948 147 F CB 0.788 39.746 39.000 -0.069 0.000 1.315 147 F HN -0.137 8.163 8.300 0.000 0.000 0.447 148 F N 0.225 120.260 119.950 0.141 0.000 2.618 148 F HA 0.843 5.369 4.527 -0.002 0.000 0.332 148 F C 0.413 176.317 175.800 0.174 0.000 1.061 148 F CA -0.300 57.724 58.000 0.040 0.000 0.974 148 F CB 2.518 41.550 39.000 0.052 0.000 1.310 148 F HN 0.855 9.155 8.300 0.000 0.000 0.491 149 T N -4.265 110.455 114.554 0.277 0.000 2.804 149 T HA 0.264 4.613 4.350 -0.002 0.000 0.290 149 T C 0.644 175.284 174.700 -0.099 0.000 1.099 149 T CA -0.069 62.111 62.100 0.133 0.000 1.011 149 T CB 1.024 69.963 68.868 0.118 0.000 1.291 149 T HN 0.671 8.911 8.240 0.000 0.000 0.523 150 T N -1.112 113.218 114.554 -0.372 0.000 3.139 150 T HA -0.019 4.330 4.350 -0.002 0.000 0.267 150 T C 1.675 176.148 174.700 -0.379 0.000 1.164 150 T CA 1.039 62.603 62.100 -0.894 0.000 1.075 150 T CB -0.813 67.688 68.868 -0.611 0.000 0.904 150 T HN 0.468 8.708 8.240 0.000 0.000 0.540 151 S N 1.363 116.991 115.700 -0.121 0.000 2.607 151 S HA 0.042 4.511 4.470 -0.002 0.000 0.224 151 S C 0.390 175.040 174.600 0.083 0.000 0.969 151 S CA 0.294 58.493 58.200 -0.000 0.000 0.927 151 S CB -0.300 62.910 63.200 0.017 0.000 0.772 151 S HN 0.569 8.879 8.310 0.000 0.000 0.533 152 D N 0.166 120.635 120.400 0.116 0.000 3.091 152 D HA -0.125 4.515 4.640 -0.002 0.000 0.216 152 D C 0.518 176.917 176.300 0.166 0.000 1.129 152 D CA 0.681 54.767 54.000 0.144 0.000 0.913 152 D CB -1.455 39.452 40.800 0.178 0.000 1.101 152 D HN 0.412 8.782 8.370 0.000 0.000 0.426 153 E N 0.090 120.412 120.200 0.204 0.000 2.204 153 E HA -0.062 4.287 4.350 -0.002 0.000 0.195 153 E C 2.024 178.757 176.600 0.221 0.000 0.990 153 E CA 0.797 57.359 56.400 0.270 0.000 0.821 153 E CB 0.130 29.981 29.700 0.251 0.000 0.750 153 E HN 0.333 8.693 8.360 0.000 0.000 0.477 154 V N 0.733 120.606 119.914 -0.069 0.000 2.970 154 V HA -0.149 3.971 4.120 -0.002 0.000 0.260 154 V C 1.136 176.777 176.094 -0.756 0.000 1.100 154 V CA 1.397 63.269 62.300 -0.714 0.000 1.122 154 V CB -0.144 31.046 31.823 -1.055 0.000 0.721 154 V HN 0.173 8.363 8.190 0.000 0.000 0.483 155 K N -0.719 119.209 120.400 -0.787 0.000 2.374 155 K HA 0.219 4.538 4.320 -0.002 0.000 0.196 155 K C -0.642 175.448 176.600 -0.850 0.000 1.023 155 K CA 0.077 55.673 56.287 -1.151 0.000 1.103 155 K CB 0.291 31.949 32.500 -1.402 0.000 0.848 155 K HN 0.403 8.653 8.250 0.000 0.000 0.528 156 F N -0.965 118.909 119.950 -0.126 0.000 2.569 156 F HA 0.291 4.818 4.527 0.000 0.000 0.312 156 F C 0.940 176.738 175.800 -0.005 0.000 1.109 156 F CA -0.996 56.988 58.000 -0.027 0.000 0.919 156 F CB 1.554 40.542 39.000 -0.020 0.000 1.211 156 F HN -0.210 8.090 8.300 0.000 0.000 0.446 157 A N 1.066 124.003 122.820 0.196 0.000 1.933 157 A HA -0.151 4.168 4.320 -0.002 0.000 0.218 157 A C 2.186 179.838 177.584 0.114 0.000 1.175 157 A CA 2.158 54.266 52.037 0.119 0.000 0.628 157 A CB -0.920 18.137 19.000 0.094 0.000 0.814 157 A HN 0.793 8.943 8.150 0.000 0.000 0.444 158 S N 0.278 116.059 115.700 0.136 0.000 2.423 158 S HA -0.099 4.370 4.470 -0.002 0.000 0.231 158 S C 1.556 176.185 174.600 0.048 0.000 1.014 158 S CA 1.393 59.632 58.200 0.064 0.000 0.965 158 S CB -0.635 62.577 63.200 0.021 0.000 0.785 158 S HN 0.825 9.135 8.310 0.000 0.000 0.495 159 S N -0.102 115.660 115.700 0.102 0.000 2.582 159 S HA 0.602 5.071 4.470 -0.002 0.000 0.234 159 S C 1.236 175.917 174.600 0.136 0.000 0.961 159 S CA -0.037 58.214 58.200 0.084 0.000 0.953 159 S CB -0.017 63.246 63.200 0.104 0.000 0.800 159 S HN 1.319 9.629 8.310 0.000 0.000 0.471 160 G N -0.100 108.777 108.800 0.130 0.000 2.141 160 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.231 160 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.231 160 G C 0.434 175.487 174.900 0.255 0.000 0.984 160 G CA -0.130 45.057 45.100 0.146 0.000 0.660 160 G HN 0.985 9.275 8.290 0.000 0.000 0.525 161 G N -0.669 108.236 108.800 0.175 0.000 3.134 161 G HA2 0.678 4.638 3.960 -0.002 0.000 0.158 161 G HA3 0.678 4.638 3.960 -0.002 0.000 0.158 161 G C -0.407 174.503 174.900 0.017 0.000 1.334 161 G CA 0.592 45.686 45.100 -0.010 0.000 1.001 161 G HN 0.739 9.029 8.290 0.000 0.000 0.600 162 E N -0.130 120.082 120.200 0.020 0.000 2.304 162 E HA 0.361 4.710 4.350 -0.002 0.000 0.277 162 E C -1.590 175.023 176.600 0.021 0.000 0.898 162 E CA -0.672 55.739 56.400 0.019 0.000 0.764 162 E CB 1.476 31.155 29.700 -0.035 0.000 1.216 162 E HN 0.228 8.588 8.360 0.000 0.000 0.419 163 D N 1.899 122.293 120.400 -0.009 0.000 2.423 163 D HA 0.321 4.960 4.640 -0.002 0.000 0.238 163 D C -0.180 176.113 176.300 -0.013 0.000 1.142 163 D CA 0.250 54.251 54.000 0.002 0.000 0.884 163 D CB 0.903 41.746 40.800 0.073 0.000 1.199 163 D HN 0.545 8.915 8.370 0.000 0.000 0.438 164 A N 1.812 124.713 122.820 0.135 0.000 2.445 164 A HA 0.193 4.512 4.320 -0.002 0.000 0.242 164 A C -0.300 177.456 177.584 0.288 0.000 1.075 164 A CA -0.268 51.899 52.037 0.216 0.000 0.777 164 A CB 0.096 19.299 19.000 0.338 0.000 1.013 164 A HN 0.412 8.562 8.150 0.000 0.000 0.493 165 W N 0.750 122.029 121.300 -0.036 0.000 2.183 165 W HA 0.439 5.097 4.660 -0.002 0.000 0.348 165 W C -2.242 174.344 176.519 0.111 0.000 1.257 165 W CA -2.214 55.094 57.345 -0.062 0.000 1.324 165 W CB -0.712 28.509 29.460 -0.399 0.000 1.144 165 W HN 0.385 8.565 8.180 0.000 0.000 0.622 166 P HA -0.001 4.419 4.420 0.000 0.000 0.258 166 P C 0.345 177.887 177.300 0.404 0.000 1.187 166 P CA 0.783 64.083 63.100 0.334 0.000 0.767 166 P CB 0.286 32.142 31.700 0.260 0.000 0.770 167 A N 4.598 127.615 122.820 0.328 0.000 2.067 167 A HA -0.163 4.156 4.320 -0.002 0.000 0.219 167 A C 1.681 179.488 177.584 0.372 0.000 1.158 167 A CA 1.489 53.767 52.037 0.402 0.000 0.661 167 A CB -0.694 18.520 19.000 0.356 0.000 0.801 167 A HN 0.560 8.710 8.150 0.000 0.000 0.452 168 D N -0.860 119.618 120.400 0.131 0.000 2.347 168 D HA -0.076 4.564 4.640 -0.002 0.000 0.215 168 D C 1.541 177.489 176.300 -0.586 0.000 0.976 168 D CA 0.673 54.585 54.000 -0.145 0.000 0.884 168 D CB -0.207 40.525 40.800 -0.112 0.000 0.915 168 D HN 0.499 8.869 8.370 0.000 0.000 0.526 169 R N -1.805 118.501 120.500 -0.323 0.000 2.453 169 R HA 0.225 4.564 4.340 -0.002 0.000 0.233 169 R C -0.334 175.684 176.300 -0.471 0.000 0.895 169 R CA 0.018 55.767 56.100 -0.585 0.000 1.028 169 R CB 0.725 30.710 30.300 -0.524 0.000 1.255 169 R HN 0.079 8.349 8.270 0.000 0.000 0.571 170 Y N -0.147 120.340 120.300 0.311 0.000 2.524 170 Y HA 0.343 4.892 4.550 -0.002 0.000 0.347 170 Y C -0.862 175.240 175.900 0.337 0.000 1.005 170 Y CA -1.549 56.743 58.100 0.321 0.000 1.025 170 Y CB 1.594 40.175 38.460 0.201 0.000 1.275 170 Y HN -0.207 8.073 8.280 0.000 0.000 0.460 171 L N 4.334 125.636 121.223 0.132 0.000 2.283 171 L HA 0.382 4.721 4.340 -0.002 0.000 0.287 171 L C -0.579 176.049 176.870 -0.403 0.000 1.073 171 L CA -0.258 54.362 54.840 -0.367 0.000 0.822 171 L CB -0.124 41.419 42.059 -0.860 0.000 1.186 171 L HN 0.528 8.758 8.230 0.000 0.000 0.436 172 N N 6.953 125.423 118.700 -0.384 0.000 2.430 172 N HA 0.287 5.026 4.740 -0.002 0.000 0.265 172 N C -0.798 174.278 175.510 -0.722 0.000 1.100 172 N CA 0.073 52.704 53.050 -0.698 0.000 0.961 172 N CB 1.290 39.290 38.487 -0.812 0.000 1.075 172 N HN 0.578 8.958 8.380 0.000 0.000 0.478 173 I N 2.377 122.466 120.570 -0.801 0.000 2.411 173 I HA 0.299 4.468 4.170 -0.002 0.000 0.284 173 I C -0.139 175.638 176.117 -0.566 0.000 1.012 173 I CA -0.738 60.249 61.300 -0.523 0.000 1.119 173 I CB 1.376 39.140 38.000 -0.393 0.000 1.261 173 I HN 0.278 8.488 8.210 0.000 0.000 0.448 174 W N 5.767 126.893 121.300 -0.289 0.000 2.376 174 W HA 0.529 5.188 4.660 -0.001 0.000 0.322 174 W C -0.609 175.685 176.519 -0.374 0.000 1.160 174 W CA -0.630 56.547 57.345 -0.280 0.000 1.218 174 W CB 1.961 31.259 29.460 -0.270 0.000 1.205 174 W HN 0.098 8.278 8.180 0.000 0.000 0.559 175 V N 3.696 123.505 119.914 -0.174 0.000 2.483 175 V HA 0.339 4.458 4.120 -0.002 0.000 0.297 175 V C 0.166 176.206 176.094 -0.090 0.000 1.027 175 V CA -0.596 61.533 62.300 -0.284 0.000 0.855 175 V CB 1.140 32.608 31.823 -0.592 0.000 0.995 175 V HN 0.727 8.917 8.190 0.000 0.000 0.424 176 C N 2.093 121.387 119.300 -0.010 0.000 3.213 176 C HA 0.667 5.126 4.460 -0.002 0.000 0.319 176 C C 1.328 176.461 174.990 0.239 0.000 1.386 176 C CA -0.517 58.574 59.018 0.123 0.000 1.494 176 C CB 1.551 29.332 27.740 0.067 0.000 1.905 176 C HN 0.905 9.135 8.230 0.000 0.000 0.456 177 H N -0.309 118.895 119.070 0.224 0.000 2.384 177 H HA 0.402 4.957 4.556 -0.002 0.000 0.300 177 H C 0.225 175.663 175.328 0.183 0.000 1.057 177 H CA 1.672 57.831 56.048 0.184 0.000 1.370 177 H CB 0.207 30.081 29.762 0.187 0.000 1.417 177 H HN 0.557 8.837 8.280 0.000 0.000 0.527 178 V N 1.560 121.604 119.914 0.217 0.000 2.638 178 V HA 0.321 4.440 4.120 -0.002 0.000 0.306 178 V C -0.798 175.454 176.094 0.263 0.000 1.052 178 V CA -0.826 61.549 62.300 0.125 0.000 0.885 178 V CB 2.330 34.240 31.823 0.146 0.000 0.999 178 V HN 0.121 8.311 8.190 0.000 0.000 0.424 179 L N 4.321 125.652 121.223 0.180 0.000 2.386 179 L HA 0.652 4.991 4.340 -0.002 0.000 0.271 179 L C -0.459 176.494 176.870 0.137 0.000 0.993 179 L CA -0.582 54.395 54.840 0.229 0.000 0.819 179 L CB 2.349 44.543 42.059 0.226 0.000 1.294 179 L HN 0.588 8.818 8.230 0.000 0.000 0.414 180 K N 1.234 121.726 120.400 0.154 0.000 2.318 180 K HA 0.504 4.823 4.320 -0.002 0.000 0.249 180 K C -0.393 176.229 176.600 0.036 0.000 0.942 180 K CA -0.647 55.672 56.287 0.053 0.000 0.808 180 K CB 2.432 34.923 32.500 -0.016 0.000 1.189 180 K HN 0.662 8.912 8.250 0.000 0.000 0.428 181 S N 0.526 116.232 115.700 0.010 0.000 2.634 181 S HA 0.089 4.558 4.470 -0.002 0.000 0.261 181 S C 0.987 175.590 174.600 0.004 0.000 1.271 181 S CA -0.357 57.843 58.200 0.001 0.000 0.985 181 S CB 0.756 63.974 63.200 0.031 0.000 0.968 181 S HN 0.538 8.848 8.310 0.000 0.000 0.568 182 E N 0.722 120.924 120.200 0.003 0.000 2.130 182 E HA -0.140 4.209 4.350 -0.002 0.000 0.196 182 E C 1.557 178.168 176.600 0.019 0.000 0.998 182 E CA 1.477 57.886 56.400 0.014 0.000 0.806 182 E CB -0.669 29.042 29.700 0.017 0.000 0.738 182 E HN 0.804 9.164 8.360 0.000 0.000 0.459 183 I N -3.553 117.028 120.570 0.019 0.000 3.749 183 I HA 0.323 4.492 4.170 -0.002 0.000 0.314 183 I C 1.086 177.197 176.117 -0.010 0.000 1.278 183 I CA 0.576 61.883 61.300 0.012 0.000 1.158 183 I CB -0.254 37.759 38.000 0.022 0.000 1.018 183 I HN 0.050 8.260 8.210 0.000 0.000 0.435 184 G N 1.435 110.223 108.800 -0.020 0.000 2.148 184 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.254 184 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.254 184 G C -0.008 174.848 174.900 -0.074 0.000 0.981 184 G CA 0.310 45.372 45.100 -0.064 0.000 0.670 184 G HN 0.709 8.999 8.290 0.000 0.000 0.528 185 Q N 0.387 120.162 119.800 -0.042 0.000 2.314 185 Q HA 0.484 4.823 4.340 -0.002 0.000 0.258 185 Q C -0.109 175.859 176.000 -0.054 0.000 0.954 185 Q CA -0.338 55.436 55.803 -0.048 0.000 0.890 185 Q CB 1.032 29.754 28.738 -0.028 0.000 1.210 185 Q HN 0.345 8.615 8.270 0.000 0.000 0.410 186 D N 2.248 122.605 120.400 -0.073 0.000 2.417 186 D HA 0.226 4.866 4.640 -0.002 0.000 0.250 186 D C -0.701 175.560 176.300 -0.064 0.000 1.166 186 D CA -0.015 53.943 54.000 -0.069 0.000 0.881 186 D CB 0.437 41.189 40.800 -0.080 0.000 1.164 186 D HN 0.516 8.886 8.370 0.000 0.000 0.467 187 I N 0.020 120.570 120.570 -0.035 0.000 3.002 187 I HA 0.320 4.489 4.170 -0.002 0.000 0.310 187 I C 0.130 176.216 176.117 -0.050 0.000 1.087 187 I CA -1.070 60.204 61.300 -0.043 0.000 1.017 187 I CB 1.855 39.878 38.000 0.037 0.000 1.226 187 I HN 0.300 8.510 8.210 0.000 0.000 0.443 188 L N 1.911 123.065 121.223 -0.114 0.000 2.416 188 L HA 0.519 4.858 4.340 -0.002 0.000 0.216 188 L C 0.967 177.846 176.870 0.015 0.000 1.098 188 L CA 0.539 55.303 54.840 -0.126 0.000 0.840 188 L CB -0.105 41.753 42.059 -0.335 0.000 0.981 188 L HN 0.940 9.170 8.230 0.000 0.000 0.462 189 G N -0.979 107.888 108.800 0.111 0.000 2.466 189 G HA2 0.439 4.398 3.960 -0.002 0.000 0.291 189 G HA3 0.439 4.398 3.960 -0.002 0.000 0.291 189 G C -2.175 172.941 174.900 0.360 0.000 1.460 189 G CA -0.394 44.819 45.100 0.189 0.000 0.791 189 G HN -0.012 8.278 8.290 0.000 0.000 0.505 190 Y N -1.817 118.586 120.300 0.171 0.000 2.638 190 Y HA 0.884 5.433 4.550 -0.002 0.000 0.335 190 Y C -0.349 175.660 175.900 0.183 0.000 1.155 190 Y CA -1.028 57.197 58.100 0.208 0.000 1.046 190 Y CB 1.150 39.713 38.460 0.171 0.000 1.303 190 Y HN 1.400 9.680 8.280 0.000 0.000 0.460 191 A N 1.563 124.507 122.820 0.207 0.000 2.430 191 A HA 0.713 5.032 4.320 -0.002 0.000 0.300 191 A C -1.620 176.054 177.584 0.151 0.000 1.124 191 A CA -0.986 51.099 52.037 0.079 0.000 0.766 191 A CB 2.125 21.181 19.000 0.093 0.000 1.328 191 A HN 0.843 8.993 8.150 0.000 0.000 0.424 192 Q N 0.517 120.417 119.800 0.167 0.000 2.331 192 Q HA 0.591 4.930 4.340 -0.002 0.000 0.267 192 Q C -1.555 174.537 176.000 0.152 0.000 1.006 192 Q CA -0.484 55.457 55.803 0.229 0.000 0.818 192 Q CB 0.852 29.745 28.738 0.259 0.000 1.276 192 Q HN 0.584 8.854 8.270 0.000 0.000 0.450 193 F N 4.228 124.246 119.950 0.114 0.000 2.485 193 F HA 0.244 4.770 4.527 -0.002 0.000 0.327 193 F C -1.488 174.282 175.800 -0.049 0.000 1.203 193 F CA -1.269 56.745 58.000 0.022 0.000 1.295 193 F CB 0.084 39.095 39.000 0.019 0.000 1.191 193 F HN 0.511 8.811 8.300 0.000 0.000 0.588 194 P HA 0.119 4.539 4.420 0.000 0.000 0.269 194 P C 0.502 177.816 177.300 0.024 0.000 1.217 194 P CA 0.761 63.805 63.100 -0.092 0.000 0.783 194 P CB 0.618 32.224 31.700 -0.158 0.000 0.898 195 G N 0.003 108.809 108.800 0.010 0.000 2.194 195 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.236 195 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.236 195 G C 0.522 175.462 174.900 0.067 0.000 0.987 195 G CA -0.033 45.088 45.100 0.036 0.000 0.635 195 G HN 0.902 9.192 8.290 0.000 0.000 0.520 196 G N 0.297 109.154 108.800 0.096 0.000 2.543 196 G HA2 0.687 4.646 3.960 -0.002 0.000 0.290 196 G HA3 0.687 4.646 3.960 -0.002 0.000 0.290 196 G C -1.842 173.131 174.900 0.121 0.000 1.310 196 G CA -0.412 44.760 45.100 0.120 0.000 1.025 196 G HN 0.294 8.584 8.290 0.000 0.000 0.502 197 P HA 0.249 4.669 4.420 0.000 0.000 0.275 197 P C 0.597 177.992 177.300 0.157 0.000 1.227 197 P CA 0.119 63.300 63.100 0.134 0.000 0.781 197 P CB 1.509 33.295 31.700 0.143 0.000 0.906 198 A N 2.938 125.850 122.820 0.154 0.000 1.978 198 A HA -0.218 4.101 4.320 -0.002 0.000 0.220 198 A C 1.942 179.641 177.584 0.192 0.000 1.170 198 A CA 1.658 53.805 52.037 0.183 0.000 0.636 198 A CB -1.085 18.012 19.000 0.162 0.000 0.810 198 A HN 0.555 8.705 8.150 0.000 0.000 0.448 199 E N -0.447 119.850 120.200 0.162 0.000 2.160 199 E HA -0.124 4.225 4.350 -0.002 0.000 0.195 199 E C 1.598 178.184 176.600 -0.023 0.000 0.991 199 E CA 1.762 58.228 56.400 0.111 0.000 0.810 199 E CB -0.204 29.625 29.700 0.216 0.000 0.742 199 E HN 0.797 9.157 8.360 0.000 0.000 0.466 200 T N -2.650 111.939 114.554 0.058 0.000 3.200 200 T HA 0.169 4.518 4.350 -0.002 0.000 0.284 200 T C -0.138 174.655 174.700 0.155 0.000 1.009 200 T CA -0.461 61.620 62.100 -0.031 0.000 0.907 200 T CB -0.063 68.812 68.868 0.013 0.000 1.120 200 T HN -0.088 8.152 8.240 0.000 0.000 0.534 201 D N 0.644 121.218 120.400 0.289 0.000 2.389 201 D HA 0.535 5.174 4.640 -0.002 0.000 0.247 201 D C 0.869 177.482 176.300 0.522 0.000 1.128 201 D CA 1.416 55.651 54.000 0.392 0.000 0.884 201 D CB 0.199 41.238 40.800 0.399 0.000 1.194 201 D HN 0.563 8.933 8.370 0.000 0.000 0.441 202 G N 0.690 109.805 108.800 0.524 0.000 2.293 202 G HA2 0.269 4.228 3.960 -0.002 0.000 0.282 202 G HA3 0.269 4.228 3.960 -0.002 0.000 0.282 202 G C -1.054 173.920 174.900 0.123 0.000 1.299 202 G CA -0.387 44.841 45.100 0.214 0.000 1.018 202 G HN 1.221 9.511 8.290 0.000 0.000 0.478 203 V N -2.946 116.962 119.914 -0.011 0.000 3.007 203 V HA 0.927 5.046 4.120 -0.002 0.000 0.311 203 V C -0.307 175.762 176.094 -0.042 0.000 1.120 203 V CA -0.972 61.276 62.300 -0.087 0.000 0.980 203 V CB 1.624 33.368 31.823 -0.130 0.000 1.033 203 V HN 1.459 9.649 8.190 0.000 0.000 0.429 204 V N 4.452 124.226 119.914 -0.233 0.000 2.604 204 V HA 0.687 4.806 4.120 -0.002 0.000 0.305 204 V C -0.572 175.480 176.094 -0.071 0.000 1.043 204 V CA -0.415 61.785 62.300 -0.166 0.000 0.888 204 V CB 1.647 33.237 31.823 -0.389 0.000 0.995 204 V HN 0.807 8.997 8.190 0.000 0.000 0.429 205 I N 4.241 124.791 120.570 -0.033 0.000 2.619 205 I HA 0.395 4.564 4.170 -0.002 0.000 0.292 205 I C -0.054 176.073 176.117 0.017 0.000 1.100 205 I CA -0.737 60.590 61.300 0.045 0.000 1.043 205 I CB 2.146 40.259 38.000 0.189 0.000 1.239 205 I HN 0.535 8.745 8.210 0.000 0.000 0.420 206 V N 2.161 122.112 119.914 0.062 0.000 2.811 206 V HA 0.166 4.285 4.120 -0.002 0.000 0.302 206 V C 1.371 177.521 176.094 0.093 0.000 1.063 206 V CA -0.072 62.264 62.300 0.061 0.000 1.088 206 V CB 0.766 32.606 31.823 0.030 0.000 0.982 206 V HN 0.941 9.131 8.190 0.000 0.000 0.485 207 D N 3.492 123.958 120.400 0.110 0.000 2.144 207 D HA -0.184 4.455 4.640 -0.002 0.000 0.199 207 D C 1.673 178.093 176.300 0.200 0.000 0.984 207 D CA 1.644 55.733 54.000 0.148 0.000 0.834 207 D CB 0.101 41.002 40.800 0.168 0.000 0.955 207 D HN 0.815 9.185 8.370 0.000 0.000 0.465 208 A N 0.510 123.429 122.820 0.165 0.000 2.216 208 A HA 0.301 4.620 4.320 -0.002 0.000 0.214 208 A C 1.984 179.674 177.584 0.177 0.000 1.160 208 A CA 1.093 53.225 52.037 0.158 0.000 0.725 208 A CB -0.243 18.829 19.000 0.121 0.000 0.784 208 A HN 0.414 8.564 8.150 0.000 0.000 0.472 209 A N -1.844 121.086 122.820 0.183 0.000 2.606 209 A HA 0.579 4.898 4.320 -0.002 0.000 0.290 209 A C -0.300 177.415 177.584 0.219 0.000 1.174 209 A CA -0.305 51.846 52.037 0.190 0.000 0.958 209 A CB -0.016 19.028 19.000 0.073 0.000 1.194 209 A HN 0.326 8.476 8.150 0.000 0.000 0.526 210 F N 0.528 120.502 119.950 0.040 0.000 2.477 210 F HA 0.550 5.076 4.527 -0.001 0.000 0.335 210 F C 0.703 176.506 175.800 0.003 0.000 1.130 210 F CA 0.488 58.491 58.000 0.006 0.000 0.948 210 F CB 1.214 40.208 39.000 -0.009 0.000 1.154 210 F HN 0.634 8.934 8.300 0.000 0.000 0.439 211 G N 3.628 112.176 108.800 -0.419 0.000 2.741 211 G HA2 -0.112 3.847 3.960 -0.002 0.000 0.222 211 G HA3 -0.112 3.847 3.960 -0.002 0.000 0.222 211 G C 0.157 174.999 174.900 -0.097 0.000 1.364 211 G CA -0.103 44.830 45.100 -0.279 0.000 0.866 211 G HN 1.365 9.655 8.290 0.000 0.000 0.555 212 T N -3.743 110.774 114.554 -0.062 0.000 3.275 212 T HA 0.626 4.975 4.350 -0.002 0.000 0.298 212 T C 0.420 175.115 174.700 -0.007 0.000 0.988 212 T CA 1.260 63.343 62.100 -0.028 0.000 0.936 212 T CB 0.612 69.459 68.868 -0.036 0.000 1.159 212 T HN 1.769 10.009 8.240 0.000 0.000 0.519 213 T N -0.990 113.566 114.554 0.004 0.000 2.665 213 T HA 0.613 4.962 4.350 -0.002 0.000 0.303 213 T C 0.666 175.384 174.700 0.030 0.000 1.334 213 T CA 0.916 63.024 62.100 0.013 0.000 1.011 213 T CB 1.086 69.956 68.868 0.003 0.000 1.573 213 T HN 1.059 9.299 8.240 0.000 0.000 0.492 214 G N 1.126 109.942 108.800 0.026 0.000 2.543 214 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.286 214 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.286 214 G C 1.148 176.077 174.900 0.048 0.000 1.153 214 G CA 1.521 46.640 45.100 0.032 0.000 0.968 214 G HN 1.912 10.202 8.290 0.000 0.000 0.544 215 T N -0.160 114.436 114.554 0.070 0.000 3.100 215 T HA 0.585 4.934 4.350 -0.002 0.000 0.253 215 T C 1.320 176.085 174.700 0.108 0.000 1.118 215 T CA 1.435 63.590 62.100 0.092 0.000 1.058 215 T CB -0.171 68.768 68.868 0.118 0.000 0.953 215 T HN 2.075 10.315 8.240 0.000 0.000 0.515 216 A N 1.515 124.397 122.820 0.102 0.000 2.546 216 A HA 0.555 4.874 4.320 -0.002 0.000 0.243 216 A C -0.086 177.549 177.584 0.086 0.000 1.063 216 A CA -0.073 52.028 52.037 0.106 0.000 0.757 216 A CB -0.244 18.804 19.000 0.081 0.000 0.991 216 A HN 0.636 8.786 8.150 0.000 0.000 0.503 217 L N 4.677 125.962 121.223 0.104 0.000 2.386 217 L HA 0.450 4.789 4.340 -0.002 0.000 0.271 217 L C -2.138 174.757 176.870 0.042 0.000 0.993 217 L CA -2.287 52.595 54.840 0.070 0.000 0.819 217 L CB 2.616 44.721 42.059 0.078 0.000 1.294 217 L HN 0.510 8.740 8.230 0.000 0.000 0.414 218 P HA 0.055 4.475 4.420 0.000 0.000 0.267 218 P C -2.339 174.831 177.300 -0.217 0.000 1.200 218 P CA -0.864 62.169 63.100 -0.111 0.000 0.772 218 P CB 0.122 31.770 31.700 -0.086 0.000 0.855 219 P HA 0.209 4.629 4.420 0.000 0.000 0.258 219 P C -0.445 176.487 177.300 -0.614 0.000 1.416 219 P CA 0.148 62.897 63.100 -0.585 0.000 0.927 219 P CB -0.148 31.131 31.700 -0.701 0.000 1.444 220 F N 1.516 121.477 119.950 0.020 0.000 2.963 220 F HA 0.211 4.738 4.527 -0.001 0.000 0.321 220 F C 0.760 176.572 175.800 0.019 0.000 1.234 220 F CA -0.929 57.084 58.000 0.023 0.000 1.296 220 F CB 0.093 39.108 39.000 0.025 0.000 0.981 220 F HN -0.095 8.205 8.300 0.000 0.000 0.507 221 D N -1.122 119.337 120.400 0.099 0.000 2.571 221 D HA 0.081 4.720 4.640 -0.002 0.000 0.239 221 D C 0.641 176.956 176.300 0.026 0.000 1.267 221 D CA -0.072 53.962 54.000 0.058 0.000 0.823 221 D CB -0.037 40.780 40.800 0.028 0.000 1.056 221 D HN 0.265 8.635 8.370 0.000 0.000 0.494 222 K N 0.105 120.528 120.400 0.037 0.000 2.478 222 K HA 0.360 4.680 4.320 -0.002 0.000 0.205 222 K C 0.837 177.432 176.600 -0.008 0.000 1.033 222 K CA 0.151 56.446 56.287 0.014 0.000 1.091 222 K CB 1.147 33.664 32.500 0.027 0.000 0.844 222 K HN 0.162 8.412 8.250 0.000 0.000 0.507 223 G N 1.875 110.658 108.800 -0.028 0.000 2.148 223 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.254 223 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.254 223 G C 0.819 175.676 174.900 -0.072 0.000 0.981 223 G CA 0.272 45.303 45.100 -0.115 0.000 0.670 223 G HN 0.210 8.500 8.290 0.000 0.000 0.528 224 R N -0.072 120.443 120.500 0.025 0.000 2.246 224 R HA 0.247 4.586 4.340 -0.002 0.000 0.199 224 R C 2.657 179.013 176.300 0.094 0.000 0.984 224 R CA 1.430 57.560 56.100 0.050 0.000 1.015 224 R CB -0.559 29.834 30.300 0.156 0.000 0.930 224 R HN 0.403 8.673 8.270 0.000 0.000 0.475 225 T N 0.207 114.818 114.554 0.094 0.000 2.684 225 T HA -0.168 4.181 4.350 -0.002 0.000 0.267 225 T C 1.871 176.647 174.700 0.127 0.000 1.036 225 T CA 1.604 63.761 62.100 0.095 0.000 1.148 225 T CB -0.326 68.570 68.868 0.046 0.000 0.863 225 T HN 0.342 8.582 8.240 0.000 0.000 0.436 226 A N 1.239 124.093 122.820 0.058 0.000 1.902 226 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 226 A C 2.564 180.163 177.584 0.024 0.000 1.181 226 A CA 2.118 54.163 52.037 0.014 0.000 0.623 226 A CB -1.293 17.638 19.000 -0.115 0.000 0.818 226 A HN 0.476 8.626 8.150 0.000 0.000 0.443 227 T N -1.310 113.252 114.554 0.014 0.000 2.684 227 T HA -0.193 4.156 4.350 -0.002 0.000 0.267 227 T C 1.840 176.619 174.700 0.132 0.000 1.036 227 T CA 1.939 64.072 62.100 0.055 0.000 1.148 227 T CB -0.458 68.155 68.868 -0.425 0.000 0.863 227 T HN 0.835 9.075 8.240 0.000 0.000 0.436 228 H N 1.083 120.159 119.070 0.009 0.000 2.321 228 H HA -0.058 4.497 4.556 -0.002 0.000 0.300 228 H C 2.288 177.600 175.328 -0.026 0.000 1.087 228 H CA 1.647 57.725 56.048 0.050 0.000 1.319 228 H CB 0.085 29.932 29.762 0.142 0.000 1.379 228 H HN 0.139 8.419 8.280 0.000 0.000 0.501 229 E N 0.371 120.701 120.200 0.217 0.000 2.107 229 E HA -0.098 4.251 4.350 -0.002 0.000 0.191 229 E C 2.481 179.123 176.600 0.069 0.000 0.982 229 E CA 0.936 57.439 56.400 0.171 0.000 0.809 229 E CB -0.092 29.732 29.700 0.207 0.000 0.756 229 E HN 0.628 8.988 8.360 0.000 0.000 0.459 230 I N 0.768 121.387 120.570 0.080 0.000 2.493 230 I HA -0.141 4.028 4.170 -0.002 0.000 0.254 230 I C 2.384 178.645 176.117 0.240 0.000 1.160 230 I CA 0.959 62.324 61.300 0.109 0.000 1.445 230 I CB -0.427 37.508 38.000 -0.108 0.000 1.086 230 I HN 0.089 8.299 8.210 0.000 0.000 0.433 231 G N 0.440 109.374 108.800 0.224 0.000 2.476 231 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.218 231 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.218 231 G C 1.509 176.341 174.900 -0.114 0.000 1.164 231 G CA 0.861 46.006 45.100 0.074 0.000 0.768 231 G HN 0.352 8.642 8.290 0.000 0.000 0.560 232 H N -1.291 117.662 119.070 -0.195 0.000 2.353 232 H HA -0.080 4.475 4.556 -0.001 0.000 0.300 232 H C 2.154 177.144 175.328 -0.563 0.000 1.090 232 H CA 1.103 56.781 56.048 -0.617 0.000 1.327 232 H CB -0.609 28.681 29.762 -0.787 0.000 1.383 232 H HN 0.580 8.860 8.280 0.000 0.000 0.508 233 W N 1.482 122.616 121.300 -0.277 0.000 2.364 233 W HA -0.118 4.540 4.660 -0.002 0.000 0.281 233 W C 1.305 177.734 176.519 -0.149 0.000 1.219 233 W CA 1.069 58.297 57.345 -0.194 0.000 1.220 233 W CB -0.299 29.081 29.460 -0.134 0.000 1.127 233 W HN 0.054 8.234 8.180 0.000 0.000 0.556 234 L N 1.005 122.209 121.223 -0.031 0.000 2.685 234 L HA 0.144 4.483 4.340 -0.002 0.000 0.233 234 L C 1.047 177.821 176.870 -0.160 0.000 1.173 234 L CA 0.284 55.034 54.840 -0.151 0.000 0.961 234 L CB -0.911 41.130 42.059 -0.029 0.000 1.217 234 L HN 0.156 8.386 8.230 0.000 0.000 0.478 235 N N 0.291 118.912 118.700 -0.132 0.000 2.937 235 N HA -0.142 4.597 4.740 -0.002 0.000 0.248 235 N C -0.336 175.039 175.510 -0.225 0.000 1.069 235 N CA -0.082 52.922 53.050 -0.077 0.000 0.822 235 N CB -0.588 37.829 38.487 -0.118 0.000 1.122 235 N HN 0.222 8.602 8.380 0.000 0.000 0.554 236 L N 1.282 122.417 121.223 -0.147 0.000 2.322 236 L HA 0.487 4.826 4.340 -0.002 0.000 0.279 236 L C -0.092 176.804 176.870 0.044 0.000 1.036 236 L CA -0.643 54.106 54.840 -0.152 0.000 0.807 236 L CB 0.874 42.888 42.059 -0.074 0.000 1.226 236 L HN 0.014 8.243 8.230 0.000 0.000 0.433 237 Y N -0.378 120.035 120.300 0.188 0.000 2.457 237 Y HA 0.294 4.843 4.550 -0.002 0.000 0.333 237 Y C 0.362 176.239 175.900 -0.039 0.000 1.119 237 Y CA -0.954 57.207 58.100 0.103 0.000 1.143 237 Y CB 0.981 39.403 38.460 -0.064 0.000 1.230 237 Y HN 0.462 8.742 8.280 0.000 0.000 0.469 238 H N 2.462 121.556 119.070 0.041 0.000 3.209 238 H HA -0.158 4.397 4.556 -0.002 0.000 0.297 238 H C 1.182 176.194 175.328 -0.526 0.000 0.936 238 H CA 0.329 56.028 56.048 -0.583 0.000 1.392 238 H CB 0.702 29.444 29.762 -1.699 0.000 1.349 238 H HN 0.714 8.994 8.280 0.000 0.000 0.568 239 I N 3.646 124.152 120.570 -0.107 0.000 2.423 239 I HA -0.267 3.902 4.170 -0.002 0.000 0.254 239 I C 1.589 177.734 176.117 0.047 0.000 1.151 239 I CA 1.259 62.571 61.300 0.020 0.000 1.421 239 I CB -0.049 38.011 38.000 0.101 0.000 1.079 239 I HN 0.763 8.973 8.210 0.000 0.000 0.431 240 W N 0.385 121.705 121.300 0.034 0.000 2.905 240 W HA 0.405 5.063 4.660 -0.002 0.000 0.251 240 W C 1.365 177.895 176.519 0.017 0.000 1.305 240 W CA 0.447 57.796 57.345 0.008 0.000 1.465 240 W CB -0.762 28.674 29.460 -0.039 0.000 1.122 240 W HN 0.146 8.326 8.180 0.000 0.000 0.659 241 G N 0.632 109.165 108.800 -0.445 0.000 2.179 241 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.220 241 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.220 241 G C 0.215 174.942 174.900 -0.288 0.000 0.990 241 G CA -0.099 44.837 45.100 -0.273 0.000 0.646 241 G HN 0.276 8.566 8.290 0.000 0.000 0.517 242 D N 0.406 120.561 120.400 -0.409 0.000 2.746 242 D HA -0.127 4.512 4.640 -0.002 0.000 0.236 242 D C 0.500 176.835 176.300 0.060 0.000 1.129 242 D CA 1.757 55.732 54.000 -0.041 0.000 0.691 242 D CB -0.954 39.783 40.800 -0.105 0.000 1.077 242 D HN 0.787 9.157 8.370 0.000 0.000 0.432 243 E N -0.163 120.103 120.200 0.111 0.000 2.437 243 E HA 0.225 4.574 4.350 -0.002 0.000 0.263 243 E C 0.835 177.420 176.600 -0.026 0.000 1.030 243 E CA 0.173 56.572 56.400 -0.002 0.000 0.934 243 E CB 0.623 30.326 29.700 0.006 0.000 0.943 243 E HN 0.281 8.641 8.360 0.000 0.000 0.444 244 L N 2.730 123.824 121.223 -0.214 0.000 2.418 244 L HA 0.253 4.592 4.340 -0.002 0.000 0.265 244 L C 1.975 178.685 176.870 -0.267 0.000 1.143 244 L CA -0.391 54.305 54.840 -0.240 0.000 0.809 244 L CB 0.535 42.337 42.059 -0.428 0.000 1.124 244 L HN 0.541 8.771 8.230 0.000 0.000 0.456 245 R N 1.385 121.850 120.500 -0.059 0.000 2.170 245 R HA -0.200 4.139 4.340 -0.002 0.000 0.242 245 R C 1.852 178.168 176.300 0.026 0.000 1.145 245 R CA 1.918 58.029 56.100 0.018 0.000 0.984 245 R CB -0.231 30.124 30.300 0.092 0.000 0.869 245 R HN 0.726 8.996 8.270 0.000 0.000 0.455 246 F N -0.033 119.944 119.950 0.046 0.000 2.780 246 F HA 0.287 4.813 4.527 -0.002 0.000 0.299 246 F C -0.019 175.802 175.800 0.036 0.000 1.146 246 F CA -0.486 57.535 58.000 0.036 0.000 1.428 246 F CB -0.136 38.881 39.000 0.029 0.000 1.115 246 F HN -0.199 8.101 8.300 0.000 0.000 0.583 247 E N 1.208 121.120 120.200 -0.481 0.000 2.283 247 E HA 0.047 4.396 4.350 -0.002 0.000 0.267 247 E C -0.634 175.910 176.600 -0.094 0.000 1.045 247 E CA -0.871 55.353 56.400 -0.295 0.000 0.884 247 E CB 0.687 30.122 29.700 -0.441 0.000 1.106 247 E HN 0.080 8.440 8.360 0.000 0.000 0.408 248 D N 2.418 122.799 120.400 -0.031 0.000 2.458 248 D HA -0.020 4.619 4.640 -0.002 0.000 0.243 248 D C -1.529 174.772 176.300 0.002 0.000 1.146 248 D CA -1.425 52.577 54.000 0.003 0.000 0.877 248 D CB 0.954 41.764 40.800 0.017 0.000 1.176 248 D HN 0.134 8.504 8.370 0.000 0.000 0.461 249 P HA -0.002 4.418 4.420 0.000 0.000 0.239 249 P C 0.727 178.066 177.300 0.064 0.000 1.184 249 P CA 0.295 63.423 63.100 0.046 0.000 0.760 249 P CB 0.071 31.802 31.700 0.052 0.000 0.884 250 c N -0.596 118.032 118.600 0.046 0.000 2.974 250 c HA 0.163 4.732 4.570 -0.002 0.000 0.282 250 c C 2.430 176.540 174.090 0.033 0.000 1.292 250 c CA 0.485 56.844 56.329 0.050 0.000 1.710 250 c CB -1.355 41.183 42.510 0.046 0.000 2.036 250 c HN 0.325 8.555 8.230 0.000 0.000 0.629 251 S N 0.054 115.765 115.700 0.018 0.000 2.486 251 S HA 0.154 4.623 4.470 -0.002 0.000 0.220 251 S C 0.680 175.273 174.600 -0.012 0.000 1.011 251 S CA 0.208 58.409 58.200 0.003 0.000 0.921 251 S CB 0.207 63.402 63.200 -0.008 0.000 0.785 251 S HN 0.609 8.919 8.310 0.000 0.000 0.517 252 R N 1.202 121.693 120.500 -0.015 0.000 2.604 252 R HA 0.616 4.955 4.340 -0.002 0.000 0.287 252 R C -0.737 175.536 176.300 -0.045 0.000 0.970 252 R CA -0.243 55.828 56.100 -0.049 0.000 0.946 252 R CB 1.709 31.960 30.300 -0.083 0.000 1.127 252 R HN 0.251 8.521 8.270 0.000 0.000 0.473 253 S N 0.346 116.005 115.700 -0.070 0.000 2.549 253 S HA 0.085 4.554 4.470 -0.002 0.000 0.297 253 S C 0.322 174.877 174.600 -0.076 0.000 1.115 253 S CA -0.853 57.318 58.200 -0.049 0.000 1.059 253 S CB 1.144 64.326 63.200 -0.029 0.000 1.046 253 S HN 0.700 9.010 8.310 0.000 0.000 0.506 254 D N 2.315 122.703 120.400 -0.021 0.000 2.328 254 D HA 0.041 4.680 4.640 -0.002 0.000 0.226 254 D C 0.112 176.508 176.300 0.160 0.000 1.066 254 D CA 0.175 54.212 54.000 0.061 0.000 0.861 254 D CB -0.284 40.547 40.800 0.053 0.000 0.912 254 D HN 0.730 9.100 8.370 0.000 0.000 0.521 255 E N -1.464 118.783 120.200 0.079 0.000 3.286 255 E HA -0.150 4.199 4.350 -0.002 0.000 0.292 255 E C -0.646 175.988 176.600 0.057 0.000 0.928 255 E CA 0.505 56.953 56.400 0.080 0.000 0.982 255 E CB -2.048 27.742 29.700 0.150 0.000 1.500 255 E HN 0.284 8.644 8.360 0.000 0.000 0.441 256 V N 1.622 121.561 119.914 0.042 0.000 2.407 256 V HA 0.119 4.238 4.120 -0.002 0.000 0.291 256 V C 1.008 177.107 176.094 0.009 0.000 1.018 256 V CA -0.461 61.852 62.300 0.020 0.000 0.842 256 V CB 1.843 33.674 31.823 0.014 0.000 0.996 256 V HN -0.087 8.103 8.190 0.000 0.000 0.426 257 D N 2.804 123.210 120.400 0.009 0.000 2.144 257 D HA -0.144 4.495 4.640 -0.002 0.000 0.199 257 D C 1.538 177.841 176.300 0.006 0.000 0.984 257 D CA 1.765 55.772 54.000 0.012 0.000 0.834 257 D CB 0.097 40.907 40.800 0.017 0.000 0.955 257 D HN 0.848 9.218 8.370 0.000 0.000 0.465 258 D N -0.030 120.365 120.400 -0.009 0.000 2.340 258 D HA -0.061 4.578 4.640 -0.002 0.000 0.220 258 D C 0.010 176.246 176.300 -0.107 0.000 1.039 258 D CA 0.069 54.053 54.000 -0.025 0.000 0.866 258 D CB -0.700 40.092 40.800 -0.012 0.000 0.913 258 D HN 0.056 8.426 8.370 0.000 0.000 0.523 259 T N -1.232 113.263 114.554 -0.098 0.000 2.744 259 T HA 0.509 4.858 4.350 -0.002 0.000 0.291 259 T C -2.700 171.948 174.700 -0.087 0.000 0.957 259 T CA -2.060 59.944 62.100 -0.159 0.000 1.002 259 T CB 1.468 70.274 68.868 -0.103 0.000 0.919 259 T HN -0.222 8.018 8.240 0.000 0.000 0.468 260 P HA 0.099 4.519 4.420 0.000 0.000 0.266 260 P C 0.202 177.531 177.300 0.048 0.000 1.195 260 P CA -0.303 62.813 63.100 0.027 0.000 0.768 260 P CB 0.320 32.081 31.700 0.102 0.000 0.838 261 N N 2.682 121.422 118.700 0.067 0.000 2.292 261 N HA -0.082 4.657 4.740 -0.002 0.000 0.258 261 N C -0.447 175.127 175.510 0.108 0.000 1.261 261 N CA 0.821 53.916 53.050 0.075 0.000 0.845 261 N CB 0.019 38.546 38.487 0.067 0.000 1.064 261 N HN 0.371 8.751 8.380 0.000 0.000 0.471 262 Q N 2.516 122.393 119.800 0.129 0.000 2.331 262 Q HA 0.588 4.927 4.340 -0.002 0.000 0.272 262 Q C -0.105 176.008 176.000 0.189 0.000 1.062 262 Q CA -0.854 55.054 55.803 0.175 0.000 0.806 262 Q CB 1.459 30.323 28.738 0.211 0.000 1.312 262 Q HN 0.610 8.880 8.270 0.000 0.000 0.431 263 A N 3.739 126.656 122.820 0.161 0.000 1.821 263 A HA -0.033 4.286 4.320 -0.002 0.000 0.215 263 A C 0.181 177.861 177.584 0.160 0.000 1.216 263 A CA 1.619 53.737 52.037 0.135 0.000 0.615 263 A CB -0.146 18.912 19.000 0.097 0.000 0.862 263 A HN 0.830 8.980 8.150 0.000 0.000 0.450 264 D N -1.641 118.789 120.400 0.049 0.000 2.450 264 D HA 0.471 5.110 4.640 -0.002 0.000 0.238 264 D C -2.848 173.110 176.300 -0.571 0.000 1.020 264 D CA -1.584 52.281 54.000 -0.225 0.000 1.010 264 D CB 0.936 41.634 40.800 -0.171 0.000 1.342 264 D HN 0.054 8.424 8.370 0.000 0.000 0.530 265 P HA 0.016 4.436 4.420 0.000 0.000 0.267 265 P C -0.503 176.240 177.300 -0.929 0.000 1.200 265 P CA -0.143 61.953 63.100 -1.674 0.000 0.772 265 P CB 0.805 31.114 31.700 -2.318 0.000 0.855 266 N N 1.967 120.233 118.700 -0.723 0.000 2.456 266 N HA 0.387 5.126 4.740 -0.002 0.000 0.288 266 N C -0.320 174.790 175.510 -0.665 0.000 1.059 266 N CA -0.097 52.615 53.050 -0.563 0.000 0.946 266 N CB 0.645 38.893 38.487 -0.398 0.000 1.150 266 N HN 0.316 8.696 8.380 0.000 0.000 0.479 267 F N -0.229 119.653 119.950 -0.113 0.000 2.594 267 F HA 0.587 5.113 4.527 -0.002 0.000 0.335 267 F C 1.488 177.251 175.800 -0.061 0.000 1.058 267 F CA -0.087 57.893 58.000 -0.034 0.000 0.981 267 F CB 0.937 39.918 39.000 -0.033 0.000 1.289 267 F HN 0.619 8.919 8.300 0.000 0.000 0.490 268 G N -0.249 108.672 108.800 0.201 0.000 2.550 268 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.277 268 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.277 268 G C -0.964 173.943 174.900 0.011 0.000 1.190 268 G CA -0.141 44.996 45.100 0.062 0.000 0.971 268 G HN 1.068 9.358 8.290 0.000 0.000 0.559 269 c N 2.761 121.337 118.600 -0.040 0.000 2.801 269 c HA 0.667 5.236 4.570 -0.002 0.000 0.296 269 c C -2.086 171.897 174.090 -0.179 0.000 1.054 269 c CA -1.087 55.208 56.329 -0.058 0.000 1.442 269 c CB -0.090 42.434 42.510 0.025 0.000 1.860 269 c HN 0.693 8.923 8.230 0.000 0.000 0.459 270 P HA 0.154 4.574 4.420 0.000 0.000 0.268 270 P C -0.235 176.814 177.300 -0.418 0.000 1.208 270 P CA 0.398 63.122 63.100 -0.628 0.000 0.777 270 P CB 0.572 31.436 31.700 -1.393 0.000 0.875 271 S N 1.522 117.140 115.700 -0.137 0.000 2.565 271 S HA 0.221 4.690 4.470 -0.002 0.000 0.276 271 S C -0.533 174.211 174.600 0.240 0.000 1.326 271 S CA -0.594 57.652 58.200 0.077 0.000 1.045 271 S CB 0.109 63.347 63.200 0.063 0.000 0.918 271 S HN 0.426 8.736 8.310 0.000 0.000 0.505 272 Y N 4.008 124.522 120.300 0.357 0.000 2.304 272 Y HA 0.534 5.083 4.550 -0.002 0.000 0.328 272 Y C -2.174 173.843 175.900 0.195 0.000 1.123 272 Y CA -2.156 56.208 58.100 0.440 0.000 1.218 272 Y CB 0.542 39.218 38.460 0.360 0.000 1.207 272 Y HN 0.579 8.859 8.280 0.000 0.000 0.495 273 P HA 0.142 4.562 4.420 0.000 0.000 0.282 273 P C -1.537 175.803 177.300 0.066 0.000 1.249 273 P CA -0.132 62.694 63.100 -0.455 0.000 0.806 273 P CB 0.991 32.336 31.700 -0.592 0.000 0.984 274 H N 2.209 121.424 119.070 0.242 0.000 2.725 274 H HA 0.318 4.873 4.556 -0.002 0.000 0.283 274 H C -1.098 174.326 175.328 0.160 0.000 1.110 274 H CA -0.513 55.617 56.048 0.135 0.000 1.289 274 H CB 0.771 30.565 29.762 0.053 0.000 1.400 274 H HN 0.040 8.320 8.280 0.000 0.000 0.493 275 V N 4.574 124.378 119.914 -0.183 0.000 2.607 275 V HA 0.309 4.428 4.120 -0.002 0.000 0.289 275 V C 0.274 176.304 176.094 -0.106 0.000 1.053 275 V CA -0.045 62.223 62.300 -0.053 0.000 0.996 275 V CB 1.437 33.226 31.823 -0.056 0.000 0.995 275 V HN 0.924 9.114 8.190 0.000 0.000 0.476 276 S N 1.683 117.407 115.700 0.040 0.000 2.625 276 S HA 0.358 4.827 4.470 -0.002 0.000 0.271 276 S C -0.179 174.464 174.600 0.070 0.000 1.161 276 S CA -0.169 58.058 58.200 0.046 0.000 0.820 276 S CB 1.324 64.592 63.200 0.112 0.000 1.137 276 S HN 1.141 9.451 8.310 0.000 0.000 0.470 277 c N 1.365 120.000 118.600 0.059 0.000 4.274 277 c HA -0.138 4.431 4.570 -0.002 0.000 0.297 277 c C 1.138 175.261 174.090 0.055 0.000 1.446 277 c CA 0.683 57.048 56.329 0.061 0.000 2.016 277 c CB -3.333 39.224 42.510 0.078 0.000 1.273 277 c HN 1.812 10.042 8.230 0.000 0.000 0.782 278 S N -0.710 115.015 115.700 0.042 0.000 3.581 278 S HA -0.270 4.199 4.470 -0.002 0.000 0.354 278 S C 0.602 175.234 174.600 0.054 0.000 1.059 278 S CA 1.240 59.462 58.200 0.037 0.000 1.060 278 S CB -0.896 62.323 63.200 0.031 0.000 0.908 278 S HN 1.114 9.424 8.310 0.000 0.000 0.475 279 N N 0.701 119.446 118.700 0.075 0.000 2.295 279 N HA 0.305 5.044 4.740 -0.002 0.000 0.221 279 N C 0.551 176.128 175.510 0.112 0.000 1.129 279 N CA 0.365 53.481 53.050 0.110 0.000 0.836 279 N CB -0.264 38.314 38.487 0.152 0.000 1.040 279 N HN 0.495 8.875 8.380 0.000 0.000 0.494 280 G N 1.060 109.897 108.800 0.063 0.000 2.636 280 G HA2 0.268 4.227 3.960 -0.002 0.000 0.246 280 G HA3 0.268 4.227 3.960 -0.002 0.000 0.246 280 G C -1.048 173.871 174.900 0.031 0.000 1.216 280 G CA -0.882 44.237 45.100 0.032 0.000 0.854 280 G HN 0.164 8.454 8.290 0.000 0.000 0.572 281 P HA -0.001 4.419 4.420 0.000 0.000 0.235 281 P C 1.007 178.263 177.300 -0.072 0.000 1.177 281 P CA 0.277 63.351 63.100 -0.043 0.000 0.785 281 P CB 0.444 32.110 31.700 -0.057 0.000 0.885 282 N N 0.344 119.037 118.700 -0.012 0.000 2.216 282 N HA 0.016 4.755 4.740 -0.002 0.000 0.183 282 N C 1.460 177.089 175.510 0.198 0.000 1.017 282 N CA 1.538 54.572 53.050 -0.027 0.000 0.861 282 N CB -0.645 37.786 38.487 -0.094 0.000 0.986 282 N HN 0.253 8.633 8.380 0.000 0.000 0.428 283 G N 0.771 109.745 108.800 0.290 0.000 2.681 283 G HA2 -0.226 3.734 3.960 -0.002 0.000 0.220 283 G HA3 -0.226 3.734 3.960 -0.002 0.000 0.220 283 G C -1.230 174.003 174.900 0.555 0.000 1.353 283 G CA -0.410 44.900 45.100 0.350 0.000 0.872 283 G HN 0.184 8.474 8.290 0.000 0.000 0.557 284 D N 0.239 120.956 120.400 0.528 0.000 2.443 284 D HA 0.272 4.911 4.640 -0.002 0.000 0.239 284 D C 1.149 177.650 176.300 0.335 0.000 1.136 284 D CA 0.180 54.436 54.000 0.426 0.000 0.879 284 D CB 0.773 41.875 40.800 0.504 0.000 1.195 284 D HN 0.508 8.878 8.370 0.000 0.000 0.443 285 M N 3.907 123.423 119.600 -0.140 0.000 3.596 285 M HA 0.070 4.549 4.480 -0.002 0.000 0.219 285 M C 0.186 176.319 176.300 -0.278 0.000 1.471 285 M CA -0.439 54.497 55.300 -0.607 0.000 1.644 285 M CB -0.446 31.553 32.600 -1.001 0.000 1.083 285 M HN 0.386 8.676 8.290 0.000 0.000 0.579 286 F N 1.366 121.320 119.950 0.006 0.000 2.699 286 F HA -0.024 4.502 4.527 -0.002 0.000 0.298 286 F C 1.540 177.314 175.800 -0.043 0.000 1.154 286 F CA 0.120 58.110 58.000 -0.016 0.000 1.457 286 F CB -0.598 38.387 39.000 -0.024 0.000 1.106 286 F HN 0.452 8.752 8.300 0.000 0.000 0.585 287 M N 0.386 119.714 119.600 -0.454 0.000 2.494 287 M HA 0.208 4.687 4.480 -0.002 0.000 0.232 287 M C -0.421 175.651 176.300 -0.380 0.000 1.137 287 M CA 0.274 55.379 55.300 -0.324 0.000 1.012 287 M CB -1.875 30.472 32.600 -0.422 0.000 1.567 287 M HN 0.229 8.519 8.290 0.000 0.000 0.486 288 N N 0.807 119.307 118.700 -0.333 0.000 2.518 288 N HA 0.079 4.818 4.740 -0.002 0.000 0.266 288 N C 0.150 175.507 175.510 -0.256 0.000 1.196 288 N CA -0.058 52.775 53.050 -0.362 0.000 0.947 288 N CB 0.519 38.866 38.487 -0.234 0.000 1.098 288 N HN 0.171 8.551 8.380 0.000 0.000 0.450 289 Y N 0.823 120.935 120.300 -0.313 0.000 2.384 289 Y HA -0.175 4.374 4.550 -0.002 0.000 0.289 289 Y C 1.812 177.743 175.900 0.053 0.000 1.152 289 Y CA 0.208 58.159 58.100 -0.249 0.000 1.258 289 Y CB 0.100 38.119 38.460 -0.735 0.000 0.979 289 Y HN 0.561 8.841 8.280 0.000 0.000 0.549 290 C N 0.236 119.631 119.300 0.158 0.000 2.578 290 C HA 0.058 4.517 4.460 -0.002 0.000 0.285 290 C C 1.020 176.229 174.990 0.365 0.000 1.297 290 C CA -0.617 58.497 59.018 0.160 0.000 1.690 290 C CB -1.575 26.206 27.740 0.068 0.000 1.773 290 C HN 0.347 8.577 8.230 0.000 0.000 0.594 291 D N -1.458 119.163 120.400 0.369 0.000 2.539 291 D HA 0.170 4.809 4.640 -0.002 0.000 0.276 291 D C -0.122 176.415 176.300 0.396 0.000 1.206 291 D CA -0.262 53.967 54.000 0.383 0.000 1.081 291 D CB 0.515 41.441 40.800 0.211 0.000 1.142 291 D HN 0.183 8.553 8.370 0.000 0.000 0.595 292 Y N 0.029 120.323 120.300 -0.010 0.000 2.636 292 Y HA 0.176 4.725 4.550 -0.002 0.000 0.260 292 Y C 0.212 176.052 175.900 -0.101 0.000 1.177 292 Y CA -0.615 57.374 58.100 -0.185 0.000 1.209 292 Y CB -0.292 37.779 38.460 -0.649 0.000 1.166 292 Y HN 0.033 8.313 8.280 0.000 0.000 0.531 293 V N -1.992 118.010 119.914 0.147 0.000 3.237 293 V HA 0.184 4.303 4.120 -0.002 0.000 0.305 293 V C 0.533 176.770 176.094 0.239 0.000 1.096 293 V CA -1.177 61.215 62.300 0.154 0.000 1.130 293 V CB 0.547 32.465 31.823 0.160 0.000 1.048 293 V HN -0.007 8.183 8.190 0.000 0.000 0.484 294 D N 1.680 122.194 120.400 0.191 0.000 2.419 294 D HA 0.031 4.670 4.640 -0.002 0.000 0.236 294 D C 0.866 177.253 176.300 0.144 0.000 1.165 294 D CA 0.280 54.359 54.000 0.131 0.000 0.882 294 D CB 0.527 41.295 40.800 -0.052 0.000 1.201 294 D HN 0.748 9.118 8.370 0.000 0.000 0.443 295 D N 0.564 121.052 120.400 0.148 0.000 2.133 295 D HA -0.201 4.438 4.640 -0.002 0.000 0.195 295 D C 1.770 178.126 176.300 0.095 0.000 0.997 295 D CA 1.453 55.543 54.000 0.151 0.000 0.840 295 D CB -0.108 40.772 40.800 0.133 0.000 0.947 295 D HN 0.584 8.954 8.370 0.000 0.000 0.452 296 K N -0.336 120.091 120.400 0.045 0.000 2.439 296 K HA 0.005 4.325 4.320 -0.002 0.000 0.197 296 K C 1.766 178.391 176.600 0.043 0.000 1.041 296 K CA 0.703 57.010 56.287 0.032 0.000 0.970 296 K CB -0.252 32.252 32.500 0.007 0.000 0.773 296 K HN 0.152 8.402 8.250 0.000 0.000 0.479 297 c N 1.372 120.013 118.600 0.068 0.000 2.735 297 c HA 0.361 4.930 4.570 -0.002 0.000 0.271 297 c C 0.689 174.810 174.090 0.053 0.000 1.281 297 c CA -0.622 55.769 56.329 0.103 0.000 1.719 297 c CB -0.496 42.112 42.510 0.163 0.000 2.024 297 c HN 0.612 8.842 8.230 0.000 0.000 0.566 298 M N 0.364 119.973 119.600 0.015 0.000 2.294 298 M HA 0.573 5.052 4.480 -0.002 0.000 0.335 298 M C 0.003 176.114 176.300 -0.315 0.000 1.079 298 M CA -0.216 54.994 55.300 -0.150 0.000 0.982 298 M CB 1.582 34.172 32.600 -0.017 0.000 1.651 298 M HN -0.072 8.218 8.290 0.000 0.000 0.437 299 V N 0.425 119.898 119.914 -0.736 0.000 3.509 299 V HA 0.435 4.554 4.120 -0.002 0.000 0.286 299 V C -0.637 174.941 176.094 -0.860 0.000 1.618 299 V CA -0.161 61.790 62.300 -0.581 0.000 1.088 299 V CB -0.032 31.638 31.823 -0.255 0.000 0.909 299 V HN 1.037 9.227 8.190 0.000 0.000 0.429 300 M N -0.676 118.031 119.600 -1.489 0.000 2.534 300 M HA 0.819 5.298 4.480 -0.002 0.000 0.280 300 M C -1.686 174.116 176.300 -0.829 0.000 1.217 300 M CA -0.467 54.330 55.300 -0.838 0.000 0.893 300 M CB 1.425 33.785 32.600 -0.400 0.000 1.730 300 M HN -0.075 8.215 8.290 0.000 0.000 0.483 301 F N 0.153 120.035 119.950 -0.115 0.000 2.483 301 F HA 0.838 5.364 4.527 -0.002 0.000 0.329 301 F C 0.860 176.606 175.800 -0.090 0.000 1.064 301 F CA -0.395 57.574 58.000 -0.051 0.000 0.986 301 F CB 2.254 41.256 39.000 0.002 0.000 1.218 301 F HN 0.855 9.155 8.300 0.000 0.000 0.484 302 T N -1.591 113.042 114.554 0.131 0.000 2.912 302 T HA 0.183 4.532 4.350 -0.002 0.000 0.280 302 T C 0.697 175.424 174.700 0.046 0.000 0.989 302 T CA -0.777 61.342 62.100 0.031 0.000 0.995 302 T CB 1.442 70.285 68.868 -0.041 0.000 1.077 302 T HN 0.481 8.721 8.240 0.000 0.000 0.531 303 Q N 0.891 120.705 119.800 0.022 0.000 2.124 303 Q HA -0.009 4.330 4.340 -0.002 0.000 0.202 303 Q C 2.471 178.473 176.000 0.005 0.000 0.977 303 Q CA 2.040 57.853 55.803 0.017 0.000 0.850 303 Q CB -1.147 27.602 28.738 0.017 0.000 0.901 303 Q HN 0.996 9.266 8.270 0.000 0.000 0.429 304 G N 0.734 109.535 108.800 0.001 0.000 2.422 304 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.218 304 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.218 304 G C 1.388 176.282 174.900 -0.011 0.000 1.146 304 G CA 0.609 45.706 45.100 -0.004 0.000 0.769 304 G HN 0.369 8.659 8.290 0.000 0.000 0.547 305 Q N 0.059 119.857 119.800 -0.003 0.000 2.167 305 Q HA 0.095 4.434 4.340 -0.002 0.000 0.202 305 Q C 2.986 178.943 176.000 -0.072 0.000 0.970 305 Q CA 0.971 56.761 55.803 -0.021 0.000 0.855 305 Q CB -0.207 28.558 28.738 0.045 0.000 0.911 305 Q HN 0.479 8.749 8.270 0.000 0.000 0.438 306 A N 0.490 123.277 122.820 -0.055 0.000 1.933 306 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 306 A C 2.198 179.746 177.584 -0.059 0.000 1.175 306 A CA 1.808 53.802 52.037 -0.072 0.000 0.628 306 A CB -0.826 18.155 19.000 -0.033 0.000 0.814 306 A HN 0.300 8.450 8.150 0.000 0.000 0.444 307 T N -0.292 114.238 114.554 -0.040 0.000 2.684 307 T HA -0.166 4.183 4.350 -0.002 0.000 0.267 307 T C 2.075 176.747 174.700 -0.047 0.000 1.036 307 T CA 1.657 63.737 62.100 -0.033 0.000 1.148 307 T CB -0.238 68.618 68.868 -0.020 0.000 0.863 307 T HN 0.531 8.771 8.240 0.000 0.000 0.436 308 R N 0.257 120.723 120.500 -0.058 0.000 2.075 308 R HA -0.023 4.316 4.340 -0.002 0.000 0.232 308 R C 2.559 178.802 176.300 -0.096 0.000 1.126 308 R CA 0.986 57.041 56.100 -0.074 0.000 0.963 308 R CB -0.737 29.509 30.300 -0.090 0.000 0.858 308 R HN 0.240 8.510 8.270 0.000 0.000 0.435 309 V N 2.067 121.913 119.914 -0.113 0.000 2.287 309 V HA -0.273 3.846 4.120 -0.002 0.000 0.248 309 V C 1.764 177.799 176.094 -0.098 0.000 1.053 309 V CA 1.827 64.052 62.300 -0.125 0.000 1.027 309 V CB -0.563 31.167 31.823 -0.155 0.000 0.646 309 V HN 0.345 8.535 8.190 0.000 0.000 0.447 310 N N 0.650 119.306 118.700 -0.075 0.000 2.120 310 N HA -0.129 4.610 4.740 -0.002 0.000 0.188 310 N C 1.866 177.344 175.510 -0.054 0.000 1.024 310 N CA 1.699 54.715 53.050 -0.056 0.000 0.852 310 N CB -0.574 37.890 38.487 -0.039 0.000 1.003 310 N HN 0.505 8.885 8.380 0.000 0.000 0.424 311 A N 0.356 123.143 122.820 -0.055 0.000 1.933 311 A HA -0.151 4.168 4.320 -0.002 0.000 0.218 311 A C 2.677 180.223 177.584 -0.063 0.000 1.175 311 A CA 1.369 53.376 52.037 -0.049 0.000 0.628 311 A CB -1.173 17.801 19.000 -0.043 0.000 0.814 311 A HN 0.484 8.634 8.150 0.000 0.000 0.444 312 C N -0.505 118.742 119.300 -0.089 0.000 2.436 312 C HA -0.056 4.403 4.460 -0.002 0.000 0.277 312 C C 2.609 177.531 174.990 -0.113 0.000 1.241 312 C CA 1.280 60.226 59.018 -0.120 0.000 1.721 312 C CB -1.515 26.122 27.740 -0.172 0.000 2.043 312 C HN 0.593 8.823 8.230 0.000 0.000 0.472 313 L N 0.511 121.674 121.223 -0.101 0.000 2.093 313 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 313 L C 2.146 178.999 176.870 -0.029 0.000 1.085 313 L CA 1.649 56.450 54.840 -0.064 0.000 0.755 313 L CB -0.659 41.366 42.059 -0.056 0.000 0.904 313 L HN 0.353 8.583 8.230 0.000 0.000 0.435 314 D N -0.498 119.881 120.400 -0.035 0.000 2.317 314 D HA -0.012 4.627 4.640 -0.002 0.000 0.211 314 D C 1.408 177.694 176.300 -0.023 0.000 0.966 314 D CA 0.982 54.968 54.000 -0.023 0.000 0.876 314 D CB 0.274 41.060 40.800 -0.023 0.000 0.927 314 D HN 0.363 8.733 8.370 0.000 0.000 0.519 315 G N 0.894 109.675 108.800 -0.033 0.000 2.930 315 G HA2 0.061 4.020 3.960 -0.002 0.000 0.209 315 G HA3 0.061 4.020 3.960 -0.002 0.000 0.209 315 G C -1.393 173.489 174.900 -0.030 0.000 2.018 315 G CA -0.210 44.872 45.100 -0.030 0.000 0.751 315 G HN -0.024 8.266 8.290 0.000 0.000 0.770 316 P HA -0.053 4.367 4.420 0.000 0.000 0.219 316 P C 0.857 178.134 177.300 -0.038 0.000 1.146 316 P CA 1.011 64.085 63.100 -0.043 0.000 0.808 316 P CB 0.151 31.811 31.700 -0.066 0.000 0.779 317 R N -0.484 119.988 120.500 -0.046 0.000 2.613 317 R HA 0.187 4.526 4.340 -0.002 0.000 0.361 317 R C 1.718 178.096 176.300 0.129 0.000 1.072 317 R CA 0.211 56.336 56.100 0.042 0.000 1.089 317 R CB -0.094 30.130 30.300 -0.126 0.000 1.343 317 R HN 0.214 8.484 8.270 0.000 0.000 0.571 318 S N 0.227 115.951 115.700 0.040 0.000 2.469 318 S HA -0.176 4.293 4.470 -0.002 0.000 0.238 318 S C 2.028 176.634 174.600 0.010 0.000 0.998 318 S CA 1.329 59.546 58.200 0.027 0.000 0.957 318 S CB -0.134 63.065 63.200 -0.003 0.000 0.764 318 S HN 0.353 8.663 8.310 0.000 0.000 0.514 319 S N 1.216 116.893 115.700 -0.038 0.000 2.420 319 S HA -0.086 4.383 4.470 -0.002 0.000 0.237 319 S C 1.323 175.762 174.600 -0.269 0.000 1.023 319 S CA 0.874 58.967 58.200 -0.178 0.000 0.991 319 S CB -1.065 61.968 63.200 -0.279 0.000 0.792 319 S HN 0.557 8.867 8.310 0.000 0.000 0.488 320 F N 1.719 121.649 119.950 -0.033 0.000 2.661 320 F HA 0.379 4.905 4.527 -0.002 0.000 0.298 320 F C 1.287 177.067 175.800 -0.033 0.000 1.137 320 F CA -0.182 57.801 58.000 -0.028 0.000 1.454 320 F CB -0.315 38.678 39.000 -0.013 0.000 1.103 320 F HN 0.120 8.420 8.300 0.000 0.000 0.577 321 L N 0.000 121.284 121.223 0.102 0.000 2.949 321 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 321 L CA 0.000 54.870 54.840 0.050 0.000 0.813 321 L CB 0.000 42.074 42.059 0.024 0.000 0.961 321 L HN 0.000 8.230 8.230 0.000 0.000 0.502