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 1p89_1_A DATA FIRST_RESID 25 DATA SEQUENCE SNRALLLAAL AHGKTVLTNL LDSDDVRHML NALTALGVSY TLSADRTRCE DATA SEQUENCE IIGNGGPLHA EGALELFLGN AGTAMRPLAA ALCLGSNDIV LTGEPRMKER DATA SEQUENCE PIGHLVDALR LGGAKITYLE QENYPPLRLQ GGFTGGNVDV DGSVSSQFLT DATA SEQUENCE ALLMTAPLAP EDTVIRIKGD LVSKPYIDIT LNLMKTFGVE IENQHYQQFV DATA SEQUENCE VKGGQSYQSP GTYLVE 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 25 S HA 0.000 4.503 4.470 0.055 0.000 0.327 25 S C 0.000 174.619 174.600 0.032 0.000 1.055 25 S CA 0.000 58.227 58.200 0.045 0.000 1.107 25 S CB 0.000 63.211 63.200 0.018 0.000 0.593 26 N N 1.391 120.101 118.700 0.017 0.000 2.409 26 N HA -0.189 4.538 4.740 -0.021 0.000 0.179 26 N C 1.549 177.054 175.510 -0.009 0.000 1.032 26 N CA 2.058 55.104 53.050 -0.005 0.000 0.898 26 N CB -0.778 37.704 38.487 -0.009 0.000 0.971 26 N HN 0.215 8.608 8.380 0.022 0.000 0.441 27 R N 0.403 120.908 120.500 0.009 0.000 2.073 27 R HA -0.319 3.990 4.340 -0.052 0.000 0.234 27 R C 2.285 178.547 176.300 -0.062 0.000 1.134 27 R CA 4.283 60.369 56.100 -0.023 0.000 0.952 27 R CB -0.341 29.969 30.300 0.016 0.000 0.850 27 R HN 0.293 8.555 8.270 0.034 0.028 0.433 28 A N -2.073 120.768 122.820 0.036 0.000 1.969 28 A HA -0.103 4.243 4.320 0.043 0.000 0.218 28 A C 2.168 179.789 177.584 0.062 0.000 1.169 28 A CA 2.626 54.721 52.037 0.097 0.000 0.635 28 A CB -1.080 18.087 19.000 0.278 0.000 0.810 28 A HN 0.073 8.275 8.150 0.087 0.000 0.445 29 L N -1.126 120.114 121.223 0.029 0.000 1.994 29 L HA -0.413 3.957 4.340 0.049 0.000 0.208 29 L C 2.161 179.020 176.870 -0.020 0.000 1.071 29 L CA 3.440 58.286 54.840 0.011 0.000 0.745 29 L CB 0.017 42.057 42.059 -0.032 0.000 0.892 29 L HN -0.788 7.352 8.230 0.026 0.107 0.431 30 L N -1.314 119.872 121.223 -0.062 0.000 2.005 30 L HA -0.344 3.970 4.340 -0.044 0.000 0.207 30 L C 1.615 178.385 176.870 -0.167 0.000 1.072 30 L CA 2.775 57.565 54.840 -0.083 0.000 0.744 30 L CB -0.357 41.655 42.059 -0.078 0.000 0.895 30 L HN -0.091 8.103 8.230 -0.060 0.000 0.433 31 L N -3.324 117.689 121.223 -0.351 0.000 2.081 31 L HA -0.512 3.397 4.340 -0.718 0.000 0.212 31 L C 2.283 178.677 176.870 -0.793 0.000 1.080 31 L CA 3.124 57.468 54.840 -0.826 0.000 0.754 31 L CB -0.676 40.595 42.059 -1.314 0.000 0.893 31 L HN -0.110 7.943 8.230 -0.296 0.000 0.433 32 A N -3.013 119.639 122.820 -0.279 0.000 2.014 32 A HA -0.282 4.399 4.320 0.602 0.000 0.218 32 A C 1.303 178.951 177.584 0.108 0.000 1.163 32 A CA 2.553 54.707 52.037 0.195 0.000 0.652 32 A CB -0.754 18.426 19.000 0.299 0.000 0.808 32 A HN 0.013 7.934 8.150 -0.187 0.117 0.449 33 A N -1.182 121.650 122.820 0.020 0.000 1.968 33 A HA -0.127 4.217 4.320 0.041 0.000 0.217 33 A C 1.889 179.462 177.584 -0.018 0.000 1.169 33 A CA 2.460 54.507 52.037 0.017 0.000 0.638 33 A CB -0.227 18.780 19.000 0.012 0.000 0.812 33 A HN -0.456 7.531 8.150 -0.027 0.146 0.446 34 L N -5.135 116.086 121.223 -0.003 0.000 2.509 34 L HA 0.409 4.987 4.340 -0.103 -0.299 0.222 34 L C 0.186 177.068 176.870 0.019 0.000 1.123 34 L CA 0.011 54.851 54.840 -0.001 0.000 0.856 34 L CB 0.002 42.127 42.059 0.109 0.000 0.985 34 L HN -0.604 7.597 8.230 -0.017 0.019 0.456 35 A N -2.280 120.616 122.820 0.127 0.000 2.287 35 A HA 0.079 4.708 4.320 0.302 -0.128 0.273 35 A C -1.272 176.335 177.584 0.040 0.000 1.091 35 A CA -1.068 51.113 52.037 0.240 0.000 0.817 35 A CB 1.865 21.185 19.000 0.533 0.000 1.069 35 A HN -0.862 7.182 8.150 0.106 0.170 0.492 36 H N 0.399 119.559 119.070 0.149 0.000 2.787 36 H HA 0.030 4.627 4.556 0.069 0.000 0.275 36 H C -0.425 174.954 175.328 0.086 0.000 1.183 36 H CA 0.245 56.346 56.048 0.088 0.000 1.290 36 H CB -0.306 29.492 29.762 0.059 0.000 1.438 36 H HN 0.149 8.554 8.280 0.381 0.103 0.487 37 G N 2.315 111.203 108.800 0.146 0.000 2.592 37 G HA2 -0.282 3.733 3.960 0.092 0.000 0.685 37 G HA3 -0.282 3.744 3.960 0.110 0.000 0.685 37 G C -2.180 172.779 174.900 0.100 0.000 1.278 37 G CA -0.929 44.237 45.100 0.111 0.000 0.822 37 G HN -0.645 7.703 8.290 0.097 0.000 0.652 38 K N 2.076 122.522 120.400 0.077 0.000 2.350 38 K HA 0.195 4.817 4.320 0.095 -0.246 0.279 38 K C -0.727 175.912 176.600 0.065 0.000 1.027 38 K CA 0.510 56.843 56.287 0.077 0.000 0.969 38 K CB 1.067 33.605 32.500 0.062 0.000 0.954 38 K HN 0.076 8.365 8.250 0.066 0.000 0.474 39 T N 5.045 119.647 114.554 0.080 0.000 2.901 39 T HA 0.231 4.638 4.350 0.013 -0.049 0.293 39 T C -1.913 172.832 174.700 0.074 0.000 1.084 39 T CA -0.735 61.391 62.100 0.042 0.000 1.008 39 T CB 3.708 72.561 68.868 -0.025 0.000 1.170 39 T HN 0.465 8.671 8.240 0.111 0.100 0.509 40 V N 2.072 122.023 119.914 0.062 0.000 2.581 40 V HA 0.798 5.187 4.120 0.088 -0.217 0.303 40 V C -1.222 174.945 176.094 0.123 0.000 1.041 40 V CA -1.550 60.798 62.300 0.081 0.000 0.907 40 V CB 1.924 33.778 31.823 0.051 0.000 0.994 40 V HN 0.947 9.041 8.190 0.033 0.116 0.442 41 L N 3.126 124.421 121.223 0.121 0.000 2.406 41 L HA 0.894 5.586 4.340 0.188 -0.239 0.270 41 L C -0.722 176.179 176.870 0.052 0.000 0.982 41 L CA -1.561 53.365 54.840 0.143 0.000 0.843 41 L CB 1.255 43.431 42.059 0.195 0.000 1.225 41 L HN 1.177 9.351 8.230 0.097 0.114 0.412 42 T N 2.387 116.931 114.554 -0.016 0.000 2.936 42 T HA 0.619 5.129 4.350 -0.008 -0.165 0.282 42 T C 0.901 175.567 174.700 -0.056 0.000 1.003 42 T CA -2.267 59.811 62.100 -0.036 0.000 1.005 42 T CB 2.700 71.537 68.868 -0.052 0.000 1.097 42 T HN 0.882 8.980 8.240 -0.059 0.106 0.532 43 N N -0.108 118.568 118.700 -0.040 0.000 2.782 43 N HA -0.432 4.292 4.740 -0.027 0.000 0.251 43 N C -0.977 174.523 175.510 -0.016 0.000 1.101 43 N CA 1.335 54.364 53.050 -0.035 0.000 0.764 43 N CB -0.241 38.210 38.487 -0.060 0.000 1.122 43 N HN 0.054 8.417 8.380 -0.030 0.000 0.561 44 L N -2.734 118.486 121.223 -0.005 0.000 2.483 44 L HA -0.097 4.252 4.340 0.014 0.000 0.275 44 L C -0.245 176.625 176.870 -0.001 0.000 1.220 44 L CA 1.220 56.063 54.840 0.004 0.000 0.833 44 L CB 0.979 43.040 42.059 0.004 0.000 1.102 44 L HN -0.039 8.033 8.230 -0.006 0.155 0.490 45 L N 3.825 125.048 121.223 -0.000 0.000 2.261 45 L HA 0.147 4.486 4.340 -0.001 0.000 0.289 45 L C -1.229 175.633 176.870 -0.014 0.000 1.059 45 L CA -0.454 54.385 54.840 -0.003 0.000 0.816 45 L CB 1.136 43.197 42.059 0.003 0.000 1.191 45 L HN 0.173 8.405 8.230 0.003 0.000 0.431 46 D N 8.756 129.148 120.400 -0.013 0.000 2.541 46 D HA -0.079 4.547 4.640 -0.024 0.000 0.231 46 D C -0.858 175.427 176.300 -0.024 0.000 1.163 46 D CA 0.777 54.766 54.000 -0.019 0.000 1.077 46 D CB -1.150 39.643 40.800 -0.012 0.000 1.110 46 D HN 0.410 8.775 8.370 -0.008 0.000 0.499 47 S N 2.108 117.786 115.700 -0.036 0.000 2.998 47 S HA 0.230 4.678 4.470 -0.037 0.000 0.323 47 S C -0.586 173.965 174.600 -0.082 0.000 1.141 47 S CA -1.488 56.686 58.200 -0.043 0.000 0.873 47 S CB 1.876 65.060 63.200 -0.026 0.000 1.315 47 S HN -0.390 7.861 8.310 -0.040 0.034 0.637 48 D N -0.014 120.329 120.400 -0.095 0.000 2.366 48 D HA 0.100 4.564 4.640 -0.293 0.000 0.205 48 D C 0.471 176.659 176.300 -0.186 0.000 1.022 48 D CA 2.056 55.929 54.000 -0.211 0.000 0.868 48 D CB 0.340 41.048 40.800 -0.153 0.000 0.953 48 D HN 0.552 8.888 8.370 -0.056 0.000 0.514 49 D N -1.735 118.642 120.400 -0.038 0.000 2.224 49 D HA -0.174 4.535 4.640 0.116 0.000 0.205 49 D C 0.991 177.301 176.300 0.017 0.000 0.965 49 D CA 2.546 56.566 54.000 0.034 0.000 0.852 49 D CB -0.548 40.266 40.800 0.024 0.000 0.947 49 D HN 0.167 8.516 8.370 -0.035 0.000 0.494 50 V N -0.549 119.345 119.914 -0.033 0.000 2.436 50 V HA -0.173 3.930 4.120 -0.029 0.000 0.240 50 V C 1.072 177.118 176.094 -0.080 0.000 1.040 50 V CA 2.935 65.207 62.300 -0.046 0.000 1.052 50 V CB -0.244 31.549 31.823 -0.050 0.000 0.707 50 V HN -0.474 7.657 8.190 -0.051 0.029 0.469 51 R N -1.287 119.143 120.500 -0.117 0.000 2.170 51 R HA -0.417 3.835 4.340 -0.148 0.000 0.242 51 R C 1.618 177.885 176.300 -0.055 0.000 1.145 51 R CA 3.452 59.475 56.100 -0.129 0.000 0.984 51 R CB -0.916 29.299 30.300 -0.142 0.000 0.869 51 R HN -0.780 7.417 8.270 -0.122 0.000 0.455 52 H N -0.403 118.661 119.070 -0.009 0.000 2.395 52 H HA -0.036 4.554 4.556 0.056 0.000 0.299 52 H C 1.844 177.163 175.328 -0.015 0.000 1.070 52 H CA 2.379 58.439 56.048 0.019 0.000 1.356 52 H CB -0.177 29.601 29.762 0.027 0.000 1.401 52 H HN -0.518 7.682 8.280 -0.066 0.040 0.524 53 M N 1.218 120.862 119.600 0.074 0.000 2.099 53 M HA -0.324 4.167 4.480 0.018 0.000 0.262 53 M C 1.478 177.744 176.300 -0.056 0.000 1.067 53 M CA 3.040 58.340 55.300 0.001 0.000 1.124 53 M CB -0.522 32.061 32.600 -0.028 0.000 1.353 53 M HN -0.236 7.974 8.290 0.059 0.115 0.410 54 L N -1.484 119.629 121.223 -0.185 0.000 2.017 54 L HA -0.556 3.518 4.340 -0.444 0.000 0.208 54 L C 1.986 178.793 176.870 -0.105 0.000 1.073 54 L CA 4.038 58.588 54.840 -0.483 0.000 0.745 54 L CB -0.843 40.559 42.059 -1.095 0.000 0.894 54 L HN 0.310 8.437 8.230 -0.171 0.000 0.432 55 N N -1.822 116.906 118.700 0.046 0.000 2.272 55 N HA -0.306 4.622 4.740 0.312 0.000 0.185 55 N C 1.988 177.600 175.510 0.169 0.000 1.014 55 N CA 2.814 55.985 53.050 0.201 0.000 0.870 55 N CB -0.241 38.372 38.487 0.209 0.000 0.975 55 N HN 0.128 8.390 8.380 -0.003 0.115 0.433 56 A N -0.208 122.680 122.820 0.113 0.000 1.898 56 A HA -0.182 4.186 4.320 0.081 0.000 0.216 56 A C 1.924 179.562 177.584 0.090 0.000 1.181 56 A CA 2.855 54.941 52.037 0.082 0.000 0.620 56 A CB -0.655 18.370 19.000 0.042 0.000 0.819 56 A HN -0.234 7.822 8.150 0.086 0.145 0.442 57 L N -4.017 117.272 121.223 0.109 0.000 2.023 57 L HA -0.273 4.118 4.340 0.086 0.000 0.205 57 L C 2.626 179.591 176.870 0.159 0.000 1.073 57 L CA 2.588 57.502 54.840 0.125 0.000 0.745 57 L CB -0.750 41.391 42.059 0.136 0.000 0.900 57 L HN -0.482 7.722 8.230 0.093 0.082 0.435 58 T N -0.161 114.548 114.554 0.258 0.000 2.822 58 T HA -0.403 4.266 4.350 0.104 -0.256 0.270 58 T C 1.404 176.164 174.700 0.100 0.000 1.064 58 T CA 3.467 65.668 62.100 0.168 0.000 1.131 58 T CB -0.185 68.796 68.868 0.188 0.000 0.858 58 T HN -0.138 8.332 8.240 0.383 0.000 0.483 59 A N 0.171 123.057 122.820 0.111 0.000 1.908 59 A HA -0.169 4.192 4.320 0.068 0.000 0.218 59 A C 1.786 179.406 177.584 0.059 0.000 1.181 59 A CA 2.425 54.508 52.037 0.077 0.000 0.627 59 A CB -0.668 18.378 19.000 0.076 0.000 0.818 59 A HN -0.590 7.517 8.150 0.139 0.127 0.445 60 L N -4.590 116.671 121.223 0.064 0.000 2.291 60 L HA -0.281 4.089 4.340 0.050 0.000 0.214 60 L C 0.625 177.527 176.870 0.053 0.000 1.120 60 L CA 1.157 56.032 54.840 0.058 0.000 0.799 60 L CB 0.606 42.705 42.059 0.066 0.000 0.925 60 L HN -0.546 7.636 8.230 0.075 0.093 0.446 61 G N -5.138 103.693 108.800 0.053 0.000 2.273 61 G HA2 -0.264 3.762 3.960 0.025 0.000 0.162 61 G HA3 -0.264 3.717 3.960 0.035 0.000 0.162 61 G C -0.828 174.093 174.900 0.036 0.000 1.006 61 G CA -0.773 44.349 45.100 0.037 0.000 0.704 61 G HN -0.376 7.805 8.290 0.065 0.148 0.487 62 V N 1.153 121.103 119.914 0.061 0.000 2.999 62 V HA -0.278 3.873 4.120 0.052 0.000 0.307 62 V C -0.717 175.407 176.094 0.050 0.000 1.084 62 V CA 1.871 64.215 62.300 0.072 0.000 1.155 62 V CB 0.451 32.341 31.823 0.112 0.000 0.975 62 V HN -0.392 7.766 8.190 0.075 0.077 0.490 63 S N 5.685 121.408 115.700 0.039 0.000 2.532 63 S HA 0.247 4.642 4.470 -0.126 0.000 0.318 63 S C -1.715 172.908 174.600 0.039 0.000 1.083 63 S CA -0.379 57.805 58.200 -0.027 0.000 1.131 63 S CB 0.423 63.610 63.200 -0.022 0.000 0.973 63 S HN 0.662 9.005 8.310 0.055 0.000 0.468 64 Y N 3.839 124.157 120.300 0.031 0.000 2.549 64 Y HA 0.939 5.779 4.550 0.038 -0.268 0.339 64 Y C -0.737 175.180 175.900 0.029 0.000 1.053 64 Y CA -3.374 54.746 58.100 0.034 0.000 1.105 64 Y CB 3.147 41.629 38.460 0.037 0.000 1.258 64 Y HN -0.307 7.721 8.280 -0.420 0.000 0.478 65 T N 3.564 118.305 114.554 0.311 0.000 3.335 65 T HA 0.116 4.588 4.350 0.204 0.000 0.321 65 T C -1.363 173.453 174.700 0.194 0.000 0.960 65 T CA -0.517 61.704 62.100 0.202 0.000 1.034 65 T CB 2.154 71.067 68.868 0.076 0.000 1.040 65 T HN -0.264 8.164 8.240 0.315 0.000 0.454 66 L N 4.316 125.656 121.223 0.196 0.000 2.490 66 L HA 0.226 4.700 4.340 0.096 -0.077 0.245 66 L C -0.359 176.555 176.870 0.073 0.000 1.185 66 L CA -1.307 53.600 54.840 0.111 0.000 0.813 66 L CB 0.846 42.958 42.059 0.089 0.000 1.233 66 L HN 0.273 8.653 8.230 0.250 0.000 0.489 67 S N -1.197 114.532 115.700 0.048 0.000 2.694 67 S HA 0.025 4.516 4.470 0.035 0.000 0.278 67 S C 1.524 176.140 174.600 0.028 0.000 1.152 67 S CA -0.820 57.400 58.200 0.033 0.000 1.010 67 S CB 1.018 64.231 63.200 0.022 0.000 1.104 67 S HN -0.074 8.261 8.310 0.042 0.000 0.547 68 A N 0.176 123.008 122.820 0.020 0.000 2.125 68 A HA -0.082 4.250 4.320 0.019 0.000 0.219 68 A C 0.075 177.666 177.584 0.013 0.000 1.156 68 A CA 2.197 54.244 52.037 0.016 0.000 0.671 68 A CB -0.405 18.602 19.000 0.012 0.000 0.794 68 A HN 0.527 8.688 8.150 0.018 0.000 0.459 69 D N -4.449 115.957 120.400 0.011 0.000 2.469 69 D HA 0.055 4.698 4.640 0.006 0.000 0.215 69 D C -0.907 175.397 176.300 0.007 0.000 1.154 69 D CA -0.519 53.485 54.000 0.007 0.000 0.832 69 D CB 0.283 41.085 40.800 0.003 0.000 1.008 69 D HN -0.328 7.999 8.370 0.013 0.050 0.506 70 R N -3.827 116.681 120.500 0.013 0.000 3.422 70 R HA -0.358 3.996 4.340 0.022 0.000 0.267 70 R C -1.635 174.667 176.300 0.004 0.000 1.074 70 R CA 1.145 57.252 56.100 0.012 0.000 0.718 70 R CB -2.036 28.267 30.300 0.005 0.000 1.157 70 R HN -0.165 7.905 8.270 0.018 0.211 0.440 71 T N -9.188 105.370 114.554 0.006 0.000 3.043 71 T HA 0.131 4.640 4.350 -0.001 -0.160 0.272 71 T C -0.560 174.143 174.700 0.004 0.000 0.990 71 T CA -0.128 61.973 62.100 0.001 0.000 0.897 71 T CB 1.051 69.917 68.868 -0.003 0.000 1.111 71 T HN -0.264 7.973 8.240 0.010 0.009 0.529 72 R N 1.509 122.018 120.500 0.015 0.000 2.510 72 R HA 0.730 5.354 4.340 0.021 -0.272 0.294 72 R C -2.289 174.037 176.300 0.044 0.000 1.056 72 R CA -0.717 55.397 56.100 0.023 0.000 0.918 72 R CB 1.649 31.958 30.300 0.016 0.000 1.187 72 R HN -0.442 7.839 8.270 0.019 0.000 0.437 73 C N 6.243 125.576 119.300 0.056 0.000 2.614 73 C HA 0.722 5.429 4.460 0.097 -0.189 0.320 73 C C -1.546 173.503 174.990 0.099 0.000 1.200 73 C CA -2.432 56.637 59.018 0.085 0.000 1.700 73 C CB 3.988 31.769 27.740 0.068 0.000 2.275 73 C HN 1.048 9.202 8.230 0.054 0.108 0.492 74 E N 5.570 125.842 120.200 0.119 0.000 2.149 74 E HA 0.654 5.283 4.350 0.100 -0.218 0.255 74 E C -1.140 175.543 176.600 0.138 0.000 0.888 74 E CA -1.095 55.370 56.400 0.109 0.000 0.742 74 E CB 1.654 31.403 29.700 0.081 0.000 1.164 74 E HN 0.331 8.666 8.360 0.143 0.111 0.422 75 I N 5.330 125.985 120.570 0.142 0.000 2.331 75 I HA 0.151 4.582 4.170 0.188 -0.148 0.292 75 I C -0.751 175.440 176.117 0.124 0.000 0.998 75 I CA -1.710 59.683 61.300 0.156 0.000 1.267 75 I CB 1.917 40.009 38.000 0.153 0.000 1.386 75 I HN 0.870 9.161 8.210 0.135 0.000 0.476 76 I N 8.662 129.295 120.570 0.105 0.000 2.421 76 I HA -0.066 4.150 4.170 0.076 0.000 0.291 76 I C -0.204 175.954 176.117 0.069 0.000 1.089 76 I CA -0.039 61.307 61.300 0.077 0.000 1.354 76 I CB -1.030 37.002 38.000 0.054 0.000 1.413 76 I HN 0.215 8.387 8.210 0.115 0.108 0.513 77 G N 6.675 115.520 108.800 0.075 0.000 2.195 77 G HA2 -0.203 4.013 3.960 0.058 0.000 0.264 77 G HA3 -0.203 4.090 3.960 0.068 -0.292 0.264 77 G C 0.570 175.459 174.900 -0.020 0.000 1.148 77 G CA -0.045 45.084 45.100 0.048 0.000 1.023 77 G HN 0.237 8.551 8.290 0.089 0.029 0.429 78 N N 8.615 127.284 118.700 -0.051 0.000 2.443 78 N HA -0.310 4.404 4.740 -0.043 0.000 0.184 78 N C 0.810 176.206 175.510 -0.191 0.000 1.037 78 N CA 1.395 54.392 53.050 -0.088 0.000 0.896 78 N CB 0.250 38.682 38.487 -0.091 0.000 0.959 78 N HN 0.657 8.893 8.380 -0.031 0.126 0.442 79 G N -2.175 106.419 108.800 -0.343 0.000 2.284 79 G HA2 -0.274 2.889 3.960 -1.468 0.000 0.247 79 G HA3 -0.274 3.321 3.960 -0.608 0.000 0.247 79 G C -1.235 173.223 174.900 -0.737 0.000 1.012 79 G CA 0.611 45.196 45.100 -0.858 0.000 0.618 79 G HN -0.033 8.050 8.290 -0.257 0.053 0.521 80 G N 0.284 108.828 108.800 -0.427 0.000 3.195 80 G HA2 0.435 4.225 3.960 -0.284 0.000 0.217 80 G HA3 0.435 4.103 3.960 -0.487 0.000 0.217 80 G C -3.319 171.362 174.900 -0.366 0.000 1.166 80 G CA -1.183 43.682 45.100 -0.392 0.000 0.812 80 G HN -0.348 7.607 8.290 -0.371 0.112 0.617 81 P HA 0.167 4.537 4.420 -0.085 0.000 0.276 81 P C -1.148 176.061 177.300 -0.151 0.000 1.252 81 P CA -1.439 61.562 63.100 -0.166 0.000 0.802 81 P CB 1.109 32.833 31.700 0.041 0.000 1.035 82 L N 0.331 121.553 121.223 -0.000 0.000 2.699 82 L HA -0.125 4.221 4.340 0.011 0.000 0.283 82 L C -0.646 176.320 176.870 0.161 0.000 1.166 82 L CA 0.482 55.349 54.840 0.044 0.000 1.043 82 L CB -1.802 40.278 42.059 0.036 0.000 1.369 82 L HN 0.311 8.548 8.230 0.011 0.000 0.462 83 H N 5.091 124.165 119.070 0.006 0.000 2.668 83 H HA -0.023 4.776 4.556 0.006 -0.240 0.303 83 H C -1.225 174.108 175.328 0.008 0.000 1.074 83 H CA -1.093 54.959 56.048 0.006 0.000 1.406 83 H CB 0.819 30.584 29.762 0.005 0.000 1.442 83 H HN -0.249 8.106 8.280 0.133 0.006 0.482 84 A N 5.229 128.095 122.820 0.077 0.000 2.530 84 A HA 0.285 4.632 4.320 0.045 0.000 0.279 84 A C -2.453 175.132 177.584 0.001 0.000 1.109 84 A CA -0.300 51.761 52.037 0.039 0.000 0.763 84 A CB 2.230 21.254 19.000 0.041 0.000 1.257 84 A HN 0.249 8.602 8.150 0.045 -0.175 0.424 85 E N 4.282 124.477 120.200 -0.008 0.000 2.103 85 E HA 0.045 4.378 4.350 -0.027 0.000 0.254 85 E C -0.361 176.234 176.600 -0.009 0.000 0.940 85 E CA -0.876 55.511 56.400 -0.021 0.000 0.771 85 E CB -0.521 29.157 29.700 -0.035 0.000 1.153 85 E HN 0.366 8.727 8.360 0.002 0.000 0.428 86 G N 3.421 112.217 108.800 -0.006 0.000 4.636 86 G HA2 -0.086 3.872 3.960 -0.003 0.000 0.212 86 G HA3 -0.086 3.876 3.960 0.003 0.000 0.212 86 G C -1.632 173.268 174.900 0.000 0.000 0.829 86 G CA 0.544 45.643 45.100 -0.001 0.000 0.833 86 G HN -0.044 8.241 8.290 -0.007 0.000 0.510 87 A N -1.176 121.643 122.820 -0.003 0.000 2.667 87 A HA -0.344 3.978 4.320 -0.005 -0.004 0.298 87 A C -1.335 176.252 177.584 0.005 0.000 1.483 87 A CA 0.639 52.675 52.037 -0.002 0.000 0.738 87 A CB -1.597 17.402 19.000 -0.002 0.000 1.067 87 A HN -0.434 7.712 8.150 -0.007 0.000 0.451 88 L N -1.899 119.329 121.223 0.008 0.000 2.380 88 L HA 0.035 4.386 4.340 0.018 0.000 0.273 88 L C -0.957 175.924 176.870 0.017 0.000 1.138 88 L CA 0.355 55.204 54.840 0.016 0.000 0.832 88 L CB 1.967 44.038 42.059 0.022 0.000 1.124 88 L HN -0.368 7.865 8.230 0.006 0.000 0.454 89 E N 6.584 126.800 120.200 0.025 0.000 2.176 89 E HA 0.445 4.971 4.350 0.020 -0.164 0.267 89 E C -1.905 174.723 176.600 0.047 0.000 0.893 89 E CA -1.442 54.977 56.400 0.030 0.000 0.761 89 E CB 2.137 31.857 29.700 0.034 0.000 1.133 89 E HN 0.062 8.438 8.360 0.027 0.000 0.409 90 L N 4.237 125.485 121.223 0.040 0.000 2.332 90 L HA 0.285 4.675 4.340 0.084 0.000 0.269 90 L C -2.031 174.882 176.870 0.072 0.000 1.016 90 L CA -1.398 53.476 54.840 0.057 0.000 0.809 90 L CB 2.616 44.690 42.059 0.025 0.000 1.280 90 L HN 0.143 8.385 8.230 0.020 0.000 0.447 91 F N 0.264 120.150 119.950 -0.108 0.000 2.500 91 F HA 0.219 4.761 4.527 -0.167 -0.115 0.349 91 F C -1.559 173.964 175.800 -0.461 0.000 1.127 91 F CA -1.123 56.754 58.000 -0.205 0.000 0.998 91 F CB 1.315 40.223 39.000 -0.152 0.000 1.237 91 F HN -0.081 8.308 8.300 0.148 0.000 0.439 92 L N 3.092 123.877 121.223 -0.731 0.000 2.611 92 L HA 0.279 4.247 4.340 -0.621 0.000 0.229 92 L C 0.940 177.314 176.870 -0.827 0.000 1.137 92 L CA -1.003 53.432 54.840 -0.674 0.000 0.901 92 L CB -1.116 40.749 42.059 -0.324 0.000 1.098 92 L HN 0.817 8.536 8.230 -0.676 0.106 0.456 93 G N 0.136 108.142 108.800 -1.324 0.000 2.602 93 G HA2 -0.499 2.891 3.960 -0.974 0.000 0.317 93 G HA3 -0.499 3.493 3.960 0.053 0.000 0.317 93 G C 0.146 174.888 174.900 -0.264 0.000 1.327 93 G CA 1.252 45.972 45.100 -0.632 0.000 0.971 93 G HN -0.501 6.377 8.290 -2.222 0.079 0.540 94 N N 2.589 121.285 118.700 -0.006 0.000 2.994 94 N HA 0.017 4.714 4.740 -0.071 0.000 0.306 94 N C -0.915 174.609 175.510 0.022 0.000 1.348 94 N CA -0.290 52.752 53.050 -0.013 0.000 1.109 94 N CB -1.214 37.283 38.487 0.017 0.000 1.415 94 N HN 0.309 8.769 8.380 0.133 0.000 0.529 95 A N -0.080 122.752 122.820 0.021 0.000 1.878 95 A HA 0.175 4.528 4.320 0.055 0.000 0.215 95 A C 0.247 177.832 177.584 0.001 0.000 1.310 95 A CA 0.920 52.982 52.037 0.041 0.000 0.612 95 A CB 0.925 19.975 19.000 0.084 0.000 0.989 95 A HN -0.415 7.631 8.150 -0.036 0.083 0.472 96 G N -2.127 106.660 108.800 -0.023 0.000 2.267 96 G HA2 -0.320 3.624 3.960 -0.028 0.000 0.257 96 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.257 96 G C 0.850 175.748 174.900 -0.002 0.000 0.998 96 G CA 1.563 46.654 45.100 -0.015 0.000 0.620 96 G HN 0.642 8.905 8.290 -0.045 0.000 0.529 97 T N -2.838 111.715 114.554 -0.002 0.000 3.060 97 T HA 0.032 4.515 4.350 0.004 -0.131 0.249 97 T C -1.055 173.641 174.700 -0.005 0.000 1.079 97 T CA 0.615 62.715 62.100 0.000 0.000 1.013 97 T CB 0.019 68.889 68.868 0.003 0.000 0.975 97 T HN 0.042 8.165 8.240 0.002 0.118 0.518 98 A N -0.599 122.214 122.820 -0.012 0.000 2.427 98 A HA 0.290 4.596 4.320 -0.022 0.000 0.225 98 A C 0.150 177.706 177.584 -0.046 0.000 1.257 98 A CA 0.246 52.272 52.037 -0.019 0.000 0.985 98 A CB 0.673 19.677 19.000 0.007 0.000 1.136 98 A HN 0.023 8.115 8.150 -0.012 0.051 0.538 99 M N -0.576 118.984 119.600 -0.066 0.000 2.236 99 M HA -0.289 4.129 4.480 -0.104 0.000 0.266 99 M C 1.308 177.536 176.300 -0.121 0.000 1.070 99 M CA 3.495 58.734 55.300 -0.102 0.000 1.137 99 M CB 0.047 32.574 32.600 -0.122 0.000 1.378 99 M HN -0.013 8.245 8.290 -0.053 0.000 0.426 100 R N -1.185 119.240 120.500 -0.124 0.000 2.062 100 R HA -0.002 4.182 4.340 -0.261 0.000 0.226 100 R C -0.895 175.311 176.300 -0.156 0.000 1.125 100 R CA 4.946 60.929 56.100 -0.194 0.000 0.966 100 R CB -2.934 27.246 30.300 -0.200 0.000 0.861 100 R HN -0.043 8.175 8.270 -0.087 0.000 0.433 101 P HA -0.149 4.224 4.420 -0.078 0.000 0.216 101 P C 0.770 178.023 177.300 -0.078 0.000 1.153 101 P CA 2.976 66.030 63.100 -0.076 0.000 0.848 101 P CB -0.241 31.430 31.700 -0.048 0.000 0.787 102 L N -3.671 117.510 121.223 -0.071 0.000 2.156 102 L HA -0.261 4.052 4.340 -0.046 0.000 0.208 102 L C 1.443 178.268 176.870 -0.075 0.000 1.095 102 L CA 2.003 56.807 54.840 -0.058 0.000 0.770 102 L CB -1.129 40.903 42.059 -0.044 0.000 0.914 102 L HN -0.565 7.623 8.230 -0.069 0.000 0.439 103 A N -0.709 122.048 122.820 -0.105 0.000 1.877 103 A HA -0.389 3.871 4.320 -0.099 0.000 0.216 103 A C 1.559 179.054 177.584 -0.148 0.000 1.186 103 A CA 2.843 54.806 52.037 -0.123 0.000 0.620 103 A CB -0.801 18.106 19.000 -0.155 0.000 0.822 103 A HN -0.589 7.382 8.150 -0.114 0.111 0.443 104 A N -3.169 119.543 122.820 -0.180 0.000 1.968 104 A HA -0.168 3.963 4.320 -0.315 0.000 0.217 104 A C 1.081 178.555 177.584 -0.183 0.000 1.169 104 A CA 1.981 53.870 52.037 -0.247 0.000 0.638 104 A CB -0.197 18.645 19.000 -0.263 0.000 0.812 104 A HN -0.634 7.412 8.150 -0.173 0.000 0.446 105 A N -2.181 120.582 122.820 -0.095 0.000 1.908 105 A HA -0.194 4.123 4.320 -0.005 0.000 0.218 105 A C 2.475 180.058 177.584 -0.000 0.000 1.181 105 A CA 2.533 54.552 52.037 -0.029 0.000 0.627 105 A CB -0.162 18.828 19.000 -0.016 0.000 0.818 105 A HN -0.551 7.543 8.150 -0.093 0.000 0.445 106 L N -4.846 116.369 121.223 -0.014 0.000 2.291 106 L HA -0.153 4.371 4.340 0.073 -0.140 0.214 106 L C 1.889 178.769 176.870 0.016 0.000 1.120 106 L CA 1.790 56.644 54.840 0.022 0.000 0.799 106 L CB -0.375 41.686 42.059 0.004 0.000 0.925 106 L HN -0.708 7.498 8.230 -0.041 0.000 0.446 107 C N -3.063 116.208 119.300 -0.048 0.000 2.413 107 C HA -0.327 4.104 4.460 -0.047 0.000 0.292 107 C C -0.230 174.811 174.990 0.084 0.000 1.435 107 C CA 2.620 61.601 59.018 -0.061 0.000 1.791 107 C CB -0.844 26.737 27.740 -0.265 0.000 1.784 107 C HN -0.735 7.279 8.230 -0.093 0.160 0.548 108 L N -3.659 117.650 121.223 0.142 0.000 2.468 108 L HA -0.292 4.231 4.340 0.305 0.000 0.254 108 L C 1.483 178.462 176.870 0.181 0.000 1.171 108 L CA 0.642 55.618 54.840 0.227 0.000 0.809 108 L CB 0.607 42.798 42.059 0.219 0.000 1.155 108 L HN -0.947 7.264 8.230 0.098 0.078 0.473 109 G N -0.739 108.166 108.800 0.175 0.000 2.672 109 G HA2 -0.448 3.557 3.960 0.075 0.000 0.332 109 G HA3 -0.448 3.568 3.960 0.093 0.000 0.332 109 G C -1.629 173.251 174.900 -0.034 0.000 1.213 109 G CA 1.673 46.821 45.100 0.078 0.000 0.980 109 G HN 0.397 8.792 8.290 0.174 0.000 0.548 110 S N 2.449 118.054 115.700 -0.157 0.000 2.461 110 S HA 0.114 4.691 4.470 -0.057 -0.141 0.245 110 S C -2.163 172.353 174.600 -0.140 0.000 1.039 110 S CA -0.438 57.692 58.200 -0.116 0.000 1.077 110 S CB 1.932 65.070 63.200 -0.104 0.000 1.171 110 S HN -0.159 7.948 8.310 -0.338 0.000 0.433 111 N N 2.561 121.218 118.700 -0.072 0.000 2.260 111 N HA 0.196 4.976 4.740 -0.065 -0.079 0.293 111 N C -2.045 173.447 175.510 -0.031 0.000 1.058 111 N CA -0.515 52.505 53.050 -0.049 0.000 0.824 111 N CB 3.808 42.289 38.487 -0.010 0.000 1.551 111 N HN 0.013 8.370 8.380 -0.044 -0.004 0.475 112 D N 3.519 123.904 120.400 -0.026 0.000 2.412 112 D HA 0.626 5.554 4.640 -0.026 -0.303 0.224 112 D C -1.251 175.041 176.300 -0.013 0.000 1.093 112 D CA 0.587 54.575 54.000 -0.021 0.000 0.850 112 D CB 1.349 42.137 40.800 -0.020 0.000 1.046 112 D HN 0.033 8.388 8.370 -0.026 0.000 0.507 113 I N 3.329 123.890 120.570 -0.015 0.000 2.722 113 I HA 0.673 5.059 4.170 -0.001 -0.216 0.295 113 I C -1.677 174.432 176.117 -0.013 0.000 1.161 113 I CA -0.989 60.306 61.300 -0.008 0.000 1.032 113 I CB 4.924 42.921 38.000 -0.006 0.000 1.244 113 I HN 0.238 8.434 8.210 -0.022 0.000 0.421 114 V N 5.740 125.652 119.914 -0.004 0.000 2.334 114 V HA 0.468 4.802 4.120 -0.009 -0.220 0.281 114 V C -0.714 175.378 176.094 -0.002 0.000 1.016 114 V CA -0.735 61.564 62.300 -0.002 0.000 0.832 114 V CB 0.695 32.523 31.823 0.008 0.000 0.999 114 V HN 0.887 8.943 8.190 0.004 0.135 0.439 115 L N 8.741 129.954 121.223 -0.016 0.000 2.439 115 L HA 0.207 4.629 4.340 -0.035 -0.103 0.261 115 L C -0.396 176.448 176.870 -0.044 0.000 1.153 115 L CA 0.227 55.044 54.840 -0.039 0.000 0.808 115 L CB 0.997 43.019 42.059 -0.062 0.000 1.126 115 L HN 1.181 9.272 8.230 -0.018 0.128 0.460 116 T N -1.094 113.400 114.554 -0.100 0.000 2.786 116 T HA 0.275 4.557 4.350 -0.113 0.000 0.316 116 T C -2.025 172.402 174.700 -0.455 0.000 1.503 116 T CA -0.549 61.466 62.100 -0.141 0.000 1.019 116 T CB 3.475 72.357 68.868 0.022 0.000 1.415 116 T HN -0.116 8.045 8.240 -0.131 0.000 0.496 117 G N -0.266 108.183 108.800 -0.586 0.000 2.782 117 G HA2 0.244 3.143 3.960 -1.914 0.000 0.304 117 G HA3 0.244 3.801 3.960 -0.672 0.000 0.304 117 G C -1.929 172.491 174.900 -0.801 0.000 1.315 117 G CA -1.131 43.328 45.100 -1.067 0.000 0.791 117 G HN 0.005 8.105 8.290 -0.317 0.000 0.519 118 E N -0.609 119.290 120.200 -0.501 0.000 2.421 118 E HA 0.148 4.675 4.350 0.296 0.000 0.253 118 E C -0.194 176.384 176.600 -0.037 0.000 1.277 118 E CA -0.596 55.795 56.400 -0.016 0.000 0.968 118 E CB -0.078 29.648 29.700 0.043 0.000 1.040 118 E HN -0.655 7.229 8.360 -0.543 0.150 0.512 119 P HA -0.090 4.311 4.420 -0.033 0.000 0.217 119 P C 0.544 177.795 177.300 -0.080 0.000 1.150 119 P CA 2.350 65.434 63.100 -0.027 0.000 0.832 119 P CB 0.246 31.944 31.700 -0.002 0.000 0.787 120 R N -3.208 117.251 120.500 -0.070 0.000 2.093 120 R HA -0.169 4.112 4.340 -0.099 0.000 0.224 120 R C 1.907 178.125 176.300 -0.136 0.000 1.101 120 R CA 2.009 58.055 56.100 -0.091 0.000 0.979 120 R CB -0.925 29.343 30.300 -0.054 0.000 0.877 120 R HN -0.067 8.166 8.270 -0.040 0.013 0.441 121 M N -0.493 119.024 119.600 -0.139 0.000 2.346 121 M HA -0.250 4.153 4.480 -0.130 0.000 0.263 121 M C 1.340 177.502 176.300 -0.231 0.000 1.064 121 M CA 2.194 57.394 55.300 -0.167 0.000 1.083 121 M CB -0.577 31.899 32.600 -0.206 0.000 1.399 121 M HN 0.055 8.198 8.290 -0.119 0.076 0.435 122 K N -4.628 115.603 120.400 -0.281 0.000 2.442 122 K HA -0.213 3.896 4.320 -0.351 0.000 0.198 122 K C 0.573 176.582 176.600 -0.985 0.000 1.044 122 K CA 1.585 57.611 56.287 -0.435 0.000 0.948 122 K CB -0.456 31.861 32.500 -0.305 0.000 0.762 122 K HN -0.533 7.431 8.250 -0.219 0.155 0.472 123 E N -5.280 114.497 120.200 -0.705 0.000 2.789 123 E HA 0.122 3.372 4.350 -1.833 0.000 0.208 123 E C -0.220 176.294 176.600 -0.142 0.000 0.988 123 E CA -1.121 54.832 56.400 -0.745 0.000 1.092 123 E CB 0.840 30.344 29.700 -0.326 0.000 1.066 123 E HN -0.338 7.595 8.360 -0.399 0.187 0.465 124 R N 1.758 122.229 120.500 -0.049 0.000 2.280 124 R HA 0.364 4.761 4.340 0.096 0.000 0.326 124 R C -1.825 174.621 176.300 0.244 0.000 1.080 124 R CA -3.161 53.003 56.100 0.107 0.000 1.002 124 R CB -0.664 29.652 30.300 0.026 0.000 1.136 124 R HN -0.482 7.602 8.270 -0.199 0.066 0.509 125 P HA -0.062 4.574 4.420 -0.090 -0.269 0.260 125 P C -0.510 176.831 177.300 0.068 0.000 1.172 125 P CA 0.258 63.387 63.100 0.048 0.000 0.760 125 P CB 0.269 31.967 31.700 -0.003 0.000 0.773 126 I N 2.724 123.242 120.570 -0.086 0.000 3.376 126 I HA 0.368 4.445 4.170 -0.155 0.000 0.326 126 I C -0.596 175.381 176.117 -0.234 0.000 1.538 126 I CA -1.643 59.535 61.300 -0.202 0.000 0.989 126 I CB 0.878 38.732 38.000 -0.244 0.000 1.413 126 I HN -0.444 7.538 8.210 -0.183 0.117 0.547 127 G N 2.117 110.785 108.800 -0.220 0.000 2.394 127 G HA2 -0.329 3.661 3.960 -0.003 0.000 0.214 127 G HA3 -0.329 3.613 3.960 -0.118 -0.053 0.214 127 G C 0.468 175.390 174.900 0.036 0.000 1.176 127 G CA 2.182 47.222 45.100 -0.099 0.000 0.786 127 G HN 0.570 8.675 8.290 -0.310 0.000 0.533 128 H N 0.493 119.753 119.070 0.316 0.000 2.426 128 H HA -0.356 4.312 4.556 0.187 0.000 0.298 128 H C 2.295 177.811 175.328 0.314 0.000 1.107 128 H CA 2.682 58.928 56.048 0.329 0.000 1.298 128 H CB -0.283 29.669 29.762 0.317 0.000 1.377 128 H HN 0.132 8.024 8.280 -0.648 0.000 0.519 129 L N -0.452 120.871 121.223 0.167 0.000 2.022 129 L HA -0.179 4.173 4.340 0.020 0.000 0.204 129 L C 0.826 177.604 176.870 -0.155 0.000 1.076 129 L CA 2.910 57.617 54.840 -0.222 0.000 0.749 129 L CB -0.309 41.131 42.059 -1.032 0.000 0.903 129 L HN -0.430 7.791 8.230 0.022 0.022 0.439 130 V N -1.085 118.724 119.914 -0.176 0.000 2.546 130 V HA -0.492 3.530 4.120 -0.163 0.000 0.254 130 V C 2.502 178.568 176.094 -0.048 0.000 1.076 130 V CA 3.951 66.186 62.300 -0.108 0.000 1.087 130 V CB -1.308 30.502 31.823 -0.021 0.000 0.674 130 V HN -0.305 7.739 8.190 -0.244 0.000 0.470 131 D N -0.500 119.911 120.400 0.019 0.000 2.103 131 D HA -0.169 4.495 4.640 0.039 0.000 0.199 131 D C 1.833 178.169 176.300 0.060 0.000 0.978 131 D CA 3.207 57.240 54.000 0.055 0.000 0.829 131 D CB -0.211 40.653 40.800 0.106 0.000 0.981 131 D HN 0.294 8.552 8.370 0.036 0.134 0.464 132 A N 0.082 122.945 122.820 0.072 0.000 1.858 132 A HA -0.288 4.106 4.320 0.123 0.000 0.216 132 A C 2.099 179.753 177.584 0.117 0.000 1.190 132 A CA 3.122 55.221 52.037 0.104 0.000 0.617 132 A CB -0.503 18.566 19.000 0.116 0.000 0.827 132 A HN -0.673 7.523 8.150 0.077 0.000 0.443 133 L N -3.738 117.452 121.223 -0.054 0.000 2.042 133 L HA -0.494 3.576 4.340 -0.449 0.000 0.210 133 L C 2.535 179.412 176.870 0.013 0.000 1.076 133 L CA 3.215 57.855 54.840 -0.333 0.000 0.749 133 L CB -1.119 40.533 42.059 -0.679 0.000 0.893 133 L HN -0.547 7.623 8.230 -0.099 0.000 0.432 134 R N -1.189 119.305 120.500 -0.010 0.000 2.091 134 R HA -0.277 4.275 4.340 0.023 -0.198 0.238 134 R C 3.342 179.705 176.300 0.104 0.000 1.136 134 R CA 2.915 59.035 56.100 0.032 0.000 0.959 134 R CB -0.231 30.059 30.300 -0.016 0.000 0.856 134 R HN -0.537 7.697 8.270 -0.056 0.003 0.437 135 L N -2.004 119.293 121.223 0.123 0.000 2.131 135 L HA -0.261 4.127 4.340 0.081 0.000 0.210 135 L C 1.401 178.358 176.870 0.144 0.000 1.092 135 L CA 2.401 57.311 54.840 0.117 0.000 0.759 135 L CB -0.179 41.946 42.059 0.109 0.000 0.903 135 L HN -0.114 8.075 8.230 0.112 0.108 0.435 136 G N -6.473 102.499 108.800 0.286 0.000 2.650 136 G HA2 -0.063 4.086 3.960 0.012 0.000 0.214 136 G HA3 -0.063 3.994 3.960 0.162 0.000 0.214 136 G C -0.573 174.382 174.900 0.092 0.000 1.136 136 G CA 0.399 45.591 45.100 0.153 0.000 0.789 136 G HN -0.289 8.122 8.290 0.419 0.130 0.536 137 G N -2.638 106.298 108.800 0.226 0.000 2.273 137 G HA2 -0.290 3.722 3.960 0.086 0.000 0.162 137 G HA3 -0.290 3.815 3.960 0.090 -0.091 0.162 137 G C -1.757 173.258 174.900 0.192 0.000 1.006 137 G CA -0.659 44.529 45.100 0.147 0.000 0.704 137 G HN -0.485 7.782 8.290 0.263 0.180 0.487 138 A N 0.674 123.656 122.820 0.270 0.000 2.386 138 A HA -0.046 4.415 4.320 0.134 -0.061 0.248 138 A C -0.536 177.057 177.584 0.015 0.000 1.082 138 A CA -0.148 51.954 52.037 0.107 0.000 0.789 138 A CB 0.516 19.469 19.000 -0.078 0.000 1.025 138 A HN -0.171 8.208 8.150 0.383 0.000 0.490 139 K N 2.440 122.829 120.400 -0.019 0.000 2.473 139 K HA 0.356 4.646 4.320 -0.050 0.000 0.246 139 K C -2.126 174.423 176.600 -0.085 0.000 1.011 139 K CA -0.884 55.374 56.287 -0.047 0.000 0.984 139 K CB 0.073 32.554 32.500 -0.032 0.000 1.250 139 K HN -0.121 8.120 8.250 -0.014 0.000 0.454 140 I N 2.988 123.481 120.570 -0.128 0.000 3.067 140 I HA 0.845 5.179 4.170 -0.135 -0.245 0.312 140 I C -0.680 175.281 176.117 -0.260 0.000 1.073 140 I CA -2.080 59.116 61.300 -0.174 0.000 1.016 140 I CB 4.398 42.284 38.000 -0.191 0.000 1.227 140 I HN 0.030 8.161 8.210 -0.131 0.000 0.456 141 T N 0.601 114.977 114.554 -0.297 0.000 2.762 141 T HA 0.256 4.277 4.350 -0.548 0.000 0.301 141 T C -2.364 172.121 174.700 -0.358 0.000 1.299 141 T CA -1.489 60.383 62.100 -0.380 0.000 1.005 141 T CB 2.547 71.311 68.868 -0.174 0.000 1.377 141 T HN -0.316 7.794 8.240 -0.217 0.000 0.504 142 Y N 2.319 122.599 120.300 -0.032 0.000 2.388 142 Y HA 0.515 5.259 4.550 -0.028 -0.211 0.328 142 Y C -0.138 175.755 175.900 -0.011 0.000 0.963 142 Y CA -3.024 55.060 58.100 -0.027 0.000 1.240 142 Y CB 0.240 38.678 38.460 -0.037 0.000 1.118 142 Y HN 0.406 8.578 8.280 -0.179 0.000 0.484 143 L N 4.000 125.310 121.223 0.145 0.000 2.313 143 L HA -0.098 4.279 4.340 0.063 0.000 0.214 143 L C 0.630 177.549 176.870 0.082 0.000 1.119 143 L CA 1.679 56.569 54.840 0.082 0.000 0.809 143 L CB -0.136 41.956 42.059 0.055 0.000 0.933 143 L HN 0.254 8.473 8.230 0.156 0.104 0.449 144 E N -3.310 116.950 120.200 0.101 0.000 3.249 144 E HA 0.058 4.446 4.350 0.065 0.000 0.184 144 E C -0.878 175.773 176.600 0.084 0.000 1.163 144 E CA -0.005 56.443 56.400 0.080 0.000 1.353 144 E CB 1.800 31.541 29.700 0.068 0.000 1.466 144 E HN -0.161 8.249 8.360 0.130 0.029 0.502 145 Q N -1.214 118.641 119.800 0.091 0.000 2.433 145 Q HA 0.220 4.556 4.340 -0.006 0.000 0.279 145 Q C -1.652 174.157 176.000 -0.318 0.000 1.105 145 Q CA -1.320 54.488 55.803 0.008 0.000 0.815 145 Q CB 3.228 32.125 28.738 0.266 0.000 1.403 145 Q HN -0.152 8.189 8.270 0.118 0.000 0.435 146 E N 1.998 121.866 120.200 -0.553 0.000 2.316 146 E HA -0.128 2.859 4.350 -2.272 0.000 0.275 146 E C -0.570 175.284 176.600 -1.244 0.000 1.029 146 E CA 0.811 56.512 56.400 -1.165 0.000 0.871 146 E CB 0.439 29.802 29.700 -0.561 0.000 1.022 146 E HN 0.277 8.425 8.360 -0.353 0.000 0.418 147 N N -3.200 114.620 118.700 -1.466 0.000 2.783 147 N HA -0.350 4.104 4.740 -0.477 0.000 0.247 147 N C -1.972 173.206 175.510 -0.553 0.000 1.089 147 N CA 1.304 53.910 53.050 -0.741 0.000 0.690 147 N CB -1.608 36.532 38.487 -0.578 0.000 0.991 147 N HN 0.412 7.131 8.380 -2.769 0.000 0.552 148 Y N -3.038 117.075 120.300 -0.312 0.000 2.615 148 Y HA 0.357 4.969 4.550 -0.153 -0.154 0.341 148 Y C -1.980 173.851 175.900 -0.115 0.000 1.089 148 Y CA -3.131 54.863 58.100 -0.178 0.000 1.049 148 Y CB 1.631 39.994 38.460 -0.161 0.000 1.296 148 Y HN -0.937 7.107 8.280 -0.393 0.000 0.470 149 P HA -0.144 4.238 4.420 -0.064 0.000 0.220 149 P C -2.382 174.914 177.300 -0.006 0.000 1.155 149 P CA 1.587 64.665 63.100 -0.036 0.000 0.880 149 P CB -0.973 30.654 31.700 -0.122 0.000 0.790 150 P HA -0.004 4.675 4.420 0.026 -0.243 0.263 150 P C -1.561 175.800 177.300 0.103 0.000 1.276 150 P CA 0.228 63.362 63.100 0.057 0.000 0.986 150 P CB -0.753 30.993 31.700 0.076 0.000 1.105 151 L N 3.988 125.243 121.223 0.052 0.000 2.406 151 L HA 0.626 5.282 4.340 0.083 -0.266 0.272 151 L C -1.233 175.631 176.870 -0.010 0.000 0.980 151 L CA -1.651 53.213 54.840 0.040 0.000 0.831 151 L CB 4.051 46.119 42.059 0.015 0.000 1.253 151 L HN -0.212 8.028 8.230 0.016 0.000 0.406 152 R N 5.671 126.153 120.500 -0.030 0.000 2.215 152 R HA 0.725 5.282 4.340 -0.026 -0.233 0.336 152 R C -0.963 175.300 176.300 -0.062 0.000 0.996 152 R CA -1.073 55.004 56.100 -0.038 0.000 0.847 152 R CB 0.841 31.122 30.300 -0.032 0.000 1.127 152 R HN -0.014 8.231 8.270 -0.041 0.000 0.465 153 L N 5.478 126.669 121.223 -0.053 0.000 2.399 153 L HA 0.632 5.087 4.340 -0.079 -0.163 0.265 153 L C -0.064 176.778 176.870 -0.047 0.000 1.089 153 L CA -0.603 54.200 54.840 -0.061 0.000 0.802 153 L CB 1.307 43.330 42.059 -0.060 0.000 1.180 153 L HN 1.179 9.270 8.230 -0.041 0.115 0.454 154 Q N -1.917 117.856 119.800 -0.045 0.000 1.989 154 Q HA 0.351 4.762 4.340 -0.034 -0.091 0.215 154 Q C -0.053 175.932 176.000 -0.025 0.000 0.809 154 Q CA -1.002 54.780 55.803 -0.035 0.000 1.024 154 Q CB 2.646 31.362 28.738 -0.036 0.000 1.236 154 Q HN 0.454 8.694 8.270 -0.051 0.000 0.429 155 G N -0.980 107.811 108.800 -0.016 0.000 2.682 155 G HA2 -0.440 3.674 3.960 0.032 0.000 0.256 155 G HA3 -0.440 3.583 3.960 0.003 -0.061 0.256 155 G C -0.446 174.478 174.900 0.039 0.000 1.333 155 G CA 0.482 45.591 45.100 0.015 0.000 0.904 155 G HN -0.397 7.878 8.290 -0.025 0.000 0.569 156 G N -2.995 105.848 108.800 0.073 0.000 2.192 156 G HA2 -0.356 3.633 3.960 0.049 0.000 0.193 156 G HA3 -0.356 3.721 3.960 0.060 -0.082 0.193 156 G C -0.544 174.447 174.900 0.151 0.000 0.999 156 G CA -0.398 44.750 45.100 0.079 0.000 0.659 156 G HN -0.399 7.845 8.290 0.080 0.093 0.503 157 F N 3.960 123.907 119.950 -0.005 0.000 2.538 157 F HA -0.079 4.427 4.527 -0.005 0.018 0.382 157 F C -0.562 175.240 175.800 0.003 0.000 1.069 157 F CA -0.287 57.712 58.000 -0.002 0.000 1.138 157 F CB -0.381 38.619 39.000 0.001 0.000 1.068 157 F HN 0.191 8.498 8.300 0.280 0.160 0.556 158 T N 4.574 118.978 114.554 -0.249 0.000 3.087 158 T HA 0.160 4.402 4.350 -0.179 0.000 0.237 158 T C -0.026 174.424 174.700 -0.416 0.000 0.990 158 T CA 0.136 62.086 62.100 -0.250 0.000 1.160 158 T CB 1.808 70.604 68.868 -0.120 0.000 0.923 158 T HN 0.151 8.275 8.240 -0.194 0.000 0.442 159 G N -0.165 108.347 108.800 -0.481 0.000 2.339 159 G HA2 -0.146 3.438 3.960 -0.627 0.000 0.275 159 G HA3 -0.146 3.799 3.960 -0.310 -0.171 0.275 159 G C -2.027 172.753 174.900 -0.199 0.000 1.323 159 G CA -0.273 44.578 45.100 -0.415 0.000 0.927 159 G HN -0.165 7.779 8.290 -0.398 0.107 0.486 160 G N -2.984 105.745 108.800 -0.120 0.000 2.497 160 G HA2 -0.330 3.605 3.960 -0.042 0.000 0.686 160 G HA3 -0.330 3.606 3.960 -0.040 0.000 0.686 160 G C -2.187 172.708 174.900 -0.009 0.000 1.288 160 G CA -0.712 44.359 45.100 -0.049 0.000 0.899 160 G HN -0.135 7.954 8.290 -0.127 0.125 0.608 161 N N 0.608 119.315 118.700 0.011 0.000 2.411 161 N HA -0.059 4.840 4.740 0.038 -0.136 0.261 161 N C -0.257 175.286 175.510 0.056 0.000 1.248 161 N CA 1.104 54.174 53.050 0.034 0.000 0.885 161 N CB 0.327 38.832 38.487 0.031 0.000 1.062 161 N HN 0.164 8.546 8.380 0.004 0.000 0.471 162 V N 4.628 124.590 119.914 0.080 0.000 3.078 162 V HA 0.178 4.355 4.120 0.094 0.000 0.311 162 V C -2.150 174.008 176.094 0.107 0.000 1.138 162 V CA -1.714 60.648 62.300 0.104 0.000 1.007 162 V CB 4.639 36.549 31.823 0.144 0.000 1.045 162 V HN 1.073 9.183 8.190 0.083 0.129 0.432 163 D N 3.471 123.934 120.400 0.105 0.000 2.549 163 D HA 0.231 5.014 4.640 0.108 -0.078 0.251 163 D C -2.209 174.158 176.300 0.111 0.000 1.153 163 D CA -0.635 53.426 54.000 0.101 0.000 0.861 163 D CB 1.961 42.809 40.800 0.079 0.000 1.207 163 D HN -0.012 8.421 8.370 0.105 0.000 0.543 164 V N 1.562 121.547 119.914 0.117 0.000 2.715 164 V HA 0.251 4.467 4.120 0.160 0.000 0.310 164 V C -1.647 174.496 176.094 0.081 0.000 1.054 164 V CA -3.524 58.855 62.300 0.131 0.000 0.928 164 V CB 4.528 36.435 31.823 0.139 0.000 1.007 164 V HN 0.748 8.890 8.190 0.121 0.120 0.437 165 D N 6.044 126.481 120.400 0.061 0.000 2.264 165 D HA 0.021 4.672 4.640 -0.104 -0.073 0.250 165 D C -0.119 176.093 176.300 -0.146 0.000 1.113 165 D CA 0.427 54.352 54.000 -0.125 0.000 0.871 165 D CB 1.919 42.444 40.800 -0.460 0.000 1.167 165 D HN 0.315 8.792 8.370 0.178 0.000 0.447 166 G N 3.662 112.382 108.800 -0.132 0.000 2.394 166 G HA2 -0.154 3.755 3.960 -0.084 0.000 0.214 166 G HA3 -0.154 3.765 3.960 -0.068 0.000 0.214 166 G C 0.503 175.279 174.900 -0.206 0.000 1.176 166 G CA 0.482 45.512 45.100 -0.117 0.000 0.786 166 G HN -0.217 8.008 8.290 -0.109 0.000 0.533 167 S N 1.168 116.724 115.700 -0.239 0.000 2.553 167 S HA -0.296 4.069 4.470 -0.176 0.000 0.271 167 S C 0.017 174.407 174.600 -0.351 0.000 1.362 167 S CA 1.475 59.528 58.200 -0.243 0.000 1.010 167 S CB 0.592 63.658 63.200 -0.224 0.000 0.865 167 S HN -0.701 7.585 8.310 -0.224 -0.111 0.543 168 V N -0.416 119.349 119.914 -0.248 0.000 6.496 168 V HA -0.375 3.668 4.120 -0.128 0.000 0.336 168 V C -1.530 174.421 176.094 -0.238 0.000 0.472 168 V CA 0.556 62.706 62.300 -0.250 0.000 0.692 168 V CB -1.867 29.750 31.823 -0.343 0.000 0.328 168 V HN 0.389 8.477 8.190 -0.171 0.000 0.921 169 S N -2.479 113.138 115.700 -0.138 0.000 3.465 169 S HA -0.202 4.198 4.470 -0.116 0.000 0.849 169 S C 0.684 175.255 174.600 -0.049 0.000 1.200 169 S CA 0.918 59.069 58.200 -0.082 0.000 0.947 169 S CB 0.176 63.372 63.200 -0.006 0.000 0.609 169 S HN -0.017 8.213 8.310 -0.132 0.000 0.300 170 S N 0.411 116.096 115.700 -0.026 0.000 2.603 170 S HA -0.186 4.286 4.470 0.003 0.000 0.220 170 S C 1.520 176.173 174.600 0.089 0.000 0.967 170 S CA 0.520 58.733 58.200 0.021 0.000 0.920 170 S CB -0.321 62.899 63.200 0.034 0.000 0.773 170 S HN 0.532 8.799 8.310 -0.072 0.000 0.529 171 Q N 0.930 120.814 119.800 0.139 0.000 2.297 171 Q HA -0.268 4.111 4.340 0.065 0.000 0.208 171 Q C 1.669 177.774 176.000 0.175 0.000 0.981 171 Q CA 2.641 58.525 55.803 0.136 0.000 0.876 171 Q CB -1.145 27.665 28.738 0.119 0.000 0.921 171 Q HN 0.498 8.754 8.270 0.119 0.085 0.446 172 F N -0.711 119.217 119.950 -0.036 0.000 2.053 172 F HA -0.275 4.232 4.527 -0.034 0.000 0.292 172 F C 1.947 177.715 175.800 -0.054 0.000 1.125 172 F CA 3.416 61.398 58.000 -0.029 0.000 1.193 172 F CB -0.756 38.255 39.000 0.018 0.000 0.996 172 F HN -0.844 7.758 8.300 0.585 0.050 0.470 173 L N -1.681 119.622 121.223 0.135 0.000 2.141 173 L HA -0.287 4.043 4.340 -0.018 0.000 0.209 173 L C 1.741 178.563 176.870 -0.079 0.000 1.094 173 L CA 2.982 57.791 54.840 -0.052 0.000 0.763 173 L CB -0.446 41.461 42.059 -0.253 0.000 0.908 173 L HN 0.014 8.345 8.230 0.169 0.000 0.437 174 T N 0.885 115.419 114.554 -0.033 0.000 2.803 174 T HA -0.409 3.920 4.350 -0.035 0.000 0.269 174 T C 1.617 176.310 174.700 -0.013 0.000 1.052 174 T CA 4.425 66.514 62.100 -0.019 0.000 1.136 174 T CB -0.816 68.060 68.868 0.014 0.000 0.864 174 T HN 0.684 8.804 8.240 0.010 0.126 0.467 175 A N 0.990 123.797 122.820 -0.021 0.000 1.872 175 A HA -0.200 4.095 4.320 -0.043 0.000 0.214 175 A C 1.607 179.174 177.584 -0.029 0.000 1.187 175 A CA 2.876 54.884 52.037 -0.049 0.000 0.614 175 A CB -0.686 18.249 19.000 -0.109 0.000 0.826 175 A HN -0.608 7.410 8.150 -0.008 0.127 0.442 176 L N -2.065 119.152 121.223 -0.011 0.000 2.156 176 L HA -0.294 4.078 4.340 0.053 0.000 0.208 176 L C 2.451 179.400 176.870 0.132 0.000 1.095 176 L CA 3.069 57.950 54.840 0.069 0.000 0.770 176 L CB -0.101 42.017 42.059 0.097 0.000 0.914 176 L HN -0.618 7.601 8.230 -0.017 0.000 0.439 177 L N -2.998 118.269 121.223 0.073 0.000 2.201 177 L HA -0.281 4.143 4.340 0.140 0.000 0.212 177 L C 1.115 178.070 176.870 0.142 0.000 1.105 177 L CA 2.585 57.487 54.840 0.103 0.000 0.775 177 L CB 0.022 42.111 42.059 0.050 0.000 0.913 177 L HN 0.232 8.351 8.230 0.022 0.124 0.440 178 M N -7.322 112.352 119.600 0.123 0.000 2.534 178 M HA 0.377 5.054 4.480 0.328 0.000 0.263 178 M C 1.549 177.973 176.300 0.205 0.000 1.152 178 M CA 1.820 57.239 55.300 0.198 0.000 1.145 178 M CB 1.249 33.891 32.600 0.071 0.000 1.333 178 M HN -0.864 7.346 8.290 0.077 0.127 0.477 179 T N 2.062 116.707 114.554 0.151 0.000 2.852 179 T HA -0.145 4.290 4.350 0.143 0.000 0.256 179 T C 1.469 176.359 174.700 0.316 0.000 1.038 179 T CA 3.271 65.480 62.100 0.182 0.000 1.141 179 T CB 0.114 69.027 68.868 0.076 0.000 0.869 179 T HN -0.115 8.120 8.240 0.117 0.075 0.439 180 A N 0.884 123.943 122.820 0.399 0.000 1.902 180 A HA -0.042 4.438 4.320 0.266 0.000 0.217 180 A C -0.410 177.210 177.584 0.060 0.000 1.181 180 A CA 4.131 56.342 52.037 0.290 0.000 0.623 180 A CB -2.277 16.883 19.000 0.267 0.000 0.818 180 A HN 0.392 8.609 8.150 0.341 0.138 0.443 181 P HA -0.192 4.337 4.420 -0.013 -0.116 0.216 181 P C 0.315 177.553 177.300 -0.103 0.000 1.150 181 P CA 2.347 65.433 63.100 -0.024 0.000 0.843 181 P CB -0.372 31.317 31.700 -0.018 0.000 0.787 182 L N -5.289 115.868 121.223 -0.109 0.000 2.492 182 L HA 0.163 4.594 4.340 -0.163 -0.188 0.223 182 L C -0.106 176.732 176.870 -0.054 0.000 1.132 182 L CA -0.303 54.463 54.840 -0.123 0.000 0.850 182 L CB -0.250 41.727 42.059 -0.137 0.000 0.966 182 L HN -0.796 7.386 8.230 -0.050 0.018 0.454 183 A N -0.603 122.186 122.820 -0.051 0.000 2.522 183 A HA 0.008 4.297 4.320 -0.052 0.000 0.256 183 A C -0.726 176.788 177.584 -0.117 0.000 1.086 183 A CA -2.236 49.729 52.037 -0.119 0.000 0.763 183 A CB -0.598 18.174 19.000 -0.380 0.000 1.024 183 A HN -0.432 7.500 8.150 -0.033 0.199 0.502 184 P HA -0.278 4.115 4.420 -0.046 0.000 0.218 184 P C -0.426 176.827 177.300 -0.079 0.000 1.150 184 P CA 1.635 64.698 63.100 -0.062 0.000 0.841 184 P CB 0.390 32.065 31.700 -0.041 0.000 0.784 185 E N -1.602 118.527 120.200 -0.118 0.000 2.222 185 E HA 0.032 4.335 4.350 -0.080 0.000 0.272 185 E C -1.622 174.903 176.600 -0.125 0.000 0.982 185 E CA -1.076 55.257 56.400 -0.111 0.000 0.842 185 E CB 1.869 31.499 29.700 -0.117 0.000 1.144 185 E HN -0.222 7.913 8.360 -0.156 0.132 0.397 186 D N 1.822 122.170 120.400 -0.087 0.000 2.401 186 D HA -0.066 4.646 4.640 -0.067 -0.112 0.254 186 D C 0.076 176.328 176.300 -0.080 0.000 1.192 186 D CA 0.937 54.895 54.000 -0.070 0.000 0.885 186 D CB 0.488 41.263 40.800 -0.043 0.000 1.147 186 D HN 0.115 8.442 8.370 -0.070 0.000 0.478 187 T N 7.905 122.414 114.554 -0.076 0.000 2.824 187 T HA 0.205 4.762 4.350 -0.071 -0.250 0.280 187 T C -1.607 173.103 174.700 0.017 0.000 0.995 187 T CA -0.012 62.053 62.100 -0.058 0.000 1.009 187 T CB 2.014 70.825 68.868 -0.095 0.000 0.955 187 T HN 0.232 8.433 8.240 -0.064 0.000 0.452 188 V N 7.562 127.498 119.914 0.038 0.000 2.340 188 V HA 0.191 4.360 4.120 0.080 0.000 0.277 188 V C -1.616 174.541 176.094 0.105 0.000 1.017 188 V CA -0.591 61.749 62.300 0.068 0.000 0.820 188 V CB 0.935 32.784 31.823 0.043 0.000 1.028 188 V HN 0.401 8.496 8.190 0.026 0.110 0.436 189 I N 8.412 129.075 120.570 0.156 0.000 2.472 189 I HA 0.369 4.714 4.170 0.150 -0.086 0.290 189 I C -1.114 175.128 176.117 0.209 0.000 1.016 189 I CA -0.263 61.145 61.300 0.179 0.000 1.348 189 I CB 1.766 39.881 38.000 0.192 0.000 1.417 189 I HN 0.422 8.737 8.210 0.176 0.000 0.521 190 R N 5.683 126.288 120.500 0.175 0.000 2.875 190 R HA 0.754 5.328 4.340 0.216 -0.104 0.251 190 R C -0.984 175.428 176.300 0.186 0.000 1.123 190 R CA -1.726 54.482 56.100 0.180 0.000 1.064 190 R CB 3.313 33.685 30.300 0.120 0.000 1.205 190 R HN 0.598 8.860 8.270 0.148 0.097 0.503 191 I N 0.381 121.063 120.570 0.187 0.000 2.388 191 I HA 0.622 5.088 4.170 0.129 -0.218 0.281 191 I C 0.160 176.327 176.117 0.083 0.000 1.046 191 I CA -3.606 57.786 61.300 0.154 0.000 1.187 191 I CB -2.140 35.995 38.000 0.225 0.000 1.351 191 I HN 0.733 8.964 8.210 0.184 0.089 0.472 192 K N 7.896 128.323 120.400 0.046 0.000 1.968 192 K HA -0.214 4.121 4.320 0.024 0.000 0.222 192 K C 0.186 176.775 176.600 -0.020 0.000 1.043 192 K CA 2.226 58.519 56.287 0.010 0.000 0.991 192 K CB 0.258 32.751 32.500 -0.011 0.000 0.744 192 K HN 0.374 8.534 8.250 0.051 0.121 0.445 193 G N -2.289 106.469 108.800 -0.070 0.000 2.562 193 G HA2 0.022 3.942 3.960 -0.068 0.000 0.275 193 G HA3 0.022 4.036 3.960 -0.141 -0.139 0.275 193 G C -0.857 174.005 174.900 -0.064 0.000 1.196 193 G CA -1.234 43.813 45.100 -0.089 0.000 0.908 193 G HN -0.244 8.097 8.290 -0.101 -0.111 0.524 194 D N -1.100 119.263 120.400 -0.062 0.000 2.487 194 D HA -0.159 4.463 4.640 -0.029 0.000 0.243 194 D C -0.695 175.570 176.300 -0.058 0.000 1.154 194 D CA 1.281 55.252 54.000 -0.049 0.000 0.876 194 D CB 0.643 41.412 40.800 -0.051 0.000 1.161 194 D HN 0.025 8.354 8.370 -0.068 0.000 0.478 195 L N 3.060 124.264 121.223 -0.032 0.000 2.485 195 L HA -0.174 4.020 4.340 -0.046 0.119 0.275 195 L C 0.532 177.376 176.870 -0.044 0.000 1.207 195 L CA 1.824 56.648 54.840 -0.027 0.000 0.855 195 L CB 0.639 42.718 42.059 0.033 0.000 1.114 195 L HN 0.188 8.409 8.230 -0.015 0.000 0.485 196 V N 4.971 124.852 119.914 -0.055 0.000 3.565 196 V HA 0.121 4.211 4.120 -0.051 0.000 0.260 196 V C -0.048 176.030 176.094 -0.026 0.000 1.231 196 V CA 1.077 63.343 62.300 -0.057 0.000 1.100 196 V CB 0.836 32.603 31.823 -0.094 0.000 0.807 196 V HN 0.302 8.452 8.190 -0.066 0.000 0.454 197 S N -1.124 114.583 115.700 0.012 0.000 2.617 197 S HA 0.120 4.683 4.470 0.155 0.000 0.237 197 S C -0.106 174.624 174.600 0.217 0.000 1.142 197 S CA -1.117 57.150 58.200 0.113 0.000 1.167 197 S CB -0.526 62.675 63.200 0.001 0.000 1.068 197 S HN -0.313 8.000 8.310 0.006 0.000 0.470 198 K N 3.517 123.995 120.400 0.131 0.000 2.049 198 K HA -0.302 4.124 4.320 0.178 0.000 0.219 198 K C -0.805 175.949 176.600 0.257 0.000 1.056 198 K CA 5.627 61.979 56.287 0.109 0.000 0.946 198 K CB -1.500 30.908 32.500 -0.152 0.000 0.723 198 K HN 0.456 8.747 8.250 0.068 0.000 0.453 199 P HA 0.022 4.570 4.420 0.213 0.000 0.229 199 P C 0.797 178.152 177.300 0.092 0.000 1.160 199 P CA 1.872 65.060 63.100 0.146 0.000 0.777 199 P CB 0.033 31.750 31.700 0.030 0.000 0.814 200 Y N -1.765 118.601 120.300 0.110 0.000 2.395 200 Y HA -0.275 4.324 4.550 0.082 0.000 0.293 200 Y C 2.248 178.209 175.900 0.101 0.000 1.123 200 Y CA 3.624 61.777 58.100 0.088 0.000 1.227 200 Y CB -0.093 38.402 38.460 0.058 0.000 1.012 200 Y HN -0.416 7.929 8.280 0.411 0.181 0.552 201 I N 0.380 121.119 120.570 0.282 0.000 2.394 201 I HA -0.355 3.899 4.170 0.139 0.000 0.251 201 I C 1.050 177.311 176.117 0.240 0.000 1.136 201 I CA 0.751 62.181 61.300 0.217 0.000 1.425 201 I CB -0.015 38.111 38.000 0.210 0.000 1.079 201 I HN -0.216 8.059 8.210 0.320 0.127 0.425 202 D N 0.259 120.807 120.400 0.247 0.000 2.178 202 D HA -0.255 4.490 4.640 0.174 0.000 0.201 202 D C 2.585 178.954 176.300 0.115 0.000 0.980 202 D CA 3.950 58.053 54.000 0.171 0.000 0.842 202 D CB -0.341 40.546 40.800 0.146 0.000 0.948 202 D HN -0.573 7.945 8.370 0.278 0.018 0.472 203 I N -2.411 118.220 120.570 0.101 0.000 2.394 203 I HA -0.381 3.829 4.170 0.067 0.000 0.251 203 I C 1.847 178.009 176.117 0.076 0.000 1.136 203 I CA 3.308 64.655 61.300 0.078 0.000 1.425 203 I CB -0.233 37.808 38.000 0.068 0.000 1.079 203 I HN -0.855 7.298 8.210 0.114 0.126 0.425 204 T N 2.936 117.542 114.554 0.088 0.000 2.674 204 T HA -0.358 4.004 4.350 0.020 0.000 0.265 204 T C 1.700 176.424 174.700 0.041 0.000 1.039 204 T CA 5.420 67.550 62.100 0.051 0.000 1.150 204 T CB -0.105 68.797 68.868 0.056 0.000 0.864 204 T HN -0.807 7.362 8.240 0.116 0.141 0.427 205 L N -0.237 121.040 121.223 0.090 0.000 2.109 205 L HA -0.210 4.186 4.340 0.094 0.000 0.207 205 L C 2.257 179.164 176.870 0.061 0.000 1.086 205 L CA 2.780 57.675 54.840 0.091 0.000 0.760 205 L CB -0.641 41.491 42.059 0.121 0.000 0.910 205 L HN -0.571 7.734 8.230 0.124 0.000 0.437 206 N N -0.287 118.447 118.700 0.057 0.000 2.223 206 N HA -0.219 4.550 4.740 0.048 0.000 0.185 206 N C 2.546 178.073 175.510 0.030 0.000 1.016 206 N CA 3.090 56.170 53.050 0.049 0.000 0.863 206 N CB -0.228 38.293 38.487 0.058 0.000 0.983 206 N HN 0.089 8.335 8.380 0.069 0.175 0.429 207 L N -0.008 121.215 121.223 -0.000 0.000 2.095 207 L HA -0.194 4.078 4.340 -0.114 0.000 0.204 207 L C 1.776 178.609 176.870 -0.061 0.000 1.080 207 L CA 2.850 57.646 54.840 -0.074 0.000 0.759 207 L CB -0.464 41.530 42.059 -0.108 0.000 0.914 207 L HN 0.189 8.204 8.230 0.012 0.222 0.439 208 M N -1.458 118.084 119.600 -0.097 0.000 2.086 208 M HA -0.502 3.691 4.480 -0.479 0.000 0.261 208 M C 1.706 178.080 176.300 0.124 0.000 1.067 208 M CA 4.529 59.764 55.300 -0.108 0.000 1.116 208 M CB -0.079 32.553 32.600 0.054 0.000 1.348 208 M HN -0.025 8.152 8.290 -0.063 0.075 0.407 209 K N -1.466 118.997 120.400 0.105 0.000 2.057 209 K HA -0.323 4.154 4.320 0.134 -0.077 0.207 209 K C 2.266 178.926 176.600 0.099 0.000 1.049 209 K CA 2.737 59.089 56.287 0.108 0.000 0.931 209 K CB -0.751 31.792 32.500 0.070 0.000 0.714 209 K HN 0.374 8.553 8.250 0.073 0.115 0.440 210 T N -0.346 114.247 114.554 0.066 0.000 2.803 210 T HA -0.349 4.010 4.350 0.016 0.000 0.269 210 T C 0.415 175.110 174.700 -0.008 0.000 1.052 210 T CA 3.235 65.342 62.100 0.012 0.000 1.136 210 T CB -0.115 68.723 68.868 -0.050 0.000 0.864 210 T HN -0.708 7.563 8.240 0.053 0.000 0.467 211 F N -3.879 116.018 119.950 -0.088 0.000 2.098 211 F HA -0.268 4.222 4.527 -0.062 0.000 0.294 211 F C 0.395 176.235 175.800 0.067 0.000 1.107 211 F CA 2.478 60.453 58.000 -0.042 0.000 1.234 211 F CB 1.062 39.989 39.000 -0.122 0.000 1.002 211 F HN -0.391 7.932 8.300 0.264 0.136 0.472 212 G N -5.806 103.183 108.800 0.315 0.000 4.106 212 G HA2 -0.111 3.933 3.960 0.140 0.000 0.220 212 G HA3 -0.111 4.094 3.960 0.222 -0.112 0.220 212 G C -1.491 173.534 174.900 0.208 0.000 0.853 212 G CA -0.317 44.915 45.100 0.219 0.000 0.920 212 G HN -0.326 8.170 8.290 0.344 0.000 0.715 213 V N 0.993 121.087 119.914 0.299 0.000 2.604 213 V HA 0.172 4.474 4.120 0.117 -0.111 0.305 213 V C -1.917 174.288 176.094 0.185 0.000 1.043 213 V CA -1.493 60.933 62.300 0.210 0.000 0.888 213 V CB 2.635 34.561 31.823 0.171 0.000 0.995 213 V HN -0.406 8.036 8.190 0.420 0.000 0.429 214 E N 4.486 124.751 120.200 0.107 0.000 2.369 214 E HA 0.249 4.662 4.350 0.105 0.000 0.270 214 E C -0.968 175.669 176.600 0.062 0.000 0.909 214 E CA -1.045 55.405 56.400 0.084 0.000 0.775 214 E CB 3.662 33.394 29.700 0.054 0.000 1.270 214 E HN 0.070 8.476 8.360 0.076 0.000 0.445 215 I N -2.861 117.743 120.570 0.057 0.000 3.294 215 I HA 0.696 4.886 4.170 0.034 0.000 0.311 215 I C -1.752 174.366 176.117 0.003 0.000 1.111 215 I CA -2.526 58.800 61.300 0.044 0.000 0.976 215 I CB 3.252 41.304 38.000 0.088 0.000 1.260 215 I HN -0.155 8.091 8.210 0.060 0.000 0.474 216 E N 0.879 121.070 120.200 -0.015 0.000 2.200 216 E HA 0.031 4.339 4.350 -0.070 0.000 0.283 216 E C -1.394 175.123 176.600 -0.138 0.000 1.015 216 E CA -0.936 55.424 56.400 -0.066 0.000 0.819 216 E CB 1.701 31.367 29.700 -0.057 0.000 1.081 216 E HN 0.666 8.922 8.360 0.005 0.108 0.397 217 N N 6.449 125.027 118.700 -0.205 0.000 2.589 217 N HA 0.084 4.512 4.740 -0.520 0.000 0.232 217 N C -0.332 174.958 175.510 -0.366 0.000 1.015 217 N CA -0.394 52.431 53.050 -0.375 0.000 0.931 217 N CB 0.212 38.481 38.487 -0.363 0.000 1.150 217 N HN 0.428 8.709 8.380 -0.165 0.000 0.512 218 Q N 3.354 122.931 119.800 -0.372 0.000 2.677 218 Q HA 0.013 4.211 4.340 -0.235 0.000 0.187 218 Q C 0.861 176.713 176.000 -0.246 0.000 1.146 218 Q CA -0.296 55.353 55.803 -0.257 0.000 1.224 218 Q CB 1.155 29.805 28.738 -0.147 0.000 1.268 218 Q HN -0.517 7.494 8.270 -0.431 0.000 0.674 219 H N 1.970 120.979 119.070 -0.101 0.000 3.663 219 H HA -0.104 4.428 4.556 -0.039 0.000 0.250 219 H C -0.582 174.785 175.328 0.064 0.000 1.363 219 H CA 0.676 56.707 56.048 -0.027 0.000 1.259 219 H CB -1.796 27.971 29.762 0.009 0.000 1.435 219 H HN 0.321 8.605 8.280 0.008 0.000 0.692 220 Y N -3.811 116.466 120.300 -0.038 0.000 4.324 220 Y HA -0.472 3.975 4.550 -0.172 0.000 0.224 220 Y C -1.228 174.716 175.900 0.073 0.000 1.113 220 Y CA 1.565 59.650 58.100 -0.025 0.000 1.887 220 Y CB -2.283 36.213 38.460 0.059 0.000 1.602 220 Y HN 0.190 8.221 8.280 -0.228 0.113 0.654 221 Q N -5.664 114.245 119.800 0.182 0.000 2.353 221 Q HA 0.053 4.520 4.340 0.212 0.000 0.240 221 Q C -1.181 174.929 176.000 0.184 0.000 0.868 221 Q CA 0.569 56.480 55.803 0.181 0.000 0.944 221 Q CB 2.623 31.440 28.738 0.132 0.000 1.104 221 Q HN 0.333 8.599 8.270 0.088 0.056 0.531 222 Q N -2.418 117.444 119.800 0.104 0.000 2.340 222 Q HA 0.529 5.159 4.340 0.276 -0.123 0.276 222 Q C -2.005 174.011 176.000 0.026 0.000 1.048 222 Q CA -0.952 54.940 55.803 0.148 0.000 0.832 222 Q CB 4.650 33.435 28.738 0.078 0.000 1.373 222 Q HN -0.621 7.640 8.270 -0.016 0.000 0.409 223 F N 2.346 122.324 119.950 0.047 0.000 2.311 223 F HA 0.332 4.862 4.527 0.004 0.000 0.371 223 F C -0.258 175.561 175.800 0.031 0.000 1.083 223 F CA -1.651 56.368 58.000 0.032 0.000 1.113 223 F CB 0.923 39.954 39.000 0.052 0.000 1.349 223 F HN 1.240 9.694 8.300 0.483 0.136 0.470 224 V N 5.965 125.929 119.914 0.083 0.000 2.389 224 V HA 0.034 4.342 4.120 0.079 -0.141 0.264 224 V C -0.917 175.213 176.094 0.060 0.000 1.049 224 V CA 0.364 62.699 62.300 0.059 0.000 0.932 224 V CB 0.346 32.174 31.823 0.008 0.000 1.011 224 V HN 0.232 8.413 8.190 -0.015 0.000 0.475 225 V N 4.516 124.474 119.914 0.073 0.000 2.370 225 V HA 0.388 4.546 4.120 0.064 0.000 0.279 225 V C -1.429 174.674 176.094 0.015 0.000 1.029 225 V CA -2.050 60.286 62.300 0.059 0.000 0.870 225 V CB 1.213 33.087 31.823 0.085 0.000 0.984 225 V HN 0.766 9.004 8.190 0.079 0.000 0.451 226 K N 8.190 128.593 120.400 0.005 0.000 2.395 226 K HA -0.009 4.507 4.320 -0.019 -0.208 0.283 226 K C 0.740 177.320 176.600 -0.034 0.000 1.068 226 K CA -0.595 55.683 56.287 -0.016 0.000 1.039 226 K CB -0.896 31.597 32.500 -0.013 0.000 0.924 226 K HN 0.513 8.773 8.250 0.016 0.000 0.468 227 G N 0.756 109.527 108.800 -0.049 0.000 2.544 227 G HA2 -0.148 3.889 3.960 -0.080 0.000 0.242 227 G HA3 -0.148 3.908 3.960 -0.086 -0.148 0.242 227 G C -0.154 174.709 174.900 -0.062 0.000 1.247 227 G CA -0.172 44.885 45.100 -0.072 0.000 0.840 227 G HN -0.330 8.097 8.290 -0.046 -0.164 0.578 228 G N 2.238 110.997 108.800 -0.068 0.000 2.141 228 G HA2 -0.367 3.564 3.960 -0.047 0.000 0.231 228 G HA3 -0.367 3.566 3.960 -0.045 0.000 0.231 228 G C -0.055 174.809 174.900 -0.061 0.000 0.984 228 G CA -0.263 44.804 45.100 -0.054 0.000 0.660 228 G HN 0.041 8.177 8.290 -0.078 0.107 0.525 229 Q N 0.155 119.900 119.800 -0.092 0.000 2.544 229 Q HA 0.018 4.310 4.340 -0.080 0.000 0.194 229 Q C -0.467 175.439 176.000 -0.157 0.000 1.104 229 Q CA -0.834 54.895 55.803 -0.124 0.000 1.131 229 Q CB 0.858 29.494 28.738 -0.170 0.000 1.210 229 Q HN 0.424 8.505 8.270 -0.096 0.131 0.639 230 S N -2.687 112.897 115.700 -0.194 0.000 2.288 230 S HA 0.055 4.362 4.470 -0.272 0.000 0.258 230 S C -1.494 173.098 174.600 -0.013 0.000 0.919 230 S CA 0.272 58.402 58.200 -0.117 0.000 1.010 230 S CB 0.661 63.960 63.200 0.165 0.000 1.231 230 S HN 0.152 8.351 8.310 -0.184 0.000 0.403 231 Y N 2.330 122.703 120.300 0.121 0.000 2.757 231 Y HA -0.178 4.482 4.550 0.182 0.000 0.344 231 Y C 0.209 176.281 175.900 0.286 0.000 1.263 231 Y CA 0.620 58.829 58.100 0.183 0.000 1.493 231 Y CB 0.194 38.701 38.460 0.079 0.000 1.342 231 Y HN 0.032 7.857 8.280 -0.760 0.000 0.627 232 Q N -0.732 119.346 119.800 0.464 0.000 2.387 232 Q HA 0.218 4.843 4.340 0.344 -0.078 0.273 232 Q C -1.032 175.099 176.000 0.219 0.000 1.089 232 Q CA -2.265 53.722 55.803 0.307 0.000 0.824 232 Q CB 3.802 32.645 28.738 0.174 0.000 1.367 232 Q HN -0.446 8.018 8.270 0.499 0.105 0.443 233 S N 1.598 117.378 115.700 0.134 0.000 2.519 233 S HA -0.037 4.413 4.470 -0.032 0.000 0.310 233 S C -0.420 174.110 174.600 -0.115 0.000 1.201 233 S CA -1.379 56.822 58.200 0.002 0.000 1.179 233 S CB 0.426 63.652 63.200 0.044 0.000 1.104 233 S HN -0.185 8.224 8.310 0.164 0.000 0.527 234 P HA 0.058 4.377 4.420 -0.167 0.000 0.219 234 P C -0.239 176.968 177.300 -0.155 0.000 1.150 234 P CA 0.379 63.318 63.100 -0.269 0.000 0.814 234 P CB 0.696 32.104 31.700 -0.487 0.000 0.787 235 G N -0.348 108.362 108.800 -0.150 0.000 2.436 235 G HA2 -0.188 3.748 3.960 -0.041 0.000 0.205 235 G HA3 -0.188 3.745 3.960 -0.045 0.000 0.205 235 G C -2.328 172.552 174.900 -0.033 0.000 1.188 235 G CA -0.432 44.631 45.100 -0.063 0.000 1.267 235 G HN 0.222 8.361 8.290 -0.221 0.018 0.536 236 T N 5.954 120.506 114.554 -0.004 0.000 2.728 236 T HA 0.080 4.449 4.350 0.032 0.000 0.296 236 T C -1.521 173.218 174.700 0.064 0.000 0.940 236 T CA 0.799 62.913 62.100 0.023 0.000 1.013 236 T CB 0.363 69.236 68.868 0.008 0.000 0.912 236 T HN -0.001 8.233 8.240 -0.009 0.000 0.484 237 Y N 8.728 128.995 120.300 -0.055 0.000 2.446 237 Y HA 0.290 4.810 4.550 -0.049 0.000 0.345 237 Y C -2.633 173.261 175.900 -0.010 0.000 0.984 237 Y CA -1.156 56.917 58.100 -0.046 0.000 1.058 237 Y CB 4.017 42.436 38.460 -0.068 0.000 1.220 237 Y HN 0.935 9.174 8.280 0.136 0.124 0.455 238 L N 5.890 126.544 121.223 -0.948 0.000 2.257 238 L HA 0.146 4.243 4.340 -0.406 0.000 0.290 238 L C -0.844 175.408 176.870 -1.031 0.000 1.044 238 L CA -0.817 53.590 54.840 -0.721 0.000 0.810 238 L CB 1.000 42.818 42.059 -0.403 0.000 1.193 238 L HN 0.274 7.894 8.230 -1.017 0.000 0.425 239 V N 6.832 126.477 119.914 -0.448 0.000 2.214 239 V HA -0.314 3.864 4.120 0.096 0.000 0.244 239 V C -0.037 176.000 176.094 -0.096 0.000 1.045 239 V CA 2.669 64.895 62.300 -0.122 0.000 0.993 239 V CB 0.374 32.211 31.823 0.024 0.000 0.633 239 V HN 0.902 8.819 8.190 -0.266 0.114 0.449 240 E N 0.000 120.155 120.200 -0.075 0.000 2.725 240 E HA 0.000 4.326 4.350 -0.040 0.000 0.291 240 E CA 0.000 56.375 56.400 -0.041 0.000 0.976 240 E CB 0.000 29.662 29.700 -0.064 0.000 0.812 240 E HN 0.000 8.315 8.360 -0.075 0.000 0.440