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 2jmu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SAQGLIEVER KFAPGPDTEE RLQELGATLE HRVTFRDTYY DTSELSLMLS DATA SEQUENCE DHWLRQREGS GWELKCPGVT GVSGPHNEYV EVTSEAAIVA QLFELLGSGE DATA SEQUENCE QKPAGVAAVL GSLKLQEVAS FITTRSSWKL ALSGAHGQEP QLTIDLDSAD DATA SEQUENCE FGYAVGEVEA MVHEKAEVPA ALEKIITVSS MLGVPAQEEA PAKLMVYLQR DATA SEQUENCE FRPLDYQRLL EAASSGEATG DSAS 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 1 S HA 0.000 4.480 4.470 0.016 0.000 0.327 1 S C 0.000 174.612 174.600 0.020 0.000 1.055 1 S CA 0.000 58.208 58.200 0.013 0.000 1.107 1 S CB 0.000 63.209 63.200 0.015 0.000 0.593 2 A N 4.417 127.253 122.820 0.028 0.000 2.646 2 A HA 0.371 4.725 4.320 0.057 0.000 0.312 2 A C -0.504 177.112 177.584 0.053 0.000 1.245 2 A CA 0.521 52.584 52.037 0.044 0.000 0.755 2 A CB 0.512 19.531 19.000 0.031 0.000 1.132 2 A HN 0.314 8.479 8.150 0.024 0.000 0.458 3 Q N 1.379 121.221 119.800 0.070 0.000 2.140 3 Q HA 0.004 4.370 4.340 0.043 0.000 0.227 3 Q C 0.268 176.303 176.000 0.059 0.000 0.798 3 Q CA -0.552 55.284 55.803 0.054 0.000 0.987 3 Q CB 0.483 29.246 28.738 0.040 0.000 1.161 3 Q HN 0.359 8.683 8.270 0.090 0.000 0.480 4 G N 0.512 109.381 108.800 0.115 0.000 2.481 4 G HA2 -0.297 3.753 3.960 0.150 0.000 0.230 4 G HA3 -0.297 3.648 3.960 -0.024 0.000 0.230 4 G C -1.380 173.525 174.900 0.008 0.000 1.210 4 G CA -0.712 44.421 45.100 0.055 0.000 0.936 4 G HN -0.215 8.116 8.290 0.164 0.057 0.583 5 L N 2.119 123.239 121.223 -0.172 0.000 2.433 5 L HA -0.107 4.325 4.340 -0.075 -0.137 0.275 5 L C 0.514 177.374 176.870 -0.017 0.000 1.128 5 L CA -0.245 54.526 54.840 -0.116 0.000 0.875 5 L CB -0.164 41.800 42.059 -0.159 0.000 1.171 5 L HN 0.110 8.213 8.230 -0.212 0.000 0.463 6 I N 5.789 126.375 120.570 0.027 0.000 2.421 6 I HA -0.188 3.999 4.170 0.028 0.000 0.291 6 I C -0.537 175.591 176.117 0.019 0.000 1.089 6 I CA 0.468 61.786 61.300 0.031 0.000 1.354 6 I CB -0.151 37.876 38.000 0.045 0.000 1.413 6 I HN 1.123 9.252 8.210 0.053 0.113 0.513 7 E N 8.776 128.984 120.200 0.014 0.000 2.003 7 E HA 0.200 4.743 4.350 0.011 -0.186 0.279 7 E C -0.245 176.366 176.600 0.019 0.000 1.132 7 E CA -0.498 55.910 56.400 0.013 0.000 0.888 7 E CB -0.371 29.335 29.700 0.010 0.000 1.056 7 E HN 0.378 8.746 8.360 0.013 0.000 0.399 8 V N 0.989 120.915 119.914 0.020 0.000 2.364 8 V HA 0.344 4.477 4.120 0.023 0.000 0.272 8 V C -1.409 174.698 176.094 0.023 0.000 1.036 8 V CA -1.572 60.741 62.300 0.022 0.000 0.880 8 V CB 0.973 32.808 31.823 0.020 0.000 0.991 8 V HN 0.869 8.966 8.190 0.019 0.104 0.460 9 E N 6.251 126.467 120.200 0.027 0.000 2.266 9 E HA 1.010 5.667 4.350 0.031 -0.289 0.268 9 E C -1.406 175.217 176.600 0.038 0.000 0.879 9 E CA -2.634 53.785 56.400 0.032 0.000 0.762 9 E CB 3.711 33.432 29.700 0.036 0.000 1.199 9 E HN 0.036 8.412 8.360 0.027 0.000 0.422 10 R N 1.075 121.602 120.500 0.044 0.000 2.808 10 R HA 0.410 4.783 4.340 0.055 0.000 0.272 10 R C -2.124 174.225 176.300 0.083 0.000 0.995 10 R CA -1.313 54.821 56.100 0.056 0.000 0.917 10 R CB 5.083 35.412 30.300 0.048 0.000 1.217 10 R HN 0.561 8.856 8.270 0.042 0.000 0.471 11 K N 1.920 122.380 120.400 0.100 0.000 2.156 11 K HA 0.763 5.317 4.320 0.137 -0.152 0.254 11 K C -1.631 175.091 176.600 0.203 0.000 0.950 11 K CA -1.028 55.337 56.287 0.130 0.000 0.849 11 K CB 2.736 35.293 32.500 0.095 0.000 1.100 11 K HN 0.340 8.643 8.250 0.089 0.000 0.434 12 F N 5.059 125.017 119.950 0.014 0.000 2.588 12 F HA 0.291 4.906 4.527 0.006 -0.084 0.310 12 F C -3.169 172.631 175.800 0.000 0.000 1.082 12 F CA -2.183 55.819 58.000 0.003 0.000 0.929 12 F CB 4.802 43.796 39.000 -0.009 0.000 1.254 12 F HN 0.981 9.316 8.300 0.227 0.101 0.455 13 A N 4.674 127.011 122.820 -0.806 0.000 2.412 13 A HA 0.803 4.971 4.320 -0.470 -0.130 0.334 13 A C -2.859 174.044 177.584 -1.134 0.000 1.419 13 A CA -3.786 47.834 52.037 -0.696 0.000 0.930 13 A CB -0.050 18.759 19.000 -0.318 0.000 1.149 13 A HN 1.057 8.786 8.150 -0.701 0.000 0.515 14 P HA 0.110 4.164 4.420 -0.609 0.000 0.276 14 P C -0.441 176.705 177.300 -0.257 0.000 1.261 14 P CA -1.232 61.535 63.100 -0.556 0.000 0.800 14 P CB 1.355 32.959 31.700 -0.161 0.000 1.066 15 G N -0.915 107.815 108.800 -0.116 0.000 2.509 15 G HA2 0.332 4.237 3.960 -0.092 0.000 0.269 15 G HA3 0.332 4.263 3.960 -0.048 0.000 0.269 15 G C -1.154 173.704 174.900 -0.070 0.000 1.416 15 G CA -1.159 43.894 45.100 -0.079 0.000 1.052 15 G HN -0.304 7.959 8.290 -0.045 0.000 0.542 16 P HA 0.176 4.565 4.420 -0.052 0.000 0.251 16 P C -1.094 176.181 177.300 -0.042 0.000 1.223 16 P CA 0.894 63.967 63.100 -0.045 0.000 0.796 16 P CB 0.256 31.937 31.700 -0.032 0.000 1.068 17 D N -3.136 117.237 120.400 -0.045 0.000 2.440 17 D HA 0.191 4.806 4.640 -0.043 0.000 0.216 17 D C 0.156 176.407 176.300 -0.082 0.000 1.150 17 D CA 0.331 54.301 54.000 -0.050 0.000 0.832 17 D CB 0.259 41.035 40.800 -0.041 0.000 0.992 17 D HN 0.251 8.537 8.370 -0.042 0.059 0.502 18 T N 2.351 116.851 114.554 -0.090 0.000 2.635 18 T HA -0.479 3.799 4.350 -0.120 0.000 0.267 18 T C 1.331 175.852 174.700 -0.297 0.000 1.040 18 T CA 5.326 67.341 62.100 -0.142 0.000 1.156 18 T CB -0.020 68.789 68.868 -0.099 0.000 0.863 18 T HN -0.458 7.660 8.240 -0.071 0.080 0.430 19 E N -0.403 119.648 120.200 -0.247 0.000 2.085 19 E HA -0.369 3.501 4.350 -0.800 0.000 0.194 19 E C 2.364 178.760 176.600 -0.341 0.000 0.994 19 E CA 3.918 60.121 56.400 -0.329 0.000 0.801 19 E CB -1.378 28.387 29.700 0.108 0.000 0.743 19 E HN 0.530 8.813 8.360 -0.127 0.000 0.453 20 E N -1.750 118.354 120.200 -0.159 0.000 2.046 20 E HA -0.283 4.038 4.350 -0.047 0.000 0.190 20 E C 2.408 178.920 176.600 -0.147 0.000 0.982 20 E CA 2.528 58.868 56.400 -0.099 0.000 0.800 20 E CB -0.637 29.033 29.700 -0.050 0.000 0.756 20 E HN -0.700 7.576 8.360 -0.119 0.013 0.449 21 R N 0.343 120.741 120.500 -0.171 0.000 2.091 21 R HA -0.245 4.031 4.340 -0.107 0.000 0.238 21 R C 2.622 178.794 176.300 -0.215 0.000 1.136 21 R CA 2.369 58.376 56.100 -0.156 0.000 0.959 21 R CB -0.584 29.636 30.300 -0.133 0.000 0.856 21 R HN 0.118 8.290 8.270 -0.163 0.000 0.437 22 L N -1.466 119.523 121.223 -0.391 0.000 2.017 22 L HA -0.455 3.694 4.340 -0.320 0.000 0.208 22 L C 2.234 178.931 176.870 -0.288 0.000 1.073 22 L CA 3.322 57.868 54.840 -0.490 0.000 0.745 22 L CB -0.506 40.888 42.059 -1.109 0.000 0.894 22 L HN 0.432 8.382 8.230 -0.467 0.000 0.432 23 Q N -1.222 118.425 119.800 -0.255 0.000 2.061 23 Q HA -0.375 4.234 4.340 0.205 -0.145 0.204 23 Q C 2.867 178.874 176.000 0.013 0.000 0.984 23 Q CA 2.898 58.724 55.803 0.039 0.000 0.846 23 Q CB -0.009 28.794 28.738 0.108 0.000 0.902 23 Q HN -0.355 7.666 8.270 -0.414 0.000 0.421 24 E N -2.178 118.001 120.200 -0.036 0.000 2.152 24 E HA -0.201 4.147 4.350 -0.003 0.000 0.192 24 E C 2.077 178.661 176.600 -0.027 0.000 0.983 24 E CA 1.605 57.991 56.400 -0.024 0.000 0.818 24 E CB -0.262 29.418 29.700 -0.033 0.000 0.758 24 E HN -0.379 7.936 8.360 -0.074 0.000 0.467 25 L N -3.399 117.794 121.223 -0.050 0.000 2.240 25 L HA -0.116 4.203 4.340 -0.035 0.000 0.211 25 L C 1.245 178.106 176.870 -0.015 0.000 1.106 25 L CA 1.078 55.892 54.840 -0.043 0.000 0.793 25 L CB 0.704 42.719 42.059 -0.072 0.000 0.927 25 L HN -0.101 7.991 8.230 -0.081 0.090 0.446 26 G N -4.562 104.243 108.800 0.007 0.000 2.164 26 G HA2 -0.256 3.733 3.960 0.049 0.000 0.154 26 G HA3 -0.256 3.720 3.960 0.026 0.000 0.154 26 G C -1.127 173.822 174.900 0.082 0.000 1.014 26 G CA -0.537 44.587 45.100 0.040 0.000 0.683 26 G HN -0.333 7.837 8.290 -0.000 0.120 0.500 27 A N 1.439 124.326 122.820 0.111 0.000 2.363 27 A HA 0.544 5.134 4.320 0.169 -0.169 0.270 27 A C -1.063 176.771 177.584 0.417 0.000 1.121 27 A CA -0.772 51.404 52.037 0.232 0.000 0.800 27 A CB 1.278 20.413 19.000 0.225 0.000 1.052 27 A HN 0.080 8.161 8.150 0.051 0.099 0.493 28 T N -0.072 114.654 114.554 0.286 0.000 2.909 28 T HA 0.098 4.546 4.350 0.163 0.000 0.286 28 T C -0.640 174.027 174.700 -0.056 0.000 1.002 28 T CA -1.463 60.725 62.100 0.146 0.000 1.074 28 T CB 1.416 70.311 68.868 0.045 0.000 0.984 28 T HN 0.480 8.845 8.240 0.209 0.000 0.495 29 L N 5.091 126.067 121.223 -0.412 0.000 2.312 29 L HA 0.284 3.920 4.340 -1.411 -0.142 0.287 29 L C 0.263 176.865 176.870 -0.447 0.000 1.091 29 L CA -0.338 53.948 54.840 -0.924 0.000 0.846 29 L CB -0.133 41.265 42.059 -1.102 0.000 1.219 29 L HN 0.386 8.469 8.230 -0.245 0.000 0.439 30 E N 7.157 127.152 120.200 -0.341 0.000 2.046 30 E HA -0.128 4.157 4.350 -0.109 0.000 0.190 30 E C -0.308 176.251 176.600 -0.070 0.000 0.982 30 E CA 1.850 58.164 56.400 -0.143 0.000 0.800 30 E CB 0.801 30.457 29.700 -0.073 0.000 0.756 30 E HN 0.858 8.859 8.360 -0.427 0.103 0.449 31 H N -4.271 114.659 119.070 -0.232 0.000 3.060 31 H HA 0.104 4.568 4.556 -0.153 0.000 0.330 31 H C -2.945 172.280 175.328 -0.172 0.000 1.305 31 H CA 0.257 56.206 56.048 -0.164 0.000 1.209 31 H CB 2.584 32.287 29.762 -0.099 0.000 1.913 31 H HN -0.701 7.472 8.280 -0.177 0.000 0.534 32 R N 2.704 123.152 120.500 -0.086 0.000 2.626 32 R HA 0.617 5.101 4.340 0.075 -0.099 0.274 32 R C -2.132 174.203 176.300 0.058 0.000 1.031 32 R CA -1.487 54.613 56.100 -0.000 0.000 0.898 32 R CB 3.092 33.342 30.300 -0.085 0.000 1.222 32 R HN 0.185 8.213 8.270 -0.404 0.000 0.455 33 V N -1.120 118.875 119.914 0.134 0.000 2.628 33 V HA 0.559 4.758 4.120 0.131 0.000 0.306 33 V C -1.628 174.556 176.094 0.149 0.000 1.045 33 V CA -1.905 60.503 62.300 0.179 0.000 0.905 33 V CB 3.380 35.371 31.823 0.280 0.000 0.997 33 V HN 0.687 8.838 8.190 0.119 0.111 0.436 34 T N 2.254 116.914 114.554 0.176 0.000 3.011 34 T HA 1.061 5.706 4.350 -0.032 -0.314 0.303 34 T C -0.919 173.909 174.700 0.213 0.000 0.997 34 T CA -1.398 60.753 62.100 0.086 0.000 1.007 34 T CB 2.370 71.249 68.868 0.019 0.000 1.017 34 T HN -0.200 8.156 8.240 0.193 0.000 0.443 35 F N -0.501 119.431 119.950 -0.031 0.000 2.703 35 F HA 0.279 4.789 4.527 -0.028 0.000 0.308 35 F C -2.703 173.080 175.800 -0.028 0.000 1.126 35 F CA -1.391 56.591 58.000 -0.030 0.000 0.959 35 F CB 1.965 40.948 39.000 -0.029 0.000 1.297 35 F HN 0.083 8.169 8.300 -0.356 0.000 0.441 36 R N 2.904 123.458 120.500 0.091 0.000 2.265 36 R HA 0.350 4.813 4.340 -0.082 -0.173 0.314 36 R C -0.985 175.408 176.300 0.154 0.000 1.053 36 R CA -0.521 55.597 56.100 0.029 0.000 0.931 36 R CB 1.509 31.835 30.300 0.044 0.000 1.024 36 R HN 0.446 8.818 8.270 0.169 0.000 0.457 37 D N 7.696 128.166 120.400 0.117 0.000 2.349 37 D HA 0.807 5.827 4.640 0.288 -0.208 0.232 37 D C -0.639 175.844 176.300 0.305 0.000 1.071 37 D CA -1.621 52.537 54.000 0.263 0.000 0.832 37 D CB 1.591 42.567 40.800 0.293 0.000 1.086 37 D HN 0.690 9.066 8.370 0.010 0.000 0.504 38 T N 6.239 120.914 114.554 0.201 0.000 2.756 38 T HA 0.349 4.871 4.350 0.108 -0.107 0.290 38 T C -1.270 173.509 174.700 0.132 0.000 0.985 38 T CA 0.121 62.292 62.100 0.119 0.000 0.955 38 T CB 1.133 70.033 68.868 0.054 0.000 0.930 38 T HN 0.932 9.148 8.240 0.140 0.109 0.451 39 Y N 7.740 128.010 120.300 -0.051 0.000 2.330 39 Y HA 0.617 5.544 4.550 0.219 -0.245 0.336 39 Y C -0.949 174.841 175.900 -0.182 0.000 1.036 39 Y CA -0.970 57.135 58.100 0.009 0.000 1.125 39 Y CB 2.508 40.963 38.460 -0.008 0.000 1.194 39 Y HN 1.129 9.377 8.280 0.135 0.113 0.469 40 Y N 2.766 123.146 120.300 0.134 0.000 2.509 40 Y HA 0.787 5.613 4.550 0.105 -0.213 0.341 40 Y C -1.283 174.682 175.900 0.109 0.000 1.038 40 Y CA -1.492 56.681 58.100 0.121 0.000 1.089 40 Y CB 3.748 42.291 38.460 0.139 0.000 1.241 40 Y HN 0.415 8.835 8.280 0.233 0.000 0.468 41 D N -1.566 118.968 120.400 0.224 0.000 2.671 41 D HA 0.216 4.930 4.640 0.122 0.000 0.273 41 D C -1.818 174.537 176.300 0.091 0.000 1.264 41 D CA -1.524 52.553 54.000 0.129 0.000 0.788 41 D CB 3.718 44.572 40.800 0.091 0.000 1.324 41 D HN 0.296 8.807 8.370 0.234 0.000 0.424 42 T N -1.218 113.365 114.554 0.049 0.000 2.701 42 T HA 0.063 4.430 4.350 0.028 0.000 0.303 42 T C 1.619 176.332 174.700 0.021 0.000 1.030 42 T CA -0.066 62.049 62.100 0.026 0.000 1.010 42 T CB 1.258 70.128 68.868 0.004 0.000 1.007 42 T HN 0.270 8.533 8.240 0.039 0.000 0.532 43 S N -0.335 115.372 115.700 0.011 0.000 2.474 43 S HA -0.140 4.484 4.470 0.008 -0.149 0.235 43 S C 0.504 175.105 174.600 0.001 0.000 0.997 43 S CA 2.600 60.803 58.200 0.005 0.000 0.949 43 S CB -0.515 62.686 63.200 0.001 0.000 0.766 43 S HN 0.426 8.739 8.310 0.006 0.000 0.517 44 E N -1.354 118.846 120.200 -0.000 0.000 2.481 44 E HA 0.077 4.424 4.350 -0.004 0.000 0.198 44 E C -0.848 175.750 176.600 -0.003 0.000 1.027 44 E CA -1.050 55.347 56.400 -0.003 0.000 0.900 44 E CB 0.007 29.703 29.700 -0.007 0.000 0.993 44 E HN -0.654 7.642 8.360 0.001 0.064 0.482 45 L N -2.831 118.394 121.223 0.003 0.000 3.865 45 L HA -0.418 4.366 4.340 0.011 -0.438 0.408 45 L C 0.506 177.361 176.870 -0.026 0.000 1.209 45 L CA 0.768 55.609 54.840 0.001 0.000 0.940 45 L CB -2.621 39.448 42.059 0.017 0.000 1.971 45 L HN -0.447 7.723 8.230 0.008 0.066 0.899 46 S N 0.035 115.724 115.700 -0.020 0.000 2.406 46 S HA -0.211 4.243 4.470 -0.027 0.000 0.228 46 S C 1.097 175.676 174.600 -0.036 0.000 1.020 46 S CA 2.940 61.126 58.200 -0.024 0.000 0.965 46 S CB 0.082 63.273 63.200 -0.014 0.000 0.798 46 S HN -0.121 8.187 8.310 -0.009 -0.003 0.488 47 L N 1.398 122.603 121.223 -0.031 0.000 2.027 47 L HA -0.251 4.091 4.340 0.002 0.000 0.206 47 L C 1.302 178.087 176.870 -0.143 0.000 1.074 47 L CA 2.826 57.650 54.840 -0.025 0.000 0.745 47 L CB -0.067 42.005 42.059 0.022 0.000 0.898 47 L HN -0.097 8.539 8.230 -0.015 -0.415 0.433 48 M N -0.521 118.950 119.600 -0.216 0.000 2.065 48 M HA -0.365 3.628 4.480 -0.812 0.000 0.259 48 M C 2.188 178.070 176.300 -0.697 0.000 1.069 48 M CA 3.360 58.325 55.300 -0.558 0.000 1.110 48 M CB -0.193 32.239 32.600 -0.280 0.000 1.328 48 M HN 0.094 8.735 8.290 -0.105 -0.413 0.405 49 L N -2.772 118.262 121.223 -0.314 0.000 2.552 49 L HA -0.071 4.148 4.340 -0.202 0.000 0.227 49 L C 1.210 178.013 176.870 -0.112 0.000 1.146 49 L CA 1.480 56.210 54.840 -0.182 0.000 0.858 49 L CB -0.808 41.205 42.059 -0.077 0.000 0.969 49 L HN -0.424 7.681 8.230 -0.207 0.000 0.451 50 S N -1.076 114.559 115.700 -0.109 0.000 2.575 50 S HA 0.030 4.519 4.470 0.032 0.000 0.215 50 S C 0.015 174.619 174.600 0.007 0.000 0.966 50 S CA -0.294 57.916 58.200 0.016 0.000 0.911 50 S CB 0.492 63.755 63.200 0.105 0.000 0.780 50 S HN -0.579 7.437 8.310 -0.163 0.197 0.514 51 D N -3.590 116.728 120.400 -0.137 0.000 3.077 51 D HA -0.279 4.394 4.640 0.054 0.000 0.212 51 D C -1.379 174.879 176.300 -0.071 0.000 1.125 51 D CA 2.238 56.231 54.000 -0.011 0.000 0.970 51 D CB -1.178 39.700 40.800 0.131 0.000 1.110 51 D HN -0.629 7.486 8.370 -0.279 0.088 0.419 52 H N -1.683 117.344 119.070 -0.071 0.000 2.700 52 H HA 0.454 5.480 4.556 0.230 -0.332 0.269 52 H C -0.444 174.905 175.328 0.036 0.000 1.222 52 H CA -1.021 55.068 56.048 0.068 0.000 1.254 52 H CB -0.288 29.508 29.762 0.056 0.000 1.413 52 H HN -0.566 7.598 8.280 -0.083 0.066 0.507 53 W N 3.142 124.586 121.300 0.240 0.000 2.331 53 W HA -0.013 4.895 4.660 0.413 0.000 0.306 53 W C -1.796 174.785 176.519 0.104 0.000 1.162 53 W CA -0.909 56.620 57.345 0.308 0.000 1.232 53 W CB 0.657 30.334 29.460 0.362 0.000 1.235 53 W HN 0.032 8.580 8.180 0.612 0.000 0.479 54 L N 5.097 126.372 121.223 0.088 0.000 2.305 54 L HA 0.788 5.320 4.340 0.081 -0.144 0.284 54 L C -1.990 174.633 176.870 -0.412 0.000 1.013 54 L CA -1.197 53.627 54.840 -0.026 0.000 0.819 54 L CB 2.685 44.823 42.059 0.133 0.000 1.227 54 L HN 0.557 8.879 8.230 0.152 0.000 0.417 55 R N 3.920 124.297 120.500 -0.206 0.000 2.651 55 R HA 0.962 5.388 4.340 -0.289 -0.259 0.278 55 R C -2.318 173.966 176.300 -0.026 0.000 1.010 55 R CA -2.367 53.587 56.100 -0.243 0.000 0.896 55 R CB 3.601 33.714 30.300 -0.312 0.000 1.211 55 R HN 0.978 9.274 8.270 0.043 0.000 0.456 56 Q N 3.743 123.419 119.800 -0.205 0.000 2.337 56 Q HA 0.671 4.824 4.340 -0.501 -0.113 0.266 56 Q C -1.744 174.129 176.000 -0.212 0.000 1.023 56 Q CA -1.605 53.862 55.803 -0.559 0.000 0.829 56 Q CB 4.516 32.363 28.738 -1.486 0.000 1.306 56 Q HN 0.770 8.887 8.270 -0.078 0.107 0.449 57 R N 5.327 125.711 120.500 -0.192 0.000 2.343 57 R HA 0.706 5.345 4.340 0.213 -0.170 0.320 57 R C 0.214 176.477 176.300 -0.062 0.000 0.956 57 R CA -2.103 53.985 56.100 -0.021 0.000 0.836 57 R CB 1.911 32.063 30.300 -0.247 0.000 1.151 57 R HN 0.213 8.302 8.270 -0.301 0.000 0.450 58 E N 3.156 123.405 120.200 0.082 0.000 2.805 58 E HA -0.378 4.021 4.350 0.082 0.000 0.266 58 E C -0.508 176.075 176.600 -0.029 0.000 1.092 58 E CA 1.359 57.790 56.400 0.051 0.000 0.781 58 E CB -1.913 27.833 29.700 0.076 0.000 1.379 58 E HN 0.969 9.341 8.360 0.202 0.109 0.433 59 G N -3.072 105.674 108.800 -0.091 0.000 2.179 59 G HA2 -0.358 3.688 3.960 -0.180 0.000 0.257 59 G HA3 -0.358 3.567 3.960 -0.058 0.000 0.257 59 G C -0.423 174.409 174.900 -0.113 0.000 1.010 59 G CA 0.529 45.560 45.100 -0.114 0.000 0.736 59 G HN 0.310 8.475 8.290 -0.112 0.058 0.513 60 S N 0.496 116.114 115.700 -0.137 0.000 2.339 60 S HA 0.116 4.545 4.470 -0.067 0.000 0.213 60 S C 0.316 174.849 174.600 -0.112 0.000 1.033 60 S CA 1.590 59.727 58.200 -0.105 0.000 0.950 60 S CB 1.119 64.252 63.200 -0.112 0.000 0.893 60 S HN 0.323 8.376 8.310 -0.158 0.162 0.492 61 G N -1.798 106.897 108.800 -0.175 0.000 2.788 61 G HA2 0.341 4.284 3.960 -0.028 0.000 0.293 61 G HA3 0.341 4.279 3.960 -0.036 0.000 0.293 61 G C -3.112 171.640 174.900 -0.247 0.000 1.392 61 G CA 0.025 45.057 45.100 -0.115 0.000 0.810 61 G HN -0.945 7.214 8.290 -0.218 0.000 0.508 62 W N -2.239 119.051 121.300 -0.015 0.000 2.578 62 W HA 0.530 5.295 4.660 -0.002 -0.106 0.346 62 W C -0.908 175.607 176.519 -0.007 0.000 1.075 62 W CA -1.014 56.324 57.345 -0.011 0.000 1.233 62 W CB 3.117 32.563 29.460 -0.023 0.000 1.358 62 W HN 0.345 8.687 8.180 0.269 0.000 0.574 63 E N -1.449 118.913 120.200 0.271 0.000 2.290 63 E HA 0.481 5.060 4.350 0.149 -0.140 0.274 63 E C -2.207 174.507 176.600 0.190 0.000 0.889 63 E CA -0.825 55.677 56.400 0.169 0.000 0.760 63 E CB 4.317 34.073 29.700 0.093 0.000 1.206 63 E HN 0.702 9.277 8.360 0.357 0.000 0.419 64 L N 4.423 125.752 121.223 0.176 0.000 2.386 64 L HA 0.917 5.580 4.340 0.206 -0.199 0.271 64 L C -2.562 174.440 176.870 0.220 0.000 0.993 64 L CA -1.587 53.373 54.840 0.200 0.000 0.819 64 L CB 4.630 46.799 42.059 0.184 0.000 1.294 64 L HN 0.817 9.141 8.230 0.156 0.000 0.414 65 K N 6.503 127.077 120.400 0.290 0.000 2.183 65 K HA 0.345 4.801 4.320 0.228 0.000 0.274 65 K C -1.384 175.417 176.600 0.335 0.000 1.009 65 K CA -1.064 55.404 56.287 0.302 0.000 0.888 65 K CB 1.329 34.033 32.500 0.341 0.000 1.078 65 K HN 0.911 9.249 8.250 0.341 0.116 0.459 66 C N 4.996 124.465 119.300 0.282 0.000 2.561 66 C HA 0.533 4.930 4.460 -0.105 0.000 0.319 66 C C -1.912 173.187 174.990 0.182 0.000 1.198 66 C CA -3.114 55.985 59.018 0.135 0.000 1.665 66 C CB 3.399 31.245 27.740 0.177 0.000 2.258 66 C HN 0.858 9.149 8.230 0.276 0.104 0.493 67 P HA -0.065 4.196 4.420 -0.350 -0.052 0.271 67 P C 0.351 177.609 177.300 -0.071 0.000 1.535 67 P CA 0.774 63.811 63.100 -0.106 0.000 0.820 67 P CB -1.439 30.207 31.700 -0.090 0.000 1.606 68 G N -0.654 108.151 108.800 0.008 0.000 3.163 68 G HA2 -0.495 3.497 3.960 0.052 0.000 0.227 68 G HA3 -0.495 3.727 3.960 -0.001 -0.263 0.227 68 G C -0.913 174.008 174.900 0.034 0.000 1.300 68 G CA 1.111 46.225 45.100 0.024 0.000 0.867 68 G HN 0.251 8.433 8.290 0.065 0.148 0.533 69 V N 3.603 123.532 119.914 0.025 0.000 2.432 69 V HA -0.033 4.111 4.120 0.040 0.000 0.271 69 V C -0.338 175.802 176.094 0.076 0.000 1.046 69 V CA 0.730 63.055 62.300 0.041 0.000 0.945 69 V CB 0.182 32.024 31.823 0.031 0.000 0.992 69 V HN -0.065 8.009 8.190 0.005 0.119 0.471 70 T N 6.658 121.268 114.554 0.094 0.000 3.039 70 T HA -0.086 4.394 4.350 0.217 0.000 0.250 70 T C 0.841 175.616 174.700 0.124 0.000 1.052 70 T CA 1.107 63.295 62.100 0.147 0.000 1.125 70 T CB 0.222 69.169 68.868 0.132 0.000 0.908 70 T HN 0.265 8.549 8.240 0.074 0.000 0.473 71 G N 3.238 112.086 108.800 0.081 0.000 3.458 71 G HA2 0.045 4.044 3.960 0.065 0.000 0.256 71 G HA3 0.045 4.034 3.960 0.048 0.000 0.256 71 G C -0.919 174.018 174.900 0.062 0.000 0.938 71 G CA -0.869 44.269 45.100 0.063 0.000 1.890 71 G HN 0.014 8.345 8.290 0.069 0.000 0.639 72 V N 1.622 121.587 119.914 0.086 0.000 2.707 72 V HA -0.306 3.855 4.120 0.068 0.000 0.291 72 V C -0.468 175.658 176.094 0.053 0.000 1.002 72 V CA 2.350 64.697 62.300 0.078 0.000 1.200 72 V CB -0.083 31.805 31.823 0.109 0.000 0.854 72 V HN -0.444 7.722 8.190 0.115 0.093 0.462 73 S N 7.699 123.422 115.700 0.039 0.000 2.649 73 S HA 0.159 4.646 4.470 0.028 0.000 0.274 73 S C -0.372 174.239 174.600 0.017 0.000 1.176 73 S CA -0.285 57.931 58.200 0.027 0.000 0.988 73 S CB 1.398 64.612 63.200 0.023 0.000 1.071 73 S HN -0.218 8.114 8.310 0.038 0.000 0.478 74 G N 4.527 113.335 108.800 0.013 0.000 2.508 74 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.220 74 G HA3 -0.223 3.734 3.960 -0.006 0.000 0.220 74 G C -2.653 172.245 174.900 -0.003 0.000 1.287 74 G CA -0.606 44.494 45.100 0.000 0.000 0.916 74 G HN 0.059 8.359 8.290 0.017 0.000 0.574 75 P HA 0.248 4.649 4.420 -0.032 0.000 0.284 75 P C -1.113 176.150 177.300 -0.062 0.000 1.292 75 P CA -1.021 62.038 63.100 -0.069 0.000 0.800 75 P CB 0.779 32.394 31.700 -0.142 0.000 1.188 76 H N -2.731 116.292 119.070 -0.078 0.000 2.934 76 H HA -0.036 4.520 4.556 -0.124 -0.075 0.273 76 H C -0.436 174.789 175.328 -0.171 0.000 1.121 76 H CA -0.702 55.254 56.048 -0.154 0.000 1.451 76 H CB -0.424 29.185 29.762 -0.255 0.000 1.469 76 H HN 0.003 8.137 8.280 -0.242 0.000 0.476 77 N N 6.715 125.370 118.700 -0.075 0.000 2.895 77 N HA -0.183 4.490 4.740 -0.111 0.000 0.277 77 N C -1.170 174.301 175.510 -0.065 0.000 1.185 77 N CA -1.094 51.910 53.050 -0.078 0.000 1.106 77 N CB -0.747 37.716 38.487 -0.041 0.000 1.422 77 N HN 0.080 8.438 8.380 -0.037 0.000 0.521 78 E N 1.641 121.793 120.200 -0.079 0.000 9.237 78 E HA -0.409 3.928 4.350 -0.022 0.000 0.412 78 E C -2.293 174.199 176.600 -0.180 0.000 1.429 78 E CA 1.414 57.781 56.400 -0.056 0.000 2.483 78 E CB -0.145 29.566 29.700 0.019 0.000 1.050 78 E HN -0.327 7.937 8.360 -0.093 0.041 0.408 79 Y N -3.387 116.972 120.300 0.098 0.000 2.377 79 Y HA 0.315 5.085 4.550 0.082 -0.171 0.339 79 Y C -0.011 175.927 175.900 0.063 0.000 1.011 79 Y CA -0.896 57.249 58.100 0.075 0.000 1.093 79 Y CB 1.931 40.422 38.460 0.051 0.000 1.201 79 Y HN -0.208 8.203 8.280 0.218 0.000 0.455 80 V N 1.382 121.431 119.914 0.224 0.000 2.409 80 V HA 0.370 4.572 4.120 0.136 0.000 0.291 80 V C -1.323 174.868 176.094 0.162 0.000 1.020 80 V CA -2.101 60.292 62.300 0.154 0.000 0.848 80 V CB 1.853 33.741 31.823 0.109 0.000 0.990 80 V HN 1.066 9.287 8.190 0.239 0.113 0.430 81 E N 6.910 127.188 120.200 0.130 0.000 2.175 81 E HA 0.782 5.426 4.350 0.150 -0.204 0.278 81 E C -0.195 176.466 176.600 0.102 0.000 0.969 81 E CA -1.376 55.097 56.400 0.122 0.000 0.796 81 E CB 1.290 31.048 29.700 0.096 0.000 1.104 81 E HN 0.244 8.671 8.360 0.111 0.000 0.395 82 V N 0.628 120.609 119.914 0.112 0.000 2.459 82 V HA 0.511 4.676 4.120 0.075 0.000 0.295 82 V C -0.253 175.896 176.094 0.092 0.000 1.029 82 V CA -1.633 60.722 62.300 0.091 0.000 0.874 82 V CB 1.994 33.869 31.823 0.088 0.000 0.985 82 V HN 0.615 8.886 8.190 0.135 0.000 0.438 83 T N 2.030 116.629 114.554 0.074 0.000 2.975 83 T HA 0.270 4.829 4.350 0.110 -0.142 0.257 83 T C 0.250 174.995 174.700 0.076 0.000 1.003 83 T CA -0.842 61.307 62.100 0.081 0.000 0.932 83 T CB 0.541 69.442 68.868 0.054 0.000 1.087 83 T HN 0.275 8.551 8.240 0.061 0.000 0.512 84 S N 3.226 118.958 115.700 0.053 0.000 2.481 84 S HA 0.029 4.522 4.470 0.038 0.000 0.276 84 S C 0.777 175.391 174.600 0.024 0.000 1.247 84 S CA 0.137 58.358 58.200 0.035 0.000 1.053 84 S CB 0.638 63.851 63.200 0.020 0.000 0.925 84 S HN -0.383 7.957 8.310 0.050 0.000 0.491 85 E N 7.512 127.723 120.200 0.018 0.000 2.085 85 E HA -0.483 3.848 4.350 -0.031 0.000 0.194 85 E C 1.932 178.489 176.600 -0.072 0.000 0.994 85 E CA 3.687 60.071 56.400 -0.028 0.000 0.801 85 E CB -0.156 29.528 29.700 -0.027 0.000 0.743 85 E HN 0.781 9.159 8.360 0.030 0.000 0.453 86 A N -1.692 121.093 122.820 -0.059 0.000 1.978 86 A HA -0.228 4.024 4.320 -0.115 0.000 0.220 86 A C 1.989 179.527 177.584 -0.077 0.000 1.170 86 A CA 2.919 54.907 52.037 -0.081 0.000 0.636 86 A CB -0.887 18.076 19.000 -0.062 0.000 0.810 86 A HN 0.320 8.448 8.150 -0.037 0.000 0.448 87 A N -2.000 120.794 122.820 -0.043 0.000 1.897 87 A HA -0.300 4.003 4.320 -0.029 0.000 0.215 87 A C 1.788 179.353 177.584 -0.032 0.000 1.181 87 A CA 2.696 54.719 52.037 -0.024 0.000 0.620 87 A CB -0.330 18.674 19.000 0.007 0.000 0.821 87 A HN -0.599 7.513 8.150 -0.029 0.021 0.443 88 I N -1.530 119.015 120.570 -0.042 0.000 2.353 88 I HA -0.516 3.642 4.170 -0.019 0.000 0.248 88 I C 1.717 177.764 176.117 -0.116 0.000 1.119 88 I CA 4.022 65.286 61.300 -0.060 0.000 1.417 88 I CB -0.165 37.791 38.000 -0.073 0.000 1.078 88 I HN -0.577 7.517 8.210 -0.039 0.092 0.421 89 V N 0.852 120.669 119.914 -0.163 0.000 2.255 89 V HA -0.526 3.459 4.120 -0.226 0.000 0.247 89 V C 1.920 177.873 176.094 -0.234 0.000 1.051 89 V CA 4.333 66.493 62.300 -0.232 0.000 1.018 89 V CB -1.227 30.427 31.823 -0.282 0.000 0.641 89 V HN 0.608 8.593 8.190 -0.150 0.115 0.445 90 A N -1.937 120.770 122.820 -0.188 0.000 1.902 90 A HA -0.411 3.783 4.320 -0.210 0.000 0.217 90 A C 1.819 179.387 177.584 -0.026 0.000 1.181 90 A CA 3.028 54.986 52.037 -0.133 0.000 0.623 90 A CB -0.737 18.205 19.000 -0.096 0.000 0.818 90 A HN -0.390 7.662 8.150 -0.163 0.000 0.443 91 Q N -0.323 119.459 119.800 -0.029 0.000 2.020 91 Q HA -0.291 4.039 4.340 -0.017 0.000 0.202 91 Q C 2.315 178.300 176.000 -0.024 0.000 0.982 91 Q CA 2.761 58.551 55.803 -0.021 0.000 0.838 91 Q CB -0.378 28.354 28.738 -0.010 0.000 0.899 91 Q HN -0.264 7.978 8.270 -0.047 0.000 0.423 92 L N -0.921 120.299 121.223 -0.005 0.000 2.079 92 L HA -0.353 3.958 4.340 -0.049 0.000 0.210 92 L C 2.347 179.281 176.870 0.107 0.000 1.081 92 L CA 3.485 58.335 54.840 0.016 0.000 0.752 92 L CB -1.124 40.931 42.059 -0.007 0.000 0.896 92 L HN 0.568 8.666 8.230 -0.026 0.116 0.433 93 F N -1.586 118.301 119.950 -0.106 0.000 2.134 93 F HA -0.402 4.074 4.527 -0.084 0.000 0.299 93 F C 1.817 177.571 175.800 -0.076 0.000 1.097 93 F CA 3.599 61.548 58.000 -0.085 0.000 1.264 93 F CB -0.762 38.194 39.000 -0.073 0.000 1.001 93 F HN -0.209 8.288 8.300 0.343 0.008 0.479 94 E N -0.714 119.547 120.200 0.101 0.000 2.158 94 E HA -0.230 4.133 4.350 0.022 0.000 0.191 94 E C 2.452 179.027 176.600 -0.042 0.000 0.982 94 E CA 2.467 58.878 56.400 0.018 0.000 0.823 94 E CB -0.345 29.364 29.700 0.015 0.000 0.766 94 E HN -0.407 7.945 8.360 0.117 0.078 0.468 95 L N -1.123 120.052 121.223 -0.081 0.000 2.027 95 L HA -0.258 3.990 4.340 -0.153 0.000 0.206 95 L C 1.913 178.726 176.870 -0.095 0.000 1.074 95 L CA 2.560 57.317 54.840 -0.137 0.000 0.745 95 L CB 0.262 42.191 42.059 -0.217 0.000 0.898 95 L HN 0.243 8.252 8.230 -0.060 0.184 0.433 96 L N -5.581 115.587 121.223 -0.092 0.000 2.509 96 L HA 0.042 4.334 4.340 -0.080 0.000 0.222 96 L C 0.686 177.491 176.870 -0.109 0.000 1.123 96 L CA -0.161 54.620 54.840 -0.099 0.000 0.856 96 L CB 0.443 42.432 42.059 -0.116 0.000 0.985 96 L HN -0.136 8.044 8.230 -0.085 0.000 0.456 97 G N -1.091 107.646 108.800 -0.105 0.000 2.545 97 G HA2 -0.325 3.594 3.960 -0.067 0.000 0.279 97 G HA3 -0.325 3.585 3.960 -0.082 0.000 0.279 97 G C -0.317 174.494 174.900 -0.149 0.000 1.131 97 G CA 0.303 45.346 45.100 -0.096 0.000 1.100 97 G HN -0.653 7.439 8.290 -0.090 0.144 0.525 98 S N 1.639 117.211 115.700 -0.214 0.000 2.357 98 S HA 0.033 4.307 4.470 -0.327 0.000 0.209 98 S C 1.819 176.313 174.600 -0.177 0.000 1.023 98 S CA 0.937 58.925 58.200 -0.353 0.000 0.933 98 S CB 0.929 63.564 63.200 -0.941 0.000 0.897 98 S HN 0.251 8.361 8.310 -0.166 0.101 0.529 99 G N -0.463 108.307 108.800 -0.050 0.000 2.159 99 G HA2 -0.322 3.678 3.960 0.067 0.000 0.256 99 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.256 99 G C -0.481 174.463 174.900 0.074 0.000 0.977 99 G CA 0.224 45.341 45.100 0.029 0.000 0.652 99 G HN 0.407 8.698 8.290 0.002 0.000 0.531 100 E N -0.796 119.474 120.200 0.116 0.000 2.330 100 E HA 0.151 4.564 4.350 0.106 0.000 0.256 100 E C -1.073 175.759 176.600 0.387 0.000 1.146 100 E CA -1.136 55.388 56.400 0.207 0.000 0.945 100 E CB 0.983 30.741 29.700 0.097 0.000 1.182 100 E HN -0.530 7.767 8.360 0.009 0.069 0.480 101 Q N -0.222 119.732 119.800 0.257 0.000 2.311 101 Q HA -0.185 4.187 4.340 0.053 0.000 0.272 101 Q C -0.607 175.382 176.000 -0.018 0.000 1.012 101 Q CA 0.176 56.043 55.803 0.107 0.000 0.891 101 Q CB 0.123 28.894 28.738 0.055 0.000 1.201 101 Q HN 0.255 8.644 8.270 0.197 0.000 0.391 102 K N 5.964 126.219 120.400 -0.242 0.000 2.416 102 K HA 0.008 3.707 4.320 -1.034 0.000 0.283 102 K C -0.398 176.036 176.600 -0.276 0.000 1.037 102 K CA -1.248 54.741 56.287 -0.498 0.000 0.995 102 K CB -0.467 31.800 32.500 -0.389 0.000 0.938 102 K HN 0.322 8.479 8.250 -0.156 0.000 0.475 103 P HA -0.096 4.284 4.420 -0.066 0.000 0.206 103 P C -0.987 176.244 177.300 -0.116 0.000 1.209 103 P CA 1.385 64.412 63.100 -0.121 0.000 0.923 103 P CB 0.786 32.443 31.700 -0.072 0.000 0.761 104 A N -3.742 118.999 122.820 -0.132 0.000 2.942 104 A HA 0.022 4.282 4.320 -0.101 0.000 0.188 104 A C -1.387 176.131 177.584 -0.110 0.000 1.448 104 A CA 0.407 52.383 52.037 -0.101 0.000 1.639 104 A CB 0.002 18.965 19.000 -0.061 0.000 1.513 104 A HN -0.317 7.735 8.150 -0.163 0.000 0.640 105 G N -3.447 105.287 108.800 -0.111 0.000 2.816 105 G HA2 0.482 4.369 3.960 -0.121 0.000 0.288 105 G HA3 0.482 4.440 3.960 -0.075 -0.044 0.288 105 G C -0.045 174.722 174.900 -0.222 0.000 1.334 105 G CA -1.012 44.013 45.100 -0.125 0.000 0.978 105 G HN -0.741 7.489 8.290 -0.100 0.000 0.493 106 V N 0.625 120.323 119.914 -0.360 0.000 2.427 106 V HA -0.329 3.471 4.120 -0.534 0.000 0.248 106 V C 1.625 177.321 176.094 -0.664 0.000 1.051 106 V CA 2.562 64.438 62.300 -0.707 0.000 1.048 106 V CB -0.556 30.409 31.823 -1.430 0.000 0.666 106 V HN 0.659 9.077 8.190 -0.283 -0.398 0.456 107 A N -0.820 121.792 122.820 -0.345 0.000 1.972 107 A HA -0.322 3.919 4.320 -0.131 0.000 0.219 107 A C 1.514 179.032 177.584 -0.109 0.000 1.169 107 A CA 3.301 55.277 52.037 -0.101 0.000 0.635 107 A CB -1.011 18.065 19.000 0.127 0.000 0.810 107 A HN 0.148 8.174 8.150 -0.206 0.000 0.446 108 A N -1.753 121.002 122.820 -0.108 0.000 1.897 108 A HA -0.217 4.082 4.320 -0.034 0.000 0.215 108 A C 1.769 179.323 177.584 -0.051 0.000 1.181 108 A CA 2.806 54.806 52.037 -0.062 0.000 0.620 108 A CB -0.492 18.477 19.000 -0.051 0.000 0.821 108 A HN -0.522 7.532 8.150 -0.126 0.020 0.443 109 V N -2.918 116.943 119.914 -0.089 0.000 2.548 109 V HA -0.377 3.851 4.120 0.179 0.000 0.249 109 V C 1.358 177.402 176.094 -0.083 0.000 1.055 109 V CA 3.381 65.693 62.300 0.020 0.000 1.065 109 V CB -0.387 31.465 31.823 0.049 0.000 0.681 109 V HN -0.697 7.308 8.190 -0.171 0.083 0.462 110 L N 1.026 122.122 121.223 -0.211 0.000 1.994 110 L HA -0.265 3.908 4.340 -0.278 0.000 0.208 110 L C 1.803 178.604 176.870 -0.115 0.000 1.071 110 L CA 3.640 58.329 54.840 -0.251 0.000 0.745 110 L CB -0.624 41.206 42.059 -0.381 0.000 0.892 110 L HN 0.242 8.201 8.230 -0.271 0.108 0.431 111 G N -4.305 104.453 108.800 -0.070 0.000 2.403 111 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.216 111 G HA3 -0.307 3.647 3.960 -0.009 0.000 0.216 111 G C 0.998 175.886 174.900 -0.021 0.000 1.154 111 G CA 2.244 47.331 45.100 -0.022 0.000 0.784 111 G HN -0.287 7.954 8.290 -0.082 0.000 0.538 112 S N 2.416 118.103 115.700 -0.022 0.000 2.357 112 S HA -0.114 4.344 4.470 -0.020 0.000 0.221 112 S C 1.526 176.084 174.600 -0.070 0.000 1.031 112 S CA 3.544 61.730 58.200 -0.024 0.000 0.982 112 S CB 0.068 63.281 63.200 0.022 0.000 0.853 112 S HN -0.422 7.800 8.310 -0.022 0.074 0.458 113 L N -3.167 118.001 121.223 -0.091 0.000 2.492 113 L HA -0.046 4.192 4.340 -0.169 0.000 0.223 113 L C -0.728 176.096 176.870 -0.076 0.000 1.132 113 L CA 0.519 55.281 54.840 -0.131 0.000 0.850 113 L CB 0.261 42.225 42.059 -0.159 0.000 0.966 113 L HN -0.160 7.912 8.230 -0.067 0.118 0.454 114 K N -4.494 115.878 120.400 -0.046 0.000 3.239 114 K HA -0.412 4.000 4.320 0.003 -0.090 0.270 114 K C -0.736 175.876 176.600 0.020 0.000 1.049 114 K CA 0.242 56.524 56.287 -0.009 0.000 0.769 114 K CB -3.218 29.276 32.500 -0.010 0.000 1.305 114 K HN -0.502 7.580 8.250 -0.051 0.138 0.469 115 L N -2.298 118.946 121.223 0.034 0.000 2.452 115 L HA -0.186 4.205 4.340 0.085 0.000 0.267 115 L C 0.444 177.454 176.870 0.233 0.000 1.188 115 L CA 0.269 55.179 54.840 0.117 0.000 0.821 115 L CB 0.772 42.908 42.059 0.127 0.000 1.102 115 L HN -0.576 7.648 8.230 -0.010 0.000 0.470 116 Q N 0.417 120.350 119.800 0.222 0.000 2.309 116 Q HA 0.228 4.683 4.340 0.191 0.000 0.264 116 Q C -1.176 174.861 176.000 0.063 0.000 1.008 116 Q CA -1.828 54.071 55.803 0.161 0.000 0.853 116 Q CB 2.716 31.486 28.738 0.055 0.000 1.314 116 Q HN 0.523 8.896 8.270 0.172 0.000 0.448 117 E N 5.723 125.820 120.200 -0.172 0.000 2.104 117 E HA -0.067 3.988 4.350 -0.832 -0.205 0.278 117 E C -1.285 175.148 176.600 -0.278 0.000 1.127 117 E CA 0.414 56.484 56.400 -0.550 0.000 0.897 117 E CB -0.459 28.834 29.700 -0.678 0.000 1.043 117 E HN 0.476 8.810 8.360 -0.043 0.000 0.410 118 V N 7.242 127.001 119.914 -0.259 0.000 3.565 118 V HA -0.048 3.958 4.120 -0.190 0.000 0.260 118 V C -2.493 173.316 176.094 -0.475 0.000 1.231 118 V CA -0.674 61.480 62.300 -0.244 0.000 1.100 118 V CB 1.804 33.547 31.823 -0.133 0.000 0.807 118 V HN 0.391 8.422 8.190 -0.263 0.000 0.454 119 A N -1.136 121.383 122.820 -0.502 0.000 2.465 119 A HA 0.376 4.258 4.320 -0.730 0.000 0.292 119 A C -3.060 174.330 177.584 -0.324 0.000 1.041 119 A CA 0.075 51.691 52.037 -0.703 0.000 0.718 119 A CB 2.182 20.406 19.000 -1.293 0.000 1.266 119 A HN -0.453 7.444 8.150 -0.358 0.038 0.403 120 S N 1.327 116.902 115.700 -0.208 0.000 2.614 120 S HA 1.044 5.825 4.470 0.158 -0.216 0.275 120 S C -1.639 173.036 174.600 0.124 0.000 1.161 120 S CA -1.516 56.699 58.200 0.026 0.000 0.969 120 S CB 2.978 66.169 63.200 -0.014 0.000 1.059 120 S HN -0.163 8.047 8.310 -0.167 0.000 0.482 121 F N -2.024 117.900 119.950 -0.044 0.000 2.779 121 F HA 0.377 4.732 4.527 -0.287 0.000 0.316 121 F C -2.971 172.736 175.800 -0.155 0.000 1.164 121 F CA -2.370 55.526 58.000 -0.173 0.000 0.924 121 F CB 0.732 39.630 39.000 -0.170 0.000 1.348 121 F HN 0.320 8.993 8.300 0.621 0.000 0.467 122 I N -0.597 119.928 120.570 -0.075 0.000 2.359 122 I HA 0.442 4.632 4.170 -0.246 -0.169 0.294 122 I C -0.247 175.639 176.117 -0.386 0.000 0.987 122 I CA -1.104 60.061 61.300 -0.224 0.000 1.225 122 I CB 1.857 39.766 38.000 -0.151 0.000 1.366 122 I HN 0.184 8.360 8.210 -0.056 0.000 0.466 123 T N 10.771 124.955 114.554 -0.617 0.000 2.728 123 T HA 0.391 4.601 4.350 -0.489 -0.154 0.296 123 T C -0.686 173.763 174.700 -0.419 0.000 0.940 123 T CA 0.086 61.801 62.100 -0.643 0.000 1.013 123 T CB 0.205 68.416 68.868 -1.095 0.000 0.912 123 T HN 1.091 8.758 8.240 -0.779 0.105 0.484 124 T N 10.533 124.934 114.554 -0.254 0.000 2.821 124 T HA 0.551 4.995 4.350 -0.112 -0.162 0.307 124 T C -1.570 173.076 174.700 -0.089 0.000 1.034 124 T CA -0.085 61.932 62.100 -0.138 0.000 0.953 124 T CB 1.251 70.057 68.868 -0.104 0.000 0.968 124 T HN 1.031 9.004 8.240 -0.255 0.114 0.462 125 R N 8.477 128.962 120.500 -0.025 0.000 2.393 125 R HA 0.918 5.490 4.340 -0.004 -0.235 0.310 125 R C -1.809 174.522 176.300 0.053 0.000 0.968 125 R CA -2.295 53.818 56.100 0.020 0.000 0.867 125 R CB 2.911 33.250 30.300 0.066 0.000 1.124 125 R HN 1.076 9.236 8.270 -0.006 0.107 0.450 126 S N 5.972 121.723 115.700 0.084 0.000 2.736 126 S HA 0.322 4.904 4.470 0.002 -0.111 0.285 126 S C -2.258 172.412 174.600 0.117 0.000 1.163 126 S CA -0.215 58.046 58.200 0.101 0.000 1.025 126 S CB 1.873 65.250 63.200 0.295 0.000 1.030 126 S HN 1.000 9.253 8.310 0.088 0.109 0.486 127 S N 7.988 123.637 115.700 -0.085 0.000 2.433 127 S HA 0.681 5.371 4.470 0.121 -0.147 0.310 127 S C -1.409 173.047 174.600 -0.239 0.000 1.097 127 S CA -1.327 56.853 58.200 -0.034 0.000 1.103 127 S CB 1.233 64.421 63.200 -0.020 0.000 0.992 127 S HN 0.792 8.998 8.310 -0.173 0.000 0.469 128 W N 6.966 128.278 121.300 0.020 0.000 2.781 128 W HA 0.971 5.922 4.660 0.014 -0.282 0.345 128 W C -1.129 175.395 176.519 0.008 0.000 1.085 128 W CA -2.045 55.307 57.345 0.013 0.000 1.198 128 W CB 4.340 33.805 29.460 0.008 0.000 1.423 128 W HN 1.277 9.553 8.180 0.354 0.117 0.532 129 K N 2.246 122.782 120.400 0.227 0.000 2.426 129 K HA 0.723 5.268 4.320 0.121 -0.152 0.254 129 K C -2.398 174.278 176.600 0.127 0.000 0.936 129 K CA -1.486 54.880 56.287 0.132 0.000 0.801 129 K CB 3.826 36.366 32.500 0.065 0.000 1.139 129 K HN 0.726 9.122 8.250 0.244 0.000 0.424 130 L N 6.460 127.736 121.223 0.089 0.000 2.325 130 L HA 0.398 4.781 4.340 0.072 0.000 0.281 130 L C -2.775 174.117 176.870 0.036 0.000 1.004 130 L CA -1.545 53.332 54.840 0.061 0.000 0.823 130 L CB 3.768 45.849 42.059 0.036 0.000 1.236 130 L HN 1.101 9.270 8.230 0.077 0.108 0.415 131 A N 6.696 129.535 122.820 0.031 0.000 2.320 131 A HA 0.098 4.429 4.320 0.020 0.000 0.287 131 A C -0.703 176.890 177.584 0.014 0.000 1.181 131 A CA -0.866 51.183 52.037 0.020 0.000 0.831 131 A CB 0.279 19.288 19.000 0.016 0.000 1.102 131 A HN 0.250 8.422 8.150 0.036 0.000 0.513 132 L N 4.087 125.319 121.223 0.015 0.000 2.436 132 L HA 0.099 4.446 4.340 0.011 0.000 0.265 132 L C -0.545 176.336 176.870 0.018 0.000 1.168 132 L CA 0.589 55.439 54.840 0.016 0.000 0.815 132 L CB 0.602 42.675 42.059 0.024 0.000 1.109 132 L HN 0.310 8.550 8.230 0.017 0.000 0.462 133 S N -1.976 113.737 115.700 0.022 0.000 2.714 133 S HA 0.368 4.981 4.470 0.021 -0.130 0.280 133 S C -1.032 173.588 174.600 0.034 0.000 1.200 133 S CA -1.299 56.913 58.200 0.021 0.000 0.900 133 S CB 2.157 65.360 63.200 0.005 0.000 1.235 133 S HN -0.003 8.319 8.310 0.021 0.000 0.512 134 G N -0.833 107.986 108.800 0.032 0.000 2.347 134 G HA2 -0.064 3.910 3.960 0.024 0.000 0.224 134 G HA3 -0.064 3.924 3.960 0.048 0.000 0.224 134 G C -0.403 174.525 174.900 0.045 0.000 1.318 134 G CA 0.231 45.354 45.100 0.038 0.000 1.016 134 G HN -0.252 8.050 8.290 0.019 0.000 0.469 135 A N 0.011 122.864 122.820 0.056 0.000 2.067 135 A HA -0.045 4.298 4.320 0.038 0.000 0.219 135 A C 0.236 177.879 177.584 0.098 0.000 1.158 135 A CA 1.794 53.865 52.037 0.057 0.000 0.661 135 A CB -0.526 18.501 19.000 0.045 0.000 0.801 135 A HN 0.242 8.422 8.150 0.051 0.000 0.452 136 H N -2.449 116.622 119.070 0.001 0.000 2.529 136 H HA -0.096 4.461 4.556 0.002 0.000 0.277 136 H C 1.001 176.330 175.328 0.003 0.000 0.999 136 H CA -0.153 55.897 56.048 0.002 0.000 1.256 136 H CB 0.458 30.222 29.762 0.002 0.000 1.402 136 H HN -0.205 8.140 8.280 0.180 0.043 0.566 137 G N -0.675 108.100 108.800 -0.041 0.000 3.487 137 G HA2 -0.516 3.415 3.960 -0.048 0.000 0.295 137 G HA3 -0.516 3.368 3.960 -0.126 0.000 0.295 137 G C -1.580 173.235 174.900 -0.141 0.000 1.454 137 G CA 0.156 45.196 45.100 -0.100 0.000 1.039 137 G HN -0.294 7.842 8.290 0.030 0.173 0.624 138 Q N 5.997 125.651 119.800 -0.243 0.000 2.307 138 Q HA -0.026 4.255 4.340 -0.099 0.000 0.259 138 Q C -1.004 174.887 176.000 -0.181 0.000 0.998 138 Q CA 0.343 56.038 55.803 -0.179 0.000 0.923 138 Q CB 0.682 29.329 28.738 -0.151 0.000 1.196 138 Q HN -0.106 7.974 8.270 -0.317 0.000 0.416 139 E N 7.360 127.535 120.200 -0.042 0.000 2.392 139 E HA 0.426 4.835 4.350 0.099 0.000 0.269 139 E C -2.067 174.551 176.600 0.030 0.000 0.924 139 E CA -3.829 52.600 56.400 0.049 0.000 0.784 139 E CB 3.157 32.910 29.700 0.088 0.000 1.292 139 E HN -0.175 8.165 8.360 -0.033 0.000 0.447 140 P HA 0.031 4.465 4.420 0.023 0.000 0.269 140 P C -1.408 175.905 177.300 0.021 0.000 1.209 140 P CA -0.240 62.877 63.100 0.028 0.000 0.776 140 P CB 0.635 32.355 31.700 0.033 0.000 0.876 141 Q N 1.030 120.839 119.800 0.016 0.000 2.296 141 Q HA 0.373 4.882 4.340 0.020 -0.157 0.257 141 Q C -0.120 175.892 176.000 0.020 0.000 0.942 141 Q CA -0.224 55.590 55.803 0.018 0.000 0.939 141 Q CB 1.156 29.903 28.738 0.016 0.000 1.198 141 Q HN 0.243 8.521 8.270 0.013 0.000 0.429 142 L N 2.390 123.628 121.223 0.024 0.000 2.330 142 L HA 0.629 5.036 4.340 0.022 -0.054 0.271 142 L C -1.289 175.606 176.870 0.040 0.000 1.013 142 L CA -1.687 53.168 54.840 0.026 0.000 0.816 142 L CB 1.995 44.065 42.059 0.018 0.000 1.287 142 L HN 0.924 9.071 8.230 0.026 0.098 0.435 143 T N 3.005 117.585 114.554 0.043 0.000 2.829 143 T HA 0.540 5.074 4.350 0.080 -0.137 0.282 143 T C -0.995 173.752 174.700 0.077 0.000 0.990 143 T CA 0.501 62.639 62.100 0.063 0.000 1.028 143 T CB 1.447 70.342 68.868 0.046 0.000 0.951 143 T HN 0.981 9.140 8.240 0.034 0.102 0.460 144 I N 6.157 126.801 120.570 0.123 0.000 2.410 144 I HA 0.463 4.889 4.170 0.098 -0.197 0.286 144 I C -2.367 173.864 176.117 0.190 0.000 1.009 144 I CA -0.994 60.388 61.300 0.137 0.000 1.111 144 I CB 2.637 40.713 38.000 0.128 0.000 1.262 144 I HN 1.262 9.445 8.210 0.161 0.124 0.443 145 D N 8.013 128.498 120.400 0.142 0.000 2.381 145 D HA 0.505 5.397 4.640 0.176 -0.146 0.235 145 D C -1.012 175.359 176.300 0.119 0.000 1.068 145 D CA -1.740 52.340 54.000 0.134 0.000 0.832 145 D CB 2.642 43.489 40.800 0.079 0.000 1.101 145 D HN 0.708 9.039 8.370 0.113 0.107 0.515 146 L N 6.568 127.877 121.223 0.144 0.000 2.292 146 L HA 0.622 5.206 4.340 0.034 -0.224 0.284 146 L C -0.948 175.916 176.870 -0.009 0.000 1.065 146 L CA -0.375 54.505 54.840 0.066 0.000 0.806 146 L CB 1.260 43.376 42.059 0.095 0.000 1.175 146 L HN 1.134 9.376 8.230 0.215 0.116 0.431 147 D N 4.861 125.196 120.400 -0.109 0.000 2.471 147 D HA 0.473 5.148 4.640 -0.115 -0.104 0.245 147 D C -1.290 174.720 176.300 -0.483 0.000 1.116 147 D CA -1.061 52.830 54.000 -0.181 0.000 0.853 147 D CB 2.732 43.486 40.800 -0.077 0.000 1.123 147 D HN 1.220 9.390 8.370 -0.128 0.123 0.540 148 S N 5.067 120.526 115.700 -0.402 0.000 2.632 148 S HA 0.447 4.422 4.470 -0.972 -0.089 0.289 148 S C -2.047 172.381 174.600 -0.286 0.000 1.115 148 S CA -1.970 55.930 58.200 -0.501 0.000 0.889 148 S CB 3.721 66.743 63.200 -0.296 0.000 1.116 148 S HN 0.705 8.766 8.310 -0.247 0.101 0.486 149 A N -1.200 121.535 122.820 -0.141 0.000 2.527 149 A HA 0.942 5.425 4.320 -0.201 -0.283 0.293 149 A C -0.795 176.796 177.584 0.011 0.000 1.117 149 A CA -2.001 50.002 52.037 -0.057 0.000 0.723 149 A CB 3.826 22.862 19.000 0.060 0.000 1.313 149 A HN 0.422 8.374 8.150 -0.153 0.107 0.411 150 D N 0.977 121.367 120.400 -0.016 0.000 2.117 150 D HA -0.259 4.334 4.640 -0.078 0.000 0.197 150 D C 0.878 177.161 176.300 -0.028 0.000 0.987 150 D CA 2.999 56.950 54.000 -0.083 0.000 0.829 150 D CB 0.513 41.181 40.800 -0.220 0.000 0.961 150 D HN -0.066 8.263 8.370 -0.069 0.000 0.460 151 F N -0.468 119.685 119.950 0.338 0.000 2.605 151 F HA 0.056 4.696 4.527 0.188 0.000 0.352 151 F C -0.102 175.814 175.800 0.194 0.000 1.236 151 F CA -1.333 56.830 58.000 0.272 0.000 1.267 151 F CB -1.639 37.572 39.000 0.352 0.000 1.632 151 F HN -0.515 8.065 8.300 0.467 0.000 0.639 152 G N 2.989 111.942 108.800 0.254 0.000 2.352 152 G HA2 -0.479 3.541 3.960 0.100 0.000 0.283 152 G HA3 -0.479 3.552 3.960 0.120 0.000 0.283 152 G C -1.760 173.264 174.900 0.207 0.000 0.946 152 G CA 0.886 46.080 45.100 0.158 0.000 1.317 152 G HN -0.036 8.315 8.290 0.196 0.057 0.478 153 Y N 1.109 121.424 120.300 0.025 0.000 2.441 153 Y HA 0.316 4.847 4.550 -0.031 0.000 0.334 153 Y C -3.212 172.661 175.900 -0.045 0.000 1.061 153 Y CA -1.284 56.810 58.100 -0.011 0.000 1.032 153 Y CB 2.619 41.090 38.460 0.018 0.000 1.266 153 Y HN -0.813 7.561 8.280 0.157 0.000 0.441 154 A N 7.149 129.737 122.820 -0.388 0.000 2.456 154 A HA 0.323 4.369 4.320 -0.681 -0.135 0.288 154 A C -2.922 174.408 177.584 -0.423 0.000 1.042 154 A CA -0.313 51.425 52.037 -0.500 0.000 0.738 154 A CB 2.715 21.561 19.000 -0.256 0.000 1.266 154 A HN 0.166 8.277 8.150 -0.065 0.000 0.407 155 V N 3.139 122.778 119.914 -0.459 0.000 2.709 155 V HA 0.695 4.852 4.120 -0.184 -0.147 0.308 155 V C -1.416 174.620 176.094 -0.097 0.000 1.062 155 V CA -1.119 61.065 62.300 -0.193 0.000 0.901 155 V CB 4.833 36.653 31.823 -0.004 0.000 1.003 155 V HN 0.857 8.566 8.190 -0.613 0.113 0.425 156 G N 4.580 113.386 108.800 0.011 0.000 2.448 156 G HA2 0.754 4.966 3.960 0.083 0.000 0.324 156 G HA3 0.754 4.858 3.960 0.240 0.000 0.324 156 G C -2.751 172.237 174.900 0.147 0.000 1.203 156 G CA -1.604 43.572 45.100 0.127 0.000 0.954 156 G HN 1.153 9.312 8.290 -0.014 0.123 0.480 157 E N 2.793 123.063 120.200 0.117 0.000 2.191 157 E HA 0.507 5.044 4.350 0.110 -0.121 0.263 157 E C -1.399 175.253 176.600 0.086 0.000 0.881 157 E CA -1.182 55.278 56.400 0.099 0.000 0.757 157 E CB 3.448 33.193 29.700 0.074 0.000 1.147 157 E HN 0.338 8.654 8.360 0.109 0.109 0.414 158 V N 6.019 125.976 119.914 0.072 0.000 2.370 158 V HA 0.573 4.920 4.120 0.051 -0.196 0.283 158 V C -1.610 174.505 176.094 0.035 0.000 1.023 158 V CA -0.964 61.362 62.300 0.043 0.000 0.857 158 V CB 1.300 33.126 31.823 0.005 0.000 0.985 158 V HN 1.094 9.331 8.190 0.078 0.000 0.443 159 E N 8.371 128.591 120.200 0.034 0.000 2.218 159 E HA 0.942 5.595 4.350 0.026 -0.288 0.263 159 E C -2.094 174.519 176.600 0.022 0.000 0.879 159 E CA -2.475 53.941 56.400 0.027 0.000 0.762 159 E CB 3.884 33.602 29.700 0.029 0.000 1.166 159 E HN 1.093 9.363 8.360 0.039 0.113 0.415 160 A N 5.602 128.433 122.820 0.018 0.000 2.354 160 A HA 0.575 4.905 4.320 0.016 0.000 0.321 160 A C -2.362 175.231 177.584 0.015 0.000 1.125 160 A CA -1.975 50.072 52.037 0.016 0.000 0.799 160 A CB 3.751 22.760 19.000 0.015 0.000 1.293 160 A HN 1.004 9.165 8.150 0.018 0.000 0.452 161 M N 0.710 120.317 119.600 0.012 0.000 2.134 161 M HA 0.967 5.661 4.480 0.011 -0.208 0.310 161 M C -0.441 175.870 176.300 0.018 0.000 0.966 161 M CA -0.818 54.487 55.300 0.008 0.000 0.922 161 M CB 2.036 34.630 32.600 -0.010 0.000 1.537 161 M HN 0.392 8.690 8.290 0.013 0.000 0.424 162 V N -2.605 117.329 119.914 0.032 0.000 2.680 162 V HA 0.499 4.657 4.120 0.062 0.000 0.309 162 V C -1.186 174.972 176.094 0.107 0.000 1.052 162 V CA -2.524 59.812 62.300 0.061 0.000 0.908 162 V CB 3.079 34.934 31.823 0.054 0.000 1.001 162 V HN 0.519 8.727 8.190 0.030 0.000 0.431 163 H N 4.537 123.616 119.070 0.014 0.000 2.551 163 H HA 0.013 4.731 4.556 0.011 -0.156 0.266 163 H C -0.849 174.486 175.328 0.010 0.000 0.964 163 H CA -0.089 55.966 56.048 0.012 0.000 1.180 163 H CB 0.883 30.653 29.762 0.013 0.000 1.408 163 H HN 0.413 8.805 8.280 0.186 0.000 0.563 164 E N -1.853 118.416 120.200 0.114 0.000 2.176 164 E HA 0.065 4.418 4.350 0.005 0.000 0.267 164 E C -0.327 176.295 176.600 0.036 0.000 0.893 164 E CA -1.306 55.117 56.400 0.038 0.000 0.761 164 E CB 0.783 30.494 29.700 0.019 0.000 1.133 164 E HN -0.481 7.900 8.360 0.118 0.050 0.409 165 K N 7.417 127.830 120.400 0.023 0.000 2.288 165 K HA -0.231 4.105 4.320 0.027 0.000 0.201 165 K C 1.071 177.678 176.600 0.012 0.000 1.048 165 K CA 2.597 58.896 56.287 0.020 0.000 0.956 165 K CB -0.036 32.473 32.500 0.016 0.000 0.746 165 K HN 0.695 8.953 8.250 0.013 0.000 0.461 166 A N -2.007 120.816 122.820 0.005 0.000 2.014 166 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 166 A C 0.375 177.960 177.584 0.000 0.000 1.163 166 A CA 2.152 54.189 52.037 -0.000 0.000 0.652 166 A CB -0.753 18.243 19.000 -0.007 0.000 0.808 166 A HN 0.043 8.154 8.150 0.004 0.041 0.449 167 E N -3.705 116.499 120.200 0.007 0.000 2.474 167 E HA 0.066 4.416 4.350 -0.001 0.000 0.195 167 E C 1.173 177.781 176.600 0.013 0.000 1.039 167 E CA -0.260 56.144 56.400 0.007 0.000 0.881 167 E CB -0.273 29.434 29.700 0.012 0.000 0.970 167 E HN -0.597 7.747 8.360 0.013 0.024 0.486 168 V N 2.713 122.636 119.914 0.015 0.000 2.233 168 V HA -0.369 3.762 4.120 0.019 0.000 0.247 168 V C -0.250 175.850 176.094 0.009 0.000 1.050 168 V CA 6.521 68.830 62.300 0.015 0.000 1.010 168 V CB -2.306 29.527 31.823 0.017 0.000 0.637 168 V HN -0.629 7.378 8.190 0.015 0.192 0.444 169 P HA -0.207 4.216 4.420 0.003 0.000 0.216 169 P C 0.853 178.153 177.300 -0.000 0.000 1.150 169 P CA 3.152 66.253 63.100 0.002 0.000 0.843 169 P CB -0.972 30.728 31.700 0.000 0.000 0.787 170 A N -1.856 120.964 122.820 -0.001 0.000 1.841 170 A HA -0.237 4.079 4.320 -0.006 0.000 0.214 170 A C 1.916 179.500 177.584 -0.000 0.000 1.195 170 A CA 2.812 54.847 52.037 -0.003 0.000 0.611 170 A CB -0.825 18.172 19.000 -0.005 0.000 0.835 170 A HN -0.117 7.930 8.150 0.000 0.103 0.443 171 A N -1.176 121.647 122.820 0.005 0.000 1.877 171 A HA -0.265 4.059 4.320 0.007 0.000 0.216 171 A C 1.936 179.519 177.584 -0.001 0.000 1.186 171 A CA 2.931 54.972 52.037 0.006 0.000 0.620 171 A CB -0.680 18.328 19.000 0.014 0.000 0.822 171 A HN -0.083 8.071 8.150 0.008 0.000 0.443 172 L N -1.642 119.582 121.223 0.001 0.000 2.046 172 L HA -0.444 3.894 4.340 -0.003 0.000 0.208 172 L C 1.638 178.502 176.870 -0.011 0.000 1.077 172 L CA 3.281 58.120 54.840 -0.002 0.000 0.747 172 L CB 0.052 42.114 42.059 0.005 0.000 0.896 172 L HN 0.562 8.687 8.230 0.005 0.109 0.432 173 E N -1.104 119.090 120.200 -0.010 0.000 2.150 173 E HA -0.391 3.949 4.350 -0.015 0.000 0.193 173 E C 2.412 178.996 176.600 -0.026 0.000 0.985 173 E CA 3.307 59.698 56.400 -0.015 0.000 0.814 173 E CB -0.325 29.368 29.700 -0.010 0.000 0.752 173 E HN -0.064 8.186 8.360 -0.006 0.107 0.466 174 K N 0.232 120.618 120.400 -0.024 0.000 2.063 174 K HA -0.256 4.043 4.320 -0.034 0.000 0.208 174 K C 2.403 178.970 176.600 -0.055 0.000 1.048 174 K CA 2.725 58.992 56.287 -0.033 0.000 0.928 174 K CB -0.711 31.776 32.500 -0.021 0.000 0.713 174 K HN -0.427 7.813 8.250 -0.016 0.000 0.442 175 I N 0.153 120.692 120.570 -0.052 0.000 2.127 175 I HA -0.517 3.599 4.170 -0.090 0.000 0.241 175 I C 1.863 177.909 176.117 -0.118 0.000 1.075 175 I CA 4.312 65.566 61.300 -0.077 0.000 1.334 175 I CB -0.187 37.786 38.000 -0.045 0.000 1.040 175 I HN -0.102 8.013 8.210 -0.034 0.074 0.405 176 I N -1.063 119.459 120.570 -0.079 0.000 2.315 176 I HA -0.420 3.691 4.170 -0.099 0.000 0.248 176 I C 2.229 178.286 176.117 -0.099 0.000 1.117 176 I CA 2.397 63.650 61.300 -0.078 0.000 1.404 176 I CB -1.763 36.221 38.000 -0.027 0.000 1.071 176 I HN 0.078 8.257 8.210 -0.051 0.000 0.419 177 T N 3.848 118.354 114.554 -0.079 0.000 2.708 177 T HA -0.282 4.036 4.350 -0.054 0.000 0.266 177 T C 2.442 177.079 174.700 -0.106 0.000 1.037 177 T CA 4.733 66.791 62.100 -0.071 0.000 1.146 177 T CB 0.094 68.933 68.868 -0.049 0.000 0.865 177 T HN 0.177 8.378 8.240 -0.065 0.000 0.435 178 V N 1.031 120.864 119.914 -0.136 0.000 2.427 178 V HA -0.370 3.675 4.120 -0.125 0.000 0.248 178 V C 1.953 177.876 176.094 -0.286 0.000 1.051 178 V CA 3.636 65.835 62.300 -0.168 0.000 1.048 178 V CB -0.994 30.737 31.823 -0.154 0.000 0.666 178 V HN -0.044 8.072 8.190 -0.123 0.000 0.456 179 S N 0.964 116.400 115.700 -0.439 0.000 2.345 179 S HA -0.335 3.384 4.470 -1.252 0.000 0.220 179 S C 2.093 176.409 174.600 -0.473 0.000 1.031 179 S CA 4.291 61.918 58.200 -0.956 0.000 0.996 179 S CB -0.235 62.262 63.200 -1.172 0.000 0.882 179 S HN -0.114 7.981 8.310 -0.343 0.009 0.445 180 S N 1.244 116.852 115.700 -0.153 0.000 2.419 180 S HA -0.308 4.404 4.470 0.165 -0.143 0.235 180 S C 0.888 175.505 174.600 0.029 0.000 1.019 180 S CA 2.490 60.710 58.200 0.033 0.000 0.982 180 S CB 0.119 63.330 63.200 0.018 0.000 0.789 180 S HN 0.136 8.238 8.310 -0.165 0.109 0.490 181 M N 0.405 119.984 119.600 -0.034 0.000 2.254 181 M HA -0.230 4.245 4.480 -0.007 0.000 0.265 181 M C 0.740 177.043 176.300 0.004 0.000 1.066 181 M CA 2.158 57.445 55.300 -0.023 0.000 1.123 181 M CB 0.676 33.244 32.600 -0.054 0.000 1.388 181 M HN -0.627 7.495 8.290 -0.089 0.115 0.425 182 L N -2.635 118.594 121.223 0.010 0.000 2.416 182 L HA 0.190 4.553 4.340 0.039 0.000 0.216 182 L C -0.512 176.532 176.870 0.290 0.000 1.098 182 L CA 0.074 54.970 54.840 0.092 0.000 0.840 182 L CB 1.936 43.997 42.059 0.003 0.000 0.981 182 L HN -0.471 7.573 8.230 -0.068 0.145 0.462 183 G N -3.950 105.113 108.800 0.439 0.000 2.725 183 G HA2 0.225 4.261 3.960 0.126 0.000 0.098 183 G HA3 0.225 4.434 3.960 0.222 -0.115 0.098 183 G C -2.689 172.400 174.900 0.315 0.000 1.188 183 G CA 0.719 46.007 45.100 0.314 0.000 1.237 183 G HN -0.334 8.061 8.290 0.345 0.101 0.596 184 V N -2.772 117.242 119.914 0.168 0.000 2.623 184 V HA 0.671 4.925 4.120 0.224 0.000 0.304 184 V C -2.821 173.398 176.094 0.208 0.000 1.054 184 V CA -3.838 58.555 62.300 0.155 0.000 0.882 184 V CB 2.016 33.849 31.823 0.016 0.000 1.002 184 V HN 0.074 8.081 8.190 -0.304 0.000 0.424 185 P HA -0.056 4.641 4.420 0.461 0.000 0.264 185 P C -1.469 175.910 177.300 0.131 0.000 1.193 185 P CA 0.204 63.469 63.100 0.274 0.000 0.763 185 P CB -0.401 31.393 31.700 0.156 0.000 0.810 186 A N 5.131 128.022 122.820 0.118 0.000 2.580 186 A HA 0.191 4.533 4.320 0.037 0.000 0.275 186 A C -1.210 176.415 177.584 0.068 0.000 1.321 186 A CA -0.744 51.329 52.037 0.059 0.000 0.924 186 A CB 1.704 20.722 19.000 0.031 0.000 1.512 186 A HN 0.109 8.262 8.150 0.182 0.106 0.492 187 Q N -6.356 113.479 119.800 0.059 0.000 1.656 187 Q HA -0.045 4.331 4.340 0.060 0.000 0.159 187 Q C -0.906 175.129 176.000 0.058 0.000 0.744 187 Q CA -0.086 55.752 55.803 0.057 0.000 0.767 187 Q CB 0.776 29.544 28.738 0.050 0.000 1.205 187 Q HN -0.010 8.292 8.270 0.054 0.000 0.368 188 E N 0.240 120.477 120.200 0.062 0.000 2.374 188 E HA 0.010 4.401 4.350 0.070 0.000 0.260 188 E C 0.550 177.189 176.600 0.066 0.000 1.101 188 E CA -0.578 55.864 56.400 0.069 0.000 0.907 188 E CB 0.619 30.365 29.700 0.077 0.000 1.014 188 E HN -0.264 8.133 8.360 0.061 0.000 0.427 189 E N 0.625 120.864 120.200 0.066 0.000 2.352 189 E HA -0.178 4.205 4.350 0.055 0.000 0.197 189 E C -1.500 175.132 176.600 0.055 0.000 1.224 189 E CA -0.519 55.916 56.400 0.058 0.000 1.118 189 E CB -2.640 27.095 29.700 0.058 0.000 1.198 189 E HN 0.414 8.817 8.360 0.072 0.000 0.454 190 A N -0.934 121.922 122.820 0.060 0.000 1.745 190 A HA -0.238 4.132 4.320 0.084 0.000 0.374 190 A C -2.615 174.994 177.584 0.041 0.000 0.861 190 A CA -0.161 51.913 52.037 0.063 0.000 0.509 190 A CB -0.918 18.116 19.000 0.057 0.000 2.176 190 A HN -0.269 7.761 8.150 0.066 0.160 0.304 191 P HA 0.120 4.507 4.420 -0.055 0.000 0.285 191 P C -1.759 175.511 177.300 -0.050 0.000 1.259 191 P CA -0.582 62.484 63.100 -0.057 0.000 0.794 191 P CB 1.137 32.710 31.700 -0.212 0.000 0.940 192 A N 3.949 126.707 122.820 -0.103 0.000 2.272 192 A HA 0.064 4.363 4.320 -0.035 0.000 0.275 192 A C 0.822 178.322 177.584 -0.139 0.000 1.096 192 A CA -1.199 50.776 52.037 -0.103 0.000 0.822 192 A CB 1.365 20.256 19.000 -0.181 0.000 1.088 192 A HN 0.273 8.352 8.150 -0.119 0.000 0.495 193 K N 0.609 120.938 120.400 -0.119 0.000 2.044 193 K HA -0.335 3.857 4.320 -0.214 0.000 0.210 193 K C 1.917 178.594 176.600 0.128 0.000 1.049 193 K CA 3.101 59.274 56.287 -0.190 0.000 0.927 193 K CB -0.908 31.253 32.500 -0.565 0.000 0.713 193 K HN 0.344 8.536 8.250 -0.096 0.000 0.443 194 L N -2.513 118.746 121.223 0.060 0.000 2.275 194 L HA -0.076 4.461 4.340 0.329 0.000 0.215 194 L C 2.361 179.296 176.870 0.108 0.000 1.119 194 L CA 2.885 57.781 54.840 0.093 0.000 0.790 194 L CB -0.995 40.942 42.059 -0.204 0.000 0.919 194 L HN -0.122 8.065 8.230 -0.071 0.000 0.443 195 M N -0.114 119.459 119.600 -0.045 0.000 2.254 195 M HA -0.224 4.294 4.480 0.063 0.000 0.265 195 M C 1.648 177.891 176.300 -0.094 0.000 1.066 195 M CA 2.812 58.093 55.300 -0.032 0.000 1.123 195 M CB -0.485 32.065 32.600 -0.083 0.000 1.388 195 M HN -0.768 7.304 8.290 -0.122 0.144 0.425 196 V N 0.110 119.935 119.914 -0.149 0.000 2.379 196 V HA -0.445 3.463 4.120 -0.354 0.000 0.245 196 V C 1.679 177.802 176.094 0.047 0.000 1.044 196 V CA 4.169 66.345 62.300 -0.206 0.000 1.036 196 V CB -1.176 30.407 31.823 -0.399 0.000 0.664 196 V HN -0.250 7.732 8.190 -0.138 0.125 0.453 197 Y N 1.069 121.447 120.300 0.131 0.000 2.151 197 Y HA -0.433 4.221 4.550 0.173 0.000 0.284 197 Y C 1.786 177.756 175.900 0.116 0.000 1.166 197 Y CA 3.938 62.106 58.100 0.112 0.000 1.163 197 Y CB -0.271 38.166 38.460 -0.039 0.000 0.974 197 Y HN 0.031 8.378 8.280 0.407 0.176 0.511 198 L N -2.771 118.423 121.223 -0.049 0.000 2.007 198 L HA -0.511 3.642 4.340 -0.311 0.000 0.205 198 L C 2.145 178.946 176.870 -0.116 0.000 1.073 198 L CA 2.885 57.663 54.840 -0.104 0.000 0.744 198 L CB -0.563 41.563 42.059 0.112 0.000 0.898 198 L HN -0.320 7.889 8.230 0.116 0.090 0.435 199 Q N -1.687 117.963 119.800 -0.250 0.000 2.234 199 Q HA -0.358 3.726 4.340 -0.427 0.000 0.206 199 Q C 2.172 177.969 176.000 -0.339 0.000 0.980 199 Q CA 2.733 58.205 55.803 -0.551 0.000 0.869 199 Q CB -0.442 27.612 28.738 -1.141 0.000 0.912 199 Q HN 0.129 8.255 8.270 -0.240 0.000 0.436 200 R N -1.422 118.899 120.500 -0.298 0.000 2.057 200 R HA -0.183 3.935 4.340 -0.370 0.000 0.229 200 R C 1.670 177.645 176.300 -0.542 0.000 1.136 200 R CA 2.354 58.207 56.100 -0.411 0.000 0.952 200 R CB 0.577 30.617 30.300 -0.434 0.000 0.848 200 R HN -0.058 8.040 8.270 -0.237 0.030 0.430 201 F N -3.350 116.403 119.950 -0.329 0.000 2.622 201 F HA 0.074 4.453 4.527 -0.247 0.000 0.288 201 F C 0.374 176.022 175.800 -0.254 0.000 1.120 201 F CA 1.359 59.162 58.000 -0.329 0.000 1.423 201 F CB 1.693 40.394 39.000 -0.498 0.000 1.127 201 F HN -0.709 7.494 8.300 -0.162 0.000 0.588 202 R N -2.711 117.742 120.500 -0.079 0.000 2.734 202 R HA 0.509 4.833 4.340 -0.025 0.000 0.268 202 R C -2.654 173.669 176.300 0.037 0.000 1.785 202 R CA -2.752 53.323 56.100 -0.042 0.000 1.461 202 R CB -0.654 29.596 30.300 -0.084 0.000 1.308 202 R HN 0.340 8.423 8.270 -0.120 0.114 0.586 203 P HA -0.136 4.520 4.420 0.394 0.000 0.217 203 P C 0.334 177.762 177.300 0.213 0.000 1.151 203 P CA 2.229 65.472 63.100 0.237 0.000 0.828 203 P CB 0.202 31.983 31.700 0.135 0.000 0.788 204 L N -2.417 118.851 121.223 0.074 0.000 2.156 204 L HA -0.237 4.087 4.340 -0.027 0.000 0.208 204 L C 1.198 178.065 176.870 -0.006 0.000 1.095 204 L CA 2.778 57.622 54.840 0.007 0.000 0.770 204 L CB -0.944 41.115 42.059 0.000 0.000 0.914 204 L HN -0.112 8.150 8.230 0.054 0.000 0.439 205 D N -0.958 119.463 120.400 0.034 0.000 2.144 205 D HA -0.317 4.335 4.640 0.021 0.000 0.200 205 D C 1.626 177.974 176.300 0.079 0.000 0.978 205 D CA 3.210 57.234 54.000 0.041 0.000 0.833 205 D CB -0.112 40.709 40.800 0.034 0.000 0.961 205 D HN -0.321 8.061 8.370 0.044 0.015 0.470 206 Y N 0.211 120.515 120.300 0.008 0.000 2.128 206 Y HA -0.495 4.086 4.550 0.051 0.000 0.284 206 Y C 1.647 177.564 175.900 0.028 0.000 1.154 206 Y CA 2.804 60.916 58.100 0.020 0.000 1.149 206 Y CB -0.424 38.027 38.460 -0.015 0.000 0.976 206 Y HN -0.108 8.300 8.280 0.214 0.000 0.505 207 Q N -1.133 118.299 119.800 -0.613 0.000 2.096 207 Q HA -0.444 3.362 4.340 -0.889 0.000 0.204 207 Q C 2.537 178.396 176.000 -0.235 0.000 0.982 207 Q CA 3.508 58.958 55.803 -0.587 0.000 0.850 207 Q CB -0.382 28.122 28.738 -0.391 0.000 0.901 207 Q HN -0.006 7.955 8.270 -0.403 0.068 0.422 208 R N -1.308 119.127 120.500 -0.108 0.000 2.083 208 R HA -0.285 4.040 4.340 -0.026 0.000 0.237 208 R C 2.701 179.013 176.300 0.020 0.000 1.137 208 R CA 2.256 58.342 56.100 -0.023 0.000 0.951 208 R CB -0.737 29.572 30.300 0.014 0.000 0.851 208 R HN -0.294 7.824 8.270 -0.099 0.092 0.434 209 L N -0.443 120.808 121.223 0.048 0.000 2.044 209 L HA -0.191 4.239 4.340 0.150 0.000 0.205 209 L C 1.569 178.485 176.870 0.077 0.000 1.075 209 L CA 2.350 57.261 54.840 0.117 0.000 0.747 209 L CB -0.190 41.991 42.059 0.203 0.000 0.903 209 L HN -0.686 7.561 8.230 0.034 0.003 0.435 210 L N -0.317 120.906 121.223 -0.001 0.000 1.990 210 L HA -0.371 4.007 4.340 0.064 0.000 0.213 210 L C 1.942 178.812 176.870 -0.000 0.000 1.072 210 L CA 3.177 58.011 54.840 -0.010 0.000 0.755 210 L CB -0.264 41.695 42.059 -0.167 0.000 0.889 210 L HN 0.514 8.518 8.230 -0.073 0.182 0.432 211 E N -2.786 117.393 120.200 -0.035 0.000 2.160 211 E HA -0.280 4.064 4.350 -0.010 0.000 0.195 211 E C 1.996 178.621 176.600 0.041 0.000 0.991 211 E CA 2.619 59.014 56.400 -0.007 0.000 0.810 211 E CB -0.237 29.449 29.700 -0.024 0.000 0.742 211 E HN 0.087 8.397 8.360 -0.084 0.000 0.466 212 A N -2.484 120.381 122.820 0.075 0.000 1.984 212 A HA -0.086 4.303 4.320 0.114 0.000 0.214 212 A C 0.518 178.204 177.584 0.171 0.000 1.173 212 A CA 1.836 53.956 52.037 0.138 0.000 0.673 212 A CB -0.051 19.070 19.000 0.201 0.000 0.830 212 A HN -0.769 7.279 8.150 0.061 0.138 0.453 213 A N -2.678 120.229 122.820 0.144 0.000 2.507 213 A HA 0.169 4.606 4.320 0.196 0.000 0.270 213 A C -0.944 176.699 177.584 0.099 0.000 1.318 213 A CA -0.824 51.301 52.037 0.146 0.000 0.924 213 A CB -0.344 18.728 19.000 0.120 0.000 1.061 213 A HN 0.024 8.041 8.150 0.114 0.201 0.516 214 S N -0.403 115.347 115.700 0.083 0.000 3.900 214 S HA 0.020 4.527 4.470 0.062 0.000 0.248 214 S C -0.901 173.737 174.600 0.062 0.000 1.310 214 S CA 0.790 59.028 58.200 0.064 0.000 0.915 214 S CB -0.926 62.303 63.200 0.047 0.000 1.588 214 S HN -0.200 8.073 8.310 0.086 0.089 0.472 215 S N 4.227 119.966 115.700 0.065 0.000 2.461 215 S HA 0.316 4.892 4.470 0.052 -0.074 0.216 215 S C -1.344 173.288 174.600 0.053 0.000 1.201 215 S CA -0.013 58.222 58.200 0.059 0.000 1.171 215 S CB 1.445 64.687 63.200 0.069 0.000 1.169 215 S HN -0.088 8.213 8.310 0.067 0.049 0.456 216 G N 1.995 110.824 108.800 0.048 0.000 2.605 216 G HA2 0.212 4.198 3.960 0.044 0.000 0.296 216 G HA3 0.212 4.200 3.960 0.048 0.001 0.296 216 G C -1.968 172.958 174.900 0.043 0.000 1.304 216 G CA -1.143 43.984 45.100 0.046 0.000 0.941 216 G HN 0.052 8.717 8.290 0.047 -0.347 0.475 217 E N 0.233 120.458 120.200 0.042 0.000 2.104 217 E HA -0.147 4.224 4.350 0.036 0.000 0.278 217 E C -1.587 175.038 176.600 0.042 0.000 1.127 217 E CA 0.249 56.672 56.400 0.040 0.000 0.897 217 E CB -1.421 28.302 29.700 0.037 0.000 1.043 217 E HN 0.243 8.629 8.360 0.043 0.000 0.410 218 A N 5.044 127.888 122.820 0.039 0.000 2.480 218 A HA 0.239 4.772 4.320 0.040 -0.189 0.302 218 A C -1.322 176.282 177.584 0.034 0.000 1.151 218 A CA -0.234 51.826 52.037 0.040 0.000 0.907 218 A CB 1.028 20.055 19.000 0.045 0.000 1.487 218 A HN -0.200 7.972 8.150 0.036 0.000 0.396 219 T N 2.168 116.741 114.554 0.031 0.000 3.065 219 T HA 0.064 4.431 4.350 0.027 0.000 0.234 219 T C 0.732 175.447 174.700 0.025 0.000 1.017 219 T CA 0.040 62.156 62.100 0.027 0.000 1.292 219 T CB 1.510 70.393 68.868 0.025 0.000 1.005 219 T HN 0.605 9.268 8.240 0.031 -0.404 0.423 220 G N 2.139 110.953 108.800 0.024 0.000 2.340 220 G HA2 -0.124 3.850 3.960 0.022 0.000 0.106 220 G HA3 -0.124 3.849 3.960 0.021 0.000 0.106 220 G C -1.702 173.210 174.900 0.020 0.000 2.445 220 G CA 0.138 45.251 45.100 0.022 0.000 1.363 220 G HN 0.055 8.359 8.290 0.025 0.000 0.412 221 D N -1.298 119.114 120.400 0.020 0.000 2.514 221 D HA -0.022 4.631 4.640 0.021 0.000 0.225 221 D C -1.045 175.268 176.300 0.022 0.000 1.159 221 D CA 0.297 54.309 54.000 0.020 0.000 0.823 221 D CB 1.688 42.498 40.800 0.017 0.000 1.097 221 D HN 0.041 8.423 8.370 0.019 0.000 0.519 222 S N -1.088 114.625 115.700 0.022 0.000 2.756 222 S HA 0.197 4.682 4.470 0.024 0.000 0.303 222 S C -0.895 173.719 174.600 0.022 0.000 1.135 222 S CA -0.680 57.534 58.200 0.022 0.000 1.066 222 S CB 1.432 64.644 63.200 0.020 0.000 1.008 222 S HN -0.759 7.563 8.310 0.021 0.000 0.482 223 A N 6.779 129.613 122.820 0.023 0.000 1.872 223 A HA -0.112 4.221 4.320 0.022 0.000 0.214 223 A C 0.460 178.056 177.584 0.021 0.000 1.187 223 A CA 1.420 53.470 52.037 0.022 0.000 0.614 223 A CB 0.153 19.165 19.000 0.021 0.000 0.826 223 A HN 0.559 8.823 8.150 0.025 -0.099 0.442 224 S N 0.000 115.712 115.700 0.021 0.000 2.498 224 S HA 0.000 4.481 4.470 0.019 0.000 0.327 224 S CA 0.000 58.211 58.200 0.019 0.000 1.107 224 S CB 0.000 63.211 63.200 0.019 0.000 0.593 224 S HN 0.000 8.670 8.310 0.022 -0.347 0.517