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 3lgv_1_D DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRGLNT NSHNQLEIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPYNLGQTI TQGIISATGR IGXXXXXXQN DATA SEQUENCE FLQTDASINP GNSGGALVNS LGELMGINTL SFXXXXXXXX PEGIGFAIPF DATA SEQUENCE QLATKIMDKL IRDGRVI 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 39 S HA 0.000 4.466 4.470 -0.007 0.000 0.327 39 S C 0.000 174.596 174.600 -0.006 0.000 1.055 39 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 39 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 40 T N 2.323 116.874 114.554 -0.005 0.000 2.904 40 T HA -0.053 4.294 4.350 -0.005 0.000 0.267 40 T C 0.180 174.876 174.700 -0.006 0.000 1.059 40 T CA 1.898 63.995 62.100 -0.005 0.000 1.137 40 T CB -0.077 68.789 68.868 -0.004 0.000 0.879 40 T HN -0.185 8.053 8.240 -0.005 0.000 0.467 41 D N 0.193 120.589 120.400 -0.006 0.000 2.349 41 D HA 0.190 4.825 4.640 -0.007 0.000 0.214 41 D C -0.622 175.673 176.300 -0.009 0.000 1.063 41 D CA 0.199 54.195 54.000 -0.007 0.000 0.847 41 D CB 0.252 41.048 40.800 -0.006 0.000 0.933 41 D HN 0.005 8.372 8.370 -0.006 0.000 0.513 42 E N 0.388 120.582 120.200 -0.010 0.000 2.390 42 E HA 0.026 4.369 4.350 -0.013 0.000 0.261 42 E C -0.806 175.785 176.600 -0.016 0.000 1.076 42 E CA 0.553 56.946 56.400 -0.013 0.000 0.905 42 E CB 0.699 30.392 29.700 -0.013 0.000 0.984 42 E HN -0.494 7.817 8.360 -0.009 0.043 0.427 43 T N 4.780 119.321 114.554 -0.020 0.000 2.772 43 T HA 0.259 4.595 4.350 -0.024 0.000 0.288 43 T C -1.728 172.951 174.700 -0.035 0.000 0.994 43 T CA -2.095 59.989 62.100 -0.026 0.000 0.951 43 T CB 0.210 69.062 68.868 -0.027 0.000 0.933 43 T HN 0.083 8.310 8.240 -0.021 0.000 0.447 44 P HA 0.030 4.425 4.420 -0.042 0.000 0.268 44 P C -0.427 176.828 177.300 -0.074 0.000 1.205 44 P CA -0.547 62.525 63.100 -0.046 0.000 0.771 44 P CB 0.473 32.151 31.700 -0.037 0.000 0.858 45 A N 2.917 125.682 122.820 -0.092 0.000 2.520 45 A HA -0.058 4.163 4.320 -0.166 0.000 0.245 45 A C -0.800 176.657 177.584 -0.213 0.000 1.072 45 A CA 0.938 52.879 52.037 -0.159 0.000 0.761 45 A CB -0.139 18.768 19.000 -0.154 0.000 1.004 45 A HN 0.105 8.209 8.150 -0.076 0.000 0.499 46 S N 1.897 117.405 115.700 -0.320 0.000 2.543 46 S HA 0.082 4.398 4.470 -0.256 0.000 0.274 46 S C -1.078 173.275 174.600 -0.412 0.000 1.149 46 S CA -0.171 57.858 58.200 -0.286 0.000 0.866 46 S CB 0.833 63.963 63.200 -0.117 0.000 1.111 46 S HN -0.148 7.947 8.310 -0.358 0.000 0.457 47 Y N 2.512 122.813 120.300 0.002 0.000 2.658 47 Y HA 0.175 4.725 4.550 0.000 0.000 0.276 47 Y C 0.231 176.131 175.900 0.000 0.000 1.167 47 Y CA -0.729 57.371 58.100 0.001 0.000 1.230 47 Y CB -0.281 38.179 38.460 0.001 0.000 1.144 47 Y HN 0.238 8.520 8.280 0.002 0.000 0.529 48 N N 1.594 120.339 118.700 0.076 0.000 2.094 48 N HA -0.415 4.363 4.740 0.063 0.000 0.191 48 N C 1.202 176.741 175.510 0.047 0.000 1.023 48 N CA 3.468 56.549 53.050 0.052 0.000 0.857 48 N CB 0.251 38.749 38.487 0.020 0.000 1.013 48 N HN -0.404 7.910 8.380 0.024 0.080 0.426 49 L N -0.840 120.407 121.223 0.039 0.000 2.013 49 L HA -0.306 4.048 4.340 0.023 0.000 0.212 49 L C 1.041 177.937 176.870 0.043 0.000 1.073 49 L CA 3.014 57.874 54.840 0.033 0.000 0.753 49 L CB -0.272 41.803 42.059 0.026 0.000 0.890 49 L HN -0.139 8.109 8.230 0.030 0.000 0.432 50 A N -2.682 120.180 122.820 0.070 0.000 1.933 50 A HA -0.393 3.950 4.320 0.037 0.000 0.218 50 A C 2.121 179.728 177.584 0.038 0.000 1.175 50 A CA 2.849 54.919 52.037 0.056 0.000 0.628 50 A CB -0.846 18.201 19.000 0.079 0.000 0.814 50 A HN -0.677 7.533 8.150 0.099 0.000 0.444 51 V N -1.309 118.635 119.914 0.050 0.000 2.307 51 V HA -0.602 3.535 4.120 0.029 0.000 0.245 51 V C 2.349 178.458 176.094 0.025 0.000 1.045 51 V CA 4.215 66.537 62.300 0.036 0.000 1.024 51 V CB -0.326 31.524 31.823 0.045 0.000 0.651 51 V HN -0.586 7.538 8.190 0.068 0.107 0.449 52 R N -1.563 118.951 120.500 0.025 0.000 2.193 52 R HA -0.281 4.070 4.340 0.018 0.000 0.229 52 R C 2.054 178.362 176.300 0.013 0.000 1.110 52 R CA 3.116 59.227 56.100 0.018 0.000 0.988 52 R CB -0.369 29.941 30.300 0.016 0.000 0.871 52 R HN -0.144 8.143 8.270 0.029 0.000 0.458 53 R N -3.423 117.084 120.500 0.011 0.000 2.090 53 R HA -0.068 4.274 4.340 0.003 0.000 0.219 53 R C 0.666 176.965 176.300 -0.002 0.000 1.100 53 R CA 2.430 58.532 56.100 0.003 0.000 0.991 53 R CB 0.441 30.741 30.300 -0.000 0.000 0.893 53 R HN -0.622 7.619 8.270 0.015 0.038 0.443 54 A N -3.003 119.816 122.820 -0.002 0.000 1.963 54 A HA 0.198 4.510 4.320 -0.013 0.000 0.207 54 A C 1.375 178.959 177.584 -0.001 0.000 1.243 54 A CA 1.212 53.244 52.037 -0.008 0.000 0.728 54 A CB 0.587 19.577 19.000 -0.017 0.000 0.895 54 A HN -0.624 7.528 8.150 0.003 0.000 0.467 55 A N 0.142 122.966 122.820 0.006 0.000 1.884 55 A HA -0.198 4.126 4.320 0.008 0.000 0.219 55 A C -1.174 176.418 177.584 0.014 0.000 1.197 55 A CA 4.487 56.531 52.037 0.010 0.000 0.637 55 A CB -2.561 16.449 19.000 0.016 0.000 0.827 55 A HN -0.055 8.099 8.150 0.008 0.000 0.450 56 P HA -0.237 4.198 4.420 0.026 0.000 0.223 56 P C -0.367 176.946 177.300 0.022 0.000 1.144 56 P CA 1.799 64.912 63.100 0.021 0.000 0.783 56 P CB -0.443 31.269 31.700 0.020 0.000 0.771 57 A N -5.402 117.426 122.820 0.013 0.000 2.238 57 A HA 0.182 4.511 4.320 0.014 0.000 0.210 57 A C -1.291 176.300 177.584 0.012 0.000 1.179 57 A CA -0.622 51.421 52.037 0.011 0.000 0.827 57 A CB 0.967 19.969 19.000 0.003 0.000 0.856 57 A HN -0.568 7.541 8.150 0.009 0.046 0.488 58 V N 0.053 119.974 119.914 0.012 0.000 2.385 58 V HA 0.361 4.642 4.120 0.005 -0.158 0.269 58 V C -0.284 175.818 176.094 0.014 0.000 1.043 58 V CA 0.107 62.412 62.300 0.008 0.000 0.906 58 V CB 0.538 32.363 31.823 0.002 0.000 0.995 58 V HN -0.378 7.653 8.190 0.013 0.167 0.467 59 V N 2.229 122.150 119.914 0.011 0.000 2.715 59 V HA 0.483 4.709 4.120 0.037 -0.084 0.310 59 V C -1.225 174.861 176.094 -0.014 0.000 1.054 59 V CA -3.255 59.058 62.300 0.023 0.000 0.928 59 V CB 3.131 34.982 31.823 0.045 0.000 1.007 59 V HN 0.587 8.780 8.190 0.004 0.000 0.437 60 N N 2.888 121.578 118.700 -0.016 0.000 2.497 60 N HA 0.089 4.841 4.740 -0.187 -0.124 0.271 60 N C -0.590 174.804 175.510 -0.194 0.000 1.142 60 N CA -0.571 52.389 53.050 -0.149 0.000 0.965 60 N CB 0.576 38.977 38.487 -0.144 0.000 1.077 60 N HN -0.270 8.128 8.380 0.030 0.000 0.462 61 V N 2.731 122.455 119.914 -0.317 0.000 2.459 61 V HA 0.330 4.553 4.120 -0.061 -0.139 0.295 61 V C -1.560 174.313 176.094 -0.368 0.000 1.029 61 V CA -0.851 61.327 62.300 -0.204 0.000 0.874 61 V CB 2.041 33.797 31.823 -0.111 0.000 0.985 61 V HN -0.152 7.726 8.190 -0.339 0.109 0.438 62 Y N 4.728 125.032 120.300 0.007 0.000 2.364 62 Y HA 0.164 4.716 4.550 0.003 0.000 0.340 62 Y C -1.598 174.304 175.900 0.003 0.000 0.975 62 Y CA -1.357 56.746 58.100 0.006 0.000 1.089 62 Y CB 2.788 41.254 38.460 0.010 0.000 1.192 62 Y HN 0.737 9.139 8.280 0.204 0.000 0.454 63 N N 3.997 122.773 118.700 0.126 0.000 2.527 63 N HA 0.260 5.043 4.740 0.073 0.000 0.236 63 N C -1.357 174.203 175.510 0.082 0.000 0.999 63 N CA -1.240 51.858 53.050 0.079 0.000 0.935 63 N CB 0.872 39.382 38.487 0.038 0.000 1.132 63 N HN 0.478 8.922 8.380 0.106 0.000 0.511 64 R N 5.045 125.588 120.500 0.071 0.000 2.486 64 R HA 0.629 5.170 4.340 0.047 -0.173 0.286 64 R C -0.537 175.779 176.300 0.026 0.000 0.999 64 R CA -1.241 54.886 56.100 0.045 0.000 0.993 64 R CB 3.180 33.498 30.300 0.029 0.000 1.084 64 R HN -0.051 8.262 8.270 0.072 0.000 0.487 65 G N -0.862 107.946 108.800 0.014 0.000 2.642 65 G HA2 0.826 4.935 3.960 0.008 0.000 0.293 65 G HA3 0.826 4.791 3.960 0.008 0.000 0.293 65 G C -2.641 172.253 174.900 -0.009 0.000 1.341 65 G CA -1.243 43.861 45.100 0.006 0.000 0.916 65 G HN 0.236 8.533 8.290 0.011 0.000 0.474 66 L N -1.225 119.991 121.223 -0.011 0.000 2.331 66 L HA 0.005 4.325 4.340 -0.034 0.000 0.278 66 L C -1.107 175.744 176.870 -0.031 0.000 1.106 66 L CA -0.210 54.616 54.840 -0.024 0.000 0.824 66 L CB 0.619 42.669 42.059 -0.015 0.000 1.142 66 L HN 0.143 8.657 8.230 -0.005 -0.287 0.443 67 N N 2.197 120.863 118.700 -0.056 0.000 2.469 67 N HA 0.173 4.890 4.740 -0.039 0.000 0.253 67 N C 0.400 175.876 175.510 -0.057 0.000 0.970 67 N CA -0.952 52.063 53.050 -0.059 0.000 0.940 67 N CB 1.437 39.873 38.487 -0.084 0.000 1.128 67 N HN -0.304 8.031 8.380 -0.076 0.000 0.503 68 T N 7.288 121.823 114.554 -0.031 0.000 2.821 68 T HA -0.206 4.313 4.350 -0.017 -0.179 0.267 68 T C 0.650 175.341 174.700 -0.016 0.000 1.046 68 T CA 2.646 64.735 62.100 -0.019 0.000 1.139 68 T CB 0.030 68.893 68.868 -0.008 0.000 0.871 68 T HN 0.409 8.635 8.240 -0.024 0.000 0.454 69 N N -0.411 118.277 118.700 -0.020 0.000 2.166 69 N HA -0.134 4.605 4.740 -0.001 0.000 0.186 69 N C 0.114 175.620 175.510 -0.006 0.000 1.019 69 N CA 2.162 55.206 53.050 -0.010 0.000 0.856 69 N CB 0.086 38.567 38.487 -0.010 0.000 0.993 69 N HN -0.401 8.176 8.380 -0.023 -0.211 0.426 70 S N -0.650 115.023 115.700 -0.044 0.000 3.161 70 S HA -0.016 4.483 4.470 0.049 0.000 0.214 70 S C -0.222 174.379 174.600 0.001 0.000 1.105 70 S CA -0.092 58.086 58.200 -0.037 0.000 1.369 70 S CB 1.288 64.367 63.200 -0.202 0.000 0.959 70 S HN -0.634 7.631 8.310 -0.076 0.000 0.572 71 H N -1.409 117.662 119.070 0.001 0.000 2.550 71 H HA 0.224 4.780 4.556 0.001 0.000 0.304 71 H C -0.254 175.074 175.328 0.001 0.000 1.086 71 H CA -0.917 55.131 56.048 0.001 0.000 1.089 71 H CB -1.273 28.489 29.762 -0.001 0.000 1.528 71 H HN 0.013 7.787 8.280 -0.842 0.000 0.539 72 N N -2.682 115.961 118.700 -0.094 0.000 2.782 72 N HA -0.460 4.426 4.740 -0.070 -0.188 0.251 72 N C -0.900 174.549 175.510 -0.100 0.000 1.101 72 N CA 1.453 54.461 53.050 -0.069 0.000 0.764 72 N CB -1.353 37.130 38.487 -0.008 0.000 1.122 72 N HN -0.161 8.075 8.380 -0.114 0.075 0.561 73 Q N -1.510 118.142 119.800 -0.248 0.000 2.421 73 Q HA -0.064 4.226 4.340 -0.083 0.000 0.255 73 Q C -0.571 175.357 176.000 -0.120 0.000 1.013 73 Q CA 0.293 55.977 55.803 -0.198 0.000 0.895 73 Q CB 0.931 29.424 28.738 -0.409 0.000 1.271 73 Q HN -0.513 7.451 8.270 -0.436 0.044 0.460 74 L N 4.254 125.440 121.223 -0.061 0.000 2.410 74 L HA 0.076 4.616 4.340 -0.036 -0.221 0.273 74 L C 0.401 177.246 176.870 -0.041 0.000 1.152 74 L CA 0.643 55.460 54.840 -0.039 0.000 0.855 74 L CB 0.124 42.171 42.059 -0.020 0.000 1.129 74 L HN 0.221 8.426 8.230 -0.042 0.000 0.463 75 E N 2.026 122.209 120.200 -0.028 0.000 2.314 75 E HA 0.242 4.580 4.350 -0.019 0.000 0.272 75 E C -0.948 175.658 176.600 0.010 0.000 0.884 75 E CA -2.253 54.137 56.400 -0.017 0.000 0.753 75 E CB 3.862 33.548 29.700 -0.024 0.000 1.213 75 E HN -0.032 8.315 8.360 -0.022 0.000 0.432 76 I N 3.313 123.899 120.570 0.027 0.000 2.581 76 I HA -0.322 4.028 4.170 0.077 -0.133 0.285 76 I C 0.652 176.804 176.117 0.058 0.000 1.129 76 I CA 1.805 63.145 61.300 0.067 0.000 1.397 76 I CB -0.561 37.505 38.000 0.110 0.000 1.399 76 I HN 0.629 8.850 8.210 0.019 0.000 0.537 77 R N 8.030 128.563 120.500 0.055 0.000 2.175 77 R HA 0.118 4.481 4.340 0.038 0.000 0.202 77 R C 0.114 176.444 176.300 0.050 0.000 1.018 77 R CA 0.836 56.962 56.100 0.044 0.000 1.029 77 R CB 1.486 31.806 30.300 0.033 0.000 0.959 77 R HN 0.619 8.924 8.270 0.058 0.000 0.480 78 T N 0.352 114.939 114.554 0.056 0.000 3.159 78 T HA 0.196 4.573 4.350 0.044 0.000 0.343 78 T C -2.494 172.222 174.700 0.028 0.000 1.364 78 T CA -0.344 61.782 62.100 0.043 0.000 1.102 78 T CB 2.396 71.286 68.868 0.037 0.000 1.263 78 T HN -0.637 7.643 8.240 0.065 0.000 0.477 79 L N 0.446 121.664 121.223 -0.008 0.000 2.235 79 L HA 1.055 5.427 4.340 -0.114 -0.100 0.260 79 L C -0.727 176.061 176.870 -0.138 0.000 1.025 79 L CA -2.221 52.558 54.840 -0.102 0.000 0.836 79 L CB 2.988 44.963 42.059 -0.141 0.000 1.395 79 L HN 0.105 8.335 8.230 -0.001 0.000 0.443 80 G N -2.528 106.142 108.800 -0.218 0.000 2.393 80 G HA2 0.267 4.253 3.960 -0.143 0.000 0.264 80 G HA3 0.267 4.135 3.960 -0.154 0.000 0.264 80 G C -2.063 172.726 174.900 -0.186 0.000 1.221 80 G CA 0.915 45.912 45.100 -0.171 0.000 0.912 80 G HN -0.170 7.930 8.290 -0.317 0.000 0.483 81 S N -0.317 115.305 115.700 -0.129 0.000 2.704 81 S HA 1.058 5.597 4.470 -0.117 -0.140 0.296 81 S C -1.408 173.151 174.600 -0.070 0.000 1.138 81 S CA -1.780 56.361 58.200 -0.098 0.000 0.875 81 S CB 4.041 67.201 63.200 -0.066 0.000 1.151 81 S HN 0.486 8.728 8.310 -0.115 0.000 0.500 82 G N -2.358 106.417 108.800 -0.042 0.000 2.646 82 G HA2 0.726 4.942 3.960 -0.021 0.000 0.291 82 G HA3 0.726 4.674 3.960 -0.020 0.000 0.291 82 G C -3.343 171.553 174.900 -0.006 0.000 1.445 82 G CA 0.235 45.322 45.100 -0.022 0.000 0.814 82 G HN -0.119 8.149 8.290 -0.038 0.000 0.495 83 V N 0.062 119.979 119.914 0.004 0.000 2.638 83 V HA 0.474 4.750 4.120 0.006 -0.152 0.306 83 V C -1.032 175.071 176.094 0.015 0.000 1.052 83 V CA -1.695 60.610 62.300 0.009 0.000 0.885 83 V CB 3.935 35.764 31.823 0.010 0.000 0.999 83 V HN 0.148 8.342 8.190 0.007 0.000 0.424 84 I N 7.796 128.373 120.570 0.012 0.000 2.363 84 I HA 0.033 4.357 4.170 0.018 -0.143 0.292 84 I C 0.124 176.253 176.117 0.020 0.000 1.075 84 I CA 0.630 61.937 61.300 0.013 0.000 1.333 84 I CB -0.341 37.657 38.000 -0.002 0.000 1.415 84 I HN 0.353 8.568 8.210 0.009 0.000 0.502 85 M N 6.350 125.975 119.600 0.041 0.000 2.193 85 M HA -0.093 4.403 4.480 0.026 0.000 0.265 85 M C 0.191 176.515 176.300 0.040 0.000 1.071 85 M CA 0.312 55.636 55.300 0.040 0.000 1.140 85 M CB 0.048 32.678 32.600 0.050 0.000 1.369 85 M HN 0.067 8.392 8.290 0.059 0.000 0.423 86 D N -6.566 113.871 120.400 0.061 0.000 2.752 86 D HA 0.167 4.826 4.640 0.031 0.000 0.313 86 D C 0.349 176.672 176.300 0.038 0.000 1.225 86 D CA -1.244 52.787 54.000 0.052 0.000 0.976 86 D CB 0.507 41.349 40.800 0.070 0.000 1.443 86 D HN -0.829 7.591 8.370 0.083 0.000 0.515 87 Q N -2.981 116.834 119.800 0.025 0.000 2.167 87 Q HA -0.211 4.118 4.340 -0.018 0.000 0.202 87 Q C 1.192 177.178 176.000 -0.023 0.000 0.970 87 Q CA 2.300 58.101 55.803 -0.004 0.000 0.855 87 Q CB -0.099 28.639 28.738 -0.000 0.000 0.911 87 Q HN 0.307 8.595 8.270 0.030 0.000 0.438 88 R N -3.475 117.036 120.500 0.018 0.000 2.293 88 R HA -0.217 4.096 4.340 -0.044 0.000 0.219 88 R C 0.510 176.691 176.300 -0.198 0.000 1.091 88 R CA 0.610 56.695 56.100 -0.026 0.000 1.004 88 R CB 0.232 30.613 30.300 0.136 0.000 0.865 88 R HN -0.525 7.919 8.270 0.068 -0.133 0.469 89 G N -4.131 104.573 108.800 -0.159 0.000 2.130 89 G HA2 -0.400 3.445 3.960 -0.191 0.000 0.216 89 G HA3 -0.400 3.374 3.960 -0.309 0.000 0.216 89 G C -0.754 173.978 174.900 -0.280 0.000 0.999 89 G CA -0.253 44.700 45.100 -0.245 0.000 0.686 89 G HN -0.602 7.585 8.290 -0.068 0.062 0.515 90 Y N -0.248 120.019 120.300 -0.055 0.000 2.309 90 Y HA 0.332 5.048 4.550 -0.040 -0.190 0.327 90 Y C -0.710 175.169 175.900 -0.035 0.000 1.172 90 Y CA 0.643 58.720 58.100 -0.039 0.000 1.280 90 Y CB 1.415 39.858 38.460 -0.028 0.000 1.234 90 Y HN -1.072 7.424 8.280 0.083 -0.166 0.512 91 I N 0.198 120.848 120.570 0.133 0.000 2.582 91 I HA 0.543 4.934 4.170 0.056 -0.188 0.292 91 I C -1.066 175.087 176.117 0.061 0.000 1.066 91 I CA -1.563 59.775 61.300 0.064 0.000 1.053 91 I CB 4.396 42.409 38.000 0.022 0.000 1.241 91 I HN -0.019 8.287 8.210 0.161 0.000 0.421 92 I N 5.496 126.089 120.570 0.039 0.000 2.498 92 I HA 0.742 5.088 4.170 0.027 -0.160 0.301 92 I C -0.736 175.386 176.117 0.008 0.000 0.984 92 I CA -1.122 60.193 61.300 0.025 0.000 1.204 92 I CB 2.637 40.651 38.000 0.023 0.000 1.362 92 I HN 0.328 8.559 8.210 0.035 0.000 0.471 93 T N 3.511 118.063 114.554 -0.004 0.000 2.648 93 T HA 0.352 4.686 4.350 -0.026 0.000 0.304 93 T C -2.146 172.530 174.700 -0.040 0.000 1.312 93 T CA -2.267 59.816 62.100 -0.029 0.000 1.023 93 T CB 1.402 70.241 68.868 -0.048 0.000 1.612 93 T HN 0.335 8.574 8.240 -0.000 0.000 0.487 94 N N 0.653 119.295 118.700 -0.097 0.000 2.479 94 N HA 0.381 5.296 4.740 -0.025 -0.190 0.285 94 N C 0.739 176.157 175.510 -0.153 0.000 1.075 94 N CA -0.244 52.736 53.050 -0.117 0.000 0.967 94 N CB 1.325 39.679 38.487 -0.221 0.000 1.137 94 N HN 0.385 8.685 8.380 -0.134 0.000 0.472 95 K N 5.982 126.362 120.400 -0.034 0.000 2.074 95 K HA -0.424 3.885 4.320 -0.017 0.000 0.209 95 K C 1.651 178.241 176.600 -0.016 0.000 1.048 95 K CA 3.420 59.703 56.287 -0.006 0.000 0.926 95 K CB 0.079 32.606 32.500 0.046 0.000 0.713 95 K HN 0.256 8.447 8.250 0.021 0.072 0.444 96 H N -3.348 115.732 119.070 0.016 0.000 2.545 96 H HA -0.108 4.454 4.556 0.011 0.000 0.282 96 H C 0.885 176.217 175.328 0.007 0.000 1.020 96 H CA 2.305 58.360 56.048 0.012 0.000 1.243 96 H CB -0.572 29.197 29.762 0.011 0.000 1.377 96 H HN -0.417 8.112 8.280 0.115 -0.180 0.581 97 V N -2.753 116.912 119.914 -0.415 0.000 2.788 97 V HA -0.194 3.800 4.120 -0.209 0.000 0.251 97 V C 0.029 176.063 176.094 -0.101 0.000 1.068 97 V CA 2.208 64.348 62.300 -0.267 0.000 1.090 97 V CB 0.877 32.517 31.823 -0.306 0.000 0.710 97 V HN -0.580 7.140 8.190 -0.500 0.170 0.467 98 I N -10.803 109.725 120.570 -0.071 0.000 3.947 98 I HA 0.185 4.347 4.170 -0.014 0.000 0.327 98 I C -1.136 174.981 176.117 0.001 0.000 1.519 98 I CA -2.093 59.194 61.300 -0.023 0.000 1.122 98 I CB 0.220 38.209 38.000 -0.018 0.000 1.146 98 I HN -0.733 7.324 8.210 -0.083 0.103 0.442 99 N N 3.866 122.572 118.700 0.010 0.000 2.483 99 N HA -0.137 4.617 4.740 0.022 0.000 0.264 99 N C -0.432 175.092 175.510 0.023 0.000 1.197 99 N CA 1.851 54.916 53.050 0.025 0.000 0.927 99 N CB 0.060 38.573 38.487 0.042 0.000 1.065 99 N HN -0.616 7.769 8.380 0.008 0.000 0.461 100 D N -2.771 117.642 120.400 0.020 0.000 2.772 100 D HA -0.342 4.308 4.640 0.017 0.000 0.233 100 D C -1.516 174.795 176.300 0.018 0.000 1.143 100 D CA 1.154 55.165 54.000 0.018 0.000 0.700 100 D CB -1.476 39.336 40.800 0.019 0.000 1.076 100 D HN 0.254 8.636 8.370 0.020 0.000 0.430 101 A N -3.107 119.724 122.820 0.019 0.000 2.331 101 A HA -0.031 4.428 4.320 0.023 -0.126 0.283 101 A C 0.135 177.730 177.584 0.020 0.000 1.142 101 A CA -0.686 51.364 52.037 0.021 0.000 0.812 101 A CB 1.496 20.510 19.000 0.023 0.000 1.074 101 A HN -0.759 7.386 8.150 0.018 0.016 0.497 102 D N 2.749 123.160 120.400 0.019 0.000 2.201 102 D HA 0.002 4.650 4.640 0.015 0.000 0.209 102 D C -0.192 176.119 176.300 0.019 0.000 0.961 102 D CA 2.096 56.105 54.000 0.016 0.000 0.861 102 D CB 0.952 41.758 40.800 0.011 0.000 0.997 102 D HN 0.146 8.527 8.370 0.019 0.000 0.486 103 Q N -1.396 118.419 119.800 0.024 0.000 2.274 103 Q HA 0.244 4.601 4.340 0.028 0.000 0.268 103 Q C -2.215 173.811 176.000 0.044 0.000 1.015 103 Q CA -0.588 55.233 55.803 0.030 0.000 0.775 103 Q CB 2.978 31.730 28.738 0.023 0.000 1.256 103 Q HN -0.726 7.560 8.270 0.026 0.000 0.442 104 I N 7.202 127.802 120.570 0.049 0.000 2.304 104 I HA 0.429 4.820 4.170 0.076 -0.176 0.291 104 I C -1.111 175.059 176.117 0.089 0.000 1.018 104 I CA -0.693 60.647 61.300 0.066 0.000 1.260 104 I CB 0.762 38.791 38.000 0.049 0.000 1.390 104 I HN 0.605 8.841 8.210 0.043 0.000 0.475 105 I N 7.932 128.582 120.570 0.133 0.000 2.354 105 I HA 0.434 4.822 4.170 0.124 -0.143 0.292 105 I C -1.156 175.104 176.117 0.238 0.000 0.989 105 I CA -1.169 60.224 61.300 0.156 0.000 1.188 105 I CB 2.156 40.218 38.000 0.105 0.000 1.342 105 I HN 0.075 8.381 8.210 0.160 0.000 0.457 106 V N 7.241 127.280 119.914 0.208 0.000 2.547 106 V HA 0.709 5.122 4.120 0.199 -0.173 0.299 106 V C -1.948 174.291 176.094 0.241 0.000 1.040 106 V CA -2.170 60.257 62.300 0.212 0.000 0.913 106 V CB 3.478 35.401 31.823 0.166 0.000 0.992 106 V HN 0.028 8.335 8.190 0.194 0.000 0.449 107 A N 5.749 128.709 122.820 0.233 0.000 2.353 107 A HA 0.651 5.199 4.320 0.166 -0.129 0.299 107 A C -1.930 175.747 177.584 0.155 0.000 1.089 107 A CA -1.748 50.408 52.037 0.198 0.000 0.736 107 A CB 2.755 21.910 19.000 0.257 0.000 1.195 107 A HN 0.453 8.726 8.150 0.206 0.000 0.447 108 L N 2.157 123.471 121.223 0.152 0.000 2.468 108 L HA 0.077 4.482 4.340 0.108 0.000 0.254 108 L C 1.815 178.736 176.870 0.085 0.000 1.171 108 L CA -0.290 54.624 54.840 0.123 0.000 0.809 108 L CB 1.149 43.303 42.059 0.158 0.000 1.155 108 L HN 0.035 8.364 8.230 0.165 0.000 0.473 109 Q N 1.345 121.185 119.800 0.067 0.000 2.432 109 Q HA -0.190 4.181 4.340 0.052 0.000 0.205 109 Q C 0.317 176.343 176.000 0.044 0.000 0.945 109 Q CA 2.372 58.206 55.803 0.051 0.000 0.924 109 Q CB -0.344 28.418 28.738 0.041 0.000 1.016 109 Q HN 0.847 9.156 8.270 0.065 0.000 0.503 110 D N -4.868 115.562 120.400 0.049 0.000 2.340 110 D HA -0.044 4.616 4.640 0.033 0.000 0.220 110 D C 0.656 176.974 176.300 0.029 0.000 1.039 110 D CA -0.557 53.467 54.000 0.040 0.000 0.866 110 D CB -0.977 39.851 40.800 0.046 0.000 0.913 110 D HN -0.467 7.904 8.370 0.061 0.035 0.523 111 G N -0.917 107.900 108.800 0.028 0.000 2.218 111 G HA2 -0.425 3.539 3.960 0.007 0.000 0.216 111 G HA3 -0.425 3.533 3.960 -0.003 0.000 0.216 111 G C -0.080 174.801 174.900 -0.031 0.000 0.994 111 G CA -0.388 44.714 45.100 0.003 0.000 0.637 111 G HN -0.658 7.604 8.290 0.040 0.052 0.505 112 R N 1.344 121.829 120.500 -0.024 0.000 2.643 112 R HA -0.022 4.188 4.340 -0.216 0.000 0.270 112 R C -1.018 175.163 176.300 -0.199 0.000 1.061 112 R CA 1.037 57.050 56.100 -0.145 0.000 1.107 112 R CB 1.070 31.355 30.300 -0.026 0.000 0.999 112 R HN -0.424 8.081 8.270 0.021 -0.222 0.460 113 V N 1.288 120.920 119.914 -0.469 0.000 2.789 113 V HA 0.632 4.834 4.120 -0.107 -0.147 0.311 113 V C -0.468 175.254 176.094 -0.619 0.000 1.073 113 V CA -1.163 60.944 62.300 -0.320 0.000 0.921 113 V CB 2.805 34.523 31.823 -0.175 0.000 1.009 113 V HN 0.168 7.989 8.190 -0.616 0.000 0.426 114 F N 3.742 123.701 119.950 0.015 0.000 2.629 114 F HA 0.402 4.929 4.527 -0.000 0.000 0.316 114 F C -1.541 174.266 175.800 0.010 0.000 1.081 114 F CA -1.637 56.367 58.000 0.006 0.000 0.954 114 F CB 4.221 43.221 39.000 -0.000 0.000 1.337 114 F HN 0.322 8.718 8.300 0.160 0.000 0.474 115 E N 0.873 121.202 120.200 0.214 0.000 2.242 115 E HA 0.534 5.082 4.350 0.109 -0.132 0.275 115 E C -1.762 174.902 176.600 0.106 0.000 1.002 115 E CA -1.089 55.384 56.400 0.123 0.000 0.841 115 E CB 2.427 32.173 29.700 0.076 0.000 1.109 115 E HN 0.274 8.773 8.360 0.233 0.000 0.394 116 A N 4.271 127.133 122.820 0.070 0.000 2.374 116 A HA 0.921 5.443 4.320 0.015 -0.193 0.317 116 A C -1.932 175.665 177.584 0.021 0.000 1.094 116 A CA -1.881 50.176 52.037 0.034 0.000 0.765 116 A CB 3.161 22.182 19.000 0.036 0.000 1.268 116 A HN 0.250 8.442 8.150 0.070 0.000 0.438 117 L N 0.360 121.584 121.223 0.002 0.000 2.322 117 L HA 0.404 4.752 4.340 0.014 0.000 0.279 117 L C -0.510 176.370 176.870 0.017 0.000 1.036 117 L CA -1.622 53.222 54.840 0.008 0.000 0.807 117 L CB 2.120 44.178 42.059 -0.002 0.000 1.226 117 L HN -0.064 8.156 8.230 -0.016 0.000 0.433 118 L N 2.926 124.163 121.223 0.023 0.000 2.342 118 L HA 0.054 4.412 4.340 0.031 0.000 0.285 118 L C 0.110 177.003 176.870 0.038 0.000 1.095 118 L CA 0.240 55.097 54.840 0.029 0.000 0.843 118 L CB -0.756 41.316 42.059 0.023 0.000 1.201 118 L HN 0.297 8.540 8.230 0.021 0.000 0.445 119 V N 6.423 126.372 119.914 0.059 0.000 2.323 119 V HA -0.259 3.906 4.120 0.075 0.000 0.244 119 V C -0.106 176.017 176.094 0.048 0.000 1.041 119 V CA 1.793 64.140 62.300 0.077 0.000 1.025 119 V CB 0.467 32.377 31.823 0.145 0.000 0.656 119 V HN -0.068 8.161 8.190 0.065 0.000 0.451 120 G N -5.600 103.223 108.800 0.037 0.000 2.411 120 G HA2 0.135 4.107 3.960 0.020 0.000 0.295 120 G HA3 0.135 4.209 3.960 0.017 -0.103 0.295 120 G C -3.531 171.378 174.900 0.016 0.000 1.542 120 G CA 0.077 45.190 45.100 0.021 0.000 0.814 120 G HN -0.863 7.451 8.290 0.041 0.000 0.557 121 S N -0.548 115.159 115.700 0.012 0.000 2.569 121 S HA 0.776 5.401 4.470 0.010 -0.149 0.280 121 S C -1.702 172.903 174.600 0.009 0.000 1.111 121 S CA -1.595 56.611 58.200 0.011 0.000 0.887 121 S CB 3.131 66.339 63.200 0.015 0.000 1.095 121 S HN 0.218 8.534 8.310 0.011 0.000 0.476 122 D N 1.501 121.906 120.400 0.009 0.000 2.505 122 D HA 0.386 5.030 4.640 0.006 0.000 0.250 122 D C 0.456 176.767 176.300 0.018 0.000 1.164 122 D CA -1.524 52.480 54.000 0.007 0.000 0.870 122 D CB 2.338 43.136 40.800 -0.003 0.000 1.160 122 D HN 0.041 8.417 8.370 0.011 0.000 0.549 123 S N 5.659 121.371 115.700 0.020 0.000 2.399 123 S HA -0.254 4.240 4.470 0.040 0.000 0.231 123 S C 0.891 175.509 174.600 0.030 0.000 1.022 123 S CA 2.719 60.937 58.200 0.029 0.000 0.983 123 S CB -0.002 63.212 63.200 0.023 0.000 0.803 123 S HN 0.350 8.669 8.310 0.016 0.000 0.480 124 L N 2.509 123.743 121.223 0.017 0.000 2.046 124 L HA -0.187 4.164 4.340 0.018 0.000 0.208 124 L C 1.259 178.141 176.870 0.020 0.000 1.077 124 L CA 2.548 57.397 54.840 0.014 0.000 0.747 124 L CB 0.423 42.482 42.059 -0.000 0.000 0.896 124 L HN -0.355 8.077 8.230 0.011 -0.196 0.432 125 T N -8.845 105.714 114.554 0.008 0.000 3.054 125 T HA -0.093 4.249 4.350 -0.013 0.000 0.255 125 T C -0.099 174.622 174.700 0.035 0.000 1.035 125 T CA -0.944 61.152 62.100 -0.007 0.000 0.941 125 T CB 1.145 69.983 68.868 -0.050 0.000 1.026 125 T HN -0.703 7.540 8.240 0.005 0.000 0.533 126 D N 0.617 121.054 120.400 0.061 0.000 2.772 126 D HA -0.353 4.383 4.640 0.096 -0.038 0.233 126 D C -1.542 174.802 176.300 0.073 0.000 1.143 126 D CA 1.441 55.501 54.000 0.100 0.000 0.700 126 D CB -1.074 39.831 40.800 0.176 0.000 1.076 126 D HN -0.296 7.944 8.370 0.051 0.161 0.430 127 L N -2.561 118.682 121.223 0.032 0.000 2.325 127 L HA 0.539 5.033 4.340 0.018 -0.144 0.278 127 L C -2.124 174.751 176.870 0.008 0.000 1.023 127 L CA -1.091 53.757 54.840 0.014 0.000 0.811 127 L CB 2.950 45.007 42.059 -0.003 0.000 1.249 127 L HN -0.807 7.421 8.230 0.024 0.016 0.431 128 A N 1.675 124.497 122.820 0.003 0.000 2.449 128 A HA 0.888 5.362 4.320 0.008 -0.150 0.302 128 A C -2.200 175.392 177.584 0.014 0.000 1.048 128 A CA -1.695 50.344 52.037 0.005 0.000 0.708 128 A CB 3.836 22.834 19.000 -0.004 0.000 1.274 128 A HN 0.643 8.793 8.150 -0.000 0.000 0.410 129 V N 1.600 121.530 119.914 0.028 0.000 2.547 129 V HA 0.896 5.249 4.120 0.056 -0.200 0.299 129 V C -0.822 175.317 176.094 0.075 0.000 1.040 129 V CA -1.827 60.508 62.300 0.058 0.000 0.913 129 V CB 2.084 33.946 31.823 0.065 0.000 0.992 129 V HN 0.166 8.372 8.190 0.026 0.000 0.449 130 L N 3.979 125.254 121.223 0.086 0.000 2.279 130 L HA 0.890 5.420 4.340 0.049 -0.161 0.262 130 L C -1.233 175.659 176.870 0.037 0.000 1.019 130 L CA -2.178 52.694 54.840 0.054 0.000 0.823 130 L CB 3.746 45.819 42.059 0.024 0.000 1.358 130 L HN 0.688 8.974 8.230 0.094 0.000 0.432 131 K N 0.372 120.742 120.400 -0.050 0.000 2.482 131 K HA 0.568 4.862 4.320 -0.320 -0.165 0.251 131 K C -1.617 174.878 176.600 -0.175 0.000 0.936 131 K CA -1.389 54.776 56.287 -0.205 0.000 0.791 131 K CB 2.974 35.339 32.500 -0.226 0.000 1.213 131 K HN -0.129 8.102 8.250 -0.032 0.000 0.428 132 I N 1.166 121.588 120.570 -0.248 0.000 2.608 132 I HA 0.566 4.644 4.170 -0.154 0.000 0.295 132 I C -2.202 173.737 176.117 -0.296 0.000 1.049 132 I CA -1.716 59.436 61.300 -0.247 0.000 1.063 132 I CB 3.217 41.010 38.000 -0.345 0.000 1.248 132 I HN 0.046 8.071 8.210 -0.309 0.000 0.424 133 N N 5.297 123.874 118.700 -0.205 0.000 2.500 133 N HA 0.165 4.798 4.740 -0.178 0.000 0.236 133 N C -1.320 174.097 175.510 -0.154 0.000 1.022 133 N CA -0.643 52.315 53.050 -0.153 0.000 0.935 133 N CB 0.093 38.547 38.487 -0.055 0.000 1.147 133 N HN 0.299 8.604 8.380 -0.125 0.000 0.512 134 A N 4.203 126.882 122.820 -0.235 0.000 2.356 134 A HA 0.376 4.694 4.320 -0.003 0.000 0.323 134 A C -0.471 177.100 177.584 -0.022 0.000 1.119 134 A CA -0.830 51.100 52.037 -0.179 0.000 0.790 134 A CB 1.856 20.578 19.000 -0.463 0.000 1.273 134 A HN 0.046 8.055 8.150 -0.236 0.000 0.452 135 T N 2.032 116.634 114.554 0.081 0.000 2.739 135 T HA -0.082 4.289 4.350 0.035 0.000 0.249 135 T C 1.148 175.870 174.700 0.037 0.000 1.050 135 T CA 1.128 63.263 62.100 0.057 0.000 1.165 135 T CB 0.177 69.092 68.868 0.079 0.000 0.872 135 T HN 0.188 8.530 8.240 0.170 0.000 0.411 136 G N 0.913 109.748 108.800 0.059 0.000 2.583 136 G HA2 -0.010 3.967 3.960 0.030 0.000 0.275 136 G HA3 -0.010 3.981 3.960 0.052 0.000 0.275 136 G C -0.907 174.003 174.900 0.017 0.000 1.342 136 G CA -0.759 44.365 45.100 0.040 0.000 1.030 136 G HN -0.488 7.857 8.290 0.092 0.000 0.520 137 G N -2.299 106.509 108.800 0.014 0.000 2.539 137 G HA2 0.130 4.083 3.960 -0.012 0.000 0.258 137 G HA3 0.130 4.092 3.960 0.003 0.000 0.258 137 G C -1.562 173.337 174.900 -0.002 0.000 1.202 137 G CA -0.539 44.560 45.100 -0.001 0.000 0.851 137 G HN -0.102 8.199 8.290 0.019 0.000 0.556 138 L N 0.883 122.094 121.223 -0.020 0.000 2.331 138 L HA 0.406 4.741 4.340 -0.009 0.000 0.275 138 L C -1.905 174.961 176.870 -0.006 0.000 1.022 138 L CA -2.638 52.188 54.840 -0.023 0.000 0.812 138 L CB 1.500 43.519 42.059 -0.067 0.000 1.257 138 L HN -0.460 8.026 8.230 -0.025 -0.271 0.435 139 P HA 0.145 4.569 4.420 0.006 0.000 0.276 139 P C -1.549 175.751 177.300 0.001 0.000 1.230 139 P CA -0.605 62.499 63.100 0.007 0.000 0.776 139 P CB 0.271 31.981 31.700 0.017 0.000 0.888 140 T N -1.431 113.122 114.554 -0.000 0.000 2.950 140 T HA 0.188 4.672 4.350 -0.000 -0.134 0.288 140 T C -0.240 174.456 174.700 -0.007 0.000 1.035 140 T CA -2.530 59.569 62.100 -0.002 0.000 1.028 140 T CB 2.942 71.810 68.868 -0.001 0.000 1.109 140 T HN -0.192 8.048 8.240 -0.000 0.000 0.514 141 I N 1.499 122.063 120.570 -0.010 0.000 2.441 141 I HA 0.206 4.363 4.170 -0.021 0.000 0.287 141 I C -2.189 173.905 176.117 -0.039 0.000 1.049 141 I CA -3.294 57.993 61.300 -0.023 0.000 1.381 141 I CB 1.444 39.431 38.000 -0.023 0.000 1.409 141 I HN -0.291 7.916 8.210 -0.005 0.000 0.523 142 P HA 0.051 4.440 4.420 -0.052 0.000 0.267 142 P C -1.856 175.375 177.300 -0.114 0.000 1.209 142 P CA -0.135 62.925 63.100 -0.066 0.000 0.763 142 P CB 0.330 31.995 31.700 -0.059 0.000 0.816 143 I N 2.445 122.946 120.570 -0.114 0.000 2.498 143 I HA 0.170 4.167 4.170 -0.289 0.000 0.290 143 I C -1.244 174.782 176.117 -0.152 0.000 1.032 143 I CA -0.518 60.674 61.300 -0.179 0.000 1.073 143 I CB 3.157 41.096 38.000 -0.101 0.000 1.251 143 I HN -0.049 8.112 8.210 -0.081 0.000 0.426 144 N N 7.345 125.902 118.700 -0.238 0.000 2.696 144 N HA 0.121 4.826 4.740 -0.058 0.000 0.246 144 N C 0.183 175.678 175.510 -0.025 0.000 1.057 144 N CA -1.162 51.820 53.050 -0.115 0.000 0.867 144 N CB 0.333 38.758 38.487 -0.103 0.000 1.141 144 N HN 0.232 8.368 8.380 -0.406 0.000 0.517 145 A N 4.587 127.467 122.820 0.099 0.000 2.131 145 A HA -0.179 4.484 4.320 0.573 0.000 0.220 145 A C 0.933 178.656 177.584 0.231 0.000 1.158 145 A CA 2.276 54.482 52.037 0.281 0.000 0.665 145 A CB -0.067 19.034 19.000 0.169 0.000 0.795 145 A HN 0.671 8.859 8.150 0.065 0.000 0.460 146 R N -4.018 116.561 120.500 0.132 0.000 2.254 146 R HA 0.004 4.395 4.340 0.085 0.000 0.195 146 R C 0.450 176.809 176.300 0.099 0.000 0.957 146 R CA -0.185 55.970 56.100 0.092 0.000 1.024 146 R CB 0.929 31.261 30.300 0.053 0.000 0.952 146 R HN -0.420 8.093 8.270 0.094 -0.187 0.484 147 R N 1.414 121.981 120.500 0.112 0.000 2.590 147 R HA -0.111 4.263 4.340 0.057 0.000 0.274 147 R C -1.592 174.784 176.300 0.127 0.000 1.061 147 R CA 0.628 56.777 56.100 0.083 0.000 1.081 147 R CB 0.454 30.763 30.300 0.014 0.000 0.984 147 R HN -0.594 7.782 8.270 0.105 -0.043 0.448 148 V N 6.009 125.929 119.914 0.010 0.000 2.444 148 V HA 0.216 4.327 4.120 -0.014 0.000 0.294 148 V C -2.015 173.903 176.094 -0.293 0.000 1.022 148 V CA -3.470 58.765 62.300 -0.108 0.000 0.850 148 V CB 1.973 33.687 31.823 -0.182 0.000 0.992 148 V HN 0.203 8.386 8.190 -0.013 0.000 0.426 149 P HA -0.021 4.351 4.420 -0.081 0.000 0.267 149 P C -1.592 175.540 177.300 -0.281 0.000 1.205 149 P CA -0.285 62.733 63.100 -0.136 0.000 0.765 149 P CB 0.408 32.105 31.700 -0.005 0.000 0.828 150 H N 3.470 122.563 119.070 0.039 0.000 2.524 150 H HA 0.260 4.832 4.556 0.027 0.000 0.353 150 H C -0.161 175.179 175.328 0.021 0.000 1.136 150 H CA -1.571 54.493 56.048 0.027 0.000 1.193 150 H CB 3.528 33.303 29.762 0.023 0.000 1.558 150 H HN 0.244 8.865 8.280 0.029 -0.323 0.515 151 I N 2.338 123.001 120.570 0.156 0.000 2.752 151 I HA -0.550 3.803 4.170 0.065 -0.144 0.286 151 I C 1.242 177.400 176.117 0.068 0.000 1.180 151 I CA 2.162 63.513 61.300 0.084 0.000 1.404 151 I CB -0.728 37.310 38.000 0.063 0.000 1.389 151 I HN 0.647 8.961 8.210 0.174 0.000 0.549 152 G N 7.140 115.967 108.800 0.046 0.000 2.231 152 G HA2 -0.322 3.649 3.960 0.019 0.000 0.206 152 G HA3 -0.322 3.657 3.960 0.032 0.000 0.206 152 G C -0.454 174.466 174.900 0.033 0.000 0.996 152 G CA -0.643 44.476 45.100 0.032 0.000 0.645 152 G HN 0.302 8.614 8.290 0.037 0.000 0.498 153 D N 2.496 122.924 120.400 0.048 0.000 2.455 153 D HA -0.044 4.622 4.640 0.042 0.000 0.241 153 D C -0.119 176.177 176.300 -0.007 0.000 1.138 153 D CA 1.337 55.358 54.000 0.035 0.000 0.877 153 D CB 0.571 41.399 40.800 0.046 0.000 1.187 153 D HN -0.381 8.028 8.370 0.065 0.000 0.451 154 V N 1.694 121.591 119.914 -0.028 0.000 2.637 154 V HA 0.078 4.294 4.120 -0.104 -0.159 0.296 154 V C -0.117 175.892 176.094 -0.143 0.000 1.046 154 V CA 0.768 63.003 62.300 -0.108 0.000 1.066 154 V CB 0.410 32.142 31.823 -0.151 0.000 0.968 154 V HN 0.166 8.353 8.190 -0.006 0.000 0.483 155 V N -0.342 119.469 119.914 -0.172 0.000 2.925 155 V HA 0.867 5.070 4.120 -0.129 -0.160 0.311 155 V C -1.728 174.265 176.094 -0.169 0.000 1.104 155 V CA -2.950 59.267 62.300 -0.138 0.000 0.954 155 V CB 3.766 35.544 31.823 -0.074 0.000 1.022 155 V HN 0.198 8.179 8.190 -0.182 0.099 0.427 156 L N 1.670 122.812 121.223 -0.135 0.000 2.313 156 L HA 0.812 5.286 4.340 -0.118 -0.205 0.283 156 L C -0.860 175.975 176.870 -0.057 0.000 1.013 156 L CA -2.043 52.733 54.840 -0.106 0.000 0.816 156 L CB 2.340 44.344 42.059 -0.092 0.000 1.236 156 L HN 0.537 8.699 8.230 -0.113 0.000 0.419 157 A N 3.898 126.692 122.820 -0.044 0.000 2.331 157 A HA 0.719 5.179 4.320 -0.020 -0.152 0.283 157 A C -1.332 176.242 177.584 -0.017 0.000 1.142 157 A CA -1.607 50.416 52.037 -0.024 0.000 0.812 157 A CB 1.934 20.921 19.000 -0.021 0.000 1.074 157 A HN 0.540 8.661 8.150 -0.048 0.000 0.497 158 I N 1.977 122.540 120.570 -0.011 0.000 2.478 158 I HA 0.805 5.176 4.170 -0.005 -0.205 0.287 158 I C -0.794 175.317 176.117 -0.011 0.000 1.042 158 I CA -1.314 59.981 61.300 -0.008 0.000 1.067 158 I CB 2.630 40.627 38.000 -0.005 0.000 1.233 158 I HN 0.023 8.227 8.210 -0.010 0.000 0.431 159 G N 4.767 113.558 108.800 -0.014 0.000 2.490 159 G HA2 0.238 4.181 3.960 -0.029 0.000 0.308 159 G HA3 0.238 4.178 3.960 -0.033 0.000 0.308 159 G C -3.342 171.540 174.900 -0.031 0.000 1.286 159 G CA 0.602 45.686 45.100 -0.028 0.000 0.825 159 G HN -0.288 7.996 8.290 -0.009 0.000 0.479 160 N N 0.183 118.849 118.700 -0.056 0.000 2.918 160 N HA 0.659 5.384 4.740 -0.024 0.000 0.270 160 N C -2.345 173.124 175.510 -0.069 0.000 1.536 160 N CA -3.552 49.465 53.050 -0.055 0.000 0.877 160 N CB 1.534 39.964 38.487 -0.095 0.000 1.190 160 N HN -0.186 8.151 8.380 -0.072 0.000 0.492 161 P HA 0.137 4.587 4.420 -0.245 -0.177 0.276 161 P C -0.140 177.147 177.300 -0.022 0.000 1.243 161 P CA -0.168 62.851 63.100 -0.136 0.000 0.768 161 P CB 0.042 31.697 31.700 -0.075 0.000 0.856 162 Y N 0.443 120.750 120.300 0.011 0.000 4.236 162 Y HA -0.572 3.990 4.550 0.020 0.000 0.220 162 Y C -0.931 174.985 175.900 0.027 0.000 1.115 162 Y CA 1.015 59.126 58.100 0.018 0.000 1.811 162 Y CB -2.570 35.902 38.460 0.019 0.000 1.581 162 Y HN 0.320 8.333 8.280 -0.445 0.000 0.643 163 N N -3.418 115.348 118.700 0.111 0.000 2.741 163 N HA -0.344 4.593 4.740 0.070 -0.155 0.250 163 N C 0.479 176.059 175.510 0.116 0.000 1.115 163 N CA 1.092 54.206 53.050 0.106 0.000 0.724 163 N CB -0.661 37.911 38.487 0.143 0.000 1.090 163 N HN -0.460 7.889 8.380 0.047 0.059 0.558 164 L N -1.873 119.418 121.223 0.113 0.000 2.552 164 L HA -0.071 4.322 4.340 0.089 0.000 0.227 164 L C 0.870 177.784 176.870 0.074 0.000 1.146 164 L CA 0.931 55.828 54.840 0.094 0.000 0.858 164 L CB 0.086 42.205 42.059 0.100 0.000 0.969 164 L HN -0.654 7.620 8.230 0.122 0.029 0.451 165 G N -2.493 106.349 108.800 0.071 0.000 2.570 165 G HA2 -0.280 3.720 3.960 0.066 0.000 0.686 165 G HA3 -0.280 3.714 3.960 0.057 0.000 0.686 165 G C -2.241 172.684 174.900 0.042 0.000 1.257 165 G CA -1.006 44.130 45.100 0.059 0.000 0.846 165 G HN -0.740 7.748 8.290 0.072 -0.155 0.627 166 Q N 1.367 121.188 119.800 0.035 0.000 2.269 166 Q HA -0.137 4.431 4.340 0.014 -0.220 0.300 166 Q C -0.208 175.808 176.000 0.025 0.000 1.070 166 Q CA 1.473 57.290 55.803 0.023 0.000 0.957 166 Q CB 0.466 29.218 28.738 0.024 0.000 1.131 166 Q HN 0.214 8.508 8.270 0.039 0.000 0.377 167 T N 8.973 123.538 114.554 0.019 0.000 2.856 167 T HA 0.236 4.603 4.350 0.029 0.000 0.283 167 T C -1.910 172.800 174.700 0.016 0.000 1.008 167 T CA -0.823 61.291 62.100 0.024 0.000 0.997 167 T CB 1.903 70.789 68.868 0.030 0.000 0.992 167 T HN 0.476 8.723 8.240 0.012 0.000 0.454 168 I N 4.292 124.874 120.570 0.020 0.000 2.389 168 I HA 0.736 5.110 4.170 0.007 -0.200 0.288 168 I C -0.017 176.108 176.117 0.013 0.000 0.999 168 I CA -2.611 58.698 61.300 0.015 0.000 1.129 168 I CB 0.901 38.916 38.000 0.024 0.000 1.288 168 I HN 0.273 8.499 8.210 0.026 0.000 0.444 169 T N 5.607 120.160 114.554 -0.002 0.000 2.863 169 T HA 0.387 4.740 4.350 0.005 0.000 0.285 169 T C -1.194 173.485 174.700 -0.035 0.000 1.009 169 T CA -1.898 60.198 62.100 -0.006 0.000 0.989 169 T CB 2.521 71.385 68.868 -0.005 0.000 1.004 169 T HN 0.225 8.459 8.240 -0.009 0.000 0.455 170 Q N 5.529 125.306 119.800 -0.038 0.000 2.257 170 Q HA 0.728 5.149 4.340 -0.139 -0.164 0.262 170 Q C -0.650 175.304 176.000 -0.078 0.000 0.997 170 Q CA -1.130 54.616 55.803 -0.095 0.000 0.873 170 Q CB 3.161 31.842 28.738 -0.095 0.000 1.312 170 Q HN 0.286 8.547 8.270 -0.016 0.000 0.450 171 G N 2.013 110.747 108.800 -0.109 0.000 2.500 171 G HA2 0.658 4.583 3.960 -0.059 0.000 0.299 171 G HA3 0.658 4.727 3.960 -0.067 -0.149 0.299 171 G C -2.807 172.042 174.900 -0.085 0.000 1.242 171 G CA 0.630 45.684 45.100 -0.077 0.000 0.859 171 G HN 0.104 8.302 8.290 -0.154 0.000 0.481 172 I N -5.842 114.692 120.570 -0.060 0.000 3.095 172 I HA 0.900 5.205 4.170 -0.054 -0.167 0.310 172 I C -1.188 174.908 176.117 -0.035 0.000 1.196 172 I CA -2.366 58.907 61.300 -0.046 0.000 0.985 172 I CB 4.555 42.539 38.000 -0.027 0.000 1.250 172 I HN 0.536 9.028 8.210 -0.056 -0.316 0.446 173 I N 2.251 122.812 120.570 -0.015 0.000 2.483 173 I HA -0.066 4.205 4.170 -0.006 -0.104 0.291 173 I C 0.360 176.477 176.117 0.001 0.000 1.112 173 I CA 0.872 62.172 61.300 0.000 0.000 1.350 173 I CB -1.067 36.947 38.000 0.023 0.000 1.419 173 I HN 0.054 8.258 8.210 -0.009 0.000 0.523 174 S N 9.391 125.080 115.700 -0.018 0.000 2.414 174 S HA -0.128 4.331 4.470 -0.020 0.000 0.227 174 S C -0.341 174.260 174.600 0.001 0.000 1.022 174 S CA 1.685 59.871 58.200 -0.023 0.000 0.958 174 S CB 0.546 63.709 63.200 -0.063 0.000 0.797 174 S HN 0.560 8.754 8.310 -0.031 0.097 0.493 175 A N -3.194 119.640 122.820 0.023 0.000 2.566 175 A HA 0.274 4.619 4.320 0.042 0.000 0.290 175 A C -2.831 174.798 177.584 0.075 0.000 1.071 175 A CA -0.017 52.048 52.037 0.048 0.000 0.658 175 A CB 1.509 20.540 19.000 0.050 0.000 1.285 175 A HN -0.769 7.397 8.150 0.025 0.000 0.427 176 T N -3.913 110.686 114.554 0.074 0.000 2.906 176 T HA 0.342 4.749 4.350 0.095 0.000 0.295 176 T C 0.508 175.254 174.700 0.075 0.000 1.061 176 T CA -1.901 60.245 62.100 0.077 0.000 1.000 176 T CB 2.455 71.352 68.868 0.049 0.000 1.103 176 T HN -0.095 8.184 8.240 0.064 0.000 0.486 177 G N 1.352 110.198 108.800 0.075 0.000 2.225 177 G HA2 -0.421 3.720 3.960 0.046 0.000 0.264 177 G HA3 -0.421 3.565 3.960 0.043 0.000 0.264 177 G C -0.462 174.489 174.900 0.086 0.000 1.060 177 G CA 0.470 45.607 45.100 0.061 0.000 0.833 177 G HN 0.125 8.574 8.290 0.077 -0.113 0.498 178 R N -1.663 118.924 120.500 0.145 0.000 2.428 178 R HA 0.268 4.660 4.340 0.088 0.000 0.294 178 R C -0.270 176.104 176.300 0.125 0.000 1.000 178 R CA -1.204 54.975 56.100 0.132 0.000 0.960 178 R CB 1.480 31.902 30.300 0.204 0.000 1.076 178 R HN -0.790 7.592 8.270 0.187 0.000 0.475 179 I N 1.077 121.659 120.570 0.021 0.000 2.394 179 I HA -0.228 4.152 4.170 0.091 -0.155 0.251 179 I C -0.048 175.955 176.117 -0.191 0.000 1.136 179 I CA 0.905 62.206 61.300 0.002 0.000 1.425 179 I CB 0.711 38.696 38.000 -0.024 0.000 1.079 179 I HN 0.421 8.632 8.210 0.001 0.000 0.425 188 N N 0.410 119.052 118.700 -0.096 0.000 2.399 188 N HA 0.202 4.964 4.740 0.037 0.000 0.280 188 N C -1.995 173.384 175.510 -0.219 0.000 1.008 188 N CA -0.210 52.796 53.050 -0.074 0.000 0.894 188 N CB 0.896 39.326 38.487 -0.095 0.000 1.273 188 N HN -0.278 7.975 8.380 -0.211 0.000 0.486 189 F N 1.597 121.553 119.950 0.010 0.000 2.611 189 F HA 0.349 5.019 4.527 0.062 -0.106 0.324 189 F C -0.947 174.924 175.800 0.118 0.000 1.061 189 F CA -1.326 56.714 58.000 0.067 0.000 0.954 189 F CB 5.008 44.046 39.000 0.063 0.000 1.301 189 F HN -0.325 8.220 8.300 0.264 -0.086 0.482 190 L N 0.347 121.788 121.223 0.363 0.000 2.296 190 L HA 0.393 4.985 4.340 0.199 -0.132 0.286 190 L C -1.263 175.771 176.870 0.274 0.000 1.023 190 L CA -1.199 53.788 54.840 0.245 0.000 0.812 190 L CB 1.410 43.558 42.059 0.148 0.000 1.223 190 L HN 0.577 9.040 8.230 0.388 0.000 0.421 191 Q N 5.626 125.533 119.800 0.179 0.000 2.243 191 Q HA 0.655 5.084 4.340 -0.193 -0.206 0.252 191 Q C -0.797 175.147 176.000 -0.093 0.000 0.909 191 Q CA -0.994 54.786 55.803 -0.039 0.000 0.922 191 Q CB 2.451 31.171 28.738 -0.030 0.000 1.215 191 Q HN -0.017 8.352 8.270 0.165 0.000 0.427 192 T N 4.288 118.728 114.554 -0.190 0.000 2.868 192 T HA 0.683 5.137 4.350 -0.090 -0.157 0.306 192 T C -1.704 172.906 174.700 -0.150 0.000 1.224 192 T CA -2.754 59.273 62.100 -0.122 0.000 1.012 192 T CB 1.544 70.369 68.868 -0.072 0.000 1.221 192 T HN 0.345 8.397 8.240 -0.314 0.000 0.499 193 D N 4.135 124.474 120.400 -0.102 0.000 2.462 193 D HA 0.235 4.857 4.640 -0.107 -0.046 0.221 193 D C -0.030 176.232 176.300 -0.064 0.000 1.173 193 D CA -1.922 52.025 54.000 -0.089 0.000 0.831 193 D CB -0.119 40.638 40.800 -0.072 0.000 1.001 193 D HN -0.092 8.228 8.370 -0.083 0.000 0.499 194 A N 1.304 124.085 122.820 -0.064 0.000 2.491 194 A HA -0.112 4.352 4.320 -0.046 -0.171 0.261 194 A C -0.527 177.032 177.584 -0.042 0.000 1.101 194 A CA 0.729 52.735 52.037 -0.051 0.000 0.772 194 A CB 0.436 19.404 19.000 -0.054 0.000 1.043 194 A HN -0.572 7.489 8.150 -0.070 0.047 0.501 195 S N 2.295 117.979 115.700 -0.025 0.000 2.596 195 S HA -0.146 4.314 4.470 -0.016 0.000 0.298 195 S C -0.782 173.809 174.600 -0.014 0.000 1.255 195 S CA 1.010 59.202 58.200 -0.013 0.000 1.083 195 S CB -0.054 63.151 63.200 0.007 0.000 0.837 195 S HN 0.189 8.487 8.310 -0.021 0.000 0.499 196 I N 6.151 126.711 120.570 -0.018 0.000 2.406 196 I HA 0.065 4.220 4.170 -0.025 0.000 0.290 196 I C -1.649 174.450 176.117 -0.030 0.000 0.999 196 I CA -1.838 59.449 61.300 -0.022 0.000 1.124 196 I CB 0.693 38.683 38.000 -0.017 0.000 1.289 196 I HN 0.250 8.449 8.210 -0.019 0.000 0.441 197 N N 7.251 125.905 118.700 -0.076 0.000 2.545 197 N HA 0.507 5.185 4.740 -0.104 0.000 0.289 197 N C -2.835 172.522 175.510 -0.256 0.000 1.279 197 N CA -2.534 50.415 53.050 -0.168 0.000 0.824 197 N CB 1.878 40.217 38.487 -0.248 0.000 1.395 197 N HN -0.074 8.540 8.380 -0.083 -0.284 0.526 198 P HA -0.055 4.272 4.420 -0.156 0.000 0.263 198 P C -0.410 176.680 177.300 -0.351 0.000 1.195 198 P CA 1.222 64.141 63.100 -0.301 0.000 0.762 198 P CB 0.005 31.538 31.700 -0.279 0.000 0.799 199 G N 2.757 111.451 108.800 -0.177 0.000 2.201 199 G HA2 -0.436 3.447 3.960 -0.128 0.000 0.212 199 G HA3 -0.436 3.554 3.960 -0.183 -0.140 0.212 199 G C 0.553 175.381 174.900 -0.120 0.000 0.994 199 G CA 0.912 45.919 45.100 -0.154 0.000 0.644 199 G HN 0.580 8.805 8.290 -0.109 0.000 0.508 200 N N -0.189 118.452 118.700 -0.099 0.000 2.392 200 N HA 0.019 4.723 4.740 -0.060 0.000 0.177 200 N C 0.044 175.541 175.510 -0.022 0.000 1.066 200 N CA 0.936 53.952 53.050 -0.057 0.000 0.895 200 N CB 1.319 39.777 38.487 -0.047 0.000 0.988 200 N HN -0.174 8.086 8.380 -0.109 0.055 0.457 201 S N -1.134 114.565 115.700 -0.002 0.000 2.549 201 S HA -0.203 4.512 4.470 0.073 -0.202 0.286 201 S C 0.768 175.353 174.600 -0.024 0.000 1.314 201 S CA 2.601 60.823 58.200 0.036 0.000 1.062 201 S CB 0.161 63.428 63.200 0.112 0.000 0.865 201 S HN -0.473 7.834 8.310 -0.005 0.000 0.498 202 G N 4.424 113.224 108.800 -0.000 0.000 2.217 202 G HA2 -0.441 3.514 3.960 -0.008 0.000 0.246 202 G HA3 -0.441 3.670 3.960 -0.052 -0.182 0.246 202 G C -0.138 174.756 174.900 -0.010 0.000 0.990 202 G CA 0.078 45.165 45.100 -0.021 0.000 0.627 202 G HN 0.650 9.028 8.290 0.038 -0.065 0.522 203 G N 0.655 109.451 108.800 -0.007 0.000 2.588 203 G HA2 0.255 4.208 3.960 -0.012 0.000 0.278 203 G HA3 0.255 4.345 3.960 -0.011 -0.136 0.278 203 G C -2.272 172.633 174.900 0.010 0.000 1.307 203 G CA -1.106 43.991 45.100 -0.006 0.000 1.016 203 G HN -0.391 7.819 8.290 -0.006 0.076 0.503 204 A N -2.396 120.427 122.820 0.004 0.000 2.312 204 A HA 0.478 4.808 4.320 0.017 0.000 0.328 204 A C -2.253 175.334 177.584 0.005 0.000 1.158 204 A CA -1.578 50.463 52.037 0.007 0.000 0.821 204 A CB 2.925 21.923 19.000 -0.004 0.000 1.170 204 A HN -0.252 7.897 8.150 -0.001 0.000 0.490 205 L N 3.672 124.901 121.223 0.011 0.000 2.316 205 L HA 0.766 5.280 4.340 -0.009 -0.179 0.280 205 L C -1.787 175.074 176.870 -0.015 0.000 1.006 205 L CA -1.066 53.775 54.840 0.002 0.000 0.836 205 L CB 2.867 44.941 42.059 0.025 0.000 1.221 205 L HN 0.272 8.515 8.230 0.022 0.000 0.418 206 V N 1.940 121.833 119.914 -0.036 0.000 2.919 206 V HA 1.027 5.258 4.120 -0.065 -0.150 0.316 206 V C -1.481 174.576 176.094 -0.061 0.000 1.077 206 V CA -3.808 58.459 62.300 -0.055 0.000 0.977 206 V CB 3.716 35.507 31.823 -0.053 0.000 1.039 206 V HN 0.378 8.544 8.190 -0.039 0.000 0.441 207 N N 1.110 119.773 118.700 -0.062 0.000 2.431 207 N HA 0.434 5.296 4.740 -0.069 -0.164 0.289 207 N C 1.827 177.310 175.510 -0.045 0.000 1.277 207 N CA -1.593 51.423 53.050 -0.056 0.000 0.972 207 N CB 0.831 39.297 38.487 -0.035 0.000 1.143 207 N HN -0.100 8.238 8.380 -0.070 0.000 0.578 208 S N -0.934 114.755 115.700 -0.019 0.000 2.603 208 S HA -0.145 4.354 4.470 0.048 0.000 0.229 208 S C 0.493 175.137 174.600 0.074 0.000 0.972 208 S CA 2.024 60.260 58.200 0.060 0.000 0.935 208 S CB -0.796 62.500 63.200 0.161 0.000 0.769 208 S HN 0.387 8.689 8.310 -0.014 0.000 0.536 209 L N -2.275 118.964 121.223 0.026 0.000 2.640 209 L HA 0.219 4.577 4.340 0.029 0.000 0.230 209 L C 0.315 177.182 176.870 -0.004 0.000 1.123 209 L CA -0.230 54.619 54.840 0.015 0.000 0.900 209 L CB 0.272 42.331 42.059 0.000 0.000 1.146 209 L HN -0.561 7.877 8.230 0.006 -0.204 0.484 210 G N -2.070 106.722 108.800 -0.013 0.000 2.176 210 G HA2 -0.469 3.478 3.960 -0.022 0.000 0.253 210 G HA3 -0.469 3.481 3.960 -0.017 0.000 0.253 210 G C -0.382 174.483 174.900 -0.059 0.000 0.979 210 G CA 0.085 45.169 45.100 -0.026 0.000 0.641 210 G HN -0.212 7.917 8.290 -0.012 0.154 0.530 211 E N -0.386 119.764 120.200 -0.082 0.000 2.354 211 E HA -0.148 4.272 4.350 -0.148 -0.159 0.269 211 E C -0.793 175.694 176.600 -0.188 0.000 1.036 211 E CA -0.519 55.793 56.400 -0.147 0.000 0.876 211 E CB 0.978 30.579 29.700 -0.165 0.000 1.009 211 E HN -0.720 7.738 8.360 -0.069 -0.139 0.416 212 L N 3.540 124.601 121.223 -0.270 0.000 2.410 212 L HA -0.156 4.098 4.340 -0.144 0.000 0.273 212 L C -0.815 175.846 176.870 -0.348 0.000 1.144 212 L CA 1.014 55.704 54.840 -0.251 0.000 0.863 212 L CB 0.417 42.346 42.059 -0.216 0.000 1.140 212 L HN -0.101 7.950 8.230 -0.299 0.000 0.463 213 M N 4.608 124.155 119.600 -0.088 0.000 2.657 213 M HA 0.290 4.850 4.480 0.133 0.000 0.262 213 M C -0.230 176.218 176.300 0.247 0.000 1.213 213 M CA 0.023 55.377 55.300 0.090 0.000 1.182 213 M CB 1.653 34.283 32.600 0.050 0.000 1.303 213 M HN 0.859 9.012 8.290 -0.051 0.106 0.501 214 G N -4.396 104.491 108.800 0.145 0.000 2.349 214 G HA2 0.212 4.387 3.960 0.176 0.000 0.294 214 G HA3 0.212 4.292 3.960 0.127 -0.044 0.294 214 G C -3.033 171.922 174.900 0.092 0.000 1.380 214 G CA 0.503 45.687 45.100 0.140 0.000 0.811 214 G HN -0.511 7.830 8.290 0.085 0.000 0.519 215 I N -1.103 119.519 120.570 0.086 0.000 2.354 215 I HA 0.545 4.912 4.170 0.062 -0.160 0.286 215 I C -0.487 175.694 176.117 0.108 0.000 1.007 215 I CA -3.773 57.572 61.300 0.075 0.000 1.167 215 I CB -0.056 37.980 38.000 0.058 0.000 1.320 215 I HN 0.011 8.270 8.210 0.082 0.000 0.458 216 N N 9.319 128.075 118.700 0.094 0.000 2.414 216 N HA -0.129 4.856 4.740 0.147 -0.157 0.268 216 N C 0.350 175.950 175.510 0.150 0.000 1.286 216 N CA 1.224 54.345 53.050 0.117 0.000 0.896 216 N CB -0.545 37.981 38.487 0.066 0.000 1.093 216 N HN 0.022 8.444 8.380 0.069 0.000 0.480 217 T N 4.689 119.381 114.554 0.230 0.000 2.990 217 T HA 0.153 4.878 4.350 0.249 -0.226 0.237 217 T C -0.239 174.593 174.700 0.219 0.000 1.009 217 T CA 1.993 64.253 62.100 0.266 0.000 1.195 217 T CB 1.548 70.650 68.868 0.389 0.000 0.885 217 T HN 0.109 8.514 8.240 0.276 0.000 0.424 218 L N -3.940 117.397 121.223 0.189 0.000 2.838 218 L HA 0.256 4.655 4.340 0.098 0.000 0.266 218 L C -2.099 174.868 176.870 0.161 0.000 1.040 218 L CA -1.497 53.417 54.840 0.123 0.000 0.906 218 L CB 3.279 45.361 42.059 0.039 0.000 1.501 218 L HN -0.881 7.489 8.230 0.233 0.000 0.407 219 S N -1.392 114.371 115.700 0.105 0.000 2.713 219 S HA 0.215 4.741 4.470 0.093 0.000 0.277 219 S C -0.889 173.843 174.600 0.220 0.000 1.168 219 S CA -0.240 58.031 58.200 0.117 0.000 0.994 219 S CB 1.186 64.418 63.200 0.053 0.000 1.054 219 S HN 0.019 8.367 8.310 0.063 0.000 0.555 230 E N 1.541 121.768 120.200 0.044 0.000 2.234 230 E HA 0.159 4.523 4.350 0.024 0.000 0.266 230 E C -0.045 176.547 176.600 -0.012 0.000 0.877 230 E CA 0.272 56.683 56.400 0.018 0.000 0.758 230 E CB 1.230 30.938 29.700 0.013 0.000 1.170 230 E HN 0.205 8.587 8.360 0.037 0.000 0.415 231 G N 3.614 112.400 108.800 -0.023 0.000 2.246 231 G HA2 -0.346 3.583 3.960 -0.052 0.000 0.273 231 G HA3 -0.346 3.583 3.960 -0.051 0.000 0.273 231 G C -1.468 173.367 174.900 -0.109 0.000 1.055 231 G CA 0.393 45.460 45.100 -0.055 0.000 0.851 231 G HN 0.658 8.941 8.290 -0.011 0.000 0.500 232 I N -0.371 120.126 120.570 -0.123 0.000 2.466 232 I HA 0.137 4.108 4.170 -0.331 0.000 0.279 232 I C -1.866 174.048 176.117 -0.338 0.000 1.033 232 I CA -0.689 60.455 61.300 -0.260 0.000 1.123 232 I CB 0.914 38.781 38.000 -0.222 0.000 1.237 232 I HN -0.555 7.612 8.210 -0.071 0.000 0.460 233 G N 4.602 113.090 108.800 -0.520 0.000 2.680 233 G HA2 0.852 4.606 3.960 -0.343 0.000 0.290 233 G HA3 0.852 4.674 3.960 -0.230 0.000 0.290 233 G C -2.759 171.700 174.900 -0.734 0.000 1.355 233 G CA -1.228 43.596 45.100 -0.460 0.000 0.903 233 G HN 0.143 8.130 8.290 -0.505 0.000 0.474 234 F N -2.865 117.109 119.950 0.040 0.000 2.599 234 F HA 0.972 5.791 4.527 0.106 -0.229 0.311 234 F C -1.732 174.191 175.800 0.204 0.000 1.076 234 F CA -1.964 56.092 58.000 0.093 0.000 0.937 234 F CB 5.241 44.196 39.000 -0.076 0.000 1.282 234 F HN -0.139 8.223 8.300 0.104 0.000 0.460 235 A N -0.676 122.441 122.820 0.496 0.000 2.486 235 A HA 0.629 5.308 4.320 0.327 -0.163 0.300 235 A C -1.836 175.906 177.584 0.263 0.000 1.048 235 A CA -1.646 50.592 52.037 0.334 0.000 0.696 235 A CB 3.798 22.906 19.000 0.181 0.000 1.278 235 A HN 0.481 8.961 8.150 0.549 0.000 0.405 236 I N 2.672 123.298 120.570 0.094 0.000 2.533 236 I HA 0.290 4.257 4.170 -0.339 0.000 0.284 236 I C -1.271 174.817 176.117 -0.048 0.000 1.109 236 I CA -3.622 57.596 61.300 -0.136 0.000 1.412 236 I CB -0.695 37.218 38.000 -0.147 0.000 1.396 236 I HN -0.076 8.210 8.210 0.128 0.000 0.543 237 P HA 0.002 4.556 4.420 0.019 -0.123 0.267 237 P C 0.942 178.205 177.300 -0.062 0.000 1.201 237 P CA 0.211 63.273 63.100 -0.062 0.000 0.775 237 P CB 0.249 31.857 31.700 -0.153 0.000 0.854 238 F N 2.049 121.972 119.950 -0.044 0.000 2.325 238 F HA -0.268 4.236 4.527 -0.038 0.000 0.299 238 F C 1.190 176.963 175.800 -0.045 0.000 1.090 238 F CA 3.314 61.290 58.000 -0.040 0.000 1.392 238 F CB -0.454 38.527 39.000 -0.031 0.000 1.053 238 F HN -0.220 8.206 8.300 0.211 0.000 0.521 239 Q N -0.081 119.157 119.800 -0.936 0.000 2.119 239 Q HA -0.300 3.711 4.340 -0.547 0.000 0.201 239 Q C 2.097 177.922 176.000 -0.291 0.000 0.972 239 Q CA 3.358 58.770 55.803 -0.652 0.000 0.847 239 Q CB -1.022 27.299 28.738 -0.696 0.000 0.903 239 Q HN 0.202 7.748 8.270 -1.173 0.021 0.433 240 L N -1.189 119.883 121.223 -0.251 0.000 2.109 240 L HA -0.173 4.075 4.340 -0.154 0.000 0.207 240 L C 1.054 177.853 176.870 -0.118 0.000 1.086 240 L CA 2.071 56.810 54.840 -0.168 0.000 0.760 240 L CB -0.615 41.337 42.059 -0.178 0.000 0.910 240 L HN -0.699 7.360 8.230 -0.285 0.000 0.437 241 A N -1.062 121.703 122.820 -0.092 0.000 1.858 241 A HA -0.367 3.922 4.320 -0.051 0.000 0.216 241 A C 1.931 179.498 177.584 -0.028 0.000 1.190 241 A CA 3.367 55.379 52.037 -0.042 0.000 0.617 241 A CB -0.874 18.130 19.000 0.006 0.000 0.827 241 A HN -0.392 7.697 8.150 -0.101 0.000 0.443 242 T N 0.509 115.056 114.554 -0.010 0.000 2.720 242 T HA -0.486 3.866 4.350 0.003 0.000 0.268 242 T C 1.790 176.467 174.700 -0.038 0.000 1.037 242 T CA 5.258 67.356 62.100 -0.004 0.000 1.144 242 T CB -0.135 68.754 68.868 0.034 0.000 0.864 242 T HN -0.422 7.817 8.240 -0.002 0.000 0.444 243 K N 1.103 121.469 120.400 -0.056 0.000 2.026 243 K HA -0.217 4.069 4.320 -0.056 0.000 0.208 243 K C 2.137 178.702 176.600 -0.058 0.000 1.048 243 K CA 2.805 59.056 56.287 -0.061 0.000 0.929 243 K CB -0.841 31.616 32.500 -0.072 0.000 0.713 243 K HN -0.780 7.429 8.250 -0.068 0.000 0.439 244 I N -0.310 120.225 120.570 -0.058 0.000 2.286 244 I HA -0.400 3.740 4.170 -0.050 0.000 0.248 244 I C 2.085 178.173 176.117 -0.049 0.000 1.115 244 I CA 2.850 64.120 61.300 -0.051 0.000 1.392 244 I CB -0.878 37.093 38.000 -0.049 0.000 1.065 244 I HN -0.500 7.673 8.210 -0.062 0.000 0.418 245 M N 0.663 120.233 119.600 -0.051 0.000 2.132 245 M HA -0.458 3.991 4.480 -0.053 0.000 0.263 245 M C 1.497 177.736 176.300 -0.102 0.000 1.065 245 M CA 4.398 59.660 55.300 -0.063 0.000 1.122 245 M CB -0.185 32.382 32.600 -0.055 0.000 1.365 245 M HN -0.079 8.084 8.290 -0.046 0.099 0.411 246 D N -0.147 120.196 120.400 -0.095 0.000 2.144 246 D HA -0.280 4.270 4.640 -0.149 0.000 0.199 246 D C 2.533 178.777 176.300 -0.093 0.000 0.984 246 D CA 3.453 57.388 54.000 -0.110 0.000 0.834 246 D CB -0.654 40.097 40.800 -0.082 0.000 0.955 246 D HN -0.250 8.074 8.370 -0.077 0.000 0.465 247 K N -0.577 119.782 120.400 -0.069 0.000 2.097 247 K HA -0.227 4.062 4.320 -0.052 0.000 0.205 247 K C 2.315 178.884 176.600 -0.051 0.000 1.050 247 K CA 3.334 59.589 56.287 -0.054 0.000 0.938 247 K CB 0.043 32.516 32.500 -0.044 0.000 0.718 247 K HN -0.569 7.643 8.250 -0.065 0.000 0.442 248 L N -1.519 119.672 121.223 -0.053 0.000 2.156 248 L HA -0.303 4.021 4.340 -0.027 0.000 0.208 248 L C 1.946 178.788 176.870 -0.047 0.000 1.095 248 L CA 2.638 57.455 54.840 -0.039 0.000 0.770 248 L CB -0.211 41.832 42.059 -0.027 0.000 0.914 248 L HN -0.718 7.478 8.230 -0.058 0.000 0.439 249 I N -2.757 117.753 120.570 -0.100 0.000 2.286 249 I HA -0.445 3.674 4.170 -0.085 0.000 0.245 249 I C 1.464 177.535 176.117 -0.077 0.000 1.104 249 I CA 2.853 64.070 61.300 -0.137 0.000 1.397 249 I CB -0.252 37.538 38.000 -0.350 0.000 1.072 249 I HN -0.557 7.578 8.210 -0.125 0.000 0.417 250 R N -1.321 119.133 120.500 -0.076 0.000 2.062 250 R HA -0.201 4.111 4.340 -0.045 0.000 0.229 250 R C 0.896 177.180 176.300 -0.026 0.000 1.128 250 R CA 2.411 58.482 56.100 -0.048 0.000 0.960 250 R CB 0.824 31.094 30.300 -0.051 0.000 0.855 250 R HN -0.704 7.513 8.270 -0.087 0.000 0.432 251 D N -5.214 115.172 120.400 -0.024 0.000 2.441 251 D HA 0.138 4.772 4.640 -0.010 0.000 0.210 251 D C 0.572 176.869 176.300 -0.006 0.000 1.102 251 D CA 0.051 54.043 54.000 -0.013 0.000 0.840 251 D CB 1.035 41.826 40.800 -0.015 0.000 0.990 251 D HN -0.558 7.793 8.370 -0.030 0.000 0.505 252 G N -0.680 108.116 108.800 -0.006 0.000 2.184 252 G HA2 -0.489 3.621 3.960 0.009 0.000 0.264 252 G HA3 -0.489 3.476 3.960 0.009 0.000 0.264 252 G C -1.696 173.204 174.900 0.000 0.000 0.975 252 G CA 0.523 45.625 45.100 0.004 0.000 0.642 252 G HN 0.006 8.203 8.290 -0.013 0.085 0.536 253 R N -3.228 117.268 120.500 -0.007 0.000 2.728 253 R HA 0.355 4.692 4.340 -0.006 0.000 0.274 253 R C -2.582 173.710 176.300 -0.013 0.000 1.030 253 R CA -1.062 55.034 56.100 -0.007 0.000 0.876 253 R CB 2.387 32.685 30.300 -0.003 0.000 1.259 253 R HN -0.865 7.320 8.270 -0.011 0.078 0.468 254 V N 1.159 121.065 119.914 -0.013 0.000 2.465 254 V HA 0.098 4.205 4.120 -0.021 0.000 0.279 254 V C -0.758 175.328 176.094 -0.014 0.000 1.045 254 V CA -0.139 62.151 62.300 -0.017 0.000 0.938 254 V CB 0.681 32.493 31.823 -0.018 0.000 0.986 254 V HN 0.247 8.431 8.190 -0.010 0.000 0.467 255 I N 0.000 120.560 120.570 -0.016 0.000 2.984 255 I HA 0.000 4.163 4.170 -0.012 0.000 0.288 255 I CA 0.000 61.292 61.300 -0.014 0.000 1.566 255 I CB 0.000 37.992 38.000 -0.013 0.000 1.214 255 I HN 0.000 8.199 8.210 -0.019 0.000 0.494