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 2jjj_1_A DATA FIRST_RESID 1 DATA SEQUENCE STGSATTTPI DSLDDAYITP VQIGTPAQTL NLDFDTGSSD LWVFSSETTA DATA SEQUENCE SEVXXQTIYT PSKSTTAKLL SGATWSISYG DGSSSSGDVY TDTVSVGGLT DATA SEQUENCE VTGQAVESAK KVSSSFTEDS TIDGLLGLAF STLNTVSPTQ QKTFFDNAKA DATA SEQUENCE SLDSPVFTAD LGYHAPGTYN FGFIDTTAYT GSITYTAVST KQGFWEWTST DATA SEQUENCE GYAVGSGTFK STSIDGIADT GTTLLYLPAT VVSAYWAQVS GAKSSSSVGG DATA SEQUENCE YVFPcSATLP SFTFGVGSAR IVIPGDYIDF GPISTGSSSc FGGIQSSAGI DATA SEQUENCE GINIFGDVAL KAAFVVFNGA TTPTLGFASK 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 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.688 174.600 0.146 0.000 1.055 1 S CA 0.000 58.251 58.200 0.085 0.000 1.107 1 S CB 0.000 63.243 63.200 0.072 0.000 0.593 2 T N -2.141 112.510 114.554 0.161 0.000 2.841 2 T HA 0.694 5.395 4.350 0.373 -0.127 0.296 2 T C -1.108 173.772 174.700 0.301 0.000 1.166 2 T CA -1.853 60.421 62.100 0.289 0.000 1.007 2 T CB 4.069 73.078 68.868 0.235 0.000 1.253 2 T HN -0.129 8.183 8.240 0.120 0.000 0.511 3 G N -1.678 107.402 108.800 0.466 0.000 2.612 3 G HA2 0.375 4.578 3.960 0.404 0.000 0.298 3 G HA3 0.375 4.654 3.960 0.310 -0.134 0.298 3 G C -2.828 172.402 174.900 0.551 0.000 1.336 3 G CA -0.847 44.508 45.100 0.425 0.000 0.953 3 G HN -0.158 8.491 8.290 0.599 0.000 0.482 4 S N 0.393 116.337 115.700 0.407 0.000 2.720 4 S HA 0.740 5.620 4.470 0.409 -0.164 0.278 4 S C -1.791 172.962 174.600 0.256 0.000 1.172 4 S CA -0.654 57.773 58.200 0.378 0.000 1.019 4 S CB 1.765 65.204 63.200 0.398 0.000 1.049 4 S HN 0.051 8.446 8.310 0.317 0.106 0.483 5 A N 7.307 130.272 122.820 0.241 0.000 2.401 5 A HA 0.548 4.938 4.320 0.116 0.000 0.310 5 A C -2.271 175.369 177.584 0.094 0.000 1.075 5 A CA -1.266 50.858 52.037 0.145 0.000 0.746 5 A CB 3.825 22.901 19.000 0.126 0.000 1.277 5 A HN 0.510 8.830 8.150 0.282 0.000 0.425 6 T N 0.382 114.963 114.554 0.044 0.000 2.856 6 T HA 0.358 4.905 4.350 0.023 -0.183 0.292 6 T C -0.083 174.611 174.700 -0.011 0.000 0.980 6 T CA -1.521 60.591 62.100 0.020 0.000 1.091 6 T CB 0.884 69.763 68.868 0.019 0.000 0.936 6 T HN 0.042 8.305 8.240 0.038 0.000 0.503 7 T N 6.324 120.874 114.554 -0.006 0.000 2.829 7 T HA 0.565 5.089 4.350 -0.018 -0.185 0.280 7 T C -1.422 173.333 174.700 0.091 0.000 0.999 7 T CA -1.677 60.434 62.100 0.018 0.000 0.983 7 T CB 1.751 70.641 68.868 0.036 0.000 0.968 7 T HN 0.265 8.382 8.240 -0.014 0.115 0.446 8 T N 9.506 124.121 114.554 0.101 0.000 2.861 8 T HA 0.547 4.950 4.350 0.089 0.000 0.287 8 T C -2.442 172.249 174.700 -0.014 0.000 1.003 8 T CA -2.333 59.806 62.100 0.064 0.000 0.977 8 T CB 2.184 71.053 68.868 0.002 0.000 0.996 8 T HN 0.329 8.614 8.240 0.075 0.000 0.448 9 P HA 0.157 4.280 4.420 -0.806 -0.187 0.268 9 P C 0.356 177.519 177.300 -0.228 0.000 1.205 9 P CA -0.316 62.513 63.100 -0.451 0.000 0.771 9 P CB 0.372 31.824 31.700 -0.413 0.000 0.858 10 I N -1.053 119.385 120.570 -0.219 0.000 2.928 10 I HA -0.153 3.959 4.170 -0.097 0.000 0.266 10 I C -0.531 175.527 176.117 -0.097 0.000 1.234 10 I CA 0.628 61.857 61.300 -0.118 0.000 1.483 10 I CB 0.131 38.082 38.000 -0.082 0.000 1.097 10 I HN 0.194 8.231 8.210 -0.288 0.000 0.455 11 D N -2.449 117.884 120.400 -0.112 0.000 2.692 11 D HA 0.044 4.640 4.640 -0.074 0.000 0.303 11 D C -0.006 176.249 176.300 -0.075 0.000 1.278 11 D CA -1.152 52.798 54.000 -0.083 0.000 0.852 11 D CB 0.534 41.291 40.800 -0.072 0.000 1.375 11 D HN -0.734 7.495 8.370 -0.148 0.052 0.453 12 S N -2.314 113.345 115.700 -0.068 0.000 2.515 12 S HA -0.166 4.284 4.470 -0.033 0.000 0.231 12 S C 0.367 174.973 174.600 0.009 0.000 0.987 12 S CA 2.545 60.713 58.200 -0.053 0.000 0.936 12 S CB -0.162 62.976 63.200 -0.104 0.000 0.766 12 S HN 0.309 8.573 8.310 -0.077 0.000 0.528 13 L N -0.372 120.822 121.223 -0.048 0.000 2.607 13 L HA 0.172 4.504 4.340 -0.013 0.000 0.228 13 L C -0.916 175.973 176.870 0.033 0.000 1.123 13 L CA -0.315 54.474 54.840 -0.085 0.000 0.890 13 L CB 0.697 42.504 42.059 -0.419 0.000 1.103 13 L HN -0.889 7.419 8.230 -0.079 -0.126 0.468 14 D N -3.685 116.674 120.400 -0.068 0.000 2.723 14 D HA -0.305 4.089 4.640 -0.410 0.000 0.236 14 D C -0.027 176.268 176.300 -0.008 0.000 1.138 14 D CA 1.733 55.611 54.000 -0.203 0.000 0.676 14 D CB -2.101 38.572 40.800 -0.212 0.000 1.069 14 D HN -0.598 7.702 8.370 -0.073 0.027 0.430 15 D N -2.877 117.555 120.400 0.053 0.000 2.144 15 D HA -0.319 4.543 4.640 0.369 0.000 0.199 15 D C -0.895 175.456 176.300 0.085 0.000 0.984 15 D CA 2.804 56.911 54.000 0.178 0.000 0.834 15 D CB 0.789 41.671 40.800 0.136 0.000 0.955 15 D HN -0.167 8.482 8.370 -0.011 -0.286 0.465 16 A N -7.815 114.969 122.820 -0.060 0.000 2.586 16 A HA 0.210 4.627 4.320 0.162 0.000 0.290 16 A C -2.610 174.847 177.584 -0.212 0.000 1.086 16 A CA -0.830 51.215 52.037 0.013 0.000 0.665 16 A CB 2.570 21.608 19.000 0.064 0.000 1.279 16 A HN -0.579 7.457 8.150 -0.159 0.019 0.423 17 Y N -2.555 117.770 120.300 0.042 0.000 2.425 17 Y HA 0.634 5.363 4.550 0.002 -0.178 0.344 17 Y C -0.539 175.357 175.900 -0.006 0.000 0.969 17 Y CA -1.142 56.969 58.100 0.018 0.000 1.052 17 Y CB 3.271 41.753 38.460 0.036 0.000 1.215 17 Y HN 0.243 8.714 8.280 0.318 0.000 0.451 18 I N -3.583 117.028 120.570 0.068 0.000 2.603 18 I HA 0.838 5.162 4.170 -0.025 -0.170 0.300 18 I C -0.926 175.131 176.117 -0.101 0.000 1.017 18 I CA -2.274 59.012 61.300 -0.024 0.000 1.098 18 I CB 3.049 41.026 38.000 -0.038 0.000 1.279 18 I HN 0.552 8.793 8.210 0.052 0.000 0.437 19 T N 4.212 118.623 114.554 -0.239 0.000 2.921 19 T HA 0.781 5.130 4.350 -0.249 -0.149 0.297 19 T C -2.363 172.198 174.700 -0.230 0.000 1.013 19 T CA -2.599 59.274 62.100 -0.379 0.000 0.990 19 T CB 2.074 70.283 68.868 -1.099 0.000 1.023 19 T HN 0.295 8.409 8.240 -0.210 0.000 0.447 20 P HA 0.170 4.700 4.420 -0.072 -0.153 0.275 20 P C -1.546 175.716 177.300 -0.064 0.000 1.227 20 P CA -0.580 62.472 63.100 -0.079 0.000 0.781 20 P CB 0.573 32.242 31.700 -0.052 0.000 0.906 21 V N 1.520 121.395 119.914 -0.066 0.000 2.686 21 V HA 0.315 4.483 4.120 -0.116 -0.118 0.306 21 V C -1.486 174.546 176.094 -0.103 0.000 1.065 21 V CA -1.650 60.587 62.300 -0.105 0.000 0.894 21 V CB 3.064 34.801 31.823 -0.144 0.000 1.004 21 V HN 0.508 8.659 8.190 -0.066 0.000 0.424 22 Q N 6.148 125.888 119.800 -0.101 0.000 2.303 22 Q HA 0.407 4.866 4.340 -0.053 -0.151 0.257 22 Q C -0.975 174.971 176.000 -0.089 0.000 0.941 22 Q CA -0.866 54.896 55.803 -0.068 0.000 0.931 22 Q CB 1.126 29.843 28.738 -0.036 0.000 1.215 22 Q HN 0.393 8.595 8.270 -0.113 0.000 0.437 23 I N 3.622 124.142 120.570 -0.082 0.000 2.436 23 I HA 0.665 4.915 4.170 -0.131 -0.159 0.289 23 I C -0.339 175.778 176.117 -0.000 0.000 1.010 23 I CA -1.294 59.931 61.300 -0.125 0.000 1.098 23 I CB 2.279 40.080 38.000 -0.333 0.000 1.266 23 I HN 0.355 8.532 8.210 -0.054 0.000 0.434 24 G N 7.500 116.316 108.800 0.026 0.000 2.728 24 G HA2 -0.293 3.770 3.960 0.172 0.000 0.294 24 G HA3 -0.293 4.077 3.960 0.102 -0.348 0.294 24 G C -1.555 173.382 174.900 0.061 0.000 1.342 24 G CA -0.389 44.771 45.100 0.100 0.000 0.866 24 G HN 0.830 9.115 8.290 -0.008 0.000 0.534 25 T N 1.669 116.259 114.554 0.060 0.000 2.890 25 T HA 0.418 4.788 4.350 0.033 0.000 0.295 25 T C -2.031 172.688 174.700 0.030 0.000 0.993 25 T CA -1.977 60.146 62.100 0.038 0.000 0.979 25 T CB 1.440 70.328 68.868 0.033 0.000 0.967 25 T HN -0.324 7.959 8.240 0.072 0.000 0.441 26 P HA -0.079 4.354 4.420 0.021 0.000 0.271 26 P C -1.316 176.002 177.300 0.031 0.000 1.233 26 P CA -0.528 62.586 63.100 0.023 0.000 0.789 26 P CB 0.536 32.246 31.700 0.016 0.000 0.951 27 A N -0.963 121.872 122.820 0.025 0.000 2.540 27 A HA -0.185 4.423 4.320 0.028 -0.271 0.239 27 A C -0.033 177.569 177.584 0.030 0.000 1.061 27 A CA 0.668 52.719 52.037 0.024 0.000 0.758 27 A CB 0.510 19.516 19.000 0.011 0.000 0.991 27 A HN 0.038 8.200 8.150 0.020 0.000 0.502 28 Q N 4.075 123.902 119.800 0.045 0.000 2.347 28 Q HA 0.177 4.541 4.340 0.041 0.000 0.262 28 Q C -0.747 175.264 176.000 0.020 0.000 0.980 28 Q CA -1.369 54.466 55.803 0.054 0.000 0.867 28 Q CB 2.203 31.019 28.738 0.130 0.000 1.242 28 Q HN 0.121 8.311 8.270 0.049 0.110 0.453 29 T N 7.439 121.997 114.554 0.005 0.000 2.728 29 T HA 0.323 4.859 4.350 -0.029 -0.203 0.296 29 T C -0.977 173.711 174.700 -0.020 0.000 0.940 29 T CA 0.447 62.537 62.100 -0.016 0.000 1.013 29 T CB 0.387 69.246 68.868 -0.016 0.000 0.912 29 T HN 0.361 8.607 8.240 0.010 0.000 0.484 30 L N 5.949 127.149 121.223 -0.039 0.000 2.342 30 L HA 0.329 4.647 4.340 -0.036 0.000 0.271 30 L C -1.945 174.888 176.870 -0.061 0.000 1.008 30 L CA -1.258 53.555 54.840 -0.046 0.000 0.818 30 L CB 3.784 45.814 42.059 -0.049 0.000 1.296 30 L HN 0.369 8.568 8.230 -0.052 0.000 0.427 31 N N 1.930 120.592 118.700 -0.064 0.000 2.439 31 N HA 0.277 5.131 4.740 -0.070 -0.156 0.249 31 N C -1.369 174.099 175.510 -0.069 0.000 1.003 31 N CA 0.143 53.152 53.050 -0.067 0.000 0.942 31 N CB 1.022 39.471 38.487 -0.064 0.000 1.115 31 N HN 0.223 8.916 8.380 -0.064 -0.352 0.505 32 L N 2.656 123.848 121.223 -0.051 0.000 2.330 32 L HA 0.468 4.895 4.340 -0.094 -0.144 0.271 32 L C -1.400 175.492 176.870 0.037 0.000 1.013 32 L CA -1.515 53.302 54.840 -0.038 0.000 0.816 32 L CB 2.885 44.920 42.059 -0.039 0.000 1.287 32 L HN 0.328 8.532 8.230 -0.043 0.000 0.435 33 D N 1.653 122.067 120.400 0.023 0.000 2.339 33 D HA 0.252 5.129 4.640 0.097 -0.179 0.241 33 D C -0.591 175.808 176.300 0.165 0.000 1.183 33 D CA -1.812 52.240 54.000 0.086 0.000 0.859 33 D CB 0.968 41.802 40.800 0.056 0.000 1.067 33 D HN -0.094 8.245 8.370 -0.051 0.000 0.484 34 F N 5.767 125.618 119.950 -0.164 0.000 2.472 34 F HA 0.176 4.696 4.527 -0.315 -0.182 0.364 34 F C -0.179 175.523 175.800 -0.164 0.000 1.090 34 F CA -1.924 55.893 58.000 -0.304 0.000 1.188 34 F CB 0.152 38.718 39.000 -0.723 0.000 1.105 34 F HN 0.149 8.611 8.300 0.269 0.000 0.536 35 D N 5.114 125.508 120.400 -0.010 0.000 2.440 35 D HA 0.383 5.090 4.640 0.111 0.000 0.252 35 D C 1.055 177.401 176.300 0.077 0.000 1.180 35 D CA -1.588 52.455 54.000 0.071 0.000 0.894 35 D CB 2.024 42.884 40.800 0.100 0.000 1.111 35 D HN 0.277 8.580 8.370 -0.111 0.000 0.544 36 T N 3.166 117.775 114.554 0.091 0.000 3.163 36 T HA -0.028 4.406 4.350 0.140 0.000 0.260 36 T C 0.658 175.602 174.700 0.407 0.000 1.156 36 T CA 1.407 63.609 62.100 0.170 0.000 1.072 36 T CB -0.277 68.574 68.868 -0.028 0.000 0.937 36 T HN 0.130 8.423 8.240 0.088 0.000 0.528 37 G N 0.593 109.611 108.800 0.363 0.000 3.088 37 G HA2 0.098 4.367 3.960 0.367 0.000 0.217 37 G HA3 0.098 4.412 3.960 0.589 0.000 0.217 37 G C -0.951 174.269 174.900 0.533 0.000 1.159 37 G CA -0.721 44.660 45.100 0.468 0.000 0.760 37 G HN -0.500 8.195 8.290 0.286 -0.233 0.550 38 S N -2.405 113.536 115.700 0.402 0.000 2.705 38 S HA 0.260 4.943 4.470 0.354 0.000 0.280 38 S C -1.500 173.238 174.600 0.231 0.000 1.174 38 S CA -1.330 57.085 58.200 0.357 0.000 0.823 38 S CB 2.424 65.913 63.200 0.482 0.000 1.162 38 S HN -0.668 7.844 8.310 0.336 0.000 0.487 39 S N -0.331 115.476 115.700 0.177 0.000 3.031 39 S HA 0.263 4.782 4.470 0.082 0.000 0.253 39 S C -1.751 172.884 174.600 0.058 0.000 0.996 39 S CA -0.442 57.817 58.200 0.099 0.000 1.098 39 S CB 1.507 64.758 63.200 0.085 0.000 1.042 39 S HN 0.372 8.799 8.310 0.195 0.000 0.593 40 D N 1.313 121.764 120.400 0.084 0.000 2.256 40 D HA 0.208 5.059 4.640 -0.033 -0.230 0.246 40 D C -1.306 174.976 176.300 -0.029 0.000 1.042 40 D CA -0.415 53.599 54.000 0.024 0.000 0.841 40 D CB 2.621 43.464 40.800 0.072 0.000 1.223 40 D HN -0.611 7.847 8.370 0.147 0.000 0.470 41 L N 4.918 126.061 121.223 -0.133 0.000 2.272 41 L HA 0.585 5.005 4.340 -0.246 -0.228 0.284 41 L C -1.822 174.912 176.870 -0.227 0.000 1.045 41 L CA -1.082 53.631 54.840 -0.212 0.000 0.842 41 L CB 1.065 42.995 42.059 -0.215 0.000 1.224 41 L HN 0.309 8.455 8.230 -0.140 0.000 0.430 42 W N 5.474 126.566 121.300 -0.348 0.000 2.950 42 W HA 0.988 5.535 4.660 -0.483 -0.177 0.340 42 W C -2.926 173.480 176.519 -0.188 0.000 1.139 42 W CA -2.620 54.461 57.345 -0.439 0.000 1.188 42 W CB 3.762 32.736 29.460 -0.811 0.000 1.426 42 W HN 0.289 8.229 8.180 -0.400 0.000 0.531 43 V N -5.875 114.167 119.914 0.213 0.000 2.925 43 V HA 0.671 4.858 4.120 -0.110 -0.133 0.311 43 V C -1.603 174.764 176.094 0.455 0.000 1.104 43 V CA -3.516 58.870 62.300 0.142 0.000 0.954 43 V CB 3.021 34.881 31.823 0.061 0.000 1.022 43 V HN 0.393 8.803 8.190 0.367 0.000 0.427 44 F N 3.355 123.456 119.950 0.252 0.000 2.602 44 F HA 0.031 4.769 4.527 0.351 0.000 0.367 44 F C 0.064 176.001 175.800 0.228 0.000 1.126 44 F CA 2.513 60.677 58.000 0.273 0.000 1.321 44 F CB 0.271 39.378 39.000 0.179 0.000 1.094 44 F HN -0.003 8.651 8.300 0.589 0.000 0.594 45 S N 0.665 116.581 115.700 0.360 0.000 2.638 45 S HA 0.515 5.369 4.470 0.244 -0.238 0.274 45 S C 1.127 175.818 174.600 0.152 0.000 1.157 45 S CA -1.745 56.600 58.200 0.243 0.000 0.826 45 S CB 2.483 65.828 63.200 0.242 0.000 1.139 45 S HN -0.182 8.333 8.310 0.342 0.000 0.474 46 S N 3.683 119.416 115.700 0.054 0.000 2.469 46 S HA -0.190 4.307 4.470 0.045 0.000 0.238 46 S C 0.680 175.305 174.600 0.042 0.000 0.998 46 S CA 2.644 60.859 58.200 0.025 0.000 0.957 46 S CB -0.253 62.920 63.200 -0.045 0.000 0.764 46 S HN 0.583 8.896 8.310 0.004 0.000 0.514 47 E N -0.696 119.542 120.200 0.063 0.000 2.299 47 E HA 0.020 4.403 4.350 0.054 0.000 0.193 47 E C 0.533 177.172 176.600 0.065 0.000 0.998 47 E CA 0.702 57.144 56.400 0.071 0.000 0.851 47 E CB 0.306 30.070 29.700 0.107 0.000 0.795 47 E HN -0.687 7.665 8.360 0.072 0.051 0.492 48 T N 3.380 117.986 114.554 0.086 0.000 2.916 48 T HA -0.177 4.329 4.350 0.024 -0.142 0.303 48 T C 0.103 174.838 174.700 0.059 0.000 1.025 48 T CA 1.487 63.625 62.100 0.063 0.000 1.142 48 T CB 0.315 69.241 68.868 0.096 0.000 0.947 48 T HN -0.599 7.540 8.240 0.111 0.167 0.544 49 T N 7.318 121.889 114.554 0.029 0.000 2.849 49 T HA -0.281 4.086 4.350 0.027 0.000 0.289 49 T C 0.831 175.569 174.700 0.063 0.000 1.010 49 T CA 2.440 64.560 62.100 0.032 0.000 1.161 49 T CB 0.397 69.272 68.868 0.012 0.000 0.989 49 T HN -0.010 8.232 8.240 0.004 0.000 0.523 50 A N 8.614 131.469 122.820 0.058 0.000 1.933 50 A HA -0.226 4.147 4.320 0.088 0.000 0.218 50 A C 1.770 179.401 177.584 0.079 0.000 1.175 50 A CA 2.980 55.060 52.037 0.071 0.000 0.628 50 A CB -0.149 18.882 19.000 0.051 0.000 0.814 50 A HN 0.507 8.684 8.150 0.045 0.000 0.444 51 S N -2.579 113.159 115.700 0.064 0.000 2.474 51 S HA -0.204 4.303 4.470 0.062 0.000 0.235 51 S C 0.654 175.308 174.600 0.090 0.000 0.997 51 S CA 2.120 60.359 58.200 0.065 0.000 0.949 51 S CB -0.861 62.367 63.200 0.047 0.000 0.766 51 S HN 0.251 8.593 8.310 0.052 0.000 0.517 52 E N -0.186 120.080 120.200 0.110 0.000 2.474 52 E HA 0.126 4.566 4.350 0.150 0.000 0.195 52 E C -1.331 175.434 176.600 0.275 0.000 1.039 52 E CA 0.005 56.499 56.400 0.157 0.000 0.881 52 E CB 0.820 30.584 29.700 0.107 0.000 0.970 52 E HN -0.443 7.809 8.360 0.099 0.167 0.486 57 T N 4.911 119.382 114.554 -0.137 0.000 2.856 57 T HA 0.207 4.540 4.350 -0.028 0.000 0.292 57 T C -0.771 173.938 174.700 0.015 0.000 0.980 57 T CA 0.532 62.605 62.100 -0.045 0.000 1.091 57 T CB 0.727 69.575 68.868 -0.033 0.000 0.936 57 T HN 0.224 8.656 8.240 -0.160 -0.289 0.503 58 I N -0.882 119.733 120.570 0.074 0.000 2.648 58 I HA 0.299 4.742 4.170 0.225 -0.138 0.304 58 I C -1.894 174.325 176.117 0.170 0.000 1.009 58 I CA -2.971 58.425 61.300 0.160 0.000 1.114 58 I CB 2.618 40.712 38.000 0.157 0.000 1.293 58 I HN -0.171 8.071 8.210 0.053 0.000 0.449 59 Y N 5.741 126.078 120.300 0.061 0.000 2.313 59 Y HA 0.272 5.012 4.550 -0.003 -0.192 0.332 59 Y C -0.918 174.980 175.900 -0.004 0.000 1.071 59 Y CA -1.565 56.543 58.100 0.014 0.000 1.169 59 Y CB 1.980 40.446 38.460 0.009 0.000 1.192 59 Y HN 0.116 8.598 8.280 0.336 0.000 0.487 60 T N 10.125 124.420 114.554 -0.432 0.000 2.874 60 T HA 0.579 4.671 4.350 -0.431 0.000 0.321 60 T C -1.297 172.913 174.700 -0.816 0.000 1.075 60 T CA -2.860 58.944 62.100 -0.493 0.000 0.966 60 T CB 0.037 68.775 68.868 -0.217 0.000 1.001 60 T HN 0.288 8.702 8.240 -0.275 -0.339 0.476 61 P HA -0.067 3.665 4.420 -1.148 0.000 0.218 61 P C 1.260 178.279 177.300 -0.469 0.000 1.148 61 P CA 1.875 64.366 63.100 -1.014 0.000 0.822 61 P CB 0.164 31.031 31.700 -1.389 0.000 0.784 62 S N -4.222 111.281 115.700 -0.327 0.000 2.555 62 S HA -0.190 4.209 4.470 -0.118 0.000 0.230 62 S C 0.610 175.138 174.600 -0.120 0.000 0.978 62 S CA 1.844 59.951 58.200 -0.155 0.000 0.934 62 S CB -1.093 62.049 63.200 -0.097 0.000 0.766 62 S HN 0.412 8.487 8.310 -0.352 0.024 0.533 63 K N 0.026 120.336 120.400 -0.150 0.000 2.404 63 K HA 0.116 4.399 4.320 -0.062 0.000 0.194 63 K C -0.597 175.969 176.600 -0.056 0.000 1.023 63 K CA -0.080 56.155 56.287 -0.087 0.000 1.094 63 K CB 0.570 33.023 32.500 -0.079 0.000 0.841 63 K HN -0.604 7.463 8.250 -0.219 0.052 0.523 64 S N -0.788 114.873 115.700 -0.066 0.000 2.433 64 S HA 0.356 5.054 4.470 0.017 -0.218 0.310 64 S C 1.614 176.221 174.600 0.012 0.000 1.097 64 S CA -1.988 56.212 58.200 0.001 0.000 1.103 64 S CB 1.214 64.451 63.200 0.061 0.000 0.992 64 S HN -0.571 7.496 8.310 -0.117 0.172 0.469 65 T N 8.282 122.849 114.554 0.022 0.000 3.035 65 T HA 0.001 4.364 4.350 0.021 0.000 0.268 65 T C 0.737 175.462 174.700 0.040 0.000 1.109 65 T CA 2.753 64.868 62.100 0.025 0.000 1.119 65 T CB -0.129 68.752 68.868 0.021 0.000 0.900 65 T HN 0.722 8.976 8.240 0.022 0.000 0.503 66 T N -0.249 114.336 114.554 0.052 0.000 3.060 66 T HA 0.019 4.402 4.350 0.055 0.000 0.249 66 T C -0.535 174.220 174.700 0.092 0.000 1.079 66 T CA -0.427 61.710 62.100 0.062 0.000 1.013 66 T CB 0.094 68.995 68.868 0.054 0.000 0.975 66 T HN -0.661 7.554 8.240 0.052 0.056 0.518 67 A N 2.311 125.197 122.820 0.110 0.000 2.440 67 A HA 0.142 4.787 4.320 0.208 -0.200 0.251 67 A C -0.426 177.291 177.584 0.222 0.000 1.089 67 A CA -0.163 51.982 52.037 0.179 0.000 0.779 67 A CB 0.623 19.685 19.000 0.104 0.000 1.022 67 A HN -0.863 7.285 8.150 0.085 0.053 0.492 68 K N 3.217 123.785 120.400 0.279 0.000 2.397 68 K HA 0.276 4.706 4.320 0.184 0.000 0.253 68 K C -1.502 175.198 176.600 0.167 0.000 0.932 68 K CA -1.738 54.669 56.287 0.199 0.000 0.795 68 K CB 3.107 35.668 32.500 0.102 0.000 1.159 68 K HN 0.178 8.606 8.250 0.296 0.000 0.424 69 L N 4.573 125.793 121.223 -0.004 0.000 2.410 69 L HA -0.015 3.813 4.340 -0.854 0.000 0.273 69 L C -0.452 176.303 176.870 -0.191 0.000 1.152 69 L CA 0.363 54.974 54.840 -0.382 0.000 0.855 69 L CB 0.780 42.645 42.059 -0.324 0.000 1.129 69 L HN 0.359 8.630 8.230 0.067 0.000 0.463 70 L N 8.644 129.748 121.223 -0.198 0.000 2.334 70 L HA 0.206 4.510 4.340 -0.060 0.000 0.286 70 L C -1.066 175.752 176.870 -0.087 0.000 1.108 70 L CA -0.861 53.925 54.840 -0.091 0.000 0.875 70 L CB 0.351 42.380 42.059 -0.051 0.000 1.246 70 L HN 0.542 8.601 8.230 -0.285 0.000 0.439 71 S N 8.359 124.020 115.700 -0.064 0.000 2.537 71 S HA -0.153 4.276 4.470 -0.069 0.000 0.286 71 S C 0.982 175.559 174.600 -0.038 0.000 1.299 71 S CA 1.845 60.013 58.200 -0.054 0.000 1.067 71 S CB 0.289 63.467 63.200 -0.036 0.000 0.864 71 S HN 0.436 8.715 8.310 -0.052 0.000 0.494 72 G N 3.754 112.533 108.800 -0.036 0.000 2.184 72 G HA2 -0.375 3.573 3.960 -0.020 0.000 0.264 72 G HA3 -0.375 3.570 3.960 -0.024 0.000 0.264 72 G C -1.534 173.357 174.900 -0.015 0.000 0.975 72 G CA 0.069 45.155 45.100 -0.024 0.000 0.642 72 G HN 0.381 8.645 8.290 -0.044 0.000 0.536 73 A N 1.808 124.621 122.820 -0.012 0.000 2.309 73 A HA 0.654 5.186 4.320 0.019 -0.201 0.298 73 A C -1.451 176.163 177.584 0.049 0.000 1.165 73 A CA -0.772 51.276 52.037 0.019 0.000 0.821 73 A CB 1.800 20.814 19.000 0.022 0.000 1.102 73 A HN -0.625 7.446 8.150 -0.026 0.063 0.500 74 T N -2.210 112.385 114.554 0.069 0.000 2.865 74 T HA 0.753 5.286 4.350 0.113 -0.115 0.294 74 T C -1.654 173.147 174.700 0.169 0.000 1.119 74 T CA -1.854 60.292 62.100 0.076 0.000 1.007 74 T CB 3.619 72.464 68.868 -0.038 0.000 1.225 74 T HN 0.331 8.606 8.240 0.059 0.000 0.515 75 W N -3.408 117.859 121.300 -0.054 0.000 3.118 75 W HA 0.597 5.370 4.660 -0.058 -0.148 0.328 75 W C -2.872 173.583 176.519 -0.105 0.000 1.239 75 W CA -1.979 55.326 57.345 -0.067 0.000 1.176 75 W CB 3.309 32.740 29.460 -0.048 0.000 1.433 75 W HN 0.124 8.181 8.180 -0.206 0.000 0.562 76 S N 1.563 117.261 115.700 -0.005 0.000 2.592 76 S HA 0.461 4.826 4.470 -0.455 -0.168 0.275 76 S C -1.667 172.910 174.600 -0.039 0.000 1.169 76 S CA -0.273 57.803 58.200 -0.206 0.000 0.958 76 S CB 1.978 65.049 63.200 -0.216 0.000 1.095 76 S HN -0.141 8.273 8.310 0.172 0.000 0.471 77 I N 5.230 125.753 120.570 -0.079 0.000 2.769 77 I HA 0.405 4.507 4.170 -0.115 0.000 0.298 77 I C -2.740 173.236 176.117 -0.234 0.000 1.128 77 I CA -1.202 60.017 61.300 -0.135 0.000 1.031 77 I CB 3.846 41.778 38.000 -0.113 0.000 1.235 77 I HN 0.585 8.697 8.210 -0.162 0.000 0.423 78 S N 4.151 119.678 115.700 -0.289 0.000 2.570 78 S HA 0.676 5.245 4.470 -0.118 -0.170 0.286 78 S C -1.479 172.942 174.600 -0.298 0.000 1.099 78 S CA -1.735 56.347 58.200 -0.198 0.000 0.913 78 S CB 2.778 65.948 63.200 -0.049 0.000 1.085 78 S HN -0.135 8.018 8.310 -0.263 0.000 0.480 79 Y N 2.386 122.793 120.300 0.177 0.000 2.602 79 Y HA 0.284 4.949 4.550 0.190 0.000 0.330 79 Y C 0.979 176.948 175.900 0.116 0.000 1.114 79 Y CA -1.185 57.023 58.100 0.181 0.000 1.182 79 Y CB 2.109 40.714 38.460 0.240 0.000 1.305 79 Y HN -0.097 8.328 8.280 0.241 0.000 0.502 80 G N 0.913 109.880 108.800 0.277 0.000 2.448 80 G HA2 -0.370 3.649 3.960 0.098 0.000 0.219 80 G HA3 -0.370 3.656 3.960 0.109 0.000 0.219 80 G C 0.257 175.211 174.900 0.091 0.000 1.127 80 G CA 1.428 46.608 45.100 0.132 0.000 0.766 80 G HN 0.604 9.102 8.290 0.347 0.000 0.552 81 D N -2.515 117.955 120.400 0.118 0.000 2.328 81 D HA -0.049 4.614 4.640 0.039 0.000 0.226 81 D C 0.990 177.333 176.300 0.072 0.000 1.066 81 D CA -1.241 52.799 54.000 0.068 0.000 0.861 81 D CB -1.042 39.786 40.800 0.047 0.000 0.912 81 D HN -0.495 7.948 8.370 0.172 0.030 0.521 82 G N -1.540 107.325 108.800 0.108 0.000 2.176 82 G HA2 -0.326 3.672 3.960 0.063 0.000 0.253 82 G HA3 -0.326 3.686 3.960 0.086 0.000 0.253 82 G C 0.235 175.209 174.900 0.123 0.000 0.979 82 G CA 0.067 45.223 45.100 0.092 0.000 0.641 82 G HN -0.291 7.883 8.290 0.138 0.199 0.530 83 S N 1.420 117.229 115.700 0.181 0.000 2.614 83 S HA 0.028 4.593 4.470 0.158 0.000 0.265 83 S C -1.019 173.839 174.600 0.429 0.000 1.303 83 S CA 0.400 58.743 58.200 0.239 0.000 1.000 83 S CB 1.790 65.004 63.200 0.023 0.000 0.935 83 S HN -0.597 8.008 8.310 0.192 -0.181 0.551 84 S N -2.546 113.434 115.700 0.466 0.000 2.615 84 S HA 0.658 5.401 4.470 0.235 -0.132 0.269 84 S C -1.810 172.821 174.600 0.052 0.000 1.161 84 S CA -0.655 57.684 58.200 0.231 0.000 0.817 84 S CB 3.021 66.248 63.200 0.046 0.000 1.131 84 S HN 0.200 8.816 8.310 0.510 0.000 0.467 85 S N -1.028 114.521 115.700 -0.253 0.000 2.611 85 S HA 0.527 4.802 4.470 -0.487 -0.097 0.268 85 S C -2.184 171.918 174.600 -0.831 0.000 1.156 85 S CA -0.463 57.377 58.200 -0.600 0.000 0.817 85 S CB 1.969 64.469 63.200 -1.167 0.000 1.122 85 S HN -0.042 8.135 8.310 -0.222 0.000 0.466 86 S N -0.413 114.563 115.700 -1.206 0.000 2.587 86 S HA 0.397 3.486 4.470 -2.446 -0.086 0.269 86 S C -1.797 171.829 174.600 -1.623 0.000 1.154 86 S CA -0.603 56.590 58.200 -1.679 0.000 0.824 86 S CB 3.337 66.031 63.200 -0.842 0.000 1.118 86 S HN -0.077 7.643 8.310 -0.983 0.000 0.462 87 G N -1.542 106.225 108.800 -1.721 0.000 2.452 87 G HA2 0.130 4.127 3.960 -0.309 0.000 0.224 87 G HA3 0.130 3.831 3.960 -0.432 0.000 0.224 87 G C -2.865 171.874 174.900 -0.269 0.000 1.208 87 G CA 0.924 45.632 45.100 -0.652 0.000 0.946 87 G HN 0.029 7.106 8.290 -2.021 0.000 0.481 88 D N -1.028 119.508 120.400 0.227 0.000 2.621 88 D HA 0.640 5.402 4.640 0.204 0.000 0.255 88 D C -1.242 175.297 176.300 0.398 0.000 1.122 88 D CA -2.429 51.718 54.000 0.245 0.000 1.096 88 D CB 3.416 44.268 40.800 0.087 0.000 1.282 88 D HN -0.287 8.271 8.370 0.312 0.000 0.619 89 V N -2.619 117.384 119.914 0.147 0.000 2.686 89 V HA 0.368 4.745 4.120 0.207 -0.133 0.306 89 V C -1.444 174.596 176.094 -0.091 0.000 1.065 89 V CA -1.225 61.142 62.300 0.113 0.000 0.894 89 V CB 2.091 33.963 31.823 0.081 0.000 1.004 89 V HN 0.226 8.423 8.190 0.012 0.000 0.424 90 Y N 5.402 125.771 120.300 0.115 0.000 2.487 90 Y HA 0.711 5.481 4.550 0.094 -0.164 0.337 90 Y C 0.039 175.977 175.900 0.063 0.000 1.076 90 Y CA -1.728 56.437 58.100 0.109 0.000 1.115 90 Y CB 3.658 42.231 38.460 0.189 0.000 1.235 90 Y HN 0.665 9.168 8.280 0.372 0.000 0.468 91 T N -1.025 113.643 114.554 0.189 0.000 2.867 91 T HA 0.582 5.199 4.350 0.092 -0.212 0.282 91 T C -0.693 174.094 174.700 0.145 0.000 1.000 91 T CA -1.830 60.341 62.100 0.118 0.000 1.042 91 T CB 1.472 70.377 68.868 0.063 0.000 0.973 91 T HN 0.498 8.843 8.240 0.175 0.000 0.465 92 D N 1.838 122.290 120.400 0.086 0.000 2.665 92 D HA 0.410 5.104 4.640 0.091 0.000 0.287 92 D C -1.576 174.743 176.300 0.032 0.000 1.266 92 D CA -0.832 53.214 54.000 0.076 0.000 0.830 92 D CB 4.493 45.352 40.800 0.099 0.000 1.356 92 D HN 0.215 8.618 8.370 0.055 0.000 0.437 93 T N 3.059 117.631 114.554 0.031 0.000 2.832 93 T HA 0.244 4.791 4.350 0.024 -0.181 0.296 93 T C -0.560 174.140 174.700 0.001 0.000 0.968 93 T CA 1.723 63.836 62.100 0.022 0.000 1.107 93 T CB 0.526 69.410 68.868 0.027 0.000 0.916 93 T HN 0.302 8.568 8.240 0.043 0.000 0.517 94 V N 7.939 127.867 119.914 0.023 0.000 2.588 94 V HA 0.769 5.057 4.120 -0.062 -0.205 0.304 94 V C -1.539 174.595 176.094 0.066 0.000 1.042 94 V CA -1.650 60.647 62.300 -0.004 0.000 0.877 94 V CB 2.736 34.548 31.823 -0.019 0.000 0.996 94 V HN 0.549 8.769 8.190 0.051 0.000 0.425 95 S N 6.861 122.545 115.700 -0.026 0.000 2.500 95 S HA 0.908 5.665 4.470 0.105 -0.224 0.301 95 S C -1.749 172.771 174.600 -0.134 0.000 1.092 95 S CA -1.080 57.121 58.200 0.002 0.000 1.030 95 S CB 2.822 66.033 63.200 0.018 0.000 1.031 95 S HN 0.710 8.977 8.310 -0.072 0.000 0.483 96 V N 3.368 123.205 119.914 -0.128 0.000 2.443 96 V HA 0.154 4.193 4.120 -0.135 0.000 0.293 96 V C 0.647 176.761 176.094 0.034 0.000 1.021 96 V CA -1.768 60.431 62.300 -0.169 0.000 0.848 96 V CB 1.588 33.100 31.823 -0.518 0.000 0.998 96 V HN 0.348 8.550 8.190 0.020 0.000 0.424 97 G N 7.954 116.797 108.800 0.072 0.000 2.258 97 G HA2 -0.415 3.709 3.960 0.199 0.000 0.274 97 G HA3 -0.415 3.642 3.960 0.111 -0.031 0.274 97 G C 0.461 175.443 174.900 0.137 0.000 1.021 97 G CA 1.094 46.275 45.100 0.136 0.000 0.798 97 G HN 1.029 9.341 8.290 0.037 0.000 0.507 98 G N -3.483 105.373 108.800 0.095 0.000 2.195 98 G HA2 -0.448 3.569 3.960 0.094 0.000 0.246 98 G HA3 -0.448 3.553 3.960 0.067 0.000 0.246 98 G C -0.651 174.310 174.900 0.101 0.000 0.984 98 G CA -0.092 45.061 45.100 0.089 0.000 0.633 98 G HN 0.270 8.575 8.290 0.071 0.028 0.525 99 L N 2.016 123.320 121.223 0.134 0.000 2.265 99 L HA 0.268 4.677 4.340 0.115 0.000 0.288 99 L C -1.499 175.459 176.870 0.146 0.000 1.058 99 L CA -0.545 54.379 54.840 0.140 0.000 0.809 99 L CB 0.695 42.862 42.059 0.180 0.000 1.179 99 L HN -0.557 7.588 8.230 0.145 0.172 0.429 100 T N 9.400 124.004 114.554 0.085 0.000 2.794 100 T HA 0.338 4.907 4.350 0.116 -0.149 0.280 100 T C -1.329 173.385 174.700 0.023 0.000 0.987 100 T CA -0.213 61.933 62.100 0.076 0.000 0.993 100 T CB 1.290 70.185 68.868 0.045 0.000 0.939 100 T HN 0.265 8.543 8.240 0.062 0.000 0.449 101 V N 6.627 126.564 119.914 0.039 0.000 2.495 101 V HA 0.319 4.389 4.120 -0.083 0.000 0.298 101 V C -1.033 175.060 176.094 -0.001 0.000 1.031 101 V CA -2.323 59.949 62.300 -0.046 0.000 0.871 101 V CB 2.678 34.406 31.823 -0.159 0.000 0.988 101 V HN 0.653 8.919 8.190 0.127 0.000 0.432 102 T N 2.681 117.224 114.554 -0.018 0.000 2.929 102 T HA 0.233 4.589 4.350 0.011 0.000 0.284 102 T C 0.499 175.194 174.700 -0.007 0.000 1.014 102 T CA -1.169 60.930 62.100 -0.001 0.000 1.051 102 T CB 1.121 69.989 68.868 0.001 0.000 1.028 102 T HN 0.218 8.438 8.240 -0.033 0.000 0.485 103 G N 1.044 109.849 108.800 0.008 0.000 2.153 103 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.252 103 G HA3 -0.377 3.595 3.960 0.020 0.000 0.252 103 G C -0.460 174.441 174.900 0.001 0.000 0.994 103 G CA 0.538 45.643 45.100 0.007 0.000 0.698 103 G HN 0.102 8.402 8.290 0.017 0.000 0.521 104 Q N -0.068 119.734 119.800 0.004 0.000 2.313 104 Q HA -0.084 4.249 4.340 -0.011 0.000 0.266 104 Q C -0.540 175.458 176.000 -0.003 0.000 0.989 104 Q CA -0.927 54.876 55.803 -0.000 0.000 0.890 104 Q CB 1.116 29.870 28.738 0.027 0.000 1.200 104 Q HN -0.767 7.470 8.270 0.009 0.039 0.396 105 A N 6.872 129.683 122.820 -0.015 0.000 2.491 105 A HA 0.166 4.676 4.320 0.010 -0.184 0.261 105 A C -0.975 176.576 177.584 -0.056 0.000 1.101 105 A CA -0.046 51.980 52.037 -0.019 0.000 0.772 105 A CB 0.271 19.252 19.000 -0.032 0.000 1.043 105 A HN 0.535 8.674 8.150 -0.019 0.000 0.501 106 V N 6.166 126.062 119.914 -0.030 0.000 2.334 106 V HA 0.088 4.117 4.120 -0.152 0.000 0.281 106 V C -1.186 174.902 176.094 -0.011 0.000 1.016 106 V CA -1.271 60.977 62.300 -0.085 0.000 0.832 106 V CB 0.922 32.641 31.823 -0.174 0.000 0.999 106 V HN 0.678 8.888 8.190 0.034 0.000 0.439 107 E N 8.222 128.313 120.200 -0.182 0.000 2.105 107 E HA 0.260 4.626 4.350 -0.180 -0.124 0.285 107 E C -1.343 175.282 176.600 0.041 0.000 1.055 107 E CA -0.768 55.403 56.400 -0.381 0.000 0.843 107 E CB 0.659 29.554 29.700 -1.341 0.000 1.067 107 E HN 0.381 8.598 8.360 -0.238 0.000 0.398 108 S N 6.399 122.371 115.700 0.454 0.000 2.452 108 S HA 0.244 4.998 4.470 0.473 0.000 0.284 108 S C -1.027 173.955 174.600 0.635 0.000 1.171 108 S CA -1.143 57.377 58.200 0.534 0.000 1.064 108 S CB 0.949 64.463 63.200 0.524 0.000 0.967 108 S HN 0.120 8.732 8.310 0.504 0.000 0.484 109 A N 8.999 132.150 122.820 0.552 0.000 2.409 109 A HA 0.095 4.758 4.320 0.311 -0.156 0.267 109 A C -1.046 176.586 177.584 0.080 0.000 1.127 109 A CA -0.199 52.018 52.037 0.300 0.000 0.795 109 A CB 0.385 19.449 19.000 0.106 0.000 1.061 109 A HN 0.179 8.638 8.150 0.515 0.000 0.502 110 K N 1.549 121.908 120.400 -0.069 0.000 2.186 110 K HA -0.125 4.347 4.320 -0.015 -0.161 0.202 110 K C 0.519 177.049 176.600 -0.117 0.000 1.052 110 K CA 2.077 58.316 56.287 -0.080 0.000 0.965 110 K CB 1.070 33.499 32.500 -0.119 0.000 0.746 110 K HN 0.131 8.281 8.250 -0.167 0.000 0.457 111 K N -4.019 116.256 120.400 -0.209 0.000 2.532 111 K HA 0.778 5.148 4.320 -0.129 -0.128 0.265 111 K C -2.140 174.291 176.600 -0.282 0.000 0.948 111 K CA -1.083 55.088 56.287 -0.193 0.000 0.842 111 K CB 4.837 37.230 32.500 -0.180 0.000 1.392 111 K HN -0.762 7.316 8.250 -0.286 0.000 0.436 112 V N -2.327 117.470 119.914 -0.195 0.000 3.007 112 V HA 0.681 4.642 4.120 -0.266 0.000 0.311 112 V C -1.401 174.724 176.094 0.051 0.000 1.120 112 V CA -2.838 59.362 62.300 -0.167 0.000 0.980 112 V CB 3.671 35.337 31.823 -0.263 0.000 1.033 112 V HN 0.090 8.483 8.190 -0.120 -0.275 0.429 113 S N 2.570 118.395 115.700 0.208 0.000 2.634 113 S HA 0.087 4.627 4.470 0.117 0.000 0.261 113 S C 1.520 176.255 174.600 0.226 0.000 1.271 113 S CA -1.155 57.166 58.200 0.202 0.000 0.985 113 S CB 2.058 65.383 63.200 0.207 0.000 0.968 113 S HN 0.283 8.769 8.310 0.294 0.000 0.568 114 S N 2.268 118.048 115.700 0.132 0.000 2.382 114 S HA -0.285 4.265 4.470 0.133 0.000 0.228 114 S C 2.110 176.773 174.600 0.104 0.000 1.027 114 S CA 4.910 63.178 58.200 0.113 0.000 0.991 114 S CB -0.462 62.778 63.200 0.065 0.000 0.823 114 S HN 0.596 8.967 8.310 0.103 0.000 0.469 115 S N 2.367 118.084 115.700 0.028 0.000 2.382 115 S HA -0.260 4.370 4.470 -0.032 -0.179 0.228 115 S C 1.641 176.212 174.600 -0.049 0.000 1.027 115 S CA 2.763 60.919 58.200 -0.073 0.000 0.991 115 S CB -0.144 62.922 63.200 -0.223 0.000 0.823 115 S HN -0.063 8.259 8.310 0.020 0.000 0.469 116 F N 0.797 120.892 119.950 0.242 0.000 2.113 116 F HA -0.218 4.528 4.527 0.364 0.000 0.297 116 F C 2.516 178.581 175.800 0.441 0.000 1.103 116 F CA 3.199 61.432 58.000 0.389 0.000 1.248 116 F CB -0.504 38.785 39.000 0.483 0.000 0.999 116 F HN -0.738 7.616 8.300 0.110 0.012 0.475 117 T N 1.388 116.260 114.554 0.530 0.000 2.699 117 T HA -0.368 4.294 4.350 0.520 0.000 0.268 117 T C 1.225 176.058 174.700 0.222 0.000 1.036 117 T CA 4.054 66.392 62.100 0.397 0.000 1.147 117 T CB -0.432 68.599 68.868 0.271 0.000 0.862 117 T HN -0.541 7.981 8.240 0.471 0.000 0.446 118 E N -2.074 118.223 120.200 0.161 0.000 2.347 118 E HA -0.143 4.250 4.350 0.072 0.000 0.196 118 E C -0.118 176.519 176.600 0.062 0.000 1.008 118 E CA 1.400 57.850 56.400 0.084 0.000 0.852 118 E CB 0.224 29.956 29.700 0.053 0.000 0.783 118 E HN -0.736 7.706 8.360 0.172 0.022 0.505 119 D N 0.056 120.508 120.400 0.087 0.000 2.485 119 D HA 0.285 4.940 4.640 0.025 0.000 0.221 119 D C 0.166 176.477 176.300 0.018 0.000 1.112 119 D CA -0.987 53.044 54.000 0.052 0.000 0.911 119 D CB -0.447 40.396 40.800 0.071 0.000 1.019 119 D HN -0.764 7.536 8.370 0.144 0.156 0.516 120 S N 4.338 120.026 115.700 -0.020 0.000 2.442 120 S HA -0.243 4.169 4.470 -0.097 0.000 0.236 120 S C 1.078 175.625 174.600 -0.088 0.000 1.007 120 S CA 2.579 60.740 58.200 -0.066 0.000 0.965 120 S CB 0.003 63.173 63.200 -0.050 0.000 0.773 120 S HN 0.407 8.710 8.310 -0.012 0.000 0.504 121 T N -1.094 113.427 114.554 -0.055 0.000 3.067 121 T HA -0.074 4.238 4.350 -0.064 0.000 0.261 121 T C 0.131 174.798 174.700 -0.054 0.000 1.110 121 T CA 1.354 63.422 62.100 -0.055 0.000 1.113 121 T CB 0.442 69.285 68.868 -0.042 0.000 0.917 121 T HN -0.676 7.693 8.240 -0.035 -0.149 0.499 122 I N 1.417 121.968 120.570 -0.033 0.000 2.330 122 I HA -0.090 4.066 4.170 -0.023 0.000 0.289 122 I C -1.391 174.698 176.117 -0.047 0.000 1.001 122 I CA -0.255 61.045 61.300 0.000 0.000 1.193 122 I CB 1.218 39.277 38.000 0.099 0.000 1.345 122 I HN -0.896 7.255 8.210 -0.023 0.045 0.461 123 D N 4.785 125.131 120.400 -0.090 0.000 2.339 123 D HA 0.134 4.630 4.640 -0.241 0.000 0.217 123 D C -0.370 175.935 176.300 0.008 0.000 1.050 123 D CA 0.207 54.149 54.000 -0.095 0.000 0.856 123 D CB 1.437 42.185 40.800 -0.087 0.000 0.922 123 D HN 0.376 8.696 8.370 -0.083 0.000 0.518 124 G N -3.833 104.828 108.800 -0.231 0.000 2.362 124 G HA2 0.041 3.674 3.960 -0.787 0.000 0.288 124 G HA3 0.041 3.098 3.960 -1.507 0.000 0.288 124 G C -3.107 171.377 174.900 -0.694 0.000 1.305 124 G CA -0.175 44.420 45.100 -0.841 0.000 0.910 124 G HN -0.826 7.295 8.290 -0.159 0.074 0.518 125 L N -1.547 119.088 121.223 -0.979 0.000 2.354 125 L HA 0.595 4.887 4.340 -0.319 -0.143 0.269 125 L C -1.989 174.641 176.870 -0.399 0.000 1.005 125 L CA -1.261 53.266 54.840 -0.523 0.000 0.819 125 L CB 4.412 46.241 42.059 -0.383 0.000 1.311 125 L HN 0.137 7.514 8.230 -1.422 0.000 0.423 126 L N 1.805 122.854 121.223 -0.290 0.000 2.353 126 L HA 0.426 4.547 4.340 -0.365 0.000 0.270 126 L C -1.752 174.911 176.870 -0.345 0.000 1.003 126 L CA -1.385 53.205 54.840 -0.416 0.000 0.862 126 L CB 2.886 44.499 42.059 -0.743 0.000 1.221 126 L HN 0.163 8.270 8.230 -0.205 0.000 0.430 127 G N 3.889 112.576 108.800 -0.187 0.000 2.432 127 G HA2 0.250 4.269 3.960 0.013 0.000 0.257 127 G HA3 0.250 4.365 3.960 -0.030 -0.173 0.257 127 G C -1.705 173.124 174.900 -0.118 0.000 1.238 127 G CA -0.020 45.039 45.100 -0.069 0.000 0.838 127 G HN -0.068 8.025 8.290 -0.166 0.098 0.547 128 L N 1.086 122.267 121.223 -0.069 0.000 3.298 128 L HA 0.339 4.640 4.340 -0.066 0.000 0.296 128 L C -0.878 176.134 176.870 0.237 0.000 1.237 128 L CA -1.342 53.457 54.840 -0.068 0.000 1.038 128 L CB 0.250 42.044 42.059 -0.441 0.000 1.423 128 L HN 0.092 8.320 8.230 -0.004 0.000 0.605 129 A N 0.290 123.255 122.820 0.242 0.000 2.260 129 A HA 0.058 4.589 4.320 0.351 0.000 0.278 129 A C -0.751 176.789 177.584 -0.074 0.000 1.269 129 A CA -0.090 52.087 52.037 0.234 0.000 0.824 129 A CB 0.924 20.138 19.000 0.358 0.000 1.238 129 A HN -0.386 7.883 8.150 0.197 0.000 0.507 130 F N -3.635 116.339 119.950 0.040 0.000 2.418 130 F HA -0.025 4.520 4.527 0.030 0.000 0.341 130 F C 1.892 177.692 175.800 0.000 0.000 1.120 130 F CA 0.988 58.975 58.000 -0.022 0.000 1.232 130 F CB 1.064 39.977 39.000 -0.145 0.000 1.175 130 F HN -0.387 8.019 8.300 0.178 0.000 0.569 131 S N 1.711 117.495 115.700 0.141 0.000 2.474 131 S HA -0.239 4.266 4.470 0.059 0.000 0.235 131 S C 2.137 176.770 174.600 0.056 0.000 0.997 131 S CA 3.677 61.920 58.200 0.073 0.000 0.949 131 S CB -0.470 62.758 63.200 0.047 0.000 0.766 131 S HN 0.764 9.178 8.310 0.173 0.000 0.517 132 T N 2.285 116.877 114.554 0.062 0.000 2.946 132 T HA -0.239 4.259 4.350 0.011 -0.141 0.271 132 T C 0.638 175.337 174.700 -0.002 0.000 1.104 132 T CA 2.496 64.607 62.100 0.017 0.000 1.114 132 T CB -0.481 68.383 68.868 -0.006 0.000 0.867 132 T HN -0.061 8.204 8.240 0.099 0.035 0.513 133 L N -2.355 118.872 121.223 0.006 0.000 2.592 133 L HA 0.037 4.357 4.340 -0.033 0.000 0.227 133 L C -0.092 176.792 176.870 0.024 0.000 1.127 133 L CA -0.362 54.472 54.840 -0.010 0.000 0.884 133 L CB -0.006 42.035 42.059 -0.030 0.000 1.065 133 L HN -0.661 7.544 8.230 0.032 0.045 0.457 134 N N -0.704 118.015 118.700 0.032 0.000 2.454 134 N HA -0.202 4.764 4.740 0.045 -0.198 0.254 134 N C 1.014 176.548 175.510 0.041 0.000 1.228 134 N CA 1.100 54.171 53.050 0.036 0.000 0.900 134 N CB 1.306 39.807 38.487 0.023 0.000 1.089 134 N HN -0.579 7.650 8.380 0.030 0.169 0.449 135 T N -0.345 114.248 114.554 0.065 0.000 3.086 135 T HA 0.010 4.394 4.350 0.057 0.000 0.250 135 T C -0.104 174.666 174.700 0.117 0.000 1.074 135 T CA -0.282 61.870 62.100 0.086 0.000 0.988 135 T CB 0.474 69.410 68.868 0.114 0.000 0.988 135 T HN -0.141 8.540 8.240 0.068 -0.401 0.530 136 V N 3.993 123.971 119.914 0.106 0.000 2.655 136 V HA 0.075 4.510 4.120 0.187 -0.203 0.300 136 V C -0.260 175.876 176.094 0.069 0.000 1.044 136 V CA 1.577 63.947 62.300 0.117 0.000 1.095 136 V CB 0.329 32.197 31.823 0.076 0.000 0.952 136 V HN -0.396 7.787 8.190 0.076 0.053 0.485 137 S N 6.690 122.429 115.700 0.065 0.000 2.542 137 S HA 0.595 5.081 4.470 0.025 0.000 0.293 137 S C -1.689 172.925 174.600 0.024 0.000 1.089 137 S CA -2.696 55.523 58.200 0.032 0.000 0.961 137 S CB 1.918 65.130 63.200 0.019 0.000 1.062 137 S HN 0.472 8.834 8.310 0.087 0.000 0.483 138 P HA 0.147 4.570 4.420 0.005 0.000 0.230 138 P C -0.117 177.187 177.300 0.007 0.000 1.168 138 P CA 0.930 64.034 63.100 0.006 0.000 0.793 138 P CB 0.294 31.994 31.700 -0.000 0.000 0.851 139 T N 1.735 116.294 114.554 0.009 0.000 2.770 139 T HA 0.135 4.488 4.350 0.004 0.000 0.283 139 T C -1.239 173.467 174.700 0.011 0.000 0.988 139 T CA -0.504 61.600 62.100 0.006 0.000 0.957 139 T CB 1.126 69.995 68.868 0.002 0.000 0.930 139 T HN -0.448 7.798 8.240 0.010 0.000 0.443 140 Q N 5.747 125.554 119.800 0.010 0.000 2.432 140 Q HA -0.134 4.357 4.340 0.020 -0.139 0.264 140 Q C -1.240 174.764 176.000 0.006 0.000 1.035 140 Q CA 1.118 56.928 55.803 0.013 0.000 0.908 140 Q CB 0.831 29.576 28.738 0.012 0.000 1.280 140 Q HN 0.221 8.496 8.270 0.008 0.000 0.455 141 Q N 0.164 119.966 119.800 0.004 0.000 2.266 141 Q HA 0.145 4.481 4.340 -0.007 0.000 0.261 141 Q C -1.118 174.877 176.000 -0.008 0.000 0.985 141 Q CA -1.216 54.583 55.803 -0.007 0.000 0.873 141 Q CB 2.086 30.814 28.738 -0.016 0.000 1.306 141 Q HN 0.142 8.417 8.270 0.007 0.000 0.447 142 K N 2.354 122.745 120.400 -0.015 0.000 2.237 142 K HA -0.075 4.241 4.320 -0.007 0.000 0.270 142 K C 0.891 177.480 176.600 -0.019 0.000 1.015 142 K CA 0.030 56.306 56.287 -0.018 0.000 0.949 142 K CB 0.771 33.249 32.500 -0.036 0.000 0.976 142 K HN 0.159 8.398 8.250 -0.018 0.000 0.472 143 T N -0.840 113.712 114.554 -0.004 0.000 2.802 143 T HA 0.006 4.355 4.350 -0.001 0.000 0.305 143 T C 0.434 175.140 174.700 0.010 0.000 1.053 143 T CA -0.536 61.571 62.100 0.011 0.000 1.058 143 T CB 1.736 70.633 68.868 0.048 0.000 0.988 143 T HN -0.224 8.018 8.240 0.004 0.000 0.539 144 F N 3.622 123.489 119.950 -0.138 0.000 2.091 144 F HA -0.338 4.314 4.527 -0.165 -0.225 0.299 144 F C 0.919 176.676 175.800 -0.072 0.000 1.103 144 F CA 3.772 61.667 58.000 -0.175 0.000 1.228 144 F CB 0.268 39.070 39.000 -0.331 0.000 0.984 144 F HN 0.636 8.999 8.300 0.104 0.000 0.477 145 F N -1.175 118.681 119.950 -0.156 0.000 2.102 145 F HA -0.462 3.973 4.527 -0.153 0.000 0.298 145 F C 1.189 176.936 175.800 -0.089 0.000 1.105 145 F CA 2.124 60.070 58.000 -0.089 0.000 1.239 145 F CB -0.074 38.989 39.000 0.104 0.000 0.991 145 F HN -0.250 8.193 8.300 0.238 0.000 0.474 146 D N -1.366 118.923 120.400 -0.184 0.000 2.123 146 D HA -0.328 4.076 4.640 -0.393 0.000 0.196 146 D C 2.764 178.923 176.300 -0.235 0.000 0.992 146 D CA 3.358 57.204 54.000 -0.258 0.000 0.833 146 D CB -0.325 40.408 40.800 -0.113 0.000 0.954 146 D HN -0.532 7.826 8.370 -0.020 0.000 0.455 147 N N -1.065 117.504 118.700 -0.218 0.000 2.309 147 N HA -0.247 4.394 4.740 -0.164 0.000 0.182 147 N C 0.533 175.880 175.510 -0.271 0.000 1.018 147 N CA 2.212 55.132 53.050 -0.217 0.000 0.876 147 N CB 0.166 38.536 38.487 -0.196 0.000 0.972 147 N HN -0.226 8.035 8.380 -0.198 0.000 0.434 148 A N -1.948 120.644 122.820 -0.379 0.000 2.072 148 A HA -0.135 3.997 4.320 -0.314 0.000 0.216 148 A C 1.051 178.535 177.584 -0.166 0.000 1.156 148 A CA 1.559 53.398 52.037 -0.330 0.000 0.701 148 A CB -0.057 18.672 19.000 -0.452 0.000 0.816 148 A HN -0.488 7.271 8.150 -0.427 0.135 0.458 149 K N -1.255 119.022 120.400 -0.205 0.000 2.103 149 K HA -0.334 3.933 4.320 -0.089 0.000 0.207 149 K C 1.975 178.532 176.600 -0.070 0.000 1.048 149 K CA 2.847 59.043 56.287 -0.151 0.000 0.930 149 K CB -0.292 32.060 32.500 -0.248 0.000 0.716 149 K HN -0.508 7.535 8.250 -0.273 0.044 0.444 150 A N -1.607 121.166 122.820 -0.079 0.000 1.908 150 A HA -0.218 4.081 4.320 -0.035 0.000 0.218 150 A C 1.198 178.771 177.584 -0.019 0.000 1.181 150 A CA 2.193 54.203 52.037 -0.044 0.000 0.627 150 A CB -0.306 18.665 19.000 -0.048 0.000 0.818 150 A HN 0.226 8.298 8.150 -0.105 0.015 0.445 151 S N -2.250 113.437 115.700 -0.021 0.000 2.478 151 S HA -0.031 4.442 4.470 0.006 0.000 0.222 151 S C 0.932 175.556 174.600 0.040 0.000 1.008 151 S CA 0.558 58.760 58.200 0.003 0.000 0.928 151 S CB 0.676 63.869 63.200 -0.012 0.000 0.781 151 S HN -0.612 7.656 8.310 -0.043 0.017 0.518 152 L N 2.879 124.140 121.223 0.063 0.000 2.483 152 L HA -0.247 4.359 4.340 0.150 -0.176 0.275 152 L C 0.383 177.331 176.870 0.129 0.000 1.220 152 L CA 0.748 55.669 54.840 0.135 0.000 0.833 152 L CB 0.429 42.611 42.059 0.205 0.000 1.102 152 L HN -0.712 7.542 8.230 0.040 0.000 0.490 153 D N 0.809 121.304 120.400 0.158 0.000 2.218 153 D HA -0.161 4.542 4.640 0.104 0.000 0.204 153 D C -0.369 176.017 176.300 0.144 0.000 0.976 153 D CA 2.356 56.439 54.000 0.138 0.000 0.853 153 D CB 0.388 41.277 40.800 0.148 0.000 0.939 153 D HN 0.025 8.506 8.370 0.186 0.000 0.481 154 S N -4.809 111.001 115.700 0.182 0.000 2.533 154 S HA 0.246 4.797 4.470 0.135 0.000 0.271 154 S C -2.622 172.110 174.600 0.221 0.000 1.143 154 S CA -2.200 56.102 58.200 0.171 0.000 0.891 154 S CB 1.894 65.195 63.200 0.168 0.000 1.105 154 S HN -0.982 7.432 8.310 0.217 0.027 0.468 155 P HA 0.180 4.768 4.420 0.280 0.000 0.225 155 P C -2.586 175.004 177.300 0.485 0.000 1.813 155 P CA -0.123 63.137 63.100 0.267 0.000 1.013 155 P CB -1.562 30.209 31.700 0.119 0.000 1.961 156 V N 0.251 120.477 119.914 0.521 0.000 3.114 156 V HA 0.769 5.253 4.120 0.341 -0.160 0.308 156 V C -1.894 174.282 176.094 0.136 0.000 1.168 156 V CA -1.609 60.874 62.300 0.304 0.000 1.015 156 V CB 5.006 36.898 31.823 0.115 0.000 1.050 156 V HN -0.186 8.245 8.190 0.492 0.055 0.433 157 F N -0.530 119.181 119.950 -0.398 0.000 2.613 157 F HA 0.999 5.320 4.527 -0.555 -0.126 0.314 157 F C -2.178 173.315 175.800 -0.511 0.000 1.075 157 F CA -2.432 55.171 58.000 -0.662 0.000 0.945 157 F CB 3.914 42.164 39.000 -1.250 0.000 1.310 157 F HN 0.508 8.409 8.300 -0.664 0.000 0.467 158 T N -1.922 112.392 114.554 -0.400 0.000 2.893 158 T HA 0.728 4.898 4.350 -0.580 -0.169 0.291 158 T C -1.501 172.968 174.700 -0.385 0.000 1.028 158 T CA -2.462 59.320 62.100 -0.529 0.000 0.995 158 T CB 3.002 71.429 68.868 -0.736 0.000 1.051 158 T HN 0.565 8.582 8.240 -0.372 0.000 0.470 159 A N 1.656 124.197 122.820 -0.465 0.000 2.318 159 A HA 0.315 4.190 4.320 -0.741 0.000 0.317 159 A C -2.618 174.627 177.584 -0.565 0.000 1.159 159 A CA -1.474 50.250 52.037 -0.522 0.000 0.799 159 A CB 3.071 21.936 19.000 -0.225 0.000 1.194 159 A HN 0.637 8.459 8.150 -0.547 0.000 0.479 160 D N 5.278 125.369 120.400 -0.514 0.000 2.443 160 D HA 0.423 4.948 4.640 -0.192 0.000 0.281 160 D C -1.149 174.986 176.300 -0.275 0.000 1.210 160 D CA -1.067 52.782 54.000 -0.253 0.000 0.875 160 D CB 1.222 42.000 40.800 -0.036 0.000 1.125 160 D HN -0.107 7.878 8.370 -0.641 0.000 0.503 161 L N 2.547 123.578 121.223 -0.320 0.000 2.371 161 L HA 0.148 4.206 4.340 -0.470 0.000 0.272 161 L C -0.676 176.108 176.870 -0.145 0.000 1.124 161 L CA -0.295 54.304 54.840 -0.403 0.000 0.816 161 L CB 1.457 43.130 42.059 -0.643 0.000 1.129 161 L HN 0.261 8.316 8.230 -0.291 0.000 0.448 162 G N 0.277 109.058 108.800 -0.032 0.000 2.400 162 G HA2 0.026 4.196 3.960 0.102 0.000 0.301 162 G HA3 0.026 4.036 3.960 0.084 0.000 0.301 162 G C -2.120 172.854 174.900 0.123 0.000 1.154 162 G CA -1.618 43.535 45.100 0.088 0.000 0.852 162 G HN 0.236 8.507 8.290 -0.032 0.000 0.511 163 Y N 5.590 125.818 120.300 -0.120 0.000 2.585 163 Y HA -0.118 4.315 4.550 -0.441 -0.148 0.354 163 Y C -0.137 175.682 175.900 -0.135 0.000 1.024 163 Y CA -0.465 57.434 58.100 -0.335 0.000 1.321 163 Y CB -0.959 37.119 38.460 -0.637 0.000 1.151 163 Y HN 0.390 8.766 8.280 0.160 0.000 0.525 164 H N 2.679 121.562 119.070 -0.312 0.000 2.713 164 H HA -0.380 4.186 4.556 -0.240 -0.154 0.311 164 H C -1.320 173.923 175.328 -0.142 0.000 1.175 164 H CA 1.310 57.174 56.048 -0.307 0.000 1.143 164 H CB -2.774 26.696 29.762 -0.486 0.000 1.434 164 H HN 0.021 8.364 8.280 -0.653 -0.455 0.418 165 A N -2.995 119.837 122.820 0.019 0.000 2.604 165 A HA 0.289 4.630 4.320 0.036 0.000 0.295 165 A C -2.978 174.651 177.584 0.075 0.000 1.067 165 A CA -2.144 49.923 52.037 0.050 0.000 0.683 165 A CB 1.682 20.724 19.000 0.070 0.000 1.281 165 A HN -0.537 7.621 8.150 0.020 0.004 0.407 166 P HA 0.287 4.896 4.420 0.075 -0.144 0.270 166 P C -0.586 176.743 177.300 0.048 0.000 1.223 166 P CA -0.540 62.594 63.100 0.058 0.000 0.785 166 P CB 0.564 32.285 31.700 0.035 0.000 0.923 167 G N -0.164 108.649 108.800 0.020 0.000 2.911 167 G HA2 0.628 4.671 3.960 -0.088 0.000 0.299 167 G HA3 0.628 4.579 3.960 -0.016 0.000 0.299 167 G C -2.301 172.556 174.900 -0.072 0.000 1.283 167 G CA -0.065 45.011 45.100 -0.041 0.000 0.805 167 G HN 0.310 8.617 8.290 0.028 0.000 0.548 168 T N 1.813 116.274 114.554 -0.156 0.000 2.952 168 T HA 0.748 5.256 4.350 -0.047 -0.186 0.305 168 T C -1.787 172.745 174.700 -0.281 0.000 1.064 168 T CA 0.016 62.048 62.100 -0.113 0.000 1.008 168 T CB 3.566 72.430 68.868 -0.007 0.000 1.078 168 T HN 0.116 8.225 8.240 -0.218 0.000 0.459 169 Y N 4.661 124.921 120.300 -0.067 0.000 2.331 169 Y HA 0.528 5.191 4.550 -0.167 -0.213 0.338 169 Y C -0.956 174.918 175.900 -0.044 0.000 0.976 169 Y CA -1.512 56.532 58.100 -0.094 0.000 1.137 169 Y CB 1.963 40.426 38.460 0.004 0.000 1.172 169 Y HN 0.489 8.831 8.280 0.102 0.000 0.478 170 N N 2.244 120.894 118.700 -0.083 0.000 2.361 170 N HA 0.599 5.589 4.740 0.154 -0.157 0.302 170 N C -1.500 173.838 175.510 -0.287 0.000 1.074 170 N CA -0.878 52.096 53.050 -0.127 0.000 0.850 170 N CB 3.527 41.669 38.487 -0.576 0.000 1.228 170 N HN -0.023 8.247 8.380 -0.182 0.000 0.491 171 F N 0.428 120.491 119.950 0.189 0.000 2.493 171 F HA 0.220 5.010 4.527 0.244 -0.117 0.329 171 F C 0.537 176.546 175.800 0.348 0.000 1.126 171 F CA -1.083 57.076 58.000 0.265 0.000 0.937 171 F CB 2.110 41.297 39.000 0.312 0.000 1.146 171 F HN 0.654 9.268 8.300 0.523 0.000 0.442 172 G N 2.549 111.607 108.800 0.431 0.000 2.175 172 G HA2 -0.423 3.806 3.960 0.449 0.000 0.244 172 G HA3 -0.423 4.023 3.960 0.377 -0.260 0.244 172 G C -1.961 173.216 174.900 0.461 0.000 0.982 172 G CA 0.525 45.882 45.100 0.429 0.000 0.641 172 G HN 0.547 9.043 8.290 0.343 0.000 0.527 173 F N -4.188 115.867 119.950 0.175 0.000 2.693 173 F HA 0.433 5.046 4.527 0.144 0.000 0.309 173 F C -2.679 173.223 175.800 0.169 0.000 1.129 173 F CA -2.542 55.550 58.000 0.153 0.000 0.948 173 F CB 1.983 41.066 39.000 0.139 0.000 1.315 173 F HN -1.021 7.311 8.300 0.138 0.051 0.447 174 I N 0.764 121.454 120.570 0.200 0.000 2.355 174 I HA 0.078 4.321 4.170 0.123 0.000 0.288 174 I C -1.335 174.953 176.117 0.284 0.000 0.999 174 I CA -0.941 60.474 61.300 0.193 0.000 1.163 174 I CB 2.039 40.188 38.000 0.248 0.000 1.316 174 I HN -0.017 8.391 8.210 0.331 0.000 0.454 175 D N 7.994 128.530 120.400 0.227 0.000 2.374 175 D HA 0.031 4.846 4.640 0.292 0.000 0.240 175 D C 1.192 177.465 176.300 -0.046 0.000 1.229 175 D CA -1.205 52.913 54.000 0.196 0.000 0.895 175 D CB 0.141 41.063 40.800 0.204 0.000 1.046 175 D HN 0.370 8.853 8.370 0.188 0.000 0.498 176 T N 4.140 118.650 114.554 -0.073 0.000 3.051 176 T HA -0.198 3.830 4.350 -0.536 0.000 0.269 176 T C 1.151 175.492 174.700 -0.599 0.000 1.127 176 T CA 2.726 64.604 62.100 -0.370 0.000 1.107 176 T CB -0.309 68.454 68.868 -0.176 0.000 0.898 176 T HN 0.232 8.487 8.240 0.027 0.000 0.517 177 T N -1.236 113.112 114.554 -0.343 0.000 3.129 177 T HA 0.018 4.168 4.350 -0.334 0.000 0.251 177 T C 0.417 174.934 174.700 -0.305 0.000 1.117 177 T CA 0.675 62.599 62.100 -0.294 0.000 1.034 177 T CB -0.266 68.520 68.868 -0.136 0.000 0.968 177 T HN -0.343 7.983 8.240 -0.211 -0.212 0.526 178 A N 1.801 124.384 122.820 -0.395 0.000 2.275 178 A HA 0.071 4.309 4.320 -0.137 0.000 0.212 178 A C -1.580 175.840 177.584 -0.273 0.000 1.201 178 A CA 0.425 52.303 52.037 -0.265 0.000 0.843 178 A CB 1.064 19.961 19.000 -0.171 0.000 0.873 178 A HN -0.460 7.325 8.150 -0.495 0.068 0.492 179 Y N -6.975 113.081 120.300 -0.406 0.000 2.625 179 Y HA 0.143 4.575 4.550 -0.197 0.000 0.338 179 Y C -2.037 173.747 175.900 -0.194 0.000 1.123 179 Y CA -2.254 55.661 58.100 -0.309 0.000 1.046 179 Y CB 1.331 39.516 38.460 -0.458 0.000 1.299 179 Y HN -1.125 6.624 8.280 -0.776 0.065 0.464 180 T N 1.240 115.827 114.554 0.055 0.000 2.952 180 T HA 0.205 4.501 4.350 -0.090 0.000 0.286 180 T C 0.602 175.360 174.700 0.096 0.000 1.024 180 T CA -1.278 60.821 62.100 -0.002 0.000 1.029 180 T CB 1.949 70.807 68.868 -0.018 0.000 1.094 180 T HN 0.070 8.384 8.240 0.123 0.000 0.515 181 G N 4.614 113.434 108.800 0.034 0.000 2.574 181 G HA2 -0.238 3.739 3.960 0.028 0.000 0.282 181 G HA3 -0.238 3.732 3.960 0.015 0.000 0.282 181 G C -1.901 173.076 174.900 0.128 0.000 1.257 181 G CA 0.092 45.219 45.100 0.045 0.000 0.956 181 G HN 0.270 8.554 8.290 -0.009 0.000 0.560 182 S N 0.048 115.796 115.700 0.079 0.000 2.638 182 S HA 0.078 4.675 4.470 0.210 0.000 0.302 182 S C -0.743 173.812 174.600 -0.075 0.000 1.096 182 S CA -1.143 57.106 58.200 0.082 0.000 0.953 182 S CB 2.727 65.954 63.200 0.044 0.000 1.107 182 S HN -0.099 8.228 8.310 0.030 0.000 0.503 183 I N 1.212 121.662 120.570 -0.199 0.000 2.496 183 I HA -0.125 3.945 4.170 -0.417 -0.150 0.285 183 I C 0.289 176.221 176.117 -0.308 0.000 1.080 183 I CA 0.207 61.267 61.300 -0.400 0.000 1.404 183 I CB 0.514 38.154 38.000 -0.599 0.000 1.403 183 I HN 0.232 8.367 8.210 -0.124 0.000 0.539 184 T N 8.477 122.844 114.554 -0.313 0.000 2.771 184 T HA 0.304 4.596 4.350 -0.096 0.000 0.281 184 T C -1.535 172.984 174.700 -0.301 0.000 0.982 184 T CA -0.735 61.251 62.100 -0.191 0.000 0.978 184 T CB 1.249 70.058 68.868 -0.097 0.000 0.930 184 T HN 0.159 8.217 8.240 -0.303 0.000 0.447 185 Y N 5.498 125.774 120.300 -0.040 0.000 2.376 185 Y HA 0.511 5.209 4.550 -0.085 -0.199 0.325 185 Y C 0.249 176.153 175.900 0.006 0.000 1.199 185 Y CA -0.372 57.701 58.100 -0.045 0.000 1.206 185 Y CB 2.225 40.660 38.460 -0.042 0.000 1.229 185 Y HN 0.375 8.736 8.280 0.135 0.000 0.480 186 T N 0.378 115.036 114.554 0.174 0.000 2.900 186 T HA 0.255 4.712 4.350 0.178 0.000 0.303 186 T C -1.863 172.957 174.700 0.200 0.000 1.142 186 T CA -2.503 59.706 62.100 0.182 0.000 1.007 186 T CB 3.144 72.137 68.868 0.209 0.000 1.156 186 T HN 0.420 8.757 8.240 0.163 0.000 0.490 187 A N 5.043 127.985 122.820 0.203 0.000 2.445 187 A HA -0.056 4.359 4.320 0.159 0.000 0.242 187 A C -1.701 176.025 177.584 0.238 0.000 1.075 187 A CA 0.359 52.506 52.037 0.183 0.000 0.777 187 A CB 0.761 19.846 19.000 0.143 0.000 1.013 187 A HN 0.376 8.645 8.150 0.199 0.000 0.493 188 V N 0.195 120.230 119.914 0.202 0.000 2.555 188 V HA 0.626 5.146 4.120 0.305 -0.217 0.302 188 V C -0.355 175.795 176.094 0.093 0.000 1.038 188 V CA -1.673 60.758 62.300 0.219 0.000 0.887 188 V CB 2.456 34.436 31.823 0.261 0.000 0.991 188 V HN -0.032 8.255 8.190 0.161 0.000 0.434 189 S N 4.937 120.697 115.700 0.101 0.000 2.462 189 S HA 0.341 4.792 4.470 -0.031 0.000 0.294 189 S C 0.146 174.695 174.600 -0.084 0.000 1.144 189 S CA -1.826 56.380 58.200 0.010 0.000 1.088 189 S CB 1.024 64.258 63.200 0.058 0.000 1.009 189 S HN 0.364 8.781 8.310 0.180 0.000 0.484 190 T N 4.840 119.245 114.554 -0.248 0.000 3.145 190 T HA 0.297 4.400 4.350 -0.413 0.000 0.255 190 T C 1.251 175.814 174.700 -0.228 0.000 1.039 190 T CA -0.835 61.011 62.100 -0.423 0.000 0.928 190 T CB 0.257 68.614 68.868 -0.853 0.000 1.029 190 T HN 0.638 8.743 8.240 -0.226 0.000 0.554 191 K N 2.516 122.850 120.400 -0.110 0.000 2.280 191 K HA -0.260 4.006 4.320 -0.089 0.000 0.202 191 K C 1.036 177.598 176.600 -0.063 0.000 1.047 191 K CA 2.635 58.879 56.287 -0.072 0.000 0.942 191 K CB -0.183 32.301 32.500 -0.026 0.000 0.739 191 K HN -0.657 7.478 8.250 -0.080 0.068 0.457 192 Q N -4.207 115.565 119.800 -0.046 0.000 2.219 192 Q HA 0.149 4.430 4.340 -0.098 0.000 0.209 192 Q C -0.266 175.511 176.000 -0.372 0.000 0.854 192 Q CA -0.826 54.917 55.803 -0.099 0.000 0.960 192 Q CB -0.020 28.776 28.738 0.096 0.000 1.116 192 Q HN -0.199 8.036 8.270 -0.012 0.028 0.500 193 G N -2.212 106.436 108.800 -0.254 0.000 2.179 193 G HA2 -0.449 3.332 3.960 -0.298 0.000 0.260 193 G HA3 -0.449 3.443 3.960 -0.114 0.000 0.260 193 G C -1.370 173.512 174.900 -0.030 0.000 0.977 193 G CA 0.649 45.619 45.100 -0.216 0.000 0.641 193 G HN -0.222 7.765 8.290 -0.185 0.193 0.533 194 F N -2.241 117.853 119.950 0.240 0.000 2.457 194 F HA 0.276 5.044 4.527 0.401 0.000 0.330 194 F C 0.791 176.832 175.800 0.403 0.000 1.069 194 F CA -1.932 56.282 58.000 0.357 0.000 1.009 194 F CB 2.001 41.195 39.000 0.323 0.000 1.276 194 F HN -0.822 7.452 8.300 0.063 0.063 0.492 195 W N 0.790 122.557 121.300 0.777 0.000 1.836 195 W HA -0.011 5.077 4.660 0.714 0.000 0.449 195 W C -1.290 175.575 176.519 0.576 0.000 0.787 195 W CA -0.734 57.006 57.345 0.659 0.000 1.729 195 W CB -1.213 28.603 29.460 0.593 0.000 1.802 195 W HN 0.790 9.582 8.180 1.020 0.000 0.257 196 E N 3.703 124.278 120.200 0.624 0.000 2.197 196 E HA 0.709 5.577 4.350 0.558 -0.184 0.281 196 E C -0.980 175.935 176.600 0.525 0.000 0.995 196 E CA -1.331 55.382 56.400 0.521 0.000 0.808 196 E CB 2.907 32.831 29.700 0.372 0.000 1.093 196 E HN -0.320 8.305 8.360 0.506 0.039 0.394 197 W N 3.235 124.659 121.300 0.206 0.000 3.018 197 W HA 0.630 5.478 4.660 0.144 -0.101 0.352 197 W C -2.389 174.204 176.519 0.124 0.000 1.230 197 W CA -1.882 55.554 57.345 0.152 0.000 1.162 197 W CB 2.808 32.358 29.460 0.149 0.000 1.483 197 W HN 0.869 9.242 8.180 0.322 0.000 0.584 198 T N 1.812 116.411 114.554 0.076 0.000 2.833 198 T HA 0.358 4.701 4.350 -0.307 -0.178 0.297 198 T C -0.494 174.115 174.700 -0.152 0.000 1.015 198 T CA -0.580 61.436 62.100 -0.140 0.000 0.963 198 T CB 1.162 70.040 68.868 0.017 0.000 0.955 198 T HN 0.307 8.756 8.240 0.348 0.000 0.449 199 S N 6.319 121.685 115.700 -0.557 0.000 2.572 199 S HA -0.029 4.565 4.470 0.038 -0.101 0.279 199 S C 1.718 176.355 174.600 0.062 0.000 1.341 199 S CA -0.623 57.443 58.200 -0.223 0.000 1.043 199 S CB 1.351 64.389 63.200 -0.270 0.000 0.887 199 S HN 0.143 7.990 8.310 -0.772 0.000 0.516 200 T N 2.561 117.244 114.554 0.215 0.000 3.113 200 T HA -0.046 4.408 4.350 0.173 0.000 0.256 200 T C -0.109 174.753 174.700 0.271 0.000 1.131 200 T CA 0.208 62.456 62.100 0.246 0.000 1.074 200 T CB 0.431 69.464 68.868 0.274 0.000 0.944 200 T HN -0.077 8.330 8.240 0.277 0.000 0.516 201 G N -0.593 108.323 108.800 0.193 0.000 2.339 201 G HA2 -0.000 3.717 3.960 -0.672 0.000 0.275 201 G HA3 -0.000 4.095 3.960 -0.071 -0.178 0.275 201 G C -3.345 171.368 174.900 -0.312 0.000 1.323 201 G CA 0.112 45.067 45.100 -0.243 0.000 0.927 201 G HN -0.784 7.614 8.290 0.261 0.048 0.486 202 Y N -4.345 115.363 120.300 -0.987 0.000 2.638 202 Y HA 0.984 5.468 4.550 -0.386 -0.165 0.335 202 Y C -3.064 172.444 175.900 -0.653 0.000 1.155 202 Y CA -2.277 55.451 58.100 -0.620 0.000 1.046 202 Y CB 2.959 41.180 38.460 -0.398 0.000 1.303 202 Y HN -0.195 7.260 8.280 -1.375 0.000 0.460 203 A N -2.708 119.799 122.820 -0.521 0.000 2.498 203 A HA 0.522 4.630 4.320 -0.538 -0.110 0.298 203 A C -2.570 174.837 177.584 -0.296 0.000 1.075 203 A CA -1.837 49.962 52.037 -0.396 0.000 0.714 203 A CB 3.975 22.884 19.000 -0.152 0.000 1.299 203 A HN 0.458 8.329 8.150 -0.466 0.000 0.407 204 V N 1.970 121.819 119.914 -0.109 0.000 2.370 204 V HA 0.283 4.459 4.120 0.093 0.000 0.283 204 V C 1.424 177.497 176.094 -0.035 0.000 1.023 204 V CA -1.643 60.671 62.300 0.023 0.000 0.857 204 V CB 0.423 32.298 31.823 0.087 0.000 0.985 204 V HN 0.503 8.616 8.190 -0.127 0.000 0.443 205 G N 9.760 118.553 108.800 -0.011 0.000 2.611 205 G HA2 -0.392 3.534 3.960 -0.056 0.000 0.301 205 G HA3 -0.392 3.553 3.960 -0.025 0.000 0.301 205 G C -0.185 174.683 174.900 -0.053 0.000 1.233 205 G CA 0.988 46.064 45.100 -0.039 0.000 0.993 205 G HN 0.303 8.620 8.290 0.046 0.000 0.553 206 S N 4.821 120.489 115.700 -0.054 0.000 2.660 206 S HA 0.038 4.476 4.470 -0.053 0.000 0.227 206 S C 0.465 175.032 174.600 -0.054 0.000 0.948 206 S CA 0.171 58.339 58.200 -0.052 0.000 0.948 206 S CB 0.117 63.290 63.200 -0.045 0.000 0.779 206 S HN 0.181 8.458 8.310 -0.055 0.000 0.487 207 G N 2.372 111.135 108.800 -0.063 0.000 2.525 207 G HA2 0.114 4.030 3.960 -0.073 0.000 0.287 207 G HA3 0.114 4.039 3.960 -0.058 0.000 0.287 207 G C -0.913 173.942 174.900 -0.075 0.000 1.350 207 G CA -0.627 44.433 45.100 -0.067 0.000 1.039 207 G HN -0.512 7.647 8.290 -0.066 0.091 0.513 208 T N -1.843 112.659 114.554 -0.086 0.000 2.910 208 T HA -0.052 4.273 4.350 -0.042 0.000 0.293 208 T C -0.329 174.293 174.700 -0.131 0.000 1.015 208 T CA -0.346 61.709 62.100 -0.076 0.000 1.094 208 T CB 1.183 70.008 68.868 -0.072 0.000 0.968 208 T HN -0.257 7.931 8.240 -0.087 0.000 0.521 209 F N 6.075 125.891 119.950 -0.223 0.000 2.472 209 F HA -0.041 4.465 4.527 -0.368 -0.199 0.364 209 F C -0.367 175.265 175.800 -0.280 0.000 1.090 209 F CA 0.454 58.287 58.000 -0.278 0.000 1.188 209 F CB 0.826 39.709 39.000 -0.195 0.000 1.105 209 F HN 0.263 8.624 8.300 0.101 0.000 0.536 210 K N 9.210 129.087 120.400 -0.871 0.000 2.234 210 K HA 0.243 4.356 4.320 -0.344 0.000 0.277 210 K C -0.003 176.211 176.600 -0.642 0.000 1.038 210 K CA -2.127 53.783 56.287 -0.627 0.000 0.888 210 K CB 0.289 32.383 32.500 -0.676 0.000 1.091 210 K HN 0.389 7.894 8.250 -1.242 0.000 0.467 211 S N 6.337 121.908 115.700 -0.216 0.000 4.069 211 S HA 0.110 4.729 4.470 -0.031 -0.168 0.192 211 S C -0.304 174.280 174.600 -0.026 0.000 1.441 211 S CA -0.954 57.224 58.200 -0.036 0.000 0.994 211 S CB -1.524 61.759 63.200 0.139 0.000 1.456 211 S HN 0.483 8.724 8.310 -0.114 0.000 0.458 212 T N 0.477 114.997 114.554 -0.056 0.000 2.743 212 T HA 0.129 4.490 4.350 0.018 0.000 0.292 212 T C -0.082 174.638 174.700 0.035 0.000 0.972 212 T CA -1.345 60.764 62.100 0.015 0.000 0.967 212 T CB 1.489 70.387 68.868 0.050 0.000 0.926 212 T HN -0.548 7.536 8.240 -0.135 0.075 0.459 213 S N 6.765 122.485 115.700 0.035 0.000 2.549 213 S HA 0.127 4.823 4.470 0.039 -0.203 0.286 213 S C 0.093 174.697 174.600 0.006 0.000 1.314 213 S CA 1.487 59.704 58.200 0.029 0.000 1.062 213 S CB 0.448 63.665 63.200 0.027 0.000 0.865 213 S HN 0.431 8.760 8.310 0.033 0.000 0.498 214 I N 5.612 126.168 120.570 -0.023 0.000 2.448 214 I HA 0.117 4.261 4.170 -0.042 0.000 0.281 214 I C -2.062 173.982 176.117 -0.121 0.000 1.027 214 I CA -0.803 60.467 61.300 -0.051 0.000 1.111 214 I CB 2.261 40.250 38.000 -0.018 0.000 1.236 214 I HN 0.252 8.443 8.210 -0.032 0.000 0.452 215 D N 7.876 128.225 120.400 -0.087 0.000 2.348 215 D HA 0.316 5.052 4.640 -0.147 -0.185 0.253 215 D C -0.437 175.814 176.300 -0.082 0.000 1.161 215 D CA -0.198 53.745 54.000 -0.094 0.000 0.876 215 D CB 1.185 41.972 40.800 -0.021 0.000 1.160 215 D HN 0.259 8.595 8.370 -0.056 0.000 0.459 216 G N 2.184 110.915 108.800 -0.116 0.000 2.663 216 G HA2 0.716 4.749 3.960 0.108 0.000 0.299 216 G HA3 0.716 4.764 3.960 0.020 -0.076 0.299 216 G C -3.016 171.981 174.900 0.162 0.000 1.372 216 G CA -0.069 45.050 45.100 0.033 0.000 0.781 216 G HN 0.339 8.478 8.290 -0.252 0.000 0.491 217 I N -6.040 114.716 120.570 0.309 0.000 2.603 217 I HA 0.882 5.561 4.170 0.573 -0.165 0.300 217 I C -2.159 174.339 176.117 0.635 0.000 1.017 217 I CA -3.027 58.538 61.300 0.442 0.000 1.098 217 I CB 3.823 41.899 38.000 0.127 0.000 1.279 217 I HN 0.018 8.374 8.210 0.243 0.000 0.437 218 A N 3.626 126.874 122.820 0.713 0.000 2.343 218 A HA 0.135 4.957 4.320 0.610 -0.137 0.305 218 A C -1.156 176.726 177.584 0.497 0.000 1.308 218 A CA -0.811 51.572 52.037 0.576 0.000 0.949 218 A CB 0.445 19.642 19.000 0.328 0.000 1.148 218 A HN 0.130 8.743 8.150 0.772 0.000 0.545 219 D N 6.412 127.045 120.400 0.389 0.000 2.389 219 D HA 0.391 5.224 4.640 0.322 0.000 0.256 219 D C 1.416 177.864 176.300 0.248 0.000 1.239 219 D CA -1.483 52.698 54.000 0.301 0.000 0.925 219 D CB 1.785 42.721 40.800 0.227 0.000 1.145 219 D HN -0.203 8.401 8.370 0.391 0.000 0.542 220 T N 2.719 117.407 114.554 0.222 0.000 2.977 220 T HA 0.009 4.589 4.350 0.176 -0.124 0.271 220 T C 1.355 176.173 174.700 0.197 0.000 1.105 220 T CA 2.344 64.558 62.100 0.191 0.000 1.116 220 T CB -0.000 68.988 68.868 0.200 0.000 0.878 220 T HN 0.155 8.526 8.240 0.218 0.000 0.509 221 G N 1.353 110.266 108.800 0.187 0.000 3.088 221 G HA2 0.081 4.313 3.960 0.151 0.000 0.212 221 G HA3 0.081 4.142 3.960 0.169 0.000 0.212 221 G C -0.719 174.276 174.900 0.158 0.000 1.173 221 G CA -0.274 44.926 45.100 0.166 0.000 0.779 221 G HN -0.557 8.043 8.290 0.191 -0.195 0.540 222 T N 2.789 117.448 114.554 0.175 0.000 2.807 222 T HA 0.325 4.769 4.350 0.157 0.000 0.279 222 T C -0.192 174.609 174.700 0.170 0.000 0.993 222 T CA -0.663 61.541 62.100 0.174 0.000 0.970 222 T CB 2.687 71.670 68.868 0.191 0.000 0.950 222 T HN -0.740 7.541 8.240 0.186 0.070 0.441 223 T N 7.541 122.176 114.554 0.135 0.000 2.737 223 T HA -0.179 4.409 4.350 0.138 -0.154 0.265 223 T C -0.312 174.377 174.700 -0.019 0.000 1.038 223 T CA 3.988 66.130 62.100 0.070 0.000 1.144 223 T CB 0.382 69.227 68.868 -0.038 0.000 0.866 223 T HN 0.401 8.724 8.240 0.138 0.000 0.434 224 L N -3.462 117.704 121.223 -0.096 0.000 2.376 224 L HA 0.158 4.335 4.340 -0.272 0.000 0.267 224 L C -1.496 175.172 176.870 -0.336 0.000 1.035 224 L CA -1.269 53.375 54.840 -0.326 0.000 0.800 224 L CB 2.169 43.861 42.059 -0.612 0.000 1.290 224 L HN -0.873 7.369 8.230 0.021 0.000 0.462 225 L N -0.387 120.556 121.223 -0.467 0.000 2.255 225 L HA 0.414 4.702 4.340 -0.348 -0.157 0.289 225 L C -2.029 174.457 176.870 -0.639 0.000 1.046 225 L CA -1.540 53.020 54.840 -0.467 0.000 0.816 225 L CB 1.052 42.839 42.059 -0.453 0.000 1.197 225 L HN -0.154 7.794 8.230 -0.470 0.000 0.427 226 Y N 6.562 126.667 120.300 -0.325 0.000 2.342 226 Y HA 0.792 5.461 4.550 -0.228 -0.256 0.338 226 Y C -0.557 175.119 175.900 -0.373 0.000 0.965 226 Y CA -1.426 56.511 58.100 -0.271 0.000 1.159 226 Y CB 1.081 39.438 38.460 -0.171 0.000 1.157 226 Y HN 0.374 8.524 8.280 -0.217 0.000 0.486 227 L N 1.932 123.016 121.223 -0.231 0.000 2.303 227 L HA 0.543 4.688 4.340 -0.324 0.000 0.256 227 L C -1.962 174.804 176.870 -0.174 0.000 1.034 227 L CA -3.093 51.567 54.840 -0.299 0.000 0.832 227 L CB 2.465 44.256 42.059 -0.447 0.000 1.403 227 L HN 0.415 8.532 8.230 -0.188 0.000 0.419 228 P HA 0.086 4.468 4.420 -0.064 0.000 0.267 228 P C 0.397 177.654 177.300 -0.071 0.000 1.200 228 P CA -0.038 63.006 63.100 -0.094 0.000 0.772 228 P CB 0.392 32.038 31.700 -0.090 0.000 0.855 229 A N 3.306 126.119 122.820 -0.013 0.000 1.917 229 A HA -0.406 3.952 4.320 0.063 0.000 0.219 229 A C 2.483 180.082 177.584 0.024 0.000 1.182 229 A CA 3.900 55.958 52.037 0.035 0.000 0.633 229 A CB -0.749 18.284 19.000 0.055 0.000 0.819 229 A HN 0.664 8.809 8.150 -0.008 0.000 0.448 230 T N -1.862 112.692 114.554 -0.000 0.000 2.867 230 T HA -0.294 4.077 4.350 0.036 0.000 0.268 230 T C 1.694 176.376 174.700 -0.029 0.000 1.057 230 T CA 3.484 65.590 62.100 0.010 0.000 1.136 230 T CB -0.203 68.677 68.868 0.021 0.000 0.874 230 T HN 0.049 8.267 8.240 -0.008 0.017 0.466 231 V N 1.668 121.498 119.914 -0.140 0.000 2.307 231 V HA -0.365 3.509 4.120 -0.410 0.000 0.245 231 V C 1.660 177.618 176.094 -0.227 0.000 1.045 231 V CA 3.685 65.770 62.300 -0.358 0.000 1.024 231 V CB -0.612 30.863 31.823 -0.580 0.000 0.651 231 V HN -0.585 7.505 8.190 -0.133 0.020 0.449 232 V N 0.141 119.947 119.914 -0.179 0.000 2.343 232 V HA -0.454 3.514 4.120 -0.253 0.000 0.247 232 V C 2.200 178.245 176.094 -0.082 0.000 1.051 232 V CA 4.366 66.572 62.300 -0.156 0.000 1.036 232 V CB -1.206 30.569 31.823 -0.080 0.000 0.654 232 V HN -0.088 8.004 8.190 -0.163 0.000 0.451 233 S N -0.088 115.617 115.700 0.009 0.000 2.370 233 S HA -0.369 4.158 4.470 0.095 0.000 0.226 233 S C 1.614 176.243 174.600 0.047 0.000 1.033 233 S CA 3.467 61.712 58.200 0.074 0.000 1.011 233 S CB -0.375 62.900 63.200 0.125 0.000 0.852 233 S HN -0.123 8.202 8.310 0.025 0.000 0.457 234 A N 0.980 123.824 122.820 0.042 0.000 1.933 234 A HA -0.228 4.126 4.320 0.056 0.000 0.218 234 A C 1.528 179.123 177.584 0.017 0.000 1.175 234 A CA 2.695 54.772 52.037 0.067 0.000 0.628 234 A CB -0.844 18.256 19.000 0.167 0.000 0.814 234 A HN -0.663 7.505 8.150 0.031 0.000 0.444 235 Y N -0.715 119.498 120.300 -0.144 0.000 2.089 235 Y HA -0.348 4.097 4.550 -0.175 0.000 0.282 235 Y C 2.067 177.722 175.900 -0.408 0.000 1.139 235 Y CA 3.873 61.782 58.100 -0.317 0.000 1.123 235 Y CB 0.294 38.416 38.460 -0.564 0.000 0.980 235 Y HN -0.745 7.564 8.280 0.049 0.000 0.493 236 W N -2.900 118.257 121.300 -0.239 0.000 2.595 236 W HA -0.291 4.143 4.660 -0.376 0.000 0.257 236 W C 2.211 178.616 176.519 -0.189 0.000 1.267 236 W CA 1.885 59.053 57.345 -0.295 0.000 1.300 236 W CB -0.379 28.846 29.460 -0.392 0.000 1.120 236 W HN -0.262 7.797 8.180 -0.203 0.000 0.618 237 A N -1.244 121.589 122.820 0.021 0.000 2.076 237 A HA -0.261 4.100 4.320 0.068 0.000 0.220 237 A C 0.849 178.406 177.584 -0.045 0.000 1.160 237 A CA 2.412 54.460 52.037 0.018 0.000 0.653 237 A CB -0.819 18.192 19.000 0.017 0.000 0.801 237 A HN -0.449 7.672 8.150 0.001 0.029 0.455 238 Q N -4.869 114.832 119.800 -0.166 0.000 2.280 238 Q HA 0.080 4.350 4.340 -0.118 0.000 0.202 238 Q C -0.536 175.356 176.000 -0.180 0.000 0.903 238 Q CA -0.756 54.931 55.803 -0.193 0.000 0.948 238 Q CB 0.380 28.950 28.738 -0.281 0.000 1.058 238 Q HN -0.559 7.406 8.270 -0.252 0.154 0.493 239 V N 2.093 121.952 119.914 -0.091 0.000 2.380 239 V HA 0.234 4.342 4.120 -0.020 0.000 0.286 239 V C 0.311 176.467 176.094 0.104 0.000 1.015 239 V CA -1.854 60.455 62.300 0.015 0.000 0.834 239 V CB 0.706 32.600 31.823 0.120 0.000 1.009 239 V HN -0.504 7.478 8.190 -0.050 0.178 0.428 240 S N 8.361 124.111 115.700 0.082 0.000 2.423 240 S HA -0.167 4.346 4.470 0.071 0.000 0.231 240 S C 1.042 175.707 174.600 0.108 0.000 1.014 240 S CA 2.380 60.629 58.200 0.081 0.000 0.965 240 S CB -0.100 63.135 63.200 0.059 0.000 0.785 240 S HN 0.509 8.860 8.310 0.067 0.000 0.495 241 G N 0.725 109.614 108.800 0.147 0.000 3.042 241 G HA2 -0.017 4.037 3.960 0.156 0.000 0.212 241 G HA3 -0.017 4.010 3.960 0.111 0.000 0.212 241 G C -1.445 173.559 174.900 0.173 0.000 1.166 241 G CA -0.873 44.316 45.100 0.148 0.000 0.767 241 G HN -0.153 8.216 8.290 0.167 0.021 0.546 242 A N 1.914 124.866 122.820 0.220 0.000 2.354 242 A HA 0.582 5.233 4.320 0.197 -0.214 0.269 242 A C -1.452 176.223 177.584 0.152 0.000 1.109 242 A CA -0.113 52.050 52.037 0.210 0.000 0.800 242 A CB 1.006 20.194 19.000 0.314 0.000 1.045 242 A HN -0.680 7.439 8.150 0.224 0.166 0.489 243 K N 1.415 121.861 120.400 0.077 0.000 2.556 243 K HA 0.289 4.673 4.320 0.107 0.000 0.274 243 K C -2.196 174.303 176.600 -0.168 0.000 0.966 243 K CA -1.608 54.695 56.287 0.027 0.000 0.865 243 K CB 2.417 34.918 32.500 0.001 0.000 1.444 243 K HN 0.308 8.575 8.250 0.029 0.000 0.433 244 S N 0.284 115.758 115.700 -0.375 0.000 2.545 244 S HA -0.012 4.088 4.470 -0.820 -0.122 0.275 244 S C -0.652 173.776 174.600 -0.287 0.000 1.299 244 S CA -0.678 57.137 58.200 -0.642 0.000 1.048 244 S CB 0.489 63.194 63.200 -0.825 0.000 0.938 244 S HN 0.243 8.396 8.310 -0.261 0.000 0.496 245 S N 6.458 122.026 115.700 -0.220 0.000 2.498 245 S HA 0.239 4.656 4.470 -0.087 0.000 0.324 245 S C 0.490 175.048 174.600 -0.069 0.000 1.071 245 S CA -2.086 56.056 58.200 -0.096 0.000 1.113 245 S CB 0.999 64.178 63.200 -0.035 0.000 0.976 245 S HN 0.121 8.273 8.310 -0.264 0.000 0.462 246 S N 9.675 125.339 115.700 -0.060 0.000 2.359 246 S HA -0.254 4.190 4.470 -0.043 0.000 0.224 246 S C 1.602 176.194 174.600 -0.014 0.000 1.035 246 S CA 3.034 61.211 58.200 -0.038 0.000 1.018 246 S CB -0.145 63.035 63.200 -0.034 0.000 0.876 246 S HN 0.692 8.964 8.310 -0.063 0.000 0.448 247 S N 0.623 116.316 115.700 -0.011 0.000 2.387 247 S HA -0.107 4.360 4.470 -0.005 0.000 0.226 247 S C 1.645 176.248 174.600 0.006 0.000 1.026 247 S CA 2.335 60.532 58.200 -0.004 0.000 0.972 247 S CB 0.071 63.266 63.200 -0.008 0.000 0.814 247 S HN -0.318 7.981 8.310 -0.017 0.000 0.477 248 V N 0.722 120.650 119.914 0.023 0.000 2.719 248 V HA -0.133 3.991 4.120 0.008 0.000 0.252 248 V C 0.948 177.092 176.094 0.083 0.000 1.065 248 V CA 1.300 63.627 62.300 0.046 0.000 1.086 248 V CB 0.301 32.184 31.823 0.100 0.000 0.700 248 V HN -0.443 7.759 8.190 0.020 0.000 0.467 249 G N -1.144 107.723 108.800 0.112 0.000 2.145 249 G HA2 -0.229 3.811 3.960 0.132 0.000 0.176 249 G HA3 -0.229 3.784 3.960 0.088 0.000 0.176 249 G C -1.184 173.881 174.900 0.276 0.000 1.013 249 G CA -0.072 45.116 45.100 0.146 0.000 0.689 249 G HN -0.047 8.288 8.290 0.076 0.000 0.506 250 G N -3.151 105.766 108.800 0.196 0.000 2.327 250 G HA2 0.088 4.167 3.960 0.053 0.000 0.291 250 G HA3 0.088 4.001 3.960 -0.078 0.000 0.291 250 G C -2.075 172.668 174.900 -0.261 0.000 1.290 250 G CA -0.061 45.036 45.100 -0.003 0.000 0.857 250 G HN -0.762 7.610 8.290 0.137 0.000 0.520 251 Y N 0.669 120.700 120.300 -0.449 0.000 2.526 251 Y HA 0.147 4.618 4.550 -0.465 -0.200 0.330 251 Y C 0.316 175.836 175.900 -0.633 0.000 1.156 251 Y CA 1.999 59.708 58.100 -0.651 0.000 1.419 251 Y CB 0.510 38.221 38.460 -1.249 0.000 1.250 251 Y HN -0.227 8.234 8.280 -0.211 -0.307 0.540 252 V N -2.327 117.443 119.914 -0.239 0.000 2.914 252 V HA 1.161 5.391 4.120 -0.088 -0.163 0.314 252 V C -1.776 174.312 176.094 -0.011 0.000 1.084 252 V CA -3.411 58.828 62.300 -0.101 0.000 0.963 252 V CB 3.539 35.347 31.823 -0.026 0.000 1.025 252 V HN 0.437 8.498 8.190 -0.215 0.000 0.432 253 F N -2.454 117.447 119.950 -0.081 0.000 2.711 253 F HA 0.698 5.225 4.527 0.000 0.000 0.313 253 F C -3.235 172.600 175.800 0.059 0.000 1.141 253 F CA -3.120 54.881 58.000 0.002 0.000 0.941 253 F CB 0.712 39.753 39.000 0.068 0.000 1.349 253 F HN 0.456 8.517 8.300 -0.398 0.000 0.464 254 P HA 0.318 4.833 4.420 -0.096 -0.152 0.271 254 P C 0.489 177.754 177.300 -0.058 0.000 1.226 254 P CA -0.699 62.388 63.100 -0.022 0.000 0.765 254 P CB -0.282 31.480 31.700 0.102 0.000 0.835 255 c N 4.755 123.255 118.600 -0.165 0.000 2.410 255 c HA -0.281 4.216 4.570 -0.122 0.000 0.281 255 c C 1.066 175.235 174.090 0.133 0.000 1.318 255 c CA 2.415 58.709 56.329 -0.057 0.000 1.776 255 c CB -1.240 41.234 42.510 -0.061 0.000 1.942 255 c HN 0.288 8.413 8.230 -0.174 0.000 0.508 256 S N -1.736 114.033 115.700 0.114 0.000 2.555 256 S HA -0.189 4.350 4.470 0.116 0.000 0.230 256 S C -0.033 174.670 174.600 0.173 0.000 0.978 256 S CA 0.520 58.796 58.200 0.126 0.000 0.934 256 S CB -0.018 63.231 63.200 0.083 0.000 0.766 256 S HN 0.011 8.331 8.310 0.078 0.036 0.533 257 A N 2.260 125.239 122.820 0.265 0.000 2.483 257 A HA -0.111 4.321 4.320 0.187 0.000 0.238 257 A C -0.156 177.551 177.584 0.205 0.000 1.070 257 A CA 0.193 52.384 52.037 0.255 0.000 0.770 257 A CB 0.270 19.496 19.000 0.377 0.000 1.008 257 A HN -0.544 7.735 8.150 0.319 0.062 0.497 258 T N 4.641 119.270 114.554 0.125 0.000 2.811 258 T HA 0.060 4.479 4.350 0.115 0.000 0.309 258 T C -0.430 174.298 174.700 0.047 0.000 1.005 258 T CA 0.088 62.243 62.100 0.092 0.000 0.955 258 T CB -0.575 68.332 68.868 0.065 0.000 0.970 258 T HN 0.028 8.332 8.240 0.107 0.000 0.496 259 L N 7.202 128.448 121.223 0.038 0.000 2.439 259 L HA 0.305 4.588 4.340 -0.095 0.000 0.269 259 L C -0.637 176.213 176.870 -0.032 0.000 1.179 259 L CA -2.080 52.736 54.840 -0.039 0.000 0.828 259 L CB -0.673 41.363 42.059 -0.037 0.000 1.106 259 L HN 0.143 8.419 8.230 0.077 0.000 0.467 260 P HA 0.217 4.611 4.420 -0.043 0.000 0.274 260 P C -0.658 176.690 177.300 0.079 0.000 1.237 260 P CA -0.565 62.503 63.100 -0.053 0.000 0.793 260 P CB 0.543 32.142 31.700 -0.168 0.000 0.977 261 S N -0.345 115.386 115.700 0.052 0.000 2.596 261 S HA 0.111 4.782 4.470 0.054 -0.169 0.260 261 S C -0.808 173.915 174.600 0.206 0.000 1.336 261 S CA 0.471 58.713 58.200 0.070 0.000 0.993 261 S CB 1.029 64.219 63.200 -0.018 0.000 0.923 261 S HN 0.037 8.353 8.310 0.010 0.000 0.567 262 F N 1.099 121.047 119.950 -0.004 0.000 2.539 262 F HA 0.557 5.271 4.527 0.089 -0.133 0.318 262 F C -1.766 174.067 175.800 0.055 0.000 1.135 262 F CA -1.122 56.889 58.000 0.019 0.000 0.915 262 F CB 4.152 43.050 39.000 -0.171 0.000 1.176 262 F HN 0.097 8.493 8.300 0.160 0.000 0.440 263 T N 10.043 124.368 114.554 -0.382 0.000 2.797 263 T HA 0.864 5.357 4.350 -0.102 -0.205 0.279 263 T C -0.983 173.638 174.700 -0.132 0.000 0.991 263 T CA -0.702 61.283 62.100 -0.191 0.000 0.979 263 T CB 1.504 70.291 68.868 -0.136 0.000 0.943 263 T HN 0.488 8.359 8.240 -0.615 0.000 0.444 264 F N 3.264 123.246 119.950 0.054 0.000 2.538 264 F HA 0.810 5.583 4.527 0.167 -0.146 0.325 264 F C -1.695 174.221 175.800 0.193 0.000 1.066 264 F CA -3.415 54.700 58.000 0.191 0.000 0.946 264 F CB 2.634 41.869 39.000 0.391 0.000 1.199 264 F HN 0.426 8.619 8.300 -0.178 0.000 0.473 265 G N -0.908 108.196 108.800 0.507 0.000 2.377 265 G HA2 0.402 4.661 3.960 0.499 0.000 0.299 265 G HA3 0.402 4.617 3.960 0.140 -0.171 0.299 265 G C -1.698 173.383 174.900 0.301 0.000 1.150 265 G CA -1.225 44.083 45.100 0.347 0.000 0.847 265 G HN 0.454 9.090 8.290 0.576 0.000 0.501 266 V N 5.715 125.687 119.914 0.097 0.000 2.340 266 V HA 0.264 4.550 4.120 0.277 0.000 0.277 266 V C 0.231 176.362 176.094 0.062 0.000 1.017 266 V CA -1.833 60.523 62.300 0.094 0.000 0.820 266 V CB 0.271 32.007 31.823 -0.145 0.000 1.028 266 V HN -0.068 8.117 8.190 -0.009 0.000 0.436 267 G N 6.538 115.413 108.800 0.125 0.000 2.611 267 G HA2 -0.450 3.542 3.960 0.053 0.000 0.301 267 G HA3 -0.450 3.564 3.960 0.090 0.000 0.301 267 G C 1.106 176.007 174.900 0.002 0.000 1.233 267 G CA 1.258 46.400 45.100 0.069 0.000 0.993 267 G HN 0.287 8.694 8.290 0.194 0.000 0.553 268 S N 3.100 118.776 115.700 -0.041 0.000 2.561 268 S HA 0.026 4.412 4.470 -0.140 0.000 0.225 268 S C -0.054 174.450 174.600 -0.160 0.000 0.977 268 S CA 1.250 59.385 58.200 -0.109 0.000 0.926 268 S CB -0.136 63.015 63.200 -0.083 0.000 0.769 268 S HN 0.211 8.508 8.310 -0.022 0.000 0.533 269 A N 1.573 124.315 122.820 -0.130 0.000 2.287 269 A HA 0.042 4.265 4.320 -0.161 0.000 0.273 269 A C -2.263 175.197 177.584 -0.206 0.000 1.091 269 A CA 0.098 52.041 52.037 -0.157 0.000 0.817 269 A CB 1.268 20.189 19.000 -0.131 0.000 1.069 269 A HN -0.266 7.764 8.150 -0.092 0.066 0.492 270 R N -1.753 118.606 120.500 -0.234 0.000 2.574 270 R HA 0.582 4.925 4.340 -0.270 -0.165 0.288 270 R C -1.785 174.305 176.300 -0.349 0.000 1.004 270 R CA -1.650 54.285 56.100 -0.276 0.000 0.895 270 R CB 2.431 32.585 30.300 -0.243 0.000 1.191 270 R HN 0.210 8.353 8.270 -0.212 0.000 0.444 271 I N 4.135 124.356 120.570 -0.582 0.000 2.362 271 I HA 0.221 4.139 4.170 -0.421 0.000 0.289 271 I C -1.439 174.376 176.117 -0.504 0.000 0.994 271 I CA -2.823 58.081 61.300 -0.661 0.000 1.158 271 I CB 1.468 38.775 38.000 -1.155 0.000 1.315 271 I HN 0.378 8.174 8.210 -0.689 0.000 0.451 272 V N 7.014 126.764 119.914 -0.272 0.000 2.350 272 V HA 0.091 4.125 4.120 -0.144 0.000 0.276 272 V C -0.508 175.499 176.094 -0.146 0.000 1.028 272 V CA -1.188 61.009 62.300 -0.171 0.000 0.860 272 V CB 0.350 32.084 31.823 -0.150 0.000 0.990 272 V HN 0.389 8.433 8.190 -0.244 0.000 0.453 273 I N 8.528 129.067 120.570 -0.051 0.000 2.322 273 I HA 0.253 4.290 4.170 -0.222 0.000 0.292 273 I C -2.228 173.744 176.117 -0.243 0.000 1.060 273 I CA -2.258 58.975 61.300 -0.111 0.000 1.309 273 I CB 0.250 38.314 38.000 0.106 0.000 1.415 273 I HN 0.628 8.857 8.210 0.031 0.000 0.492 274 P HA -0.060 4.210 4.420 -0.251 0.000 0.267 274 P C 0.788 177.966 177.300 -0.203 0.000 1.200 274 P CA 0.378 63.240 63.100 -0.397 0.000 0.772 274 P CB 0.287 31.622 31.700 -0.609 0.000 0.855 275 G N 1.163 109.923 108.800 -0.065 0.000 2.469 275 G HA2 -0.474 3.709 3.960 0.031 0.000 0.219 275 G HA3 -0.474 3.645 3.960 0.039 -0.136 0.219 275 G C 0.707 175.657 174.900 0.083 0.000 1.150 275 G CA 2.541 47.654 45.100 0.022 0.000 0.763 275 G HN 0.703 8.953 8.290 -0.067 0.000 0.561 276 D N 0.505 120.968 120.400 0.105 0.000 2.348 276 D HA -0.239 4.557 4.640 0.260 0.000 0.216 276 D C 1.425 177.925 176.300 0.332 0.000 0.970 276 D CA 1.206 55.351 54.000 0.242 0.000 0.889 276 D CB -1.838 39.131 40.800 0.281 0.000 0.912 276 D HN 0.216 8.602 8.370 0.050 0.014 0.524 277 Y N -1.092 119.140 120.300 -0.113 0.000 2.352 277 Y HA -0.198 4.377 4.550 0.042 0.000 0.292 277 Y C 1.313 177.299 175.900 0.143 0.000 1.136 277 Y CA 0.936 59.012 58.100 -0.039 0.000 1.227 277 Y CB -0.536 37.842 38.460 -0.137 0.000 0.991 277 Y HN -0.653 7.731 8.280 0.230 0.034 0.545 278 I N -4.474 116.241 120.570 0.241 0.000 3.578 278 I HA -0.165 4.076 4.170 0.119 0.000 0.295 278 I C -0.894 175.412 176.117 0.316 0.000 1.280 278 I CA 0.965 62.349 61.300 0.139 0.000 1.347 278 I CB 0.037 37.962 38.000 -0.126 0.000 1.051 278 I HN -0.757 7.418 8.210 0.205 0.158 0.460 279 D N 0.452 121.103 120.400 0.419 0.000 2.402 279 D HA -0.055 5.074 4.640 0.815 0.000 0.235 279 D C -0.106 176.552 176.300 0.596 0.000 1.226 279 D CA -0.370 54.003 54.000 0.621 0.000 0.918 279 D CB -0.452 40.704 40.800 0.593 0.000 1.043 279 D HN -0.838 7.609 8.370 0.380 0.151 0.506 280 F N 7.812 128.018 119.950 0.427 0.000 2.146 280 F HA -0.308 4.402 4.527 0.306 0.000 0.298 280 F C -1.041 174.933 175.800 0.289 0.000 1.096 280 F CA 1.579 59.781 58.000 0.338 0.000 1.275 280 F CB 1.345 40.563 39.000 0.364 0.000 1.008 280 F HN -0.568 8.187 8.300 0.758 0.000 0.480 281 G N -5.899 103.000 108.800 0.164 0.000 2.369 281 G HA2 -0.116 3.757 3.960 -0.144 0.000 0.293 281 G HA3 -0.116 3.969 3.960 0.066 -0.086 0.293 281 G C -3.377 171.507 174.900 -0.028 0.000 1.301 281 G CA -0.751 44.344 45.100 -0.009 0.000 0.913 281 G HN -1.042 7.473 8.290 0.352 -0.014 0.540 282 P HA 0.220 4.756 4.420 -0.081 -0.165 0.269 282 P C -0.059 177.202 177.300 -0.065 0.000 1.209 282 P CA -0.384 62.672 63.100 -0.073 0.000 0.776 282 P CB 0.638 32.294 31.700 -0.074 0.000 0.876 283 I N -1.742 118.803 120.570 -0.043 0.000 2.361 283 I HA -0.237 3.916 4.170 -0.029 0.000 0.251 283 I C 0.368 176.448 176.117 -0.062 0.000 1.133 283 I CA 2.178 63.457 61.300 -0.035 0.000 1.413 283 I CB 0.357 38.350 38.000 -0.012 0.000 1.073 283 I HN 0.295 8.476 8.210 -0.050 0.000 0.424 284 S N -2.769 112.895 115.700 -0.060 0.000 2.570 284 S HA 0.239 4.668 4.470 -0.069 0.000 0.270 284 S C -1.476 173.088 174.600 -0.060 0.000 1.149 284 S CA -1.137 57.026 58.200 -0.061 0.000 0.837 284 S CB 1.770 64.941 63.200 -0.049 0.000 1.124 284 S HN -0.649 7.611 8.310 -0.057 0.015 0.465 285 T N 5.746 120.264 114.554 -0.059 0.000 2.866 285 T HA -0.146 4.167 4.350 -0.063 0.000 0.293 285 T C 0.712 175.384 174.700 -0.046 0.000 1.005 285 T CA 2.828 64.894 62.100 -0.056 0.000 1.162 285 T CB 0.002 68.838 68.868 -0.052 0.000 0.968 285 T HN 0.250 8.454 8.240 -0.059 0.000 0.530 286 G N 6.208 114.981 108.800 -0.044 0.000 2.176 286 G HA2 -0.360 3.580 3.960 -0.033 0.000 0.253 286 G HA3 -0.360 3.580 3.960 -0.034 0.000 0.253 286 G C -0.419 174.460 174.900 -0.036 0.000 0.979 286 G CA -0.192 44.887 45.100 -0.036 0.000 0.641 286 G HN 0.293 8.554 8.290 -0.048 0.000 0.530 287 S N 1.136 116.811 115.700 -0.043 0.000 2.579 287 S HA -0.001 4.446 4.470 -0.038 0.000 0.275 287 S C 0.638 175.209 174.600 -0.049 0.000 1.345 287 S CA 0.197 58.370 58.200 -0.045 0.000 1.031 287 S CB 1.034 64.203 63.200 -0.051 0.000 0.892 287 S HN -0.440 7.770 8.310 -0.047 0.072 0.529 288 S N 4.048 119.721 115.700 -0.046 0.000 2.461 288 S HA -0.073 4.373 4.470 -0.041 0.000 0.228 288 S C -0.076 174.472 174.600 -0.086 0.000 1.005 288 S CA 1.874 60.044 58.200 -0.048 0.000 0.942 288 S CB 0.359 63.541 63.200 -0.031 0.000 0.776 288 S HN 0.353 8.639 8.310 -0.040 0.000 0.514 289 S N 1.806 117.442 115.700 -0.106 0.000 2.489 289 S HA 0.337 4.830 4.470 -0.215 -0.151 0.291 289 S C -1.330 173.143 174.600 -0.212 0.000 1.151 289 S CA -0.208 57.894 58.200 -0.164 0.000 1.082 289 S CB 1.361 64.502 63.200 -0.097 0.000 1.019 289 S HN -0.809 7.399 8.310 -0.082 0.053 0.492 290 c N 3.038 121.383 118.600 -0.426 0.000 2.614 290 c HA 0.521 5.119 4.570 -0.168 -0.128 0.320 290 c C -1.280 172.684 174.090 -0.210 0.000 1.200 290 c CA -0.224 55.862 56.329 -0.404 0.000 1.700 290 c CB 3.215 45.310 42.510 -0.691 0.000 2.275 290 c HN 0.734 8.608 8.230 -0.594 0.000 0.492 291 F N 3.611 123.561 119.950 -0.001 0.000 2.394 291 F HA 0.266 4.857 4.527 0.107 0.000 0.340 291 F C -0.496 175.582 175.800 0.463 0.000 1.105 291 F CA -0.936 57.182 58.000 0.197 0.000 1.124 291 F CB 2.974 42.150 39.000 0.293 0.000 1.145 291 F HN 0.366 8.840 8.300 0.292 0.000 0.505 292 G N 3.666 112.410 108.800 -0.094 0.000 2.483 292 G HA2 -0.039 3.961 3.960 0.066 0.000 0.248 292 G HA3 -0.039 4.437 3.960 0.673 -0.112 0.248 292 G C -0.737 174.234 174.900 0.119 0.000 1.248 292 G CA -0.497 44.737 45.100 0.223 0.000 0.838 292 G HN 0.021 7.972 8.290 -0.566 0.000 0.566 293 G N 0.376 109.331 108.800 0.258 0.000 2.880 293 G HA2 0.141 4.150 3.960 0.082 0.000 0.209 293 G HA3 0.141 4.081 3.960 -0.033 0.000 0.209 293 G C -1.096 173.680 174.900 -0.207 0.000 1.157 293 G CA -0.208 44.907 45.100 0.026 0.000 0.779 293 G HN 0.155 8.676 8.290 0.385 0.000 0.539 294 I N 0.132 120.597 120.570 -0.176 0.000 2.362 294 I HA 0.761 4.844 4.170 -0.502 -0.214 0.289 294 I C -1.765 174.283 176.117 -0.115 0.000 0.994 294 I CA -1.032 60.041 61.300 -0.378 0.000 1.158 294 I CB 1.417 38.947 38.000 -0.784 0.000 1.315 294 I HN -0.459 7.740 8.210 0.061 0.048 0.451 295 Q N 6.560 126.200 119.800 -0.266 0.000 2.456 295 Q HA 0.362 4.768 4.340 0.111 0.000 0.283 295 Q C -1.845 174.171 176.000 0.027 0.000 1.084 295 Q CA -2.644 53.123 55.803 -0.059 0.000 0.801 295 Q CB 4.523 33.198 28.738 -0.105 0.000 1.434 295 Q HN 0.522 8.527 8.270 -0.442 0.000 0.419 296 S N 0.534 116.339 115.700 0.174 0.000 2.549 296 S HA 0.035 4.734 4.470 0.075 -0.184 0.283 296 S C 1.509 176.224 174.600 0.191 0.000 1.320 296 S CA 0.307 58.594 58.200 0.145 0.000 1.058 296 S CB 0.430 63.727 63.200 0.163 0.000 0.882 296 S HN 0.363 8.821 8.310 0.245 0.000 0.498 297 S N 6.702 122.461 115.700 0.099 0.000 2.593 297 S HA 0.076 4.585 4.470 0.066 0.000 0.217 297 S C 1.093 175.696 174.600 0.004 0.000 0.966 297 S CA 0.808 59.037 58.200 0.049 0.000 0.914 297 S CB 0.291 63.485 63.200 -0.010 0.000 0.776 297 S HN 0.530 8.866 8.310 0.043 0.000 0.523 298 A N 1.973 124.808 122.820 0.026 0.000 1.908 298 A HA -0.234 4.088 4.320 0.004 0.000 0.218 298 A C 1.928 179.512 177.584 -0.000 0.000 1.181 298 A CA 2.923 54.968 52.037 0.012 0.000 0.627 298 A CB -0.788 18.227 19.000 0.025 0.000 0.818 298 A HN -0.378 7.726 8.150 0.048 0.075 0.445 299 G N -2.915 105.886 108.800 0.000 0.000 2.443 299 G HA2 -0.205 3.750 3.960 -0.009 0.000 0.219 299 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.219 299 G C 0.641 175.516 174.900 -0.043 0.000 1.131 299 G CA 0.985 46.077 45.100 -0.014 0.000 0.775 299 G HN 0.451 8.751 8.290 0.017 0.000 0.547 300 I N -3.289 117.229 120.570 -0.086 0.000 3.228 300 I HA 0.122 4.237 4.170 -0.091 0.000 0.279 300 I C 0.784 176.860 176.117 -0.069 0.000 1.221 300 I CA -0.399 60.831 61.300 -0.117 0.000 1.458 300 I CB 0.871 38.717 38.000 -0.256 0.000 1.105 300 I HN -0.879 7.248 8.210 -0.088 0.029 0.445 301 G N 1.220 109.990 108.800 -0.050 0.000 2.176 301 G HA2 -0.432 3.522 3.960 -0.010 0.000 0.253 301 G HA3 -0.432 3.518 3.960 -0.016 0.000 0.253 301 G C -1.126 173.761 174.900 -0.021 0.000 0.979 301 G CA 0.384 45.470 45.100 -0.022 0.000 0.641 301 G HN -0.007 8.251 8.290 -0.053 0.000 0.530 302 I N -1.416 119.125 120.570 -0.048 0.000 2.752 302 I HA 0.116 4.268 4.170 -0.029 0.000 0.295 302 I C -2.521 173.549 176.117 -0.079 0.000 1.219 302 I CA -1.907 59.364 61.300 -0.050 0.000 1.030 302 I CB 2.776 40.744 38.000 -0.053 0.000 1.259 302 I HN -0.664 7.440 8.210 -0.070 0.064 0.423 303 N N 6.021 124.673 118.700 -0.082 0.000 2.520 303 N HA 0.082 4.850 4.740 -0.132 -0.107 0.273 303 N C -1.007 174.428 175.510 -0.126 0.000 1.155 303 N CA 0.947 53.912 53.050 -0.141 0.000 0.967 303 N CB 1.416 39.781 38.487 -0.203 0.000 1.092 303 N HN 0.302 8.643 8.380 -0.064 0.000 0.457 304 I N 0.987 121.468 120.570 -0.148 0.000 2.439 304 I HA 0.221 4.540 4.170 0.048 -0.120 0.283 304 I C -1.323 174.714 176.117 -0.133 0.000 1.023 304 I CA -0.713 60.573 61.300 -0.023 0.000 1.100 304 I CB 2.389 40.435 38.000 0.077 0.000 1.238 304 I HN 0.342 8.451 8.210 -0.169 0.000 0.445 305 F N 7.451 127.446 119.950 0.075 0.000 2.619 305 F HA 0.201 4.703 4.527 -0.042 0.000 0.350 305 F C -0.125 175.750 175.800 0.124 0.000 1.259 305 F CA -0.617 57.419 58.000 0.060 0.000 1.204 305 F CB -1.593 37.500 39.000 0.155 0.000 1.556 305 F HN 0.481 9.033 8.300 0.420 0.000 0.650 306 G N 1.847 110.747 108.800 0.168 0.000 2.510 306 G HA2 0.153 4.432 3.960 0.145 0.000 0.280 306 G HA3 0.153 4.472 3.960 0.209 -0.234 0.280 306 G C -0.111 174.885 174.900 0.160 0.000 1.386 306 G CA -1.120 44.083 45.100 0.172 0.000 1.047 306 G HN -0.477 7.820 8.290 0.062 0.030 0.527 307 D N 0.610 121.102 120.400 0.153 0.000 2.144 307 D HA -0.208 4.510 4.640 0.130 0.000 0.199 307 D C 2.487 178.885 176.300 0.164 0.000 0.984 307 D CA 3.458 57.555 54.000 0.160 0.000 0.834 307 D CB -0.366 40.590 40.800 0.259 0.000 0.955 307 D HN 0.001 8.463 8.370 0.154 0.000 0.465 308 V N -0.987 119.003 119.914 0.126 0.000 2.324 308 V HA -0.419 3.817 4.120 0.192 0.000 0.250 308 V C 1.536 177.758 176.094 0.214 0.000 1.060 308 V CA 3.675 66.062 62.300 0.145 0.000 1.042 308 V CB -0.708 31.131 31.823 0.026 0.000 0.650 308 V HN -0.500 7.740 8.190 0.083 0.000 0.450 309 A N -1.787 121.146 122.820 0.189 0.000 1.855 309 A HA -0.246 4.302 4.320 0.380 0.000 0.213 309 A C 2.520 180.337 177.584 0.387 0.000 1.195 309 A CA 2.501 54.729 52.037 0.319 0.000 0.610 309 A CB -0.010 19.141 19.000 0.252 0.000 0.837 309 A HN -0.690 7.532 8.150 0.130 0.006 0.444 310 L N -2.345 119.058 121.223 0.300 0.000 2.083 310 L HA -0.400 4.138 4.340 0.329 0.000 0.209 310 L C 2.362 179.335 176.870 0.171 0.000 1.083 310 L CA 2.557 57.544 54.840 0.245 0.000 0.752 310 L CB -0.345 41.808 42.059 0.157 0.000 0.899 310 L HN -0.208 8.177 8.230 0.259 0.000 0.433 311 K N -2.363 118.134 120.400 0.162 0.000 2.442 311 K HA -0.157 4.281 4.320 0.037 -0.096 0.198 311 K C 1.199 177.979 176.600 0.300 0.000 1.042 311 K CA 2.202 58.570 56.287 0.136 0.000 0.958 311 K CB -0.596 31.956 32.500 0.085 0.000 0.766 311 K HN 0.074 8.411 8.250 0.179 0.020 0.474 312 A N -1.872 121.169 122.820 0.368 0.000 2.238 312 A HA -0.024 4.504 4.320 0.347 0.000 0.208 312 A C -1.560 176.130 177.584 0.177 0.000 1.177 312 A CA 0.281 52.488 52.037 0.283 0.000 0.804 312 A CB 0.137 19.234 19.000 0.161 0.000 0.823 312 A HN -0.574 7.752 8.150 0.362 0.042 0.482 313 A N -4.340 118.594 122.820 0.191 0.000 2.527 313 A HA 0.635 5.142 4.320 0.133 -0.107 0.293 313 A C -2.446 175.206 177.584 0.114 0.000 1.117 313 A CA -1.989 50.144 52.037 0.160 0.000 0.723 313 A CB 3.057 22.220 19.000 0.272 0.000 1.313 313 A HN -0.580 7.511 8.150 0.199 0.178 0.411 314 F N 1.813 121.716 119.950 -0.079 0.000 2.405 314 F HA 0.378 4.812 4.527 -0.155 0.000 0.355 314 F C -1.948 173.640 175.800 -0.353 0.000 1.121 314 F CA -0.990 56.906 58.000 -0.175 0.000 1.112 314 F CB 2.526 41.454 39.000 -0.121 0.000 1.126 314 F HN 0.110 8.530 8.300 0.199 0.000 0.481 315 V N 8.603 127.996 119.914 -0.867 0.000 2.448 315 V HA 0.626 4.284 4.120 -1.088 -0.191 0.295 315 V C -1.417 174.006 176.094 -1.118 0.000 1.025 315 V CA -2.146 59.542 62.300 -1.019 0.000 0.859 315 V CB 1.975 33.249 31.823 -0.916 0.000 0.988 315 V HN 0.409 8.026 8.190 -0.954 0.000 0.431 316 V N 7.284 126.539 119.914 -1.099 0.000 2.370 316 V HA 0.275 3.935 4.120 -0.767 0.000 0.283 316 V C -0.998 174.483 176.094 -1.021 0.000 1.023 316 V CA -1.305 60.496 62.300 -0.832 0.000 0.857 316 V CB 0.599 32.154 31.823 -0.447 0.000 0.985 316 V HN 0.635 8.031 8.190 -1.141 0.109 0.443 317 F N 7.437 126.715 119.950 -1.120 0.000 2.303 317 F HA 0.181 3.926 4.527 -1.304 0.000 0.368 317 F C -1.343 174.017 175.800 -0.733 0.000 1.105 317 F CA -1.144 55.972 58.000 -1.474 0.000 1.153 317 F CB 0.026 37.367 39.000 -2.766 0.000 1.362 317 F HN 0.806 8.591 8.300 -0.859 0.000 0.511 318 N N 4.051 122.729 118.700 -0.037 0.000 2.437 318 N HA 0.128 4.974 4.740 0.175 0.000 0.243 318 N C -0.107 175.726 175.510 0.537 0.000 1.041 318 N CA -1.141 52.041 53.050 0.220 0.000 0.940 318 N CB 0.763 39.330 38.487 0.133 0.000 1.133 318 N HN -0.163 8.187 8.380 -0.051 0.000 0.506 319 G N 4.423 113.621 108.800 0.663 0.000 3.591 319 G HA2 0.208 4.689 3.960 0.868 0.000 0.282 319 G HA3 0.208 4.620 3.960 0.753 0.000 0.282 319 G C -1.588 173.506 174.900 0.325 0.000 1.238 319 G CA -1.413 44.102 45.100 0.691 0.000 0.993 319 G HN 0.208 8.889 8.290 0.651 0.000 0.542 320 A N 0.318 123.282 122.820 0.241 0.000 2.455 320 A HA -0.071 4.311 4.320 0.102 0.000 0.244 320 A C -0.079 177.574 177.584 0.115 0.000 1.099 320 A CA 0.483 52.599 52.037 0.132 0.000 0.786 320 A CB -0.225 18.828 19.000 0.088 0.000 1.051 320 A HN -0.580 7.908 8.150 0.257 -0.184 0.508 321 T N -1.415 113.175 114.554 0.061 0.000 2.737 321 T HA -0.244 4.130 4.350 0.040 0.000 0.269 321 T C 0.355 175.072 174.700 0.028 0.000 1.040 321 T CA 2.607 64.729 62.100 0.038 0.000 1.142 321 T CB -0.109 68.769 68.868 0.016 0.000 0.861 321 T HN 0.162 8.432 8.240 0.049 0.000 0.456 322 T N 3.580 118.153 114.554 0.032 0.000 2.781 322 T HA 0.324 4.673 4.350 -0.002 0.000 0.305 322 T C -2.123 172.618 174.700 0.068 0.000 1.001 322 T CA -2.274 59.839 62.100 0.023 0.000 0.950 322 T CB 0.689 69.566 68.868 0.013 0.000 0.955 322 T HN -0.447 7.813 8.240 0.034 0.000 0.471 323 P HA 0.337 5.062 4.420 0.278 -0.137 0.274 323 P C -1.113 176.324 177.300 0.229 0.000 1.231 323 P CA -0.704 62.532 63.100 0.227 0.000 0.790 323 P CB 1.093 32.936 31.700 0.238 0.000 0.951 324 T N -3.267 111.473 114.554 0.311 0.000 2.865 324 T HA 0.296 4.798 4.350 0.255 0.000 0.294 324 T C -1.796 173.068 174.700 0.273 0.000 1.119 324 T CA -1.815 60.442 62.100 0.261 0.000 1.007 324 T CB 3.791 72.757 68.868 0.165 0.000 1.225 324 T HN -0.054 8.402 8.240 0.360 0.000 0.515 325 L N 0.720 122.010 121.223 0.113 0.000 2.362 325 L HA 0.798 5.045 4.340 -0.440 -0.170 0.275 325 L C -0.931 175.721 176.870 -0.362 0.000 0.998 325 L CA -1.274 53.398 54.840 -0.279 0.000 0.820 325 L CB 3.592 45.347 42.059 -0.507 0.000 1.270 325 L HN 0.076 8.390 8.230 0.140 0.000 0.415 326 G N 1.435 109.813 108.800 -0.703 0.000 2.452 326 G HA2 0.747 3.911 3.960 -1.328 0.000 0.324 326 G HA3 0.747 4.405 3.960 -0.831 -0.196 0.324 326 G C -2.200 172.099 174.900 -1.001 0.000 1.214 326 G CA -1.414 43.105 45.100 -0.967 0.000 0.947 326 G HN 0.614 8.428 8.290 -0.793 0.000 0.478 327 F N 1.886 121.458 119.950 -0.630 0.000 2.540 327 F HA 0.796 5.220 4.527 -0.449 -0.166 0.317 327 F C -1.849 173.719 175.800 -0.387 0.000 1.104 327 F CA -1.550 56.173 58.000 -0.462 0.000 0.913 327 F CB 4.598 43.374 39.000 -0.373 0.000 1.170 327 F HN 0.254 8.341 8.300 -0.354 0.000 0.450 328 A N 1.843 124.592 122.820 -0.118 0.000 2.435 328 A HA 0.610 4.853 4.320 -0.128 0.000 0.304 328 A C -1.815 175.768 177.584 -0.002 0.000 1.064 328 A CA -1.716 50.249 52.037 -0.120 0.000 0.727 328 A CB 3.486 22.290 19.000 -0.328 0.000 1.284 328 A HN 0.572 8.669 8.150 -0.088 0.000 0.415 329 S N 0.982 116.675 115.700 -0.013 0.000 2.589 329 S HA 0.005 4.472 4.470 -0.005 0.000 0.265 329 S C 0.205 174.846 174.600 0.068 0.000 1.342 329 S CA 1.511 59.713 58.200 0.004 0.000 1.005 329 S CB 0.738 63.917 63.200 -0.035 0.000 0.909 329 S HN 0.382 8.670 8.310 -0.037 0.000 0.555 330 K N 0.000 120.436 120.400 0.060 0.000 2.780 330 K HA 0.000 4.359 4.320 0.064 0.000 0.191 330 K CA 0.000 56.332 56.287 0.075 0.000 0.838 330 K CB 0.000 32.577 32.500 0.128 0.000 1.064 330 K HN 0.000 8.273 8.250 0.038 0.000 0.543