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 1p7v_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAQTNAPWGL ARISSTSPGT STYYYDESAG QGScVYVIDT GIEASHPEFE DATA SEQUENCE GRAQMVKTYY YSSRDGNGHG THCAGTVGSR TYGVAKKTQL FGVKVLDDNG DATA SEQUENCE SGQYSTIIAG MDFVASDKNN RNcPKGVVAS LSLGGGYSSS VNSAAARLQS DATA SEQUENCE SGVMVAVAAG NNNADARNYS PASEPSVcTV GASDRYDRRS SFSNYGSVLD DATA SEQUENCE IFGPGTDILS TWIGGSTRSI SGTSMATPHV AGLAAYLMTL GKTTAASAcR DATA SEQUENCE YIADTANKGD LSNIPFGTVN LLAYNNYQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.162 4.320 -0.263 0.000 0.244 1 A C 0.000 177.337 177.584 -0.412 0.000 1.274 1 A CA 0.000 51.740 52.037 -0.495 0.000 0.836 1 A CB 0.000 18.429 19.000 -0.952 0.000 0.831 2 A N 0.580 123.285 122.820 -0.191 0.000 2.359 2 A HA 0.780 5.229 4.320 -0.092 -0.184 0.303 2 A C -1.507 176.049 177.584 -0.047 0.000 1.066 2 A CA -0.759 51.250 52.037 -0.047 0.000 0.730 2 A CB 2.682 21.776 19.000 0.156 0.000 1.211 2 A HN 0.187 8.239 8.150 -0.163 0.000 0.439 3 Q N 5.367 125.151 119.800 -0.027 0.000 2.394 3 Q HA 0.341 4.701 4.340 0.033 0.000 0.259 3 Q C -0.856 175.134 176.000 -0.018 0.000 1.021 3 Q CA -1.559 54.266 55.803 0.037 0.000 0.805 3 Q CB 1.946 30.772 28.738 0.146 0.000 1.226 3 Q HN 0.445 8.669 8.270 -0.076 0.000 0.476 4 T N 3.732 118.278 114.554 -0.013 0.000 2.868 4 T HA -0.035 4.298 4.350 -0.029 0.000 0.292 4 T C 0.111 174.810 174.700 -0.002 0.000 1.028 4 T CA 0.157 62.250 62.100 -0.011 0.000 1.059 4 T CB 0.771 69.644 68.868 0.009 0.000 0.991 4 T HN 0.302 8.540 8.240 -0.003 0.000 0.531 5 N N -1.784 116.921 118.700 0.008 0.000 2.714 5 N HA -0.491 4.268 4.740 0.030 0.000 0.252 5 N C -1.190 174.331 175.510 0.018 0.000 1.014 5 N CA 1.222 54.285 53.050 0.021 0.000 0.735 5 N CB -1.397 37.104 38.487 0.024 0.000 0.924 5 N HN 0.430 8.816 8.380 0.009 0.000 0.540 6 A N -1.325 121.503 122.820 0.013 0.000 2.332 6 A HA 0.182 4.489 4.320 -0.022 0.000 0.258 6 A C -2.065 175.531 177.584 0.019 0.000 1.087 6 A CA -1.301 50.735 52.037 -0.001 0.000 0.802 6 A CB 0.467 19.472 19.000 0.009 0.000 1.042 6 A HN -0.248 7.899 8.150 0.010 0.008 0.489 7 P HA -0.103 4.366 4.420 0.081 0.000 0.266 7 P C 0.608 177.887 177.300 -0.034 0.000 1.193 7 P CA 0.035 63.142 63.100 0.012 0.000 0.770 7 P CB 0.385 32.071 31.700 -0.023 0.000 0.836 8 W N 2.739 124.036 121.300 -0.005 0.000 2.342 8 W HA -0.339 4.299 4.660 -0.037 0.000 0.297 8 W C 1.176 177.668 176.519 -0.045 0.000 1.213 8 W CA 2.875 60.199 57.345 -0.035 0.000 1.251 8 W CB -1.158 28.265 29.460 -0.062 0.000 1.136 8 W HN 0.568 8.890 8.180 0.238 0.000 0.526 9 G N 0.225 108.370 108.800 -1.092 0.000 2.408 9 G HA2 -0.388 2.700 3.960 -1.453 0.000 0.217 9 G HA3 -0.388 2.846 3.960 -1.210 0.000 0.217 9 G C 0.655 175.270 174.900 -0.474 0.000 1.150 9 G CA 1.459 45.874 45.100 -1.141 0.000 0.776 9 G HN 0.121 7.647 8.290 -1.250 0.014 0.542 10 L N 1.556 122.560 121.223 -0.366 0.000 2.027 10 L HA -0.398 3.553 4.340 -0.647 0.000 0.206 10 L C 2.077 178.755 176.870 -0.320 0.000 1.074 10 L CA 2.486 56.985 54.840 -0.569 0.000 0.745 10 L CB -0.432 41.152 42.059 -0.792 0.000 0.898 10 L HN -0.796 7.229 8.230 -0.342 0.000 0.433 11 A N -2.181 120.581 122.820 -0.096 0.000 1.940 11 A HA -0.253 4.277 4.320 0.128 -0.133 0.219 11 A C 2.666 180.326 177.584 0.127 0.000 1.176 11 A CA 2.584 54.665 52.037 0.073 0.000 0.631 11 A CB -0.635 18.416 19.000 0.085 0.000 0.814 11 A HN -0.457 7.633 8.150 -0.102 0.000 0.446 12 R N -0.730 119.820 120.500 0.084 0.000 2.075 12 R HA -0.222 4.218 4.340 0.167 0.000 0.232 12 R C 2.517 178.898 176.300 0.136 0.000 1.126 12 R CA 2.149 58.329 56.100 0.133 0.000 0.963 12 R CB -0.298 30.112 30.300 0.182 0.000 0.858 12 R HN -0.309 7.870 8.270 0.018 0.102 0.435 13 I N -2.471 118.144 120.570 0.074 0.000 2.614 13 I HA -0.150 4.306 4.170 0.180 -0.177 0.258 13 I C -0.108 176.217 176.117 0.347 0.000 1.189 13 I CA 3.079 64.472 61.300 0.156 0.000 1.462 13 I CB -0.470 37.545 38.000 0.025 0.000 1.092 13 I HN -0.353 7.839 8.210 -0.028 0.000 0.442 14 S N -6.573 109.366 115.700 0.397 0.000 2.601 14 S HA 0.315 5.265 4.470 0.481 -0.191 0.244 14 S C -0.415 174.539 174.600 0.590 0.000 1.001 14 S CA -1.489 57.019 58.200 0.513 0.000 0.984 14 S CB -0.081 63.443 63.200 0.539 0.000 0.842 14 S HN -0.653 7.834 8.310 0.339 0.026 0.474 15 S N 0.692 116.670 115.700 0.463 0.000 2.542 15 S HA 0.244 4.910 4.470 0.326 0.000 0.293 15 S C 0.658 175.217 174.600 -0.069 0.000 1.089 15 S CA -1.694 56.666 58.200 0.267 0.000 0.961 15 S CB 1.317 64.636 63.200 0.199 0.000 1.062 15 S HN -0.615 7.882 8.310 0.405 0.056 0.483 16 T N 2.543 117.011 114.554 -0.144 0.000 3.035 16 T HA -0.115 3.890 4.350 -0.576 0.000 0.268 16 T C 0.121 174.734 174.700 -0.146 0.000 1.109 16 T CA 1.495 63.416 62.100 -0.298 0.000 1.119 16 T CB 0.129 68.891 68.868 -0.175 0.000 0.900 16 T HN 0.470 8.705 8.240 -0.008 0.000 0.503 17 S N 2.444 118.116 115.700 -0.046 0.000 2.542 17 S HA 0.403 4.853 4.470 -0.032 0.000 0.293 17 S C -2.330 172.279 174.600 0.016 0.000 1.089 17 S CA -2.591 55.600 58.200 -0.015 0.000 0.961 17 S CB 2.053 65.256 63.200 0.005 0.000 1.062 17 S HN -0.569 7.694 8.310 -0.008 0.042 0.483 18 P HA -0.010 4.426 4.420 0.026 0.000 0.274 18 P C 0.383 177.679 177.300 -0.008 0.000 1.256 18 P CA 0.201 63.298 63.100 -0.004 0.000 0.795 18 P CB 0.390 32.059 31.700 -0.050 0.000 1.038 19 G N -0.823 107.954 108.800 -0.038 0.000 2.132 19 G HA2 -0.300 3.605 3.960 -0.091 0.000 0.234 19 G HA3 -0.300 3.644 3.960 -0.027 0.000 0.234 19 G C -0.523 174.389 174.900 0.019 0.000 0.989 19 G CA 0.113 45.191 45.100 -0.038 0.000 0.676 19 G HN 0.578 8.837 8.290 -0.052 0.000 0.522 20 T N -3.350 111.238 114.554 0.057 0.000 2.940 20 T HA 0.327 4.720 4.350 0.072 0.000 0.288 20 T C -0.327 174.426 174.700 0.087 0.000 1.045 20 T CA -1.842 60.308 62.100 0.083 0.000 1.018 20 T CB 2.744 71.686 68.868 0.124 0.000 1.151 20 T HN -0.589 7.693 8.240 0.070 0.000 0.529 21 S N -1.825 113.918 115.700 0.072 0.000 2.847 21 S HA 0.161 4.677 4.470 0.077 0.000 0.254 21 S C -0.920 173.687 174.600 0.011 0.000 1.039 21 S CA -0.368 57.867 58.200 0.057 0.000 1.113 21 S CB 1.288 64.521 63.200 0.054 0.000 1.092 21 S HN 0.341 8.694 8.310 0.072 0.000 0.620 22 T N 3.874 118.398 114.554 -0.051 0.000 2.794 22 T HA 0.538 4.978 4.350 -0.148 -0.179 0.280 22 T C -1.230 173.257 174.700 -0.356 0.000 0.987 22 T CA -0.211 61.746 62.100 -0.237 0.000 0.993 22 T CB 2.553 71.197 68.868 -0.374 0.000 0.939 22 T HN -0.847 7.380 8.240 -0.022 0.000 0.449 23 Y N 9.479 129.549 120.300 -0.383 0.000 2.326 23 Y HA 0.253 4.688 4.550 -0.192 0.000 0.337 23 Y C -0.406 175.338 175.900 -0.260 0.000 1.023 23 Y CA -2.429 55.526 58.100 -0.242 0.000 1.143 23 Y CB 0.740 39.145 38.460 -0.091 0.000 1.183 23 Y HN 0.174 8.427 8.280 -0.045 0.000 0.485 24 Y N 8.817 129.136 120.300 0.031 0.000 2.352 24 Y HA 0.826 5.252 4.550 -0.207 0.000 0.339 24 Y C -1.085 174.580 175.900 -0.391 0.000 0.992 24 Y CA -1.952 56.086 58.100 -0.103 0.000 1.100 24 Y CB 1.881 40.468 38.460 0.212 0.000 1.192 24 Y HN -0.049 nan 8.280 nan 0.000 0.458 25 Y N -3.222 116.617 120.300 -0.768 0.000 2.592 25 Y HA 0.189 4.041 4.550 -1.164 0.000 0.334 25 Y C -2.260 172.949 175.900 -1.151 0.000 1.136 25 Y CA -1.561 55.880 58.100 -1.098 0.000 1.042 25 Y CB 2.326 40.192 38.460 -0.991 0.000 1.325 25 Y HN -0.029 7.685 8.280 -0.944 0.000 0.457 26 D N 1.803 121.734 120.400 -0.782 0.000 2.458 26 D HA -0.028 4.394 4.640 -0.365 0.000 0.243 26 D C 1.109 177.387 176.300 -0.036 0.000 1.146 26 D CA 0.728 54.549 54.000 -0.298 0.000 0.877 26 D CB 2.374 43.166 40.800 -0.013 0.000 1.176 26 D HN -0.170 7.968 8.370 -0.388 0.000 0.461 27 E N 6.188 126.327 120.200 -0.102 0.000 2.333 27 E HA -0.351 3.999 4.350 -0.000 0.000 0.198 27 E C 1.346 177.988 176.600 0.070 0.000 1.007 27 E CA 2.411 58.800 56.400 -0.018 0.000 0.845 27 E CB -0.482 29.187 29.700 -0.053 0.000 0.766 27 E HN 0.631 8.923 8.360 -0.113 0.000 0.507 28 S N 0.541 116.263 115.700 0.036 0.000 2.383 28 S HA -0.373 4.102 4.470 0.009 0.000 0.229 28 S C 0.982 175.616 174.600 0.056 0.000 1.030 28 S CA 2.456 60.663 58.200 0.012 0.000 1.002 28 S CB 0.184 63.350 63.200 -0.056 0.000 0.829 28 S HN -0.323 8.264 8.310 0.009 -0.271 0.467 29 A N 0.603 123.519 122.820 0.161 0.000 2.832 29 A HA -0.404 4.125 4.320 0.348 0.000 0.280 29 A C -0.249 177.406 177.584 0.119 0.000 1.464 29 A CA 0.680 52.844 52.037 0.213 0.000 0.804 29 A CB -1.814 17.280 19.000 0.158 0.000 1.020 29 A HN -0.347 7.925 8.150 0.204 0.000 0.563 30 G N -6.805 102.043 108.800 0.079 0.000 2.148 30 G HA2 -0.582 3.382 3.960 0.007 0.000 0.254 30 G HA3 -0.582 3.408 3.960 0.050 0.000 0.254 30 G C 0.035 174.929 174.900 -0.010 0.000 0.981 30 G CA -0.092 45.026 45.100 0.030 0.000 0.670 30 G HN 0.354 8.646 8.290 0.033 0.017 0.528 31 Q N 0.574 120.368 119.800 -0.011 0.000 2.315 31 Q HA -0.412 4.098 4.340 -0.025 -0.185 0.289 31 Q C 0.435 176.418 176.000 -0.028 0.000 1.044 31 Q CA 2.023 57.814 55.803 -0.020 0.000 0.920 31 Q CB 0.291 29.021 28.738 -0.012 0.000 1.214 31 Q HN -0.521 7.707 8.270 -0.001 0.041 0.392 32 G N 1.313 110.095 108.800 -0.029 0.000 2.199 32 G HA2 -0.399 3.552 3.960 -0.016 0.000 0.254 32 G HA3 -0.399 3.549 3.960 -0.020 0.000 0.254 32 G C -0.742 174.147 174.900 -0.018 0.000 0.982 32 G CA -0.084 45.003 45.100 -0.021 0.000 0.632 32 G HN 0.637 8.907 8.290 -0.033 0.000 0.529 33 S N -0.234 115.449 115.700 -0.029 0.000 2.713 33 S HA 0.781 5.381 4.470 -0.003 -0.131 0.283 33 S C -0.837 173.730 174.600 -0.055 0.000 1.161 33 S CA -1.690 56.497 58.200 -0.022 0.000 0.999 33 S CB 2.848 66.038 63.200 -0.017 0.000 1.039 33 S HN -0.531 7.688 8.310 -0.036 0.070 0.548 34 c N -0.753 117.828 118.600 -0.032 0.000 2.609 34 c HA 0.781 5.368 4.570 -0.282 -0.186 0.313 34 c C -1.420 172.637 174.090 -0.055 0.000 1.175 34 c CA -0.984 55.274 56.329 -0.119 0.000 1.434 34 c CB 3.191 45.734 42.510 0.056 0.000 2.005 34 c HN -0.020 8.218 8.230 0.014 0.000 0.471 35 V N 1.139 120.945 119.914 -0.179 0.000 2.483 35 V HA 0.600 4.981 4.120 0.091 -0.206 0.297 35 V C -1.136 174.922 176.094 -0.060 0.000 1.027 35 V CA -1.462 60.817 62.300 -0.036 0.000 0.855 35 V CB 2.514 34.309 31.823 -0.048 0.000 0.995 35 V HN 0.771 8.753 8.190 -0.347 0.000 0.424 36 Y N 6.688 127.049 120.300 0.101 0.000 2.336 36 Y HA 0.229 5.104 4.550 0.200 -0.205 0.335 36 Y C -0.489 175.458 175.900 0.078 0.000 1.046 36 Y CA -0.313 57.877 58.100 0.150 0.000 1.198 36 Y CB 1.182 39.755 38.460 0.188 0.000 1.182 36 Y HN 0.590 9.160 8.280 0.483 0.000 0.502 37 V N 3.848 123.871 119.914 0.182 0.000 2.313 37 V HA 0.214 4.532 4.120 0.106 -0.135 0.278 37 V C -1.197 174.980 176.094 0.138 0.000 1.017 37 V CA -0.581 61.783 62.300 0.107 0.000 0.823 37 V CB 0.249 32.080 31.823 0.013 0.000 1.010 37 V HN 0.500 8.784 8.190 0.158 0.000 0.443 38 I N 9.141 129.798 120.570 0.146 0.000 2.287 38 I HA 0.377 4.820 4.170 0.160 -0.178 0.290 38 I C -1.368 174.822 176.117 0.121 0.000 1.069 38 I CA -0.127 61.260 61.300 0.144 0.000 1.237 38 I CB -0.514 37.568 38.000 0.135 0.000 1.418 38 I HN 0.154 8.445 8.210 0.136 0.000 0.481 39 D N 6.541 127.009 120.400 0.112 0.000 4.052 39 D HA 0.238 4.947 4.640 0.114 0.000 0.347 39 D C -0.678 175.663 176.300 0.068 0.000 1.574 39 D CA 0.063 54.129 54.000 0.110 0.000 0.972 39 D CB 2.726 43.608 40.800 0.137 0.000 1.472 39 D HN 0.243 8.681 8.370 0.112 0.000 0.623 40 T N -0.602 113.976 114.554 0.041 0.000 3.194 40 T HA 0.106 4.627 4.350 -0.070 -0.214 0.251 40 T C 0.124 174.790 174.700 -0.056 0.000 1.132 40 T CA 1.087 63.162 62.100 -0.042 0.000 1.028 40 T CB 0.191 69.012 68.868 -0.079 0.000 0.976 40 T HN 0.282 8.572 8.240 0.084 0.000 0.535 41 G N -0.516 108.271 108.800 -0.022 0.000 2.434 41 G HA2 -0.221 3.725 3.960 -0.025 0.000 0.671 41 G HA3 -0.221 3.704 3.960 -0.058 0.000 0.671 41 G C -3.129 171.734 174.900 -0.062 0.000 1.280 41 G CA -0.728 44.348 45.100 -0.041 0.000 0.975 41 G HN -0.608 7.612 8.290 0.007 0.074 0.510 42 I N -1.332 119.190 120.570 -0.081 0.000 2.607 42 I HA 0.147 4.262 4.170 -0.092 0.000 0.290 42 I C -1.339 174.740 176.117 -0.062 0.000 1.129 42 I CA -1.012 60.218 61.300 -0.116 0.000 1.042 42 I CB 4.065 41.908 38.000 -0.262 0.000 1.242 42 I HN -0.320 7.846 8.210 -0.073 0.000 0.421 43 E N 7.014 127.236 120.200 0.036 0.000 1.791 43 E HA 0.003 4.385 4.350 0.054 0.000 0.263 43 E C 0.141 176.867 176.600 0.210 0.000 1.213 43 E CA -1.081 55.386 56.400 0.112 0.000 0.991 43 E CB -0.201 29.591 29.700 0.153 0.000 1.068 43 E HN 0.216 8.620 8.360 0.073 0.000 0.417 44 A N 6.857 129.719 122.820 0.070 0.000 2.019 44 A HA -0.294 4.008 4.320 -0.029 0.000 0.219 44 A C 0.600 178.306 177.584 0.203 0.000 1.164 44 A CA 2.860 54.933 52.037 0.061 0.000 0.644 44 A CB -0.209 18.776 19.000 -0.025 0.000 0.805 44 A HN -0.374 7.788 8.150 0.021 0.000 0.449 45 S N -3.532 112.267 115.700 0.166 0.000 2.555 45 S HA -0.255 4.285 4.470 0.116 0.000 0.230 45 S C -0.128 174.575 174.600 0.171 0.000 0.978 45 S CA 0.094 58.374 58.200 0.134 0.000 0.934 45 S CB -0.350 62.891 63.200 0.070 0.000 0.766 45 S HN -0.315 8.047 8.310 0.132 0.027 0.533 46 H N 6.302 125.476 119.070 0.174 0.000 3.070 46 H HA -0.029 4.550 4.556 0.038 0.000 0.313 46 H C -0.475 174.854 175.328 0.002 0.000 0.997 46 H CA 0.001 56.088 56.048 0.065 0.000 1.438 46 H CB 1.167 30.927 29.762 -0.003 0.000 1.455 46 H HN -0.738 7.762 8.280 0.450 0.050 0.575 47 P HA -0.325 4.141 4.420 0.077 0.000 0.217 47 P C 2.140 179.496 177.300 0.093 0.000 1.148 47 P CA 2.048 65.212 63.100 0.105 0.000 0.828 47 P CB 0.153 31.876 31.700 0.039 0.000 0.783 48 E N -1.769 118.503 120.200 0.118 0.000 2.265 48 E HA -0.173 4.095 4.350 -0.138 0.000 0.196 48 E C 1.618 178.018 176.600 -0.334 0.000 0.996 48 E CA 1.490 57.747 56.400 -0.239 0.000 0.832 48 E CB -0.360 29.005 29.700 -0.559 0.000 0.756 48 E HN 0.497 nan 8.360 nan 0.000 0.491 49 F N -2.613 117.350 119.950 0.021 0.000 2.698 49 F HA 0.079 4.573 4.527 -0.056 0.000 0.295 49 F C -0.593 175.195 175.800 -0.019 0.000 1.124 49 F CA -1.243 56.743 58.000 -0.024 0.000 1.426 49 F CB 0.448 39.433 39.000 -0.025 0.000 1.120 49 F HN -0.413 7.792 8.300 -0.108 0.031 0.583 50 E N -2.310 117.974 120.200 0.138 0.000 2.586 50 E HA -0.405 3.982 4.350 0.062 0.000 0.259 50 E C 0.353 176.996 176.600 0.071 0.000 1.107 50 E CA 0.739 57.185 56.400 0.076 0.000 0.754 50 E CB -2.485 27.240 29.700 0.041 0.000 1.335 50 E HN -0.447 7.989 8.360 0.126 0.000 0.411 51 G N -4.711 104.145 108.800 0.094 0.000 2.184 51 G HA2 -0.442 3.554 3.960 0.060 0.000 0.264 51 G HA3 -0.442 3.543 3.960 0.042 0.000 0.264 51 G C 0.367 175.282 174.900 0.025 0.000 0.975 51 G CA 0.362 45.495 45.100 0.056 0.000 0.642 51 G HN 0.467 8.818 8.290 0.133 0.019 0.536 52 R N -2.366 118.148 120.500 0.024 0.000 2.310 52 R HA -0.072 4.231 4.340 -0.063 0.000 0.202 52 R C -1.258 174.955 176.300 -0.146 0.000 0.933 52 R CA 0.186 56.256 56.100 -0.051 0.000 1.054 52 R CB 0.719 30.994 30.300 -0.041 0.000 0.985 52 R HN -0.165 7.982 8.270 0.067 0.163 0.489 53 A N -3.125 119.610 122.820 -0.141 0.000 2.325 53 A HA 0.766 5.085 4.320 -0.345 -0.205 0.333 53 A C -1.734 175.763 177.584 -0.145 0.000 1.155 53 A CA -1.842 50.024 52.037 -0.285 0.000 0.814 53 A CB 2.339 20.967 19.000 -0.620 0.000 1.206 53 A HN -0.322 7.751 8.150 -0.056 0.043 0.482 54 Q N 0.053 119.792 119.800 -0.102 0.000 2.391 54 Q HA 0.301 4.627 4.340 -0.024 0.000 0.279 54 Q C -1.424 174.591 176.000 0.026 0.000 1.028 54 Q CA -1.497 54.305 55.803 -0.001 0.000 0.836 54 Q CB 3.610 32.396 28.738 0.080 0.000 1.414 54 Q HN 0.162 8.355 8.270 -0.128 0.000 0.397 55 M N 2.365 121.968 119.600 0.004 0.000 2.217 55 M HA -0.061 4.547 4.480 0.010 -0.122 0.354 55 M C 0.450 176.762 176.300 0.021 0.000 1.225 55 M CA -0.206 55.097 55.300 0.004 0.000 1.137 55 M CB -0.341 32.243 32.600 -0.026 0.000 1.576 55 M HN 0.410 8.695 8.290 -0.008 0.000 0.461 56 V N -2.040 117.892 119.914 0.030 0.000 3.562 56 V HA 0.299 4.430 4.120 0.018 0.000 0.270 56 V C -0.559 175.482 176.094 -0.087 0.000 1.418 56 V CA -1.424 60.896 62.300 0.033 0.000 1.033 56 V CB 1.603 33.494 31.823 0.113 0.000 0.820 56 V HN 0.521 8.738 8.190 0.044 0.000 0.441 57 K N -0.998 119.266 120.400 -0.227 0.000 2.572 57 K HA 0.257 4.278 4.320 -0.499 0.000 0.263 57 K C -2.621 173.744 176.600 -0.391 0.000 0.932 57 K CA -0.023 55.950 56.287 -0.524 0.000 0.838 57 K CB 3.290 35.066 32.500 -1.207 0.000 1.366 57 K HN -0.740 7.423 8.250 -0.146 0.000 0.425 58 T N 3.521 117.798 114.554 -0.461 0.000 2.903 58 T HA 0.437 4.828 4.350 -0.179 -0.148 0.299 58 T C -1.130 173.215 174.700 -0.592 0.000 1.093 58 T CA -1.259 60.650 62.100 -0.319 0.000 1.002 58 T CB 1.083 69.875 68.868 -0.126 0.000 1.127 58 T HN -0.019 7.918 8.240 -0.505 0.000 0.488 59 Y N 3.101 123.252 120.300 -0.247 0.000 2.531 59 Y HA 0.169 4.513 4.550 -0.343 0.000 0.249 59 Y C -0.831 174.641 175.900 -0.713 0.000 1.168 59 Y CA -0.209 57.597 58.100 -0.490 0.000 1.226 59 Y CB 1.165 39.271 38.460 -0.589 0.000 1.177 59 Y HN 0.239 8.530 8.280 0.019 0.000 0.527 60 Y N -2.605 117.669 120.300 -0.043 0.000 2.686 60 Y HA 0.069 4.608 4.550 -0.019 0.000 0.330 60 Y C -0.302 175.525 175.900 -0.122 0.000 1.082 60 Y CA -1.530 56.512 58.100 -0.096 0.000 1.158 60 Y CB 1.268 39.599 38.460 -0.216 0.000 1.333 60 Y HN -0.483 7.718 8.280 -0.033 0.059 0.519 61 Y N -3.846 116.551 120.300 0.162 0.000 2.403 61 Y HA -0.173 4.402 4.550 0.041 0.000 0.291 61 Y C -0.147 175.780 175.900 0.045 0.000 1.143 61 Y CA 0.861 59.002 58.100 0.069 0.000 1.257 61 Y CB 0.059 38.552 38.460 0.055 0.000 0.984 61 Y HN 0.015 8.339 8.280 0.074 0.000 0.550 62 S N -3.143 112.403 115.700 -0.256 0.000 2.595 62 S HA 0.251 4.718 4.470 -0.006 0.000 0.281 62 S C -0.001 174.521 174.600 -0.131 0.000 1.117 62 S CA -2.303 55.827 58.200 -0.117 0.000 0.873 62 S CB 1.083 64.232 63.200 -0.086 0.000 1.108 62 S HN -0.885 7.062 8.310 -0.558 0.028 0.477 63 S N 2.114 117.769 115.700 -0.075 0.000 2.575 63 S HA 0.081 4.509 4.470 -0.070 0.000 0.215 63 S C 0.039 174.598 174.600 -0.069 0.000 0.966 63 S CA 0.137 58.295 58.200 -0.070 0.000 0.911 63 S CB 0.303 63.467 63.200 -0.060 0.000 0.780 63 S HN 0.445 8.725 8.310 -0.050 0.000 0.514 64 R N 2.658 123.115 120.500 -0.071 0.000 2.570 64 R HA -0.201 4.112 4.340 -0.046 0.000 0.277 64 R C -0.867 175.376 176.300 -0.095 0.000 1.039 64 R CA 0.780 56.843 56.100 -0.062 0.000 1.065 64 R CB 0.797 31.078 30.300 -0.033 0.000 0.964 64 R HN -0.739 7.441 8.270 -0.070 0.048 0.428 65 D N 4.168 124.515 120.400 -0.088 0.000 2.359 65 D HA -0.017 4.733 4.640 -0.132 -0.190 0.250 65 D C 0.576 176.798 176.300 -0.130 0.000 1.264 65 D CA -0.180 53.747 54.000 -0.121 0.000 0.911 65 D CB -0.438 40.286 40.800 -0.128 0.000 1.056 65 D HN 0.218 8.546 8.370 -0.070 0.000 0.499 66 G N 4.178 112.900 108.800 -0.129 0.000 3.141 66 G HA2 0.005 3.921 3.960 -0.074 0.000 0.218 66 G HA3 0.005 4.114 3.960 -0.073 -0.192 0.218 66 G C -0.672 174.163 174.900 -0.108 0.000 1.170 66 G CA -0.144 44.899 45.100 -0.094 0.000 0.769 66 G HN -0.008 8.459 8.290 -0.145 -0.265 0.546 67 N N 0.009 118.607 118.700 -0.171 0.000 2.684 67 N HA -0.010 4.680 4.740 -0.084 0.000 0.220 67 N C -0.350 174.920 175.510 -0.401 0.000 1.037 67 N CA 1.268 54.217 53.050 -0.168 0.000 0.975 67 N CB 2.631 41.036 38.487 -0.137 0.000 1.426 67 N HN -0.524 7.963 8.380 -0.196 -0.224 0.450 68 G N -2.518 105.878 108.800 -0.674 0.000 2.352 68 G HA2 -0.342 2.900 3.960 -1.285 0.000 0.204 68 G HA3 -0.342 1.877 3.960 -2.901 0.000 0.204 68 G C 0.254 174.510 174.900 -1.074 0.000 1.004 68 G CA 0.201 44.365 45.100 -1.559 0.000 0.648 68 G HN -0.261 8.203 8.290 -0.466 -0.453 0.491 69 H N 4.977 123.708 119.070 -0.565 0.000 2.319 69 H HA -0.363 4.191 4.556 -0.003 0.000 0.299 69 H C 0.919 176.207 175.328 -0.067 0.000 1.092 69 H CA 5.017 60.977 56.048 -0.147 0.000 1.302 69 H CB 0.337 30.069 29.762 -0.051 0.000 1.373 69 H HN -0.202 8.207 8.280 -0.241 -0.273 0.497 70 G N -2.609 106.199 108.800 0.014 0.000 2.422 70 G HA2 -0.326 3.695 3.960 0.025 0.000 0.218 70 G HA3 -0.326 3.800 3.960 0.007 -0.161 0.218 70 G C 1.281 176.155 174.900 -0.043 0.000 1.146 70 G CA 1.948 47.047 45.100 -0.002 0.000 0.769 70 G HN 0.066 8.365 8.290 0.014 0.000 0.547 71 T N 4.485 118.993 114.554 -0.076 0.000 2.788 71 T HA -0.398 3.995 4.350 0.071 0.000 0.268 71 T C 1.424 176.176 174.700 0.087 0.000 1.044 71 T CA 5.715 67.828 62.100 0.021 0.000 1.139 71 T CB -0.335 68.516 68.868 -0.028 0.000 0.867 71 T HN -0.557 7.828 8.240 -0.148 -0.235 0.454 72 H N 3.288 122.334 119.070 -0.040 0.000 2.321 72 H HA -0.139 4.621 4.556 0.054 -0.171 0.300 72 H C 2.315 177.614 175.328 -0.049 0.000 1.087 72 H CA 4.385 60.451 56.048 0.030 0.000 1.319 72 H CB 0.221 30.092 29.762 0.181 0.000 1.379 72 H HN -0.271 8.055 8.280 0.076 0.000 0.501 73 C N -1.246 118.071 119.300 0.029 0.000 2.432 73 C HA -0.366 4.077 4.460 -0.028 0.000 0.277 73 C C 2.028 176.989 174.990 -0.047 0.000 1.249 73 C CA 4.469 63.463 59.018 -0.040 0.000 1.725 73 C CB -1.961 25.728 27.740 -0.085 0.000 2.028 73 C HN -0.249 7.979 8.230 -0.004 0.000 0.477 74 A N -0.943 121.867 122.820 -0.016 0.000 1.940 74 A HA -0.290 3.998 4.320 -0.054 0.000 0.219 74 A C 1.888 179.550 177.584 0.130 0.000 1.176 74 A CA 3.148 55.178 52.037 -0.011 0.000 0.631 74 A CB -0.941 17.977 19.000 -0.138 0.000 0.814 74 A HN 0.159 8.303 8.150 -0.011 0.000 0.446 75 G N -2.545 106.349 108.800 0.157 0.000 2.422 75 G HA2 -0.336 3.719 3.960 0.158 0.000 0.218 75 G HA3 -0.336 3.554 3.960 -0.115 0.000 0.218 75 G C 1.896 176.736 174.900 -0.100 0.000 1.146 75 G CA 2.099 47.218 45.100 0.033 0.000 0.769 75 G HN -0.117 8.160 8.290 0.114 0.082 0.547 76 T N 5.254 119.688 114.554 -0.200 0.000 2.904 76 T HA -0.155 4.196 4.350 -0.350 -0.211 0.267 76 T C 1.789 176.321 174.700 -0.280 0.000 1.059 76 T CA 4.363 66.268 62.100 -0.325 0.000 1.137 76 T CB -0.112 68.499 68.868 -0.429 0.000 0.879 76 T HN -0.544 7.576 8.240 -0.199 0.000 0.467 77 V N 0.381 120.198 119.914 -0.162 0.000 2.261 77 V HA -0.264 3.902 4.120 -0.134 -0.127 0.246 77 V C 1.505 177.539 176.094 -0.101 0.000 1.047 77 V CA 4.403 66.632 62.300 -0.119 0.000 1.015 77 V CB -0.054 31.723 31.823 -0.075 0.000 0.642 77 V HN -0.409 7.707 8.190 -0.124 0.000 0.446 78 G N -6.235 102.536 108.800 -0.048 0.000 4.399 78 G HA2 0.249 4.351 3.960 -0.059 0.000 0.268 78 G HA3 0.249 4.198 3.960 -0.019 0.000 0.268 78 G C -1.829 173.095 174.900 0.040 0.000 1.038 78 G CA -0.249 44.838 45.100 -0.021 0.000 0.811 78 G HN -0.282 8.002 8.290 -0.010 0.000 0.408 79 S N 0.996 116.710 115.700 0.024 0.000 2.593 79 S HA 0.203 4.759 4.470 -0.044 -0.113 0.269 79 S C 1.421 175.930 174.600 -0.152 0.000 1.334 79 S CA -0.367 57.775 58.200 -0.097 0.000 1.015 79 S CB 1.977 65.014 63.200 -0.270 0.000 0.912 79 S HN -0.515 7.692 8.310 0.010 0.109 0.541 80 R N 0.898 121.294 120.500 -0.174 0.000 2.081 80 R HA -0.276 3.987 4.340 -0.128 0.000 0.235 80 R C 2.005 178.153 176.300 -0.253 0.000 1.131 80 R CA 3.196 59.196 56.100 -0.166 0.000 0.960 80 R CB -0.474 29.753 30.300 -0.122 0.000 0.856 80 R HN 0.260 8.421 8.270 -0.183 0.000 0.436 81 T N 0.634 114.927 114.554 -0.435 0.000 2.983 81 T HA -0.015 4.062 4.350 -0.456 0.000 0.250 81 T C 0.455 174.705 174.700 -0.750 0.000 1.037 81 T CA 4.005 65.694 62.100 -0.686 0.000 1.142 81 T CB 1.511 69.712 68.868 -1.112 0.000 0.876 81 T HN 0.045 8.369 8.240 -0.458 -0.359 0.455 82 Y N -2.601 117.573 120.300 -0.211 0.000 2.458 82 Y HA 0.102 4.511 4.550 -0.236 0.000 0.256 82 Y C -0.202 175.515 175.900 -0.306 0.000 1.159 82 Y CA -0.304 57.642 58.100 -0.256 0.000 1.261 82 Y CB 0.253 38.539 38.460 -0.290 0.000 1.119 82 Y HN -0.694 7.276 8.280 -0.516 0.000 0.524 83 G N -2.189 106.486 108.800 -0.208 0.000 2.410 83 G HA2 0.293 4.275 3.960 -0.242 0.000 0.330 83 G HA3 0.293 4.303 3.960 -0.170 -0.152 0.330 83 G C -0.483 174.253 174.900 -0.273 0.000 1.142 83 G CA -1.257 43.710 45.100 -0.222 0.000 0.902 83 G HN -0.555 7.550 8.290 -0.226 0.050 0.491 84 V N 2.966 122.712 119.914 -0.281 0.000 2.323 84 V HA -0.238 3.670 4.120 -0.355 0.000 0.244 84 V C 0.328 176.340 176.094 -0.137 0.000 1.041 84 V CA 3.351 65.503 62.300 -0.246 0.000 1.025 84 V CB 0.357 32.059 31.823 -0.202 0.000 0.656 84 V HN 0.016 8.042 8.190 -0.272 0.000 0.451 85 A N -1.709 121.050 122.820 -0.100 0.000 2.644 85 A HA 0.231 4.556 4.320 0.009 0.000 0.343 85 A C -0.811 176.736 177.584 -0.062 0.000 1.324 85 A CA -1.254 50.766 52.037 -0.029 0.000 0.846 85 A CB -0.734 18.282 19.000 0.027 0.000 1.128 85 A HN -0.105 7.980 8.150 -0.108 0.000 0.484 86 K N 3.351 123.687 120.400 -0.106 0.000 2.504 86 K HA -0.130 4.132 4.320 -0.096 0.000 0.195 86 K C 0.774 177.350 176.600 -0.040 0.000 1.036 86 K CA 1.997 58.226 56.287 -0.096 0.000 0.984 86 K CB -0.039 32.373 32.500 -0.147 0.000 0.788 86 K HN 0.520 8.681 8.250 -0.148 0.000 0.488 87 K N -4.481 115.906 120.400 -0.021 0.000 2.469 87 K HA 0.341 4.650 4.320 -0.018 0.000 0.204 87 K C -0.705 175.872 176.600 -0.039 0.000 1.047 87 K CA -1.013 55.264 56.287 -0.016 0.000 1.072 87 K CB 1.232 33.735 32.500 0.004 0.000 0.863 87 K HN -0.225 7.966 8.250 -0.013 0.051 0.530 88 T N 2.250 116.772 114.554 -0.054 0.000 2.813 88 T HA -0.099 4.334 4.350 -0.086 -0.135 0.297 88 T C -0.716 173.885 174.700 -0.164 0.000 1.036 88 T CA 0.665 62.708 62.100 -0.095 0.000 1.044 88 T CB 1.218 70.032 68.868 -0.089 0.000 0.993 88 T HN -0.707 7.505 8.240 -0.046 0.000 0.535 89 Q N 2.828 122.472 119.800 -0.259 0.000 2.256 89 Q HA 0.339 4.597 4.340 -0.368 -0.138 0.254 89 Q C -0.875 174.708 176.000 -0.694 0.000 0.916 89 Q CA -0.795 54.734 55.803 -0.457 0.000 0.932 89 Q CB 0.969 29.397 28.738 -0.517 0.000 1.207 89 Q HN -0.199 7.928 8.270 -0.239 0.000 0.426 90 L N 3.083 123.900 121.223 -0.677 0.000 2.307 90 L HA 0.664 4.863 4.340 -0.562 -0.197 0.284 90 L C -1.250 175.204 176.870 -0.693 0.000 1.023 90 L CA -0.959 53.513 54.840 -0.614 0.000 0.810 90 L CB 2.030 43.821 42.059 -0.447 0.000 1.231 90 L HN 0.313 8.207 8.230 -0.561 0.000 0.423 91 F N 1.474 121.226 119.950 -0.329 0.000 2.477 91 F HA 0.736 5.307 4.527 -0.247 -0.192 0.335 91 F C 0.071 175.782 175.800 -0.148 0.000 1.130 91 F CA -2.700 55.108 58.000 -0.321 0.000 0.948 91 F CB 2.897 41.484 39.000 -0.689 0.000 1.154 91 F HN 0.397 8.453 8.300 -0.406 0.000 0.439 92 G N 1.858 110.716 108.800 0.096 0.000 2.332 92 G HA2 0.537 4.689 3.960 0.065 0.000 0.310 92 G HA3 0.537 4.500 3.960 0.004 0.000 0.310 92 G C -2.292 172.676 174.900 0.114 0.000 1.123 92 G CA -1.183 43.957 45.100 0.066 0.000 0.873 92 G HN 0.772 9.114 8.290 0.087 0.000 0.460 93 V N 4.615 124.612 119.914 0.139 0.000 2.380 93 V HA 0.314 4.618 4.120 0.020 -0.172 0.286 93 V C -1.823 174.338 176.094 0.112 0.000 1.015 93 V CA -1.540 60.827 62.300 0.111 0.000 0.834 93 V CB 2.005 33.955 31.823 0.213 0.000 1.009 93 V HN 0.048 8.326 8.190 0.147 0.000 0.428 94 K N 8.803 129.256 120.400 0.087 0.000 2.206 94 K HA 0.318 4.922 4.320 0.116 -0.215 0.268 94 K C -0.239 176.570 176.600 0.349 0.000 1.111 94 K CA -1.227 55.150 56.287 0.150 0.000 0.955 94 K CB -0.251 32.306 32.500 0.094 0.000 1.406 94 K HN 0.419 8.683 8.250 0.023 0.000 0.427 95 V N 1.377 121.466 119.914 0.291 0.000 3.590 95 V HA 0.138 4.462 4.120 0.340 0.000 0.265 95 V C -1.064 175.226 176.094 0.326 0.000 1.239 95 V CA -0.057 62.414 62.300 0.285 0.000 1.117 95 V CB 0.546 32.419 31.823 0.085 0.000 0.818 95 V HN -0.262 8.051 8.190 0.203 0.000 0.451 96 L N 0.257 121.581 121.223 0.167 0.000 2.317 96 L HA 0.380 4.876 4.340 0.011 -0.149 0.281 96 L C -0.628 176.022 176.870 -0.366 0.000 1.024 96 L CA -1.703 53.117 54.840 -0.032 0.000 0.810 96 L CB 1.759 43.781 42.059 -0.062 0.000 1.240 96 L HN -0.641 7.666 8.230 0.129 0.000 0.427 97 D N 2.739 122.778 120.400 -0.601 0.000 2.380 97 D HA -0.085 3.776 4.640 -1.298 0.000 0.254 97 D C 0.937 176.989 176.300 -0.415 0.000 1.288 97 D CA -1.083 52.413 54.000 -0.842 0.000 1.008 97 D CB 0.468 40.864 40.800 -0.674 0.000 1.099 97 D HN 0.478 8.608 8.370 -0.399 0.000 0.537 98 D N -3.855 116.347 120.400 -0.329 0.000 2.363 98 D HA -0.160 4.363 4.640 -0.196 0.000 0.220 98 D C 0.083 176.308 176.300 -0.125 0.000 0.994 98 D CA 2.167 56.051 54.000 -0.192 0.000 0.890 98 D CB -0.462 40.258 40.800 -0.134 0.000 0.906 98 D HN 0.257 8.420 8.370 -0.345 0.000 0.530 99 N N -2.824 115.801 118.700 -0.127 0.000 2.398 99 N HA -0.090 4.613 4.740 -0.061 0.000 0.188 99 N C 0.584 176.030 175.510 -0.107 0.000 1.122 99 N CA 0.027 53.025 53.050 -0.087 0.000 0.866 99 N CB 0.505 38.953 38.487 -0.065 0.000 0.970 99 N HN -0.544 7.906 8.380 -0.151 -0.160 0.462 100 G N -0.757 107.954 108.800 -0.149 0.000 2.157 100 G HA2 -0.370 3.468 3.960 -0.203 0.000 0.248 100 G HA3 -0.370 3.475 3.960 -0.192 0.000 0.248 100 G C -0.925 173.877 174.900 -0.163 0.000 0.979 100 G CA 0.204 45.194 45.100 -0.182 0.000 0.650 100 G HN -0.000 8.074 8.290 -0.172 0.113 0.529 101 S N 1.189 116.811 115.700 -0.131 0.000 2.578 101 S HA 0.276 4.692 4.470 -0.091 0.000 0.301 101 S C -1.582 172.987 174.600 -0.052 0.000 1.091 101 S CA -0.929 57.217 58.200 -0.091 0.000 1.032 101 S CB 2.352 65.507 63.200 -0.075 0.000 1.064 101 S HN -0.481 7.969 8.310 -0.140 -0.224 0.508 102 G N -0.794 107.996 108.800 -0.017 0.000 2.742 102 G HA2 0.127 4.157 3.960 0.115 0.000 0.296 102 G HA3 0.127 4.277 3.960 0.088 -0.136 0.296 102 G C -1.733 173.168 174.900 0.001 0.000 1.436 102 G CA -0.133 45.001 45.100 0.056 0.000 0.928 102 G HN -0.093 8.172 8.290 -0.042 0.000 0.520 103 Q N 1.737 121.544 119.800 0.012 0.000 2.392 103 Q HA 0.044 4.336 4.340 -0.081 0.000 0.262 103 Q C 1.214 177.242 176.000 0.046 0.000 1.003 103 Q CA -0.325 55.464 55.803 -0.024 0.000 0.888 103 Q CB 0.870 29.598 28.738 -0.016 0.000 1.260 103 Q HN 0.386 8.683 8.270 0.046 0.000 0.435 104 Y N 2.433 122.703 120.300 -0.050 0.000 2.256 104 Y HA -0.405 4.106 4.550 -0.065 0.000 0.288 104 Y C 1.967 177.812 175.900 -0.092 0.000 1.155 104 Y CA 2.467 60.527 58.100 -0.066 0.000 1.203 104 Y CB -0.486 37.939 38.460 -0.059 0.000 0.980 104 Y HN 0.536 8.831 8.280 0.025 0.000 0.530 105 S N -2.725 113.014 115.700 0.065 0.000 2.382 105 S HA -0.389 4.064 4.470 -0.028 0.000 0.228 105 S C 2.235 176.758 174.600 -0.128 0.000 1.027 105 S CA 3.031 61.213 58.200 -0.030 0.000 0.991 105 S CB -0.528 62.652 63.200 -0.033 0.000 0.823 105 S HN 0.264 8.606 8.310 0.069 0.010 0.469 106 T N 5.457 119.906 114.554 -0.174 0.000 2.777 106 T HA -0.259 3.743 4.350 -0.581 0.000 0.266 106 T C 1.810 176.272 174.700 -0.397 0.000 1.040 106 T CA 4.111 65.965 62.100 -0.410 0.000 1.141 106 T CB -0.117 68.541 68.868 -0.349 0.000 0.868 106 T HN -0.753 7.419 8.240 -0.113 0.000 0.444 107 I N 1.736 122.217 120.570 -0.150 0.000 2.226 107 I HA -0.522 3.599 4.170 -0.082 0.000 0.245 107 I C 1.676 177.735 176.117 -0.096 0.000 1.100 107 I CA 4.365 65.621 61.300 -0.074 0.000 1.374 107 I CB -0.227 37.807 38.000 0.055 0.000 1.057 107 I HN -0.497 7.674 8.210 -0.065 0.000 0.413 108 I N -0.591 119.917 120.570 -0.103 0.000 2.179 108 I HA -0.603 3.512 4.170 -0.091 0.000 0.242 108 I C 1.527 177.593 176.117 -0.084 0.000 1.088 108 I CA 4.451 65.693 61.300 -0.097 0.000 1.357 108 I CB -0.328 37.614 38.000 -0.096 0.000 1.051 108 I HN -0.145 8.011 8.210 -0.090 0.000 0.409 109 A N -0.899 121.839 122.820 -0.138 0.000 1.940 109 A HA -0.341 3.974 4.320 -0.009 0.000 0.219 109 A C 2.032 179.637 177.584 0.035 0.000 1.176 109 A CA 3.099 55.087 52.037 -0.082 0.000 0.631 109 A CB -0.951 17.939 19.000 -0.183 0.000 0.814 109 A HN -0.348 7.688 8.150 -0.191 0.000 0.446 110 G N -2.410 106.346 108.800 -0.073 0.000 2.422 110 G HA2 -0.362 3.800 3.960 0.337 0.000 0.218 110 G HA3 -0.362 3.655 3.960 0.096 0.000 0.218 110 G C 1.314 176.311 174.900 0.160 0.000 1.146 110 G CA 1.781 46.970 45.100 0.147 0.000 0.769 110 G HN -0.199 7.946 8.290 -0.241 0.000 0.547 111 M N 1.693 121.324 119.600 0.052 0.000 2.099 111 M HA -0.439 4.050 4.480 0.013 0.000 0.262 111 M C 1.854 178.157 176.300 0.004 0.000 1.067 111 M CA 4.365 59.674 55.300 0.015 0.000 1.124 111 M CB -0.121 32.465 32.600 -0.023 0.000 1.353 111 M HN -0.513 7.783 8.290 0.009 0.000 0.410 112 D N -0.732 119.680 120.400 0.020 0.000 2.178 112 D HA -0.265 4.354 4.640 -0.034 0.000 0.201 112 D C 2.446 178.755 176.300 0.016 0.000 0.980 112 D CA 3.477 57.480 54.000 0.004 0.000 0.842 112 D CB -0.302 40.503 40.800 0.008 0.000 0.948 112 D HN -0.380 8.002 8.370 0.020 0.000 0.472 113 F N 1.709 121.643 119.950 -0.026 0.000 2.095 113 F HA -0.374 4.139 4.527 -0.024 0.000 0.298 113 F C 1.245 176.972 175.800 -0.122 0.000 1.104 113 F CA 3.441 61.425 58.000 -0.027 0.000 1.232 113 F CB 0.306 39.341 39.000 0.057 0.000 0.987 113 F HN -0.158 8.221 8.300 0.280 0.089 0.475 114 V N -0.930 118.893 119.914 -0.151 0.000 2.343 114 V HA -0.588 3.068 4.120 -0.772 0.000 0.247 114 V C 1.963 177.762 176.094 -0.492 0.000 1.051 114 V CA 4.151 66.128 62.300 -0.538 0.000 1.036 114 V CB -0.996 30.500 31.823 -0.545 0.000 0.654 114 V HN -0.447 7.774 8.190 0.052 0.000 0.451 115 A N -0.542 122.108 122.820 -0.284 0.000 1.940 115 A HA -0.310 3.893 4.320 -0.194 0.000 0.219 115 A C 1.945 179.399 177.584 -0.217 0.000 1.176 115 A CA 2.960 54.873 52.037 -0.206 0.000 0.631 115 A CB -0.732 18.192 19.000 -0.127 0.000 0.814 115 A HN -0.368 7.656 8.150 -0.211 0.000 0.446 116 S N -1.755 113.782 115.700 -0.271 0.000 2.371 116 S HA -0.218 4.139 4.470 -0.189 0.000 0.221 116 S C 2.152 176.551 174.600 -0.335 0.000 1.036 116 S CA 2.386 60.428 58.200 -0.263 0.000 0.965 116 S CB 0.080 63.133 63.200 -0.245 0.000 0.845 116 S HN -0.541 7.589 8.310 -0.293 0.004 0.475 117 D N 2.106 122.167 120.400 -0.566 0.000 2.218 117 D HA -0.190 4.326 4.640 -0.479 -0.163 0.204 117 D C 2.365 178.517 176.300 -0.247 0.000 0.976 117 D CA 2.760 56.428 54.000 -0.554 0.000 0.853 117 D CB 0.189 40.396 40.800 -0.989 0.000 0.939 117 D HN 0.083 8.017 8.370 -0.727 0.000 0.481 118 K N -1.786 118.505 120.400 -0.181 0.000 2.211 118 K HA -0.290 4.122 4.320 0.154 0.000 0.204 118 K C 2.146 178.729 176.600 -0.028 0.000 1.047 118 K CA 2.708 59.001 56.287 0.010 0.000 0.935 118 K CB -0.672 31.843 32.500 0.025 0.000 0.728 118 K HN -0.435 7.628 8.250 -0.277 0.021 0.452 119 N N -1.059 117.591 118.700 -0.084 0.000 2.550 119 N HA -0.086 4.630 4.740 -0.041 0.000 0.186 119 N C 0.803 176.273 175.510 -0.066 0.000 1.110 119 N CA 1.874 54.885 53.050 -0.065 0.000 0.912 119 N CB 0.117 38.559 38.487 -0.076 0.000 0.968 119 N HN -0.215 8.074 8.380 -0.122 0.018 0.448 120 N N -2.334 116.311 118.700 -0.092 0.000 2.280 120 N HA 0.009 4.707 4.740 -0.069 0.000 0.192 120 N C -1.017 174.443 175.510 -0.083 0.000 1.109 120 N CA 0.556 53.552 53.050 -0.090 0.000 0.855 120 N CB 0.738 39.153 38.487 -0.121 0.000 0.974 120 N HN -0.047 8.089 8.380 -0.117 0.174 0.482 121 R N -0.643 119.821 120.500 -0.060 0.000 2.854 121 R HA 0.261 4.584 4.340 -0.029 0.000 0.271 121 R C -1.374 174.958 176.300 0.054 0.000 0.996 121 R CA -2.063 54.024 56.100 -0.020 0.000 0.961 121 R CB 1.706 31.967 30.300 -0.066 0.000 1.182 121 R HN -0.660 7.433 8.270 -0.041 0.153 0.479 122 N N 1.999 120.754 118.700 0.091 0.000 2.462 122 N HA 0.022 4.793 4.740 0.052 0.000 0.242 122 N C -1.082 174.481 175.510 0.089 0.000 1.010 122 N CA 0.094 53.187 53.050 0.072 0.000 0.939 122 N CB 0.400 38.918 38.487 0.052 0.000 1.127 122 N HN 0.223 8.673 8.380 0.118 0.000 0.509 123 c N 2.896 121.542 118.600 0.075 0.000 3.465 123 c HA 0.476 5.189 4.570 0.058 -0.109 0.193 123 c C -1.036 173.077 174.090 0.039 0.000 1.515 123 c CA -2.419 53.953 56.329 0.070 0.000 1.340 123 c CB -1.734 40.847 42.510 0.119 0.000 1.928 123 c HN 0.656 8.923 8.230 0.062 0.000 0.510 124 P HA -0.141 4.285 4.420 0.010 0.000 0.222 124 P C -0.222 177.077 177.300 -0.000 0.000 1.147 124 P CA 1.663 64.769 63.100 0.009 0.000 0.790 124 P CB -0.059 31.643 31.700 0.002 0.000 0.780 125 K N -4.255 116.143 120.400 -0.004 0.000 2.404 125 K HA 0.192 4.499 4.320 -0.022 0.000 0.194 125 K C -0.067 176.529 176.600 -0.008 0.000 1.023 125 K CA -1.097 55.180 56.287 -0.016 0.000 1.094 125 K CB 0.582 33.064 32.500 -0.030 0.000 0.841 125 K HN -0.301 7.925 8.250 -0.001 0.024 0.523 126 G N -2.815 105.993 108.800 0.013 0.000 2.423 126 G HA2 -0.199 3.780 3.960 0.031 0.000 0.684 126 G HA3 -0.199 3.771 3.960 0.017 0.000 0.684 126 G C -2.855 172.079 174.900 0.057 0.000 1.309 126 G CA -0.653 44.464 45.100 0.028 0.000 0.950 126 G HN -0.439 7.711 8.290 0.021 0.153 0.587 127 V N -0.348 119.613 119.914 0.078 0.000 2.656 127 V HA 0.774 5.170 4.120 0.159 -0.182 0.307 127 V C -1.262 174.905 176.094 0.122 0.000 1.051 127 V CA -1.715 60.668 62.300 0.138 0.000 0.893 127 V CB 2.971 34.901 31.823 0.178 0.000 0.999 127 V HN 0.266 8.493 8.190 0.062 0.000 0.426 128 V N 4.945 124.952 119.914 0.156 0.000 2.914 128 V HA 0.591 4.929 4.120 0.100 -0.158 0.314 128 V C -2.202 174.006 176.094 0.190 0.000 1.084 128 V CA -2.357 60.020 62.300 0.128 0.000 0.963 128 V CB 4.105 35.981 31.823 0.089 0.000 1.025 128 V HN 0.458 8.761 8.190 0.188 0.000 0.432 129 A N 4.053 126.955 122.820 0.136 0.000 2.356 129 A HA 0.775 5.414 4.320 0.224 -0.185 0.310 129 A C -2.327 175.320 177.584 0.105 0.000 1.075 129 A CA -1.911 50.216 52.037 0.150 0.000 0.746 129 A CB 3.536 22.590 19.000 0.090 0.000 1.221 129 A HN 0.839 9.049 8.150 0.100 0.000 0.443 130 S N 2.356 118.122 115.700 0.109 0.000 2.456 130 S HA 0.709 5.366 4.470 0.070 -0.145 0.316 130 S C -1.560 173.091 174.600 0.086 0.000 1.089 130 S CA -2.028 56.220 58.200 0.080 0.000 1.101 130 S CB 1.250 64.485 63.200 0.060 0.000 0.995 130 S HN 0.494 8.885 8.310 0.134 0.000 0.468 131 L N 8.246 129.515 121.223 0.076 0.000 2.408 131 L HA 0.442 4.837 4.340 0.092 0.000 0.257 131 L C -1.309 175.615 176.870 0.090 0.000 1.053 131 L CA -0.690 54.198 54.840 0.081 0.000 0.922 131 L CB 0.953 43.049 42.059 0.061 0.000 1.261 131 L HN 0.282 8.553 8.230 0.068 0.000 0.458 132 S N 4.528 120.300 115.700 0.120 0.000 3.965 132 S HA 0.051 4.597 4.470 0.127 0.000 0.195 132 S C -0.937 173.777 174.600 0.189 0.000 1.449 132 S CA 0.127 58.423 58.200 0.160 0.000 0.965 132 S CB -1.113 62.192 63.200 0.176 0.000 1.459 132 S HN 0.418 8.803 8.310 0.126 0.000 0.476 133 L N -0.918 120.373 121.223 0.115 0.000 2.892 133 L HA 0.236 4.611 4.340 0.058 0.000 0.269 133 L C -0.935 175.989 176.870 0.090 0.000 1.058 133 L CA -0.425 54.465 54.840 0.083 0.000 0.923 133 L CB 0.883 42.989 42.059 0.080 0.000 1.518 133 L HN -0.766 7.484 8.230 0.100 0.040 0.402 134 G N -1.938 106.929 108.800 0.111 0.000 2.350 134 G HA2 0.097 4.201 3.960 0.239 0.000 0.304 134 G HA3 0.097 4.151 3.960 0.157 0.000 0.304 134 G C -2.772 172.252 174.900 0.206 0.000 1.421 134 G CA 0.179 45.388 45.100 0.182 0.000 0.934 134 G HN -0.067 nan 8.290 nan 0.000 0.632 135 G N -1.825 107.178 108.800 0.338 0.000 2.871 135 G HA2 0.125 4.223 3.960 0.231 0.000 0.282 135 G HA3 0.125 4.182 3.960 0.162 0.000 0.282 135 G C -1.909 173.233 174.900 0.402 0.000 1.212 135 G CA 0.234 45.508 45.100 0.289 0.000 0.812 135 G HN -0.079 8.462 8.290 0.418 0.000 0.547 136 G N -1.646 107.312 108.800 0.263 0.000 2.667 136 G HA2 -0.053 4.016 3.960 -0.026 0.000 0.250 136 G HA3 -0.053 3.954 3.960 0.078 0.000 0.250 136 G C -1.083 173.920 174.900 0.172 0.000 1.212 136 G CA -0.821 44.354 45.100 0.126 0.000 0.874 136 G HN -0.102 8.292 8.290 0.173 0.000 0.561 137 Y N 1.476 121.748 120.300 -0.046 0.000 2.810 137 Y HA -0.345 4.191 4.550 -0.023 0.000 0.332 137 Y C 1.186 177.095 175.900 0.015 0.000 1.243 137 Y CA 1.081 59.163 58.100 -0.030 0.000 1.537 137 Y CB 0.073 38.487 38.460 -0.077 0.000 1.265 137 Y HN -0.349 7.981 8.280 0.082 0.000 0.572 138 S N 7.387 122.600 115.700 -0.812 0.000 2.736 138 S HA 0.346 4.610 4.470 -0.343 0.000 0.285 138 S C 0.098 174.207 174.600 -0.818 0.000 1.163 138 S CA -1.236 56.605 58.200 -0.598 0.000 1.025 138 S CB 1.162 64.089 63.200 -0.456 0.000 1.030 138 S HN 0.308 nan 8.310 nan 0.000 0.486 139 S N 7.571 122.954 115.700 -0.529 0.000 2.399 139 S HA -0.228 4.024 4.470 -0.363 0.000 0.231 139 S C 1.841 176.306 174.600 -0.225 0.000 1.022 139 S CA 1.947 59.974 58.200 -0.288 0.000 0.983 139 S CB 0.256 63.451 63.200 -0.008 0.000 0.803 139 S HN 0.496 8.625 8.310 -0.301 0.000 0.480 140 S N 3.147 118.722 115.700 -0.209 0.000 2.368 140 S HA -0.234 4.159 4.470 -0.129 0.000 0.224 140 S C 1.843 176.303 174.600 -0.234 0.000 1.029 140 S CA 2.907 61.003 58.200 -0.173 0.000 0.988 140 S CB -0.156 62.968 63.200 -0.127 0.000 0.838 140 S HN -0.585 7.592 8.310 -0.203 0.012 0.462 141 V N 2.167 121.857 119.914 -0.374 0.000 2.343 141 V HA -0.442 3.469 4.120 -0.349 0.000 0.247 141 V C 1.614 177.534 176.094 -0.291 0.000 1.051 141 V CA 3.930 65.978 62.300 -0.420 0.000 1.036 141 V CB -0.385 30.978 31.823 -0.767 0.000 0.654 141 V HN -0.468 7.455 8.190 -0.445 0.000 0.451 142 N N -0.488 118.031 118.700 -0.302 0.000 2.120 142 N HA -0.322 4.320 4.740 -0.164 0.000 0.188 142 N C 2.194 177.629 175.510 -0.124 0.000 1.024 142 N CA 3.026 55.960 53.050 -0.194 0.000 0.852 142 N CB -0.797 37.578 38.487 -0.188 0.000 1.003 142 N HN -0.323 7.828 8.380 -0.382 0.000 0.424 143 S N 0.679 116.305 115.700 -0.123 0.000 2.382 143 S HA -0.357 4.076 4.470 -0.060 0.000 0.228 143 S C 1.544 176.099 174.600 -0.076 0.000 1.027 143 S CA 3.185 61.337 58.200 -0.080 0.000 0.991 143 S CB -0.358 62.799 63.200 -0.072 0.000 0.823 143 S HN -0.130 8.090 8.310 -0.149 0.000 0.469 144 A N 1.009 123.771 122.820 -0.097 0.000 1.902 144 A HA -0.303 3.976 4.320 -0.067 0.000 0.217 144 A C 1.494 179.037 177.584 -0.068 0.000 1.181 144 A CA 2.898 54.886 52.037 -0.081 0.000 0.623 144 A CB -0.703 18.239 19.000 -0.097 0.000 0.818 144 A HN -0.465 7.612 8.150 -0.122 0.000 0.443 145 A N -1.818 120.956 122.820 -0.076 0.000 1.930 145 A HA -0.230 4.063 4.320 -0.045 0.000 0.217 145 A C 1.689 179.250 177.584 -0.039 0.000 1.175 145 A CA 2.675 54.680 52.037 -0.053 0.000 0.627 145 A CB -0.506 18.462 19.000 -0.054 0.000 0.815 145 A HN -0.407 7.686 8.150 -0.096 0.000 0.443 146 A N -1.135 121.661 122.820 -0.040 0.000 1.902 146 A HA -0.181 4.127 4.320 -0.019 0.000 0.217 146 A C 2.130 179.697 177.584 -0.027 0.000 1.181 146 A CA 2.691 54.712 52.037 -0.027 0.000 0.623 146 A CB -0.554 18.431 19.000 -0.025 0.000 0.818 146 A HN -0.008 8.112 8.150 -0.050 0.000 0.443 147 R N -1.584 118.895 120.500 -0.035 0.000 2.081 147 R HA -0.319 4.002 4.340 -0.031 0.000 0.235 147 R C 2.317 178.594 176.300 -0.039 0.000 1.131 147 R CA 3.102 59.181 56.100 -0.036 0.000 0.960 147 R CB -0.129 30.147 30.300 -0.040 0.000 0.856 147 R HN -0.313 7.932 8.270 -0.041 0.000 0.436 148 L N -0.421 120.776 121.223 -0.043 0.000 2.012 148 L HA -0.300 4.002 4.340 -0.062 0.000 0.210 148 L C 1.729 178.578 176.870 -0.036 0.000 1.073 148 L CA 2.970 57.780 54.840 -0.050 0.000 0.748 148 L CB -0.399 41.629 42.059 -0.050 0.000 0.891 148 L HN -0.264 7.940 8.230 -0.043 0.000 0.431 149 Q N -0.679 119.107 119.800 -0.023 0.000 2.020 149 Q HA -0.285 4.302 4.340 -0.005 -0.251 0.202 149 Q C 2.878 178.871 176.000 -0.011 0.000 0.982 149 Q CA 2.401 58.198 55.803 -0.010 0.000 0.838 149 Q CB -0.434 28.302 28.738 -0.003 0.000 0.899 149 Q HN -0.340 7.916 8.270 -0.023 0.000 0.423 150 S N -0.931 114.760 115.700 -0.015 0.000 2.400 150 S HA -0.259 4.206 4.470 -0.008 0.000 0.232 150 S C 1.738 176.328 174.600 -0.018 0.000 1.025 150 S CA 2.453 60.645 58.200 -0.014 0.000 0.993 150 S CB -0.129 63.062 63.200 -0.015 0.000 0.808 150 S HN -0.157 8.142 8.310 -0.017 0.000 0.478 151 S N -1.908 113.776 115.700 -0.027 0.000 2.555 151 S HA -0.090 4.360 4.470 -0.032 0.000 0.230 151 S C 0.840 175.424 174.600 -0.027 0.000 0.978 151 S CA 0.740 58.920 58.200 -0.034 0.000 0.934 151 S CB 0.818 63.986 63.200 -0.053 0.000 0.766 151 S HN -0.512 7.756 8.310 -0.031 0.023 0.533 152 G N 1.133 109.923 108.800 -0.017 0.000 2.145 152 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.176 152 G HA3 -0.272 3.683 3.960 -0.007 0.000 0.176 152 G C -1.913 172.989 174.900 0.002 0.000 1.013 152 G CA -0.130 44.966 45.100 -0.007 0.000 0.689 152 G HN -0.395 7.831 8.290 -0.015 0.055 0.506 153 V N -1.002 118.911 119.914 -0.001 0.000 2.495 153 V HA 0.328 4.631 4.120 0.032 -0.163 0.298 153 V C -1.297 174.812 176.094 0.024 0.000 1.031 153 V CA -1.934 60.375 62.300 0.015 0.000 0.871 153 V CB 1.992 33.809 31.823 -0.010 0.000 0.988 153 V HN -0.884 7.301 8.190 -0.008 0.000 0.432 154 M N 8.387 128.012 119.600 0.041 0.000 2.266 154 M HA 0.052 4.554 4.480 0.037 0.000 0.340 154 M C -1.993 174.335 176.300 0.047 0.000 1.486 154 M CA -1.275 54.051 55.300 0.043 0.000 1.209 154 M CB -0.833 31.797 32.600 0.050 0.000 1.714 154 M HN 0.104 8.424 8.290 0.049 0.000 0.459 155 V N 9.181 129.117 119.914 0.036 0.000 2.383 155 V HA 0.346 4.653 4.120 0.042 -0.162 0.275 155 V C -1.821 174.297 176.094 0.039 0.000 1.036 155 V CA -0.857 61.464 62.300 0.035 0.000 0.889 155 V CB 0.224 32.057 31.823 0.018 0.000 0.985 155 V HN 0.327 8.846 8.190 0.031 -0.311 0.459 156 A N 8.903 131.751 122.820 0.046 0.000 2.303 156 A HA 0.847 5.375 4.320 0.040 -0.184 0.320 156 A C -2.054 175.555 177.584 0.043 0.000 1.192 156 A CA -1.956 50.108 52.037 0.045 0.000 0.821 156 A CB 2.928 21.960 19.000 0.053 0.000 1.188 156 A HN 0.745 8.927 8.150 0.052 0.000 0.492 157 V N -0.593 119.341 119.914 0.034 0.000 2.914 157 V HA 0.946 5.276 4.120 0.046 -0.182 0.314 157 V C -1.922 174.191 176.094 0.032 0.000 1.084 157 V CA -3.921 58.401 62.300 0.036 0.000 0.963 157 V CB 3.895 35.734 31.823 0.028 0.000 1.025 157 V HN 0.441 8.648 8.190 0.028 0.000 0.432 158 A N 2.876 125.723 122.820 0.045 0.000 2.440 158 A HA 0.199 4.541 4.320 0.038 0.000 0.251 158 A C -0.941 176.653 177.584 0.017 0.000 1.089 158 A CA -0.396 51.665 52.037 0.041 0.000 0.779 158 A CB 0.674 19.713 19.000 0.065 0.000 1.022 158 A HN -0.313 7.870 8.150 0.055 0.000 0.492 159 A N 2.998 125.812 122.820 -0.009 0.000 2.015 159 A HA -0.174 4.133 4.320 -0.021 0.000 0.219 159 A C 0.491 178.040 177.584 -0.059 0.000 1.163 159 A CA 1.111 53.127 52.037 -0.035 0.000 0.646 159 A CB -0.033 18.918 19.000 -0.082 0.000 0.806 159 A HN 0.315 8.457 8.150 -0.012 0.000 0.448 160 G N -3.662 105.109 108.800 -0.050 0.000 2.570 160 G HA2 -0.118 3.785 3.960 -0.096 0.000 0.686 160 G HA3 -0.118 3.669 3.960 -0.287 0.000 0.686 160 G C -2.743 172.119 174.900 -0.064 0.000 1.257 160 G CA -0.780 44.239 45.100 -0.135 0.000 0.846 160 G HN -0.530 nan 8.290 nan 0.000 0.627 161 N N -0.221 118.436 118.700 -0.072 0.000 2.467 161 N HA 0.242 5.307 4.740 0.286 -0.153 0.278 161 N C -0.915 174.621 175.510 0.044 0.000 1.306 161 N CA -0.340 52.764 53.050 0.088 0.000 0.905 161 N CB 0.504 38.980 38.487 -0.018 0.000 1.236 161 N HN 0.243 8.536 8.380 -0.145 0.000 0.509 162 N N -1.453 117.202 118.700 -0.075 0.000 2.236 162 N HA -0.018 4.722 4.740 -0.001 0.000 0.196 162 N C -0.124 175.416 175.510 0.050 0.000 1.114 162 N CA -0.126 52.892 53.050 -0.054 0.000 0.859 162 N CB 0.370 38.724 38.487 -0.222 0.000 0.982 162 N HN -0.343 7.942 8.380 -0.159 0.000 0.493 163 N N 0.769 119.529 118.700 0.101 0.000 2.707 163 N HA -0.374 4.704 4.740 0.250 -0.188 0.253 163 N C -0.693 174.949 175.510 0.220 0.000 0.998 163 N CA 0.798 53.969 53.050 0.201 0.000 0.751 163 N CB -1.258 37.349 38.487 0.199 0.000 0.920 163 N HN -0.315 8.134 8.380 0.115 0.000 0.539 164 A N -2.774 119.996 122.820 -0.084 0.000 2.564 164 A HA 0.203 4.479 4.320 -0.072 0.000 0.288 164 A C -2.322 174.790 177.584 -0.787 0.000 1.164 164 A CA -0.701 51.198 52.037 -0.230 0.000 0.712 164 A CB 2.459 21.501 19.000 0.069 0.000 1.303 164 A HN -0.341 nan 8.150 nan 0.000 0.418 165 D N -0.025 120.072 120.400 -0.505 0.000 2.417 165 D HA -0.019 4.427 4.640 -0.640 -0.190 0.250 165 D C 1.096 177.370 176.300 -0.044 0.000 1.166 165 D CA 0.092 53.876 54.000 -0.360 0.000 0.881 165 D CB 0.824 41.589 40.800 -0.060 0.000 1.164 165 D HN 0.336 8.571 8.370 -0.225 0.000 0.467 166 A N 7.254 130.050 122.820 -0.041 0.000 2.216 166 A HA -0.169 4.313 4.320 0.269 0.000 0.214 166 A C 1.342 179.035 177.584 0.182 0.000 1.160 166 A CA 2.007 54.123 52.037 0.132 0.000 0.725 166 A CB -0.126 18.895 19.000 0.036 0.000 0.784 166 A HN 0.616 8.692 8.150 -0.123 0.000 0.472 167 R N -3.417 117.141 120.500 0.096 0.000 2.200 167 R HA -0.335 4.057 4.340 0.087 0.000 0.234 167 R C 0.913 177.244 176.300 0.052 0.000 1.127 167 R CA 2.899 59.040 56.100 0.067 0.000 0.989 167 R CB -0.544 29.765 30.300 0.015 0.000 0.869 167 R HN -0.120 8.456 8.270 0.060 -0.270 0.459 168 N N -2.276 116.418 118.700 -0.010 0.000 2.276 168 N HA 0.045 4.703 4.740 -0.138 0.000 0.212 168 N C -1.695 173.509 175.510 -0.510 0.000 1.127 168 N CA 0.392 53.292 53.050 -0.250 0.000 0.834 168 N CB 1.084 39.335 38.487 -0.392 0.000 1.014 168 N HN -0.808 7.563 8.380 0.050 0.039 0.491 169 Y N -2.453 117.932 120.300 0.142 0.000 2.545 169 Y HA 0.363 5.128 4.550 0.133 -0.135 0.348 169 Y C -1.441 174.510 175.900 0.085 0.000 1.002 169 Y CA -1.004 57.164 58.100 0.114 0.000 1.039 169 Y CB 3.881 42.381 38.460 0.066 0.000 1.271 169 Y HN -0.513 7.827 8.280 0.210 0.066 0.467 170 S N -0.789 115.021 115.700 0.184 0.000 2.548 170 S HA 0.644 5.164 4.470 -0.005 -0.053 0.286 170 S C -2.146 172.471 174.600 0.028 0.000 1.098 170 S CA -2.362 55.837 58.200 -0.001 0.000 0.930 170 S CB 2.271 65.319 63.200 -0.255 0.000 1.070 170 S HN 0.199 8.659 8.310 0.249 0.000 0.480 171 P HA 0.341 4.893 4.420 -0.114 -0.200 0.249 171 P C 0.727 178.030 177.300 0.005 0.000 1.241 171 P CA 0.729 63.796 63.100 -0.054 0.000 0.781 171 P CB 0.474 32.140 31.700 -0.057 0.000 1.088 172 A N 1.824 124.677 122.820 0.055 0.000 1.927 172 A HA -0.310 4.035 4.320 0.041 0.000 0.220 172 A C 1.311 178.936 177.584 0.068 0.000 1.185 172 A CA 2.902 54.978 52.037 0.064 0.000 0.639 172 A CB -1.024 18.034 19.000 0.096 0.000 0.820 172 A HN 0.421 8.549 8.150 0.078 0.069 0.451 173 S N -4.564 111.195 115.700 0.098 0.000 2.603 173 S HA -0.118 4.415 4.470 0.105 0.000 0.220 173 S C 0.361 175.016 174.600 0.092 0.000 0.967 173 S CA -0.221 58.052 58.200 0.121 0.000 0.920 173 S CB 0.172 63.506 63.200 0.222 0.000 0.773 173 S HN -0.484 7.870 8.310 0.106 0.019 0.529 174 E N 4.389 124.614 120.200 0.043 0.000 2.328 174 E HA 0.140 4.512 4.350 0.036 0.000 0.265 174 E C -0.687 175.931 176.600 0.030 0.000 1.057 174 E CA -2.483 53.931 56.400 0.024 0.000 0.916 174 E CB 0.228 29.920 29.700 -0.014 0.000 0.993 174 E HN -0.612 7.718 8.360 0.024 0.045 0.446 175 P HA -0.080 4.361 4.420 0.034 0.000 0.218 175 P C -0.269 177.046 177.300 0.025 0.000 1.149 175 P CA 1.629 64.748 63.100 0.032 0.000 0.817 175 P CB 0.303 32.023 31.700 0.033 0.000 0.785 176 S N -4.466 111.245 115.700 0.019 0.000 2.562 176 S HA -0.093 4.389 4.470 0.020 0.000 0.221 176 S C 0.838 175.448 174.600 0.017 0.000 0.975 176 S CA 0.764 58.974 58.200 0.017 0.000 0.918 176 S CB 0.460 63.666 63.200 0.011 0.000 0.772 176 S HN -0.386 8.189 8.310 0.016 -0.256 0.531 177 V N -3.814 116.109 119.914 0.015 0.000 3.463 177 V HA 0.252 4.383 4.120 0.019 0.000 0.302 177 V C -0.630 175.478 176.094 0.023 0.000 1.097 177 V CA -3.243 59.068 62.300 0.017 0.000 1.003 177 V CB 1.798 33.627 31.823 0.011 0.000 1.229 177 V HN -0.840 7.316 8.190 0.014 0.042 0.444 178 c N 1.617 120.232 118.600 0.026 0.000 2.225 178 c HA 0.186 4.941 4.570 0.027 -0.169 0.323 178 c C -0.565 173.534 174.090 0.014 0.000 1.164 178 c CA -1.335 55.010 56.329 0.027 0.000 1.565 178 c CB -1.538 40.997 42.510 0.041 0.000 2.124 178 c HN 0.141 8.387 8.230 0.027 0.000 0.461 179 T N 11.815 126.369 114.554 -0.001 0.000 2.743 179 T HA 0.478 4.988 4.350 -0.010 -0.165 0.293 179 T C -1.072 173.585 174.700 -0.072 0.000 0.945 179 T CA 0.522 62.609 62.100 -0.022 0.000 1.030 179 T CB 0.793 69.651 68.868 -0.016 0.000 0.912 179 T HN 0.643 9.229 8.240 0.000 -0.345 0.483 180 V N 7.999 127.867 119.914 -0.078 0.000 2.357 180 V HA 0.569 4.792 4.120 -0.163 -0.200 0.284 180 V C -0.341 175.636 176.094 -0.196 0.000 1.018 180 V CA -1.627 60.600 62.300 -0.121 0.000 0.841 180 V CB 1.111 32.920 31.823 -0.024 0.000 0.991 180 V HN 0.318 8.479 8.190 -0.048 0.000 0.437 181 G N 6.136 114.638 108.800 -0.497 0.000 2.547 181 G HA2 0.474 4.283 3.960 -0.252 0.000 0.291 181 G HA3 0.474 3.730 3.960 -1.173 0.000 0.291 181 G C -2.798 172.051 174.900 -0.084 0.000 1.211 181 G CA -1.820 42.954 45.100 -0.543 0.000 0.950 181 G HN 0.423 8.279 8.290 -0.725 0.000 0.504 182 A N -1.639 121.324 122.820 0.238 0.000 2.350 182 A HA 1.184 5.887 4.320 0.277 -0.217 0.324 182 A C -0.947 176.845 177.584 0.346 0.000 1.118 182 A CA -2.258 49.964 52.037 0.308 0.000 0.783 182 A CB 2.979 22.163 19.000 0.306 0.000 1.236 182 A HN -0.153 8.146 8.150 0.247 0.000 0.457 183 S N 0.954 116.824 115.700 0.282 0.000 2.677 183 S HA 1.013 5.748 4.470 0.081 -0.216 0.304 183 S C -0.829 173.927 174.600 0.259 0.000 1.108 183 S CA -2.357 55.952 58.200 0.181 0.000 0.944 183 S CB 3.304 66.595 63.200 0.151 0.000 1.127 183 S HN 0.309 8.789 8.310 0.283 0.000 0.511 184 D N -0.208 120.253 120.400 0.103 0.000 2.494 184 D HA 0.463 5.173 4.640 0.116 0.000 0.259 184 D C 1.267 177.238 176.300 -0.548 0.000 1.109 184 D CA -2.225 51.741 54.000 -0.057 0.000 1.040 184 D CB 2.763 43.526 40.800 -0.061 0.000 1.175 184 D HN 0.098 8.482 8.370 0.024 0.000 0.584 185 R N -3.533 116.204 120.500 -1.272 0.000 2.280 185 R HA -0.226 2.783 4.340 -2.219 0.000 0.207 185 R C -0.281 175.417 176.300 -1.003 0.000 1.043 185 R CA 2.182 57.218 56.100 -1.774 0.000 1.006 185 R CB -0.592 28.474 30.300 -2.057 0.000 0.885 185 R HN 0.297 7.923 8.270 -1.073 0.000 0.467 186 Y N -3.560 116.508 120.300 -0.386 0.000 2.571 186 Y HA -0.038 4.395 4.550 -0.194 0.000 0.275 186 Y C -1.097 174.709 175.900 -0.157 0.000 1.179 186 Y CA -0.350 57.619 58.100 -0.219 0.000 1.242 186 Y CB -0.567 37.785 38.460 -0.179 0.000 1.126 186 Y HN -0.622 7.667 8.280 -0.315 -0.198 0.524 187 D N -3.586 116.768 120.400 -0.077 0.000 2.870 187 D HA -0.374 4.243 4.640 -0.038 0.000 0.228 187 D C -1.435 174.828 176.300 -0.063 0.000 1.147 187 D CA 1.886 55.857 54.000 -0.048 0.000 0.757 187 D CB -1.722 39.055 40.800 -0.038 0.000 1.091 187 D HN -0.264 7.944 8.370 -0.156 0.068 0.429 188 R N -2.496 117.971 120.500 -0.055 0.000 2.457 188 R HA 0.395 4.676 4.340 -0.098 0.000 0.284 188 R C 0.089 176.320 176.300 -0.115 0.000 1.024 188 R CA -1.019 55.031 56.100 -0.083 0.000 1.025 188 R CB 1.560 31.825 30.300 -0.059 0.000 1.063 188 R HN -0.455 8.049 8.270 -0.039 -0.258 0.493 189 R N 4.306 124.705 120.500 -0.168 0.000 2.537 189 R HA -0.330 3.904 4.340 -0.176 0.000 0.281 189 R C -0.202 176.016 176.300 -0.138 0.000 0.988 189 R CA 1.203 57.206 56.100 -0.161 0.000 1.077 189 R CB 0.350 30.562 30.300 -0.147 0.000 0.932 189 R HN -0.151 8.011 8.270 -0.181 0.000 0.409 190 S N 6.496 122.087 115.700 -0.181 0.000 2.558 190 S HA -0.042 4.239 4.470 -0.315 0.000 0.288 190 S C 1.972 176.248 174.600 -0.540 0.000 1.318 190 S CA 0.914 58.840 58.200 -0.457 0.000 1.056 190 S CB 0.674 63.354 63.200 -0.866 0.000 0.853 190 S HN 0.070 8.210 8.310 -0.101 0.109 0.505 191 S N 4.311 119.750 115.700 -0.436 0.000 2.400 191 S HA -0.302 4.102 4.470 -0.111 0.000 0.232 191 S C 1.065 175.602 174.600 -0.104 0.000 1.025 191 S CA 2.878 60.974 58.200 -0.172 0.000 0.993 191 S CB 0.046 63.237 63.200 -0.015 0.000 0.808 191 S HN 0.730 8.815 8.310 -0.375 0.000 0.478 192 F N -4.637 115.367 119.950 0.090 0.000 2.776 192 F HA 0.184 4.754 4.527 0.072 0.000 0.300 192 F C -0.570 175.284 175.800 0.089 0.000 1.116 192 F CA -2.162 55.885 58.000 0.078 0.000 1.375 192 F CB -0.836 38.197 39.000 0.054 0.000 1.109 192 F HN -0.506 7.189 8.300 -0.966 0.026 0.585 193 S N 2.731 118.362 115.700 -0.115 0.000 2.533 193 S HA -0.187 4.436 4.470 0.254 0.000 0.282 193 S C 0.018 174.725 174.600 0.178 0.000 1.304 193 S CA -0.221 58.048 58.200 0.115 0.000 1.063 193 S CB 0.669 63.932 63.200 0.105 0.000 0.881 193 S HN -0.459 7.442 8.310 -0.422 0.156 0.493 194 N N 7.113 125.862 118.700 0.081 0.000 2.326 194 N HA -0.011 4.746 4.740 -0.146 -0.106 0.239 194 N C -0.821 174.725 175.510 0.060 0.000 1.301 194 N CA 2.145 55.155 53.050 -0.066 0.000 0.909 194 N CB 1.073 39.452 38.487 -0.179 0.000 1.156 194 N HN -0.143 8.275 8.380 0.065 0.000 0.462 195 Y N -5.886 114.471 120.300 0.096 0.000 2.896 195 Y HA 0.131 4.757 4.550 0.126 0.000 0.317 195 Y C -2.043 173.917 175.900 0.101 0.000 1.444 195 Y CA -1.763 56.413 58.100 0.127 0.000 1.084 195 Y CB 1.546 40.108 38.460 0.171 0.000 1.382 195 Y HN 0.038 7.900 8.280 -0.697 0.000 0.471 196 G N -2.897 106.121 108.800 0.364 0.000 2.423 196 G HA2 -0.222 3.924 3.960 0.309 0.000 0.684 196 G HA3 -0.222 3.824 3.960 0.142 0.000 0.684 196 G C 0.141 175.129 174.900 0.147 0.000 1.309 196 G CA -0.378 44.862 45.100 0.234 0.000 0.950 196 G HN -0.197 8.361 8.290 0.446 0.000 0.587 197 S N -0.599 115.167 115.700 0.110 0.000 2.419 197 S HA -0.311 4.324 4.470 0.070 -0.124 0.235 197 S C 0.837 175.471 174.600 0.057 0.000 1.019 197 S CA 2.142 60.386 58.200 0.073 0.000 0.982 197 S CB -0.071 63.164 63.200 0.060 0.000 0.789 197 S HN 0.481 8.859 8.310 0.114 0.000 0.490 198 V N -0.660 119.286 119.914 0.053 0.000 3.041 198 V HA -0.029 4.114 4.120 0.038 0.000 0.260 198 V C -0.430 175.678 176.094 0.022 0.000 1.105 198 V CA -0.059 62.265 62.300 0.040 0.000 1.125 198 V CB 0.031 31.881 31.823 0.046 0.000 0.730 198 V HN -0.143 8.050 8.190 0.058 0.032 0.479 199 L N -1.241 119.990 121.223 0.013 0.000 2.490 199 L HA -0.262 4.037 4.340 -0.067 0.000 0.274 199 L C 0.321 177.184 176.870 -0.013 0.000 1.201 199 L CA 1.580 56.395 54.840 -0.041 0.000 0.869 199 L CB -0.066 41.932 42.059 -0.102 0.000 1.123 199 L HN -0.702 7.526 8.230 0.032 0.021 0.484 200 D N 1.471 121.853 120.400 -0.029 0.000 2.338 200 D HA 0.087 4.744 4.640 0.028 0.000 0.208 200 D C -0.359 175.958 176.300 0.027 0.000 0.997 200 D CA 2.117 56.124 54.000 0.011 0.000 0.880 200 D CB 2.844 43.656 40.800 0.019 0.000 0.980 200 D HN 0.164 8.502 8.370 -0.052 0.000 0.509 201 I N -5.128 115.426 120.570 -0.027 0.000 2.897 201 I HA 0.089 4.341 4.170 0.136 0.000 0.299 201 I C -2.970 173.083 176.117 -0.106 0.000 1.527 201 I CA -0.432 60.892 61.300 0.039 0.000 0.979 201 I CB 3.727 41.764 38.000 0.062 0.000 1.360 201 I HN -0.884 7.256 8.210 -0.116 0.000 0.495 202 F N 2.726 122.710 119.950 0.056 0.000 2.492 202 F HA 0.711 5.457 4.527 0.059 -0.183 0.327 202 F C -0.669 175.155 175.800 0.040 0.000 1.079 202 F CA -2.137 55.894 58.000 0.052 0.000 0.967 202 F CB 4.010 43.038 39.000 0.046 0.000 1.169 202 F HN 0.201 8.733 8.300 0.385 0.000 0.472 203 G N -0.830 108.081 108.800 0.184 0.000 2.680 203 G HA2 0.568 4.551 3.960 0.039 0.000 0.290 203 G HA3 0.568 4.534 3.960 0.011 0.000 0.290 203 G C -3.454 171.438 174.900 -0.013 0.000 1.355 203 G CA -2.347 42.782 45.100 0.048 0.000 0.903 203 G HN 0.478 8.872 8.290 0.173 0.000 0.474 204 P HA -0.137 4.424 4.420 0.030 -0.123 0.263 204 P C -1.053 176.167 177.300 -0.134 0.000 1.195 204 P CA 0.586 63.463 63.100 -0.372 0.000 0.762 204 P CB 0.018 30.970 31.700 -1.246 0.000 0.799 205 G N 2.263 111.187 108.800 0.206 0.000 3.040 205 G HA2 0.223 4.337 3.960 0.257 0.000 0.214 205 G HA3 0.223 4.393 3.960 0.351 0.000 0.214 205 G C -1.423 173.747 174.900 0.449 0.000 1.093 205 G CA 0.767 46.056 45.100 0.314 0.000 0.931 205 G HN 0.794 9.286 8.290 0.336 0.000 0.632 206 T N 4.552 119.415 114.554 0.515 0.000 2.767 206 T HA 0.138 4.775 4.350 0.479 0.000 0.284 206 T C -1.608 173.395 174.700 0.504 0.000 0.973 206 T CA 1.545 63.930 62.100 0.474 0.000 0.996 206 T CB 0.723 69.791 68.868 0.333 0.000 0.927 206 T HN -0.675 7.914 8.240 0.582 0.000 0.456 207 D N 3.776 124.387 120.400 0.352 0.000 2.848 207 D HA -0.373 4.391 4.640 0.207 0.000 0.245 207 D C -1.786 174.747 176.300 0.389 0.000 1.122 207 D CA 1.614 55.802 54.000 0.313 0.000 0.769 207 D CB -1.646 39.315 40.800 0.267 0.000 1.025 207 D HN 0.487 9.028 8.370 0.285 0.000 0.423 208 I N -0.633 120.093 120.570 0.259 0.000 2.312 208 I HA 0.167 4.386 4.170 0.083 0.000 0.290 208 I C -1.409 174.811 176.117 0.171 0.000 1.008 208 I CA -2.809 58.595 61.300 0.174 0.000 1.226 208 I CB -0.807 37.316 38.000 0.206 0.000 1.371 208 I HN 0.060 8.406 8.210 0.228 0.000 0.468 209 L N 9.417 130.670 121.223 0.050 0.000 2.331 209 L HA 0.071 4.568 4.340 -0.027 -0.174 0.278 209 L C -1.454 175.206 176.870 -0.350 0.000 1.106 209 L CA -0.235 54.559 54.840 -0.076 0.000 0.824 209 L CB 0.467 42.500 42.059 -0.044 0.000 1.142 209 L HN 0.405 8.658 8.230 0.039 0.000 0.443 210 S N 3.651 118.967 115.700 -0.641 0.000 2.727 210 S HA 0.218 4.067 4.470 -1.035 0.000 0.278 210 S C -1.668 172.460 174.600 -0.787 0.000 1.186 210 S CA -2.084 55.539 58.200 -0.961 0.000 0.836 210 S CB 1.201 63.686 63.200 -1.192 0.000 1.186 210 S HN 0.218 8.270 8.310 -0.429 0.000 0.499 211 T N -0.269 113.934 114.554 -0.585 0.000 2.855 211 T HA -0.036 4.250 4.350 -0.334 -0.136 0.314 211 T C -1.009 173.765 174.700 0.123 0.000 1.077 211 T CA 0.658 62.556 62.100 -0.336 0.000 1.095 211 T CB 0.523 69.028 68.868 -0.604 0.000 0.987 211 T HN 0.175 8.089 8.240 -0.543 0.000 0.546 212 W N 0.882 122.181 121.300 -0.003 0.000 3.047 212 W HA 0.302 5.025 4.660 0.106 0.000 0.341 212 W C -1.063 175.556 176.519 0.168 0.000 1.225 212 W CA -1.230 56.173 57.345 0.097 0.000 1.150 212 W CB 4.495 34.001 29.460 0.077 0.000 1.470 212 W HN 0.095 8.392 8.180 0.332 0.082 0.578 213 I N -4.081 116.392 120.570 -0.163 0.000 3.060 213 I HA -0.336 4.086 4.170 0.034 -0.232 0.285 213 I C -0.280 175.909 176.117 0.120 0.000 1.190 213 I CA 1.241 62.513 61.300 -0.048 0.000 1.363 213 I CB -0.038 37.832 38.000 -0.216 0.000 1.396 213 I HN 0.096 7.815 8.210 -0.818 0.000 0.607 214 G N 1.013 109.851 108.800 0.063 0.000 2.198 214 G HA2 -0.331 3.642 3.960 0.021 0.000 0.260 214 G HA3 -0.331 3.674 3.960 0.074 0.000 0.260 214 G C 0.353 175.250 174.900 -0.006 0.000 1.025 214 G CA 0.039 45.167 45.100 0.046 0.000 0.769 214 G HN 0.123 8.760 8.290 0.035 -0.326 0.507 215 G N -1.092 107.650 108.800 -0.097 0.000 2.221 215 G HA2 -0.415 2.904 3.960 -1.068 0.000 0.265 215 G HA3 -0.415 3.311 3.960 -0.390 0.000 0.265 215 G C -0.952 173.822 174.900 -0.209 0.000 1.041 215 G CA 0.446 45.269 45.100 -0.462 0.000 0.807 215 G HN -0.090 8.427 8.290 -0.033 -0.247 0.502 216 S N -1.173 114.619 115.700 0.153 0.000 2.801 216 S HA 0.214 4.760 4.470 0.127 0.000 0.312 216 S C -1.419 173.352 174.600 0.284 0.000 1.112 216 S CA -0.994 57.328 58.200 0.204 0.000 0.943 216 S CB 2.069 65.383 63.200 0.190 0.000 1.269 216 S HN -0.534 7.923 8.310 0.245 0.000 0.558 217 T N -4.530 110.098 114.554 0.123 0.000 2.883 217 T HA 0.717 5.194 4.350 -0.006 -0.131 0.301 217 T C -1.335 173.321 174.700 -0.073 0.000 1.158 217 T CA -1.142 60.943 62.100 -0.025 0.000 1.007 217 T CB 3.174 71.919 68.868 -0.205 0.000 1.186 217 T HN 0.028 8.317 8.240 0.082 0.000 0.499 218 R N -0.828 119.605 120.500 -0.111 0.000 2.728 218 R HA 0.330 4.575 4.340 -0.159 0.000 0.274 218 R C -2.353 173.912 176.300 -0.058 0.000 1.030 218 R CA -1.002 54.991 56.100 -0.178 0.000 0.876 218 R CB 2.586 32.619 30.300 -0.445 0.000 1.259 218 R HN 0.399 8.627 8.270 -0.070 0.000 0.468 219 S N 2.437 118.090 115.700 -0.080 0.000 2.437 219 S HA 0.791 5.479 4.470 0.115 -0.148 0.305 219 S C -0.316 174.229 174.600 -0.091 0.000 1.109 219 S CA -0.668 57.536 58.200 0.006 0.000 1.099 219 S CB 0.661 63.876 63.200 0.026 0.000 1.004 219 S HN 0.246 8.484 8.310 -0.121 0.000 0.475 220 I N 0.423 120.927 120.570 -0.110 0.000 3.264 220 I HA 0.560 4.649 4.170 -0.134 0.000 0.315 220 I C -2.217 173.868 176.117 -0.053 0.000 1.154 220 I CA -1.865 59.328 61.300 -0.179 0.000 0.962 220 I CB 3.835 41.620 38.000 -0.360 0.000 1.265 220 I HN -0.149 8.038 8.210 -0.038 0.000 0.463 221 S N 0.596 116.259 115.700 -0.061 0.000 2.548 221 S HA 0.927 5.653 4.470 0.135 -0.175 0.286 221 S C -0.515 173.971 174.600 -0.191 0.000 1.098 221 S CA -1.453 56.755 58.200 0.012 0.000 0.930 221 S CB 2.829 66.085 63.200 0.094 0.000 1.070 221 S HN 0.077 8.320 8.310 -0.113 0.000 0.480 222 G N 1.368 110.120 108.800 -0.081 0.000 2.347 222 G HA2 0.039 3.492 3.960 -0.845 0.000 0.303 222 G HA3 0.039 3.877 3.960 -0.205 0.000 0.303 222 G C 0.384 175.420 174.900 0.227 0.000 1.481 222 G CA 0.536 45.496 45.100 -0.233 0.000 0.914 222 G HN 0.451 8.868 8.290 0.211 0.000 0.638 223 T N -2.339 112.383 114.554 0.280 0.000 2.977 223 T HA -0.224 4.284 4.350 0.265 0.000 0.271 223 T C 1.560 176.347 174.700 0.144 0.000 1.105 223 T CA 3.462 65.699 62.100 0.229 0.000 1.116 223 T CB -0.126 68.844 68.868 0.170 0.000 0.878 223 T HN 0.264 9.003 8.240 0.249 -0.350 0.509 224 S N 2.094 117.867 115.700 0.122 0.000 2.419 224 S HA -0.156 4.386 4.470 0.121 0.000 0.235 224 S C 1.497 176.143 174.600 0.076 0.000 1.019 224 S CA 3.587 61.856 58.200 0.114 0.000 0.982 224 S CB -0.770 62.546 63.200 0.192 0.000 0.789 224 S HN 0.199 8.554 8.310 0.106 0.018 0.490 225 M N 0.210 119.880 119.600 0.117 0.000 2.394 225 M HA -0.116 4.445 4.480 0.135 0.000 0.266 225 M C 1.506 177.954 176.300 0.247 0.000 1.098 225 M CA 1.732 57.130 55.300 0.163 0.000 1.149 225 M CB -0.630 32.089 32.600 0.199 0.000 1.369 225 M HN -0.360 7.864 8.290 0.131 0.145 0.450 226 A N 0.735 123.686 122.820 0.219 0.000 1.898 226 A HA -0.080 4.551 4.320 0.217 -0.181 0.216 226 A C 1.885 179.574 177.584 0.176 0.000 1.181 226 A CA 3.010 55.167 52.037 0.200 0.000 0.620 226 A CB -0.850 18.238 19.000 0.146 0.000 0.819 226 A HN -0.565 7.705 8.150 0.201 0.000 0.442 227 T N -0.427 114.200 114.554 0.122 0.000 2.635 227 T HA -0.263 4.132 4.350 0.074 0.000 0.267 227 T C -0.780 173.964 174.700 0.074 0.000 1.040 227 T CA 6.436 68.586 62.100 0.084 0.000 1.156 227 T CB -2.023 66.888 68.868 0.071 0.000 0.863 227 T HN -0.477 7.835 8.240 0.119 0.000 0.430 228 P HA 0.078 4.496 4.420 -0.004 0.000 0.223 228 P C 1.828 179.094 177.300 -0.057 0.000 1.151 228 P CA 2.596 65.683 63.100 -0.021 0.000 0.787 228 P CB -0.341 31.315 31.700 -0.072 0.000 0.788 229 H N -1.049 117.992 119.070 -0.047 0.000 2.321 229 H HA -0.256 4.233 4.556 -0.112 0.000 0.300 229 H C 2.408 177.717 175.328 -0.031 0.000 1.087 229 H CA 4.942 60.944 56.048 -0.076 0.000 1.319 229 H CB -0.427 29.276 29.762 -0.099 0.000 1.379 229 H HN -0.695 7.666 8.280 0.135 0.000 0.501 230 V N -1.163 118.831 119.914 0.133 0.000 2.358 230 V HA -0.476 3.711 4.120 0.110 0.000 0.246 230 V C 1.390 177.532 176.094 0.081 0.000 1.047 230 V CA 3.571 65.932 62.300 0.101 0.000 1.035 230 V CB -0.988 30.888 31.823 0.089 0.000 0.658 230 V HN -0.745 7.531 8.190 0.143 0.000 0.452 231 A N -0.167 122.689 122.820 0.060 0.000 1.877 231 A HA -0.221 4.136 4.320 0.061 0.000 0.216 231 A C 2.151 179.761 177.584 0.043 0.000 1.186 231 A CA 3.120 55.188 52.037 0.051 0.000 0.620 231 A CB -0.594 18.430 19.000 0.040 0.000 0.822 231 A HN 0.000 8.184 8.150 0.056 0.000 0.443 232 G N -1.990 106.817 108.800 0.013 0.000 2.422 232 G HA2 -0.278 3.685 3.960 0.005 0.000 0.218 232 G HA3 -0.278 3.658 3.960 -0.040 0.000 0.218 232 G C 0.905 175.841 174.900 0.061 0.000 1.146 232 G CA 1.722 46.824 45.100 0.003 0.000 0.769 232 G HN -0.163 8.124 8.290 -0.006 0.000 0.547 233 L N 2.183 123.449 121.223 0.072 0.000 2.046 233 L HA -0.339 4.074 4.340 0.122 0.000 0.208 233 L C 1.350 178.337 176.870 0.195 0.000 1.077 233 L CA 2.643 57.562 54.840 0.131 0.000 0.747 233 L CB -0.389 41.743 42.059 0.122 0.000 0.896 233 L HN -0.363 7.903 8.230 0.060 0.000 0.432 234 A N -1.459 121.443 122.820 0.137 0.000 1.883 234 A HA -0.478 3.916 4.320 0.124 0.000 0.217 234 A C 1.488 179.127 177.584 0.092 0.000 1.186 234 A CA 3.249 55.355 52.037 0.113 0.000 0.624 234 A CB -1.022 18.031 19.000 0.088 0.000 0.822 234 A HN -0.046 8.173 8.150 0.115 0.000 0.444 235 A N -1.060 121.813 122.820 0.088 0.000 1.908 235 A HA -0.348 3.995 4.320 0.038 0.000 0.218 235 A C 1.383 179.014 177.584 0.078 0.000 1.181 235 A CA 2.820 54.895 52.037 0.062 0.000 0.627 235 A CB -0.714 18.312 19.000 0.042 0.000 0.818 235 A HN -0.451 7.751 8.150 0.086 0.000 0.445 236 Y N -0.280 120.018 120.300 -0.003 0.000 2.128 236 Y HA -0.393 4.153 4.550 -0.007 0.000 0.284 236 Y C 1.826 177.726 175.900 -0.000 0.000 1.154 236 Y CA 3.511 61.612 58.100 0.002 0.000 1.149 236 Y CB 0.019 38.493 38.460 0.024 0.000 0.976 236 Y HN -0.602 7.837 8.280 0.265 0.000 0.505 237 L N -2.956 118.298 121.223 0.051 0.000 2.156 237 L HA -0.466 3.752 4.340 -0.204 0.000 0.208 237 L C 1.733 178.499 176.870 -0.172 0.000 1.095 237 L CA 2.513 57.298 54.840 -0.092 0.000 0.770 237 L CB -0.170 41.904 42.059 0.025 0.000 0.914 237 L HN -0.358 8.000 8.230 0.214 0.000 0.439 238 M N -0.745 118.793 119.600 -0.104 0.000 2.132 238 M HA -0.300 4.269 4.480 -0.121 -0.162 0.263 238 M C 3.371 179.606 176.300 -0.108 0.000 1.065 238 M CA 3.801 59.042 55.300 -0.099 0.000 1.122 238 M CB 0.175 32.747 32.600 -0.046 0.000 1.365 238 M HN -0.010 8.250 8.290 -0.050 0.000 0.411 239 T N 1.891 116.376 114.554 -0.115 0.000 2.759 239 T HA -0.275 4.023 4.350 -0.087 0.000 0.269 239 T C 2.171 176.777 174.700 -0.156 0.000 1.042 239 T CA 4.069 66.097 62.100 -0.121 0.000 1.140 239 T CB -0.017 68.782 68.868 -0.115 0.000 0.864 239 T HN -0.262 7.916 8.240 -0.103 0.000 0.455 240 L N -1.305 119.777 121.223 -0.236 0.000 2.465 240 L HA -0.105 4.125 4.340 -0.183 0.000 0.224 240 L C 0.465 177.248 176.870 -0.145 0.000 1.145 240 L CA -0.058 54.655 54.840 -0.213 0.000 0.834 240 L CB -0.263 41.620 42.059 -0.293 0.000 0.944 240 L HN -0.211 nan 8.230 nan 0.000 0.451 241 G N -2.450 106.265 108.800 -0.141 0.000 2.143 241 G HA2 -0.359 3.537 3.960 -0.107 0.000 0.249 241 G HA3 -0.359 3.546 3.960 -0.092 0.000 0.249 241 G C 0.342 175.155 174.900 -0.145 0.000 0.981 241 G CA 0.516 45.546 45.100 -0.116 0.000 0.665 241 G HN -0.456 7.571 8.290 -0.149 0.174 0.528 242 K N -1.764 118.507 120.400 -0.216 0.000 2.296 242 K HA -0.029 4.172 4.320 -0.198 0.000 0.200 242 K C -0.215 176.084 176.600 -0.502 0.000 1.048 242 K CA 1.077 57.173 56.287 -0.317 0.000 0.966 242 K CB 0.738 33.020 32.500 -0.363 0.000 0.754 242 K HN -0.182 7.897 8.250 -0.225 0.036 0.466 243 T N -3.718 110.590 114.554 -0.411 0.000 2.665 243 T HA 0.197 4.396 4.350 -0.252 0.000 0.303 243 T C -1.933 172.671 174.700 -0.159 0.000 1.334 243 T CA -1.159 60.744 62.100 -0.328 0.000 1.011 243 T CB 1.625 70.187 68.868 -0.510 0.000 1.573 243 T HN -0.792 7.229 8.240 -0.322 0.026 0.492 244 T N -1.779 112.722 114.554 -0.088 0.000 2.888 244 T HA 0.454 4.776 4.350 -0.047 0.000 0.288 244 T C -0.197 174.494 174.700 -0.014 0.000 1.063 244 T CA -2.825 59.249 62.100 -0.043 0.000 1.010 244 T CB 3.443 72.297 68.868 -0.025 0.000 1.214 244 T HN -0.154 8.043 8.240 -0.072 0.000 0.533 245 A N 1.376 124.196 122.820 -0.001 0.000 1.940 245 A HA -0.254 4.079 4.320 0.021 0.000 0.219 245 A C 1.526 179.122 177.584 0.020 0.000 1.176 245 A CA 2.840 54.886 52.037 0.015 0.000 0.631 245 A CB -0.626 18.386 19.000 0.018 0.000 0.814 245 A HN 0.521 8.670 8.150 -0.003 0.000 0.446 246 A N -3.668 119.161 122.820 0.015 0.000 2.015 246 A HA -0.188 4.144 4.320 0.020 0.000 0.219 246 A C 0.458 178.061 177.584 0.032 0.000 1.163 246 A CA 2.108 54.157 52.037 0.020 0.000 0.646 246 A CB 0.207 19.215 19.000 0.014 0.000 0.806 246 A HN -0.054 8.089 8.150 0.010 0.012 0.448 247 S N -4.736 110.985 115.700 0.036 0.000 2.559 247 S HA 0.238 4.747 4.470 0.064 0.000 0.226 247 S C 1.497 176.154 174.600 0.096 0.000 1.000 247 S CA -0.279 57.958 58.200 0.061 0.000 0.948 247 S CB 1.348 64.582 63.200 0.056 0.000 0.870 247 S HN -0.726 7.464 8.310 0.025 0.134 0.497 248 A N 3.307 126.172 122.820 0.075 0.000 1.930 248 A HA -0.150 4.241 4.320 0.120 0.000 0.217 248 A C 1.041 178.720 177.584 0.158 0.000 1.175 248 A CA 3.109 55.211 52.037 0.108 0.000 0.627 248 A CB -1.142 17.898 19.000 0.066 0.000 0.815 248 A HN -0.182 8.001 8.150 0.054 0.000 0.443 249 c N -1.929 116.738 118.600 0.112 0.000 2.432 249 c HA -0.329 4.305 4.570 0.108 0.000 0.277 249 c C 1.890 176.047 174.090 0.112 0.000 1.249 249 c CA 2.403 58.794 56.329 0.103 0.000 1.725 249 c CB -2.157 40.396 42.510 0.071 0.000 2.028 249 c HN 0.408 8.692 8.230 0.090 0.000 0.477 250 R N -0.957 119.609 120.500 0.110 0.000 2.081 250 R HA -0.396 3.990 4.340 0.076 0.000 0.235 250 R C 1.680 178.052 176.300 0.121 0.000 1.131 250 R CA 3.538 59.697 56.100 0.099 0.000 0.960 250 R CB -0.291 30.062 30.300 0.089 0.000 0.856 250 R HN -0.175 8.157 8.270 0.104 0.000 0.436 251 Y N 0.636 120.965 120.300 0.048 0.000 2.181 251 Y HA -0.286 4.294 4.550 0.050 0.000 0.288 251 Y C 1.924 177.865 175.900 0.068 0.000 1.146 251 Y CA 3.383 61.515 58.100 0.053 0.000 1.164 251 Y CB 0.066 38.555 38.460 0.048 0.000 0.982 251 Y HN -0.368 8.086 8.280 0.289 0.000 0.515 252 I N -1.147 119.551 120.570 0.213 0.000 2.226 252 I HA -0.578 3.678 4.170 0.144 0.000 0.245 252 I C 1.808 177.961 176.117 0.060 0.000 1.100 252 I CA 3.663 65.049 61.300 0.144 0.000 1.374 252 I CB 0.219 38.328 38.000 0.180 0.000 1.057 252 I HN -0.065 8.312 8.210 0.278 0.000 0.413 253 A N -1.350 121.506 122.820 0.060 0.000 1.902 253 A HA -0.341 4.019 4.320 0.066 0.000 0.217 253 A C 2.664 180.252 177.584 0.007 0.000 1.181 253 A CA 3.022 55.087 52.037 0.048 0.000 0.623 253 A CB -0.738 18.293 19.000 0.052 0.000 0.818 253 A HN -0.244 7.951 8.150 0.076 0.000 0.443 254 D N -2.574 117.800 120.400 -0.044 0.000 2.149 254 D HA -0.213 4.403 4.640 -0.040 0.000 0.198 254 D C 1.586 177.824 176.300 -0.104 0.000 0.990 254 D CA 2.974 56.924 54.000 -0.083 0.000 0.839 254 D CB -0.211 40.501 40.800 -0.146 0.000 0.948 254 D HN 0.076 8.419 8.370 -0.045 0.000 0.460 255 T N -7.005 107.450 114.554 -0.164 0.000 3.105 255 T HA 0.047 4.353 4.350 -0.073 0.000 0.253 255 T C -0.362 174.394 174.700 0.094 0.000 1.047 255 T CA -1.008 61.026 62.100 -0.109 0.000 0.944 255 T CB 0.468 69.147 68.868 -0.314 0.000 1.016 255 T HN -0.562 7.539 8.240 -0.193 0.023 0.544 256 A N 1.465 124.342 122.820 0.095 0.000 2.406 256 A HA -0.204 4.318 4.320 0.236 -0.061 0.243 256 A C -0.381 177.288 177.584 0.142 0.000 1.082 256 A CA 0.020 52.156 52.037 0.164 0.000 0.786 256 A CB 1.050 20.121 19.000 0.117 0.000 1.029 256 A HN -0.887 7.235 8.150 0.049 0.057 0.495 257 N N 0.894 119.648 118.700 0.090 0.000 2.468 257 N HA -0.143 4.555 4.740 -0.071 0.000 0.265 257 N C -0.753 174.756 175.510 -0.002 0.000 1.199 257 N CA 1.229 54.255 53.050 -0.040 0.000 0.928 257 N CB 0.746 39.151 38.487 -0.136 0.000 1.059 257 N HN -0.126 8.331 8.380 0.128 0.000 0.467 258 K N 3.408 123.800 120.400 -0.012 0.000 2.206 258 K HA 0.291 4.791 4.320 0.006 -0.176 0.264 258 K C 0.442 177.028 176.600 -0.023 0.000 0.967 258 K CA -0.655 55.629 56.287 -0.005 0.000 0.844 258 K CB 1.255 33.755 32.500 0.001 0.000 1.099 258 K HN 0.149 8.385 8.250 -0.024 0.000 0.441 259 G N 5.993 114.777 108.800 -0.028 0.000 2.148 259 G HA2 -0.304 3.756 3.960 -0.042 0.000 0.254 259 G HA3 -0.304 3.638 3.960 -0.031 0.000 0.254 259 G C -0.201 174.670 174.900 -0.048 0.000 0.981 259 G CA 1.109 46.186 45.100 -0.038 0.000 0.670 259 G HN 0.580 8.855 8.290 -0.024 0.000 0.528 260 D N -0.743 119.623 120.400 -0.055 0.000 2.289 260 D HA -0.064 4.546 4.640 -0.051 0.000 0.207 260 D C 1.146 177.402 176.300 -0.074 0.000 0.966 260 D CA 0.745 54.710 54.000 -0.058 0.000 0.868 260 D CB 0.168 40.935 40.800 -0.055 0.000 0.943 260 D HN 0.029 8.330 8.370 -0.053 0.038 0.514 261 L N 0.088 121.245 121.223 -0.110 0.000 2.357 261 L HA 0.268 4.529 4.340 -0.132 0.000 0.273 261 L C 0.312 177.097 176.870 -0.142 0.000 1.080 261 L CA -0.804 53.941 54.840 -0.159 0.000 0.803 261 L CB 1.527 43.406 42.059 -0.300 0.000 1.174 261 L HN -0.687 nan 8.230 nan 0.000 0.443 262 S N 0.991 116.613 115.700 -0.131 0.000 2.681 262 S HA 0.154 4.567 4.470 -0.095 0.000 0.299 262 S C -0.426 174.097 174.600 -0.128 0.000 1.113 262 S CA -0.779 57.356 58.200 -0.107 0.000 1.013 262 S CB 2.378 65.532 63.200 -0.077 0.000 1.076 262 S HN 0.384 8.617 8.310 -0.128 0.000 0.534 263 N N -0.649 117.990 118.700 -0.101 0.000 2.735 263 N HA -0.297 4.391 4.740 -0.086 0.000 0.248 263 N C -2.201 173.232 175.510 -0.127 0.000 1.083 263 N CA 0.681 53.670 53.050 -0.102 0.000 0.703 263 N CB -0.858 37.573 38.487 -0.094 0.000 1.005 263 N HN 0.527 8.857 8.380 -0.083 0.000 0.550 264 I N -1.628 118.864 120.570 -0.130 0.000 2.312 264 I HA 0.207 4.305 4.170 -0.121 0.000 0.291 264 I C -2.075 174.000 176.117 -0.071 0.000 1.031 264 I CA -3.981 57.247 61.300 -0.121 0.000 1.293 264 I CB -1.104 36.805 38.000 -0.150 0.000 1.403 264 I HN -0.044 8.070 8.210 -0.120 0.024 0.484 265 P HA 0.045 4.428 4.420 -0.061 0.000 0.269 265 P C -0.872 176.457 177.300 0.048 0.000 1.209 265 P CA -0.905 62.146 63.100 -0.081 0.000 0.776 265 P CB 0.764 32.286 31.700 -0.296 0.000 0.876 266 F N 3.461 123.383 119.950 -0.046 0.000 2.604 266 F HA -0.411 4.113 4.527 -0.006 0.000 0.393 266 F C 0.784 176.599 175.800 0.025 0.000 1.043 266 F CA 1.918 59.913 58.000 -0.009 0.000 1.227 266 F CB 0.573 39.567 39.000 -0.011 0.000 1.016 266 F HN -0.045 8.412 8.300 0.262 0.000 0.556 267 G N 7.532 116.124 108.800 -0.346 0.000 2.194 267 G HA2 -0.259 3.545 3.960 -0.259 0.000 0.236 267 G HA3 -0.259 3.681 3.960 -0.032 0.000 0.236 267 G C -1.099 173.789 174.900 -0.020 0.000 0.987 267 G CA -0.303 44.702 45.100 -0.159 0.000 0.635 267 G HN 0.395 8.334 8.290 -0.586 0.000 0.520 268 T N 3.033 117.600 114.554 0.023 0.000 2.829 268 T HA 0.364 4.796 4.350 0.136 0.000 0.282 268 T C 0.037 174.796 174.700 0.098 0.000 0.990 268 T CA 0.071 62.245 62.100 0.123 0.000 1.028 268 T CB 1.953 70.960 68.868 0.232 0.000 0.951 268 T HN -0.560 7.621 8.240 -0.001 0.058 0.460 269 V N 1.139 121.140 119.914 0.144 0.000 2.788 269 V HA -0.086 4.070 4.120 0.060 0.000 0.307 269 V C -0.613 175.582 176.094 0.168 0.000 1.069 269 V CA 0.063 62.441 62.300 0.130 0.000 1.173 269 V CB 0.524 32.430 31.823 0.138 0.000 0.925 269 V HN 0.008 8.291 8.190 0.155 0.000 0.492 270 N N 6.630 125.367 118.700 0.062 0.000 3.194 270 N HA 0.275 4.978 4.740 -0.061 0.000 0.271 270 N C -2.124 173.406 175.510 0.033 0.000 1.308 270 N CA -0.761 52.285 53.050 -0.006 0.000 1.042 270 N CB -0.179 38.277 38.487 -0.053 0.000 1.310 270 N HN 0.326 8.727 8.380 0.035 0.000 0.502 271 L N 1.173 122.471 121.223 0.126 0.000 2.438 271 L HA 0.615 5.198 4.340 0.086 -0.191 0.270 271 L C -2.446 174.544 176.870 0.199 0.000 0.972 271 L CA -1.183 53.739 54.840 0.137 0.000 0.831 271 L CB 3.821 45.964 42.059 0.140 0.000 1.273 271 L HN -0.353 8.010 8.230 0.220 0.000 0.405 272 L N 3.775 125.080 121.223 0.137 0.000 2.349 272 L HA 0.616 5.244 4.340 0.211 -0.161 0.278 272 L C -1.996 174.971 176.870 0.161 0.000 0.996 272 L CA -2.215 52.717 54.840 0.152 0.000 0.825 272 L CB 4.423 46.533 42.059 0.085 0.000 1.243 272 L HN 0.237 8.528 8.230 0.101 0.000 0.412 273 A N 7.027 129.947 122.820 0.167 0.000 2.565 273 A HA -0.070 4.358 4.320 0.181 0.000 0.237 273 A C -2.161 175.572 177.584 0.248 0.000 1.053 273 A CA 1.149 53.292 52.037 0.177 0.000 0.755 273 A CB 0.655 19.736 19.000 0.135 0.000 0.980 273 A HN 0.231 8.479 8.150 0.162 0.000 0.506 274 Y N 3.748 124.106 120.300 0.097 0.000 2.442 274 Y HA 0.384 5.212 4.550 0.112 -0.211 0.330 274 Y C -1.455 174.537 175.900 0.153 0.000 1.100 274 Y CA -1.630 56.538 58.100 0.112 0.000 1.034 274 Y CB 4.022 42.538 38.460 0.094 0.000 1.285 274 Y HN 0.118 8.560 8.280 0.270 0.000 0.440 275 N N 4.692 123.296 118.700 -0.160 0.000 2.467 275 N HA -0.123 4.646 4.740 0.049 0.000 0.184 275 N C -0.055 175.296 175.510 -0.264 0.000 1.106 275 N CA 0.146 53.138 53.050 -0.097 0.000 0.892 275 N CB 0.626 39.110 38.487 -0.005 0.000 0.969 275 N HN 0.307 8.668 8.380 -0.031 0.000 0.454 276 N N -1.721 116.335 118.700 -1.073 0.000 2.710 276 N HA -0.442 3.695 4.740 -1.006 0.000 0.249 276 N C -1.611 173.831 175.510 -0.113 0.000 1.059 276 N CA 0.975 53.606 53.050 -0.699 0.000 0.720 276 N CB -1.305 37.004 38.487 -0.297 0.000 0.983 276 N HN -0.152 6.847 8.380 -2.231 0.042 0.544 277 Y N -0.062 120.169 120.300 -0.114 0.000 2.393 277 Y HA -0.170 4.416 4.550 0.059 0.000 0.338 277 Y C -0.828 175.087 175.900 0.024 0.000 1.029 277 Y CA 0.973 59.094 58.100 0.035 0.000 1.239 277 Y CB 0.557 39.081 38.460 0.106 0.000 1.170 277 Y HN -0.561 8.024 8.280 0.069 -0.263 0.515 278 Q N 6.457 125.906 119.800 -0.585 0.000 2.357 278 Q HA 0.272 4.353 4.340 -0.431 0.000 0.266 278 Q C -0.387 175.102 176.000 -0.851 0.000 1.021 278 Q CA -1.277 54.201 55.803 -0.542 0.000 0.784 278 Q CB 0.554 29.143 28.738 -0.248 0.000 1.243 278 Q HN 0.401 8.368 8.270 -0.505 0.000 0.465 279 A N 0.000 122.346 122.820 -0.790 0.000 2.254 279 A HA 0.000 4.001 4.320 -0.531 0.000 0.244 279 A CA 0.000 51.747 52.037 -0.483 0.000 0.836 279 A CB 0.000 18.848 19.000 -0.253 0.000 0.831 279 A HN 0.000 7.748 8.150 -0.670 0.000 0.486