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 3lh3_1_E DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NTXXXXQLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIXXXXXXX DATA SEQUENCE XNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDKSNDG ETPEGIGFAI 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 4.525 4.527 -0.003 0.000 0.279 37 F C 0.000 175.798 175.800 -0.004 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 38 D N 2.502 122.959 120.400 0.095 0.000 2.381 38 D HA 0.271 4.857 4.640 -0.089 0.000 0.235 38 D C 0.131 176.518 176.300 0.144 0.000 1.068 38 D CA 0.096 54.110 54.000 0.023 0.000 0.832 38 D CB 1.343 42.144 40.800 0.001 0.000 1.101 38 D HN 0.197 8.661 8.370 0.156 0.000 0.515 39 S N 4.608 120.403 115.700 0.160 0.000 2.568 39 S HA 0.180 4.869 4.470 0.153 -0.128 0.232 39 S C 1.357 176.002 174.600 0.076 0.000 0.975 39 S CA -0.128 58.170 58.200 0.163 0.000 0.949 39 S CB 0.345 63.692 63.200 0.245 0.000 0.829 39 S HN 0.475 8.845 8.310 0.101 0.000 0.479 40 T N 4.892 119.472 114.554 0.043 0.000 2.685 40 T HA -0.323 4.037 4.350 0.017 0.000 0.268 40 T C 0.212 174.925 174.700 0.021 0.000 1.034 40 T CA 3.925 66.037 62.100 0.020 0.000 1.149 40 T CB 0.040 68.912 68.868 0.006 0.000 0.860 40 T HN -0.565 7.820 8.240 0.035 -0.124 0.449 41 D N -2.172 118.242 120.400 0.024 0.000 2.349 41 D HA 0.226 4.874 4.640 0.012 0.000 0.214 41 D C -0.741 175.570 176.300 0.017 0.000 1.063 41 D CA -0.085 53.926 54.000 0.017 0.000 0.847 41 D CB 0.179 40.988 40.800 0.015 0.000 0.933 41 D HN 0.305 8.681 8.370 0.031 0.012 0.513 42 E N 0.201 120.416 120.200 0.026 0.000 2.345 42 E HA 0.127 4.485 4.350 0.012 0.000 0.259 42 E C -0.547 176.058 176.600 0.008 0.000 1.117 42 E CA 0.296 56.708 56.400 0.019 0.000 0.913 42 E CB 1.154 30.872 29.700 0.029 0.000 1.057 42 E HN -0.704 7.504 8.360 0.036 0.174 0.432 43 T N 3.424 117.975 114.554 -0.004 0.000 2.791 43 T HA 0.295 4.639 4.350 -0.010 0.000 0.288 43 T C -1.992 172.692 174.700 -0.026 0.000 0.999 43 T CA -2.375 59.717 62.100 -0.014 0.000 0.952 43 T CB 0.340 69.197 68.868 -0.020 0.000 0.938 43 T HN -0.084 8.152 8.240 -0.007 0.000 0.444 44 P HA 0.046 4.445 4.420 -0.035 0.000 0.267 44 P C -0.498 176.757 177.300 -0.076 0.000 1.205 44 P CA -0.463 62.612 63.100 -0.040 0.000 0.765 44 P CB 0.281 31.964 31.700 -0.029 0.000 0.828 45 A N 3.033 125.795 122.820 -0.096 0.000 2.540 45 A HA -0.055 4.161 4.320 -0.175 0.000 0.239 45 A C -0.394 177.048 177.584 -0.237 0.000 1.061 45 A CA 0.595 52.531 52.037 -0.169 0.000 0.758 45 A CB 0.237 19.143 19.000 -0.156 0.000 0.991 45 A HN 0.033 8.136 8.150 -0.079 0.000 0.502 46 S N 1.850 117.326 115.700 -0.374 0.000 2.547 46 S HA 0.091 4.373 4.470 -0.313 0.000 0.270 46 S C -1.182 173.108 174.600 -0.518 0.000 1.150 46 S CA -0.142 57.847 58.200 -0.352 0.000 0.850 46 S CB 0.849 63.961 63.200 -0.146 0.000 1.118 46 S HN -0.123 7.935 8.310 -0.420 0.000 0.461 47 Y N 1.859 122.160 120.300 0.002 0.000 2.720 47 Y HA 0.214 4.764 4.550 -0.000 0.000 0.268 47 Y C -0.117 175.783 175.900 0.000 0.000 1.142 47 Y CA -0.700 57.401 58.100 0.000 0.000 1.193 47 Y CB -0.014 38.446 38.460 -0.000 0.000 1.176 47 Y HN 0.192 8.452 8.280 -0.033 0.000 0.542 48 N N 1.664 120.407 118.700 0.073 0.000 2.223 48 N HA -0.339 4.439 4.740 0.062 0.000 0.185 48 N C 1.001 176.540 175.510 0.048 0.000 1.016 48 N CA 3.333 56.414 53.050 0.052 0.000 0.863 48 N CB 0.357 38.855 38.487 0.020 0.000 0.983 48 N HN -0.429 7.896 8.380 0.018 0.066 0.429 49 L N -0.099 121.152 121.223 0.046 0.000 2.012 49 L HA -0.296 4.060 4.340 0.027 0.000 0.210 49 L C 1.020 177.917 176.870 0.044 0.000 1.073 49 L CA 3.090 57.953 54.840 0.038 0.000 0.748 49 L CB -0.501 41.578 42.059 0.034 0.000 0.891 49 L HN -0.172 8.083 8.230 0.042 0.000 0.431 50 A N -2.664 120.196 122.820 0.067 0.000 1.940 50 A HA -0.404 3.934 4.320 0.030 0.000 0.219 50 A C 2.137 179.742 177.584 0.034 0.000 1.176 50 A CA 3.001 55.066 52.037 0.048 0.000 0.631 50 A CB -1.073 17.962 19.000 0.058 0.000 0.814 50 A HN 0.096 8.304 8.150 0.097 0.000 0.446 51 V N -1.382 118.560 119.914 0.048 0.000 2.307 51 V HA -0.610 3.527 4.120 0.028 0.000 0.245 51 V C 2.350 178.459 176.094 0.025 0.000 1.045 51 V CA 4.296 66.617 62.300 0.035 0.000 1.024 51 V CB -0.228 31.622 31.823 0.045 0.000 0.651 51 V HN -0.668 7.466 8.190 0.065 0.095 0.449 52 R N -1.390 119.126 120.500 0.025 0.000 2.120 52 R HA -0.306 4.046 4.340 0.019 0.000 0.234 52 R C 2.208 178.516 176.300 0.015 0.000 1.123 52 R CA 3.320 59.431 56.100 0.019 0.000 0.975 52 R CB -0.319 29.992 30.300 0.018 0.000 0.866 52 R HN -0.118 8.169 8.270 0.029 0.000 0.446 53 R N -3.302 117.206 120.500 0.013 0.000 2.075 53 R HA -0.125 4.218 4.340 0.005 0.000 0.226 53 R C 0.845 177.145 176.300 0.001 0.000 1.114 53 R CA 2.718 58.821 56.100 0.005 0.000 0.972 53 R CB 0.344 30.645 30.300 0.002 0.000 0.869 53 R HN -0.508 7.750 8.270 0.016 0.022 0.437 54 A N -3.213 119.607 122.820 0.000 0.000 1.963 54 A HA 0.185 4.499 4.320 -0.009 0.000 0.207 54 A C 1.411 178.996 177.584 0.002 0.000 1.243 54 A CA 1.291 53.325 52.037 -0.005 0.000 0.728 54 A CB 0.544 19.536 19.000 -0.014 0.000 0.895 54 A HN -0.402 7.751 8.150 0.005 0.000 0.467 55 A N -0.120 122.704 122.820 0.008 0.000 1.927 55 A HA -0.164 4.162 4.320 0.009 0.000 0.220 55 A C -1.043 176.550 177.584 0.016 0.000 1.185 55 A CA 4.360 56.404 52.037 0.012 0.000 0.639 55 A CB -2.413 16.597 19.000 0.016 0.000 0.820 55 A HN -0.003 8.153 8.150 0.009 0.000 0.451 56 P HA -0.216 4.220 4.420 0.027 0.000 0.225 56 P C -0.344 176.971 177.300 0.026 0.000 1.148 56 P CA 1.707 64.821 63.100 0.024 0.000 0.779 56 P CB -0.363 31.350 31.700 0.023 0.000 0.780 57 A N -5.325 117.506 122.820 0.018 0.000 2.238 57 A HA 0.174 4.507 4.320 0.022 0.000 0.210 57 A C -1.372 176.223 177.584 0.017 0.000 1.179 57 A CA -0.518 51.529 52.037 0.017 0.000 0.827 57 A CB 1.011 20.017 19.000 0.009 0.000 0.856 57 A HN -0.540 7.580 8.150 0.013 0.038 0.488 58 V N 0.324 120.247 119.914 0.015 0.000 2.432 58 V HA 0.361 4.655 4.120 0.008 -0.169 0.275 58 V C -0.410 175.692 176.094 0.013 0.000 1.043 58 V CA 0.121 62.426 62.300 0.009 0.000 0.925 58 V CB 0.753 32.576 31.823 0.001 0.000 0.985 58 V HN -0.729 7.322 8.190 0.014 0.147 0.466 59 V N 0.248 120.167 119.914 0.009 0.000 2.919 59 V HA 0.599 4.816 4.120 0.033 -0.078 0.316 59 V C -1.359 174.720 176.094 -0.026 0.000 1.077 59 V CA -3.564 58.747 62.300 0.018 0.000 0.977 59 V CB 3.008 34.857 31.823 0.045 0.000 1.039 59 V HN 0.299 8.383 8.190 0.004 0.109 0.441 60 N N 1.726 120.407 118.700 -0.031 0.000 2.472 60 N HA 0.218 4.830 4.740 -0.213 0.000 0.277 60 N C -0.800 174.559 175.510 -0.253 0.000 1.081 60 N CA -0.994 51.948 53.050 -0.179 0.000 0.973 60 N CB 0.981 39.377 38.487 -0.151 0.000 1.105 60 N HN -0.090 8.303 8.380 0.022 0.000 0.470 61 V N 3.466 123.156 119.914 -0.374 0.000 2.384 61 V HA 0.461 4.697 4.120 -0.102 -0.176 0.287 61 V C -1.340 174.516 176.094 -0.396 0.000 1.020 61 V CA -0.987 61.167 62.300 -0.242 0.000 0.850 61 V CB 1.768 33.523 31.823 -0.114 0.000 0.987 61 V HN 0.088 7.940 8.190 -0.390 0.104 0.436 62 Y N 6.008 126.320 120.300 0.019 0.000 2.334 62 Y HA 0.238 4.798 4.550 0.016 0.000 0.336 62 Y C -1.188 174.725 175.900 0.022 0.000 0.960 62 Y CA -1.542 56.569 58.100 0.019 0.000 1.164 62 Y CB 1.921 40.393 38.460 0.020 0.000 1.155 62 Y HN 0.694 9.075 8.280 0.168 0.000 0.478 63 N N 4.923 123.707 118.700 0.140 0.000 2.439 63 N HA 0.123 4.916 4.740 0.088 0.000 0.243 63 N C -1.184 174.389 175.510 0.105 0.000 1.088 63 N CA -0.572 52.537 53.050 0.099 0.000 0.940 63 N CB 0.565 39.092 38.487 0.067 0.000 1.180 63 N HN 0.308 8.757 8.380 0.114 0.000 0.505 64 R N 5.860 126.414 120.500 0.091 0.000 2.407 64 R HA 0.703 5.264 4.340 0.072 -0.178 0.303 64 R C -0.854 175.475 176.300 0.048 0.000 0.981 64 R CA -1.057 55.084 56.100 0.068 0.000 0.905 64 R CB 3.417 33.750 30.300 0.055 0.000 1.099 64 R HN 0.368 8.690 8.270 0.087 0.000 0.459 65 G N 0.833 109.657 108.800 0.040 0.000 2.571 65 G HA2 0.601 4.784 3.960 0.029 0.000 0.304 65 G HA3 0.601 4.580 3.960 0.032 0.000 0.304 65 G C -2.999 171.916 174.900 0.024 0.000 1.314 65 G CA -1.292 43.827 45.100 0.031 0.000 0.975 65 G HN 0.492 8.807 8.290 0.042 0.000 0.485 66 L N 0.802 122.036 121.223 0.019 0.000 2.380 66 L HA 0.091 4.438 4.340 0.013 0.000 0.273 66 L C -1.519 175.359 176.870 0.013 0.000 1.138 66 L CA 0.009 54.857 54.840 0.014 0.000 0.832 66 L CB 1.618 43.684 42.059 0.012 0.000 1.124 66 L HN -0.330 8.140 8.230 0.019 -0.228 0.454 67 N N 4.448 123.154 118.700 0.011 0.000 3.117 67 N HA 0.188 4.935 4.740 0.011 0.000 0.332 67 N C -0.535 174.980 175.510 0.008 0.000 1.385 67 N CA -1.233 51.823 53.050 0.010 0.000 0.683 67 N CB 1.129 39.623 38.487 0.011 0.000 1.272 67 N HN -0.046 8.340 8.380 0.009 0.000 0.522 74 L N 1.838 123.060 121.223 -0.000 0.000 2.456 74 L HA -0.086 4.385 4.340 0.009 -0.125 0.272 74 L C -0.259 176.613 176.870 0.003 0.000 1.189 74 L CA 0.054 54.896 54.840 0.004 0.000 0.846 74 L CB 0.623 42.684 42.059 0.003 0.000 1.111 74 L HN 0.308 8.536 8.230 -0.003 0.000 0.475 75 E N 1.909 122.118 120.200 0.014 0.000 2.238 75 E HA 0.296 4.653 4.350 0.012 0.000 0.267 75 E C -1.132 175.489 176.600 0.036 0.000 0.887 75 E CA -1.950 54.462 56.400 0.019 0.000 0.769 75 E CB 3.519 33.233 29.700 0.023 0.000 1.187 75 E HN 0.311 8.574 8.360 0.019 0.108 0.416 76 I N 4.425 125.021 120.570 0.045 0.000 2.372 76 I HA -0.126 4.102 4.170 0.097 0.000 0.298 76 I C 0.466 176.640 176.117 0.096 0.000 1.137 76 I CA 1.083 62.435 61.300 0.088 0.000 1.314 76 I CB -1.250 36.819 38.000 0.115 0.000 1.444 76 I HN 0.545 8.775 8.210 0.034 0.000 0.541 77 R N 6.425 126.978 120.500 0.087 0.000 2.066 77 R HA -0.072 4.311 4.340 0.072 0.000 0.232 77 R C 0.974 177.334 176.300 0.101 0.000 1.131 77 R CA 1.292 57.440 56.100 0.080 0.000 0.955 77 R CB 0.844 31.184 30.300 0.065 0.000 0.851 77 R HN 0.072 8.392 8.270 0.083 0.000 0.432 78 T N -4.066 110.553 114.554 0.109 0.000 2.883 78 T HA 0.297 4.734 4.350 0.144 0.000 0.301 78 T C -2.528 172.218 174.700 0.076 0.000 1.158 78 T CA -1.152 61.014 62.100 0.110 0.000 1.007 78 T CB 3.329 72.251 68.868 0.089 0.000 1.186 78 T HN -0.607 7.698 8.240 0.107 0.000 0.499 79 L N -1.645 119.580 121.223 0.003 0.000 2.424 79 L HA 1.068 5.478 4.340 -0.143 -0.156 0.258 79 L C -1.283 175.442 176.870 -0.241 0.000 0.995 79 L CA -1.476 53.286 54.840 -0.130 0.000 0.821 79 L CB 4.164 46.153 42.059 -0.117 0.000 1.383 79 L HN 0.207 8.440 8.230 0.004 0.000 0.410 80 G N -0.853 107.783 108.800 -0.273 0.000 2.772 80 G HA2 0.334 4.257 3.960 -0.280 0.000 0.284 80 G HA3 0.334 4.175 3.960 -0.198 0.000 0.284 80 G C -2.232 172.531 174.900 -0.227 0.000 1.217 80 G CA 0.044 44.997 45.100 -0.245 0.000 0.831 80 G HN 0.343 8.443 8.290 -0.315 0.000 0.523 81 S N -1.085 114.524 115.700 -0.153 0.000 2.704 81 S HA 1.022 5.552 4.470 -0.137 -0.143 0.296 81 S C -0.776 173.784 174.600 -0.067 0.000 1.138 81 S CA -1.617 56.514 58.200 -0.114 0.000 0.875 81 S CB 4.140 67.287 63.200 -0.088 0.000 1.151 81 S HN 0.018 8.250 8.310 -0.130 0.000 0.500 82 G N -2.048 106.729 108.800 -0.040 0.000 2.682 82 G HA2 0.815 5.040 3.960 -0.005 0.000 0.290 82 G HA3 0.815 4.772 3.960 -0.006 0.000 0.290 82 G C -3.017 171.885 174.900 0.002 0.000 1.425 82 G CA -0.160 44.934 45.100 -0.010 0.000 0.807 82 G HN 0.003 8.269 8.290 -0.039 0.000 0.482 83 V N -0.009 119.915 119.914 0.016 0.000 2.482 83 V HA 0.343 4.608 4.120 0.014 -0.137 0.295 83 V C -1.005 175.105 176.094 0.027 0.000 1.026 83 V CA -1.202 61.109 62.300 0.019 0.000 0.856 83 V CB 3.296 35.132 31.823 0.022 0.000 1.001 83 V HN 0.063 8.266 8.190 0.021 0.000 0.424 84 I N 8.193 128.776 120.570 0.021 0.000 2.494 84 I HA -0.149 4.036 4.170 0.024 0.000 0.289 84 I C 0.165 176.299 176.117 0.028 0.000 1.106 84 I CA 1.431 62.743 61.300 0.021 0.000 1.369 84 I CB -0.402 37.602 38.000 0.007 0.000 1.410 84 I HN 0.489 8.710 8.210 0.018 0.000 0.523 85 M N 6.235 125.864 119.600 0.048 0.000 2.287 85 M HA -0.060 4.444 4.480 0.040 0.000 0.266 85 M C 0.125 176.454 176.300 0.049 0.000 1.079 85 M CA -0.202 55.129 55.300 0.052 0.000 1.146 85 M CB -0.094 32.547 32.600 0.069 0.000 1.374 85 M HN 0.164 8.491 8.290 0.063 0.000 0.435 86 D N -6.596 113.839 120.400 0.059 0.000 2.692 86 D HA 0.103 4.763 4.640 0.034 0.000 0.303 86 D C 0.042 176.358 176.300 0.028 0.000 1.278 86 D CA -1.028 53.002 54.000 0.049 0.000 0.852 86 D CB 0.551 41.395 40.800 0.073 0.000 1.375 86 D HN -0.849 7.561 8.370 0.066 0.000 0.453 87 Q N -2.632 117.178 119.800 0.017 0.000 2.291 87 Q HA -0.201 4.126 4.340 -0.021 0.000 0.205 87 Q C 1.123 177.103 176.000 -0.033 0.000 0.970 87 Q CA 2.156 57.953 55.803 -0.010 0.000 0.876 87 Q CB -0.327 28.409 28.738 -0.003 0.000 0.935 87 Q HN 0.361 8.646 8.270 0.024 0.000 0.455 88 R N -3.541 116.957 120.500 -0.004 0.000 2.152 88 R HA -0.296 4.006 4.340 -0.064 0.000 0.232 88 R C 0.406 176.579 176.300 -0.212 0.000 1.117 88 R CA 1.840 57.906 56.100 -0.055 0.000 0.981 88 R CB 0.687 31.037 30.300 0.083 0.000 0.870 88 R HN -0.471 7.976 8.270 0.044 -0.151 0.451 89 G N -4.998 103.696 108.800 -0.177 0.000 2.138 89 G HA2 -0.338 3.507 3.960 -0.191 0.000 0.193 89 G HA3 -0.338 3.634 3.960 -0.322 -0.206 0.193 89 G C -0.634 174.098 174.900 -0.280 0.000 0.998 89 G CA -0.475 44.474 45.100 -0.253 0.000 0.668 89 G HN -0.493 7.859 8.290 -0.078 -0.109 0.516 90 Y N 0.879 121.150 120.300 -0.047 0.000 2.377 90 Y HA 0.361 5.126 4.550 -0.032 -0.234 0.330 90 Y C -0.732 175.154 175.900 -0.023 0.000 1.108 90 Y CA 1.071 59.152 58.100 -0.031 0.000 1.308 90 Y CB 0.535 38.983 38.460 -0.020 0.000 1.216 90 Y HN -1.053 7.402 8.280 0.029 -0.157 0.518 91 I N 1.733 122.383 120.570 0.134 0.000 2.498 91 I HA 0.462 4.850 4.170 0.067 -0.178 0.290 91 I C -0.692 175.471 176.117 0.076 0.000 1.032 91 I CA -1.606 59.739 61.300 0.075 0.000 1.073 91 I CB 3.660 41.681 38.000 0.035 0.000 1.251 91 I HN 0.263 8.563 8.210 0.149 0.000 0.426 92 I N 6.638 127.244 120.570 0.059 0.000 2.472 92 I HA 0.568 4.932 4.170 0.051 -0.163 0.290 92 I C -0.468 175.671 176.117 0.037 0.000 1.016 92 I CA -0.396 60.933 61.300 0.049 0.000 1.348 92 I CB 1.272 39.300 38.000 0.047 0.000 1.417 92 I HN 0.058 8.301 8.210 0.055 0.000 0.521 93 T N 4.439 119.014 114.554 0.035 0.000 2.645 93 T HA 0.365 4.726 4.350 0.019 0.000 0.300 93 T C -2.072 172.650 174.700 0.037 0.000 1.210 93 T CA -2.427 59.688 62.100 0.025 0.000 1.034 93 T CB 1.474 70.350 68.868 0.014 0.000 1.537 93 T HN 0.388 8.650 8.240 0.038 0.000 0.492 94 N N 0.454 119.177 118.700 0.038 0.000 2.430 94 N HA 0.444 5.405 4.740 0.081 -0.172 0.292 94 N C 0.080 175.631 175.510 0.068 0.000 1.051 94 N CA -0.574 52.519 53.050 0.071 0.000 0.917 94 N CB 1.990 40.527 38.487 0.084 0.000 1.164 94 N HN 0.372 8.766 8.380 0.024 0.000 0.484 95 K N 4.067 124.507 120.400 0.068 0.000 2.097 95 K HA -0.364 3.955 4.320 -0.001 0.000 0.206 95 K C 1.441 178.026 176.600 -0.025 0.000 1.049 95 K CA 2.856 59.143 56.287 0.000 0.000 0.933 95 K CB 0.137 32.608 32.500 -0.047 0.000 0.717 95 K HN -0.098 8.195 8.250 0.086 0.009 0.442 96 H N -2.417 116.662 119.070 0.014 0.000 2.421 96 H HA -0.239 4.328 4.556 0.018 0.000 0.298 96 H C 1.790 177.122 175.328 0.007 0.000 1.087 96 H CA 3.691 59.747 56.048 0.015 0.000 1.330 96 H CB -0.052 29.721 29.762 0.018 0.000 1.388 96 H HN -0.690 7.863 8.280 0.226 -0.138 0.526 97 V N -3.600 116.379 119.914 0.109 0.000 2.548 97 V HA -0.227 3.916 4.120 0.039 0.000 0.249 97 V C 0.764 176.875 176.094 0.029 0.000 1.055 97 V CA 2.248 64.572 62.300 0.039 0.000 1.065 97 V CB 0.507 32.323 31.823 -0.011 0.000 0.681 97 V HN -0.642 7.503 8.190 0.110 0.111 0.462 98 I N -9.546 111.040 120.570 0.026 0.000 3.956 98 I HA 0.063 4.250 4.170 0.027 0.000 0.333 98 I C -0.640 175.485 176.117 0.014 0.000 1.302 98 I CA -1.658 59.655 61.300 0.022 0.000 1.122 98 I CB -0.171 37.841 38.000 0.020 0.000 1.013 98 I HN -1.014 7.212 8.210 0.026 0.000 0.405 99 N N 3.223 121.925 118.700 0.003 0.000 2.359 99 N HA -0.194 4.532 4.740 -0.024 0.000 0.261 99 N C -0.344 175.170 175.510 0.006 0.000 1.267 99 N CA 1.777 54.819 53.050 -0.013 0.000 0.864 99 N CB 0.029 38.492 38.487 -0.040 0.000 1.063 99 N HN -0.635 7.748 8.380 0.006 0.000 0.474 100 D N -0.381 120.021 120.400 0.003 0.000 2.746 100 D HA -0.314 4.331 4.640 0.007 0.000 0.236 100 D C -1.743 174.569 176.300 0.020 0.000 1.129 100 D CA 1.195 55.202 54.000 0.010 0.000 0.691 100 D CB -0.118 40.688 40.800 0.011 0.000 1.077 100 D HN 0.189 8.557 8.370 -0.003 0.000 0.432 101 A N -3.379 119.454 122.820 0.022 0.000 2.303 101 A HA 0.107 4.542 4.320 0.034 -0.095 0.317 101 A C -0.207 177.394 177.584 0.027 0.000 1.149 101 A CA -1.088 50.967 52.037 0.030 0.000 0.822 101 A CB 2.171 21.193 19.000 0.037 0.000 1.131 101 A HN -0.539 7.622 8.150 0.019 0.000 0.493 102 D N 0.615 121.033 120.400 0.029 0.000 2.240 102 D HA -0.017 4.636 4.640 0.022 0.000 0.206 102 D C 0.040 176.357 176.300 0.028 0.000 0.963 102 D CA 2.024 56.039 54.000 0.025 0.000 0.863 102 D CB 1.227 42.041 40.800 0.023 0.000 0.973 102 D HN 0.061 8.450 8.370 0.032 0.000 0.501 103 Q N -1.664 118.158 119.800 0.036 0.000 2.327 103 Q HA 0.232 4.595 4.340 0.038 0.000 0.265 103 Q C -2.555 173.479 176.000 0.058 0.000 0.993 103 Q CA -0.129 55.699 55.803 0.042 0.000 0.885 103 Q CB 3.583 32.343 28.738 0.036 0.000 1.379 103 Q HN -0.710 7.584 8.270 0.040 0.000 0.408 104 I N 6.857 127.464 120.570 0.062 0.000 2.339 104 I HA 0.549 4.949 4.170 0.089 -0.177 0.290 104 I C -1.388 174.789 176.117 0.101 0.000 0.994 104 I CA -0.983 60.364 61.300 0.079 0.000 1.191 104 I CB 1.499 39.536 38.000 0.061 0.000 1.343 104 I HN 0.618 8.861 8.210 0.055 0.000 0.458 105 I N 7.355 128.013 120.570 0.147 0.000 2.460 105 I HA 0.555 4.946 4.170 0.141 -0.136 0.298 105 I C -1.163 175.089 176.117 0.224 0.000 0.989 105 I CA -2.638 58.768 61.300 0.176 0.000 1.173 105 I CB 2.019 40.119 38.000 0.167 0.000 1.338 105 I HN 0.341 8.656 8.210 0.174 0.000 0.456 106 V N 6.274 126.314 119.914 0.209 0.000 2.444 106 V HA 0.551 4.960 4.120 0.174 -0.184 0.294 106 V C -2.181 174.049 176.094 0.227 0.000 1.022 106 V CA -1.829 60.593 62.300 0.203 0.000 0.850 106 V CB 3.217 35.145 31.823 0.175 0.000 0.992 106 V HN 0.679 8.991 8.190 0.203 0.000 0.426 107 A N 7.489 130.440 122.820 0.218 0.000 2.303 107 A HA 0.824 5.382 4.320 0.135 -0.157 0.320 107 A C -1.812 175.856 177.584 0.140 0.000 1.192 107 A CA -2.243 49.901 52.037 0.178 0.000 0.821 107 A CB 2.794 21.938 19.000 0.241 0.000 1.188 107 A HN 0.666 8.941 8.150 0.209 0.000 0.492 108 L N 2.033 123.332 121.223 0.127 0.000 2.416 108 L HA 0.191 4.592 4.340 0.101 0.000 0.262 108 L C 1.844 178.759 176.870 0.074 0.000 1.093 108 L CA -0.737 54.169 54.840 0.110 0.000 0.801 108 L CB 1.586 43.733 42.059 0.146 0.000 1.191 108 L HN 0.313 8.613 8.230 0.117 0.000 0.459 109 Q N 1.676 121.513 119.800 0.060 0.000 2.378 109 Q HA -0.235 4.133 4.340 0.047 0.000 0.205 109 Q C 0.430 176.454 176.000 0.039 0.000 0.954 109 Q CA 2.454 58.284 55.803 0.046 0.000 0.901 109 Q CB -0.551 28.210 28.738 0.038 0.000 0.981 109 Q HN 0.867 9.173 8.270 0.060 0.000 0.483 110 D N -4.751 115.674 120.400 0.043 0.000 2.349 110 D HA -0.070 4.586 4.640 0.028 0.000 0.224 110 D C 0.726 177.038 176.300 0.020 0.000 1.029 110 D CA -0.466 53.554 54.000 0.034 0.000 0.879 110 D CB -0.790 40.035 40.800 0.042 0.000 0.906 110 D HN -0.459 7.907 8.370 0.054 0.037 0.528 111 G N -0.324 108.485 108.800 0.015 0.000 2.218 111 G HA2 -0.399 3.557 3.960 -0.005 0.000 0.216 111 G HA3 -0.399 3.552 3.960 -0.015 0.000 0.216 111 G C -0.473 174.395 174.900 -0.053 0.000 0.994 111 G CA -0.331 44.762 45.100 -0.011 0.000 0.637 111 G HN -0.575 7.682 8.290 0.027 0.049 0.505 112 R N 1.167 121.631 120.500 -0.060 0.000 2.491 112 R HA 0.029 4.210 4.340 -0.266 0.000 0.283 112 R C -1.292 174.832 176.300 -0.292 0.000 1.072 112 R CA 0.447 56.417 56.100 -0.218 0.000 1.048 112 R CB 1.177 31.383 30.300 -0.157 0.000 0.983 112 R HN -0.332 8.229 8.270 -0.010 -0.297 0.450 113 V N 3.028 122.641 119.914 -0.502 0.000 2.588 113 V HA 0.742 4.946 4.120 -0.161 -0.180 0.304 113 V C -0.406 175.351 176.094 -0.561 0.000 1.042 113 V CA -1.414 60.681 62.300 -0.341 0.000 0.877 113 V CB 2.378 34.098 31.823 -0.171 0.000 0.996 113 V HN 0.108 7.957 8.190 -0.568 0.000 0.425 114 F N 6.348 126.312 119.950 0.023 0.000 2.577 114 F HA 0.361 4.892 4.527 0.006 0.000 0.318 114 F C -1.343 174.469 175.800 0.019 0.000 1.065 114 F CA -1.575 56.432 58.000 0.012 0.000 0.929 114 F CB 4.381 43.383 39.000 0.003 0.000 1.237 114 F HN 0.624 9.008 8.300 0.140 0.000 0.468 115 E N 1.401 121.725 120.200 0.205 0.000 2.283 115 E HA 0.333 4.889 4.350 0.116 -0.137 0.278 115 E C -1.034 175.633 176.600 0.113 0.000 1.027 115 E CA -0.739 55.737 56.400 0.126 0.000 0.843 115 E CB 1.739 31.487 29.700 0.080 0.000 1.062 115 E HN 0.266 8.749 8.360 0.204 0.000 0.401 116 A N 5.548 128.419 122.820 0.084 0.000 2.325 116 A HA 0.658 5.149 4.320 0.024 -0.156 0.333 116 A C -1.561 176.041 177.584 0.030 0.000 1.155 116 A CA -1.688 50.376 52.037 0.045 0.000 0.814 116 A CB 2.614 21.643 19.000 0.048 0.000 1.206 116 A HN 0.469 8.671 8.150 0.086 0.000 0.482 117 L N -0.251 120.977 121.223 0.009 0.000 2.309 117 L HA 0.362 4.715 4.340 0.022 0.000 0.282 117 L C -0.512 176.375 176.870 0.028 0.000 1.036 117 L CA -1.508 53.341 54.840 0.016 0.000 0.806 117 L CB 1.762 43.824 42.059 0.005 0.000 1.220 117 L HN 0.101 8.324 8.230 -0.011 0.000 0.429 118 L N 3.403 124.646 121.223 0.033 0.000 2.385 118 L HA -0.063 4.303 4.340 0.043 0.000 0.281 118 L C 0.029 176.928 176.870 0.049 0.000 1.106 118 L CA 0.706 55.569 54.840 0.039 0.000 0.856 118 L CB -1.251 40.825 42.059 0.028 0.000 1.186 118 L HN 0.351 8.599 8.230 0.029 0.000 0.453 119 V N 5.744 125.703 119.914 0.075 0.000 2.407 119 V HA -0.219 3.956 4.120 0.093 0.000 0.245 119 V C 0.347 176.470 176.094 0.049 0.000 1.041 119 V CA 1.468 63.823 62.300 0.093 0.000 1.040 119 V CB 0.512 32.437 31.823 0.171 0.000 0.671 119 V HN 0.243 8.484 8.190 0.084 0.000 0.455 120 G N -4.106 104.716 108.800 0.036 0.000 2.328 120 G HA2 0.124 4.092 3.960 0.012 0.000 0.295 120 G HA3 0.124 4.089 3.960 0.008 0.000 0.295 120 G C -3.428 171.478 174.900 0.010 0.000 1.413 120 G CA -0.297 44.811 45.100 0.015 0.000 0.817 120 G HN -0.855 7.460 8.290 0.042 0.000 0.546 121 S N -1.771 113.928 115.700 -0.001 0.000 2.556 121 S HA 0.531 5.105 4.470 0.000 -0.104 0.271 121 S C -2.157 172.436 174.600 -0.012 0.000 1.135 121 S CA -1.198 56.999 58.200 -0.005 0.000 0.858 121 S CB 3.492 66.686 63.200 -0.009 0.000 1.114 121 S HN -0.082 8.226 8.310 -0.004 0.000 0.468 122 D N 0.606 120.999 120.400 -0.011 0.000 2.549 122 D HA 0.406 5.035 4.640 -0.018 0.000 0.251 122 D C 0.343 176.637 176.300 -0.011 0.000 1.153 122 D CA -1.509 52.482 54.000 -0.015 0.000 0.861 122 D CB 2.476 43.266 40.800 -0.017 0.000 1.207 122 D HN -0.031 8.336 8.370 -0.005 0.000 0.543 123 S N 5.327 121.017 115.700 -0.017 0.000 2.428 123 S HA -0.122 4.338 4.470 -0.018 0.000 0.230 123 S C 1.104 175.708 174.600 0.006 0.000 1.014 123 S CA 2.432 60.624 58.200 -0.013 0.000 0.957 123 S CB 0.017 63.202 63.200 -0.024 0.000 0.784 123 S HN 0.375 8.673 8.310 -0.020 0.000 0.499 124 L N 2.366 123.585 121.223 -0.007 0.000 2.083 124 L HA -0.165 4.171 4.340 -0.008 0.000 0.209 124 L C 1.213 178.071 176.870 -0.019 0.000 1.083 124 L CA 2.438 57.269 54.840 -0.014 0.000 0.752 124 L CB 0.637 42.679 42.059 -0.029 0.000 0.899 124 L HN -0.252 8.113 8.230 -0.014 -0.143 0.433 125 T N -7.840 106.704 114.554 -0.017 0.000 3.023 125 T HA -0.071 4.241 4.350 -0.063 0.000 0.253 125 T C 0.331 175.054 174.700 0.038 0.000 1.038 125 T CA -0.464 61.619 62.100 -0.028 0.000 0.962 125 T CB 1.244 70.083 68.868 -0.049 0.000 1.018 125 T HN -0.643 7.589 8.240 -0.012 0.000 0.521 126 D N 0.288 120.726 120.400 0.063 0.000 3.041 126 D HA -0.313 4.391 4.640 0.107 0.000 0.220 126 D C -1.805 174.554 176.300 0.099 0.000 1.157 126 D CA 1.466 55.538 54.000 0.120 0.000 0.876 126 D CB -1.129 39.799 40.800 0.214 0.000 1.107 126 D HN -0.120 8.176 8.370 0.042 0.100 0.422 127 L N -2.383 118.872 121.223 0.053 0.000 2.344 127 L HA 0.495 5.008 4.340 0.058 -0.138 0.272 127 L C -1.707 175.180 176.870 0.028 0.000 1.035 127 L CA -0.782 54.085 54.840 0.044 0.000 0.807 127 L CB 2.558 44.635 42.059 0.028 0.000 1.237 127 L HN -0.955 7.259 8.230 0.035 0.037 0.442 128 A N -0.060 122.778 122.820 0.030 0.000 2.498 128 A HA 0.795 5.233 4.320 0.018 -0.108 0.298 128 A C -2.317 175.288 177.584 0.034 0.000 1.075 128 A CA -1.642 50.410 52.037 0.025 0.000 0.714 128 A CB 3.910 22.924 19.000 0.022 0.000 1.299 128 A HN 0.693 8.766 8.150 0.036 0.098 0.407 129 V N -0.223 119.716 119.914 0.041 0.000 2.628 129 V HA 0.878 5.230 4.120 0.072 -0.189 0.306 129 V C -1.005 175.145 176.094 0.093 0.000 1.045 129 V CA -1.938 60.404 62.300 0.071 0.000 0.905 129 V CB 2.679 34.540 31.823 0.063 0.000 0.997 129 V HN 0.258 8.470 8.190 0.036 0.000 0.436 130 L N 3.924 125.213 121.223 0.110 0.000 2.279 130 L HA 0.930 5.486 4.340 0.072 -0.172 0.262 130 L C -1.413 175.494 176.870 0.063 0.000 1.019 130 L CA -2.144 52.742 54.840 0.077 0.000 0.823 130 L CB 4.020 46.105 42.059 0.042 0.000 1.358 130 L HN 0.715 9.015 8.230 0.117 0.000 0.432 131 K N 0.658 121.035 120.400 -0.037 0.000 2.507 131 K HA 0.566 4.873 4.320 -0.334 -0.188 0.251 131 K C -1.672 174.815 176.600 -0.189 0.000 0.943 131 K CA -1.128 55.026 56.287 -0.222 0.000 0.794 131 K CB 2.873 35.203 32.500 -0.283 0.000 1.188 131 K HN 0.138 8.375 8.250 -0.020 0.000 0.428 132 I N 2.003 122.415 120.570 -0.263 0.000 2.465 132 I HA 0.601 4.659 4.170 -0.186 0.000 0.291 132 I C -1.631 174.274 176.117 -0.353 0.000 1.014 132 I CA -1.760 59.373 61.300 -0.279 0.000 1.093 132 I CB 3.243 41.019 38.000 -0.372 0.000 1.267 132 I HN 0.017 8.038 8.210 -0.314 0.000 0.431 133 N N 6.564 125.105 118.700 -0.265 0.000 2.454 133 N HA -0.121 4.492 4.740 -0.212 0.000 0.260 133 N C -0.394 174.942 175.510 -0.291 0.000 1.218 133 N CA 0.750 53.669 53.050 -0.218 0.000 0.904 133 N CB -0.155 38.271 38.487 -0.102 0.000 1.065 133 N HN 0.344 8.610 8.380 -0.190 0.000 0.462 134 A N 5.100 127.786 122.820 -0.223 0.000 3.159 134 A HA 0.323 4.497 4.320 -0.244 0.000 0.330 134 A C -0.034 177.494 177.584 -0.094 0.000 1.032 134 A CA -0.536 51.379 52.037 -0.204 0.000 0.841 134 A CB 0.131 18.995 19.000 -0.226 0.000 1.093 134 A HN 0.284 8.325 8.150 -0.181 0.000 0.478 135 T N 1.525 116.050 114.554 -0.047 0.000 2.708 135 T HA -0.232 4.105 4.350 -0.021 0.000 0.266 135 T C 0.756 175.454 174.700 -0.003 0.000 1.037 135 T CA 1.565 63.656 62.100 -0.015 0.000 1.146 135 T CB 0.335 69.207 68.868 0.007 0.000 0.865 135 T HN -0.090 8.127 8.240 -0.039 0.000 0.435 136 G N 0.878 109.688 108.800 0.018 0.000 2.491 136 G HA2 -0.034 3.944 3.960 0.030 0.000 0.242 136 G HA3 -0.034 3.964 3.960 0.064 0.000 0.242 136 G C -0.179 174.726 174.900 0.009 0.000 1.266 136 G CA -0.750 44.370 45.100 0.033 0.000 0.844 136 G HN -0.537 7.773 8.290 0.032 0.000 0.571 137 G N 1.155 109.963 108.800 0.014 0.000 2.432 137 G HA2 -0.081 3.875 3.960 -0.007 0.000 0.239 137 G HA3 -0.081 3.885 3.960 0.009 0.000 0.239 137 G C -1.591 173.314 174.900 0.007 0.000 1.291 137 G CA -0.298 44.804 45.100 0.005 0.000 0.863 137 G HN 0.092 8.394 8.290 0.020 0.000 0.560 138 L N 3.979 125.196 121.223 -0.011 0.000 2.334 138 L HA 0.421 4.768 4.340 0.011 0.000 0.273 138 L C -1.908 174.964 176.870 0.004 0.000 1.013 138 L CA -3.136 51.699 54.840 -0.009 0.000 0.816 138 L CB 1.867 43.895 42.059 -0.052 0.000 1.278 138 L HN -0.373 8.145 8.230 -0.018 -0.299 0.431 139 P HA 0.128 4.556 4.420 0.013 0.000 0.275 139 P C -1.573 175.732 177.300 0.009 0.000 1.227 139 P CA -0.528 62.581 63.100 0.015 0.000 0.781 139 P CB 0.286 32.000 31.700 0.023 0.000 0.906 140 T N -2.664 111.894 114.554 0.007 0.000 2.908 140 T HA 0.137 4.617 4.350 0.008 -0.126 0.290 140 T C -0.138 174.563 174.700 0.001 0.000 1.034 140 T CA -2.646 59.457 62.100 0.006 0.000 1.010 140 T CB 3.283 72.155 68.868 0.007 0.000 1.068 140 T HN -0.313 7.931 8.240 0.006 0.000 0.481 141 I N 2.262 122.832 120.570 -0.000 0.000 2.496 141 I HA 0.163 4.326 4.170 -0.013 0.000 0.285 141 I C -2.069 174.033 176.117 -0.027 0.000 1.080 141 I CA -2.837 58.455 61.300 -0.012 0.000 1.404 141 I CB 1.357 39.351 38.000 -0.011 0.000 1.403 141 I HN -0.212 8.001 8.210 0.005 0.000 0.539 142 P HA 0.070 4.465 4.420 -0.042 0.000 0.271 142 P C -1.797 175.444 177.300 -0.100 0.000 1.220 142 P CA -0.191 62.876 63.100 -0.056 0.000 0.768 142 P CB 0.472 32.139 31.700 -0.055 0.000 0.848 143 I N 2.673 123.185 120.570 -0.096 0.000 2.466 143 I HA 0.151 4.161 4.170 -0.266 0.000 0.289 143 I C -1.293 174.748 176.117 -0.127 0.000 1.026 143 I CA -0.514 60.693 61.300 -0.154 0.000 1.078 143 I CB 3.374 41.334 38.000 -0.065 0.000 1.249 143 I HN -0.009 8.163 8.210 -0.064 0.000 0.429 144 N N 7.525 126.097 118.700 -0.214 0.000 2.621 144 N HA 0.120 4.833 4.740 -0.045 0.000 0.237 144 N C 0.128 175.637 175.510 -0.001 0.000 0.997 144 N CA -1.504 51.486 53.050 -0.100 0.000 0.918 144 N CB 0.147 38.573 38.487 -0.101 0.000 1.122 144 N HN 0.274 8.434 8.380 -0.367 0.000 0.510 145 A N 5.280 128.169 122.820 0.114 0.000 2.070 145 A HA -0.165 4.455 4.320 0.500 0.000 0.220 145 A C 0.617 178.326 177.584 0.209 0.000 1.159 145 A CA 2.062 54.254 52.037 0.258 0.000 0.656 145 A CB -0.066 19.026 19.000 0.153 0.000 0.800 145 A HN 0.736 8.931 8.150 0.075 0.000 0.453 146 R N -4.143 116.431 120.500 0.124 0.000 2.300 146 R HA 0.031 4.422 4.340 0.084 0.000 0.199 146 R C -0.052 176.304 176.300 0.093 0.000 0.920 146 R CA -0.258 55.896 56.100 0.090 0.000 1.046 146 R CB 0.422 30.754 30.300 0.054 0.000 0.984 146 R HN -0.624 7.885 8.270 0.091 -0.185 0.493 147 R N 1.721 122.290 120.500 0.114 0.000 2.401 147 R HA -0.118 4.251 4.340 0.048 0.000 0.299 147 R C -0.896 175.474 176.300 0.116 0.000 1.064 147 R CA 0.116 56.262 56.100 0.077 0.000 1.000 147 R CB 0.031 30.330 30.300 -0.002 0.000 0.973 147 R HN -0.623 7.661 8.270 0.123 0.060 0.438 148 V N 7.214 127.118 119.914 -0.016 0.000 2.328 148 V HA 0.253 4.350 4.120 -0.039 0.000 0.278 148 V C -1.513 174.341 176.094 -0.399 0.000 1.021 148 V CA -3.126 59.090 62.300 -0.141 0.000 0.838 148 V CB 1.052 32.780 31.823 -0.159 0.000 0.999 148 V HN 0.119 8.289 8.190 -0.034 0.000 0.447 149 P HA 0.022 4.366 4.420 -0.127 0.000 0.267 149 P C -1.617 175.507 177.300 -0.293 0.000 1.205 149 P CA -0.172 62.830 63.100 -0.164 0.000 0.765 149 P CB 0.506 32.214 31.700 0.013 0.000 0.828 150 H N 3.004 122.100 119.070 0.043 0.000 2.569 150 H HA 0.252 4.827 4.556 0.031 0.000 0.357 150 H C -0.113 175.227 175.328 0.021 0.000 1.153 150 H CA -1.371 54.695 56.048 0.029 0.000 1.193 150 H CB 3.857 33.633 29.762 0.023 0.000 1.602 150 H HN -0.204 8.311 8.280 -0.016 -0.245 0.523 151 I N 2.596 123.259 120.570 0.155 0.000 2.668 151 I HA -0.627 3.691 4.170 0.064 -0.110 0.285 151 I C 1.160 177.317 176.117 0.065 0.000 1.168 151 I CA 2.225 63.574 61.300 0.082 0.000 1.424 151 I CB -0.523 37.514 38.000 0.062 0.000 1.377 151 I HN 0.567 8.880 8.210 0.172 0.000 0.560 152 G N 7.100 115.923 108.800 0.039 0.000 2.195 152 G HA2 -0.384 3.583 3.960 0.011 0.000 0.224 152 G HA3 -0.384 3.592 3.960 0.025 0.000 0.224 152 G C -0.511 174.404 174.900 0.025 0.000 0.990 152 G CA -0.619 44.496 45.100 0.024 0.000 0.639 152 G HN 0.462 8.770 8.290 0.029 0.000 0.514 153 D N 2.025 122.449 120.400 0.041 0.000 2.414 153 D HA -0.014 4.647 4.640 0.036 0.000 0.242 153 D C -0.164 176.123 176.300 -0.021 0.000 1.129 153 D CA 1.099 55.116 54.000 0.028 0.000 0.885 153 D CB 0.743 41.569 40.800 0.044 0.000 1.198 153 D HN -0.430 7.918 8.370 0.058 0.057 0.437 154 V N 2.065 121.949 119.914 -0.051 0.000 2.521 154 V HA 0.034 4.224 4.120 -0.135 -0.151 0.286 154 V C -0.190 175.801 176.094 -0.172 0.000 1.034 154 V CA 0.705 62.919 62.300 -0.144 0.000 1.045 154 V CB 0.174 31.859 31.823 -0.231 0.000 0.974 154 V HN 0.183 8.355 8.190 -0.030 0.000 0.480 155 V N 1.040 120.849 119.914 -0.176 0.000 2.914 155 V HA 0.970 5.160 4.120 -0.143 -0.156 0.314 155 V C -1.674 174.320 176.094 -0.167 0.000 1.084 155 V CA -3.377 58.836 62.300 -0.145 0.000 0.963 155 V CB 3.893 35.668 31.823 -0.080 0.000 1.025 155 V HN 0.341 8.430 8.190 -0.169 0.000 0.432 156 L N 0.698 121.844 121.223 -0.129 0.000 2.356 156 L HA 0.839 5.319 4.340 -0.104 -0.202 0.277 156 L C -0.930 175.906 176.870 -0.057 0.000 0.996 156 L CA -1.987 52.794 54.840 -0.098 0.000 0.822 156 L CB 2.688 44.698 42.059 -0.083 0.000 1.256 156 L HN 0.527 8.691 8.230 -0.110 0.000 0.413 157 A N 4.089 126.882 122.820 -0.045 0.000 2.328 157 A HA 0.743 5.221 4.320 -0.029 -0.175 0.284 157 A C -1.223 176.348 177.584 -0.022 0.000 1.160 157 A CA -1.545 50.473 52.037 -0.032 0.000 0.818 157 A CB 1.654 20.634 19.000 -0.033 0.000 1.087 157 A HN 0.508 8.629 8.150 -0.048 0.000 0.504 158 I N 2.748 123.306 120.570 -0.019 0.000 2.418 158 I HA 0.804 5.172 4.170 -0.010 -0.204 0.287 158 I C -0.610 175.494 176.117 -0.022 0.000 1.008 158 I CA -1.506 59.785 61.300 -0.014 0.000 1.104 158 I CB 2.189 40.184 38.000 -0.009 0.000 1.264 158 I HN 0.311 8.509 8.210 -0.019 0.000 0.438 159 G N 4.958 113.743 108.800 -0.025 0.000 2.490 159 G HA2 0.233 4.164 3.960 -0.048 0.000 0.308 159 G HA3 0.233 4.159 3.960 -0.057 0.000 0.308 159 G C -3.337 171.535 174.900 -0.046 0.000 1.286 159 G CA 0.620 45.693 45.100 -0.046 0.000 0.825 159 G HN -0.292 7.988 8.290 -0.018 0.000 0.479 160 N N 0.354 119.007 118.700 -0.079 0.000 2.886 160 N HA 0.668 5.391 4.740 -0.028 0.000 0.285 160 N C -1.918 173.542 175.510 -0.085 0.000 1.706 160 N CA -3.741 49.269 53.050 -0.066 0.000 0.904 160 N CB 1.894 40.324 38.487 -0.096 0.000 1.224 160 N HN -0.174 8.143 8.380 -0.106 0.000 0.488 161 P HA 0.064 4.529 4.420 -0.267 -0.205 0.271 161 P C 0.034 177.346 177.300 0.020 0.000 1.220 161 P CA 0.234 63.259 63.100 -0.125 0.000 0.768 161 P CB 0.002 31.687 31.700 -0.025 0.000 0.848 162 Y N 0.072 120.414 120.300 0.071 0.000 4.324 162 Y HA -0.517 4.119 4.550 0.144 0.000 0.224 162 Y C -1.030 174.918 175.900 0.079 0.000 1.113 162 Y CA 1.420 59.578 58.100 0.097 0.000 1.887 162 Y CB -2.232 36.272 38.460 0.072 0.000 1.602 162 Y HN 0.430 8.457 8.280 -0.422 0.000 0.654 163 N N -3.123 115.663 118.700 0.144 0.000 2.735 163 N HA -0.340 4.608 4.740 0.107 -0.144 0.248 163 N C 0.262 175.854 175.510 0.136 0.000 1.083 163 N CA 1.109 54.242 53.050 0.139 0.000 0.703 163 N CB -0.857 37.737 38.487 0.179 0.000 1.005 163 N HN -0.423 7.954 8.380 0.070 0.045 0.550 164 L N -1.993 119.308 121.223 0.130 0.000 2.395 164 L HA -0.112 4.288 4.340 0.100 0.000 0.218 164 L C 0.904 177.823 176.870 0.080 0.000 1.130 164 L CA 1.101 56.005 54.840 0.105 0.000 0.826 164 L CB 0.318 42.444 42.059 0.111 0.000 0.941 164 L HN -0.476 7.816 8.230 0.137 0.020 0.451 165 G N -3.055 105.791 108.800 0.077 0.000 2.555 165 G HA2 -0.301 3.702 3.960 0.071 0.000 0.686 165 G HA3 -0.301 3.695 3.960 0.060 0.000 0.686 165 G C -2.234 172.692 174.900 0.043 0.000 1.275 165 G CA -0.943 44.195 45.100 0.063 0.000 0.871 165 G HN -0.505 8.069 8.290 0.079 -0.237 0.603 166 Q N 1.837 121.658 119.800 0.035 0.000 2.269 166 Q HA -0.142 4.406 4.340 0.010 -0.202 0.300 166 Q C -0.224 175.791 176.000 0.024 0.000 1.070 166 Q CA 1.380 57.196 55.803 0.021 0.000 0.957 166 Q CB 0.442 29.192 28.738 0.021 0.000 1.131 166 Q HN 0.353 8.647 8.270 0.039 0.000 0.377 167 T N 9.400 123.964 114.554 0.018 0.000 2.824 167 T HA 0.245 4.612 4.350 0.028 0.000 0.282 167 T C -1.825 172.884 174.700 0.015 0.000 0.993 167 T CA -0.795 61.319 62.100 0.023 0.000 0.967 167 T CB 1.857 70.743 68.868 0.031 0.000 0.960 167 T HN 0.576 8.821 8.240 0.009 0.000 0.441 168 I N 5.257 125.839 120.570 0.020 0.000 2.339 168 I HA 0.728 5.105 4.170 0.007 -0.202 0.290 168 I C 0.227 176.353 176.117 0.016 0.000 0.994 168 I CA -2.432 58.877 61.300 0.015 0.000 1.191 168 I CB 0.201 38.216 38.000 0.025 0.000 1.343 168 I HN 0.359 8.584 8.210 0.025 0.000 0.458 169 T N 4.902 119.457 114.554 0.001 0.000 2.924 169 T HA 0.372 4.727 4.350 0.009 0.000 0.291 169 T C -1.917 172.766 174.700 -0.027 0.000 1.045 169 T CA -2.108 59.990 62.100 -0.003 0.000 1.015 169 T CB 2.494 71.360 68.868 -0.004 0.000 1.103 169 T HN 0.160 8.396 8.240 -0.007 0.000 0.496 170 Q N 4.161 123.943 119.800 -0.030 0.000 2.365 170 Q HA 0.768 5.213 4.340 -0.109 -0.170 0.269 170 Q C -1.071 174.887 176.000 -0.070 0.000 1.061 170 Q CA -1.174 54.584 55.803 -0.075 0.000 0.816 170 Q CB 3.614 32.312 28.738 -0.068 0.000 1.325 170 Q HN 0.032 8.294 8.270 -0.014 0.000 0.446 171 G N 3.674 112.414 108.800 -0.099 0.000 2.772 171 G HA2 0.709 4.632 3.960 -0.062 0.000 0.284 171 G HA3 0.709 4.810 3.960 -0.070 -0.182 0.284 171 G C -2.705 172.141 174.900 -0.090 0.000 1.217 171 G CA 0.250 45.303 45.100 -0.078 0.000 0.831 171 G HN 0.415 8.628 8.290 -0.128 0.000 0.523 172 I N -5.663 114.867 120.570 -0.067 0.000 3.145 172 I HA 1.016 5.329 4.170 -0.065 -0.182 0.313 172 I C -0.643 175.448 176.117 -0.044 0.000 1.122 172 I CA -2.824 58.443 61.300 -0.055 0.000 0.987 172 I CB 4.490 42.469 38.000 -0.035 0.000 1.236 172 I HN 0.416 8.898 8.210 -0.062 -0.308 0.453 173 I N 1.622 122.178 120.570 -0.022 0.000 2.505 173 I HA -0.071 4.225 4.170 -0.013 -0.135 0.287 173 I C 0.491 176.604 176.117 -0.007 0.000 1.104 173 I CA 1.146 62.443 61.300 -0.006 0.000 1.387 173 I CB -0.634 37.379 38.000 0.021 0.000 1.404 173 I HN -0.007 8.193 8.210 -0.016 0.000 0.528 174 S N 9.027 124.713 115.700 -0.024 0.000 2.486 174 S HA 0.040 4.495 4.470 -0.025 0.000 0.220 174 S C -0.991 173.607 174.600 -0.004 0.000 1.011 174 S CA 0.609 58.791 58.200 -0.030 0.000 0.921 174 S CB 0.726 63.882 63.200 -0.073 0.000 0.785 174 S HN 0.687 8.862 8.310 -0.034 0.114 0.517 175 A N -1.934 120.899 122.820 0.021 0.000 2.549 175 A HA 0.286 4.633 4.320 0.044 0.000 0.291 175 A C -2.816 174.815 177.584 0.080 0.000 1.034 175 A CA 0.108 52.175 52.037 0.050 0.000 0.655 175 A CB 1.436 20.470 19.000 0.056 0.000 1.299 175 A HN -0.899 7.265 8.150 0.023 0.000 0.427 176 T N -3.637 110.966 114.554 0.081 0.000 2.887 176 T HA 0.353 4.769 4.350 0.110 0.000 0.292 176 T C 0.353 175.102 174.700 0.081 0.000 1.087 176 T CA -2.273 59.879 62.100 0.086 0.000 1.009 176 T CB 2.065 70.968 68.868 0.057 0.000 1.203 176 T HN 0.097 8.378 8.240 0.069 0.000 0.518 177 G N -0.562 108.279 108.800 0.069 0.000 2.314 177 G HA2 -0.348 3.832 3.960 0.013 0.000 0.292 177 G HA3 -0.348 3.627 3.960 0.025 0.000 0.292 177 G C -0.370 174.566 174.900 0.060 0.000 1.059 177 G CA 0.587 45.710 45.100 0.039 0.000 0.982 177 G HN 0.257 8.587 8.290 0.066 0.000 0.505 178 R N -0.541 120.032 120.500 0.122 0.000 2.596 178 R HA 0.281 4.686 4.340 0.108 0.000 0.267 178 R C 0.126 176.489 176.300 0.106 0.000 1.026 178 R CA -1.821 54.368 56.100 0.148 0.000 1.087 178 R CB 1.351 31.827 30.300 0.294 0.000 1.132 178 R HN -0.427 8.013 8.270 0.162 -0.073 0.531 189 F N 0.469 120.422 119.950 0.005 0.000 2.563 189 F HA 0.482 5.180 4.527 0.068 -0.130 0.316 189 F C -0.267 175.608 175.800 0.125 0.000 1.076 189 F CA -1.820 56.225 58.000 0.076 0.000 0.921 189 F CB 3.959 43.022 39.000 0.104 0.000 1.209 189 F HN -0.361 8.125 8.300 0.122 -0.113 0.462 190 L N 1.119 122.560 121.223 0.364 0.000 2.380 190 L HA 0.131 4.711 4.340 0.197 -0.121 0.273 190 L C -0.969 176.066 176.870 0.275 0.000 1.138 190 L CA -0.317 54.670 54.840 0.245 0.000 0.832 190 L CB 0.643 42.800 42.059 0.163 0.000 1.124 190 L HN 0.441 8.887 8.230 0.360 0.000 0.454 191 Q N 3.498 123.392 119.800 0.156 0.000 2.274 191 Q HA 0.847 5.277 4.340 -0.176 -0.196 0.260 191 Q C -0.930 175.006 176.000 -0.107 0.000 0.974 191 Q CA -1.595 54.175 55.803 -0.055 0.000 0.876 191 Q CB 3.542 32.241 28.738 -0.066 0.000 1.297 191 Q HN 0.143 8.494 8.270 0.136 0.000 0.446 192 T N 4.046 118.477 114.554 -0.205 0.000 2.894 192 T HA 0.678 5.126 4.350 -0.104 -0.161 0.309 192 T C -1.688 172.913 174.700 -0.165 0.000 1.208 192 T CA -2.495 59.522 62.100 -0.138 0.000 1.016 192 T CB 1.556 70.371 68.868 -0.089 0.000 1.192 192 T HN 0.518 8.564 8.240 -0.323 0.000 0.491 193 D N 4.861 125.191 120.400 -0.116 0.000 2.368 193 D HA 0.249 4.898 4.640 -0.120 -0.082 0.218 193 D C -0.072 176.183 176.300 -0.074 0.000 1.112 193 D CA -1.772 52.167 54.000 -0.101 0.000 0.834 193 D CB -0.232 40.520 40.800 -0.081 0.000 0.953 193 D HN -0.040 8.273 8.370 -0.096 0.000 0.505 194 A N 1.214 123.989 122.820 -0.075 0.000 2.522 194 A HA -0.153 4.305 4.320 -0.052 -0.169 0.256 194 A C -0.504 177.050 177.584 -0.051 0.000 1.086 194 A CA 0.814 52.815 52.037 -0.059 0.000 0.763 194 A CB 0.348 19.311 19.000 -0.063 0.000 1.024 194 A HN -0.764 7.287 8.150 -0.082 0.049 0.502 195 S N 2.268 117.950 115.700 -0.031 0.000 2.546 195 S HA -0.100 4.356 4.470 -0.022 0.000 0.290 195 S C -1.028 173.562 174.600 -0.017 0.000 1.262 195 S CA 0.905 59.095 58.200 -0.017 0.000 1.083 195 S CB 0.106 63.309 63.200 0.005 0.000 0.859 195 S HN 0.174 8.469 8.310 -0.025 0.000 0.495 196 I N 7.158 127.714 120.570 -0.023 0.000 2.465 196 I HA 0.146 4.295 4.170 -0.035 0.000 0.291 196 I C -1.758 174.345 176.117 -0.022 0.000 1.014 196 I CA -1.111 60.169 61.300 -0.033 0.000 1.093 196 I CB 1.812 39.781 38.000 -0.052 0.000 1.267 196 I HN 0.326 8.523 8.210 -0.023 0.000 0.431 197 N N 4.537 123.207 118.700 -0.050 0.000 2.629 197 N HA 0.298 5.021 4.740 -0.028 0.000 0.279 197 N C -1.621 173.769 175.510 -0.200 0.000 1.344 197 N CA -1.598 51.401 53.050 -0.084 0.000 0.789 197 N CB 4.265 42.726 38.487 -0.044 0.000 1.508 197 N HN -0.044 8.576 8.380 -0.069 -0.281 0.516 198 H N 0.266 119.091 119.070 -0.409 0.000 3.107 198 H HA -0.229 4.178 4.556 -0.250 0.000 0.301 198 H C 0.660 175.718 175.328 -0.450 0.000 0.981 198 H CA 2.477 58.285 56.048 -0.401 0.000 1.443 198 H CB 0.531 30.054 29.762 -0.400 0.000 1.479 198 H HN 0.470 8.607 8.280 -0.238 0.000 0.564 199 G N 5.705 114.105 108.800 -0.666 0.000 2.253 199 G HA2 -0.432 3.395 3.960 -0.469 0.000 0.209 199 G HA3 -0.432 3.470 3.960 -0.364 -0.160 0.209 199 G C -0.665 174.071 174.900 -0.272 0.000 0.997 199 G CA -0.029 44.807 45.100 -0.439 0.000 0.640 199 G HN 0.324 8.172 8.290 -0.737 0.000 0.496 203 G N 0.698 109.487 108.800 -0.019 0.000 2.543 203 G HA2 0.459 4.409 3.960 -0.018 0.000 0.290 203 G HA3 0.459 4.532 3.960 -0.029 -0.131 0.290 203 G C -2.351 172.550 174.900 0.002 0.000 1.310 203 G CA -1.069 44.021 45.100 -0.018 0.000 1.025 203 G HN -0.451 7.822 8.290 -0.029 0.000 0.502 204 A N -2.174 120.645 122.820 -0.002 0.000 2.312 204 A HA 0.582 5.046 4.320 0.017 -0.134 0.326 204 A C -2.178 175.405 177.584 -0.002 0.000 1.172 204 A CA -1.863 50.177 52.037 0.004 0.000 0.821 204 A CB 2.888 21.886 19.000 -0.003 0.000 1.166 204 A HN -0.137 8.008 8.150 -0.009 0.000 0.493 205 L N 4.465 125.692 121.223 0.007 0.000 2.298 205 L HA 0.725 5.231 4.340 -0.018 -0.176 0.284 205 L C -1.684 175.174 176.870 -0.020 0.000 1.013 205 L CA -1.074 53.763 54.840 -0.005 0.000 0.824 205 L CB 2.866 44.934 42.059 0.015 0.000 1.221 205 L HN -0.117 8.126 8.230 0.022 0.000 0.418 206 V N 1.445 121.334 119.914 -0.042 0.000 2.960 206 V HA 0.977 5.208 4.120 -0.073 -0.155 0.315 206 V C -1.530 174.521 176.094 -0.071 0.000 1.087 206 V CA -3.847 58.416 62.300 -0.062 0.000 0.982 206 V CB 3.785 35.574 31.823 -0.057 0.000 1.039 206 V HN 0.395 8.558 8.190 -0.044 0.000 0.437 207 N N 0.708 119.363 118.700 -0.075 0.000 2.418 207 N HA 0.507 5.362 4.740 -0.085 -0.166 0.283 207 N C 1.856 177.330 175.510 -0.059 0.000 1.267 207 N CA -1.702 51.306 53.050 -0.071 0.000 0.975 207 N CB 0.965 39.421 38.487 -0.052 0.000 1.167 207 N HN -0.169 8.160 8.380 -0.084 0.000 0.581 208 S N -0.950 114.726 115.700 -0.040 0.000 2.547 208 S HA -0.143 4.340 4.470 0.022 0.000 0.235 208 S C 0.648 175.283 174.600 0.058 0.000 0.980 208 S CA 2.108 60.327 58.200 0.033 0.000 0.941 208 S CB -0.785 62.488 63.200 0.121 0.000 0.763 208 S HN 0.397 8.685 8.310 -0.038 0.000 0.532 209 L N -2.487 118.745 121.223 0.015 0.000 2.607 209 L HA 0.215 4.569 4.340 0.024 0.000 0.228 209 L C 0.622 177.486 176.870 -0.009 0.000 1.123 209 L CA -0.223 54.622 54.840 0.008 0.000 0.890 209 L CB 0.128 42.183 42.059 -0.005 0.000 1.103 209 L HN -0.612 7.813 8.230 -0.005 -0.197 0.468 210 G N -1.846 106.942 108.800 -0.020 0.000 2.157 210 G HA2 -0.469 3.476 3.960 -0.026 0.000 0.248 210 G HA3 -0.469 3.479 3.960 -0.020 0.000 0.248 210 G C -0.545 174.317 174.900 -0.064 0.000 0.979 210 G CA -0.013 45.069 45.100 -0.030 0.000 0.650 210 G HN -0.092 8.079 8.290 -0.021 0.107 0.529 211 E N -0.009 120.136 120.200 -0.093 0.000 2.289 211 E HA -0.107 4.301 4.350 -0.158 -0.153 0.278 211 E C -0.523 175.949 176.600 -0.213 0.000 1.032 211 E CA -0.634 55.668 56.400 -0.163 0.000 0.854 211 E CB 0.935 30.521 29.700 -0.189 0.000 1.046 211 E HN -0.616 7.894 8.360 -0.081 -0.199 0.409 212 L N 5.299 126.362 121.223 -0.267 0.000 2.534 212 L HA -0.236 4.021 4.340 -0.138 0.000 0.271 212 L C -0.828 175.818 176.870 -0.374 0.000 1.178 212 L CA 1.427 56.122 54.840 -0.242 0.000 0.907 212 L CB 0.134 42.087 42.059 -0.175 0.000 1.164 212 L HN 0.056 8.127 8.230 -0.265 0.000 0.482 213 M N 3.924 123.460 119.600 -0.106 0.000 2.615 213 M HA 0.182 4.725 4.480 0.106 0.000 0.262 213 M C 0.050 176.506 176.300 0.260 0.000 1.198 213 M CA 0.053 55.401 55.300 0.080 0.000 1.165 213 M CB 1.728 34.356 32.600 0.046 0.000 1.310 213 M HN 0.651 8.906 8.290 -0.058 0.000 0.494 214 G N -3.900 104.996 108.800 0.159 0.000 2.488 214 G HA2 0.305 4.510 3.960 0.209 0.000 0.301 214 G HA3 0.305 4.350 3.960 0.161 0.011 0.301 214 G C -2.920 172.050 174.900 0.117 0.000 1.339 214 G CA 0.471 45.672 45.100 0.168 0.000 0.803 214 G HN -0.524 7.822 8.290 0.094 0.000 0.482 215 I N -0.946 119.698 120.570 0.123 0.000 2.382 215 I HA 0.576 4.967 4.170 0.073 -0.177 0.285 215 I C -0.652 175.530 176.117 0.109 0.000 1.007 215 I CA -3.483 57.875 61.300 0.097 0.000 1.142 215 I CB 0.605 38.660 38.000 0.092 0.000 1.289 215 I HN -0.111 8.252 8.210 0.143 -0.068 0.453 216 N N 8.726 127.466 118.700 0.067 0.000 2.454 216 N HA -0.053 4.853 4.740 0.070 -0.124 0.260 216 N C -0.111 175.431 175.510 0.054 0.000 1.218 216 N CA 1.530 54.611 53.050 0.052 0.000 0.904 216 N CB 0.445 38.935 38.487 0.006 0.000 1.065 216 N HN 0.184 8.591 8.380 0.046 0.000 0.462 217 T N 3.506 118.098 114.554 0.063 0.000 3.254 217 T HA 0.397 4.979 4.350 0.056 -0.198 0.267 217 T C -0.417 174.281 174.700 -0.003 0.000 0.946 217 T CA 0.604 62.745 62.100 0.068 0.000 0.991 217 T CB 2.309 71.301 68.868 0.206 0.000 1.205 217 T HN 0.257 8.529 8.240 0.053 0.000 0.494 218 L N 0.195 121.400 121.223 -0.031 0.000 2.371 218 L HA 0.361 4.677 4.340 -0.041 0.000 0.262 218 L C -2.049 174.835 176.870 0.023 0.000 1.006 218 L CA -0.950 53.874 54.840 -0.026 0.000 0.818 218 L CB 3.942 45.957 42.059 -0.074 0.000 1.354 218 L HN -0.712 7.500 8.230 -0.029 0.000 0.415 219 S N -0.089 115.630 115.700 0.031 0.000 2.561 219 S HA 0.201 4.681 4.470 0.018 0.000 0.303 219 S C -0.938 173.728 174.600 0.110 0.000 1.110 219 S CA -1.459 56.766 58.200 0.042 0.000 1.034 219 S CB 1.533 64.736 63.200 0.006 0.000 1.010 219 S HN 0.059 8.376 8.310 0.011 0.000 0.482 220 F N 8.743 128.706 119.950 0.022 0.000 2.502 220 F HA -0.099 4.490 4.527 0.103 0.000 0.371 220 F C -1.407 174.406 175.800 0.023 0.000 1.083 220 F CA 1.153 59.196 58.000 0.072 0.000 1.174 220 F CB 0.763 39.830 39.000 0.112 0.000 1.096 220 F HN -0.037 8.414 8.300 0.251 0.000 0.545 221 D N 6.341 126.492 120.400 -0.416 0.000 2.527 221 D HA 0.058 4.631 4.640 -0.111 0.000 0.224 221 D C -0.798 175.286 176.300 -0.362 0.000 1.217 221 D CA -0.742 53.105 54.000 -0.256 0.000 0.819 221 D CB 0.951 41.670 40.800 -0.135 0.000 1.061 221 D HN 0.181 8.207 8.370 -0.573 0.000 0.515 222 K N 0.290 120.227 120.400 -0.772 0.000 2.383 222 K HA -0.048 4.096 4.320 -0.293 0.000 0.286 222 K C -0.728 175.786 176.600 -0.143 0.000 1.051 222 K CA 0.466 56.478 56.287 -0.458 0.000 0.974 222 K CB 0.321 32.507 32.500 -0.524 0.000 0.968 222 K HN -0.460 6.930 8.250 -1.432 0.000 0.475 223 S N 3.195 118.862 115.700 -0.054 0.000 2.541 223 S HA 0.095 4.722 4.470 0.064 -0.119 0.283 223 S C 0.079 174.700 174.600 0.035 0.000 1.196 223 S CA -1.268 56.945 58.200 0.022 0.000 1.062 223 S CB 1.392 64.596 63.200 0.007 0.000 1.009 223 S HN -0.052 8.215 8.310 -0.072 0.000 0.502 224 N N 6.695 125.430 118.700 0.059 0.000 2.148 224 N HA -0.097 4.673 4.740 0.050 0.000 0.186 224 N C -0.167 175.361 175.510 0.030 0.000 1.031 224 N CA 1.300 54.380 53.050 0.049 0.000 0.848 224 N CB 0.884 39.404 38.487 0.055 0.000 1.005 224 N HN 0.212 9.062 8.380 0.072 -0.427 0.427 225 D N -5.248 115.168 120.400 0.026 0.000 2.996 225 D HA 0.158 4.806 4.640 0.015 0.000 0.343 225 D C 0.417 176.725 176.300 0.014 0.000 1.574 225 D CA -0.571 53.440 54.000 0.018 0.000 0.773 225 D CB -0.111 40.699 40.800 0.017 0.000 1.241 225 D HN -0.412 8.258 8.370 0.030 -0.282 0.469 226 G N -0.430 108.379 108.800 0.014 0.000 2.278 226 G HA2 -0.366 3.598 3.960 0.006 0.000 0.210 226 G HA3 -0.366 3.599 3.960 0.009 0.000 0.210 226 G C -0.220 174.689 174.900 0.014 0.000 1.000 226 G CA 0.094 45.200 45.100 0.010 0.000 0.635 226 G HN -0.152 8.147 8.290 0.015 0.000 0.495 227 E N 2.856 123.069 120.200 0.021 0.000 2.409 227 E HA -0.045 4.317 4.350 0.021 0.000 0.257 227 E C -1.403 175.217 176.600 0.032 0.000 1.150 227 E CA 0.128 56.544 56.400 0.026 0.000 0.942 227 E CB 0.478 30.197 29.700 0.031 0.000 0.979 227 E HN -0.269 8.106 8.360 0.024 0.000 0.447 228 T N 3.423 117.997 114.554 0.033 0.000 2.758 228 T HA 0.355 4.727 4.350 0.036 0.000 0.285 228 T C -1.762 172.973 174.700 0.059 0.000 0.981 228 T CA -2.686 59.437 62.100 0.038 0.000 0.965 228 T CB 0.547 69.431 68.868 0.027 0.000 0.927 228 T HN 0.010 8.267 8.240 0.029 0.000 0.448 229 P HA 0.037 4.532 4.420 0.126 0.000 0.268 229 P C -1.845 175.506 177.300 0.084 0.000 1.204 229 P CA -0.079 63.104 63.100 0.139 0.000 0.768 229 P CB 0.655 32.541 31.700 0.310 0.000 0.842 230 E N 2.096 122.324 120.200 0.048 0.000 2.234 230 E HA 0.043 4.407 4.350 0.023 0.000 0.266 230 E C 0.361 176.952 176.600 -0.015 0.000 0.877 230 E CA -0.775 55.636 56.400 0.017 0.000 0.758 230 E CB 1.386 31.092 29.700 0.011 0.000 1.170 230 E HN 0.086 8.470 8.360 0.040 0.000 0.415 231 G N 2.909 111.691 108.800 -0.029 0.000 2.179 231 G HA2 -0.394 3.529 3.960 -0.062 0.000 0.257 231 G HA3 -0.394 3.531 3.960 -0.059 0.000 0.257 231 G C -1.248 173.579 174.900 -0.122 0.000 1.010 231 G CA 0.489 45.550 45.100 -0.064 0.000 0.736 231 G HN 0.619 8.898 8.290 -0.018 0.000 0.513 232 I N 0.867 121.356 120.570 -0.134 0.000 2.405 232 I HA 0.079 4.044 4.170 -0.341 0.000 0.280 232 I C -1.904 173.996 176.117 -0.362 0.000 1.027 232 I CA -0.767 60.368 61.300 -0.275 0.000 1.161 232 I CB 0.329 38.176 38.000 -0.256 0.000 1.300 232 I HN -0.423 7.708 8.210 -0.076 0.033 0.463 233 G N 5.110 113.588 108.800 -0.537 0.000 2.605 233 G HA2 0.830 4.647 3.960 -0.399 0.000 0.296 233 G HA3 0.830 4.615 3.960 -0.293 0.000 0.296 233 G C -2.660 171.777 174.900 -0.771 0.000 1.304 233 G CA -1.268 43.534 45.100 -0.497 0.000 0.941 233 G HN 0.120 8.094 8.290 -0.527 0.000 0.475 234 F N -1.682 118.158 119.950 -0.183 0.000 2.565 234 F HA 0.926 5.565 4.527 -0.161 -0.209 0.313 234 F C -1.980 173.735 175.800 -0.142 0.000 1.091 234 F CA -1.838 55.991 58.000 -0.286 0.000 0.915 234 F CB 4.835 43.326 39.000 -0.850 0.000 1.208 234 F HN 0.014 8.231 8.300 -0.138 0.000 0.453 235 A N 0.315 123.304 122.820 0.281 0.000 2.435 235 A HA 0.785 5.410 4.320 0.266 -0.145 0.304 235 A C -1.953 175.924 177.584 0.488 0.000 1.064 235 A CA -2.460 49.761 52.037 0.307 0.000 0.727 235 A CB 3.969 23.071 19.000 0.170 0.000 1.284 235 A HN 0.873 9.229 8.150 0.344 0.000 0.415 236 I N 1.621 122.402 120.570 0.351 0.000 2.436 236 I HA 0.336 4.565 4.170 0.099 0.000 0.289 236 I C -1.390 174.793 176.117 0.111 0.000 1.083 236 I CA -3.389 58.013 61.300 0.169 0.000 1.372 236 I CB -0.702 37.351 38.000 0.089 0.000 1.408 236 I HN 0.090 8.478 8.210 0.297 0.000 0.516 237 P HA -0.066 4.548 4.420 0.096 -0.137 0.264 237 P C 0.949 178.247 177.300 -0.004 0.000 1.179 237 P CA 0.420 63.533 63.100 0.022 0.000 0.763 237 P CB 0.062 31.713 31.700 -0.082 0.000 0.806 238 F N 3.159 123.108 119.950 -0.002 0.000 2.216 238 F HA -0.349 4.177 4.527 -0.000 0.000 0.300 238 F C 1.310 177.100 175.800 -0.016 0.000 1.085 238 F CA 3.582 61.578 58.000 -0.006 0.000 1.326 238 F CB -0.460 38.536 39.000 -0.007 0.000 1.027 238 F HN -0.277 8.206 8.300 0.305 0.000 0.497 239 Q N 0.264 119.550 119.800 -0.857 0.000 2.050 239 Q HA -0.359 3.694 4.340 -0.477 0.000 0.202 239 Q C 2.182 178.035 176.000 -0.246 0.000 0.980 239 Q CA 3.517 58.977 55.803 -0.572 0.000 0.840 239 Q CB -0.982 27.389 28.738 -0.611 0.000 0.898 239 Q HN 0.102 7.657 8.270 -1.192 0.000 0.424 240 L N -1.544 119.552 121.223 -0.212 0.000 2.141 240 L HA -0.240 4.023 4.340 -0.128 0.000 0.209 240 L C 1.143 177.964 176.870 -0.082 0.000 1.094 240 L CA 2.394 57.154 54.840 -0.134 0.000 0.763 240 L CB -0.645 41.331 42.059 -0.138 0.000 0.908 240 L HN -0.612 7.470 8.230 -0.246 0.000 0.437 241 A N -1.953 120.838 122.820 -0.049 0.000 1.929 241 A HA -0.233 4.081 4.320 -0.011 0.000 0.216 241 A C 2.004 179.589 177.584 0.002 0.000 1.176 241 A CA 3.253 55.288 52.037 -0.002 0.000 0.628 241 A CB -0.715 18.314 19.000 0.048 0.000 0.816 241 A HN -0.300 7.703 8.150 -0.053 0.116 0.444 242 T N 0.858 115.417 114.554 0.008 0.000 2.857 242 T HA -0.389 3.971 4.350 0.016 0.000 0.266 242 T C 2.151 176.835 174.700 -0.026 0.000 1.048 242 T CA 4.675 66.780 62.100 0.009 0.000 1.139 242 T CB -0.260 68.633 68.868 0.041 0.000 0.874 242 T HN -0.439 7.805 8.240 0.006 0.000 0.455 243 K N 2.207 122.580 120.400 -0.045 0.000 2.002 243 K HA -0.315 3.975 4.320 -0.051 0.000 0.209 243 K C 2.280 178.849 176.600 -0.051 0.000 1.048 243 K CA 3.622 59.877 56.287 -0.053 0.000 0.930 243 K CB -0.189 32.271 32.500 -0.067 0.000 0.714 243 K HN -0.730 7.487 8.250 -0.054 0.000 0.438 244 I N -0.840 119.701 120.570 -0.048 0.000 2.208 244 I HA -0.426 3.717 4.170 -0.046 0.000 0.245 244 I C 1.846 177.936 176.117 -0.044 0.000 1.097 244 I CA 2.580 63.854 61.300 -0.043 0.000 1.363 244 I CB -0.845 37.133 38.000 -0.036 0.000 1.051 244 I HN -0.448 7.733 8.210 -0.049 0.000 0.413 245 M N 0.462 120.037 119.600 -0.042 0.000 2.117 245 M HA -0.515 3.936 4.480 -0.048 0.000 0.262 245 M C 1.666 177.905 176.300 -0.101 0.000 1.065 245 M CA 4.334 59.600 55.300 -0.057 0.000 1.114 245 M CB -0.310 32.266 32.600 -0.040 0.000 1.361 245 M HN -0.410 7.860 8.290 -0.033 0.000 0.408 246 D N -0.400 119.945 120.400 -0.092 0.000 2.117 246 D HA -0.309 4.244 4.640 -0.146 0.000 0.197 246 D C 2.474 178.715 176.300 -0.098 0.000 0.987 246 D CA 3.596 57.531 54.000 -0.108 0.000 0.829 246 D CB -0.510 40.244 40.800 -0.077 0.000 0.961 246 D HN -0.372 7.955 8.370 -0.071 0.000 0.460 247 K N -0.497 119.859 120.400 -0.073 0.000 2.057 247 K HA -0.266 4.019 4.320 -0.058 0.000 0.207 247 K C 2.738 179.301 176.600 -0.060 0.000 1.049 247 K CA 2.944 59.195 56.287 -0.060 0.000 0.931 247 K CB 0.054 32.525 32.500 -0.049 0.000 0.714 247 K HN -0.726 7.484 8.250 -0.066 0.000 0.440 248 L N -2.142 119.043 121.223 -0.063 0.000 2.141 248 L HA -0.278 4.039 4.340 -0.039 0.000 0.209 248 L C 2.403 179.231 176.870 -0.070 0.000 1.094 248 L CA 2.593 57.401 54.840 -0.052 0.000 0.763 248 L CB -0.226 41.809 42.059 -0.039 0.000 0.908 248 L HN -0.504 7.688 8.230 -0.064 0.000 0.437 249 I N -3.093 117.400 120.570 -0.129 0.000 2.252 249 I HA -0.327 3.738 4.170 -0.175 0.000 0.245 249 I C 1.199 177.249 176.117 -0.111 0.000 1.102 249 I CA 2.579 63.763 61.300 -0.192 0.000 1.385 249 I CB 0.335 38.103 38.000 -0.387 0.000 1.064 249 I HN -0.503 7.609 8.210 -0.144 0.012 0.414 250 R N -3.166 117.280 120.500 -0.090 0.000 2.317 250 R HA 0.037 4.347 4.340 -0.049 0.000 0.208 250 R C -0.396 175.882 176.300 -0.037 0.000 0.914 250 R CA -0.296 55.770 56.100 -0.056 0.000 1.060 250 R CB 0.518 30.785 30.300 -0.055 0.000 1.015 250 R HN -0.600 7.613 8.270 -0.095 0.000 0.498 251 D N 0.000 120.378 120.400 -0.036 0.000 6.856 251 D HA 0.000 4.625 4.640 -0.025 0.000 0.175 251 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 251 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 251 D HN 0.000 8.162 8.370 -0.044 0.181 0.683