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 3de2_1_X DATA FIRST_RESID 1 DATA SEQUENCE AAQTNAPWGL ARISSTSPGT STYYYDESAG QGScVYVIDT GIEASHPEFE DATA SEQUENCE GRAQMVKTYY YSSRDGNGHG THCAGTVGSR TYGVAKKTQL FGVKVLDDNG DATA SEQUENCE SGQYSTIIAG MDFVASDKNN RNcPKGVVAS LSLGGGYSSS VNSAAARLQS DATA SEQUENCE SGVMVAVAAG NNNADARNYS PASEPSVcTV GASDRYDRRS SFSNYGSVLD DATA SEQUENCE IFGPGTSILS TWIGGSTRSI SGTSMATPHV AGLAAYLMTL GKTTAASAcR DATA SEQUENCE YIADTANKGD LSNIPFGTVN LLAYNNYQA 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 A HA 0.000 4.320 4.320 0.000 0.000 0.244 1 A C 0.000 177.349 177.584 -0.392 0.000 1.274 1 A CA 0.000 51.756 52.037 -0.468 0.000 0.836 1 A CB 0.000 18.438 19.000 -0.937 0.000 0.831 2 A N 0.908 123.618 122.820 -0.184 0.000 2.353 2 A HA 0.741 5.077 4.320 0.027 0.000 0.299 2 A C -0.643 176.912 177.584 -0.048 0.000 1.089 2 A CA -0.262 51.746 52.037 -0.047 0.000 0.736 2 A CB 1.272 20.363 19.000 0.153 0.000 1.195 2 A HN 0.997 9.147 8.150 0.000 0.000 0.447 3 Q N 2.469 122.252 119.800 -0.029 0.000 2.368 3 Q HA 0.454 4.810 4.340 0.027 0.000 0.263 3 Q C -0.104 175.887 176.000 -0.015 0.000 1.009 3 Q CA -0.422 55.405 55.803 0.041 0.000 0.818 3 Q CB 0.870 29.708 28.738 0.166 0.000 1.239 3 Q HN 0.833 9.103 8.270 0.000 0.000 0.464 4 T N 1.268 115.814 114.554 -0.013 0.000 2.899 4 T HA 0.201 4.568 4.350 0.027 0.000 0.295 4 T C 0.432 175.130 174.700 -0.003 0.000 1.033 4 T CA -0.488 61.604 62.100 -0.012 0.000 1.084 4 T CB 0.482 69.355 68.868 0.008 0.000 0.979 4 T HN 0.810 9.050 8.240 0.000 0.000 0.532 5 N N -0.084 118.620 118.700 0.006 0.000 2.725 5 N HA -0.160 4.596 4.740 0.027 0.000 0.251 5 N C 0.174 175.692 175.510 0.014 0.000 1.031 5 N CA 0.814 53.875 53.050 0.019 0.000 0.720 5 N CB -1.556 36.944 38.487 0.021 0.000 0.930 5 N HN 1.099 9.479 8.380 0.000 0.000 0.543 6 A N 0.270 123.095 122.820 0.010 0.000 2.313 6 A HA 0.548 4.884 4.320 0.027 0.000 0.261 6 A C -1.742 175.850 177.584 0.014 0.000 1.090 6 A CA -0.881 51.152 52.037 -0.007 0.000 0.807 6 A CB 0.095 19.101 19.000 0.010 0.000 1.055 6 A HN 0.023 8.173 8.150 0.000 0.000 0.492 7 P HA -0.094 4.326 4.420 0.000 0.000 0.265 7 P C 0.987 178.273 177.300 -0.023 0.000 1.187 7 P CA 0.043 63.151 63.100 0.013 0.000 0.766 7 P CB 0.247 31.931 31.700 -0.028 0.000 0.820 8 W N 2.995 124.292 121.300 -0.006 0.000 2.350 8 W HA -0.137 4.538 4.660 0.025 0.000 0.289 8 W C 1.234 177.725 176.519 -0.046 0.000 1.215 8 W CA 1.373 58.696 57.345 -0.036 0.000 1.236 8 W CB -1.891 27.531 29.460 -0.063 0.000 1.130 8 W HN 0.394 8.574 8.180 0.000 0.000 0.541 9 G N 2.115 110.329 108.800 -0.976 0.000 2.402 9 G HA2 -0.179 3.797 3.960 0.027 0.000 0.216 9 G HA3 -0.179 3.797 3.960 0.027 0.000 0.216 9 G C 1.828 176.458 174.900 -0.451 0.000 1.162 9 G CA 1.281 45.733 45.100 -1.080 0.000 0.777 9 G HN 0.268 8.558 8.290 0.000 0.000 0.539 10 L N 0.648 121.659 121.223 -0.354 0.000 1.994 10 L HA -0.091 4.266 4.340 0.027 0.000 0.208 10 L C 3.454 180.146 176.870 -0.296 0.000 1.071 10 L CA 1.195 55.692 54.840 -0.571 0.000 0.745 10 L CB -0.666 40.939 42.059 -0.757 0.000 0.892 10 L HN 0.318 8.548 8.230 0.000 0.000 0.431 11 A N 0.271 123.043 122.820 -0.081 0.000 1.892 11 A HA -0.293 4.044 4.320 0.027 0.000 0.218 11 A C 2.350 180.019 177.584 0.142 0.000 1.188 11 A CA 2.158 54.248 52.037 0.088 0.000 0.631 11 A CB -0.564 18.490 19.000 0.089 0.000 0.822 11 A HN 0.290 8.440 8.150 0.000 0.000 0.447 12 R N -0.028 120.530 120.500 0.098 0.000 2.096 12 R HA 0.005 4.361 4.340 0.027 0.000 0.235 12 R C 1.764 178.148 176.300 0.140 0.000 1.127 12 R CA 1.458 57.639 56.100 0.136 0.000 0.968 12 R CB -0.532 29.871 30.300 0.171 0.000 0.861 12 R HN 0.526 8.796 8.270 0.000 0.000 0.440 13 I N 0.481 121.108 120.570 0.095 0.000 2.614 13 I HA -0.148 4.038 4.170 0.027 0.000 0.258 13 I C 0.908 177.249 176.117 0.373 0.000 1.189 13 I CA 1.551 62.954 61.300 0.173 0.000 1.462 13 I CB -0.394 37.629 38.000 0.038 0.000 1.092 13 I HN 0.274 8.484 8.210 0.000 0.000 0.442 14 S N -1.770 114.184 115.700 0.424 0.000 2.575 14 S HA 0.179 4.666 4.470 0.027 0.000 0.237 14 S C 0.495 175.456 174.600 0.603 0.000 0.975 14 S CA -0.526 58.002 58.200 0.547 0.000 0.960 14 S CB 0.267 63.800 63.200 0.553 0.000 0.822 14 S HN 0.185 8.495 8.310 0.000 0.000 0.472 15 S N 1.170 117.128 115.700 0.429 0.000 2.542 15 S HA 0.493 4.979 4.470 0.027 0.000 0.293 15 S C 1.013 175.522 174.600 -0.151 0.000 1.089 15 S CA -0.143 58.190 58.200 0.222 0.000 0.961 15 S CB 1.556 64.872 63.200 0.194 0.000 1.062 15 S HN 0.408 8.718 8.310 0.000 0.000 0.483 16 T N 0.384 114.828 114.554 -0.183 0.000 3.085 16 T HA 0.197 4.564 4.350 0.027 0.000 0.263 16 T C 0.666 175.279 174.700 -0.146 0.000 1.127 16 T CA 0.559 62.481 62.100 -0.297 0.000 1.103 16 T CB -0.481 68.293 68.868 -0.157 0.000 0.921 16 T HN 0.785 9.025 8.240 0.000 0.000 0.510 17 S N 0.442 116.109 115.700 -0.056 0.000 2.556 17 S HA 0.671 5.158 4.470 0.027 0.000 0.271 17 S C -3.371 171.237 174.600 0.013 0.000 1.135 17 S CA -1.658 56.528 58.200 -0.023 0.000 0.858 17 S CB 2.167 65.361 63.200 -0.011 0.000 1.114 17 S HN 0.028 8.338 8.310 0.000 0.000 0.468 18 P HA 0.455 4.875 4.420 0.000 0.000 0.274 18 P C 0.863 178.165 177.300 0.002 0.000 1.256 18 P CA 0.782 63.883 63.100 0.001 0.000 0.795 18 P CB 0.069 31.747 31.700 -0.037 0.000 1.038 19 G N -1.151 107.634 108.800 -0.026 0.000 2.132 19 G HA2 -0.151 3.826 3.960 0.027 0.000 0.234 19 G HA3 -0.151 3.826 3.960 0.027 0.000 0.234 19 G C 0.174 175.091 174.900 0.029 0.000 0.989 19 G CA 0.326 45.413 45.100 -0.021 0.000 0.676 19 G HN 0.942 9.232 8.290 0.000 0.000 0.522 20 T N -2.650 111.942 114.554 0.064 0.000 2.942 20 T HA 0.764 5.131 4.350 0.027 0.000 0.289 20 T C 0.948 175.702 174.700 0.091 0.000 1.044 20 T CA 0.529 62.682 62.100 0.089 0.000 1.023 20 T CB 1.996 70.942 68.868 0.131 0.000 1.123 20 T HN 1.177 9.417 8.240 0.000 0.000 0.512 21 S N -0.832 114.912 115.700 0.073 0.000 2.780 21 S HA 0.283 4.770 4.470 0.027 0.000 0.248 21 S C 0.163 174.771 174.600 0.013 0.000 1.036 21 S CA -0.523 57.714 58.200 0.060 0.000 1.061 21 S CB -0.035 63.199 63.200 0.057 0.000 1.037 21 S HN 0.774 9.084 8.310 0.000 0.000 0.584 22 T N 2.783 117.308 114.554 -0.048 0.000 2.794 22 T HA 0.442 4.809 4.350 0.027 0.000 0.280 22 T C -1.438 173.041 174.700 -0.368 0.000 0.987 22 T CA -0.302 61.661 62.100 -0.228 0.000 0.993 22 T CB 0.912 69.574 68.868 -0.344 0.000 0.939 22 T HN 0.325 8.565 8.240 0.000 0.000 0.449 23 Y N 3.670 123.741 120.300 -0.383 0.000 2.326 23 Y HA 0.476 5.041 4.550 0.025 0.000 0.337 23 Y C -1.383 174.350 175.900 -0.279 0.000 1.023 23 Y CA -1.994 55.948 58.100 -0.263 0.000 1.143 23 Y CB 0.272 38.681 38.460 -0.084 0.000 1.183 23 Y HN 0.587 8.867 8.280 0.000 0.000 0.485 24 Y N 7.295 127.581 120.300 -0.023 0.000 2.352 24 Y HA 0.520 5.088 4.550 0.030 0.000 0.339 24 Y C -1.029 174.644 175.900 -0.378 0.000 0.992 24 Y CA -0.935 57.104 58.100 -0.101 0.000 1.100 24 Y CB 1.076 39.674 38.460 0.231 0.000 1.192 24 Y HN 0.550 8.830 8.280 0.000 0.000 0.458 25 Y N -0.792 119.088 120.300 -0.699 0.000 2.592 25 Y HA 0.337 4.902 4.550 0.025 0.000 0.334 25 Y C -1.277 173.970 175.900 -1.089 0.000 1.136 25 Y CA -1.835 55.652 58.100 -1.022 0.000 1.042 25 Y CB 0.880 38.818 38.460 -0.871 0.000 1.325 25 Y HN 0.551 8.831 8.280 0.000 0.000 0.457 26 D N 2.896 122.865 120.400 -0.718 0.000 2.424 26 D HA -0.015 4.642 4.640 0.027 0.000 0.244 26 D C 0.769 177.060 176.300 -0.016 0.000 1.134 26 D CA 0.280 54.086 54.000 -0.324 0.000 0.881 26 D CB 1.175 41.919 40.800 -0.094 0.000 1.191 26 D HN 0.852 9.222 8.370 0.000 0.000 0.445 27 E N 1.907 122.064 120.200 -0.072 0.000 2.338 27 E HA -0.160 4.207 4.350 0.027 0.000 0.197 27 E C 1.708 178.355 176.600 0.077 0.000 1.007 27 E CA 0.439 56.850 56.400 0.019 0.000 0.849 27 E CB -0.355 29.325 29.700 -0.032 0.000 0.774 27 E HN 0.490 8.850 8.360 0.000 0.000 0.506 28 S N 1.822 117.538 115.700 0.027 0.000 2.402 28 S HA -0.071 4.415 4.470 0.027 0.000 0.233 28 S C 1.701 176.324 174.600 0.037 0.000 1.030 28 S CA 1.198 59.398 58.200 -0.000 0.000 1.003 28 S CB -0.556 62.604 63.200 -0.067 0.000 0.813 28 S HN 0.569 8.879 8.310 0.000 0.000 0.477 29 A N 0.433 123.329 122.820 0.126 0.000 2.799 29 A HA 0.100 4.437 4.320 0.027 0.000 0.287 29 A C 1.663 179.311 177.584 0.107 0.000 1.484 29 A CA 1.139 53.290 52.037 0.190 0.000 0.813 29 A CB -2.368 16.718 19.000 0.143 0.000 1.009 29 A HN 2.351 10.501 8.150 0.000 0.000 0.545 30 G N -2.182 106.654 108.800 0.060 0.000 2.148 30 G HA2 -0.250 3.727 3.960 0.027 0.000 0.254 30 G HA3 -0.250 3.727 3.960 0.027 0.000 0.254 30 G C 0.068 174.963 174.900 -0.009 0.000 0.981 30 G CA 1.339 46.453 45.100 0.024 0.000 0.670 30 G HN 1.957 10.247 8.290 0.000 0.000 0.528 31 Q N -0.374 119.419 119.800 -0.012 0.000 2.286 31 Q HA 0.403 4.759 4.340 0.027 0.000 0.290 31 Q C 1.626 177.612 176.000 -0.024 0.000 1.049 31 Q CA 1.844 57.636 55.803 -0.018 0.000 0.923 31 Q CB -0.037 28.694 28.738 -0.012 0.000 1.183 31 Q HN 1.717 9.987 8.270 0.000 0.000 0.383 32 G N 2.314 111.102 108.800 -0.021 0.000 2.179 32 G HA2 -0.298 3.679 3.960 0.027 0.000 0.260 32 G HA3 -0.298 3.679 3.960 0.027 0.000 0.260 32 G C 0.015 174.912 174.900 -0.005 0.000 0.977 32 G CA 0.358 45.451 45.100 -0.011 0.000 0.641 32 G HN 0.976 9.266 8.290 0.000 0.000 0.533 33 S N -1.343 114.349 115.700 -0.014 0.000 2.713 33 S HA 0.795 5.282 4.470 0.027 0.000 0.283 33 S C 0.054 174.644 174.600 -0.016 0.000 1.161 33 S CA -0.192 58.007 58.200 -0.002 0.000 0.999 33 S CB 2.568 65.766 63.200 -0.003 0.000 1.039 33 S HN 0.921 9.231 8.310 0.000 0.000 0.548 34 c N 1.082 119.694 118.600 0.020 0.000 2.626 34 c HA 0.781 5.367 4.570 0.027 0.000 0.310 34 c C -0.664 173.427 174.090 0.001 0.000 1.191 34 c CA -0.628 55.687 56.329 -0.022 0.000 1.517 34 c CB 1.141 43.785 42.510 0.224 0.000 2.102 34 c HN 0.758 8.988 8.230 0.000 0.000 0.479 35 V N 2.649 122.485 119.914 -0.129 0.000 2.483 35 V HA 0.343 4.479 4.120 0.027 0.000 0.297 35 V C -1.114 174.957 176.094 -0.039 0.000 1.027 35 V CA -0.589 61.703 62.300 -0.012 0.000 0.855 35 V CB 0.987 32.790 31.823 -0.033 0.000 0.995 35 V HN 0.788 8.978 8.190 0.000 0.000 0.424 36 Y N 3.201 123.576 120.300 0.125 0.000 2.359 36 Y HA 0.421 4.987 4.550 0.027 0.000 0.334 36 Y C 0.387 176.335 175.900 0.081 0.000 1.058 36 Y CA -0.270 57.925 58.100 0.159 0.000 1.244 36 Y CB 1.330 39.898 38.460 0.180 0.000 1.187 36 Y HN 0.400 8.680 8.280 0.000 0.000 0.510 37 V N 6.356 126.372 119.914 0.171 0.000 2.328 37 V HA 0.282 4.418 4.120 0.027 0.000 0.278 37 V C -0.020 176.161 176.094 0.145 0.000 1.021 37 V CA -0.774 61.590 62.300 0.107 0.000 0.838 37 V CB 0.639 32.467 31.823 0.007 0.000 0.999 37 V HN 0.582 8.772 8.190 0.000 0.000 0.447 38 I N 5.155 125.818 120.570 0.155 0.000 2.307 38 I HA 0.496 4.683 4.170 0.027 0.000 0.287 38 I C 0.128 176.324 176.117 0.131 0.000 1.054 38 I CA 0.441 61.835 61.300 0.156 0.000 1.218 38 I CB 0.469 38.557 38.000 0.147 0.000 1.398 38 I HN 0.694 8.904 8.210 0.000 0.000 0.475 39 D N 2.428 122.903 120.400 0.126 0.000 4.052 39 D HA 0.015 4.671 4.640 0.027 0.000 0.347 39 D C 0.809 177.162 176.300 0.089 0.000 1.574 39 D CA 0.089 54.164 54.000 0.124 0.000 0.972 39 D CB 1.029 41.919 40.800 0.149 0.000 1.472 39 D HN 0.357 8.727 8.370 0.000 0.000 0.623 40 T N -0.781 113.814 114.554 0.068 0.000 3.148 40 T HA 0.477 4.843 4.350 0.027 0.000 0.253 40 T C 1.030 175.717 174.700 -0.021 0.000 1.134 40 T CA 1.229 63.325 62.100 -0.007 0.000 1.051 40 T CB -0.054 68.790 68.868 -0.040 0.000 0.959 40 T HN 0.870 9.110 8.240 0.000 0.000 0.525 41 G N 0.745 109.547 108.800 0.004 0.000 2.483 41 G HA2 0.123 4.099 3.960 0.027 0.000 0.521 41 G HA3 0.123 4.099 3.960 0.027 0.000 0.521 41 G C -1.307 173.563 174.900 -0.049 0.000 1.278 41 G CA -0.637 44.453 45.100 -0.016 0.000 0.965 41 G HN 0.584 8.874 8.290 0.000 0.000 0.504 42 I N -0.088 120.439 120.570 -0.071 0.000 2.569 42 I HA 0.356 4.543 4.170 0.027 0.000 0.290 42 I C 0.093 176.179 176.117 -0.052 0.000 1.088 42 I CA -0.645 60.590 61.300 -0.108 0.000 1.047 42 I CB 2.285 40.126 38.000 -0.265 0.000 1.237 42 I HN 0.696 8.906 8.210 0.000 0.000 0.421 43 E N 4.952 125.179 120.200 0.045 0.000 1.791 43 E HA 0.232 4.598 4.350 0.027 0.000 0.263 43 E C 1.022 177.756 176.600 0.223 0.000 1.213 43 E CA -0.050 56.421 56.400 0.117 0.000 0.991 43 E CB 0.803 30.594 29.700 0.152 0.000 1.068 43 E HN 0.803 9.163 8.360 0.000 0.000 0.417 44 A N 3.120 125.985 122.820 0.075 0.000 2.076 44 A HA -0.185 4.151 4.320 0.027 0.000 0.220 44 A C 2.084 179.791 177.584 0.205 0.000 1.160 44 A CA 1.625 53.699 52.037 0.061 0.000 0.653 44 A CB -0.310 18.676 19.000 -0.024 0.000 0.801 44 A HN 0.639 8.789 8.150 0.000 0.000 0.455 45 S N -1.361 114.442 115.700 0.173 0.000 2.562 45 S HA -0.018 4.468 4.470 0.027 0.000 0.221 45 S C 0.616 175.319 174.600 0.171 0.000 0.975 45 S CA 0.034 58.315 58.200 0.135 0.000 0.918 45 S CB -0.769 62.473 63.200 0.070 0.000 0.772 45 S HN 0.696 9.006 8.310 0.000 0.000 0.531 46 H N 3.125 122.292 119.070 0.162 0.000 3.070 46 H HA 0.137 4.708 4.556 0.027 0.000 0.313 46 H C -1.707 173.608 175.328 -0.022 0.000 0.997 46 H CA -1.201 54.870 56.048 0.037 0.000 1.438 46 H CB 0.780 30.502 29.762 -0.067 0.000 1.455 46 H HN 0.049 8.329 8.280 0.000 0.000 0.575 47 P HA -0.197 4.223 4.420 0.000 0.000 0.218 47 P C 0.955 178.310 177.300 0.091 0.000 1.146 47 P CA 1.131 64.297 63.100 0.110 0.000 0.813 47 P CB 0.276 32.009 31.700 0.055 0.000 0.778 48 E N -1.939 118.315 120.200 0.091 0.000 2.409 48 E HA -0.078 4.288 4.350 0.027 0.000 0.198 48 E C 1.171 177.583 176.600 -0.313 0.000 1.024 48 E CA 0.866 57.125 56.400 -0.235 0.000 0.861 48 E CB -0.315 29.064 29.700 -0.535 0.000 0.788 48 E HN 0.373 8.733 8.360 0.000 0.000 0.521 49 F N 0.400 120.355 119.950 0.009 0.000 2.714 49 F HA 0.131 4.676 4.527 0.030 0.000 0.294 49 F C 0.858 176.641 175.800 -0.028 0.000 1.120 49 F CA 0.044 58.023 58.000 -0.036 0.000 1.398 49 F CB 0.170 39.145 39.000 -0.041 0.000 1.120 49 F HN -0.095 8.205 8.300 0.000 0.000 0.589 50 E N -0.402 119.884 120.200 0.142 0.000 2.722 50 E HA -0.268 4.099 4.350 0.027 0.000 0.265 50 E C 1.468 178.107 176.600 0.065 0.000 1.081 50 E CA 0.309 56.755 56.400 0.076 0.000 0.781 50 E CB -1.792 27.934 29.700 0.043 0.000 1.372 50 E HN 0.607 8.967 8.360 0.000 0.000 0.423 51 G N -0.169 108.681 108.800 0.082 0.000 2.199 51 G HA2 -0.398 3.579 3.960 0.027 0.000 0.254 51 G HA3 -0.398 3.579 3.960 0.027 0.000 0.254 51 G C 0.730 175.635 174.900 0.008 0.000 0.982 51 G CA 0.483 45.609 45.100 0.043 0.000 0.632 51 G HN 0.346 8.636 8.290 0.000 0.000 0.529 52 R N 0.474 120.977 120.500 0.005 0.000 2.310 52 R HA 0.538 4.895 4.340 0.027 0.000 0.202 52 R C 1.245 177.432 176.300 -0.188 0.000 0.933 52 R CA 0.716 56.769 56.100 -0.077 0.000 1.054 52 R CB 0.358 30.619 30.300 -0.064 0.000 0.985 52 R HN 0.563 8.833 8.270 0.000 0.000 0.489 53 A N 1.037 123.752 122.820 -0.175 0.000 2.325 53 A HA 0.479 4.815 4.320 0.027 0.000 0.333 53 A C -0.769 176.702 177.584 -0.189 0.000 1.155 53 A CA -0.354 51.483 52.037 -0.333 0.000 0.814 53 A CB 1.337 19.949 19.000 -0.646 0.000 1.206 53 A HN 0.126 8.276 8.150 0.000 0.000 0.482 54 Q N 1.096 120.798 119.800 -0.163 0.000 2.320 54 Q HA 0.397 4.753 4.340 0.027 0.000 0.272 54 Q C -1.460 174.547 176.000 0.012 0.000 1.023 54 Q CA -0.825 54.966 55.803 -0.020 0.000 0.855 54 Q CB 1.767 30.567 28.738 0.103 0.000 1.367 54 Q HN 0.733 9.003 8.270 0.000 0.000 0.406 55 M N 3.319 122.922 119.600 0.005 0.000 2.188 55 M HA 0.098 4.594 4.480 0.027 0.000 0.354 55 M C 0.724 177.049 176.300 0.042 0.000 1.342 55 M CA 0.254 55.562 55.300 0.013 0.000 1.117 55 M CB 0.824 33.415 32.600 -0.016 0.000 1.670 55 M HN 0.680 8.970 8.290 0.000 0.000 0.466 56 V N 0.702 120.659 119.914 0.071 0.000 3.635 56 V HA 0.403 4.540 4.120 0.027 0.000 0.266 56 V C 0.257 176.313 176.094 -0.063 0.000 1.316 56 V CA 0.309 62.658 62.300 0.081 0.000 1.060 56 V CB 0.114 32.052 31.823 0.192 0.000 0.820 56 V HN 0.796 8.986 8.190 0.000 0.000 0.447 57 K N -0.161 120.126 120.400 -0.188 0.000 2.572 57 K HA 0.646 4.982 4.320 0.027 0.000 0.263 57 K C -1.068 175.313 176.600 -0.364 0.000 0.932 57 K CA 0.425 56.417 56.287 -0.491 0.000 0.838 57 K CB 2.090 33.908 32.500 -1.136 0.000 1.366 57 K HN 0.231 8.481 8.250 0.000 0.000 0.425 58 T N 2.214 116.492 114.554 -0.460 0.000 2.900 58 T HA 0.499 4.865 4.350 0.027 0.000 0.303 58 T C -0.976 173.368 174.700 -0.594 0.000 1.142 58 T CA -0.306 61.606 62.100 -0.312 0.000 1.007 58 T CB 0.553 69.346 68.868 -0.126 0.000 1.156 58 T HN 0.484 8.724 8.240 0.000 0.000 0.490 59 Y N 1.442 121.571 120.300 -0.285 0.000 2.584 59 Y HA 0.436 5.003 4.550 0.027 0.000 0.254 59 Y C -0.314 175.028 175.900 -0.929 0.000 1.177 59 Y CA -0.566 57.189 58.100 -0.575 0.000 1.216 59 Y CB 0.349 38.438 38.460 -0.617 0.000 1.172 59 Y HN 0.509 8.789 8.280 0.000 0.000 0.529 60 Y N -3.353 116.706 120.300 -0.402 0.000 2.686 60 Y HA 0.234 4.801 4.550 0.028 0.000 0.330 60 Y C 0.580 175.888 175.900 -0.986 0.000 1.082 60 Y CA -1.879 55.663 58.100 -0.930 0.000 1.158 60 Y CB 0.195 38.418 38.460 -0.394 0.000 1.333 60 Y HN -0.100 8.180 8.280 0.000 0.000 0.519 61 Y N -0.813 119.583 120.300 0.161 0.000 2.403 61 Y HA -0.008 4.559 4.550 0.027 0.000 0.291 61 Y C 1.211 177.139 175.900 0.048 0.000 1.143 61 Y CA 0.891 59.033 58.100 0.071 0.000 1.257 61 Y CB -0.144 38.355 38.460 0.066 0.000 0.984 61 Y HN 0.294 8.574 8.280 0.000 0.000 0.550 62 S N -0.910 114.849 115.700 0.098 0.000 2.595 62 S HA 0.387 4.873 4.470 0.027 0.000 0.281 62 S C 0.699 175.307 174.600 0.013 0.000 1.117 62 S CA -0.279 57.949 58.200 0.047 0.000 0.873 62 S CB 1.298 64.536 63.200 0.064 0.000 1.108 62 S HN 0.151 8.461 8.310 0.000 0.000 0.477 63 S N 0.964 116.658 115.700 -0.011 0.000 2.575 63 S HA 0.123 4.610 4.470 0.027 0.000 0.215 63 S C 0.709 175.301 174.600 -0.014 0.000 0.966 63 S CA -0.176 58.012 58.200 -0.020 0.000 0.911 63 S CB -0.411 62.762 63.200 -0.044 0.000 0.780 63 S HN 0.896 9.206 8.310 0.000 0.000 0.514 64 R N 1.044 121.540 120.500 -0.007 0.000 2.643 64 R HA 0.362 4.719 4.340 0.027 0.000 0.270 64 R C -0.543 175.737 176.300 -0.032 0.000 1.061 64 R CA -0.310 55.781 56.100 -0.015 0.000 1.107 64 R CB -0.887 29.409 30.300 -0.007 0.000 0.999 64 R HN 0.385 8.655 8.270 0.000 0.000 0.460 65 D N 0.765 121.137 120.400 -0.048 0.000 2.352 65 D HA 0.226 4.883 4.640 0.027 0.000 0.245 65 D C 1.039 177.281 176.300 -0.097 0.000 1.224 65 D CA 0.121 54.072 54.000 -0.082 0.000 0.879 65 D CB 0.581 41.319 40.800 -0.104 0.000 1.057 65 D HN 0.769 9.139 8.370 0.000 0.000 0.491 66 G N 3.589 112.336 108.800 -0.088 0.000 3.189 66 G HA2 -0.118 3.859 3.960 0.027 0.000 0.225 66 G HA3 -0.118 3.859 3.960 0.027 0.000 0.225 66 G C 1.050 175.902 174.900 -0.080 0.000 1.159 66 G CA -0.278 44.781 45.100 -0.069 0.000 0.763 66 G HN 0.497 8.787 8.290 0.000 0.000 0.549 67 N N -0.003 118.617 118.700 -0.134 0.000 2.684 67 N HA 0.147 4.903 4.740 0.027 0.000 0.220 67 N C 1.725 177.015 175.510 -0.367 0.000 1.037 67 N CA 1.556 54.527 53.050 -0.131 0.000 0.975 67 N CB 0.585 39.016 38.487 -0.093 0.000 1.426 67 N HN 0.296 8.676 8.380 0.000 0.000 0.450 68 G N -0.011 108.428 108.800 -0.601 0.000 2.278 68 G HA2 -0.270 3.707 3.960 0.027 0.000 0.210 68 G HA3 -0.270 3.707 3.960 0.027 0.000 0.210 68 G C 0.882 175.118 174.900 -1.107 0.000 1.000 68 G CA 0.663 44.913 45.100 -1.416 0.000 0.635 68 G HN 0.591 8.881 8.290 0.000 0.000 0.495 69 H N 0.731 119.456 119.070 -0.576 0.000 2.290 69 H HA 0.054 4.627 4.556 0.028 0.000 0.298 69 H C 2.732 178.013 175.328 -0.080 0.000 1.087 69 H CA 3.335 59.285 56.048 -0.165 0.000 1.291 69 H CB -0.537 29.196 29.762 -0.048 0.000 1.369 69 H HN 0.448 8.728 8.280 0.000 0.000 0.492 70 G N -1.412 107.389 108.800 0.003 0.000 2.432 70 G HA2 -0.256 3.721 3.960 0.027 0.000 0.219 70 G HA3 -0.256 3.721 3.960 0.027 0.000 0.219 70 G C 1.726 176.590 174.900 -0.060 0.000 1.135 70 G CA 1.220 46.312 45.100 -0.014 0.000 0.767 70 G HN 0.464 8.754 8.290 0.000 0.000 0.550 71 T N -0.443 114.052 114.554 -0.098 0.000 2.777 71 T HA -0.079 4.288 4.350 0.027 0.000 0.266 71 T C 1.998 176.732 174.700 0.057 0.000 1.040 71 T CA 1.052 63.148 62.100 -0.007 0.000 1.141 71 T CB -0.360 68.478 68.868 -0.051 0.000 0.868 71 T HN 0.380 8.620 8.240 0.000 0.000 0.444 72 H N 0.345 119.362 119.070 -0.088 0.000 2.290 72 H HA -0.120 4.451 4.556 0.025 0.000 0.298 72 H C 2.434 177.719 175.328 -0.072 0.000 1.087 72 H CA 1.840 57.880 56.048 -0.014 0.000 1.291 72 H CB -0.442 29.384 29.762 0.106 0.000 1.369 72 H HN 0.354 8.634 8.280 0.000 0.000 0.492 73 C N 0.846 120.145 119.300 -0.001 0.000 2.413 73 C HA -0.137 4.340 4.460 0.027 0.000 0.277 73 C C 3.229 178.184 174.990 -0.058 0.000 1.228 73 C CA 1.096 60.081 59.018 -0.054 0.000 1.731 73 C CB -1.339 26.351 27.740 -0.084 0.000 2.042 73 C HN 0.700 8.930 8.230 0.000 0.000 0.468 74 A N 0.762 123.563 122.820 -0.031 0.000 1.940 74 A HA -0.013 4.324 4.320 0.027 0.000 0.219 74 A C 2.385 180.033 177.584 0.106 0.000 1.176 74 A CA 2.211 54.230 52.037 -0.029 0.000 0.631 74 A CB -1.211 17.694 19.000 -0.158 0.000 0.814 74 A HN 0.601 8.751 8.150 0.000 0.000 0.446 75 G N -1.597 107.282 108.800 0.132 0.000 2.422 75 G HA2 -0.087 3.890 3.960 0.027 0.000 0.218 75 G HA3 -0.087 3.890 3.960 0.027 0.000 0.218 75 G C 1.509 176.351 174.900 -0.096 0.000 1.140 75 G CA 1.539 46.662 45.100 0.038 0.000 0.775 75 G HN 0.442 8.732 8.290 0.000 0.000 0.545 76 T N 0.653 115.093 114.554 -0.191 0.000 2.904 76 T HA -0.030 4.337 4.350 0.027 0.000 0.267 76 T C 2.572 177.100 174.700 -0.286 0.000 1.059 76 T CA 0.891 62.798 62.100 -0.321 0.000 1.137 76 T CB -0.049 68.558 68.868 -0.434 0.000 0.879 76 T HN 0.066 8.306 8.240 0.000 0.000 0.467 77 V N 0.789 120.602 119.914 -0.169 0.000 2.237 77 V HA 0.016 4.153 4.120 0.027 0.000 0.245 77 V C 2.276 178.308 176.094 -0.104 0.000 1.046 77 V CA 2.068 64.295 62.300 -0.122 0.000 1.007 77 V CB -0.612 31.162 31.823 -0.081 0.000 0.638 77 V HN 0.611 8.801 8.190 0.000 0.000 0.445 78 G N -0.836 107.932 108.800 -0.053 0.000 4.517 78 G HA2 0.170 4.147 3.960 0.027 0.000 0.258 78 G HA3 0.170 4.147 3.960 0.027 0.000 0.258 78 G C 0.256 175.179 174.900 0.038 0.000 1.038 78 G CA 0.583 45.665 45.100 -0.029 0.000 0.810 78 G HN 0.548 8.838 8.290 0.000 0.000 0.383 79 S N 0.407 116.134 115.700 0.045 0.000 2.579 79 S HA 0.193 4.679 4.470 0.027 0.000 0.275 79 S C 1.833 176.354 174.600 -0.131 0.000 1.345 79 S CA 0.252 58.409 58.200 -0.072 0.000 1.031 79 S CB 1.296 64.352 63.200 -0.240 0.000 0.892 79 S HN 0.597 8.907 8.310 0.000 0.000 0.529 80 R N 1.097 121.507 120.500 -0.150 0.000 2.081 80 R HA -0.082 4.275 4.340 0.027 0.000 0.235 80 R C 1.511 177.667 176.300 -0.239 0.000 1.131 80 R CA 1.769 57.778 56.100 -0.152 0.000 0.960 80 R CB -1.552 28.682 30.300 -0.109 0.000 0.856 80 R HN 0.663 8.932 8.270 0.000 0.000 0.436 81 T N -0.152 114.156 114.554 -0.411 0.000 2.983 81 T HA 0.042 4.409 4.350 0.027 0.000 0.250 81 T C 0.724 174.978 174.700 -0.744 0.000 1.037 81 T CA 0.851 62.544 62.100 -0.679 0.000 1.142 81 T CB -0.041 68.151 68.868 -1.128 0.000 0.876 81 T HN 0.309 8.549 8.240 0.000 0.000 0.455 82 Y N 1.113 121.290 120.300 -0.204 0.000 2.467 82 Y HA 0.517 5.080 4.550 0.021 0.000 0.250 82 Y C 1.399 177.118 175.900 -0.301 0.000 1.155 82 Y CA -1.238 56.711 58.100 -0.251 0.000 1.249 82 Y CB 0.090 38.381 38.460 -0.283 0.000 1.146 82 Y HN 0.117 8.397 8.280 0.000 0.000 0.524 83 G N -0.292 108.391 108.800 -0.195 0.000 2.389 83 G HA2 0.398 4.375 3.960 0.027 0.000 0.317 83 G HA3 0.398 4.375 3.960 0.027 0.000 0.317 83 G C 0.627 175.362 174.900 -0.274 0.000 1.137 83 G CA -0.378 44.595 45.100 -0.212 0.000 0.870 83 G HN 0.033 8.323 8.290 0.000 0.000 0.496 84 V N 1.708 121.451 119.914 -0.284 0.000 2.323 84 V HA 0.042 4.178 4.120 0.027 0.000 0.244 84 V C 1.958 177.971 176.094 -0.135 0.000 1.041 84 V CA 2.025 64.177 62.300 -0.246 0.000 1.025 84 V CB -0.488 31.214 31.823 -0.203 0.000 0.656 84 V HN 0.821 9.011 8.190 0.000 0.000 0.451 85 A N -0.237 122.525 122.820 -0.097 0.000 2.654 85 A HA 0.397 4.734 4.320 0.027 0.000 0.345 85 A C 0.891 178.434 177.584 -0.069 0.000 1.368 85 A CA -0.445 51.574 52.037 -0.030 0.000 0.895 85 A CB 0.065 19.078 19.000 0.021 0.000 1.143 85 A HN 0.398 8.548 8.150 0.000 0.000 0.490 86 K N 0.276 120.605 120.400 -0.119 0.000 2.555 86 K HA -0.019 4.317 4.320 0.027 0.000 0.193 86 K C 0.485 177.057 176.600 -0.047 0.000 1.032 86 K CA 0.840 57.063 56.287 -0.106 0.000 1.004 86 K CB 0.168 32.572 32.500 -0.159 0.000 0.804 86 K HN 0.345 8.595 8.250 0.000 0.000 0.496 87 K N -0.281 120.102 120.400 -0.028 0.000 2.483 87 K HA 0.098 4.435 4.320 0.027 0.000 0.206 87 K C -0.111 176.465 176.600 -0.039 0.000 1.086 87 K CA 0.011 56.286 56.287 -0.020 0.000 1.052 87 K CB 1.272 33.774 32.500 0.003 0.000 0.904 87 K HN -0.106 8.144 8.250 0.000 0.000 0.557 88 T N 0.948 115.469 114.554 -0.055 0.000 2.813 88 T HA 0.133 4.500 4.350 0.027 0.000 0.297 88 T C -0.302 174.300 174.700 -0.163 0.000 1.036 88 T CA -0.252 61.794 62.100 -0.091 0.000 1.044 88 T CB 0.498 69.314 68.868 -0.086 0.000 0.993 88 T HN -0.016 8.224 8.240 0.000 0.000 0.535 89 Q N 2.486 122.137 119.800 -0.248 0.000 2.256 89 Q HA 0.423 4.780 4.340 0.027 0.000 0.254 89 Q C -0.694 174.881 176.000 -0.708 0.000 0.916 89 Q CA -0.181 55.344 55.803 -0.463 0.000 0.932 89 Q CB 1.437 29.874 28.738 -0.503 0.000 1.207 89 Q HN 0.542 8.812 8.270 0.000 0.000 0.426 90 L N 3.276 124.044 121.223 -0.760 0.000 2.313 90 L HA 0.501 4.858 4.340 0.027 0.000 0.283 90 L C -0.855 175.511 176.870 -0.839 0.000 1.013 90 L CA -0.559 53.872 54.840 -0.682 0.000 0.816 90 L CB 0.790 42.552 42.059 -0.495 0.000 1.236 90 L HN 0.399 8.629 8.230 0.000 0.000 0.419 91 F N 0.959 120.709 119.950 -0.334 0.000 2.477 91 F HA 0.583 5.128 4.527 0.029 0.000 0.335 91 F C 0.770 176.478 175.800 -0.154 0.000 1.130 91 F CA -1.027 56.775 58.000 -0.330 0.000 0.948 91 F CB 1.888 40.462 39.000 -0.711 0.000 1.154 91 F HN 0.368 8.668 8.300 0.000 0.000 0.439 92 G N 2.003 110.854 108.800 0.085 0.000 2.332 92 G HA2 0.557 4.534 3.960 0.027 0.000 0.310 92 G HA3 0.557 4.534 3.960 0.027 0.000 0.310 92 G C -1.433 173.546 174.900 0.131 0.000 1.123 92 G CA -0.579 44.563 45.100 0.069 0.000 0.873 92 G HN 0.455 8.745 8.290 0.000 0.000 0.460 93 V N 2.671 122.681 119.914 0.159 0.000 2.409 93 V HA 0.311 4.448 4.120 0.027 0.000 0.290 93 V C 0.171 176.347 176.094 0.137 0.000 1.017 93 V CA -0.987 61.398 62.300 0.140 0.000 0.841 93 V CB 1.540 33.514 31.823 0.252 0.000 1.003 93 V HN 0.792 8.982 8.190 0.000 0.000 0.426 94 K N 3.799 124.266 120.400 0.111 0.000 2.183 94 K HA 0.287 4.623 4.320 0.027 0.000 0.272 94 K C 0.805 177.630 176.600 0.374 0.000 1.113 94 K CA -0.188 56.205 56.287 0.176 0.000 0.949 94 K CB 0.825 33.402 32.500 0.128 0.000 1.365 94 K HN 0.690 8.940 8.250 0.000 0.000 0.420 95 V N 2.052 122.156 119.914 0.316 0.000 3.590 95 V HA 0.243 4.380 4.120 0.027 0.000 0.265 95 V C 0.290 176.602 176.094 0.362 0.000 1.239 95 V CA -0.062 62.420 62.300 0.303 0.000 1.117 95 V CB -0.371 31.507 31.823 0.091 0.000 0.818 95 V HN 0.413 8.603 8.190 0.000 0.000 0.451 96 L N 2.400 123.749 121.223 0.209 0.000 2.329 96 L HA 0.568 4.925 4.340 0.027 0.000 0.279 96 L C -0.170 176.513 176.870 -0.311 0.000 1.014 96 L CA -0.845 54.001 54.840 0.010 0.000 0.814 96 L CB 1.759 43.802 42.059 -0.026 0.000 1.257 96 L HN 0.286 8.516 8.230 0.000 0.000 0.424 97 D N 0.013 120.101 120.400 -0.519 0.000 2.414 97 D HA -0.010 4.647 4.640 0.027 0.000 0.259 97 D C 0.291 176.393 176.300 -0.329 0.000 1.269 97 D CA -0.390 53.172 54.000 -0.731 0.000 1.028 97 D CB 0.627 41.089 40.800 -0.564 0.000 1.093 97 D HN 0.352 8.722 8.370 0.000 0.000 0.545 98 D N -1.603 118.652 120.400 -0.240 0.000 2.378 98 D HA -0.040 4.617 4.640 0.027 0.000 0.227 98 D C 0.503 176.747 176.300 -0.093 0.000 1.012 98 D CA 0.498 54.416 54.000 -0.136 0.000 0.905 98 D CB -0.441 40.305 40.800 -0.089 0.000 0.895 98 D HN 0.426 8.796 8.370 0.000 0.000 0.532 99 N N -0.647 117.992 118.700 -0.101 0.000 2.280 99 N HA 0.144 4.900 4.740 0.027 0.000 0.192 99 N C 1.044 176.502 175.510 -0.086 0.000 1.109 99 N CA 0.270 53.278 53.050 -0.070 0.000 0.855 99 N CB 0.883 39.337 38.487 -0.056 0.000 0.974 99 N HN 0.052 8.432 8.380 0.000 0.000 0.482 100 G N 0.293 109.022 108.800 -0.119 0.000 2.143 100 G HA2 -0.267 3.709 3.960 0.027 0.000 0.248 100 G HA3 -0.267 3.709 3.960 0.027 0.000 0.248 100 G C -0.098 174.726 174.900 -0.127 0.000 0.991 100 G CA 0.140 45.150 45.100 -0.151 0.000 0.689 100 G HN 0.300 8.590 8.290 0.000 0.000 0.522 101 S N -0.656 114.985 115.700 -0.098 0.000 2.608 101 S HA 0.854 5.340 4.470 0.027 0.000 0.291 101 S C 0.406 174.999 174.600 -0.011 0.000 1.146 101 S CA 0.088 58.252 58.200 -0.061 0.000 1.043 101 S CB 2.041 65.214 63.200 -0.046 0.000 1.037 101 S HN 1.607 9.917 8.310 0.000 0.000 0.520 102 G N 1.155 109.962 108.800 0.011 0.000 2.766 102 G HA2 0.492 4.469 3.960 0.027 0.000 0.297 102 G HA3 0.492 4.469 3.960 0.027 0.000 0.297 102 G C -1.804 173.107 174.900 0.019 0.000 1.431 102 G CA -0.912 44.240 45.100 0.087 0.000 1.042 102 G HN 0.573 8.863 8.290 0.000 0.000 0.542 103 Q N 0.972 120.791 119.800 0.032 0.000 2.364 103 Q HA 0.165 4.522 4.340 0.027 0.000 0.267 103 Q C 0.448 176.483 176.000 0.057 0.000 0.999 103 Q CA -0.461 55.339 55.803 -0.006 0.000 0.886 103 Q CB 1.100 29.839 28.738 0.002 0.000 1.243 103 Q HN 0.566 8.836 8.270 0.000 0.000 0.415 104 Y N 0.985 121.259 120.300 -0.042 0.000 2.193 104 Y HA -0.276 4.290 4.550 0.027 0.000 0.285 104 Y C 2.498 178.345 175.900 -0.089 0.000 1.166 104 Y CA 1.489 59.553 58.100 -0.060 0.000 1.181 104 Y CB -0.583 37.845 38.460 -0.053 0.000 0.976 104 Y HN 0.775 9.055 8.280 0.000 0.000 0.520 105 S N -1.040 114.707 115.700 0.078 0.000 2.383 105 S HA -0.182 4.305 4.470 0.027 0.000 0.229 105 S C 2.104 176.625 174.600 -0.132 0.000 1.030 105 S CA 1.950 60.133 58.200 -0.028 0.000 1.002 105 S CB -0.337 62.847 63.200 -0.026 0.000 0.829 105 S HN 0.546 8.856 8.310 0.000 0.000 0.467 106 T N 2.049 116.495 114.554 -0.180 0.000 2.812 106 T HA 0.105 4.472 4.350 0.027 0.000 0.264 106 T C 1.707 176.148 174.700 -0.431 0.000 1.042 106 T CA 1.227 63.069 62.100 -0.431 0.000 1.140 106 T CB -0.281 68.362 68.868 -0.376 0.000 0.870 106 T HN 0.378 8.618 8.240 0.000 0.000 0.445 107 I N 0.614 121.086 120.570 -0.162 0.000 2.226 107 I HA -0.148 4.038 4.170 0.027 0.000 0.245 107 I C 2.199 178.251 176.117 -0.107 0.000 1.100 107 I CA 1.302 62.553 61.300 -0.081 0.000 1.374 107 I CB -0.353 37.684 38.000 0.063 0.000 1.057 107 I HN 0.218 8.428 8.210 0.000 0.000 0.413 108 I N 0.613 121.114 120.570 -0.115 0.000 2.179 108 I HA -0.303 3.883 4.170 0.027 0.000 0.242 108 I C 2.798 178.856 176.117 -0.098 0.000 1.088 108 I CA 1.401 62.636 61.300 -0.108 0.000 1.357 108 I CB -0.435 37.500 38.000 -0.108 0.000 1.051 108 I HN 0.189 8.399 8.210 0.000 0.000 0.409 109 A N 0.850 123.573 122.820 -0.162 0.000 1.883 109 A HA -0.178 4.159 4.320 0.027 0.000 0.217 109 A C 2.450 180.043 177.584 0.014 0.000 1.186 109 A CA 2.015 53.985 52.037 -0.111 0.000 0.624 109 A CB -1.576 17.274 19.000 -0.249 0.000 0.822 109 A HN 0.470 8.620 8.150 0.000 0.000 0.444 110 G N -0.736 107.994 108.800 -0.116 0.000 2.469 110 G HA2 -0.280 3.696 3.960 0.027 0.000 0.220 110 G HA3 -0.280 3.696 3.960 0.027 0.000 0.220 110 G C 1.640 176.638 174.900 0.162 0.000 1.136 110 G CA 1.326 46.516 45.100 0.150 0.000 0.759 110 G HN 0.482 8.772 8.290 0.000 0.000 0.562 111 M N 0.256 119.885 119.600 0.048 0.000 2.132 111 M HA -0.017 4.479 4.480 0.027 0.000 0.263 111 M C 2.012 178.309 176.300 -0.005 0.000 1.065 111 M CA 1.222 56.527 55.300 0.009 0.000 1.122 111 M CB -0.278 32.305 32.600 -0.028 0.000 1.365 111 M HN 0.072 8.362 8.290 0.000 0.000 0.411 112 D N 0.051 120.461 120.400 0.016 0.000 2.178 112 D HA -0.117 4.539 4.640 0.027 0.000 0.202 112 D C 1.656 177.968 176.300 0.019 0.000 0.974 112 D CA 0.961 54.962 54.000 0.002 0.000 0.841 112 D CB -0.275 40.530 40.800 0.009 0.000 0.953 112 D HN 0.262 8.632 8.370 0.000 0.000 0.478 113 F N 1.740 121.676 119.950 -0.025 0.000 2.043 113 F HA -0.289 4.255 4.527 0.027 0.000 0.297 113 F C 2.228 177.955 175.800 -0.122 0.000 1.121 113 F CA 1.394 59.379 58.000 -0.026 0.000 1.199 113 F CB -0.344 38.692 39.000 0.061 0.000 0.968 113 F HN -0.219 8.081 8.300 0.000 0.000 0.478 114 V N 0.857 120.634 119.914 -0.228 0.000 2.332 114 V HA -0.353 3.784 4.120 0.027 0.000 0.248 114 V C 2.757 178.509 176.094 -0.571 0.000 1.055 114 V CA 1.839 63.750 62.300 -0.648 0.000 1.038 114 V CB -1.737 29.688 31.823 -0.663 0.000 0.651 114 V HN 0.560 8.750 8.190 0.000 0.000 0.450 115 A N -0.919 121.703 122.820 -0.330 0.000 1.940 115 A HA -0.240 4.096 4.320 0.027 0.000 0.219 115 A C 2.539 179.984 177.584 -0.231 0.000 1.176 115 A CA 2.378 54.276 52.037 -0.231 0.000 0.631 115 A CB -0.598 18.317 19.000 -0.143 0.000 0.814 115 A HN 0.489 8.639 8.150 0.000 0.000 0.446 116 S N -0.910 114.624 115.700 -0.277 0.000 2.371 116 S HA -0.122 4.365 4.470 0.027 0.000 0.221 116 S C 1.808 176.196 174.600 -0.353 0.000 1.036 116 S CA 1.306 59.349 58.200 -0.262 0.000 0.965 116 S CB -0.374 62.688 63.200 -0.229 0.000 0.845 116 S HN 0.624 8.934 8.310 0.000 0.000 0.475 117 D N 1.422 121.455 120.400 -0.612 0.000 2.182 117 D HA -0.175 4.482 4.640 0.027 0.000 0.201 117 D C 1.995 178.118 176.300 -0.295 0.000 0.986 117 D CA 1.497 55.120 54.000 -0.627 0.000 0.847 117 D CB -0.179 39.894 40.800 -1.211 0.000 0.942 117 D HN 0.657 9.027 8.370 0.000 0.000 0.467 118 K N -0.035 120.228 120.400 -0.229 0.000 2.218 118 K HA -0.199 4.137 4.320 0.027 0.000 0.205 118 K C 1.397 177.956 176.600 -0.068 0.000 1.046 118 K CA 1.699 57.962 56.287 -0.040 0.000 0.933 118 K CB -0.506 31.979 32.500 -0.025 0.000 0.728 118 K HN 0.196 8.446 8.250 0.000 0.000 0.454 119 N N 0.533 119.165 118.700 -0.113 0.000 2.520 119 N HA -0.043 4.714 4.740 0.027 0.000 0.185 119 N C 0.582 176.039 175.510 -0.088 0.000 1.068 119 N CA 0.616 53.613 53.050 -0.089 0.000 0.911 119 N CB 0.053 38.485 38.487 -0.092 0.000 0.961 119 N HN 0.296 8.676 8.380 0.000 0.000 0.446 120 N N 0.116 118.744 118.700 -0.120 0.000 2.203 120 N HA 0.094 4.851 4.740 0.027 0.000 0.207 120 N C -0.442 174.994 175.510 -0.123 0.000 1.130 120 N CA 0.233 53.215 53.050 -0.112 0.000 0.861 120 N CB 0.571 38.982 38.487 -0.127 0.000 1.005 120 N HN 0.096 8.476 8.380 0.000 0.000 0.507 121 R N 0.495 120.921 120.500 -0.123 0.000 2.787 121 R HA 0.336 4.693 4.340 0.027 0.000 0.271 121 R C -0.492 175.808 176.300 -0.001 0.000 0.993 121 R CA -0.717 55.316 56.100 -0.110 0.000 0.993 121 R CB 0.345 30.496 30.300 -0.248 0.000 1.155 121 R HN -0.107 8.163 8.270 0.000 0.000 0.486 122 N N 0.087 118.821 118.700 0.055 0.000 2.500 122 N HA 0.216 4.973 4.740 0.027 0.000 0.236 122 N C -1.150 174.410 175.510 0.083 0.000 1.022 122 N CA -0.085 52.999 53.050 0.057 0.000 0.935 122 N CB 0.368 38.883 38.487 0.046 0.000 1.147 122 N HN 0.425 8.805 8.380 0.000 0.000 0.512 123 c N 4.774 123.415 118.600 0.068 0.000 3.471 123 c HA 0.269 4.855 4.570 0.027 0.000 0.191 123 c C -1.060 173.053 174.090 0.039 0.000 1.480 123 c CA -0.913 55.459 56.329 0.072 0.000 1.281 123 c CB 0.569 43.148 42.510 0.115 0.000 1.898 123 c HN 0.611 8.841 8.230 0.000 0.000 0.533 124 P HA -0.146 4.274 4.420 0.000 0.000 0.219 124 P C 1.219 178.519 177.300 0.001 0.000 1.146 124 P CA 1.513 64.618 63.100 0.008 0.000 0.808 124 P CB 0.271 31.972 31.700 0.002 0.000 0.779 125 K N -0.688 119.712 120.400 -0.000 0.000 2.379 125 K HA 0.314 4.650 4.320 0.027 0.000 0.194 125 K C 1.292 177.889 176.600 -0.006 0.000 1.031 125 K CA 0.560 56.839 56.287 -0.014 0.000 1.037 125 K CB 0.366 32.850 32.500 -0.026 0.000 0.824 125 K HN 0.275 8.525 8.250 0.000 0.000 0.516 126 G N -0.019 108.790 108.800 0.015 0.000 2.340 126 G HA2 0.002 3.978 3.960 0.027 0.000 0.527 126 G HA3 0.002 3.978 3.960 0.027 0.000 0.527 126 G C -1.632 173.304 174.900 0.061 0.000 1.381 126 G CA -0.976 44.140 45.100 0.027 0.000 1.001 126 G HN -0.128 8.162 8.290 0.000 0.000 0.626 127 V N -0.177 119.783 119.914 0.078 0.000 2.604 127 V HA 0.785 4.921 4.120 0.027 0.000 0.305 127 V C 0.135 176.303 176.094 0.124 0.000 1.043 127 V CA -0.780 61.604 62.300 0.139 0.000 0.888 127 V CB 1.658 33.583 31.823 0.170 0.000 0.995 127 V HN 0.964 9.154 8.190 0.000 0.000 0.429 128 V N 2.650 122.661 119.914 0.162 0.000 2.769 128 V HA 0.916 5.053 4.120 0.027 0.000 0.312 128 V C 0.050 176.260 176.094 0.194 0.000 1.061 128 V CA -0.603 61.777 62.300 0.133 0.000 0.931 128 V CB 2.042 33.921 31.823 0.093 0.000 1.010 128 V HN 1.041 9.231 8.190 0.000 0.000 0.433 129 A N 2.067 124.969 122.820 0.136 0.000 2.343 129 A HA 0.779 5.116 4.320 0.027 0.000 0.316 129 A C -0.391 177.256 177.584 0.106 0.000 1.104 129 A CA -0.475 51.652 52.037 0.149 0.000 0.768 129 A CB 1.733 20.784 19.000 0.084 0.000 1.213 129 A HN 0.700 8.850 8.150 0.000 0.000 0.456 130 S N 1.990 117.756 115.700 0.111 0.000 2.438 130 S HA 0.597 5.084 4.470 0.027 0.000 0.316 130 S C -0.849 173.805 174.600 0.090 0.000 1.084 130 S CA -0.374 57.876 58.200 0.083 0.000 1.107 130 S CB -0.226 63.010 63.200 0.061 0.000 0.981 130 S HN 0.547 8.857 8.310 0.000 0.000 0.466 131 L N 4.684 125.955 121.223 0.081 0.000 2.356 131 L HA 0.387 4.744 4.340 0.027 0.000 0.264 131 L C 0.087 177.014 176.870 0.095 0.000 1.029 131 L CA -0.247 54.645 54.840 0.086 0.000 0.897 131 L CB 1.413 43.511 42.059 0.065 0.000 1.256 131 L HN 0.503 8.733 8.230 0.000 0.000 0.444 132 S N 4.652 120.427 115.700 0.126 0.000 3.700 132 S HA 0.557 5.044 4.470 0.027 0.000 0.192 132 S C -0.331 174.374 174.600 0.176 0.000 1.430 132 S CA -0.473 57.824 58.200 0.161 0.000 0.999 132 S CB -0.464 62.851 63.200 0.191 0.000 1.411 132 S HN 0.403 8.713 8.310 0.000 0.000 0.491 133 L N -1.839 119.450 121.223 0.110 0.000 2.720 133 L HA 1.091 5.447 4.340 0.027 0.000 0.261 133 L C -0.373 176.552 176.870 0.091 0.000 1.046 133 L CA -0.796 54.092 54.840 0.080 0.000 0.886 133 L CB 0.824 42.930 42.059 0.078 0.000 1.493 133 L HN 0.234 8.464 8.230 0.000 0.000 0.407 134 G N -2.093 106.771 108.800 0.108 0.000 2.368 134 G HA2 0.732 4.709 3.960 0.027 0.000 0.293 134 G HA3 0.732 4.709 3.960 0.027 0.000 0.293 134 G C -1.210 173.820 174.900 0.217 0.000 1.467 134 G CA 0.106 45.311 45.100 0.174 0.000 0.804 134 G HN 1.359 9.649 8.290 0.000 0.000 0.535 135 G N -1.603 107.409 108.800 0.354 0.000 2.706 135 G HA2 0.789 4.765 3.960 0.027 0.000 0.307 135 G HA3 0.789 4.765 3.960 0.027 0.000 0.307 135 G C 0.251 175.393 174.900 0.403 0.000 1.307 135 G CA 0.431 45.711 45.100 0.300 0.000 0.790 135 G HN 1.569 9.859 8.290 0.000 0.000 0.503 136 G N -1.436 107.510 108.800 0.244 0.000 2.614 136 G HA2 0.388 4.364 3.960 0.027 0.000 0.239 136 G HA3 0.388 4.364 3.960 0.027 0.000 0.239 136 G C -0.130 174.872 174.900 0.171 0.000 1.240 136 G CA -0.099 45.062 45.100 0.103 0.000 0.842 136 G HN 0.805 9.095 8.290 0.000 0.000 0.584 137 Y N 0.794 121.062 120.300 -0.053 0.000 2.895 137 Y HA 0.232 4.798 4.550 0.027 0.000 0.334 137 Y C 0.704 176.610 175.900 0.011 0.000 1.261 137 Y CA 1.161 59.243 58.100 -0.031 0.000 1.560 137 Y CB 0.472 38.889 38.460 -0.071 0.000 1.253 137 Y HN 0.486 8.766 8.280 0.000 0.000 0.582 138 S N 3.830 119.082 115.700 -0.748 0.000 2.677 138 S HA 0.289 4.775 4.470 0.027 0.000 0.283 138 S C 0.512 174.614 174.600 -0.830 0.000 1.159 138 S CA -0.230 57.620 58.200 -0.583 0.000 1.001 138 S CB 0.766 63.675 63.200 -0.485 0.000 1.032 138 S HN 0.900 9.210 8.310 0.000 0.000 0.487 139 S N 3.885 119.262 115.700 -0.538 0.000 2.399 139 S HA -0.083 4.403 4.470 0.027 0.000 0.231 139 S C 1.737 176.194 174.600 -0.240 0.000 1.022 139 S CA 1.568 59.585 58.200 -0.305 0.000 0.983 139 S CB -0.607 62.594 63.200 0.003 0.000 0.803 139 S HN 0.605 8.915 8.310 0.000 0.000 0.480 140 S N 1.419 116.985 115.700 -0.224 0.000 2.368 140 S HA 0.007 4.493 4.470 0.027 0.000 0.224 140 S C 1.985 176.438 174.600 -0.246 0.000 1.029 140 S CA 1.149 59.238 58.200 -0.185 0.000 0.988 140 S CB -0.596 62.516 63.200 -0.146 0.000 0.838 140 S HN 0.435 8.745 8.310 0.000 0.000 0.462 141 V N 2.941 122.620 119.914 -0.391 0.000 2.332 141 V HA -0.203 3.933 4.120 0.027 0.000 0.248 141 V C 2.117 178.032 176.094 -0.297 0.000 1.055 141 V CA 1.749 63.790 62.300 -0.433 0.000 1.038 141 V CB -0.889 30.466 31.823 -0.778 0.000 0.651 141 V HN 0.389 8.579 8.190 0.000 0.000 0.450 142 N N -0.100 118.414 118.700 -0.310 0.000 2.120 142 N HA -0.140 4.617 4.740 0.027 0.000 0.188 142 N C 2.129 177.561 175.510 -0.131 0.000 1.024 142 N CA 1.695 54.623 53.050 -0.203 0.000 0.852 142 N CB -0.526 37.839 38.487 -0.203 0.000 1.003 142 N HN 0.446 8.826 8.380 0.000 0.000 0.424 143 S N 0.030 115.651 115.700 -0.132 0.000 2.382 143 S HA -0.015 4.471 4.470 0.027 0.000 0.228 143 S C 1.923 176.474 174.600 -0.082 0.000 1.027 143 S CA 1.231 59.379 58.200 -0.087 0.000 0.991 143 S CB -0.267 62.886 63.200 -0.079 0.000 0.823 143 S HN 0.376 8.686 8.310 0.000 0.000 0.469 144 A N 1.244 124.002 122.820 -0.103 0.000 1.930 144 A HA 0.261 4.597 4.320 0.027 0.000 0.217 144 A C 2.466 180.006 177.584 -0.073 0.000 1.175 144 A CA 1.722 53.708 52.037 -0.086 0.000 0.627 144 A CB -1.332 17.607 19.000 -0.101 0.000 0.815 144 A HN 0.766 8.916 8.150 0.000 0.000 0.443 145 A N -0.109 122.663 122.820 -0.079 0.000 1.933 145 A HA 0.165 4.502 4.320 0.027 0.000 0.218 145 A C 2.472 180.030 177.584 -0.043 0.000 1.175 145 A CA 2.018 54.021 52.037 -0.056 0.000 0.628 145 A CB -0.913 18.054 19.000 -0.056 0.000 0.814 145 A HN 1.011 9.161 8.150 0.000 0.000 0.444 146 A N -0.188 122.605 122.820 -0.045 0.000 1.930 146 A HA -0.126 4.211 4.320 0.027 0.000 0.217 146 A C 2.233 179.798 177.584 -0.032 0.000 1.175 146 A CA 1.350 53.368 52.037 -0.031 0.000 0.627 146 A CB -0.438 18.546 19.000 -0.027 0.000 0.815 146 A HN 0.551 8.701 8.150 0.000 0.000 0.443 147 R N -1.096 119.380 120.500 -0.040 0.000 2.073 147 R HA -0.133 4.223 4.340 0.027 0.000 0.234 147 R C 2.098 178.371 176.300 -0.046 0.000 1.134 147 R CA 1.445 57.520 56.100 -0.041 0.000 0.952 147 R CB -0.702 29.570 30.300 -0.046 0.000 0.850 147 R HN 0.467 8.737 8.270 0.000 0.000 0.433 148 L N 1.533 122.725 121.223 -0.051 0.000 2.012 148 L HA -0.247 4.109 4.340 0.027 0.000 0.210 148 L C 2.435 179.277 176.870 -0.047 0.000 1.073 148 L CA 1.936 56.740 54.840 -0.061 0.000 0.748 148 L CB -0.680 41.343 42.059 -0.060 0.000 0.891 148 L HN 0.102 8.332 8.230 0.000 0.000 0.431 149 Q N -0.437 119.345 119.800 -0.031 0.000 2.050 149 Q HA -0.173 4.183 4.340 0.027 0.000 0.202 149 Q C 2.340 178.330 176.000 -0.017 0.000 0.980 149 Q CA 2.453 58.246 55.803 -0.017 0.000 0.840 149 Q CB -0.482 28.252 28.738 -0.008 0.000 0.898 149 Q HN 0.722 8.992 8.270 0.000 0.000 0.424 150 S N -0.375 115.312 115.700 -0.021 0.000 2.400 150 S HA -0.193 4.294 4.470 0.027 0.000 0.232 150 S C 1.993 176.578 174.600 -0.024 0.000 1.025 150 S CA 1.292 59.481 58.200 -0.019 0.000 0.993 150 S CB -0.959 62.230 63.200 -0.019 0.000 0.808 150 S HN 0.527 8.837 8.310 0.000 0.000 0.478 151 S N 1.081 116.760 115.700 -0.035 0.000 2.547 151 S HA 0.303 4.789 4.470 0.027 0.000 0.235 151 S C 1.493 176.071 174.600 -0.037 0.000 0.980 151 S CA 0.708 58.882 58.200 -0.043 0.000 0.941 151 S CB -0.817 62.344 63.200 -0.064 0.000 0.763 151 S HN 1.665 9.975 8.310 0.000 0.000 0.532 152 G N -0.515 108.270 108.800 -0.026 0.000 2.141 152 G HA2 -0.124 3.852 3.960 0.027 0.000 0.164 152 G HA3 -0.124 3.852 3.960 0.027 0.000 0.164 152 G C -0.277 174.619 174.900 -0.007 0.000 1.009 152 G CA -0.226 44.865 45.100 -0.015 0.000 0.677 152 G HN 0.708 8.998 8.290 0.000 0.000 0.508 153 V N 2.137 122.044 119.914 -0.011 0.000 2.448 153 V HA 0.611 4.747 4.120 0.027 0.000 0.295 153 V C 0.803 176.907 176.094 0.017 0.000 1.025 153 V CA -0.941 61.362 62.300 0.004 0.000 0.859 153 V CB 1.786 33.591 31.823 -0.029 0.000 0.988 153 V HN 0.424 8.614 8.190 0.000 0.000 0.431 154 M N 5.975 125.597 119.600 0.037 0.000 2.435 154 M HA 0.222 4.718 4.480 0.027 0.000 0.338 154 M C -0.882 175.445 176.300 0.044 0.000 1.628 154 M CA 0.367 55.692 55.300 0.041 0.000 1.215 154 M CB 0.542 33.172 32.600 0.050 0.000 1.905 154 M HN 0.448 8.738 8.290 0.000 0.000 0.457 155 V N 5.887 125.821 119.914 0.033 0.000 2.383 155 V HA 0.567 4.703 4.120 0.027 0.000 0.275 155 V C 0.318 176.435 176.094 0.038 0.000 1.036 155 V CA -0.749 61.570 62.300 0.032 0.000 0.889 155 V CB 0.809 32.640 31.823 0.014 0.000 0.985 155 V HN 0.897 9.087 8.190 0.000 0.000 0.459 156 A N 5.436 128.284 122.820 0.047 0.000 2.331 156 A HA 0.893 5.229 4.320 0.027 0.000 0.320 156 A C -0.500 177.112 177.584 0.046 0.000 1.138 156 A CA -0.536 51.529 52.037 0.047 0.000 0.790 156 A CB 1.628 20.662 19.000 0.056 0.000 1.206 156 A HN 1.321 9.471 8.150 0.000 0.000 0.470 157 V N -0.266 119.671 119.914 0.038 0.000 2.962 157 V HA 0.924 5.061 4.120 0.027 0.000 0.313 157 V C 0.203 176.319 176.094 0.037 0.000 1.099 157 V CA -0.542 61.782 62.300 0.040 0.000 0.971 157 V CB 1.293 33.135 31.823 0.031 0.000 1.028 157 V HN 1.721 9.911 8.190 0.000 0.000 0.430 158 A N 2.736 125.586 122.820 0.050 0.000 2.450 158 A HA 0.727 5.063 4.320 0.027 0.000 0.255 158 A C 1.480 179.077 177.584 0.020 0.000 1.096 158 A CA 0.177 52.241 52.037 0.046 0.000 0.778 158 A CB 0.756 19.798 19.000 0.071 0.000 1.031 158 A HN 2.150 10.300 8.150 0.000 0.000 0.494 159 A N 2.359 125.175 122.820 -0.007 0.000 1.972 159 A HA 0.417 4.754 4.320 0.027 0.000 0.219 159 A C 1.529 179.072 177.584 -0.068 0.000 1.169 159 A CA 1.798 53.814 52.037 -0.034 0.000 0.635 159 A CB -0.887 18.069 19.000 -0.075 0.000 0.810 159 A HN 2.845 10.995 8.150 0.000 0.000 0.446 160 G N -1.907 106.860 108.800 -0.055 0.000 2.497 160 G HA2 0.013 3.989 3.960 0.027 0.000 0.686 160 G HA3 0.013 3.989 3.960 0.027 0.000 0.686 160 G C -0.699 174.159 174.900 -0.071 0.000 1.288 160 G CA -0.185 44.828 45.100 -0.147 0.000 0.899 160 G HN 0.280 8.570 8.290 0.000 0.000 0.608 161 N N 0.890 119.545 118.700 -0.076 0.000 2.467 161 N HA 0.163 4.920 4.740 0.027 0.000 0.278 161 N C 0.574 176.125 175.510 0.069 0.000 1.306 161 N CA -0.369 52.741 53.050 0.099 0.000 0.905 161 N CB 0.363 38.844 38.487 -0.011 0.000 1.236 161 N HN 0.519 8.899 8.380 0.000 0.000 0.509 162 N N 0.844 119.520 118.700 -0.041 0.000 2.203 162 N HA 0.006 4.762 4.740 0.027 0.000 0.207 162 N C -0.047 175.505 175.510 0.070 0.000 1.130 162 N CA -0.064 52.977 53.050 -0.015 0.000 0.861 162 N CB 0.422 38.837 38.487 -0.119 0.000 1.005 162 N HN 0.350 8.730 8.380 0.000 0.000 0.507 163 N N 0.866 119.635 118.700 0.114 0.000 2.699 163 N HA -0.238 4.518 4.740 0.027 0.000 0.256 163 N C -0.865 174.772 175.510 0.212 0.000 0.993 163 N CA 0.201 53.373 53.050 0.203 0.000 0.759 163 N CB -0.488 38.121 38.487 0.204 0.000 0.906 163 N HN 0.324 8.704 8.380 0.000 0.000 0.541 164 A N 0.319 123.080 122.820 -0.098 0.000 2.564 164 A HA 0.413 4.749 4.320 0.027 0.000 0.288 164 A C -0.965 176.132 177.584 -0.813 0.000 1.164 164 A CA -0.666 51.228 52.037 -0.239 0.000 0.712 164 A CB 1.294 20.340 19.000 0.076 0.000 1.303 164 A HN 0.335 8.485 8.150 0.000 0.000 0.418 165 D N 0.849 120.935 120.400 -0.523 0.000 2.383 165 D HA 0.367 5.023 4.640 0.027 0.000 0.252 165 D C 1.150 177.424 176.300 -0.044 0.000 1.166 165 D CA 0.683 54.458 54.000 -0.376 0.000 0.879 165 D CB 1.544 42.311 40.800 -0.055 0.000 1.164 165 D HN 0.553 8.923 8.370 0.000 0.000 0.462 166 A N 4.753 127.552 122.820 -0.034 0.000 2.209 166 A HA -0.145 4.192 4.320 0.027 0.000 0.212 166 A C 1.966 179.666 177.584 0.194 0.000 1.158 166 A CA 0.712 52.842 52.037 0.156 0.000 0.742 166 A CB -0.262 18.762 19.000 0.039 0.000 0.790 166 A HN 0.758 8.908 8.150 0.000 0.000 0.472 167 R N -0.038 120.523 120.500 0.103 0.000 2.211 167 R HA -0.117 4.239 4.340 0.027 0.000 0.240 167 R C 0.773 177.115 176.300 0.069 0.000 1.144 167 R CA 1.976 58.123 56.100 0.078 0.000 0.992 167 R CB -0.776 29.538 30.300 0.024 0.000 0.869 167 R HN 0.536 8.806 8.270 0.000 0.000 0.462 168 N N -0.948 117.758 118.700 0.011 0.000 2.313 168 N HA 0.106 4.862 4.740 0.027 0.000 0.207 168 N C -1.140 174.104 175.510 -0.443 0.000 1.141 168 N CA -0.143 52.780 53.050 -0.211 0.000 0.830 168 N CB 0.326 38.601 38.487 -0.353 0.000 1.008 168 N HN 0.152 8.532 8.380 0.000 0.000 0.481 169 Y N -0.948 119.436 120.300 0.141 0.000 2.576 169 Y HA 0.526 5.093 4.550 0.029 0.000 0.346 169 Y C -0.164 175.787 175.900 0.086 0.000 1.018 169 Y CA -1.002 57.167 58.100 0.115 0.000 1.050 169 Y CB 1.977 40.478 38.460 0.068 0.000 1.280 169 Y HN -0.278 8.002 8.280 0.000 0.000 0.474 170 S N 2.338 118.153 115.700 0.192 0.000 2.541 170 S HA 0.332 4.819 4.470 0.027 0.000 0.280 170 S C -2.465 172.158 174.600 0.038 0.000 1.112 170 S CA -1.260 56.939 58.200 -0.003 0.000 0.925 170 S CB 2.118 65.163 63.200 -0.259 0.000 1.067 170 S HN 0.470 8.780 8.310 0.000 0.000 0.479 171 P HA 0.156 4.576 4.420 0.000 0.000 0.255 171 P C 0.903 178.210 177.300 0.010 0.000 1.301 171 P CA 0.074 63.145 63.100 -0.049 0.000 0.817 171 P CB -0.136 31.533 31.700 -0.052 0.000 1.259 172 A N 1.623 124.480 122.820 0.062 0.000 1.948 172 A HA -0.185 4.151 4.320 0.027 0.000 0.220 172 A C 2.257 179.885 177.584 0.073 0.000 1.177 172 A CA 2.305 54.384 52.037 0.070 0.000 0.636 172 A CB -1.367 17.692 19.000 0.098 0.000 0.815 172 A HN 0.419 8.569 8.150 0.000 0.000 0.449 173 S N -0.594 115.167 115.700 0.102 0.000 2.603 173 S HA 0.101 4.588 4.470 0.027 0.000 0.220 173 S C 0.545 175.202 174.600 0.096 0.000 0.967 173 S CA 0.422 58.697 58.200 0.125 0.000 0.920 173 S CB -0.163 63.174 63.200 0.228 0.000 0.773 173 S HN 0.485 8.795 8.310 0.000 0.000 0.529 174 E N 3.179 123.407 120.200 0.047 0.000 2.265 174 E HA 0.250 4.616 4.350 0.027 0.000 0.272 174 E C -1.883 174.735 176.600 0.029 0.000 1.067 174 E CA -2.452 53.964 56.400 0.027 0.000 0.900 174 E CB 0.838 30.530 29.700 -0.013 0.000 1.017 174 E HN 0.076 8.436 8.360 0.000 0.000 0.431 175 P HA -0.151 4.269 4.420 0.000 0.000 0.216 175 P C 0.811 178.124 177.300 0.022 0.000 1.150 175 P CA 1.500 64.618 63.100 0.029 0.000 0.837 175 P CB 0.157 31.875 31.700 0.030 0.000 0.786 176 S N -1.704 114.006 115.700 0.016 0.000 2.562 176 S HA 0.081 4.568 4.470 0.027 0.000 0.221 176 S C 0.851 175.459 174.600 0.013 0.000 0.975 176 S CA 0.029 58.237 58.200 0.013 0.000 0.918 176 S CB -1.291 61.913 63.200 0.007 0.000 0.772 176 S HN 0.073 8.383 8.310 0.000 0.000 0.531 177 V N -2.007 117.914 119.914 0.013 0.000 3.193 177 V HA 0.619 4.756 4.120 0.027 0.000 0.320 177 V C 0.099 176.205 176.094 0.020 0.000 1.112 177 V CA -1.456 60.853 62.300 0.015 0.000 1.026 177 V CB 0.975 32.804 31.823 0.009 0.000 1.128 177 V HN 0.238 8.428 8.190 0.000 0.000 0.452 178 c N 2.288 120.903 118.600 0.024 0.000 2.256 178 c HA 0.619 5.206 4.570 0.027 0.000 0.333 178 c C 0.739 174.836 174.090 0.012 0.000 1.183 178 c CA 0.123 56.467 56.329 0.024 0.000 1.692 178 c CB -1.018 41.516 42.510 0.039 0.000 2.274 178 c HN 1.008 9.238 8.230 0.000 0.000 0.509 179 T N 5.209 119.760 114.554 -0.005 0.000 2.771 179 T HA 0.424 4.790 4.350 0.027 0.000 0.291 179 T C -0.237 174.416 174.700 -0.078 0.000 0.954 179 T CA -0.225 61.860 62.100 -0.025 0.000 1.045 179 T CB 0.932 69.788 68.868 -0.020 0.000 0.917 179 T HN 0.475 8.715 8.240 0.000 0.000 0.484 180 V N 3.271 123.137 119.914 -0.080 0.000 2.409 180 V HA 0.673 4.809 4.120 0.027 0.000 0.291 180 V C 0.809 176.794 176.094 -0.182 0.000 1.020 180 V CA -0.837 61.393 62.300 -0.118 0.000 0.848 180 V CB 1.515 33.330 31.823 -0.014 0.000 0.990 180 V HN 1.008 9.198 8.190 0.000 0.000 0.430 181 G N 2.907 111.426 108.800 -0.468 0.000 2.522 181 G HA2 0.715 4.692 3.960 0.027 0.000 0.304 181 G HA3 0.715 4.692 3.960 0.027 0.000 0.304 181 G C -0.440 174.474 174.900 0.023 0.000 1.210 181 G CA -0.238 44.596 45.100 -0.444 0.000 0.960 181 G HN 1.074 9.364 8.290 0.000 0.000 0.497 182 A N -0.125 122.874 122.820 0.298 0.000 2.330 182 A HA 0.778 5.114 4.320 0.027 0.000 0.327 182 A C 0.255 178.023 177.584 0.306 0.000 1.155 182 A CA -0.136 52.086 52.037 0.309 0.000 0.803 182 A CB 1.244 20.428 19.000 0.308 0.000 1.208 182 A HN 1.590 9.740 8.150 0.000 0.000 0.477 183 S N 1.144 116.997 115.700 0.255 0.000 2.638 183 S HA 0.778 5.264 4.470 0.027 0.000 0.302 183 S C -0.743 174.004 174.600 0.245 0.000 1.096 183 S CA -0.514 57.779 58.200 0.156 0.000 0.953 183 S CB 1.617 64.892 63.200 0.125 0.000 1.107 183 S HN 0.836 9.146 8.310 0.000 0.000 0.503 184 D N -0.684 119.775 120.400 0.098 0.000 2.487 184 D HA 0.310 4.966 4.640 0.027 0.000 0.262 184 D C 1.093 177.085 176.300 -0.515 0.000 1.130 184 D CA -1.073 52.900 54.000 -0.044 0.000 1.038 184 D CB 0.563 41.326 40.800 -0.062 0.000 1.142 184 D HN 0.692 9.062 8.370 0.000 0.000 0.575 185 R N -1.116 118.601 120.500 -1.306 0.000 2.280 185 R HA -0.038 4.318 4.340 0.027 0.000 0.207 185 R C 0.327 175.998 176.300 -1.048 0.000 1.043 185 R CA 0.873 55.909 56.100 -1.773 0.000 1.006 185 R CB -0.600 28.410 30.300 -2.150 0.000 0.885 185 R HN 0.387 8.657 8.270 0.000 0.000 0.467 186 Y N 1.180 121.260 120.300 -0.366 0.000 2.571 186 Y HA 0.222 4.779 4.550 0.013 0.000 0.275 186 Y C -0.234 175.578 175.900 -0.146 0.000 1.179 186 Y CA -0.673 57.303 58.100 -0.207 0.000 1.242 186 Y CB 0.310 38.666 38.460 -0.174 0.000 1.126 186 Y HN 0.078 8.358 8.280 0.000 0.000 0.524 187 D N 0.250 120.608 120.400 -0.071 0.000 2.945 187 D HA -0.210 4.447 4.640 0.027 0.000 0.225 187 D C -0.142 176.121 176.300 -0.061 0.000 1.158 187 D CA 0.571 54.545 54.000 -0.043 0.000 0.805 187 D CB -0.931 39.849 40.800 -0.033 0.000 1.098 187 D HN 0.409 8.779 8.370 0.000 0.000 0.426 188 R N 0.337 120.806 120.500 -0.052 0.000 2.457 188 R HA 0.405 4.761 4.340 0.027 0.000 0.284 188 R C 0.850 177.079 176.300 -0.118 0.000 1.024 188 R CA -0.790 55.262 56.100 -0.080 0.000 1.025 188 R CB 1.342 31.610 30.300 -0.052 0.000 1.063 188 R HN 0.047 8.317 8.270 0.000 0.000 0.493 189 R N 1.447 121.842 120.500 -0.174 0.000 2.538 189 R HA -0.022 4.335 4.340 0.027 0.000 0.282 189 R C -0.561 175.652 176.300 -0.145 0.000 1.009 189 R CA 0.301 56.295 56.100 -0.177 0.000 1.063 189 R CB 0.466 30.669 30.300 -0.162 0.000 0.945 189 R HN 0.567 8.837 8.270 0.000 0.000 0.414 190 S N 2.319 117.903 115.700 -0.194 0.000 2.552 190 S HA -0.082 4.405 4.470 0.027 0.000 0.289 190 S C 1.515 175.818 174.600 -0.495 0.000 1.304 190 S CA 0.108 58.037 58.200 -0.453 0.000 1.063 190 S CB 1.262 63.895 63.200 -0.946 0.000 0.848 190 S HN 0.832 9.142 8.310 0.000 0.000 0.499 191 S N 2.598 118.077 115.700 -0.368 0.000 2.400 191 S HA -0.192 4.295 4.470 0.027 0.000 0.232 191 S C 1.388 175.937 174.600 -0.085 0.000 1.025 191 S CA 1.471 59.584 58.200 -0.144 0.000 0.993 191 S CB -0.698 62.497 63.200 -0.008 0.000 0.808 191 S HN 0.830 9.140 8.310 0.000 0.000 0.478 192 F N 1.452 121.458 119.950 0.093 0.000 2.754 192 F HA 0.498 5.040 4.527 0.025 0.000 0.297 192 F C 0.991 176.847 175.800 0.094 0.000 1.122 192 F CA -0.590 57.458 58.000 0.081 0.000 1.400 192 F CB -0.979 38.056 39.000 0.059 0.000 1.117 192 F HN 0.104 8.404 8.300 0.000 0.000 0.587 193 S N 1.768 117.365 115.700 -0.172 0.000 2.537 193 S HA 0.058 4.545 4.470 0.027 0.000 0.286 193 S C 0.259 174.968 174.600 0.182 0.000 1.299 193 S CA -0.401 57.858 58.200 0.098 0.000 1.067 193 S CB -0.476 62.773 63.200 0.082 0.000 0.864 193 S HN 0.506 8.816 8.310 0.000 0.000 0.494 194 N N 2.318 121.073 118.700 0.092 0.000 2.340 194 N HA 0.350 5.106 4.740 0.027 0.000 0.236 194 N C -0.552 174.995 175.510 0.063 0.000 1.296 194 N CA 0.235 53.248 53.050 -0.062 0.000 0.896 194 N CB 0.327 38.707 38.487 -0.178 0.000 1.127 194 N HN 0.735 9.115 8.380 0.000 0.000 0.442 195 Y N -2.513 117.846 120.300 0.099 0.000 2.974 195 Y HA 0.810 5.376 4.550 0.027 0.000 0.310 195 Y C 0.075 176.033 175.900 0.097 0.000 1.551 195 Y CA -0.909 57.265 58.100 0.124 0.000 1.084 195 Y CB 0.651 39.211 38.460 0.168 0.000 1.446 195 Y HN 0.708 8.988 8.280 0.000 0.000 0.472 196 G N -0.235 108.789 108.800 0.373 0.000 2.440 196 G HA2 0.155 4.131 3.960 0.027 0.000 0.684 196 G HA3 0.155 4.131 3.960 0.027 0.000 0.684 196 G C 0.322 175.304 174.900 0.138 0.000 1.309 196 G CA -0.124 45.115 45.100 0.232 0.000 0.931 196 G HN 1.571 9.861 8.290 0.000 0.000 0.612 197 S N -1.288 114.474 115.700 0.103 0.000 2.419 197 S HA -0.110 4.376 4.470 0.027 0.000 0.235 197 S C 2.305 176.934 174.600 0.049 0.000 1.019 197 S CA 2.347 60.586 58.200 0.065 0.000 0.982 197 S CB -0.033 63.198 63.200 0.052 0.000 0.789 197 S HN 1.865 10.175 8.310 0.000 0.000 0.490 198 V N 0.559 120.502 119.914 0.048 0.000 3.217 198 V HA 0.263 4.399 4.120 0.027 0.000 0.264 198 V C 0.614 176.717 176.094 0.014 0.000 1.135 198 V CA 0.332 62.654 62.300 0.036 0.000 1.142 198 V CB -0.664 31.188 31.823 0.048 0.000 0.754 198 V HN 0.414 8.604 8.190 0.000 0.000 0.484 199 L N 1.017 122.240 121.223 -0.000 0.000 2.453 199 L HA 0.143 4.499 4.340 0.027 0.000 0.272 199 L C 1.329 178.175 176.870 -0.040 0.000 1.182 199 L CA 0.966 55.767 54.840 -0.064 0.000 0.858 199 L CB 0.433 42.408 42.059 -0.140 0.000 1.120 199 L HN 0.245 8.475 8.230 0.000 0.000 0.474 200 D N 2.236 122.601 120.400 -0.057 0.000 2.380 200 D HA 0.211 4.867 4.640 0.027 0.000 0.212 200 D C 0.018 176.319 176.300 0.001 0.000 1.021 200 D CA 0.628 54.622 54.000 -0.011 0.000 0.884 200 D CB 1.216 42.021 40.800 0.008 0.000 1.001 200 D HN 0.262 8.632 8.370 0.000 0.000 0.506 201 I N -0.737 119.793 120.570 -0.066 0.000 2.947 201 I HA 0.288 4.475 4.170 0.027 0.000 0.301 201 I C -2.028 174.005 176.117 -0.141 0.000 1.453 201 I CA -0.743 60.565 61.300 0.012 0.000 0.984 201 I CB 1.952 39.983 38.000 0.052 0.000 1.333 201 I HN -0.353 7.857 8.210 0.000 0.000 0.475 202 F N 3.286 123.270 119.950 0.057 0.000 2.480 202 F HA 0.859 5.402 4.527 0.027 0.000 0.329 202 F C 0.770 176.595 175.800 0.041 0.000 1.091 202 F CA -0.236 57.796 58.000 0.053 0.000 0.972 202 F CB 2.112 41.140 39.000 0.047 0.000 1.150 202 F HN 0.500 8.800 8.300 0.000 0.000 0.467 203 G N 1.362 110.273 108.800 0.184 0.000 2.630 203 G HA2 0.641 4.617 3.960 0.027 0.000 0.296 203 G HA3 0.641 4.617 3.960 0.027 0.000 0.296 203 G C -3.216 171.669 174.900 -0.025 0.000 1.285 203 G CA -2.219 42.908 45.100 0.045 0.000 0.958 203 G HN 0.244 8.534 8.290 0.000 0.000 0.479 204 P HA 0.190 4.610 4.420 0.000 0.000 0.263 204 P C 0.596 177.802 177.300 -0.157 0.000 1.195 204 P CA 0.611 63.469 63.100 -0.403 0.000 0.762 204 P CB 1.215 32.190 31.700 -1.209 0.000 0.799 205 G N 1.797 110.708 108.800 0.185 0.000 3.040 205 G HA2 0.044 4.020 3.960 0.027 0.000 0.214 205 G HA3 0.044 4.020 3.960 0.027 0.000 0.214 205 G C -0.124 175.046 174.900 0.450 0.000 1.093 205 G CA 0.123 45.410 45.100 0.312 0.000 0.931 205 G HN 0.417 8.707 8.290 0.000 0.000 0.632 206 T N 1.597 116.462 114.554 0.518 0.000 2.767 206 T HA 0.483 4.849 4.350 0.027 0.000 0.284 206 T C 0.364 175.383 174.700 0.533 0.000 0.973 206 T CA 0.111 62.506 62.100 0.491 0.000 0.996 206 T CB 1.354 70.427 68.868 0.343 0.000 0.927 206 T HN 0.260 8.500 8.240 0.000 0.000 0.456 207 S N 2.339 118.261 115.700 0.370 0.000 3.766 207 S HA -0.108 4.379 4.470 0.027 0.000 0.416 207 S C -0.107 174.741 174.600 0.413 0.000 0.902 207 S CA -0.140 58.260 58.200 0.333 0.000 1.283 207 S CB -1.181 62.179 63.200 0.268 0.000 0.891 207 S HN 0.577 8.887 8.310 0.000 0.000 0.556 208 I N 2.008 122.741 120.570 0.272 0.000 2.328 208 I HA 0.352 4.539 4.170 0.027 0.000 0.287 208 I C 0.187 176.418 176.117 0.190 0.000 1.012 208 I CA -0.656 60.754 61.300 0.183 0.000 1.195 208 I CB 1.175 39.301 38.000 0.209 0.000 1.350 208 I HN 0.395 8.605 8.210 0.000 0.000 0.464 209 L N 6.684 127.953 121.223 0.076 0.000 2.319 209 L HA 0.515 4.872 4.340 0.027 0.000 0.280 209 L C 0.203 176.895 176.870 -0.297 0.000 1.099 209 L CA 1.053 55.878 54.840 -0.025 0.000 0.828 209 L CB 1.009 43.078 42.059 0.018 0.000 1.150 209 L HN 0.720 8.950 8.230 0.000 0.000 0.442 210 S N 1.659 116.996 115.700 -0.604 0.000 2.757 210 S HA 0.614 5.100 4.470 0.027 0.000 0.285 210 S C -0.737 173.370 174.600 -0.822 0.000 1.196 210 S CA -0.061 57.563 58.200 -0.961 0.000 0.856 210 S CB 0.776 63.272 63.200 -1.173 0.000 1.212 210 S HN 0.890 9.200 8.310 0.000 0.000 0.516 211 T N 0.400 114.577 114.554 -0.628 0.000 2.856 211 T HA 0.408 4.774 4.350 0.027 0.000 0.306 211 T C -0.370 174.394 174.700 0.107 0.000 1.062 211 T CA -0.258 61.613 62.100 -0.382 0.000 1.083 211 T CB 0.399 68.867 68.868 -0.668 0.000 0.984 211 T HN 0.556 8.796 8.240 0.000 0.000 0.542 212 W N 2.072 123.374 121.300 0.002 0.000 3.040 212 W HA 0.518 5.196 4.660 0.031 0.000 0.344 212 W C -0.484 176.130 176.519 0.157 0.000 1.201 212 W CA -1.626 55.776 57.345 0.095 0.000 1.119 212 W CB 1.622 31.126 29.460 0.073 0.000 1.478 212 W HN 0.904 9.084 8.180 0.000 0.000 0.586 213 I N 0.493 120.908 120.570 -0.259 0.000 3.138 213 I HA 0.550 4.736 4.170 0.027 0.000 0.288 213 I C 1.161 177.346 176.117 0.114 0.000 1.148 213 I CA 0.746 61.998 61.300 -0.080 0.000 1.315 213 I CB 0.167 38.024 38.000 -0.239 0.000 1.426 213 I HN 0.749 8.959 8.210 0.000 0.000 0.615 214 G N 1.797 110.631 108.800 0.057 0.000 2.179 214 G HA2 -0.074 3.902 3.960 0.027 0.000 0.257 214 G HA3 -0.074 3.902 3.960 0.027 0.000 0.257 214 G C 0.969 175.859 174.900 -0.017 0.000 1.010 214 G CA 0.398 45.524 45.100 0.045 0.000 0.736 214 G HN 2.197 10.487 8.290 0.000 0.000 0.513 215 G N -1.421 107.317 108.800 -0.103 0.000 2.283 215 G HA2 0.083 4.060 3.960 0.027 0.000 0.280 215 G HA3 0.083 4.060 3.960 0.027 0.000 0.280 215 G C 0.812 175.543 174.900 -0.282 0.000 1.029 215 G CA 1.671 46.476 45.100 -0.492 0.000 0.840 215 G HN 2.364 10.654 8.290 0.000 0.000 0.505 216 S N -1.508 114.245 115.700 0.088 0.000 2.786 216 S HA 0.937 5.424 4.470 0.027 0.000 0.302 216 S C 0.044 174.807 174.600 0.272 0.000 1.080 216 S CA 0.425 58.724 58.200 0.165 0.000 0.925 216 S CB 2.263 65.546 63.200 0.138 0.000 1.325 216 S HN 1.631 9.941 8.310 0.000 0.000 0.576 217 T N -1.943 112.682 114.554 0.118 0.000 2.883 217 T HA 0.859 5.226 4.350 0.027 0.000 0.301 217 T C -1.049 173.615 174.700 -0.060 0.000 1.158 217 T CA -0.893 61.194 62.100 -0.021 0.000 1.007 217 T CB 1.724 70.473 68.868 -0.199 0.000 1.186 217 T HN 0.839 9.079 8.240 0.000 0.000 0.499 218 R N -0.247 120.204 120.500 -0.081 0.000 2.712 218 R HA 0.670 5.026 4.340 0.027 0.000 0.272 218 R C -1.401 174.895 176.300 -0.007 0.000 1.032 218 R CA -0.756 55.260 56.100 -0.141 0.000 0.874 218 R CB 2.138 32.187 30.300 -0.418 0.000 1.256 218 R HN 0.736 9.006 8.270 0.000 0.000 0.468 219 S N 1.886 117.563 115.700 -0.039 0.000 2.429 219 S HA 0.690 5.177 4.470 0.027 0.000 0.302 219 S C -0.350 174.216 174.600 -0.058 0.000 1.115 219 S CA -0.617 57.605 58.200 0.038 0.000 1.095 219 S CB -0.007 63.222 63.200 0.050 0.000 0.987 219 S HN 0.437 8.747 8.310 0.000 0.000 0.474 220 I N 1.169 121.690 120.570 -0.081 0.000 3.264 220 I HA 0.788 4.975 4.170 0.027 0.000 0.315 220 I C -0.678 175.418 176.117 -0.035 0.000 1.154 220 I CA -0.893 60.313 61.300 -0.157 0.000 0.962 220 I CB 2.147 39.941 38.000 -0.343 0.000 1.265 220 I HN 0.384 8.594 8.210 0.000 0.000 0.463 221 S N 0.264 115.936 115.700 -0.046 0.000 2.542 221 S HA 0.981 5.468 4.470 0.027 0.000 0.293 221 S C -0.318 174.174 174.600 -0.180 0.000 1.089 221 S CA -0.306 57.908 58.200 0.024 0.000 0.961 221 S CB 1.732 64.994 63.200 0.103 0.000 1.062 221 S HN 1.312 9.622 8.310 0.000 0.000 0.483 222 G N 0.339 109.099 108.800 -0.067 0.000 2.340 222 G HA2 0.296 4.273 3.960 0.027 0.000 0.300 222 G HA3 0.296 4.273 3.960 0.027 0.000 0.300 222 G C 0.316 175.362 174.900 0.243 0.000 1.488 222 G CA -0.029 44.928 45.100 -0.238 0.000 0.878 222 G HN 0.694 8.984 8.290 0.000 0.000 0.618 223 T N -1.702 113.033 114.554 0.302 0.000 3.007 223 T HA -0.019 4.347 4.350 0.027 0.000 0.270 223 T C 2.313 177.109 174.700 0.159 0.000 1.107 223 T CA 2.110 64.358 62.100 0.247 0.000 1.118 223 T CB -0.120 68.858 68.868 0.182 0.000 0.889 223 T HN 0.490 8.730 8.240 0.000 0.000 0.506 224 S N 1.262 117.045 115.700 0.138 0.000 2.420 224 S HA -0.045 4.441 4.470 0.027 0.000 0.237 224 S C 1.731 176.393 174.600 0.103 0.000 1.023 224 S CA 1.446 59.729 58.200 0.138 0.000 0.991 224 S CB -0.379 62.957 63.200 0.226 0.000 0.792 224 S HN 0.393 8.703 8.310 0.000 0.000 0.488 225 M N 0.291 119.976 119.600 0.141 0.000 2.466 225 M HA 0.328 4.825 4.480 0.027 0.000 0.265 225 M C 2.133 178.592 176.300 0.266 0.000 1.122 225 M CA 0.602 56.010 55.300 0.179 0.000 1.157 225 M CB -0.697 32.030 32.600 0.212 0.000 1.352 225 M HN 0.252 8.542 8.290 0.000 0.000 0.464 226 A N -0.459 122.504 122.820 0.239 0.000 1.898 226 A HA -0.126 4.211 4.320 0.027 0.000 0.216 226 A C 2.220 179.921 177.584 0.195 0.000 1.181 226 A CA 2.202 54.368 52.037 0.215 0.000 0.620 226 A CB -1.267 17.831 19.000 0.162 0.000 0.819 226 A HN 0.435 8.585 8.150 0.000 0.000 0.442 227 T N 1.030 115.667 114.554 0.137 0.000 2.624 227 T HA -0.132 4.234 4.350 0.027 0.000 0.268 227 T C -0.211 174.538 174.700 0.081 0.000 1.041 227 T CA 2.001 64.159 62.100 0.096 0.000 1.159 227 T CB -1.313 67.605 68.868 0.082 0.000 0.863 227 T HN 0.527 8.767 8.240 0.000 0.000 0.434 228 P HA -0.091 4.329 4.420 0.000 0.000 0.223 228 P C 1.135 178.390 177.300 -0.075 0.000 1.151 228 P CA 1.184 64.269 63.100 -0.026 0.000 0.787 228 P CB -0.183 31.470 31.700 -0.079 0.000 0.788 229 H N -0.281 118.765 119.070 -0.041 0.000 2.357 229 H HA -0.031 4.540 4.556 0.026 0.000 0.301 229 H C 2.033 177.346 175.328 -0.025 0.000 1.082 229 H CA 1.257 57.264 56.048 -0.070 0.000 1.342 229 H CB -0.493 29.216 29.762 -0.087 0.000 1.389 229 H HN 0.003 8.283 8.280 0.000 0.000 0.511 230 V N 1.038 121.039 119.914 0.146 0.000 2.379 230 V HA -0.174 3.963 4.120 0.027 0.000 0.245 230 V C 2.825 178.970 176.094 0.085 0.000 1.044 230 V CA 1.280 63.645 62.300 0.109 0.000 1.036 230 V CB -0.891 30.989 31.823 0.095 0.000 0.664 230 V HN 0.421 8.611 8.190 0.000 0.000 0.453 231 A N 0.826 123.684 122.820 0.064 0.000 1.883 231 A HA -0.125 4.212 4.320 0.027 0.000 0.217 231 A C 2.440 180.050 177.584 0.044 0.000 1.186 231 A CA 2.093 54.162 52.037 0.054 0.000 0.624 231 A CB -1.347 17.679 19.000 0.043 0.000 0.822 231 A HN 0.514 8.664 8.150 0.000 0.000 0.444 232 G N -0.296 108.512 108.800 0.012 0.000 2.440 232 G HA2 -0.164 3.812 3.960 0.027 0.000 0.218 232 G HA3 -0.164 3.812 3.960 0.027 0.000 0.218 232 G C 1.493 176.428 174.900 0.058 0.000 1.154 232 G CA 1.253 46.353 45.100 0.001 0.000 0.767 232 G HN 0.517 8.807 8.290 0.000 0.000 0.552 233 L N 1.451 122.716 121.223 0.070 0.000 2.042 233 L HA 0.107 4.463 4.340 0.027 0.000 0.210 233 L C 3.044 180.029 176.870 0.193 0.000 1.076 233 L CA 2.241 57.158 54.840 0.128 0.000 0.749 233 L CB -0.813 41.318 42.059 0.121 0.000 0.893 233 L HN 0.234 8.464 8.230 0.000 0.000 0.432 234 A N -0.413 122.489 122.820 0.137 0.000 1.908 234 A HA -0.134 4.203 4.320 0.027 0.000 0.218 234 A C 2.473 180.112 177.584 0.091 0.000 1.181 234 A CA 2.021 54.125 52.037 0.112 0.000 0.627 234 A CB -1.262 17.790 19.000 0.088 0.000 0.818 234 A HN 0.607 8.757 8.150 0.000 0.000 0.445 235 A N -1.350 121.523 122.820 0.089 0.000 1.908 235 A HA -0.146 4.190 4.320 0.027 0.000 0.218 235 A C 2.165 179.796 177.584 0.078 0.000 1.181 235 A CA 1.763 53.839 52.037 0.065 0.000 0.627 235 A CB -0.902 18.127 19.000 0.049 0.000 0.818 235 A HN 0.827 8.977 8.150 0.000 0.000 0.445 236 Y N 0.415 120.712 120.300 -0.005 0.000 2.145 236 Y HA -0.154 4.414 4.550 0.030 0.000 0.286 236 Y C 1.884 177.779 175.900 -0.007 0.000 1.145 236 Y CA 1.990 60.088 58.100 -0.003 0.000 1.148 236 Y CB -0.284 38.188 38.460 0.019 0.000 0.981 236 Y HN 0.199 8.479 8.280 0.000 0.000 0.507 237 L N -0.518 120.744 121.223 0.066 0.000 2.217 237 L HA -0.192 4.164 4.340 0.027 0.000 0.211 237 L C 2.393 179.162 176.870 -0.168 0.000 1.107 237 L CA 1.166 55.954 54.840 -0.088 0.000 0.783 237 L CB -0.380 41.691 42.059 0.018 0.000 0.919 237 L HN 0.352 8.582 8.230 0.000 0.000 0.442 238 M N -0.770 118.770 119.600 -0.099 0.000 2.200 238 M HA -0.130 4.367 4.480 0.027 0.000 0.265 238 M C 2.405 178.641 176.300 -0.106 0.000 1.066 238 M CA 2.054 57.296 55.300 -0.096 0.000 1.127 238 M CB -0.469 32.105 32.600 -0.043 0.000 1.379 238 M HN 0.350 8.640 8.290 0.000 0.000 0.420 239 T N -0.873 113.611 114.554 -0.116 0.000 2.915 239 T HA -0.044 4.323 4.350 0.027 0.000 0.269 239 T C 1.658 176.264 174.700 -0.158 0.000 1.071 239 T CA 0.841 62.871 62.100 -0.118 0.000 1.132 239 T CB -0.561 68.242 68.868 -0.108 0.000 0.878 239 T HN 0.345 8.585 8.240 0.000 0.000 0.479 240 L N 0.706 121.787 121.223 -0.237 0.000 2.465 240 L HA 0.239 4.596 4.340 0.027 0.000 0.224 240 L C 2.209 178.989 176.870 -0.149 0.000 1.145 240 L CA 0.733 55.439 54.840 -0.225 0.000 0.834 240 L CB -0.677 41.191 42.059 -0.319 0.000 0.944 240 L HN 0.666 8.896 8.230 0.000 0.000 0.451 241 G N -0.494 108.220 108.800 -0.142 0.000 2.159 241 G HA2 -0.264 3.712 3.960 0.027 0.000 0.256 241 G HA3 -0.264 3.712 3.960 0.027 0.000 0.256 241 G C 1.034 175.849 174.900 -0.141 0.000 0.977 241 G CA 0.275 45.306 45.100 -0.115 0.000 0.652 241 G HN 0.186 8.476 8.290 0.000 0.000 0.531 242 K N -0.385 119.887 120.400 -0.213 0.000 2.228 242 K HA 0.144 4.481 4.320 0.027 0.000 0.202 242 K C 1.197 177.517 176.600 -0.465 0.000 1.051 242 K CA 1.435 57.533 56.287 -0.316 0.000 0.960 242 K CB 0.115 32.357 32.500 -0.429 0.000 0.743 242 K HN 0.522 8.773 8.250 0.000 0.000 0.458 243 T N -0.648 113.680 114.554 -0.376 0.000 2.665 243 T HA 0.309 4.676 4.350 0.027 0.000 0.303 243 T C -1.369 173.244 174.700 -0.146 0.000 1.334 243 T CA -0.503 61.416 62.100 -0.302 0.000 1.011 243 T CB 1.606 70.200 68.868 -0.456 0.000 1.573 243 T HN 0.242 8.482 8.240 0.000 0.000 0.492 244 T N -1.216 113.291 114.554 -0.079 0.000 2.804 244 T HA 0.756 5.123 4.350 0.027 0.000 0.290 244 T C 1.408 176.101 174.700 -0.011 0.000 1.099 244 T CA 0.012 62.089 62.100 -0.038 0.000 1.011 244 T CB 0.977 69.831 68.868 -0.023 0.000 1.291 244 T HN 0.760 9.000 8.240 0.000 0.000 0.523 245 A N 0.313 123.133 122.820 0.001 0.000 1.933 245 A HA 0.304 4.641 4.320 0.027 0.000 0.218 245 A C 2.467 180.062 177.584 0.019 0.000 1.175 245 A CA 1.833 53.879 52.037 0.015 0.000 0.628 245 A CB -1.464 17.545 19.000 0.015 0.000 0.814 245 A HN 1.313 9.463 8.150 0.000 0.000 0.444 246 A N -0.271 122.557 122.820 0.014 0.000 2.066 246 A HA 0.080 4.416 4.320 0.027 0.000 0.218 246 A C 2.102 179.704 177.584 0.031 0.000 1.157 246 A CA 1.853 53.901 52.037 0.018 0.000 0.670 246 A CB -0.381 18.627 19.000 0.012 0.000 0.804 246 A HN 0.891 9.041 8.150 0.000 0.000 0.453 247 S N -1.853 113.868 115.700 0.036 0.000 2.603 247 S HA 0.506 4.993 4.470 0.027 0.000 0.232 247 S C 1.682 176.342 174.600 0.099 0.000 1.016 247 S CA 0.527 58.764 58.200 0.062 0.000 0.976 247 S CB 0.171 63.406 63.200 0.059 0.000 0.921 247 S HN 0.640 8.950 8.310 0.000 0.000 0.516 248 A N 1.300 124.166 122.820 0.076 0.000 1.902 248 A HA -0.104 4.232 4.320 0.027 0.000 0.217 248 A C 2.375 180.053 177.584 0.157 0.000 1.181 248 A CA 1.523 53.624 52.037 0.107 0.000 0.623 248 A CB -1.485 17.552 19.000 0.063 0.000 0.818 248 A HN 0.664 8.814 8.150 0.000 0.000 0.443 249 c N -0.666 118.000 118.600 0.110 0.000 2.413 249 c HA -0.125 4.462 4.570 0.027 0.000 0.277 249 c C 2.832 176.986 174.090 0.107 0.000 1.228 249 c CA 1.519 57.908 56.329 0.100 0.000 1.731 249 c CB -1.363 41.187 42.510 0.067 0.000 2.042 249 c HN 0.671 8.901 8.230 0.000 0.000 0.468 250 R N -1.321 119.240 120.500 0.102 0.000 2.096 250 R HA -0.208 4.149 4.340 0.027 0.000 0.240 250 R C 2.238 178.608 176.300 0.117 0.000 1.139 250 R CA 2.523 58.680 56.100 0.095 0.000 0.952 250 R CB -0.831 29.521 30.300 0.088 0.000 0.854 250 R HN 0.803 9.073 8.270 0.000 0.000 0.436 251 Y N 1.053 121.380 120.300 0.045 0.000 2.128 251 Y HA -0.219 4.347 4.550 0.027 0.000 0.284 251 Y C 1.967 177.905 175.900 0.063 0.000 1.154 251 Y CA 1.699 59.828 58.100 0.049 0.000 1.149 251 Y CB -0.161 38.326 38.460 0.046 0.000 0.976 251 Y HN -0.006 8.274 8.280 0.000 0.000 0.505 252 I N 0.021 120.719 120.570 0.213 0.000 2.226 252 I HA -0.341 3.845 4.170 0.027 0.000 0.245 252 I C 2.675 178.825 176.117 0.056 0.000 1.100 252 I CA 1.194 62.580 61.300 0.143 0.000 1.374 252 I CB -0.728 37.379 38.000 0.179 0.000 1.057 252 I HN 0.363 8.573 8.210 0.000 0.000 0.413 253 A N 0.622 123.475 122.820 0.055 0.000 1.858 253 A HA -0.250 4.086 4.320 0.027 0.000 0.216 253 A C 1.947 179.535 177.584 0.007 0.000 1.190 253 A CA 2.136 54.200 52.037 0.045 0.000 0.617 253 A CB -0.712 18.317 19.000 0.048 0.000 0.827 253 A HN 0.328 8.478 8.150 0.000 0.000 0.443 254 D N -0.294 120.082 120.400 -0.041 0.000 2.149 254 D HA -0.134 4.523 4.640 0.027 0.000 0.194 254 D C 1.916 178.150 176.300 -0.111 0.000 1.001 254 D CA 2.158 56.107 54.000 -0.086 0.000 0.849 254 D CB -0.471 40.241 40.800 -0.146 0.000 0.939 254 D HN 0.630 9.000 8.370 0.000 0.000 0.449 255 T N -2.597 111.852 114.554 -0.175 0.000 3.105 255 T HA 0.558 4.924 4.350 0.027 0.000 0.253 255 T C 0.696 175.448 174.700 0.087 0.000 1.047 255 T CA -0.130 61.896 62.100 -0.122 0.000 0.944 255 T CB 0.180 68.856 68.868 -0.321 0.000 1.016 255 T HN 0.127 8.367 8.240 0.000 0.000 0.544 256 A N 1.856 124.733 122.820 0.095 0.000 2.406 256 A HA 0.387 4.723 4.320 0.027 0.000 0.243 256 A C 0.235 177.919 177.584 0.168 0.000 1.082 256 A CA -0.539 51.602 52.037 0.173 0.000 0.786 256 A CB -0.325 18.749 19.000 0.124 0.000 1.029 256 A HN 0.611 8.761 8.150 0.000 0.000 0.495 257 N N 0.605 119.380 118.700 0.124 0.000 2.483 257 N HA 0.260 5.017 4.740 0.027 0.000 0.264 257 N C -0.636 174.886 175.510 0.021 0.000 1.197 257 N CA 0.518 53.564 53.050 -0.006 0.000 0.927 257 N CB 0.458 38.883 38.487 -0.104 0.000 1.065 257 N HN 0.519 8.899 8.380 0.000 0.000 0.461 258 K N 1.078 121.482 120.400 0.006 0.000 2.292 258 K HA 0.422 4.759 4.320 0.027 0.000 0.257 258 K C 0.504 177.100 176.600 -0.007 0.000 0.940 258 K CA -0.825 55.469 56.287 0.012 0.000 0.811 258 K CB 1.992 34.504 32.500 0.018 0.000 1.120 258 K HN 0.690 8.940 8.250 0.000 0.000 0.428 259 G N 2.255 111.048 108.800 -0.011 0.000 2.148 259 G HA2 -0.232 3.745 3.960 0.027 0.000 0.254 259 G HA3 -0.232 3.745 3.960 0.027 0.000 0.254 259 G C 0.116 174.995 174.900 -0.035 0.000 0.981 259 G CA 0.326 45.413 45.100 -0.022 0.000 0.670 259 G HN 0.729 9.019 8.290 0.000 0.000 0.528 260 D N -0.337 120.037 120.400 -0.044 0.000 2.366 260 D HA 0.198 4.855 4.640 0.027 0.000 0.205 260 D C 1.533 177.793 176.300 -0.067 0.000 1.022 260 D CA 0.155 54.126 54.000 -0.049 0.000 0.868 260 D CB 0.401 41.172 40.800 -0.047 0.000 0.953 260 D HN 0.464 8.834 8.370 0.000 0.000 0.514 261 L N 1.137 122.298 121.223 -0.104 0.000 2.357 261 L HA 0.252 4.609 4.340 0.027 0.000 0.273 261 L C 0.789 177.575 176.870 -0.139 0.000 1.080 261 L CA -0.466 54.281 54.840 -0.155 0.000 0.803 261 L CB 1.450 43.331 42.059 -0.298 0.000 1.174 261 L HN -0.105 8.125 8.230 0.000 0.000 0.443 262 S N 0.710 116.333 115.700 -0.129 0.000 2.690 262 S HA 0.326 4.812 4.470 0.027 0.000 0.291 262 S C 0.333 174.858 174.600 -0.124 0.000 1.138 262 S CA -0.647 57.492 58.200 -0.102 0.000 1.013 262 S CB 1.468 64.625 63.200 -0.072 0.000 1.053 262 S HN 0.726 9.036 8.310 0.000 0.000 0.539 263 N N -0.292 118.349 118.700 -0.097 0.000 2.721 263 N HA -0.129 4.627 4.740 0.027 0.000 0.249 263 N C -0.859 174.577 175.510 -0.123 0.000 1.072 263 N CA 0.429 53.419 53.050 -0.099 0.000 0.710 263 N CB -1.445 36.987 38.487 -0.091 0.000 0.993 263 N HN 0.655 9.035 8.380 0.000 0.000 0.547 264 I N 1.177 121.670 120.570 -0.129 0.000 2.379 264 I HA 0.247 4.434 4.170 0.027 0.000 0.290 264 I C -1.415 174.664 176.117 -0.063 0.000 1.063 264 I CA -1.700 59.532 61.300 -0.113 0.000 1.351 264 I CB 0.163 38.084 38.000 -0.130 0.000 1.410 264 I HN 0.045 8.255 8.210 0.000 0.000 0.505 265 P HA 0.066 4.486 4.420 0.000 0.000 0.269 265 P C -0.217 177.110 177.300 0.046 0.000 1.209 265 P CA -0.387 62.659 63.100 -0.090 0.000 0.776 265 P CB 0.353 31.862 31.700 -0.318 0.000 0.876 266 F N 2.017 121.939 119.950 -0.046 0.000 2.604 266 F HA 0.226 4.769 4.527 0.027 0.000 0.393 266 F C 1.604 177.420 175.800 0.027 0.000 1.043 266 F CA 2.236 60.232 58.000 -0.007 0.000 1.227 266 F CB -0.411 38.584 39.000 -0.008 0.000 1.016 266 F HN 0.657 8.957 8.300 0.000 0.000 0.556 267 G N 2.805 111.362 108.800 -0.405 0.000 2.195 267 G HA2 -0.221 3.756 3.960 0.027 0.000 0.224 267 G HA3 -0.221 3.756 3.960 0.027 0.000 0.224 267 G C 0.279 175.146 174.900 -0.055 0.000 0.990 267 G CA 0.011 44.974 45.100 -0.228 0.000 0.639 267 G HN 0.821 9.111 8.290 0.000 0.000 0.514 268 T N 1.582 116.140 114.554 0.006 0.000 2.875 268 T HA 0.574 4.941 4.350 0.027 0.000 0.284 268 T C 0.808 175.569 174.700 0.102 0.000 0.995 268 T CA 0.156 62.326 62.100 0.117 0.000 1.060 268 T CB 2.092 71.096 68.868 0.228 0.000 0.967 268 T HN 1.326 9.566 8.240 0.000 0.000 0.476 269 V N 1.990 121.997 119.914 0.154 0.000 2.763 269 V HA 0.240 4.377 4.120 0.027 0.000 0.306 269 V C 0.405 176.627 176.094 0.214 0.000 1.059 269 V CA -0.479 61.910 62.300 0.148 0.000 1.138 269 V CB 0.055 31.961 31.823 0.139 0.000 0.940 269 V HN 0.954 9.144 8.190 0.000 0.000 0.489 270 N N 4.011 122.768 118.700 0.094 0.000 3.091 270 N HA 0.577 5.333 4.740 0.027 0.000 0.255 270 N C -1.133 174.414 175.510 0.062 0.000 1.204 270 N CA -0.492 52.576 53.050 0.030 0.000 0.990 270 N CB 0.139 38.609 38.487 -0.029 0.000 1.260 270 N HN 0.778 9.158 8.380 0.000 0.000 0.502 271 L N 2.282 123.602 121.223 0.162 0.000 2.436 271 L HA 0.513 4.870 4.340 0.027 0.000 0.268 271 L C -1.254 175.745 176.870 0.216 0.000 0.974 271 L CA -1.001 53.932 54.840 0.156 0.000 0.826 271 L CB 2.009 44.157 42.059 0.149 0.000 1.291 271 L HN 0.227 8.457 8.230 0.000 0.000 0.406 272 L N 3.065 124.377 121.223 0.147 0.000 2.325 272 L HA 0.777 5.133 4.340 0.027 0.000 0.281 272 L C 0.322 177.294 176.870 0.170 0.000 1.004 272 L CA -0.190 54.745 54.840 0.159 0.000 0.823 272 L CB 1.596 43.709 42.059 0.089 0.000 1.236 272 L HN 0.717 8.947 8.230 0.000 0.000 0.415 273 A N 4.337 127.260 122.820 0.173 0.000 2.565 273 A HA 0.292 4.629 4.320 0.027 0.000 0.237 273 A C -1.163 176.573 177.584 0.253 0.000 1.053 273 A CA 0.556 52.702 52.037 0.182 0.000 0.755 273 A CB -0.328 18.757 19.000 0.142 0.000 0.980 273 A HN 0.804 8.954 8.150 0.000 0.000 0.506 274 Y N 1.837 122.198 120.300 0.102 0.000 2.442 274 Y HA 0.297 4.863 4.550 0.027 0.000 0.330 274 Y C 0.490 176.484 175.900 0.156 0.000 1.100 274 Y CA -1.041 57.129 58.100 0.117 0.000 1.034 274 Y CB 1.031 39.550 38.460 0.098 0.000 1.285 274 Y HN 0.823 9.103 8.280 0.000 0.000 0.440 275 N N 3.141 121.762 118.700 -0.132 0.000 2.412 275 N HA -0.052 4.705 4.740 0.027 0.000 0.184 275 N C -0.531 174.836 175.510 -0.239 0.000 1.101 275 N CA 0.494 53.495 53.050 -0.080 0.000 0.881 275 N CB -0.090 38.395 38.487 -0.003 0.000 0.969 275 N HN 0.754 9.134 8.380 0.000 0.000 0.459 276 N N -0.091 117.977 118.700 -1.053 0.000 2.708 276 N HA -0.265 4.491 4.740 0.027 0.000 0.249 276 N C -1.205 174.227 175.510 -0.130 0.000 1.097 276 N CA 0.577 53.165 53.050 -0.770 0.000 0.710 276 N CB -1.305 36.986 38.487 -0.326 0.000 1.032 276 N HN 0.517 8.897 8.380 0.000 0.000 0.551 277 Y N 1.340 121.574 120.300 -0.109 0.000 2.402 277 Y HA 0.309 4.874 4.550 0.026 0.000 0.333 277 Y C 0.536 176.456 175.900 0.035 0.000 1.076 277 Y CA 0.164 58.290 58.100 0.044 0.000 1.299 277 Y CB 0.457 38.990 38.460 0.121 0.000 1.197 277 Y HN 0.217 8.497 8.280 0.000 0.000 0.517 278 Q N 5.674 125.147 119.800 -0.545 0.000 2.430 278 Q HA 0.747 5.104 4.340 0.027 0.000 0.245 278 Q C 0.096 175.498 176.000 -0.997 0.000 1.021 278 Q CA -0.345 55.127 55.803 -0.552 0.000 0.867 278 Q CB 0.342 29.080 28.738 0.000 0.000 1.210 278 Q HN 1.131 9.401 8.270 0.000 0.000 0.487 279 A N 0.000 122.270 122.820 -0.917 0.000 2.254 279 A HA 0.000 4.337 4.320 0.027 0.000 0.244 279 A CA 0.000 51.657 52.037 -0.633 0.000 0.836 279 A CB 0.000 18.792 19.000 -0.347 0.000 0.831 279 A HN 0.000 8.150 8.150 0.000 0.000 0.486