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_I DATA FIRST_RESID 38 DATA SEQUENCE DSTDETPASY NLAVRRAAPA VVNVYNRXXX XXXXXXLEIR TLGSGVIMDQ DATA SEQUENCE RGYIITNKHV INDADQIIVA LQDGRVFEAL LVGSDSLTDL AVLKINATGG DATA SEQUENCE LPTIPINARR VPHIGDVVLA IGNPYNLGQT ITQGIISATG RIXXXXXXXX DATA SEQUENCE NFLQTDASIN PGNSGGALVN SLGELMGINT LSFDXXXXGE TPEGIGFAIP DATA SEQUENCE FQLATKIMDK LIRD 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 38 D HA 0.000 4.637 4.640 -0.004 0.000 0.175 38 D C 0.000 176.297 176.300 -0.005 0.000 2.045 38 D CA 0.000 53.997 54.000 -0.004 0.000 0.868 38 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 39 S N 0.231 115.927 115.700 -0.006 0.000 2.603 39 S HA 0.017 4.483 4.470 -0.008 0.000 0.229 39 S C 0.771 175.366 174.600 -0.008 0.000 0.972 39 S CA 1.493 59.689 58.200 -0.007 0.000 0.935 39 S CB -0.166 63.029 63.200 -0.008 0.000 0.769 39 S HN 0.098 8.404 8.310 -0.005 0.000 0.536 40 T N -3.121 111.429 114.554 -0.006 0.000 2.803 40 T HA -0.235 4.111 4.350 -0.006 0.000 0.269 40 T C 0.998 175.694 174.700 -0.007 0.000 1.052 40 T CA 1.923 64.019 62.100 -0.006 0.000 1.136 40 T CB 0.014 68.879 68.868 -0.005 0.000 0.864 40 T HN -0.499 7.665 8.240 -0.006 0.073 0.467 41 D N 0.326 120.722 120.400 -0.007 0.000 2.149 41 D HA 0.122 4.757 4.640 -0.007 0.000 0.206 41 D C 0.290 176.584 176.300 -0.010 0.000 0.967 41 D CA 1.152 55.147 54.000 -0.008 0.000 0.848 41 D CB 0.547 41.342 40.800 -0.007 0.000 0.998 41 D HN -0.404 7.941 8.370 -0.007 0.021 0.474 42 E N -0.686 119.508 120.200 -0.011 0.000 2.461 42 E HA -0.143 4.199 4.350 -0.014 0.000 0.263 42 E C -0.761 175.829 176.600 -0.017 0.000 1.143 42 E CA 0.857 57.249 56.400 -0.014 0.000 0.994 42 E CB 0.684 30.376 29.700 -0.013 0.000 0.973 42 E HN 0.146 8.500 8.360 -0.010 0.000 0.457 43 T N 3.191 117.733 114.554 -0.021 0.000 2.807 43 T HA 0.245 4.580 4.350 -0.025 0.000 0.279 43 T C -2.095 172.584 174.700 -0.036 0.000 0.993 43 T CA -2.100 59.984 62.100 -0.027 0.000 0.970 43 T CB 0.456 69.307 68.868 -0.028 0.000 0.950 43 T HN -0.021 8.206 8.240 -0.022 0.000 0.441 44 P HA 0.091 4.484 4.420 -0.045 0.000 0.276 44 P C -0.736 176.517 177.300 -0.080 0.000 1.235 44 P CA -0.631 62.439 63.100 -0.050 0.000 0.772 44 P CB 0.307 31.983 31.700 -0.041 0.000 0.871 45 A N 3.158 125.920 122.820 -0.097 0.000 2.546 45 A HA -0.036 4.181 4.320 -0.171 0.000 0.243 45 A C -0.393 177.054 177.584 -0.229 0.000 1.063 45 A CA 0.645 52.583 52.037 -0.166 0.000 0.757 45 A CB 0.294 19.200 19.000 -0.155 0.000 0.991 45 A HN 0.075 8.178 8.150 -0.080 0.000 0.503 46 S N 1.763 117.252 115.700 -0.351 0.000 2.547 46 S HA 0.093 4.379 4.470 -0.308 0.000 0.270 46 S C -1.180 173.130 174.600 -0.482 0.000 1.150 46 S CA -0.146 57.854 58.200 -0.333 0.000 0.850 46 S CB 0.852 63.970 63.200 -0.137 0.000 1.118 46 S HN -0.121 7.959 8.310 -0.384 0.000 0.461 47 Y N 1.716 122.018 120.300 0.003 0.000 2.720 47 Y HA 0.221 4.773 4.550 0.002 0.000 0.268 47 Y C -0.100 175.802 175.900 0.003 0.000 1.142 47 Y CA -0.712 57.389 58.100 0.003 0.000 1.193 47 Y CB -0.079 38.384 38.460 0.004 0.000 1.176 47 Y HN 0.193 8.461 8.280 -0.021 0.000 0.542 48 N N 1.686 120.431 118.700 0.075 0.000 2.244 48 N HA -0.328 4.450 4.740 0.063 0.000 0.183 48 N C 1.059 176.598 175.510 0.049 0.000 1.016 48 N CA 3.163 56.245 53.050 0.053 0.000 0.866 48 N CB 0.352 38.850 38.487 0.020 0.000 0.980 48 N HN -0.398 7.926 8.380 0.020 0.068 0.430 49 L N -0.255 120.996 121.223 0.047 0.000 2.046 49 L HA -0.266 4.090 4.340 0.028 0.000 0.208 49 L C 0.928 177.826 176.870 0.047 0.000 1.077 49 L CA 2.957 57.821 54.840 0.040 0.000 0.747 49 L CB -0.516 41.564 42.059 0.035 0.000 0.896 49 L HN -0.201 8.039 8.230 0.044 0.016 0.432 50 A N -2.076 120.788 122.820 0.074 0.000 1.877 50 A HA -0.400 3.944 4.320 0.040 0.000 0.216 50 A C 2.076 179.685 177.584 0.041 0.000 1.186 50 A CA 3.038 55.109 52.037 0.057 0.000 0.620 50 A CB -1.036 18.006 19.000 0.071 0.000 0.822 50 A HN -0.039 8.174 8.150 0.105 0.000 0.443 51 V N -1.565 118.381 119.914 0.053 0.000 2.332 51 V HA -0.632 3.508 4.120 0.033 0.000 0.248 51 V C 2.451 178.562 176.094 0.028 0.000 1.055 51 V CA 4.259 66.582 62.300 0.040 0.000 1.038 51 V CB -0.391 31.461 31.823 0.048 0.000 0.651 51 V HN -0.621 7.612 8.190 0.073 0.000 0.450 52 R N -1.831 118.685 120.500 0.028 0.000 2.115 52 R HA -0.241 4.112 4.340 0.021 0.000 0.230 52 R C 1.833 178.143 176.300 0.016 0.000 1.111 52 R CA 3.116 59.229 56.100 0.021 0.000 0.976 52 R CB -0.347 29.965 30.300 0.019 0.000 0.870 52 R HN -0.319 7.970 8.270 0.032 0.000 0.445 53 R N -3.033 117.476 120.500 0.015 0.000 2.075 53 R HA -0.131 4.213 4.340 0.007 0.000 0.226 53 R C 0.988 177.291 176.300 0.004 0.000 1.114 53 R CA 2.626 58.731 56.100 0.008 0.000 0.972 53 R CB 0.409 30.712 30.300 0.004 0.000 0.869 53 R HN -0.636 7.532 8.270 0.018 0.112 0.437 54 A N -3.545 119.277 122.820 0.005 0.000 2.055 54 A HA 0.195 4.513 4.320 -0.004 0.000 0.205 54 A C 1.437 179.025 177.584 0.007 0.000 1.235 54 A CA 0.930 52.967 52.037 -0.000 0.000 0.822 54 A CB 0.471 19.467 19.000 -0.008 0.000 0.903 54 A HN -0.502 7.653 8.150 0.009 0.000 0.473 55 A N 0.336 123.164 122.820 0.012 0.000 1.903 55 A HA -0.207 4.121 4.320 0.014 0.000 0.219 55 A C -1.036 176.560 177.584 0.019 0.000 1.191 55 A CA 4.334 56.381 52.037 0.016 0.000 0.638 55 A CB -2.416 16.596 19.000 0.020 0.000 0.823 55 A HN -0.036 8.122 8.150 0.014 0.000 0.451 56 P HA -0.217 4.221 4.420 0.030 0.000 0.222 56 P C -0.026 177.292 177.300 0.029 0.000 1.147 56 P CA 1.931 65.047 63.100 0.026 0.000 0.790 56 P CB -0.374 31.341 31.700 0.025 0.000 0.780 57 A N -4.940 117.893 122.820 0.021 0.000 2.016 57 A HA -0.002 4.332 4.320 0.023 0.000 0.217 57 A C -0.299 177.299 177.584 0.023 0.000 1.162 57 A CA 0.543 52.592 52.037 0.020 0.000 0.662 57 A CB 0.508 19.514 19.000 0.011 0.000 0.812 57 A HN -0.652 7.477 8.150 0.016 0.031 0.450 58 V N -1.401 118.524 119.914 0.019 0.000 2.775 58 V HA 0.364 4.696 4.120 0.015 -0.203 0.299 58 V C -0.354 175.752 176.094 0.021 0.000 1.062 58 V CA 0.626 62.936 62.300 0.016 0.000 1.063 58 V CB 0.801 32.630 31.823 0.009 0.000 0.994 58 V HN -0.827 7.373 8.190 0.017 0.000 0.483 59 V N -3.869 116.053 119.914 0.013 0.000 3.114 59 V HA 0.565 4.774 4.120 0.031 -0.070 0.308 59 V C -1.881 174.195 176.094 -0.030 0.000 1.168 59 V CA -3.516 58.794 62.300 0.018 0.000 1.015 59 V CB 3.676 35.526 31.823 0.046 0.000 1.050 59 V HN 0.245 8.438 8.190 0.004 0.000 0.433 60 N N 2.323 120.998 118.700 -0.043 0.000 2.408 60 N HA 0.187 4.899 4.740 -0.242 -0.118 0.257 60 N C -0.407 174.899 175.510 -0.339 0.000 1.064 60 N CA -1.022 51.900 53.050 -0.212 0.000 0.952 60 N CB 0.096 38.496 38.487 -0.145 0.000 1.093 60 N HN -0.151 8.236 8.380 0.011 0.000 0.490 61 V N 4.356 124.028 119.914 -0.404 0.000 2.439 61 V HA 0.286 4.476 4.120 -0.148 -0.159 0.282 61 V C -1.198 174.599 176.094 -0.496 0.000 1.039 61 V CA -0.401 61.724 62.300 -0.291 0.000 0.913 61 V CB 1.308 33.057 31.823 -0.124 0.000 0.983 61 V HN -0.017 7.856 8.190 -0.357 0.102 0.460 62 Y N 4.852 125.171 120.300 0.032 0.000 2.536 62 Y HA 0.266 4.830 4.550 0.024 0.000 0.347 62 Y C -1.277 174.639 175.900 0.027 0.000 1.000 62 Y CA -1.493 56.623 58.100 0.027 0.000 1.051 62 Y CB 3.983 42.457 38.460 0.024 0.000 1.259 62 Y HN 0.515 8.859 8.280 0.107 0.000 0.468 63 N N 2.102 120.913 118.700 0.186 0.000 2.569 63 N HA 0.410 5.211 4.740 0.102 0.000 0.254 63 N C -1.507 174.061 175.510 0.098 0.000 1.004 63 N CA -1.148 51.970 53.050 0.112 0.000 0.904 63 N CB 1.499 40.032 38.487 0.077 0.000 1.165 63 N HN 0.102 8.604 8.380 0.204 0.000 0.513 75 E N 0.358 120.556 120.200 -0.002 0.000 2.451 75 E HA 0.098 4.446 4.350 -0.002 0.000 0.295 75 E C -2.359 174.249 176.600 0.014 0.000 0.966 75 E CA 0.054 56.457 56.400 0.004 0.000 0.808 75 E CB 2.691 32.397 29.700 0.010 0.000 1.242 75 E HN -0.525 7.835 8.360 -0.000 0.000 0.412 76 I N 4.667 125.248 120.570 0.018 0.000 2.315 76 I HA 0.048 4.253 4.170 0.059 0.000 0.291 76 I C 0.213 176.366 176.117 0.060 0.000 1.006 76 I CA 0.336 61.665 61.300 0.049 0.000 1.265 76 I CB 0.578 38.611 38.000 0.055 0.000 1.387 76 I HN 0.518 8.735 8.210 0.011 0.000 0.475 77 R N 7.590 128.130 120.500 0.066 0.000 2.039 77 R HA 0.098 4.467 4.340 0.050 0.000 0.218 77 R C 0.554 176.893 176.300 0.065 0.000 1.220 77 R CA 1.204 57.339 56.100 0.057 0.000 0.993 77 R CB 1.077 31.407 30.300 0.049 0.000 0.881 77 R HN 0.654 8.967 8.270 0.072 0.000 0.450 78 T N 0.356 114.953 114.554 0.072 0.000 2.912 78 T HA 0.372 4.755 4.350 0.055 0.000 0.288 78 T C -2.375 172.368 174.700 0.073 0.000 1.030 78 T CA -0.978 61.159 62.100 0.062 0.000 1.020 78 T CB 2.102 71.000 68.868 0.050 0.000 1.056 78 T HN -0.400 7.885 8.240 0.075 0.000 0.480 79 L N -2.132 119.112 121.223 0.035 0.000 2.415 79 L HA 0.871 5.294 4.340 -0.049 -0.112 0.256 79 L C -1.206 175.609 176.870 -0.092 0.000 1.010 79 L CA -1.561 53.261 54.840 -0.030 0.000 0.826 79 L CB 3.376 45.452 42.059 0.027 0.000 1.405 79 L HN 0.023 8.265 8.230 0.021 0.000 0.410 80 G N -1.240 107.456 108.800 -0.173 0.000 2.650 80 G HA2 0.481 4.481 3.960 -0.120 0.000 0.310 80 G HA3 0.481 4.385 3.960 -0.094 0.000 0.310 80 G C -1.980 172.817 174.900 -0.172 0.000 1.270 80 G CA 0.622 45.641 45.100 -0.135 0.000 0.810 80 G HN 0.193 8.323 8.290 -0.266 0.000 0.493 81 S N -0.557 115.080 115.700 -0.105 0.000 2.798 81 S HA 1.157 5.713 4.470 -0.118 -0.156 0.312 81 S C -0.794 173.776 174.600 -0.051 0.000 1.122 81 S CA -2.208 55.940 58.200 -0.087 0.000 0.949 81 S CB 3.481 66.648 63.200 -0.055 0.000 1.235 81 S HN 0.363 8.627 8.310 -0.076 0.000 0.552 82 G N -2.776 106.008 108.800 -0.027 0.000 2.623 82 G HA2 0.700 4.942 3.960 0.005 0.000 0.290 82 G HA3 0.700 4.661 3.960 0.001 0.000 0.290 82 G C -3.189 171.718 174.900 0.012 0.000 1.437 82 G CA 0.234 45.333 45.100 -0.001 0.000 0.798 82 G HN -0.261 8.013 8.290 -0.026 0.000 0.488 83 V N -0.101 119.827 119.914 0.023 0.000 2.569 83 V HA 0.295 4.556 4.120 0.022 -0.129 0.301 83 V C -1.125 174.989 176.094 0.033 0.000 1.044 83 V CA -1.304 61.012 62.300 0.026 0.000 0.874 83 V CB 3.662 35.502 31.823 0.028 0.000 1.002 83 V HN -0.178 8.029 8.190 0.028 0.000 0.424 84 I N 7.267 127.853 120.570 0.026 0.000 2.471 84 I HA -0.084 4.238 4.170 0.027 -0.136 0.286 84 I C 0.143 176.277 176.117 0.028 0.000 1.079 84 I CA 1.275 62.588 61.300 0.023 0.000 1.398 84 I CB 0.212 38.216 38.000 0.006 0.000 1.403 84 I HN 0.071 8.295 8.210 0.023 0.000 0.530 85 M N 5.533 125.162 119.600 0.047 0.000 2.657 85 M HA 0.126 4.630 4.480 0.040 0.000 0.262 85 M C -0.289 176.040 176.300 0.048 0.000 1.213 85 M CA -0.450 54.883 55.300 0.055 0.000 1.182 85 M CB 0.659 33.308 32.600 0.082 0.000 1.303 85 M HN 0.242 8.569 8.290 0.062 0.000 0.501 86 D N -5.170 115.259 120.400 0.048 0.000 2.626 86 D HA 0.164 4.815 4.640 0.018 0.000 0.278 86 D C 0.157 176.440 176.300 -0.028 0.000 1.211 86 D CA -1.557 52.459 54.000 0.027 0.000 0.903 86 D CB 0.888 41.730 40.800 0.070 0.000 1.408 86 D HN -0.765 7.636 8.370 0.051 0.000 0.454 87 Q N -1.250 118.528 119.800 -0.038 0.000 2.181 87 Q HA -0.319 3.978 4.340 -0.071 0.000 0.205 87 Q C 1.880 177.798 176.000 -0.137 0.000 0.980 87 Q CA 3.322 59.082 55.803 -0.071 0.000 0.862 87 Q CB -0.182 28.527 28.738 -0.049 0.000 0.905 87 Q HN 0.399 8.657 8.270 -0.019 0.000 0.429 88 R N -2.752 117.650 120.500 -0.163 0.000 2.117 88 R HA -0.340 3.856 4.340 -0.240 0.000 0.243 88 R C 0.805 176.818 176.300 -0.478 0.000 1.143 88 R CA 1.809 57.723 56.100 -0.311 0.000 0.968 88 R CB 0.108 30.193 30.300 -0.358 0.000 0.863 88 R HN 0.003 8.190 8.270 -0.106 0.020 0.444 89 G N -5.636 102.902 108.800 -0.436 0.000 2.155 89 G HA2 -0.247 3.550 3.960 -0.273 0.000 0.135 89 G HA3 -0.247 3.624 3.960 -0.402 -0.152 0.135 89 G C -1.054 173.647 174.900 -0.330 0.000 1.023 89 G CA -0.519 44.355 45.100 -0.376 0.000 0.688 89 G HN -0.681 7.568 8.290 -0.329 -0.157 0.499 90 Y N -0.063 120.209 120.300 -0.047 0.000 2.313 90 Y HA 0.512 5.288 4.550 -0.030 -0.243 0.332 90 Y C -0.978 174.909 175.900 -0.020 0.000 1.071 90 Y CA -1.115 56.967 58.100 -0.029 0.000 1.169 90 Y CB 1.683 40.132 38.460 -0.019 0.000 1.192 90 Y HN -0.889 7.483 8.280 -0.194 -0.209 0.487 91 I N 0.996 121.658 120.570 0.154 0.000 2.533 91 I HA 0.658 5.089 4.170 0.075 -0.216 0.290 91 I C -0.758 175.402 176.117 0.070 0.000 1.056 91 I CA -1.849 59.501 61.300 0.084 0.000 1.057 91 I CB 4.079 42.111 38.000 0.053 0.000 1.240 91 I HN 0.121 8.436 8.210 0.174 0.000 0.423 92 I N 6.782 127.385 120.570 0.055 0.000 2.365 92 I HA 0.696 5.113 4.170 0.039 -0.224 0.291 92 I C -0.455 175.684 176.117 0.036 0.000 1.004 92 I CA -0.654 60.672 61.300 0.043 0.000 1.311 92 I CB 1.179 39.206 38.000 0.045 0.000 1.401 92 I HN 0.035 8.278 8.210 0.054 0.000 0.491 93 T N 5.872 120.445 114.554 0.031 0.000 2.654 93 T HA 0.333 4.697 4.350 0.024 0.000 0.289 93 T C -2.004 172.717 174.700 0.034 0.000 1.062 93 T CA -2.841 59.275 62.100 0.026 0.000 1.041 93 T CB 1.536 70.414 68.868 0.016 0.000 1.417 93 T HN 0.240 8.499 8.240 0.030 0.000 0.510 94 N N 0.544 119.266 118.700 0.037 0.000 2.456 94 N HA 0.326 5.258 4.740 0.066 -0.152 0.288 94 N C 0.819 176.357 175.510 0.046 0.000 1.059 94 N CA -0.740 52.346 53.050 0.060 0.000 0.946 94 N CB 1.103 39.639 38.487 0.082 0.000 1.150 94 N HN 0.282 8.680 8.380 0.029 0.000 0.479 95 K N 5.375 125.792 120.400 0.028 0.000 2.059 95 K HA -0.386 3.907 4.320 -0.046 0.000 0.212 95 K C 1.894 178.446 176.600 -0.080 0.000 1.050 95 K CA 3.603 59.857 56.287 -0.055 0.000 0.927 95 K CB 0.028 32.449 32.500 -0.132 0.000 0.714 95 K HN 0.192 8.444 8.250 0.042 0.024 0.447 96 H N -2.593 116.485 119.070 0.014 0.000 2.491 96 H HA -0.119 4.445 4.556 0.013 0.000 0.290 96 H C 2.246 177.579 175.328 0.008 0.000 1.050 96 H CA 2.814 58.869 56.048 0.012 0.000 1.309 96 H CB -0.032 29.737 29.762 0.012 0.000 1.392 96 H HN -0.526 7.992 8.280 0.155 -0.145 0.554 97 V N -2.625 117.352 119.914 0.104 0.000 2.453 97 V HA -0.270 3.884 4.120 0.057 0.000 0.247 97 V C 0.458 176.575 176.094 0.038 0.000 1.048 97 V CA 2.808 65.141 62.300 0.055 0.000 1.049 97 V CB 0.708 32.545 31.823 0.023 0.000 0.672 97 V HN -0.567 7.537 8.190 0.097 0.143 0.457 98 I N -10.181 110.405 120.570 0.026 0.000 3.891 98 I HA 0.074 4.262 4.170 0.030 0.000 0.331 98 I C -0.933 175.190 176.117 0.010 0.000 1.406 98 I CA -2.051 59.262 61.300 0.021 0.000 1.139 98 I CB -0.613 37.398 38.000 0.018 0.000 1.056 98 I HN -0.923 7.300 8.210 0.021 0.000 0.399 99 N N 3.080 121.782 118.700 0.004 0.000 2.492 99 N HA -0.130 4.595 4.740 -0.025 0.000 0.260 99 N C -0.050 175.467 175.510 0.011 0.000 1.215 99 N CA 1.469 54.513 53.050 -0.010 0.000 0.923 99 N CB 0.255 38.727 38.487 -0.025 0.000 1.092 99 N HN -0.754 7.576 8.380 0.012 0.058 0.448 100 D N -1.013 119.391 120.400 0.006 0.000 2.697 100 D HA -0.345 4.302 4.640 0.011 0.000 0.235 100 D C -1.727 174.586 176.300 0.022 0.000 1.167 100 D CA 1.175 55.184 54.000 0.014 0.000 0.656 100 D CB -0.270 40.540 40.800 0.018 0.000 1.025 100 D HN 0.196 8.564 8.370 -0.003 0.000 0.419 101 A N -2.534 120.299 122.820 0.022 0.000 2.260 101 A HA 0.115 4.655 4.320 0.035 -0.199 0.308 101 A C 0.162 177.764 177.584 0.029 0.000 1.254 101 A CA -1.362 50.694 52.037 0.031 0.000 0.874 101 A CB 1.647 20.669 19.000 0.036 0.000 1.153 101 A HN -0.303 7.858 8.150 0.018 0.000 0.527 102 D N 2.290 122.709 120.400 0.030 0.000 2.123 102 D HA -0.074 4.580 4.640 0.023 0.000 0.200 102 D C 0.378 176.696 176.300 0.031 0.000 0.976 102 D CA 2.093 56.109 54.000 0.027 0.000 0.831 102 D CB 0.611 41.425 40.800 0.024 0.000 0.974 102 D HN 0.108 8.498 8.370 0.032 0.000 0.469 103 Q N -2.242 117.581 119.800 0.039 0.000 2.289 103 Q HA 0.230 4.596 4.340 0.043 0.000 0.270 103 Q C -2.317 173.720 176.000 0.062 0.000 1.038 103 Q CA -0.310 55.520 55.803 0.045 0.000 0.812 103 Q CB 3.014 31.776 28.738 0.039 0.000 1.300 103 Q HN -0.790 7.505 8.270 0.042 0.000 0.427 104 I N 6.558 127.169 120.570 0.068 0.000 2.339 104 I HA 0.470 4.869 4.170 0.095 -0.173 0.290 104 I C -1.213 174.969 176.117 0.108 0.000 0.994 104 I CA -1.041 60.310 61.300 0.085 0.000 1.191 104 I CB 1.539 39.581 38.000 0.069 0.000 1.343 104 I HN 0.577 8.824 8.210 0.062 0.000 0.458 105 I N 7.790 128.451 120.570 0.152 0.000 2.406 105 I HA 0.387 4.766 4.170 0.150 -0.119 0.290 105 I C -1.377 174.876 176.117 0.227 0.000 0.999 105 I CA -1.176 60.234 61.300 0.182 0.000 1.124 105 I CB 2.681 40.784 38.000 0.172 0.000 1.289 105 I HN -0.192 8.124 8.210 0.178 0.000 0.441 106 V N 7.604 127.636 119.914 0.196 0.000 2.483 106 V HA 0.503 4.876 4.120 0.142 -0.168 0.295 106 V C -2.000 174.220 176.094 0.210 0.000 1.035 106 V CA -1.910 60.499 62.300 0.182 0.000 0.896 106 V CB 3.008 34.931 31.823 0.166 0.000 0.986 106 V HN -0.094 8.213 8.190 0.195 0.000 0.447 107 A N 6.238 129.170 122.820 0.186 0.000 2.343 107 A HA 0.584 4.978 4.320 0.124 0.000 0.308 107 A C -1.914 175.746 177.584 0.127 0.000 1.092 107 A CA -1.954 50.179 52.037 0.160 0.000 0.751 107 A CB 2.954 22.091 19.000 0.228 0.000 1.203 107 A HN 0.351 8.590 8.150 0.148 0.000 0.452 108 L N 1.828 123.121 121.223 0.117 0.000 2.399 108 L HA 0.181 4.582 4.340 0.101 0.000 0.265 108 L C 2.012 178.923 176.870 0.068 0.000 1.089 108 L CA -0.597 54.306 54.840 0.105 0.000 0.802 108 L CB 1.408 43.555 42.059 0.146 0.000 1.180 108 L HN -0.142 8.148 8.230 0.100 0.000 0.454 109 Q N 1.519 121.354 119.800 0.058 0.000 2.291 109 Q HA -0.273 4.095 4.340 0.045 0.000 0.205 109 Q C 0.589 176.610 176.000 0.035 0.000 0.970 109 Q CA 2.387 58.217 55.803 0.044 0.000 0.876 109 Q CB -0.433 28.328 28.738 0.038 0.000 0.935 109 Q HN 0.944 9.249 8.270 0.059 0.000 0.455 110 D N -5.896 114.527 120.400 0.039 0.000 2.363 110 D HA -0.090 4.564 4.640 0.024 0.000 0.220 110 D C 0.634 176.942 176.300 0.012 0.000 0.994 110 D CA -0.187 53.830 54.000 0.029 0.000 0.890 110 D CB -0.458 40.366 40.800 0.039 0.000 0.906 110 D HN -0.475 7.896 8.370 0.049 0.028 0.530 111 G N -0.706 108.097 108.800 0.005 0.000 2.278 111 G HA2 -0.385 3.565 3.960 -0.016 0.000 0.210 111 G HA3 -0.385 3.559 3.960 -0.026 0.000 0.210 111 G C -0.477 174.376 174.900 -0.079 0.000 1.000 111 G CA -0.372 44.713 45.100 -0.024 0.000 0.635 111 G HN -0.587 7.559 8.290 0.017 0.154 0.495 112 R N 2.057 122.497 120.500 -0.101 0.000 2.458 112 R HA -0.168 3.977 4.340 -0.325 0.000 0.303 112 R C -0.882 175.135 176.300 -0.471 0.000 1.013 112 R CA 0.883 56.801 56.100 -0.304 0.000 1.026 112 R CB 0.455 30.623 30.300 -0.221 0.000 0.948 112 R HN -0.390 8.120 8.270 -0.043 -0.267 0.417 113 V N 4.369 123.940 119.914 -0.571 0.000 2.435 113 V HA 0.417 4.509 4.120 -0.254 -0.124 0.290 113 V C -0.140 175.561 176.094 -0.656 0.000 1.030 113 V CA -0.797 61.251 62.300 -0.419 0.000 0.881 113 V CB 1.329 33.037 31.823 -0.192 0.000 0.983 113 V HN 0.052 7.932 8.190 -0.518 0.000 0.445 114 F N 6.815 126.785 119.950 0.033 0.000 2.611 114 F HA 0.392 4.930 4.527 0.018 0.000 0.324 114 F C -1.448 174.373 175.800 0.034 0.000 1.061 114 F CA -1.671 56.344 58.000 0.025 0.000 0.954 114 F CB 4.091 43.101 39.000 0.017 0.000 1.301 114 F HN 0.341 8.678 8.300 0.063 0.000 0.482 115 E N 0.662 120.999 120.200 0.229 0.000 2.166 115 E HA 0.438 4.997 4.350 0.134 -0.128 0.275 115 E C -1.408 175.268 176.600 0.126 0.000 0.941 115 E CA -1.542 54.944 56.400 0.142 0.000 0.784 115 E CB 2.351 32.108 29.700 0.095 0.000 1.115 115 E HN 0.231 8.738 8.360 0.244 0.000 0.399 116 A N 5.540 128.421 122.820 0.102 0.000 2.318 116 A HA 0.855 5.404 4.320 0.063 -0.191 0.324 116 A C -1.030 176.589 177.584 0.060 0.000 1.170 116 A CA -1.431 50.651 52.037 0.074 0.000 0.810 116 A CB 1.781 20.826 19.000 0.074 0.000 1.198 116 A HN -0.011 8.200 8.150 0.102 0.000 0.484 117 L N 2.192 123.446 121.223 0.051 0.000 2.397 117 L HA 0.293 4.658 4.340 0.043 0.000 0.271 117 L C -0.738 176.161 176.870 0.049 0.000 1.148 117 L CA -0.628 54.239 54.840 0.046 0.000 0.825 117 L CB 1.198 43.283 42.059 0.043 0.000 1.117 117 L HN -0.081 8.176 8.230 0.046 0.000 0.456 118 L N 1.892 123.138 121.223 0.039 0.000 2.462 118 L HA 0.056 4.418 4.340 0.036 0.000 0.283 118 L C 0.625 177.514 176.870 0.031 0.000 1.166 118 L CA -0.314 54.545 54.840 0.032 0.000 0.964 118 L CB -1.119 40.952 42.059 0.020 0.000 1.294 118 L HN 0.178 8.428 8.230 0.034 0.000 0.449 119 V N 6.309 126.249 119.914 0.044 0.000 2.287 119 V HA -0.343 3.805 4.120 0.047 0.000 0.248 119 V C 0.348 176.442 176.094 0.001 0.000 1.053 119 V CA 1.957 64.280 62.300 0.038 0.000 1.027 119 V CB 0.248 32.103 31.823 0.055 0.000 0.646 119 V HN 0.089 8.313 8.190 0.057 0.000 0.447 120 G N -5.711 103.085 108.800 -0.008 0.000 2.506 120 G HA2 0.016 3.966 3.960 -0.017 0.000 0.292 120 G HA3 0.016 3.957 3.960 -0.033 0.000 0.292 120 G C -2.988 171.900 174.900 -0.020 0.000 1.425 120 G CA -0.012 45.076 45.100 -0.021 0.000 0.788 120 G HN -0.793 7.497 8.290 -0.000 0.000 0.490 121 S N -0.449 115.236 115.700 -0.026 0.000 2.543 121 S HA 0.401 4.976 4.470 -0.024 -0.120 0.271 121 S C -1.829 172.751 174.600 -0.032 0.000 1.148 121 S CA -0.891 57.293 58.200 -0.028 0.000 0.914 121 S CB 2.709 65.889 63.200 -0.033 0.000 1.096 121 S HN -0.063 8.230 8.310 -0.028 0.000 0.471 122 D N 4.856 125.237 120.400 -0.030 0.000 2.344 122 D HA 0.371 4.992 4.640 -0.032 0.000 0.239 122 D C -0.195 176.087 176.300 -0.030 0.000 1.064 122 D CA -1.695 52.287 54.000 -0.030 0.000 0.829 122 D CB 2.173 42.955 40.800 -0.029 0.000 1.129 122 D HN -0.208 8.146 8.370 -0.026 0.000 0.506 123 S N 6.808 122.489 115.700 -0.032 0.000 2.368 123 S HA -0.240 4.202 4.470 -0.046 0.000 0.225 123 S C 1.668 176.261 174.600 -0.011 0.000 1.030 123 S CA 2.734 60.916 58.200 -0.031 0.000 0.999 123 S CB 0.253 63.436 63.200 -0.027 0.000 0.844 123 S HN 0.499 8.790 8.310 -0.031 0.000 0.459 124 L N -0.078 121.137 121.223 -0.014 0.000 2.056 124 L HA -0.202 4.135 4.340 -0.005 0.000 0.207 124 L C 0.874 177.740 176.870 -0.008 0.000 1.078 124 L CA 2.636 57.468 54.840 -0.013 0.000 0.749 124 L CB 0.472 42.513 42.059 -0.029 0.000 0.901 124 L HN -0.547 7.885 8.230 -0.021 -0.214 0.433 125 T N -8.568 105.979 114.554 -0.012 0.000 3.081 125 T HA -0.192 4.143 4.350 -0.026 0.000 0.250 125 T C 0.288 175.014 174.700 0.044 0.000 1.100 125 T CA -0.469 61.626 62.100 -0.008 0.000 1.038 125 T CB 0.269 69.119 68.868 -0.030 0.000 0.962 125 T HN -0.762 7.469 8.240 -0.016 0.000 0.516 126 D N 0.480 120.911 120.400 0.051 0.000 2.772 126 D HA -0.365 4.310 4.640 0.058 0.000 0.233 126 D C -1.765 174.579 176.300 0.073 0.000 1.143 126 D CA 1.387 55.439 54.000 0.087 0.000 0.700 126 D CB -1.379 39.525 40.800 0.173 0.000 1.076 126 D HN -0.245 8.144 8.370 0.031 0.000 0.430 127 L N -4.183 117.061 121.223 0.035 0.000 2.319 127 L HA 0.694 5.206 4.340 0.044 -0.145 0.267 127 L C -1.892 174.984 176.870 0.009 0.000 1.011 127 L CA -1.264 53.594 54.840 0.030 0.000 0.818 127 L CB 3.728 45.801 42.059 0.023 0.000 1.316 127 L HN -0.845 7.380 8.230 0.019 0.017 0.432 128 A N -1.123 121.704 122.820 0.012 0.000 2.515 128 A HA 0.656 5.066 4.320 -0.006 -0.093 0.296 128 A C -2.216 175.374 177.584 0.011 0.000 1.094 128 A CA -1.508 50.531 52.037 0.004 0.000 0.718 128 A CB 3.833 22.835 19.000 0.005 0.000 1.307 128 A HN 0.537 8.700 8.150 0.021 0.000 0.408 129 V N -0.348 119.571 119.914 0.008 0.000 2.540 129 V HA 0.859 5.209 4.120 0.033 -0.211 0.302 129 V C -0.986 175.139 176.094 0.051 0.000 1.035 129 V CA -1.787 60.526 62.300 0.021 0.000 0.873 129 V CB 2.714 34.523 31.823 -0.024 0.000 0.992 129 V HN 0.473 8.664 8.190 0.002 0.000 0.428 130 L N 3.910 125.184 121.223 0.086 0.000 2.301 130 L HA 0.916 5.471 4.340 0.079 -0.167 0.264 130 L C -1.280 175.675 176.870 0.143 0.000 1.016 130 L CA -2.054 52.841 54.840 0.091 0.000 0.821 130 L CB 3.546 45.644 42.059 0.065 0.000 1.346 130 L HN 0.510 8.797 8.230 0.095 0.000 0.429 131 K N -0.126 120.331 120.400 0.096 0.000 2.427 131 K HA 0.863 5.399 4.320 0.012 -0.208 0.252 131 K C -2.141 174.433 176.600 -0.042 0.000 0.931 131 K CA -1.773 54.538 56.287 0.041 0.000 0.793 131 K CB 3.817 36.374 32.500 0.094 0.000 1.211 131 K HN -0.151 8.144 8.250 0.075 0.000 0.426 132 I N -1.680 118.798 120.570 -0.153 0.000 2.534 132 I HA 0.518 4.619 4.170 -0.115 0.000 0.288 132 I C -1.147 174.798 176.117 -0.287 0.000 1.077 132 I CA -0.979 60.195 61.300 -0.211 0.000 1.051 132 I CB 2.790 40.584 38.000 -0.344 0.000 1.234 132 I HN -0.295 7.785 8.210 -0.217 0.000 0.425 133 N N 6.982 125.570 118.700 -0.187 0.000 3.124 133 N HA 0.107 4.743 4.740 -0.174 0.000 0.284 133 N C -0.699 174.709 175.510 -0.170 0.000 1.209 133 N CA -0.344 52.615 53.050 -0.152 0.000 1.149 133 N CB -1.851 36.601 38.487 -0.058 0.000 1.434 133 N HN 0.279 8.592 8.380 -0.111 0.000 0.529 134 A N 0.722 123.341 122.820 -0.335 0.000 2.301 134 A HA 0.245 4.482 4.320 -0.139 0.000 0.287 134 A C 1.322 178.849 177.584 -0.094 0.000 1.274 134 A CA -0.776 51.081 52.037 -0.298 0.000 0.865 134 A CB 0.959 19.581 19.000 -0.631 0.000 1.324 134 A HN -0.499 7.377 8.150 -0.393 0.037 0.508 135 T N -1.987 112.562 114.554 -0.008 0.000 2.849 135 T HA -0.274 4.080 4.350 0.007 0.000 0.270 135 T C 1.016 175.693 174.700 -0.040 0.000 1.066 135 T CA 0.945 63.045 62.100 0.001 0.000 1.130 135 T CB 0.123 69.011 68.868 0.034 0.000 0.864 135 T HN -0.007 8.263 8.240 0.051 0.000 0.481 136 G N 0.259 109.011 108.800 -0.081 0.000 2.238 136 G HA2 -0.205 3.679 3.960 -0.128 0.000 0.217 136 G HA3 -0.205 3.711 3.960 -0.074 0.000 0.217 136 G C -0.466 174.394 174.900 -0.067 0.000 0.996 136 G CA -0.459 44.586 45.100 -0.091 0.000 0.632 136 G HN -0.301 7.888 8.290 -0.108 0.037 0.503 137 G N 2.095 110.872 108.800 -0.038 0.000 2.639 137 G HA2 0.300 4.247 3.960 -0.022 0.000 0.312 137 G HA3 0.300 4.258 3.960 -0.003 0.000 0.312 137 G C -1.868 173.024 174.900 -0.013 0.000 0.911 137 G CA -0.186 44.903 45.100 -0.018 0.000 1.410 137 G HN -0.462 7.743 8.290 -0.026 0.069 0.469 138 L N 4.857 126.062 121.223 -0.030 0.000 2.354 138 L HA 0.478 4.819 4.340 0.002 0.000 0.269 138 L C -2.294 174.572 176.870 -0.007 0.000 1.005 138 L CA -3.349 51.477 54.840 -0.023 0.000 0.819 138 L CB 2.743 44.757 42.059 -0.074 0.000 1.311 138 L HN -0.520 7.938 8.230 -0.038 -0.251 0.423 139 P HA 0.075 4.500 4.420 0.009 0.000 0.271 139 P C -1.474 175.829 177.300 0.004 0.000 1.220 139 P CA -0.358 62.748 63.100 0.011 0.000 0.768 139 P CB 0.195 31.910 31.700 0.024 0.000 0.848 140 T N -0.930 113.624 114.554 0.001 0.000 2.885 140 T HA 0.114 4.595 4.350 0.002 -0.130 0.285 140 T C -0.113 174.586 174.700 -0.002 0.000 1.019 140 T CA -2.518 59.582 62.100 -0.000 0.000 1.010 140 T CB 2.998 71.865 68.868 -0.002 0.000 1.022 140 T HN -0.190 8.050 8.240 0.000 0.000 0.466 141 I N 3.856 124.424 120.570 -0.003 0.000 2.533 141 I HA 0.085 4.247 4.170 -0.012 0.000 0.284 141 I C -1.993 174.106 176.117 -0.030 0.000 1.109 141 I CA -2.340 58.951 61.300 -0.014 0.000 1.412 141 I CB 1.074 39.066 38.000 -0.013 0.000 1.396 141 I HN -0.250 7.961 8.210 0.002 0.000 0.543 142 P HA 0.032 4.427 4.420 -0.042 0.000 0.267 142 P C -1.645 175.596 177.300 -0.098 0.000 1.205 142 P CA -0.197 62.871 63.100 -0.053 0.000 0.765 142 P CB 0.421 32.094 31.700 -0.045 0.000 0.828 143 I N 1.311 121.818 120.570 -0.104 0.000 2.689 143 I HA 0.145 4.149 4.170 -0.278 0.000 0.299 143 I C -1.646 174.375 176.117 -0.158 0.000 1.059 143 I CA -1.201 59.990 61.300 -0.182 0.000 1.055 143 I CB 3.514 41.437 38.000 -0.128 0.000 1.243 143 I HN -0.069 8.097 8.210 -0.074 0.000 0.425 144 N N 6.477 125.026 118.700 -0.251 0.000 2.640 144 N HA 0.145 4.851 4.740 -0.056 0.000 0.262 144 N C 0.014 175.505 175.510 -0.032 0.000 1.174 144 N CA -0.563 52.416 53.050 -0.118 0.000 0.791 144 N CB 0.990 39.420 38.487 -0.095 0.000 1.279 144 N HN 0.299 8.412 8.380 -0.445 0.000 0.535 145 A N 4.497 127.380 122.820 0.104 0.000 2.070 145 A HA -0.138 4.546 4.320 0.606 0.000 0.220 145 A C 0.738 178.463 177.584 0.235 0.000 1.159 145 A CA 2.042 54.258 52.037 0.299 0.000 0.656 145 A CB 0.113 19.229 19.000 0.194 0.000 0.800 145 A HN 0.451 8.644 8.150 0.071 0.000 0.453 146 R N -3.227 117.354 120.500 0.135 0.000 2.153 146 R HA -0.096 4.299 4.340 0.091 0.000 0.218 146 R C 0.657 177.027 176.300 0.117 0.000 1.072 146 R CA 0.550 56.711 56.100 0.101 0.000 0.990 146 R CB 0.235 30.572 30.300 0.063 0.000 0.889 146 R HN -0.655 7.818 8.270 0.099 -0.144 0.452 147 R N 1.659 122.237 120.500 0.131 0.000 2.570 147 R HA -0.136 4.267 4.340 0.105 0.000 0.277 147 R C -0.886 175.513 176.300 0.165 0.000 1.039 147 R CA 0.878 57.052 56.100 0.124 0.000 1.065 147 R CB 0.333 30.671 30.300 0.062 0.000 0.964 147 R HN -0.602 7.792 8.270 0.117 -0.054 0.428 148 V N 6.693 126.660 119.914 0.090 0.000 2.384 148 V HA 0.215 4.330 4.120 -0.008 0.000 0.287 148 V C -1.903 174.062 176.094 -0.214 0.000 1.020 148 V CA -3.450 58.818 62.300 -0.053 0.000 0.850 148 V CB 1.652 33.396 31.823 -0.131 0.000 0.987 148 V HN 0.167 8.423 8.190 0.110 0.000 0.436 149 P HA -0.019 4.399 4.420 -0.003 0.000 0.271 149 P C -1.647 175.471 177.300 -0.304 0.000 1.220 149 P CA -0.252 62.787 63.100 -0.102 0.000 0.768 149 P CB 0.515 32.219 31.700 0.007 0.000 0.848 150 H N 3.363 122.459 119.070 0.044 0.000 2.529 150 H HA 0.232 4.807 4.556 0.030 0.000 0.348 150 H C -0.201 175.142 175.328 0.026 0.000 1.079 150 H CA -1.449 54.618 56.048 0.031 0.000 1.198 150 H CB 3.161 32.939 29.762 0.027 0.000 1.521 150 H HN -0.178 8.401 8.280 0.118 -0.228 0.514 151 I N 3.989 124.636 120.570 0.129 0.000 2.752 151 I HA -0.586 3.746 4.170 0.063 -0.124 0.286 151 I C 1.154 177.317 176.117 0.075 0.000 1.180 151 I CA 2.209 63.557 61.300 0.080 0.000 1.404 151 I CB -0.987 37.049 38.000 0.060 0.000 1.389 151 I HN 0.675 8.958 8.210 0.122 0.000 0.549 152 G N 7.082 115.914 108.800 0.053 0.000 2.192 152 G HA2 -0.294 3.681 3.960 0.026 0.000 0.193 152 G HA3 -0.294 3.689 3.960 0.039 0.000 0.193 152 G C -0.658 174.264 174.900 0.036 0.000 0.999 152 G CA -0.627 44.496 45.100 0.038 0.000 0.659 152 G HN 0.228 8.545 8.290 0.045 0.000 0.503 153 D N 2.469 122.900 120.400 0.051 0.000 2.383 153 D HA 0.030 4.695 4.640 0.041 0.000 0.252 153 D C 0.064 176.361 176.300 -0.006 0.000 1.166 153 D CA 0.667 54.691 54.000 0.040 0.000 0.879 153 D CB 0.523 41.365 40.800 0.069 0.000 1.164 153 D HN -0.327 8.084 8.370 0.068 0.000 0.462 154 V N 4.281 124.175 119.914 -0.032 0.000 2.493 154 V HA -0.085 4.150 4.120 -0.113 -0.183 0.292 154 V C -0.166 175.832 176.094 -0.159 0.000 1.016 154 V CA 1.044 63.272 62.300 -0.120 0.000 1.097 154 V CB -0.198 31.520 31.823 -0.175 0.000 0.947 154 V HN 0.393 8.576 8.190 -0.012 0.000 0.479 155 V N 1.549 121.368 119.914 -0.157 0.000 3.074 155 V HA 0.814 4.989 4.120 -0.132 -0.135 0.314 155 V C -1.892 174.106 176.094 -0.159 0.000 1.117 155 V CA -3.658 58.563 62.300 -0.132 0.000 1.014 155 V CB 3.994 35.780 31.823 -0.062 0.000 1.057 155 V HN 0.292 8.287 8.190 -0.144 0.109 0.438 156 L N -1.185 119.968 121.223 -0.116 0.000 2.385 156 L HA 0.784 5.245 4.340 -0.102 -0.183 0.273 156 L C -1.267 175.574 176.870 -0.049 0.000 0.990 156 L CA -1.956 52.829 54.840 -0.092 0.000 0.821 156 L CB 3.616 45.626 42.059 -0.083 0.000 1.279 156 L HN 0.064 8.240 8.230 -0.091 0.000 0.412 157 A N 3.073 125.870 122.820 -0.038 0.000 2.252 157 A HA 0.706 5.179 4.320 -0.019 -0.164 0.309 157 A C -1.141 176.435 177.584 -0.015 0.000 1.285 157 A CA -1.730 50.293 52.037 -0.023 0.000 0.900 157 A CB 1.478 20.462 19.000 -0.026 0.000 1.157 157 A HN 0.517 8.643 8.150 -0.041 0.000 0.536 158 I N 3.712 124.276 120.570 -0.010 0.000 2.377 158 I HA 0.882 5.257 4.170 -0.002 -0.206 0.293 158 I C -0.226 175.885 176.117 -0.009 0.000 0.987 158 I CA -1.651 59.647 61.300 -0.005 0.000 1.185 158 I CB 1.645 39.645 38.000 -0.000 0.000 1.341 158 I HN -0.085 8.119 8.210 -0.009 0.000 0.455 159 G N 5.006 113.800 108.800 -0.010 0.000 2.428 159 G HA2 0.106 4.051 3.960 -0.025 0.000 0.305 159 G HA3 0.106 4.048 3.960 -0.031 0.000 0.305 159 G C -3.303 171.583 174.900 -0.023 0.000 1.260 159 G CA 0.788 45.873 45.100 -0.024 0.000 0.853 159 G HN -0.220 8.067 8.290 -0.005 0.000 0.480 160 N N 0.750 119.424 118.700 -0.043 0.000 2.791 160 N HA 0.693 5.588 4.740 -0.004 -0.157 0.265 160 N C -2.287 173.197 175.510 -0.043 0.000 1.580 160 N CA -3.342 49.689 53.050 -0.031 0.000 0.809 160 N CB 1.617 40.074 38.487 -0.051 0.000 1.178 160 N HN -0.263 8.080 8.380 -0.060 0.000 0.499 161 P HA 0.021 4.450 4.420 -0.228 -0.147 0.266 161 P C -0.256 177.065 177.300 0.034 0.000 1.215 161 P CA 0.335 63.382 63.100 -0.087 0.000 0.763 161 P CB -0.270 31.441 31.700 0.018 0.000 0.806 162 Y N 0.750 121.058 120.300 0.014 0.000 3.617 162 Y HA -0.563 4.001 4.550 0.023 0.000 0.215 162 Y C -0.875 175.047 175.900 0.036 0.000 1.178 162 Y CA 0.966 59.079 58.100 0.022 0.000 1.517 162 Y CB -2.865 35.605 38.460 0.015 0.000 1.457 162 Y HN 0.026 8.028 8.280 -0.463 0.000 0.615 163 N N -3.604 115.173 118.700 0.127 0.000 2.725 163 N HA -0.353 4.588 4.740 0.121 -0.128 0.249 163 N C 0.295 175.879 175.510 0.123 0.000 1.103 163 N CA 1.141 54.271 53.050 0.133 0.000 0.707 163 N CB -0.744 37.839 38.487 0.161 0.000 1.043 163 N HN -0.398 7.991 8.380 0.067 0.031 0.553 164 L N -3.305 117.988 121.223 0.117 0.000 2.554 164 L HA -0.114 4.279 4.340 0.088 0.000 0.226 164 L C 0.569 177.483 176.870 0.074 0.000 1.137 164 L CA 0.451 55.348 54.840 0.095 0.000 0.863 164 L CB -0.084 42.036 42.059 0.102 0.000 0.985 164 L HN -0.311 7.975 8.230 0.122 0.018 0.451 165 G N -2.147 106.698 108.800 0.075 0.000 2.612 165 G HA2 -0.226 3.777 3.960 0.071 0.000 0.686 165 G HA3 -0.226 3.768 3.960 0.057 0.000 0.686 165 G C -1.453 173.475 174.900 0.046 0.000 1.274 165 G CA -0.995 44.143 45.100 0.062 0.000 0.849 165 G HN -0.517 8.008 8.290 0.082 -0.186 0.595 166 Q N 1.995 121.818 119.800 0.039 0.000 2.239 166 Q HA -0.060 4.535 4.340 0.019 -0.244 0.286 166 Q C -0.080 175.937 176.000 0.028 0.000 1.102 166 Q CA 1.134 56.953 55.803 0.027 0.000 0.936 166 Q CB 0.262 29.015 28.738 0.026 0.000 1.127 166 Q HN 0.353 8.648 8.270 0.042 0.000 0.380 167 T N 8.173 122.741 114.554 0.023 0.000 2.895 167 T HA 0.208 4.576 4.350 0.030 0.000 0.283 167 T C -1.873 172.838 174.700 0.018 0.000 1.014 167 T CA -0.498 61.618 62.100 0.026 0.000 1.037 167 T CB 2.043 70.930 68.868 0.032 0.000 1.006 167 T HN 0.461 8.711 8.240 0.017 0.000 0.468 168 I N 2.983 123.566 120.570 0.022 0.000 2.418 168 I HA 0.574 4.937 4.170 0.009 -0.187 0.287 168 I C -0.141 175.986 176.117 0.016 0.000 1.008 168 I CA -2.197 59.113 61.300 0.017 0.000 1.104 168 I CB 1.063 39.079 38.000 0.026 0.000 1.264 168 I HN 0.300 8.526 8.210 0.026 0.000 0.438 169 T N 5.573 120.129 114.554 0.003 0.000 2.887 169 T HA 0.402 4.759 4.350 0.010 0.000 0.288 169 T C -1.996 172.690 174.700 -0.024 0.000 1.021 169 T CA -1.806 60.293 62.100 -0.001 0.000 1.000 169 T CB 2.478 71.344 68.868 -0.004 0.000 1.034 169 T HN 0.416 8.653 8.240 -0.005 0.000 0.467 170 Q N 3.076 122.861 119.800 -0.025 0.000 2.301 170 Q HA 0.686 5.102 4.340 -0.113 -0.144 0.267 170 Q C -0.474 175.487 176.000 -0.065 0.000 1.035 170 Q CA -1.091 54.668 55.803 -0.072 0.000 0.856 170 Q CB 3.721 32.425 28.738 -0.057 0.000 1.337 170 Q HN 0.271 8.537 8.270 -0.007 0.000 0.450 171 G N 2.071 110.813 108.800 -0.097 0.000 2.500 171 G HA2 0.633 4.563 3.960 -0.050 0.000 0.299 171 G HA3 0.633 4.634 3.960 -0.060 -0.077 0.299 171 G C -2.718 172.135 174.900 -0.078 0.000 1.242 171 G CA 0.630 45.689 45.100 -0.069 0.000 0.859 171 G HN 0.075 8.280 8.290 -0.140 0.000 0.481 172 I N -6.147 114.392 120.570 -0.051 0.000 3.322 172 I HA 0.944 5.279 4.170 -0.047 -0.192 0.313 172 I C -1.470 174.632 176.117 -0.025 0.000 1.129 172 I CA -3.025 58.252 61.300 -0.037 0.000 0.963 172 I CB 4.415 42.405 38.000 -0.017 0.000 1.273 172 I HN 0.226 8.694 8.210 -0.045 -0.284 0.473 173 I N 0.475 121.043 120.570 -0.003 0.000 2.308 173 I HA 0.146 4.442 4.170 0.003 -0.124 0.293 173 I C 0.515 176.639 176.117 0.011 0.000 1.078 173 I CA 0.038 61.344 61.300 0.010 0.000 1.292 173 I CB -0.772 37.248 38.000 0.033 0.000 1.423 173 I HN -0.230 7.982 8.210 0.004 0.000 0.493 174 S N 9.214 124.911 115.700 -0.004 0.000 2.387 174 S HA -0.174 4.294 4.470 -0.003 0.000 0.226 174 S C -0.515 174.096 174.600 0.017 0.000 1.026 174 S CA 1.869 60.066 58.200 -0.005 0.000 0.972 174 S CB 0.551 63.730 63.200 -0.035 0.000 0.814 174 S HN 0.558 8.759 8.310 -0.016 0.100 0.477 175 A N -4.572 118.270 122.820 0.036 0.000 2.599 175 A HA 0.320 4.667 4.320 0.045 0.000 0.290 175 A C -2.023 175.605 177.584 0.073 0.000 1.101 175 A CA -0.192 51.878 52.037 0.055 0.000 0.674 175 A CB 1.548 20.589 19.000 0.067 0.000 1.277 175 A HN -0.914 7.258 8.150 0.038 0.000 0.419 176 T N -4.484 110.109 114.554 0.064 0.000 2.969 176 T HA 0.241 4.634 4.350 0.073 0.000 0.258 176 T C 0.338 175.070 174.700 0.054 0.000 0.962 176 T CA 0.413 62.547 62.100 0.056 0.000 0.903 176 T CB 1.302 70.181 68.868 0.018 0.000 1.177 176 T HN 0.002 8.275 8.240 0.054 0.000 0.511 177 G N 0.591 109.423 108.800 0.053 0.000 3.393 177 G HA2 0.142 4.106 3.960 0.008 0.000 0.255 177 G HA3 0.142 4.111 3.960 0.015 0.000 0.255 177 G C -0.372 174.555 174.900 0.045 0.000 1.097 177 G CA -0.451 44.666 45.100 0.028 0.000 0.780 177 G HN -0.161 8.163 8.290 0.057 0.000 0.540 178 R N 0.091 120.659 120.500 0.114 0.000 2.590 178 R HA -0.017 4.364 4.340 0.069 0.000 0.274 178 R C -1.092 175.299 176.300 0.151 0.000 1.061 178 R CA 0.099 56.273 56.100 0.125 0.000 1.081 178 R CB 0.167 30.596 30.300 0.215 0.000 0.984 178 R HN -0.389 7.917 8.270 0.152 0.056 0.448 189 F N -1.148 118.781 119.950 -0.035 0.000 2.706 189 F HA 0.414 4.947 4.527 0.010 0.000 0.328 189 F C -1.606 174.235 175.800 0.067 0.000 1.123 189 F CA -2.345 55.662 58.000 0.012 0.000 0.978 189 F CB 4.997 43.986 39.000 -0.019 0.000 1.404 189 F HN -0.558 7.877 8.300 0.097 -0.077 0.497 190 L N -0.405 121.055 121.223 0.395 0.000 2.333 190 L HA 0.338 4.934 4.340 0.197 -0.138 0.280 190 L C -1.709 175.313 176.870 0.254 0.000 1.004 190 L CA -1.298 53.688 54.840 0.244 0.000 0.820 190 L CB 2.850 45.007 42.059 0.164 0.000 1.247 190 L HN 0.296 8.812 8.230 0.477 0.000 0.416 191 Q N 4.989 124.893 119.800 0.173 0.000 2.243 191 Q HA 0.643 5.101 4.340 -0.120 -0.190 0.252 191 Q C -0.876 175.084 176.000 -0.067 0.000 0.909 191 Q CA -1.032 54.771 55.803 -0.001 0.000 0.922 191 Q CB 2.588 31.336 28.738 0.017 0.000 1.215 191 Q HN -0.012 8.352 8.270 0.156 0.000 0.427 192 T N 5.118 119.575 114.554 -0.161 0.000 2.993 192 T HA 0.614 5.063 4.350 -0.075 -0.144 0.312 192 T C -1.304 173.314 174.700 -0.136 0.000 1.115 192 T CA -2.410 59.626 62.100 -0.107 0.000 1.027 192 T CB 1.477 70.304 68.868 -0.068 0.000 1.116 192 T HN 0.517 8.593 8.240 -0.273 0.000 0.464 193 D N 6.308 126.652 120.400 -0.093 0.000 2.336 193 D HA 0.134 4.768 4.640 -0.101 -0.054 0.228 193 D C -0.383 175.879 176.300 -0.063 0.000 1.120 193 D CA -1.629 52.322 54.000 -0.081 0.000 0.839 193 D CB -0.776 39.990 40.800 -0.057 0.000 0.932 193 D HN 0.128 8.454 8.370 -0.073 0.000 0.509 194 A N 0.771 123.552 122.820 -0.065 0.000 2.492 194 A HA -0.065 4.374 4.320 -0.045 -0.146 0.254 194 A C -0.342 177.212 177.584 -0.051 0.000 1.091 194 A CA 0.496 52.501 52.037 -0.053 0.000 0.768 194 A CB 0.452 19.419 19.000 -0.055 0.000 1.028 194 A HN -0.648 7.398 8.150 -0.071 0.062 0.498 195 S N 2.689 118.370 115.700 -0.032 0.000 2.555 195 S HA -0.114 4.339 4.470 -0.029 0.000 0.293 195 S C -0.941 173.643 174.600 -0.026 0.000 1.248 195 S CA 0.664 58.850 58.200 -0.023 0.000 1.096 195 S CB 0.051 63.250 63.200 -0.001 0.000 0.881 195 S HN 0.199 8.494 8.310 -0.025 0.000 0.498 196 I N 6.913 127.460 120.570 -0.038 0.000 2.378 196 I HA 0.230 4.524 4.170 -0.045 -0.151 0.291 196 I C -1.041 175.048 176.117 -0.047 0.000 0.992 196 I CA -2.014 59.258 61.300 -0.047 0.000 1.154 196 I CB 0.356 38.319 38.000 -0.061 0.000 1.315 196 I HN 0.408 8.592 8.210 -0.044 0.000 0.448 197 N N 7.542 126.195 118.700 -0.079 0.000 2.469 197 N HA 0.486 5.168 4.740 -0.096 0.000 0.286 197 N C -3.065 172.292 175.510 -0.256 0.000 1.275 197 N CA -2.241 50.720 53.050 -0.148 0.000 0.790 197 N CB 2.228 40.626 38.487 -0.149 0.000 1.446 197 N HN 0.296 8.926 8.380 -0.086 -0.302 0.501 198 P HA -0.225 4.071 4.420 -0.207 0.000 0.258 198 P C -0.594 176.483 177.300 -0.372 0.000 1.187 198 P CA 1.389 64.290 63.100 -0.332 0.000 0.767 198 P CB -0.472 31.026 31.700 -0.337 0.000 0.770 199 G N 3.255 111.929 108.800 -0.210 0.000 2.284 199 G HA2 -0.358 3.520 3.960 -0.137 0.000 0.201 199 G HA3 -0.358 3.624 3.960 -0.194 -0.138 0.201 199 G C 0.828 175.655 174.900 -0.122 0.000 0.998 199 G CA 0.698 45.698 45.100 -0.167 0.000 0.651 199 G HN 0.021 8.215 8.290 -0.160 0.000 0.489 200 N N 0.699 119.331 118.700 -0.115 0.000 2.467 200 N HA -0.106 4.596 4.740 -0.063 0.000 0.184 200 N C -0.245 175.237 175.510 -0.047 0.000 1.106 200 N CA 1.000 54.007 53.050 -0.072 0.000 0.892 200 N CB 0.808 39.256 38.487 -0.065 0.000 0.969 200 N HN -0.083 8.214 8.380 -0.138 0.000 0.454 201 S N -1.644 114.027 115.700 -0.049 0.000 2.560 201 S HA -0.277 4.308 4.470 -0.005 -0.118 0.284 201 S C 0.998 175.593 174.600 -0.008 0.000 1.327 201 S CA 2.271 60.460 58.200 -0.019 0.000 1.055 201 S CB 0.286 63.477 63.200 -0.016 0.000 0.868 201 S HN -0.639 7.566 8.310 -0.067 0.065 0.506 202 G N 3.133 111.945 108.800 0.019 0.000 2.166 202 G HA2 -0.497 3.487 3.960 0.039 0.000 0.260 202 G HA3 -0.497 3.473 3.960 0.016 0.000 0.260 202 G C -0.532 174.377 174.900 0.015 0.000 0.986 202 G CA 0.473 45.587 45.100 0.023 0.000 0.683 202 G HN 0.350 8.660 8.290 0.033 0.000 0.527 203 G N -1.303 107.503 108.800 0.009 0.000 2.525 203 G HA2 0.487 4.447 3.960 0.000 0.000 0.287 203 G HA3 0.487 4.650 3.960 -0.004 -0.205 0.287 203 G C -2.623 172.289 174.900 0.019 0.000 1.350 203 G CA -1.688 43.414 45.100 0.005 0.000 1.039 203 G HN -0.655 7.587 8.290 0.008 0.052 0.513 204 A N -2.901 119.927 122.820 0.013 0.000 2.337 204 A HA 0.655 5.114 4.320 0.030 -0.121 0.331 204 A C -2.294 175.297 177.584 0.012 0.000 1.137 204 A CA -1.941 50.106 52.037 0.017 0.000 0.807 204 A CB 3.410 22.415 19.000 0.009 0.000 1.250 204 A HN -0.333 7.821 8.150 0.006 0.000 0.468 205 L N 3.213 124.447 121.223 0.019 0.000 2.377 205 L HA 0.912 5.479 4.340 -0.005 -0.229 0.270 205 L C -1.979 174.889 176.870 -0.002 0.000 0.991 205 L CA -0.777 54.068 54.840 0.009 0.000 0.851 205 L CB 3.299 45.375 42.059 0.028 0.000 1.218 205 L HN -0.206 8.041 8.230 0.029 0.000 0.420 206 V N 1.938 121.837 119.914 -0.024 0.000 2.628 206 V HA 0.970 5.247 4.120 -0.041 -0.181 0.306 206 V C -0.890 175.175 176.094 -0.048 0.000 1.045 206 V CA -3.648 58.630 62.300 -0.038 0.000 0.905 206 V CB 3.222 35.023 31.823 -0.037 0.000 0.997 206 V HN -0.003 8.170 8.190 -0.028 0.000 0.436 207 N N 3.684 122.358 118.700 -0.043 0.000 2.290 207 N HA 0.171 5.040 4.740 -0.062 -0.166 0.269 207 N C 1.996 177.481 175.510 -0.042 0.000 1.295 207 N CA -0.686 52.338 53.050 -0.043 0.000 0.932 207 N CB 0.403 38.882 38.487 -0.013 0.000 1.128 207 N HN -0.227 8.127 8.380 -0.043 0.000 0.532 208 S N -0.930 114.756 115.700 -0.023 0.000 2.500 208 S HA -0.207 4.285 4.470 0.038 0.000 0.239 208 S C 0.553 175.197 174.600 0.074 0.000 0.989 208 S CA 2.386 60.617 58.200 0.053 0.000 0.951 208 S CB -0.698 62.593 63.200 0.152 0.000 0.759 208 S HN 0.289 8.588 8.310 -0.019 0.000 0.523 209 L N -2.905 118.337 121.223 0.032 0.000 2.585 209 L HA 0.211 4.572 4.340 0.035 0.000 0.226 209 L C 0.527 177.400 176.870 0.005 0.000 1.113 209 L CA -0.067 54.786 54.840 0.022 0.000 0.876 209 L CB 0.237 42.302 42.059 0.010 0.000 1.072 209 L HN -0.468 7.999 8.230 0.015 -0.227 0.468 210 G N -2.418 106.379 108.800 -0.005 0.000 2.175 210 G HA2 -0.462 3.490 3.960 -0.013 0.000 0.244 210 G HA3 -0.462 3.493 3.960 -0.009 0.000 0.244 210 G C -0.550 174.322 174.900 -0.045 0.000 0.982 210 G CA -0.123 44.968 45.100 -0.016 0.000 0.641 210 G HN -0.252 7.956 8.290 -0.005 0.079 0.527 211 E N 0.195 120.356 120.200 -0.064 0.000 2.316 211 E HA -0.144 4.301 4.350 -0.130 -0.173 0.275 211 E C -0.306 176.200 176.600 -0.157 0.000 1.029 211 E CA -0.546 55.780 56.400 -0.124 0.000 0.871 211 E CB 0.794 30.413 29.700 -0.134 0.000 1.022 211 E HN -0.703 7.788 8.360 -0.051 -0.162 0.418 212 L N 5.511 126.605 121.223 -0.216 0.000 2.513 212 L HA -0.254 4.026 4.340 -0.100 0.000 0.272 212 L C -0.854 175.861 176.870 -0.257 0.000 1.187 212 L CA 1.372 56.098 54.840 -0.191 0.000 0.895 212 L CB 0.282 42.239 42.059 -0.169 0.000 1.147 212 L HN -0.158 7.934 8.230 -0.230 0.000 0.483 213 M N 3.342 122.927 119.600 -0.027 0.000 2.567 213 M HA 0.187 4.792 4.480 0.208 0.000 0.261 213 M C 0.024 176.496 176.300 0.287 0.000 1.180 213 M CA -0.179 55.210 55.300 0.148 0.000 1.143 213 M CB 1.562 34.216 32.600 0.090 0.000 1.319 213 M HN 0.702 8.884 8.290 -0.004 0.105 0.490 214 G N -3.440 105.472 108.800 0.186 0.000 2.430 214 G HA2 0.254 4.500 3.960 0.227 0.000 0.300 214 G HA3 0.254 4.329 3.960 0.169 -0.014 0.300 214 G C -3.008 171.968 174.900 0.128 0.000 1.330 214 G CA 0.470 45.680 45.100 0.183 0.000 0.813 214 G HN -0.688 7.675 8.290 0.122 0.000 0.487 215 I N -1.303 119.343 120.570 0.127 0.000 2.382 215 I HA 0.507 4.904 4.170 0.080 -0.179 0.286 215 I C -0.716 175.464 176.117 0.106 0.000 1.002 215 I CA -3.652 57.707 61.300 0.100 0.000 1.135 215 I CB 0.715 38.771 38.000 0.094 0.000 1.288 215 I HN 0.075 8.370 8.210 0.142 0.000 0.448 216 N N 8.672 127.416 118.700 0.072 0.000 2.412 216 N HA -0.078 4.875 4.740 0.074 -0.168 0.258 216 N C 0.362 175.913 175.510 0.068 0.000 1.236 216 N CA 1.476 54.562 53.050 0.061 0.000 0.882 216 N CB 0.292 38.792 38.487 0.022 0.000 1.066 216 N HN -0.046 8.367 8.380 0.055 0.000 0.465 217 T N 4.061 118.662 114.554 0.079 0.000 3.395 217 T HA 0.042 4.442 4.350 0.083 0.000 0.230 217 T C -0.739 173.980 174.700 0.032 0.000 0.958 217 T CA 2.362 64.507 62.100 0.074 0.000 1.377 217 T CB 1.529 70.454 68.868 0.095 0.000 1.124 217 T HN -0.010 8.279 8.240 0.083 0.000 0.425 218 L N -3.146 118.094 121.223 0.029 0.000 2.669 218 L HA 0.194 4.533 4.340 -0.003 0.000 0.255 218 L C -2.306 174.598 176.870 0.057 0.000 1.123 218 L CA -1.064 53.789 54.840 0.021 0.000 0.941 218 L CB 2.910 44.973 42.059 0.007 0.000 1.552 218 L HN -0.465 7.789 8.230 0.040 0.000 0.394 219 S N -1.987 113.737 115.700 0.041 0.000 2.718 219 S HA 0.378 4.935 4.470 -0.011 -0.094 0.300 219 S C -1.071 173.636 174.600 0.178 0.000 1.117 219 S CA -0.709 57.518 58.200 0.044 0.000 1.002 219 S CB 1.830 65.022 63.200 -0.014 0.000 1.092 219 S HN -0.050 8.271 8.310 0.018 0.000 0.542 220 F N 3.780 123.743 119.950 0.022 0.000 2.420 220 F HA -0.013 4.597 4.527 0.139 0.000 0.352 220 F C -1.217 174.600 175.800 0.027 0.000 1.108 220 F CA 0.010 58.064 58.000 0.090 0.000 1.162 220 F CB 0.849 39.922 39.000 0.120 0.000 1.118 220 F HN -0.163 8.261 8.300 0.207 0.000 0.510 227 E N 1.088 121.244 120.200 -0.073 0.000 2.501 227 E HA 0.129 4.366 4.350 -0.187 0.000 0.201 227 E C -0.411 176.101 176.600 -0.146 0.000 1.016 227 E CA -0.195 56.127 56.400 -0.130 0.000 0.920 227 E CB 0.794 30.441 29.700 -0.088 0.000 1.023 227 E HN 0.076 8.404 8.360 -0.052 0.000 0.474 228 T N 1.569 116.058 114.554 -0.109 0.000 3.418 228 T HA 0.349 4.636 4.350 -0.105 0.000 0.315 228 T C -2.024 172.640 174.700 -0.060 0.000 1.447 228 T CA -3.300 58.748 62.100 -0.086 0.000 1.641 228 T CB 0.106 68.945 68.868 -0.048 0.000 0.904 228 T HN -0.554 7.635 8.240 -0.084 0.000 0.640 229 P HA 0.166 4.610 4.420 0.041 0.000 0.272 229 P C -1.889 175.414 177.300 0.006 0.000 1.230 229 P CA -0.360 62.744 63.100 0.007 0.000 0.788 229 P CB 0.695 32.442 31.700 0.078 0.000 0.949 230 E N 0.420 120.633 120.200 0.022 0.000 2.256 230 E HA 0.053 4.402 4.350 -0.003 0.000 0.268 230 E C -0.200 176.397 176.600 -0.005 0.000 0.877 230 E CA -0.207 56.196 56.400 0.004 0.000 0.757 230 E CB 1.201 30.903 29.700 0.003 0.000 1.183 230 E HN 0.049 8.432 8.360 0.038 0.000 0.418 231 G N 3.012 111.797 108.800 -0.024 0.000 2.246 231 G HA2 -0.371 3.557 3.960 -0.054 0.000 0.273 231 G HA3 -0.371 3.565 3.960 -0.039 0.000 0.273 231 G C -1.260 173.588 174.900 -0.087 0.000 1.055 231 G CA 0.474 45.545 45.100 -0.048 0.000 0.851 231 G HN 0.619 8.895 8.290 -0.023 0.000 0.500 232 I N 0.239 120.744 120.570 -0.108 0.000 2.537 232 I HA 0.059 4.057 4.170 -0.287 0.000 0.276 232 I C -2.103 173.776 176.117 -0.396 0.000 1.063 232 I CA -1.209 59.952 61.300 -0.231 0.000 1.144 232 I CB 0.267 38.212 38.000 -0.092 0.000 1.252 232 I HN -0.450 7.716 8.210 -0.074 0.000 0.480 233 G N 4.061 112.557 108.800 -0.508 0.000 2.600 233 G HA2 0.886 4.671 3.960 -0.454 0.000 0.303 233 G HA3 0.886 4.673 3.960 -0.288 0.000 0.303 233 G C -2.576 171.866 174.900 -0.763 0.000 1.253 233 G CA -1.678 43.118 45.100 -0.506 0.000 0.974 233 G HN 0.087 8.118 8.290 -0.432 0.000 0.483 234 F N -2.403 117.471 119.950 -0.127 0.000 2.611 234 F HA 1.086 5.776 4.527 -0.120 -0.235 0.324 234 F C -1.432 174.318 175.800 -0.084 0.000 1.061 234 F CA -2.353 55.536 58.000 -0.186 0.000 0.954 234 F CB 5.249 43.932 39.000 -0.528 0.000 1.301 234 F HN -0.114 8.127 8.300 -0.099 0.000 0.482 235 A N -1.497 121.485 122.820 0.270 0.000 2.540 235 A HA 0.508 5.115 4.320 0.224 -0.153 0.297 235 A C -1.840 175.980 177.584 0.394 0.000 1.056 235 A CA -0.935 51.258 52.037 0.261 0.000 0.700 235 A CB 3.492 22.588 19.000 0.159 0.000 1.280 235 A HN 0.249 8.619 8.150 0.367 0.000 0.398 236 I N 2.888 123.658 120.570 0.333 0.000 2.598 236 I HA 0.146 4.419 4.170 0.172 0.000 0.284 236 I C -1.469 174.722 176.117 0.123 0.000 1.140 236 I CA -3.213 58.206 61.300 0.199 0.000 1.420 236 I CB -0.563 37.510 38.000 0.120 0.000 1.387 236 I HN -0.112 8.273 8.210 0.292 0.000 0.553 237 P HA 0.044 4.653 4.420 0.079 -0.142 0.266 237 P C 0.988 178.273 177.300 -0.025 0.000 1.195 237 P CA -0.001 63.102 63.100 0.005 0.000 0.768 237 P CB 0.166 31.802 31.700 -0.107 0.000 0.838 238 F N 3.362 123.316 119.950 0.006 0.000 2.293 238 F HA -0.340 4.191 4.527 0.007 0.000 0.300 238 F C 1.160 176.955 175.800 -0.009 0.000 1.086 238 F CA 3.623 61.625 58.000 0.002 0.000 1.375 238 F CB -0.579 38.424 39.000 0.004 0.000 1.045 238 F HN -0.393 8.069 8.300 0.271 0.000 0.516 239 Q N 0.870 120.073 119.800 -0.996 0.000 2.002 239 Q HA -0.414 3.599 4.340 -0.545 0.000 0.204 239 Q C 2.071 177.915 176.000 -0.260 0.000 0.988 239 Q CA 3.535 58.955 55.803 -0.638 0.000 0.843 239 Q CB -0.902 27.458 28.738 -0.631 0.000 0.908 239 Q HN 0.161 7.586 8.270 -1.385 0.013 0.420 240 L N -1.948 119.139 121.223 -0.227 0.000 2.083 240 L HA -0.261 3.998 4.340 -0.134 0.000 0.209 240 L C 1.304 178.124 176.870 -0.083 0.000 1.083 240 L CA 2.423 57.178 54.840 -0.142 0.000 0.752 240 L CB -0.829 41.139 42.059 -0.151 0.000 0.899 240 L HN -0.323 7.747 8.230 -0.268 0.000 0.433 241 A N -2.077 120.715 122.820 -0.046 0.000 1.898 241 A HA -0.314 4.005 4.320 -0.003 0.000 0.216 241 A C 2.069 179.662 177.584 0.014 0.000 1.181 241 A CA 3.192 55.234 52.037 0.007 0.000 0.620 241 A CB -0.751 18.286 19.000 0.062 0.000 0.819 241 A HN -0.106 7.916 8.150 -0.052 0.097 0.442 242 T N 0.580 115.151 114.554 0.029 0.000 2.708 242 T HA -0.450 3.927 4.350 0.045 0.000 0.266 242 T C 2.016 176.713 174.700 -0.005 0.000 1.037 242 T CA 5.110 67.232 62.100 0.037 0.000 1.146 242 T CB -0.102 68.813 68.868 0.078 0.000 0.865 242 T HN -0.219 8.040 8.240 0.032 0.000 0.435 243 K N 1.097 121.481 120.400 -0.027 0.000 2.063 243 K HA -0.322 3.977 4.320 -0.035 0.000 0.208 243 K C 2.429 179.002 176.600 -0.044 0.000 1.048 243 K CA 3.442 59.705 56.287 -0.040 0.000 0.928 243 K CB -0.294 32.172 32.500 -0.055 0.000 0.713 243 K HN -0.819 7.409 8.250 -0.037 0.000 0.442 244 I N -1.776 118.768 120.570 -0.043 0.000 2.264 244 I HA -0.409 3.732 4.170 -0.048 0.000 0.248 244 I C 1.647 177.735 176.117 -0.049 0.000 1.111 244 I CA 2.855 64.128 61.300 -0.044 0.000 1.382 244 I CB -0.641 37.336 38.000 -0.037 0.000 1.060 244 I HN -0.769 7.415 8.210 -0.042 0.000 0.418 245 M N 0.281 119.853 119.600 -0.046 0.000 2.123 245 M HA -0.383 4.054 4.480 -0.072 0.000 0.263 245 M C 1.416 177.651 176.300 -0.108 0.000 1.069 245 M CA 4.110 59.368 55.300 -0.069 0.000 1.133 245 M CB -0.235 32.338 32.600 -0.046 0.000 1.356 245 M HN -0.823 7.335 8.290 -0.033 0.111 0.415 246 D N -0.996 119.353 120.400 -0.084 0.000 2.263 246 D HA -0.276 4.290 4.640 -0.123 0.000 0.208 246 D C 2.609 178.856 176.300 -0.089 0.000 0.971 246 D CA 3.356 57.301 54.000 -0.092 0.000 0.867 246 D CB -0.752 40.015 40.800 -0.055 0.000 0.929 246 D HN -0.341 7.993 8.370 -0.061 0.000 0.492 247 K N -1.061 119.295 120.400 -0.075 0.000 2.262 247 K HA -0.041 4.244 4.320 -0.059 0.000 0.200 247 K C 2.007 178.565 176.600 -0.071 0.000 1.049 247 K CA 2.074 58.323 56.287 -0.064 0.000 0.979 247 K CB 0.224 32.693 32.500 -0.053 0.000 0.773 247 K HN -0.694 7.475 8.250 -0.070 0.039 0.474 248 L N -1.960 119.212 121.223 -0.085 0.000 2.209 248 L HA -0.135 4.165 4.340 -0.067 0.000 0.207 248 L C 1.724 178.524 176.870 -0.116 0.000 1.094 248 L CA 2.050 56.839 54.840 -0.085 0.000 0.790 248 L CB 0.291 42.303 42.059 -0.078 0.000 0.932 248 L HN -0.793 7.280 8.230 -0.090 0.103 0.447 249 I N -2.281 118.181 120.570 -0.180 0.000 2.286 249 I HA -0.398 3.610 4.170 -0.270 0.000 0.248 249 I C 1.445 177.479 176.117 -0.139 0.000 1.115 249 I CA 2.660 63.810 61.300 -0.249 0.000 1.392 249 I CB 0.030 37.785 38.000 -0.407 0.000 1.065 249 I HN -0.193 7.904 8.210 -0.188 0.000 0.418 250 R N -0.086 120.351 120.500 -0.104 0.000 2.096 250 R HA -0.269 4.038 4.340 -0.055 0.000 0.240 250 R C 0.552 176.823 176.300 -0.049 0.000 1.139 250 R CA 2.370 58.432 56.100 -0.063 0.000 0.952 250 R CB 0.230 30.497 30.300 -0.054 0.000 0.854 250 R HN -0.472 7.727 8.270 -0.109 0.005 0.436 251 D N 0.000 120.369 120.400 -0.052 0.000 6.856 251 D HA 0.000 4.622 4.640 -0.030 0.000 0.175 251 D CA 0.000 53.977 54.000 -0.038 0.000 0.868 251 D CB 0.000 40.777 40.800 -0.038 0.000 0.688 251 D HN 0.000 8.245 8.370 -0.061 0.088 0.683