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_E DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NXXXXXXXEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIXXXXXXX DATA SEQUENCE XNFLQTDASI NPGNSGGALV NSLGELMGIN TLSFDKXXXX XTPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRD 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 37 F HA 0.000 4.524 4.527 -0.004 0.000 0.279 37 F C 0.000 175.797 175.800 -0.005 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 38 D N 3.127 123.641 120.400 0.189 0.000 2.389 38 D HA -0.012 4.619 4.640 -0.016 0.000 0.263 38 D C -0.016 176.272 176.300 -0.020 0.000 1.255 38 D CA 0.621 54.656 54.000 0.058 0.000 0.914 38 D CB 0.534 41.410 40.800 0.125 0.000 1.116 38 D HN 0.118 8.693 8.370 0.342 0.000 0.502 39 S N 4.881 120.531 115.700 -0.084 0.000 2.614 39 S HA 0.254 4.695 4.470 -0.050 0.000 0.230 39 S C 1.561 176.134 174.600 -0.045 0.000 0.952 39 S CA -0.145 58.014 58.200 -0.068 0.000 0.949 39 S CB 0.467 63.606 63.200 -0.102 0.000 0.786 39 S HN 0.326 8.561 8.310 -0.125 0.000 0.478 40 T N 5.145 119.682 114.554 -0.028 0.000 2.803 40 T HA -0.290 4.045 4.350 -0.024 0.000 0.269 40 T C 0.687 175.377 174.700 -0.016 0.000 1.052 40 T CA 3.717 65.805 62.100 -0.019 0.000 1.136 40 T CB -0.072 68.793 68.868 -0.005 0.000 0.864 40 T HN -0.512 7.852 8.240 -0.021 -0.136 0.467 41 D N -2.281 118.112 120.400 -0.012 0.000 2.360 41 D HA 0.199 4.833 4.640 -0.010 0.000 0.210 41 D C -0.451 175.840 176.300 -0.016 0.000 1.047 41 D CA 0.119 54.113 54.000 -0.010 0.000 0.854 41 D CB 0.526 41.324 40.800 -0.003 0.000 0.936 41 D HN 0.188 8.530 8.370 -0.010 0.022 0.514 42 E N -0.032 120.155 120.200 -0.022 0.000 2.392 42 E HA 0.069 4.406 4.350 -0.023 0.000 0.259 42 E C -0.639 175.943 176.600 -0.032 0.000 1.108 42 E CA 0.323 56.707 56.400 -0.027 0.000 0.916 42 E CB 0.721 30.401 29.700 -0.033 0.000 0.989 42 E HN -0.671 7.557 8.360 -0.024 0.118 0.432 43 T N 3.750 118.283 114.554 -0.034 0.000 2.779 43 T HA 0.274 4.601 4.350 -0.038 0.000 0.280 43 T C -2.003 172.666 174.700 -0.052 0.000 0.987 43 T CA -2.150 59.926 62.100 -0.040 0.000 0.966 43 T CB 0.326 69.172 68.868 -0.037 0.000 0.933 43 T HN 0.058 8.278 8.240 -0.034 0.000 0.442 44 P HA 0.056 4.436 4.420 -0.067 0.000 0.271 44 P C -0.735 176.506 177.300 -0.098 0.000 1.220 44 P CA -0.626 62.432 63.100 -0.070 0.000 0.768 44 P CB 0.291 31.954 31.700 -0.062 0.000 0.848 45 A N 3.459 126.209 122.820 -0.117 0.000 2.561 45 A HA -0.077 4.131 4.320 -0.187 0.000 0.251 45 A C -0.342 177.083 177.584 -0.265 0.000 1.062 45 A CA 0.811 52.735 52.037 -0.188 0.000 0.761 45 A CB 0.155 19.048 19.000 -0.178 0.000 0.986 45 A HN 0.087 8.177 8.150 -0.099 0.000 0.510 46 S N 2.522 118.010 115.700 -0.354 0.000 2.556 46 S HA 0.134 4.398 4.470 -0.345 0.000 0.271 46 S C -1.011 173.325 174.600 -0.440 0.000 1.135 46 S CA -0.236 57.760 58.200 -0.341 0.000 0.858 46 S CB 0.936 64.051 63.200 -0.143 0.000 1.114 46 S HN -0.135 7.967 8.310 -0.347 0.000 0.468 47 Y N 1.719 122.017 120.300 -0.004 0.000 2.696 47 Y HA 0.202 4.750 4.550 -0.004 0.000 0.260 47 Y C -0.047 175.851 175.900 -0.003 0.000 1.165 47 Y CA -0.724 57.374 58.100 -0.003 0.000 1.189 47 Y CB 0.054 38.512 38.460 -0.003 0.000 1.180 47 Y HN 0.200 8.454 8.280 -0.044 0.000 0.538 48 N N 1.542 120.289 118.700 0.078 0.000 2.289 48 N HA -0.334 4.443 4.740 0.062 0.000 0.184 48 N C 1.049 176.587 175.510 0.048 0.000 1.016 48 N CA 3.069 56.150 53.050 0.052 0.000 0.872 48 N CB 0.310 38.807 38.487 0.018 0.000 0.973 48 N HN -0.449 7.878 8.380 0.025 0.068 0.433 49 L N -0.919 120.334 121.223 0.050 0.000 2.046 49 L HA -0.222 4.135 4.340 0.028 0.000 0.208 49 L C 0.874 177.770 176.870 0.044 0.000 1.077 49 L CA 2.688 57.552 54.840 0.040 0.000 0.747 49 L CB -0.336 41.745 42.059 0.037 0.000 0.896 49 L HN -0.233 8.001 8.230 0.052 0.027 0.432 50 A N -1.957 120.903 122.820 0.067 0.000 1.930 50 A HA -0.306 4.032 4.320 0.029 0.000 0.217 50 A C 2.050 179.653 177.584 0.032 0.000 1.175 50 A CA 2.844 54.908 52.037 0.045 0.000 0.627 50 A CB -0.910 18.119 19.000 0.049 0.000 0.815 50 A HN -0.669 7.540 8.150 0.098 0.000 0.443 51 V N -1.337 118.605 119.914 0.045 0.000 2.295 51 V HA -0.604 3.532 4.120 0.027 0.000 0.246 51 V C 2.395 178.504 176.094 0.025 0.000 1.049 51 V CA 4.337 66.657 62.300 0.034 0.000 1.024 51 V CB -0.334 31.515 31.823 0.042 0.000 0.648 51 V HN -0.651 7.577 8.190 0.063 0.000 0.447 52 R N -1.601 118.914 120.500 0.025 0.000 2.189 52 R HA -0.247 4.104 4.340 0.019 0.000 0.223 52 R C 1.981 178.291 176.300 0.016 0.000 1.092 52 R CA 2.989 59.101 56.100 0.020 0.000 0.989 52 R CB -0.277 30.034 30.300 0.018 0.000 0.876 52 R HN -0.395 7.893 8.270 0.029 0.000 0.457 53 R N -2.725 117.784 120.500 0.014 0.000 2.080 53 R HA -0.102 4.243 4.340 0.009 0.000 0.222 53 R C 0.855 177.159 176.300 0.006 0.000 1.107 53 R CA 2.682 58.787 56.100 0.008 0.000 0.980 53 R CB 0.402 30.705 30.300 0.004 0.000 0.879 53 R HN -0.642 7.511 8.270 0.017 0.127 0.439 54 A N -2.930 119.893 122.820 0.005 0.000 1.942 54 A HA 0.144 4.464 4.320 -0.000 0.000 0.209 54 A C 1.370 178.960 177.584 0.010 0.000 1.214 54 A CA 1.377 53.415 52.037 0.002 0.000 0.686 54 A CB 0.396 19.392 19.000 -0.007 0.000 0.871 54 A HN -0.337 7.817 8.150 0.007 0.000 0.460 55 A N 0.067 122.895 122.820 0.013 0.000 1.909 55 A HA -0.248 4.081 4.320 0.015 0.000 0.221 55 A C -1.050 176.546 177.584 0.021 0.000 1.223 55 A CA 4.511 56.558 52.037 0.017 0.000 0.658 55 A CB -2.632 16.379 19.000 0.019 0.000 0.831 55 A HN 0.010 8.168 8.150 0.013 0.000 0.462 56 P HA -0.251 4.188 4.420 0.031 0.000 0.219 56 P C -0.063 177.257 177.300 0.034 0.000 1.146 56 P CA 2.063 65.180 63.100 0.029 0.000 0.808 56 P CB -0.356 31.361 31.700 0.027 0.000 0.779 57 A N -5.267 117.570 122.820 0.029 0.000 2.238 57 A HA 0.121 4.570 4.320 0.038 -0.107 0.208 57 A C -1.376 176.228 177.584 0.033 0.000 1.177 57 A CA -0.474 51.582 52.037 0.032 0.000 0.804 57 A CB 0.421 19.436 19.000 0.025 0.000 0.823 57 A HN -0.536 7.602 8.150 0.023 0.026 0.482 58 V N -1.306 118.626 119.914 0.030 0.000 2.472 58 V HA 0.488 4.783 4.120 0.027 -0.159 0.290 58 V C -0.435 175.678 176.094 0.032 0.000 1.037 58 V CA -0.808 61.508 62.300 0.026 0.000 0.908 58 V CB 1.673 33.505 31.823 0.016 0.000 0.985 58 V HN -0.500 7.542 8.190 0.028 0.166 0.454 59 V N -0.678 119.254 119.914 0.030 0.000 2.914 59 V HA 0.576 4.811 4.120 0.050 -0.085 0.314 59 V C -1.414 174.686 176.094 0.009 0.000 1.084 59 V CA -3.598 58.727 62.300 0.041 0.000 0.963 59 V CB 3.465 35.328 31.823 0.067 0.000 1.025 59 V HN 0.007 8.212 8.190 0.024 0.000 0.432 60 N N 2.657 121.367 118.700 0.018 0.000 2.430 60 N HA 0.197 4.969 4.740 -0.151 -0.122 0.265 60 N C -0.566 174.873 175.510 -0.119 0.000 1.100 60 N CA -0.924 52.074 53.050 -0.088 0.000 0.961 60 N CB 0.297 38.784 38.487 -0.000 0.000 1.075 60 N HN -0.102 8.314 8.380 0.061 0.000 0.478 61 V N 4.033 123.802 119.914 -0.242 0.000 2.427 61 V HA 0.265 4.526 4.120 -0.008 -0.145 0.286 61 V C -1.281 174.616 176.094 -0.329 0.000 1.034 61 V CA -0.489 61.723 62.300 -0.146 0.000 0.893 61 V CB 1.474 33.256 31.823 -0.068 0.000 0.982 61 V HN 0.094 8.017 8.190 -0.265 0.108 0.452 62 Y N 5.926 126.241 120.300 0.024 0.000 2.331 62 Y HA 0.221 4.783 4.550 0.019 0.000 0.334 62 Y C -1.579 174.334 175.900 0.022 0.000 0.960 62 Y CA -1.358 56.754 58.100 0.020 0.000 1.130 62 Y CB 2.714 41.183 38.460 0.016 0.000 1.164 62 Y HN 0.965 9.374 8.280 0.215 0.000 0.458 63 N N 4.257 123.041 118.700 0.141 0.000 2.521 63 N HA 0.214 5.007 4.740 0.088 0.000 0.236 63 N C -1.206 174.363 175.510 0.098 0.000 1.067 63 N CA -1.292 51.816 53.050 0.096 0.000 0.939 63 N CB 0.413 38.937 38.487 0.061 0.000 1.201 63 N HN 0.700 9.150 8.380 0.116 0.000 0.511 64 R N 5.495 126.047 120.500 0.087 0.000 2.500 64 R HA 0.229 4.735 4.340 0.066 -0.126 0.275 64 R C -0.402 175.924 176.300 0.045 0.000 1.051 64 R CA 0.235 56.373 56.100 0.062 0.000 1.088 64 R CB 2.680 33.008 30.300 0.046 0.000 1.063 64 R HN -0.140 8.182 8.270 0.087 0.000 0.511 65 G N 0.213 109.034 108.800 0.036 0.000 3.262 65 G HA2 0.593 4.708 3.960 0.028 0.000 0.229 65 G HA3 0.593 4.570 3.960 0.028 0.000 0.229 65 G C -2.328 172.585 174.900 0.021 0.000 1.280 65 G CA -0.987 44.130 45.100 0.028 0.000 0.951 65 G HN 0.298 8.492 8.290 0.035 0.117 0.589 66 L N -0.993 120.240 121.223 0.018 0.000 2.408 66 L HA 0.297 4.644 4.340 0.012 0.000 0.268 66 L C -0.753 176.124 176.870 0.012 0.000 0.986 66 L CA -0.202 54.646 54.840 0.013 0.000 0.820 66 L CB 1.914 43.980 42.059 0.012 0.000 1.303 66 L HN 0.010 8.251 8.230 0.018 0.000 0.411 76 I N 3.355 123.947 120.570 0.037 0.000 2.662 76 I HA -0.341 3.880 4.170 0.085 0.000 0.285 76 I C 0.357 176.515 176.117 0.069 0.000 1.161 76 I CA 1.695 63.039 61.300 0.072 0.000 1.415 76 I CB -0.076 37.985 38.000 0.102 0.000 1.385 76 I HN 0.047 8.272 8.210 0.025 0.000 0.552 77 R N 9.106 129.648 120.500 0.070 0.000 2.121 77 R HA 0.182 4.551 4.340 0.048 0.000 0.206 77 R C -0.087 176.246 176.300 0.056 0.000 1.094 77 R CA 0.603 56.736 56.100 0.054 0.000 1.055 77 R CB 2.080 32.407 30.300 0.045 0.000 0.964 77 R HN 0.660 8.977 8.270 0.077 0.000 0.473 78 T N -0.194 114.397 114.554 0.063 0.000 2.894 78 T HA 0.341 4.713 4.350 0.037 0.000 0.309 78 T C -2.652 172.067 174.700 0.031 0.000 1.208 78 T CA -0.790 61.336 62.100 0.042 0.000 1.016 78 T CB 2.996 71.884 68.868 0.032 0.000 1.192 78 T HN -0.568 7.716 8.240 0.074 0.000 0.491 79 L N -1.775 119.432 121.223 -0.027 0.000 2.469 79 L HA 0.945 5.306 4.340 -0.159 -0.116 0.256 79 L C -1.532 175.241 176.870 -0.161 0.000 1.006 79 L CA -1.316 53.435 54.840 -0.148 0.000 0.832 79 L CB 3.760 45.670 42.059 -0.247 0.000 1.421 79 L HN 0.074 8.288 8.230 -0.026 0.000 0.410 80 G N -1.242 107.426 108.800 -0.221 0.000 2.677 80 G HA2 0.513 4.507 3.960 -0.144 0.000 0.283 80 G HA3 0.513 4.412 3.960 -0.103 0.000 0.283 80 G C -2.057 172.744 174.900 -0.165 0.000 1.221 80 G CA 0.627 45.636 45.100 -0.152 0.000 0.851 80 G HN 0.363 8.472 8.290 -0.302 0.000 0.504 81 S N -0.591 115.052 115.700 -0.094 0.000 2.667 81 S HA 1.098 5.682 4.470 -0.086 -0.166 0.292 81 S C -0.862 173.721 174.600 -0.028 0.000 1.126 81 S CA -1.792 56.367 58.200 -0.067 0.000 0.881 81 S CB 3.982 67.153 63.200 -0.048 0.000 1.132 81 S HN 0.316 8.585 8.310 -0.068 0.000 0.492 82 G N -1.552 107.243 108.800 -0.008 0.000 2.727 82 G HA2 0.868 5.114 3.960 0.018 0.000 0.289 82 G HA3 0.868 4.840 3.960 0.020 0.000 0.289 82 G C -2.907 172.008 174.900 0.025 0.000 1.418 82 G CA -0.474 44.635 45.100 0.015 0.000 0.818 82 G HN 0.034 8.319 8.290 -0.008 0.000 0.486 83 V N -0.290 119.646 119.914 0.036 0.000 2.524 83 V HA 0.430 4.731 4.120 0.035 -0.161 0.297 83 V C -0.875 175.248 176.094 0.048 0.000 1.035 83 V CA -1.186 61.137 62.300 0.039 0.000 0.867 83 V CB 3.539 35.385 31.823 0.039 0.000 1.004 83 V HN -0.030 8.185 8.190 0.040 0.000 0.426 84 I N 7.742 128.339 120.570 0.045 0.000 2.533 84 I HA -0.192 4.009 4.170 0.051 0.000 0.284 84 I C -0.140 176.007 176.117 0.050 0.000 1.109 84 I CA 1.774 63.102 61.300 0.047 0.000 1.412 84 I CB 0.179 38.202 38.000 0.038 0.000 1.396 84 I HN 0.591 8.826 8.210 0.042 0.000 0.543 85 M N 5.153 124.793 119.600 0.067 0.000 2.657 85 M HA 0.100 4.614 4.480 0.057 0.000 0.262 85 M C -0.235 176.104 176.300 0.064 0.000 1.213 85 M CA -0.702 54.639 55.300 0.068 0.000 1.182 85 M CB 0.677 33.327 32.600 0.083 0.000 1.303 85 M HN 0.178 8.516 8.290 0.081 0.000 0.501 86 D N -5.912 114.534 120.400 0.076 0.000 2.665 86 D HA 0.122 4.790 4.640 0.047 0.000 0.287 86 D C -0.174 176.154 176.300 0.047 0.000 1.266 86 D CA -1.206 52.833 54.000 0.064 0.000 0.830 86 D CB 0.652 41.500 40.800 0.080 0.000 1.356 86 D HN -0.774 7.649 8.370 0.088 0.000 0.437 87 Q N -2.254 117.564 119.800 0.031 0.000 2.439 87 Q HA -0.234 4.102 4.340 -0.007 0.000 0.211 87 Q C 1.310 177.299 176.000 -0.017 0.000 0.978 87 Q CA 2.354 58.159 55.803 0.003 0.000 0.897 87 Q CB -0.299 28.442 28.738 0.005 0.000 0.956 87 Q HN 0.325 8.615 8.270 0.034 0.000 0.483 88 R N -2.572 117.939 120.500 0.018 0.000 2.092 88 R HA -0.275 4.042 4.340 -0.039 0.000 0.231 88 R C 0.966 177.145 176.300 -0.201 0.000 1.119 88 R CA 1.552 57.637 56.100 -0.025 0.000 0.970 88 R CB 0.656 31.058 30.300 0.169 0.000 0.864 88 R HN -0.731 7.688 8.270 0.066 -0.109 0.440 89 G N -4.868 103.831 108.800 -0.167 0.000 2.148 89 G HA2 -0.313 3.548 3.960 -0.165 0.000 0.157 89 G HA3 -0.313 3.458 3.960 -0.315 0.000 0.157 89 G C -0.915 173.819 174.900 -0.277 0.000 1.012 89 G CA -0.467 44.488 45.100 -0.243 0.000 0.677 89 G HN -0.458 7.798 8.290 -0.056 0.000 0.506 90 Y N 0.653 120.937 120.300 -0.027 0.000 2.365 90 Y HA 0.250 5.009 4.550 -0.015 -0.218 0.340 90 Y C -0.833 175.065 175.900 -0.004 0.000 1.016 90 Y CA 0.067 58.159 58.100 -0.014 0.000 1.196 90 Y CB 0.465 38.919 38.460 -0.010 0.000 1.167 90 Y HN -1.008 7.313 8.280 0.068 0.000 0.509 91 I N 2.523 123.174 120.570 0.135 0.000 2.441 91 I HA 0.440 4.842 4.170 0.083 -0.182 0.295 91 I C -0.628 175.541 176.117 0.087 0.000 0.994 91 I CA -1.689 59.664 61.300 0.088 0.000 1.144 91 I CB 3.248 41.282 38.000 0.056 0.000 1.314 91 I HN -0.165 8.123 8.210 0.131 0.000 0.445 92 I N 6.207 126.818 120.570 0.069 0.000 2.385 92 I HA 0.555 4.912 4.170 0.055 -0.154 0.294 92 I C -0.631 175.512 176.117 0.044 0.000 0.988 92 I CA -0.692 60.640 61.300 0.055 0.000 1.265 92 I CB 1.495 39.526 38.000 0.051 0.000 1.388 92 I HN 0.153 8.402 8.210 0.066 0.000 0.480 93 T N 5.246 119.822 114.554 0.037 0.000 2.618 93 T HA 0.383 4.750 4.350 0.028 0.000 0.293 93 T C -2.138 172.579 174.700 0.028 0.000 1.093 93 T CA -2.560 59.557 62.100 0.028 0.000 1.061 93 T CB 1.473 70.354 68.868 0.022 0.000 1.498 93 T HN 0.388 8.649 8.240 0.036 0.000 0.494 94 N N 0.190 118.906 118.700 0.027 0.000 2.430 94 N HA 0.251 5.141 4.740 0.041 -0.125 0.292 94 N C 0.073 175.589 175.510 0.009 0.000 1.051 94 N CA -0.904 52.168 53.050 0.037 0.000 0.917 94 N CB 2.078 40.605 38.487 0.065 0.000 1.164 94 N HN 0.314 8.707 8.380 0.021 0.000 0.484 95 K N 5.115 125.488 120.400 -0.044 0.000 2.002 95 K HA -0.390 3.881 4.320 -0.081 0.000 0.209 95 K C 1.823 178.345 176.600 -0.131 0.000 1.048 95 K CA 3.594 59.803 56.287 -0.130 0.000 0.930 95 K CB 0.151 32.500 32.500 -0.252 0.000 0.714 95 K HN -0.219 8.137 8.250 -0.043 -0.132 0.438 96 H N -2.880 116.197 119.070 0.012 0.000 2.518 96 H HA -0.213 4.348 4.556 0.008 0.000 0.289 96 H C 1.635 176.965 175.328 0.003 0.000 1.051 96 H CA 2.544 58.596 56.048 0.007 0.000 1.280 96 H CB -0.218 29.547 29.762 0.005 0.000 1.380 96 H HN -0.456 8.028 8.280 -0.167 -0.304 0.566 97 V N -2.693 117.276 119.914 0.091 0.000 2.302 97 V HA -0.332 3.816 4.120 0.048 0.000 0.243 97 V C 0.873 176.987 176.094 0.033 0.000 1.036 97 V CA 3.096 65.424 62.300 0.046 0.000 1.020 97 V CB 0.817 32.650 31.823 0.017 0.000 0.657 97 V HN -0.798 7.383 8.190 0.075 0.054 0.453 98 I N -10.218 110.365 120.570 0.022 0.000 3.735 98 I HA -0.067 4.121 4.170 0.029 0.000 0.310 98 I C -0.956 175.171 176.117 0.018 0.000 1.270 98 I CA -1.273 60.040 61.300 0.022 0.000 1.207 98 I CB -0.732 37.280 38.000 0.020 0.000 1.013 98 I HN -0.949 7.270 8.210 0.015 0.000 0.452 99 N N 2.915 121.624 118.700 0.015 0.000 2.454 99 N HA -0.278 4.460 4.740 -0.004 0.000 0.260 99 N C -0.370 175.154 175.510 0.023 0.000 1.218 99 N CA 1.784 54.840 53.050 0.010 0.000 0.904 99 N CB 0.466 38.963 38.487 0.017 0.000 1.065 99 N HN -0.630 7.695 8.380 0.021 0.068 0.462 100 D N 2.199 122.609 120.400 0.017 0.000 2.927 100 D HA -0.332 4.319 4.640 0.017 0.000 0.236 100 D C -2.267 174.048 176.300 0.025 0.000 1.163 100 D CA 1.115 55.127 54.000 0.020 0.000 0.801 100 D CB -0.233 40.581 40.800 0.023 0.000 0.975 100 D HN 0.087 8.464 8.370 0.011 0.000 0.413 101 A N -1.782 121.053 122.820 0.025 0.000 2.354 101 A HA 0.135 4.556 4.320 0.032 -0.081 0.321 101 A C -1.202 176.398 177.584 0.027 0.000 1.125 101 A CA -1.342 50.713 52.037 0.030 0.000 0.799 101 A CB 3.090 22.112 19.000 0.036 0.000 1.293 101 A HN -0.230 7.934 8.150 0.022 0.000 0.452 102 D N -0.905 119.512 120.400 0.029 0.000 2.380 102 D HA 0.102 4.755 4.640 0.022 0.000 0.212 102 D C -0.166 176.150 176.300 0.027 0.000 1.021 102 D CA 1.423 55.438 54.000 0.025 0.000 0.884 102 D CB 1.641 42.454 40.800 0.022 0.000 1.001 102 D HN -0.003 8.386 8.370 0.032 0.000 0.506 103 Q N -0.607 119.213 119.800 0.034 0.000 2.371 103 Q HA 0.218 4.579 4.340 0.036 0.000 0.244 103 Q C -2.400 173.633 176.000 0.054 0.000 0.882 103 Q CA 0.047 55.873 55.803 0.038 0.000 0.866 103 Q CB 2.728 31.485 28.738 0.032 0.000 1.399 103 Q HN -0.809 7.484 8.270 0.038 0.000 0.432 104 I N 7.611 128.215 120.570 0.057 0.000 2.312 104 I HA 0.334 4.714 4.170 0.083 -0.160 0.291 104 I C -1.122 175.050 176.117 0.091 0.000 1.031 104 I CA -0.219 61.125 61.300 0.073 0.000 1.293 104 I CB 0.706 38.742 38.000 0.060 0.000 1.403 104 I HN 0.642 8.881 8.210 0.050 0.000 0.484 105 I N 7.804 128.450 120.570 0.127 0.000 2.441 105 I HA 0.435 4.795 4.170 0.118 -0.119 0.295 105 I C -1.396 174.840 176.117 0.199 0.000 0.994 105 I CA -1.187 60.199 61.300 0.142 0.000 1.144 105 I CB 2.921 40.986 38.000 0.108 0.000 1.314 105 I HN 0.420 8.722 8.210 0.152 0.000 0.445 106 V N 6.081 126.102 119.914 0.179 0.000 2.604 106 V HA 0.725 5.138 4.120 0.188 -0.180 0.305 106 V C -2.149 174.049 176.094 0.173 0.000 1.043 106 V CA -2.219 60.192 62.300 0.185 0.000 0.888 106 V CB 3.771 35.695 31.823 0.169 0.000 0.995 106 V HN 0.228 8.518 8.190 0.167 0.000 0.429 107 A N 5.934 128.859 122.820 0.174 0.000 2.335 107 A HA 0.703 5.189 4.320 0.047 -0.138 0.304 107 A C -1.894 175.749 177.584 0.099 0.000 1.118 107 A CA -1.854 50.252 52.037 0.115 0.000 0.757 107 A CB 2.921 22.019 19.000 0.164 0.000 1.188 107 A HN 0.424 8.683 8.150 0.183 0.000 0.460 108 L N 2.017 123.280 121.223 0.068 0.000 2.454 108 L HA 0.163 4.552 4.340 0.082 0.000 0.256 108 L C 1.976 178.873 176.870 0.045 0.000 1.136 108 L CA -0.647 54.237 54.840 0.073 0.000 0.804 108 L CB 1.285 43.405 42.059 0.101 0.000 1.181 108 L HN -0.171 8.078 8.230 0.031 0.000 0.469 109 Q N 0.572 120.398 119.800 0.044 0.000 2.378 109 Q HA -0.200 4.159 4.340 0.033 0.000 0.205 109 Q C 0.394 176.408 176.000 0.023 0.000 0.954 109 Q CA 1.982 57.805 55.803 0.033 0.000 0.901 109 Q CB -0.351 28.406 28.738 0.032 0.000 0.981 109 Q HN 0.924 9.224 8.270 0.049 0.000 0.483 110 D N -5.498 114.917 120.400 0.024 0.000 2.349 110 D HA -0.059 4.590 4.640 0.015 0.000 0.224 110 D C 0.625 176.923 176.300 -0.004 0.000 1.029 110 D CA -0.351 53.658 54.000 0.016 0.000 0.879 110 D CB -0.722 40.095 40.800 0.029 0.000 0.906 110 D HN -0.524 7.833 8.370 0.034 0.034 0.528 111 G N -1.097 107.692 108.800 -0.018 0.000 2.259 111 G HA2 -0.430 3.508 3.960 -0.037 0.000 0.217 111 G HA3 -0.430 3.506 3.960 -0.041 0.000 0.217 111 G C -0.032 174.807 174.900 -0.102 0.000 1.001 111 G CA -0.387 44.686 45.100 -0.045 0.000 0.627 111 G HN -0.672 7.553 8.290 -0.009 0.059 0.501 112 R N 1.693 122.110 120.500 -0.138 0.000 2.679 112 R HA -0.078 4.063 4.340 -0.332 0.000 0.268 112 R C -0.980 175.056 176.300 -0.440 0.000 1.044 112 R CA 1.105 57.002 56.100 -0.337 0.000 1.105 112 R CB 0.938 31.014 30.300 -0.374 0.000 0.989 112 R HN -0.444 7.973 8.270 -0.088 -0.199 0.447 113 V N 1.821 121.359 119.914 -0.626 0.000 2.525 113 V HA 0.532 4.619 4.120 -0.314 -0.155 0.299 113 V C -0.339 175.410 176.094 -0.575 0.000 1.034 113 V CA -0.886 61.148 62.300 -0.443 0.000 0.863 113 V CB 1.909 33.601 31.823 -0.218 0.000 0.999 113 V HN 0.205 7.989 8.190 -0.676 0.000 0.423 114 F N 6.860 126.818 119.950 0.013 0.000 2.579 114 F HA 0.391 4.918 4.527 -0.000 0.000 0.324 114 F C -1.220 174.586 175.800 0.011 0.000 1.058 114 F CA -1.742 56.262 58.000 0.005 0.000 0.944 114 F CB 3.989 42.988 39.000 -0.002 0.000 1.245 114 F HN 0.411 8.703 8.300 -0.014 0.000 0.477 115 E N 0.875 121.201 120.200 0.209 0.000 2.227 115 E HA 0.290 4.816 4.350 0.110 -0.110 0.282 115 E C -1.027 175.633 176.600 0.100 0.000 1.015 115 E CA -0.995 55.477 56.400 0.121 0.000 0.823 115 E CB 1.776 31.522 29.700 0.077 0.000 1.081 115 E HN 0.257 8.749 8.360 0.220 0.000 0.396 116 A N 6.135 129.003 122.820 0.081 0.000 2.306 116 A HA 0.645 5.144 4.320 0.027 -0.163 0.330 116 A C -1.645 175.958 177.584 0.032 0.000 1.146 116 A CA -1.660 50.405 52.037 0.047 0.000 0.827 116 A CB 2.480 21.514 19.000 0.056 0.000 1.178 116 A HN 0.494 8.695 8.150 0.085 0.000 0.490 117 L N -0.044 121.186 121.223 0.013 0.000 2.322 117 L HA 0.334 4.687 4.340 0.022 0.000 0.281 117 L C -0.761 176.126 176.870 0.027 0.000 1.014 117 L CA -1.528 53.322 54.840 0.017 0.000 0.815 117 L CB 1.755 43.818 42.059 0.005 0.000 1.247 117 L HN -0.237 7.991 8.230 -0.004 0.000 0.421 118 L N 4.409 125.650 121.223 0.030 0.000 2.500 118 L HA -0.076 4.286 4.340 0.038 0.000 0.272 118 L C -0.133 176.762 176.870 0.042 0.000 1.149 118 L CA 0.828 55.689 54.840 0.034 0.000 0.897 118 L CB -0.121 41.953 42.059 0.025 0.000 1.178 118 L HN 0.275 8.521 8.230 0.027 0.000 0.473 119 V N 6.057 126.008 119.914 0.061 0.000 2.878 119 V HA 0.049 4.214 4.120 0.074 0.000 0.250 119 V C -0.213 175.906 176.094 0.041 0.000 1.075 119 V CA 1.059 63.405 62.300 0.076 0.000 1.096 119 V CB 0.462 32.372 31.823 0.144 0.000 0.724 119 V HN 0.449 8.679 8.190 0.067 0.000 0.467 120 G N -3.333 105.483 108.800 0.028 0.000 2.337 120 G HA2 -0.005 3.958 3.960 0.005 0.000 0.310 120 G HA3 -0.005 3.957 3.960 0.004 0.000 0.310 120 G C -3.397 171.502 174.900 -0.001 0.000 1.534 120 G CA -0.537 44.567 45.100 0.008 0.000 0.982 120 G HN -0.870 7.439 8.290 0.032 0.000 0.672 121 S N -1.113 114.579 115.700 -0.014 0.000 2.599 121 S HA 0.614 5.174 4.470 -0.023 -0.104 0.287 121 S C -1.780 172.800 174.600 -0.034 0.000 1.105 121 S CA -1.643 56.541 58.200 -0.027 0.000 0.899 121 S CB 3.409 66.584 63.200 -0.042 0.000 1.100 121 S HN -0.078 8.223 8.310 -0.016 0.000 0.482 122 D N 1.117 121.493 120.400 -0.040 0.000 2.441 122 D HA 0.371 4.989 4.640 -0.036 0.000 0.231 122 D C 0.484 176.754 176.300 -0.050 0.000 1.073 122 D CA -1.782 52.195 54.000 -0.040 0.000 0.850 122 D CB 1.520 42.299 40.800 -0.036 0.000 1.062 122 D HN 0.078 8.424 8.370 -0.040 0.000 0.524 123 S N 5.992 121.663 115.700 -0.049 0.000 2.399 123 S HA -0.310 4.109 4.470 -0.085 0.000 0.231 123 S C 0.977 175.561 174.600 -0.026 0.000 1.022 123 S CA 2.528 60.697 58.200 -0.052 0.000 0.983 123 S CB 0.067 63.245 63.200 -0.035 0.000 0.803 123 S HN 0.368 8.653 8.310 -0.042 0.000 0.480 124 L N 0.856 122.065 121.223 -0.023 0.000 2.013 124 L HA -0.192 4.142 4.340 -0.011 0.000 0.212 124 L C 1.154 178.017 176.870 -0.011 0.000 1.073 124 L CA 2.229 57.058 54.840 -0.018 0.000 0.753 124 L CB 0.342 42.383 42.059 -0.030 0.000 0.890 124 L HN -0.428 7.916 8.230 -0.028 -0.131 0.432 125 T N -7.756 106.787 114.554 -0.017 0.000 3.044 125 T HA -0.039 4.309 4.350 -0.003 0.000 0.260 125 T C -0.285 174.441 174.700 0.043 0.000 1.019 125 T CA -0.795 61.302 62.100 -0.006 0.000 0.921 125 T CB 1.850 70.690 68.868 -0.047 0.000 1.053 125 T HN -0.720 7.614 8.240 -0.024 -0.109 0.533 126 D N 0.320 120.729 120.400 0.014 0.000 2.873 126 D HA -0.262 4.319 4.640 -0.099 0.000 0.228 126 D C -1.721 174.583 176.300 0.006 0.000 1.122 126 D CA 1.391 55.391 54.000 -0.001 0.000 0.758 126 D CB -0.931 39.951 40.800 0.137 0.000 1.094 126 D HN -0.244 8.118 8.370 -0.013 0.000 0.434 127 L N -2.903 118.314 121.223 -0.011 0.000 2.341 127 L HA 0.569 5.046 4.340 0.015 -0.129 0.267 127 L C -2.290 174.571 176.870 -0.016 0.000 1.009 127 L CA -1.136 53.704 54.840 0.001 0.000 0.819 127 L CB 4.085 46.149 42.059 0.009 0.000 1.323 127 L HN -0.870 7.347 8.230 -0.021 0.000 0.425 128 A N -0.385 122.434 122.820 -0.002 0.000 2.527 128 A HA 0.854 5.288 4.320 -0.006 -0.117 0.293 128 A C -2.297 175.300 177.584 0.022 0.000 1.117 128 A CA -1.729 50.309 52.037 0.001 0.000 0.723 128 A CB 4.005 23.003 19.000 -0.005 0.000 1.313 128 A HN 0.279 8.435 8.150 0.009 0.000 0.411 129 V N -0.742 119.192 119.914 0.034 0.000 2.588 129 V HA 0.863 5.219 4.120 0.071 -0.194 0.304 129 V C -1.215 174.935 176.094 0.093 0.000 1.042 129 V CA -1.660 60.681 62.300 0.068 0.000 0.877 129 V CB 2.564 34.425 31.823 0.064 0.000 0.996 129 V HN 0.001 8.209 8.190 0.029 0.000 0.425 130 L N 4.635 125.920 121.223 0.103 0.000 2.299 130 L HA 0.886 5.421 4.340 0.071 -0.153 0.268 130 L C -0.763 176.145 176.870 0.064 0.000 1.012 130 L CA -2.269 52.617 54.840 0.076 0.000 0.816 130 L CB 2.873 44.961 42.059 0.048 0.000 1.355 130 L HN 0.594 8.886 8.230 0.104 0.000 0.457 131 K N -0.235 120.144 120.400 -0.034 0.000 2.565 131 K HA 0.556 4.930 4.320 -0.305 -0.237 0.251 131 K C -1.637 174.860 176.600 -0.173 0.000 0.956 131 K CA -0.681 55.481 56.287 -0.207 0.000 0.809 131 K CB 2.819 35.154 32.500 -0.275 0.000 1.267 131 K HN -0.148 8.091 8.250 -0.019 0.000 0.438 132 I N 2.152 122.583 120.570 -0.231 0.000 2.493 132 I HA 0.738 4.819 4.170 -0.149 0.000 0.298 132 I C -0.190 175.732 176.117 -0.324 0.000 0.998 132 I CA -2.357 58.801 61.300 -0.237 0.000 1.137 132 I CB 2.779 40.615 38.000 -0.274 0.000 1.310 132 I HN -0.196 7.847 8.210 -0.277 0.000 0.445 133 N N 5.808 124.351 118.700 -0.262 0.000 2.272 133 N HA -0.331 4.299 4.740 -0.184 0.000 0.185 133 N C 0.093 175.425 175.510 -0.297 0.000 1.014 133 N CA 0.946 53.866 53.050 -0.217 0.000 0.870 133 N CB -0.614 37.812 38.487 -0.101 0.000 0.975 133 N HN 0.404 8.671 8.380 -0.189 0.000 0.433 134 A N -0.357 122.122 122.820 -0.567 0.000 2.584 134 A HA -0.133 3.968 4.320 -0.365 0.000 0.239 134 A C -0.337 177.064 177.584 -0.305 0.000 1.043 134 A CA 0.989 52.693 52.037 -0.555 0.000 0.756 134 A CB 0.148 18.473 19.000 -1.125 0.000 0.963 134 A HN -0.290 7.334 8.150 -0.824 0.031 0.511 135 T N 0.670 115.122 114.554 -0.170 0.000 2.969 135 T HA 0.220 4.496 4.350 -0.124 0.000 0.258 135 T C 2.019 176.681 174.700 -0.063 0.000 0.962 135 T CA -0.079 61.955 62.100 -0.109 0.000 0.903 135 T CB 0.698 69.519 68.868 -0.078 0.000 1.177 135 T HN -0.042 8.118 8.240 -0.133 0.000 0.511 136 G N 1.766 110.540 108.800 -0.043 0.000 3.471 136 G HA2 0.026 3.981 3.960 -0.008 0.000 0.254 136 G HA3 0.026 3.991 3.960 0.009 0.000 0.254 136 G C -0.369 174.533 174.900 0.004 0.000 1.199 136 G CA -0.975 44.121 45.100 -0.007 0.000 1.683 136 G HN -0.142 8.119 8.290 -0.049 0.000 0.625 137 G N 0.558 109.351 108.800 -0.011 0.000 3.402 137 G HA2 -0.279 3.811 3.960 -0.003 0.000 0.686 137 G HA3 -0.279 3.688 3.960 0.012 0.000 0.686 137 G C -1.769 173.137 174.900 0.010 0.000 0.983 137 G CA -0.510 44.591 45.100 0.002 0.000 0.821 137 G HN -0.584 7.605 8.290 -0.027 0.085 0.500 138 L N 3.945 125.168 121.223 0.001 0.000 2.381 138 L HA 0.407 4.770 4.340 0.037 0.000 0.268 138 L C -2.189 174.694 176.870 0.022 0.000 0.997 138 L CA -3.417 51.431 54.840 0.014 0.000 0.818 138 L CB 2.384 44.432 42.059 -0.019 0.000 1.310 138 L HN -0.441 8.045 8.230 -0.005 -0.259 0.416 139 P HA 0.048 4.483 4.420 0.026 0.000 0.267 139 P C -1.357 175.959 177.300 0.027 0.000 1.209 139 P CA -0.323 62.795 63.100 0.030 0.000 0.763 139 P CB 0.101 31.823 31.700 0.037 0.000 0.816 140 T N -0.456 114.110 114.554 0.021 0.000 2.925 140 T HA 0.064 4.430 4.350 0.026 0.000 0.285 140 T C 0.012 174.723 174.700 0.017 0.000 1.021 140 T CA -2.403 59.710 62.100 0.022 0.000 1.042 140 T CB 2.432 71.313 68.868 0.021 0.000 1.037 140 T HN -0.214 8.038 8.240 0.019 0.000 0.481 141 I N 2.415 122.995 120.570 0.017 0.000 2.496 141 I HA 0.184 4.357 4.170 0.004 0.000 0.285 141 I C -2.115 173.997 176.117 -0.008 0.000 1.080 141 I CA -2.956 58.348 61.300 0.006 0.000 1.404 141 I CB 1.419 39.425 38.000 0.009 0.000 1.403 141 I HN -0.301 7.923 8.210 0.023 0.000 0.539 142 P HA 0.012 4.417 4.420 -0.026 0.000 0.262 142 P C -1.808 175.448 177.300 -0.073 0.000 1.199 142 P CA 0.022 63.100 63.100 -0.038 0.000 0.763 142 P CB 0.236 31.911 31.700 -0.040 0.000 0.790 143 I N 3.162 123.692 120.570 -0.066 0.000 2.447 143 I HA 0.147 4.198 4.170 -0.199 0.000 0.287 143 I C -1.360 174.700 176.117 -0.095 0.000 1.023 143 I CA -0.670 60.567 61.300 -0.105 0.000 1.083 143 I CB 2.956 40.950 38.000 -0.011 0.000 1.245 143 I HN -0.063 8.123 8.210 -0.040 0.000 0.434 144 N N 7.334 125.919 118.700 -0.191 0.000 2.501 144 N HA 0.119 4.837 4.740 -0.037 0.000 0.245 144 N C -0.027 175.484 175.510 0.002 0.000 0.974 144 N CA -1.290 51.702 53.050 -0.096 0.000 0.941 144 N CB 0.695 39.116 38.487 -0.110 0.000 1.122 144 N HN 0.217 8.393 8.380 -0.339 0.000 0.507 145 A N 6.164 129.057 122.820 0.122 0.000 1.969 145 A HA -0.218 4.376 4.320 0.458 0.000 0.218 145 A C 0.403 178.127 177.584 0.234 0.000 1.169 145 A CA 2.024 54.213 52.037 0.254 0.000 0.635 145 A CB 0.096 19.181 19.000 0.142 0.000 0.810 145 A HN 0.724 8.923 8.150 0.081 0.000 0.445 146 R N -1.964 118.620 120.500 0.139 0.000 2.427 146 R HA 0.198 4.601 4.340 0.105 0.000 0.262 146 R C -0.523 175.843 176.300 0.111 0.000 0.943 146 R CA -0.913 55.252 56.100 0.107 0.000 1.081 146 R CB -0.296 30.042 30.300 0.063 0.000 1.166 146 R HN -0.581 7.939 8.270 0.102 -0.189 0.534 147 R N 0.891 121.476 120.500 0.143 0.000 2.308 147 R HA -0.031 4.355 4.340 0.076 0.000 0.305 147 R C -0.930 175.464 176.300 0.156 0.000 1.053 147 R CA -0.188 55.972 56.100 0.100 0.000 0.957 147 R CB 0.337 30.634 30.300 -0.005 0.000 1.022 147 R HN -0.699 7.673 8.270 0.174 0.002 0.461 148 V N 6.622 126.569 119.914 0.054 0.000 2.334 148 V HA 0.280 4.414 4.120 0.024 0.000 0.281 148 V C -1.561 174.390 176.094 -0.239 0.000 1.016 148 V CA -3.192 59.073 62.300 -0.059 0.000 0.832 148 V CB 0.989 32.733 31.823 -0.131 0.000 0.999 148 V HN 0.112 8.330 8.190 0.047 0.000 0.439 149 P HA -0.020 4.383 4.420 -0.029 0.000 0.262 149 P C -1.639 175.506 177.300 -0.258 0.000 1.182 149 P CA -0.071 62.974 63.100 -0.091 0.000 0.761 149 P CB 0.326 32.044 31.700 0.029 0.000 0.795 150 H N 2.565 121.660 119.070 0.043 0.000 2.621 150 H HA 0.232 4.809 4.556 0.034 0.000 0.360 150 H C -0.183 175.161 175.328 0.026 0.000 1.163 150 H CA -1.352 54.715 56.048 0.032 0.000 1.194 150 H CB 3.592 33.369 29.762 0.025 0.000 1.649 150 H HN -0.159 8.436 8.280 0.102 -0.254 0.532 151 I N 1.087 121.750 120.570 0.155 0.000 2.598 151 I HA -0.581 3.746 4.170 0.072 -0.113 0.284 151 I C 1.229 177.392 176.117 0.076 0.000 1.140 151 I CA 2.042 63.396 61.300 0.090 0.000 1.420 151 I CB -0.561 37.481 38.000 0.070 0.000 1.387 151 I HN 0.570 8.881 8.210 0.168 0.000 0.553 152 G N 6.823 115.653 108.800 0.050 0.000 2.195 152 G HA2 -0.369 3.604 3.960 0.021 0.000 0.224 152 G HA3 -0.369 3.610 3.960 0.032 0.000 0.224 152 G C -0.204 174.714 174.900 0.031 0.000 0.990 152 G CA -0.493 44.626 45.100 0.033 0.000 0.639 152 G HN 0.406 8.721 8.290 0.043 0.000 0.514 153 D N 2.673 123.101 120.400 0.047 0.000 2.423 153 D HA -0.065 4.596 4.640 0.036 0.000 0.238 153 D C -0.429 175.863 176.300 -0.013 0.000 1.142 153 D CA 1.410 55.430 54.000 0.033 0.000 0.884 153 D CB 0.907 41.738 40.800 0.052 0.000 1.199 153 D HN -0.545 7.811 8.370 0.066 0.054 0.438 154 V N 1.102 120.990 119.914 -0.044 0.000 2.530 154 V HA 0.009 4.211 4.120 -0.118 -0.153 0.282 154 V C -0.264 175.732 176.094 -0.163 0.000 1.048 154 V CA 0.272 62.493 62.300 -0.131 0.000 0.997 154 V CB 0.326 32.026 31.823 -0.204 0.000 0.987 154 V HN 0.117 8.290 8.190 -0.027 0.000 0.477 155 V N 0.882 120.693 119.914 -0.170 0.000 2.876 155 V HA 1.001 5.219 4.120 -0.139 -0.181 0.312 155 V C -1.636 174.362 176.094 -0.160 0.000 1.085 155 V CA -3.209 59.008 62.300 -0.139 0.000 0.945 155 V CB 3.916 35.697 31.823 -0.071 0.000 1.017 155 V HN -0.054 8.037 8.190 -0.166 0.000 0.428 156 L N 1.258 122.404 121.223 -0.128 0.000 2.325 156 L HA 0.827 5.305 4.340 -0.104 -0.201 0.281 156 L C -0.816 176.022 176.870 -0.054 0.000 1.004 156 L CA -1.993 52.788 54.840 -0.098 0.000 0.823 156 L CB 2.264 44.270 42.059 -0.088 0.000 1.236 156 L HN 0.400 8.564 8.230 -0.110 0.000 0.415 157 A N 4.238 127.033 122.820 -0.042 0.000 2.366 157 A HA 0.636 5.104 4.320 -0.023 -0.161 0.272 157 A C -1.181 176.392 177.584 -0.018 0.000 1.135 157 A CA -1.351 50.670 52.037 -0.027 0.000 0.804 157 A CB 1.472 20.454 19.000 -0.029 0.000 1.064 157 A HN 0.748 8.871 8.150 -0.045 0.000 0.499 158 I N 2.757 123.320 120.570 -0.013 0.000 2.447 158 I HA 0.798 5.156 4.170 -0.006 -0.191 0.287 158 I C -0.613 175.498 176.117 -0.010 0.000 1.023 158 I CA -1.485 59.811 61.300 -0.007 0.000 1.083 158 I CB 1.984 39.983 38.000 -0.002 0.000 1.245 158 I HN 0.081 8.284 8.210 -0.011 0.000 0.434 159 G N 5.215 114.006 108.800 -0.015 0.000 2.428 159 G HA2 0.218 4.161 3.960 -0.027 0.000 0.305 159 G HA3 0.218 4.155 3.960 -0.037 0.000 0.305 159 G C -3.305 171.576 174.900 -0.033 0.000 1.260 159 G CA 0.733 45.815 45.100 -0.029 0.000 0.853 159 G HN -0.283 8.001 8.290 -0.010 0.000 0.480 160 N N 0.706 119.371 118.700 -0.058 0.000 2.765 160 N HA 0.736 5.624 4.740 -0.024 -0.163 0.277 160 N C -2.271 173.191 175.510 -0.080 0.000 1.750 160 N CA -3.534 49.484 53.050 -0.054 0.000 0.827 160 N CB 1.851 40.294 38.487 -0.075 0.000 1.200 160 N HN -0.214 8.121 8.380 -0.075 0.000 0.494 161 P HA 0.031 4.419 4.420 -0.330 -0.166 0.267 161 P C -0.144 177.113 177.300 -0.072 0.000 1.205 161 P CA 0.351 63.334 63.100 -0.194 0.000 0.765 161 P CB -0.132 31.505 31.700 -0.104 0.000 0.828 162 Y N -0.262 120.036 120.300 -0.004 0.000 4.236 162 Y HA -0.577 3.976 4.550 0.006 0.000 0.220 162 Y C -0.866 175.045 175.900 0.018 0.000 1.115 162 Y CA 0.843 58.947 58.100 0.006 0.000 1.811 162 Y CB -2.717 35.747 38.460 0.006 0.000 1.581 162 Y HN 0.122 8.073 8.280 -0.547 0.000 0.643 163 N N -3.163 115.593 118.700 0.095 0.000 2.708 163 N HA -0.358 4.574 4.740 0.069 -0.150 0.249 163 N C 0.443 176.021 175.510 0.113 0.000 1.097 163 N CA 1.028 54.138 53.050 0.101 0.000 0.710 163 N CB -0.762 37.809 38.487 0.139 0.000 1.032 163 N HN -0.435 7.918 8.380 0.024 0.041 0.551 164 L N -2.658 118.631 121.223 0.110 0.000 2.376 164 L HA -0.140 4.254 4.340 0.090 0.000 0.219 164 L C 1.037 177.950 176.870 0.071 0.000 1.133 164 L CA 1.226 56.122 54.840 0.094 0.000 0.816 164 L CB 0.244 42.365 42.059 0.102 0.000 0.933 164 L HN -0.249 8.032 8.230 0.114 0.018 0.449 165 G N -3.409 105.431 108.800 0.068 0.000 2.479 165 G HA2 -0.260 3.741 3.960 0.068 0.000 0.686 165 G HA3 -0.260 3.733 3.960 0.054 0.000 0.686 165 G C -2.056 172.868 174.900 0.040 0.000 1.295 165 G CA -0.970 44.164 45.100 0.058 0.000 0.922 165 G HN -0.579 8.018 8.290 0.068 -0.266 0.582 166 Q N 1.680 121.500 119.800 0.034 0.000 2.244 166 Q HA -0.053 4.501 4.340 0.015 -0.205 0.278 166 Q C -0.209 175.805 176.000 0.023 0.000 1.093 166 Q CA 1.118 56.934 55.803 0.023 0.000 0.916 166 Q CB 0.252 29.004 28.738 0.024 0.000 1.159 166 Q HN 0.334 8.627 8.270 0.038 0.000 0.384 167 T N 9.103 123.667 114.554 0.017 0.000 2.888 167 T HA 0.217 4.582 4.350 0.025 0.000 0.284 167 T C -1.846 172.862 174.700 0.013 0.000 1.017 167 T CA -0.793 61.319 62.100 0.020 0.000 1.022 167 T CB 1.722 70.605 68.868 0.024 0.000 1.013 167 T HN 0.442 8.687 8.240 0.010 0.000 0.465 168 I N 3.068 123.648 120.570 0.017 0.000 2.406 168 I HA 0.728 5.100 4.170 0.006 -0.199 0.290 168 I C -0.183 175.941 176.117 0.013 0.000 0.999 168 I CA -2.208 59.100 61.300 0.013 0.000 1.124 168 I CB 1.380 39.394 38.000 0.023 0.000 1.289 168 I HN 0.278 8.502 8.210 0.022 0.000 0.441 169 T N 5.448 120.001 114.554 -0.001 0.000 2.893 169 T HA 0.384 4.739 4.350 0.007 0.000 0.291 169 T C -2.222 172.462 174.700 -0.027 0.000 1.028 169 T CA -1.791 60.306 62.100 -0.004 0.000 0.995 169 T CB 2.623 71.487 68.868 -0.007 0.000 1.051 169 T HN 0.516 8.751 8.240 -0.009 0.000 0.470 170 Q N 3.493 123.276 119.800 -0.028 0.000 2.342 170 Q HA 0.776 5.226 4.340 -0.108 -0.175 0.267 170 Q C -0.749 175.213 176.000 -0.063 0.000 1.038 170 Q CA -1.163 54.596 55.803 -0.073 0.000 0.832 170 Q CB 3.918 32.615 28.738 -0.070 0.000 1.323 170 Q HN 0.277 8.541 8.270 -0.009 0.000 0.448 171 G N 3.798 112.545 108.800 -0.090 0.000 2.793 171 G HA2 0.721 4.652 3.960 -0.049 0.000 0.248 171 G HA3 0.721 4.818 3.960 -0.058 -0.172 0.248 171 G C -2.583 172.272 174.900 -0.075 0.000 1.198 171 G CA 0.235 45.296 45.100 -0.065 0.000 0.865 171 G HN 0.501 8.720 8.290 -0.119 0.000 0.534 172 I N -5.590 114.949 120.570 -0.052 0.000 3.095 172 I HA 0.906 5.212 4.170 -0.050 -0.165 0.310 172 I C -0.779 175.323 176.117 -0.024 0.000 1.196 172 I CA -2.260 59.017 61.300 -0.039 0.000 0.985 172 I CB 4.519 42.507 38.000 -0.021 0.000 1.250 172 I HN 0.307 8.775 8.210 -0.047 -0.286 0.446 173 I N 2.103 122.670 120.570 -0.004 0.000 2.581 173 I HA -0.093 4.229 4.170 0.013 -0.144 0.285 173 I C 0.507 176.634 176.117 0.017 0.000 1.129 173 I CA 1.168 62.477 61.300 0.015 0.000 1.397 173 I CB -0.900 37.122 38.000 0.036 0.000 1.399 173 I HN -0.041 8.168 8.210 -0.002 0.000 0.537 174 S N 9.751 125.457 115.700 0.010 0.000 2.470 174 S HA 0.053 4.525 4.470 0.004 0.000 0.222 174 S C -0.917 173.700 174.600 0.028 0.000 1.024 174 S CA 1.398 59.601 58.200 0.006 0.000 0.931 174 S CB 0.669 63.857 63.200 -0.021 0.000 0.791 174 S HN 0.838 9.036 8.310 0.006 0.116 0.513 175 A N -1.129 121.722 122.820 0.052 0.000 2.586 175 A HA 0.341 4.695 4.320 0.056 0.000 0.291 175 A C -2.761 174.875 177.584 0.087 0.000 1.062 175 A CA 0.036 52.114 52.037 0.068 0.000 0.666 175 A CB 1.945 20.991 19.000 0.076 0.000 1.281 175 A HN -0.790 7.394 8.150 0.057 0.000 0.421 176 T N -2.742 111.858 114.554 0.076 0.000 2.916 176 T HA 0.255 4.662 4.350 0.095 0.000 0.292 176 T C -0.013 174.728 174.700 0.067 0.000 1.064 176 T CA -2.094 60.050 62.100 0.073 0.000 1.011 176 T CB 1.942 70.835 68.868 0.040 0.000 1.152 176 T HN -0.027 8.251 8.240 0.064 0.000 0.510 177 G N -0.099 108.734 108.800 0.055 0.000 2.371 177 G HA2 -0.333 3.716 3.960 0.007 0.000 0.299 177 G HA3 -0.333 3.635 3.960 0.014 0.000 0.299 177 G C -0.717 174.216 174.900 0.055 0.000 1.014 177 G CA 0.439 45.556 45.100 0.030 0.000 1.097 177 G HN 0.277 8.599 8.290 0.052 0.000 0.512 178 R N -0.722 119.846 120.500 0.114 0.000 2.428 178 R HA 0.318 4.710 4.340 0.086 0.000 0.294 178 R C 0.140 176.525 176.300 0.142 0.000 1.000 178 R CA -1.316 54.860 56.100 0.127 0.000 0.960 178 R CB 1.606 32.012 30.300 0.177 0.000 1.076 178 R HN -0.442 7.983 8.270 0.155 -0.062 0.475 189 F N 0.645 120.587 119.950 -0.014 0.000 2.458 189 F HA 0.461 5.131 4.527 0.039 -0.120 0.336 189 F C -0.312 175.546 175.800 0.095 0.000 1.114 189 F CA -1.567 56.450 58.000 0.029 0.000 0.987 189 F CB 1.732 40.702 39.000 -0.051 0.000 1.130 189 F HN -0.552 7.903 8.300 0.099 -0.096 0.458 190 L N 2.364 123.802 121.223 0.360 0.000 2.395 190 L HA 0.189 4.787 4.340 0.205 -0.135 0.269 190 L C -0.958 176.099 176.870 0.312 0.000 1.133 190 L CA -0.500 54.494 54.840 0.256 0.000 0.812 190 L CB 1.247 43.414 42.059 0.180 0.000 1.125 190 L HN 0.568 9.020 8.230 0.371 0.000 0.452 191 Q N 2.566 122.487 119.800 0.202 0.000 2.353 191 Q HA 0.803 5.361 4.340 0.039 -0.194 0.268 191 Q C -1.356 174.634 176.000 -0.016 0.000 1.045 191 Q CA -1.562 54.295 55.803 0.089 0.000 0.811 191 Q CB 3.858 32.668 28.738 0.120 0.000 1.305 191 Q HN -0.011 8.354 8.270 0.159 0.000 0.447 192 T N 5.607 120.096 114.554 -0.109 0.000 2.933 192 T HA 0.786 5.283 4.350 -0.058 -0.182 0.305 192 T C -1.372 173.255 174.700 -0.122 0.000 1.092 192 T CA -2.832 59.217 62.100 -0.084 0.000 1.008 192 T CB 1.712 70.547 68.868 -0.054 0.000 1.102 192 T HN 0.532 8.654 8.240 -0.196 0.000 0.469 193 D N 6.015 126.362 120.400 -0.087 0.000 2.342 193 D HA 0.166 4.816 4.640 -0.103 -0.071 0.221 193 D C -0.016 176.245 176.300 -0.064 0.000 1.101 193 D CA -1.648 52.303 54.000 -0.082 0.000 0.837 193 D CB -0.529 40.233 40.800 -0.062 0.000 0.938 193 D HN -0.005 8.324 8.370 -0.069 0.000 0.508 194 A N 1.055 123.836 122.820 -0.064 0.000 2.520 194 A HA -0.143 4.296 4.320 -0.046 -0.146 0.245 194 A C -0.638 176.915 177.584 -0.052 0.000 1.072 194 A CA 0.860 52.865 52.037 -0.054 0.000 0.761 194 A CB 0.568 19.535 19.000 -0.056 0.000 1.004 194 A HN -0.709 7.344 8.150 -0.067 0.057 0.499 195 S N 0.972 116.651 115.700 -0.035 0.000 2.525 195 S HA -0.049 4.401 4.470 -0.033 0.000 0.285 195 S C -0.942 173.637 174.600 -0.034 0.000 1.283 195 S CA 0.912 59.096 58.200 -0.027 0.000 1.072 195 S CB 0.190 63.387 63.200 -0.005 0.000 0.867 195 S HN 0.094 8.388 8.310 -0.027 0.000 0.492 196 I N 5.899 126.443 120.570 -0.044 0.000 2.466 196 I HA 0.258 4.535 4.170 -0.057 -0.141 0.289 196 I C -1.274 174.805 176.117 -0.064 0.000 1.026 196 I CA -1.541 59.725 61.300 -0.058 0.000 1.078 196 I CB 1.730 39.688 38.000 -0.070 0.000 1.249 196 I HN 0.390 8.574 8.210 -0.044 0.000 0.429 197 N N 7.100 125.735 118.700 -0.109 0.000 2.469 197 N HA 0.523 5.187 4.740 -0.126 0.000 0.286 197 N C -3.192 172.142 175.510 -0.293 0.000 1.275 197 N CA -2.323 50.610 53.050 -0.196 0.000 0.790 197 N CB 2.548 40.871 38.487 -0.272 0.000 1.446 197 N HN 0.439 9.073 8.380 -0.118 -0.325 0.501 198 P HA -0.077 4.224 4.420 -0.197 0.000 0.258 198 P C -0.606 176.468 177.300 -0.376 0.000 1.187 198 P CA 1.195 64.110 63.100 -0.308 0.000 0.767 198 P CB 0.151 31.697 31.700 -0.257 0.000 0.770 199 G N 3.561 112.226 108.800 -0.224 0.000 2.421 199 G HA2 -0.299 3.563 3.960 -0.163 0.000 0.188 199 G HA3 -0.299 3.658 3.960 -0.228 -0.134 0.188 199 G C 0.755 175.571 174.900 -0.139 0.000 1.001 199 G CA 0.588 45.573 45.100 -0.191 0.000 0.693 199 G HN 0.105 8.294 8.290 -0.169 0.000 0.479 200 N N 0.696 119.321 118.700 -0.125 0.000 2.446 200 N HA -0.037 4.660 4.740 -0.073 0.000 0.179 200 N C -0.081 175.401 175.510 -0.046 0.000 1.054 200 N CA 1.136 54.139 53.050 -0.078 0.000 0.905 200 N CB 1.059 39.503 38.487 -0.072 0.000 0.973 200 N HN -0.197 8.097 8.380 -0.144 0.000 0.448 201 S N -1.059 114.616 115.700 -0.042 0.000 2.544 201 S HA -0.347 4.297 4.470 0.013 -0.166 0.290 201 S C 0.726 175.327 174.600 0.002 0.000 1.276 201 S CA 2.795 60.993 58.200 -0.003 0.000 1.075 201 S CB 0.063 63.270 63.200 0.012 0.000 0.849 201 S HN -0.445 7.794 8.310 -0.059 0.035 0.494 202 G N 5.025 113.840 108.800 0.025 0.000 2.195 202 G HA2 -0.440 3.544 3.960 0.040 0.000 0.246 202 G HA3 -0.440 3.684 3.960 0.017 -0.153 0.246 202 G C -0.322 174.590 174.900 0.019 0.000 0.984 202 G CA 0.047 45.162 45.100 0.026 0.000 0.633 202 G HN 0.437 8.751 8.290 0.040 0.000 0.525 203 G N 0.280 109.085 108.800 0.009 0.000 2.535 203 G HA2 0.376 4.340 3.960 0.007 0.000 0.282 203 G HA3 0.376 4.481 3.960 -0.004 -0.148 0.282 203 G C -2.382 172.530 174.900 0.020 0.000 1.350 203 G CA -1.327 43.776 45.100 0.007 0.000 1.039 203 G HN -0.266 7.960 8.290 0.003 0.066 0.509 204 A N -2.612 120.216 122.820 0.014 0.000 2.320 204 A HA 0.538 5.006 4.320 0.031 -0.130 0.334 204 A C -2.232 175.358 177.584 0.010 0.000 1.147 204 A CA -1.982 50.066 52.037 0.018 0.000 0.820 204 A CB 3.212 22.219 19.000 0.012 0.000 1.218 204 A HN -0.213 7.941 8.150 0.008 0.000 0.482 205 L N 3.559 124.792 121.223 0.016 0.000 2.318 205 L HA 0.655 5.157 4.340 -0.010 -0.167 0.277 205 L C -1.637 175.224 176.870 -0.014 0.000 1.008 205 L CA -1.000 53.842 54.840 0.003 0.000 0.846 205 L CB 2.504 44.576 42.059 0.023 0.000 1.220 205 L HN -0.344 7.903 8.230 0.029 0.000 0.423 206 V N 1.879 121.772 119.914 -0.036 0.000 2.975 206 V HA 1.003 5.259 4.120 -0.065 -0.175 0.318 206 V C -1.123 174.929 176.094 -0.069 0.000 1.077 206 V CA -3.682 58.585 62.300 -0.056 0.000 1.000 206 V CB 3.136 34.929 31.823 -0.050 0.000 1.066 206 V HN 0.065 8.232 8.190 -0.038 0.000 0.452 207 N N 0.260 118.916 118.700 -0.073 0.000 2.514 207 N HA 0.550 5.422 4.740 -0.087 -0.184 0.299 207 N C 1.998 177.468 175.510 -0.067 0.000 1.292 207 N CA -1.650 51.357 53.050 -0.072 0.000 0.963 207 N CB 0.980 39.437 38.487 -0.050 0.000 1.124 207 N HN -0.311 8.021 8.380 -0.080 0.000 0.580 208 S N -1.034 114.637 115.700 -0.048 0.000 2.507 208 S HA -0.163 4.306 4.470 -0.002 0.000 0.235 208 S C 0.702 175.329 174.600 0.046 0.000 0.988 208 S CA 2.381 60.591 58.200 0.016 0.000 0.944 208 S CB -0.712 62.545 63.200 0.094 0.000 0.762 208 S HN 0.304 8.590 8.310 -0.041 0.000 0.526 209 L N -3.109 118.120 121.223 0.010 0.000 2.529 209 L HA 0.207 4.560 4.340 0.021 0.000 0.223 209 L C 0.799 177.664 176.870 -0.009 0.000 1.113 209 L CA 0.071 54.914 54.840 0.006 0.000 0.861 209 L CB 0.328 42.383 42.059 -0.007 0.000 1.012 209 L HN -0.642 7.785 8.230 -0.008 -0.201 0.461 210 G N -2.871 105.915 108.800 -0.022 0.000 2.176 210 G HA2 -0.437 3.507 3.960 -0.026 0.000 0.232 210 G HA3 -0.437 3.512 3.960 -0.018 0.000 0.232 210 G C -0.520 174.345 174.900 -0.059 0.000 0.986 210 G CA -0.327 44.756 45.100 -0.030 0.000 0.643 210 G HN -0.393 7.834 8.290 -0.028 0.047 0.522 211 E N -0.038 120.109 120.200 -0.088 0.000 2.360 211 E HA -0.170 4.246 4.350 -0.146 -0.154 0.269 211 E C -0.597 175.886 176.600 -0.195 0.000 1.022 211 E CA -0.286 56.020 56.400 -0.156 0.000 0.887 211 E CB 0.898 30.485 29.700 -0.190 0.000 0.990 211 E HN -0.680 7.805 8.360 -0.079 -0.173 0.426 212 L N 4.278 125.357 121.223 -0.240 0.000 2.462 212 L HA -0.201 4.072 4.340 -0.111 0.000 0.272 212 L C -0.813 175.870 176.870 -0.312 0.000 1.166 212 L CA 1.267 55.989 54.840 -0.196 0.000 0.880 212 L CB 0.321 42.313 42.059 -0.112 0.000 1.142 212 L HN -0.070 8.014 8.230 -0.244 0.000 0.473 213 M N 3.415 122.961 119.600 -0.090 0.000 2.653 213 M HA 0.190 4.687 4.480 0.029 0.000 0.259 213 M C 0.000 176.433 176.300 0.222 0.000 1.244 213 M CA 0.144 55.473 55.300 0.049 0.000 1.163 213 M CB 2.065 34.682 32.600 0.029 0.000 1.309 213 M HN 0.509 8.773 8.290 -0.043 0.000 0.509 214 G N -3.854 105.034 108.800 0.147 0.000 2.606 214 G HA2 0.402 4.624 3.960 0.190 0.000 0.300 214 G HA3 0.402 4.423 3.960 0.146 0.026 0.300 214 G C -2.805 172.165 174.900 0.117 0.000 1.360 214 G CA 0.315 45.509 45.100 0.156 0.000 0.783 214 G HN -0.604 7.742 8.290 0.093 0.000 0.484 215 I N -0.960 119.682 120.570 0.120 0.000 2.448 215 I HA 0.458 4.840 4.170 0.080 -0.164 0.281 215 I C -0.727 175.458 176.117 0.114 0.000 1.027 215 I CA -2.666 58.694 61.300 0.099 0.000 1.111 215 I CB 1.273 39.328 38.000 0.092 0.000 1.236 215 I HN -0.077 8.299 8.210 0.136 -0.084 0.452 216 N N 9.102 127.851 118.700 0.083 0.000 2.412 216 N HA -0.069 4.892 4.740 0.096 -0.164 0.258 216 N C 0.317 175.882 175.510 0.092 0.000 1.236 216 N CA 1.432 54.529 53.050 0.078 0.000 0.882 216 N CB 0.051 38.557 38.487 0.030 0.000 1.066 216 N HN -0.023 8.395 8.380 0.063 0.000 0.465 217 T N 5.334 119.960 114.554 0.119 0.000 3.480 217 T HA 0.104 4.530 4.350 0.126 0.000 0.229 217 T C -0.747 173.996 174.700 0.072 0.000 0.944 217 T CA 2.135 64.310 62.100 0.125 0.000 1.388 217 T CB 1.418 70.396 68.868 0.183 0.000 1.180 217 T HN 0.473 8.790 8.240 0.129 0.000 0.414 218 L N -3.436 117.829 121.223 0.070 0.000 2.600 218 L HA 0.286 4.629 4.340 0.005 0.000 0.257 218 L C -1.859 175.039 176.870 0.048 0.000 1.048 218 L CA -1.458 53.404 54.840 0.036 0.000 0.869 218 L CB 3.957 46.025 42.059 0.016 0.000 1.482 218 L HN -0.424 7.867 8.230 0.101 0.000 0.408 219 S N -1.146 114.554 115.700 0.001 0.000 2.654 219 S HA 0.287 4.795 4.470 -0.115 -0.107 0.283 219 S C -0.972 173.677 174.600 0.083 0.000 1.180 219 S CA -0.687 57.498 58.200 -0.024 0.000 1.021 219 S CB 1.450 64.624 63.200 -0.043 0.000 1.018 219 S HN -0.025 8.276 8.310 -0.014 0.000 0.532 220 F N 3.884 123.814 119.950 -0.034 0.000 2.467 220 F HA -0.167 4.432 4.527 0.120 0.000 0.362 220 F C -1.305 174.499 175.800 0.006 0.000 1.090 220 F CA 1.098 59.134 58.000 0.060 0.000 1.202 220 F CB 0.937 39.986 39.000 0.082 0.000 1.113 220 F HN -0.281 8.100 8.300 0.136 0.000 0.541 221 D N 7.435 127.586 120.400 -0.414 0.000 2.861 221 D HA 0.128 4.714 4.640 -0.091 0.000 0.357 221 D C -1.259 174.841 176.300 -0.334 0.000 1.250 221 D CA -0.406 53.449 54.000 -0.242 0.000 0.802 221 D CB 0.350 41.066 40.800 -0.140 0.000 1.141 221 D HN 0.073 8.054 8.370 -0.647 0.000 0.489 229 P HA 0.167 4.655 4.420 0.113 0.000 0.271 229 P C -1.596 175.741 177.300 0.061 0.000 1.216 229 P CA -0.608 62.570 63.100 0.129 0.000 0.776 229 P CB 0.868 32.742 31.700 0.290 0.000 0.881 230 E N 1.454 121.669 120.200 0.026 0.000 2.224 230 E HA 0.051 4.404 4.350 0.005 0.000 0.265 230 E C -0.185 176.398 176.600 -0.028 0.000 0.878 230 E CA -0.220 56.181 56.400 0.001 0.000 0.759 230 E CB 1.126 30.826 29.700 0.001 0.000 1.164 230 E HN 0.059 8.430 8.360 0.018 0.000 0.414 231 G N 3.074 111.849 108.800 -0.042 0.000 2.182 231 G HA2 -0.384 3.536 3.960 -0.067 0.000 0.248 231 G HA3 -0.384 3.541 3.960 -0.058 0.000 0.248 231 G C -1.443 173.385 174.900 -0.120 0.000 1.042 231 G CA 0.246 45.305 45.100 -0.068 0.000 0.775 231 G HN 0.614 8.883 8.290 -0.034 0.000 0.501 232 I N 0.381 120.861 120.570 -0.149 0.000 2.448 232 I HA 0.076 4.050 4.170 -0.326 0.000 0.281 232 I C -1.976 173.886 176.117 -0.425 0.000 1.027 232 I CA -0.900 60.227 61.300 -0.288 0.000 1.111 232 I CB 1.025 38.885 38.000 -0.233 0.000 1.236 232 I HN -0.429 7.716 8.210 -0.108 0.000 0.452 233 G N 4.925 113.375 108.800 -0.583 0.000 2.660 233 G HA2 0.790 4.535 3.960 -0.570 0.000 0.294 233 G HA3 0.790 4.557 3.960 -0.321 0.000 0.294 233 G C -2.704 171.751 174.900 -0.741 0.000 1.369 233 G CA -0.916 43.841 45.100 -0.572 0.000 0.912 233 G HN -0.145 7.829 8.290 -0.527 0.000 0.479 234 F N -1.487 118.418 119.950 -0.074 0.000 2.579 234 F HA 1.057 5.778 4.527 -0.031 -0.213 0.324 234 F C -1.556 174.255 175.800 0.020 0.000 1.058 234 F CA -2.607 55.343 58.000 -0.085 0.000 0.944 234 F CB 4.795 43.571 39.000 -0.375 0.000 1.245 234 F HN -0.136 8.087 8.300 -0.127 0.000 0.477 235 A N -1.578 121.454 122.820 0.352 0.000 2.515 235 A HA 0.609 5.248 4.320 0.267 -0.158 0.298 235 A C -2.060 175.749 177.584 0.375 0.000 1.059 235 A CA -1.695 50.519 52.037 0.295 0.000 0.698 235 A CB 3.872 22.977 19.000 0.175 0.000 1.289 235 A HN 0.548 8.953 8.150 0.426 0.000 0.404 236 I N 1.908 122.643 120.570 0.274 0.000 2.471 236 I HA 0.406 4.629 4.170 0.088 0.000 0.286 236 I C -1.367 174.807 176.117 0.095 0.000 1.079 236 I CA -3.836 57.545 61.300 0.136 0.000 1.398 236 I CB -0.480 37.563 38.000 0.072 0.000 1.403 236 I HN -0.136 8.220 8.210 0.243 0.000 0.530 237 P HA 0.035 4.655 4.420 0.106 -0.136 0.266 237 P C 0.995 178.297 177.300 0.003 0.000 1.195 237 P CA 0.032 63.150 63.100 0.030 0.000 0.768 237 P CB 0.188 31.848 31.700 -0.066 0.000 0.838 238 F N 3.334 123.282 119.950 -0.004 0.000 2.216 238 F HA -0.368 4.159 4.527 0.000 0.000 0.300 238 F C 1.073 176.863 175.800 -0.015 0.000 1.085 238 F CA 3.881 61.878 58.000 -0.005 0.000 1.326 238 F CB -0.468 38.530 39.000 -0.003 0.000 1.027 238 F HN -0.188 8.335 8.300 0.373 0.000 0.497 239 Q N 0.933 120.131 119.800 -1.003 0.000 1.967 239 Q HA -0.431 3.519 4.340 -0.649 0.000 0.202 239 Q C 2.213 178.032 176.000 -0.302 0.000 0.985 239 Q CA 3.391 58.773 55.803 -0.702 0.000 0.839 239 Q CB -0.830 27.497 28.738 -0.684 0.000 0.906 239 Q HN 0.086 7.577 8.270 -1.276 0.013 0.423 240 L N -1.905 119.169 121.223 -0.249 0.000 2.127 240 L HA -0.375 3.873 4.340 -0.152 0.000 0.211 240 L C 1.198 178.003 176.870 -0.108 0.000 1.089 240 L CA 2.273 57.017 54.840 -0.160 0.000 0.757 240 L CB -0.487 41.478 42.059 -0.157 0.000 0.899 240 L HN -0.238 7.823 8.230 -0.281 0.000 0.434 241 A N -2.168 120.606 122.820 -0.077 0.000 1.898 241 A HA -0.348 3.956 4.320 -0.028 0.000 0.216 241 A C 1.793 179.364 177.584 -0.021 0.000 1.181 241 A CA 3.202 55.225 52.037 -0.024 0.000 0.620 241 A CB -0.816 18.202 19.000 0.030 0.000 0.819 241 A HN -0.214 7.865 8.150 -0.085 0.020 0.442 242 T N 0.852 115.394 114.554 -0.020 0.000 2.788 242 T HA -0.464 3.887 4.350 0.003 0.000 0.268 242 T C 2.166 176.841 174.700 -0.042 0.000 1.044 242 T CA 4.908 67.001 62.100 -0.013 0.000 1.139 242 T CB -0.366 68.506 68.868 0.007 0.000 0.867 242 T HN -0.580 7.642 8.240 -0.030 0.000 0.454 243 K N 1.344 121.707 120.400 -0.062 0.000 2.057 243 K HA -0.271 4.011 4.320 -0.063 0.000 0.207 243 K C 2.334 178.897 176.600 -0.062 0.000 1.049 243 K CA 3.539 59.786 56.287 -0.066 0.000 0.931 243 K CB -0.170 32.283 32.500 -0.078 0.000 0.714 243 K HN -0.813 7.392 8.250 -0.075 0.000 0.440 244 I N -0.680 119.854 120.570 -0.059 0.000 2.286 244 I HA -0.509 3.628 4.170 -0.055 0.000 0.248 244 I C 1.775 177.861 176.117 -0.052 0.000 1.115 244 I CA 3.649 64.918 61.300 -0.053 0.000 1.392 244 I CB -0.073 37.899 38.000 -0.046 0.000 1.065 244 I HN -0.772 7.402 8.210 -0.060 0.000 0.418 245 M N 1.205 120.775 119.600 -0.050 0.000 2.099 245 M HA -0.536 3.911 4.480 -0.055 0.000 0.262 245 M C 1.141 177.377 176.300 -0.107 0.000 1.067 245 M CA 4.380 59.642 55.300 -0.064 0.000 1.124 245 M CB -0.106 32.467 32.600 -0.045 0.000 1.353 245 M HN -0.605 7.659 8.290 -0.043 0.000 0.410 246 D N -0.907 119.434 120.400 -0.098 0.000 2.104 246 D HA -0.377 4.174 4.640 -0.149 0.000 0.194 246 D C 2.455 178.691 176.300 -0.107 0.000 0.994 246 D CA 3.781 57.712 54.000 -0.114 0.000 0.830 246 D CB -0.233 40.518 40.800 -0.082 0.000 0.959 246 D HN -0.276 8.047 8.370 -0.079 0.000 0.452 247 K N -1.102 119.250 120.400 -0.080 0.000 2.026 247 K HA -0.263 4.019 4.320 -0.064 0.000 0.208 247 K C 2.333 178.892 176.600 -0.068 0.000 1.048 247 K CA 2.934 59.181 56.287 -0.067 0.000 0.929 247 K CB -0.372 32.095 32.500 -0.055 0.000 0.713 247 K HN -0.757 7.449 8.250 -0.074 0.000 0.439 248 L N -1.280 119.902 121.223 -0.069 0.000 2.083 248 L HA -0.285 4.028 4.340 -0.044 0.000 0.209 248 L C 2.059 178.887 176.870 -0.070 0.000 1.083 248 L CA 2.302 57.108 54.840 -0.057 0.000 0.752 248 L CB -0.003 42.030 42.059 -0.045 0.000 0.899 248 L HN -0.879 7.309 8.230 -0.070 0.000 0.433 249 I N -2.685 117.808 120.570 -0.130 0.000 2.226 249 I HA -0.418 3.667 4.170 -0.142 0.000 0.245 249 I C 1.702 177.757 176.117 -0.104 0.000 1.100 249 I CA 2.568 63.759 61.300 -0.182 0.000 1.374 249 I CB -0.119 37.634 38.000 -0.412 0.000 1.057 249 I HN -0.530 7.589 8.210 -0.153 0.000 0.413 250 R N -1.916 118.530 120.500 -0.091 0.000 2.148 250 R HA -0.191 4.118 4.340 -0.052 0.000 0.227 250 R C 0.273 176.552 176.300 -0.036 0.000 1.103 250 R CA 1.892 57.957 56.100 -0.057 0.000 0.983 250 R CB 0.398 30.665 30.300 -0.055 0.000 0.874 250 R HN -0.629 7.500 8.270 -0.101 0.080 0.451 251 D N 0.000 120.379 120.400 -0.035 0.000 6.856 251 D HA 0.000 4.629 4.640 -0.019 0.000 0.175 251 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 251 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 251 D HN 0.000 8.212 8.370 -0.043 0.132 0.683