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 1o2z_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.186 4.170 0.027 0.000 0.288 16 I C 0.000 176.109 176.117 -0.013 0.000 1.063 16 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 16 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 17 V N 6.275 126.193 119.914 0.006 0.000 2.435 17 V HA 0.248 4.498 4.120 -0.016 -0.140 0.290 17 V C 0.447 176.543 176.094 0.003 0.000 1.030 17 V CA -1.502 60.797 62.300 -0.001 0.000 0.881 17 V CB 1.021 32.849 31.823 0.007 0.000 0.983 17 V HN 0.808 9.015 8.190 0.028 0.000 0.445 18 G N 6.837 115.634 108.800 -0.006 0.000 2.147 18 G HA2 -0.383 3.572 3.960 -0.009 0.000 0.244 18 G HA3 -0.383 3.742 3.960 -0.023 -0.179 0.244 18 G C -0.677 174.234 174.900 0.018 0.000 1.005 18 G CA 0.349 45.444 45.100 -0.008 0.000 0.713 18 G HN 0.747 9.031 8.290 -0.010 0.000 0.515 19 G N -1.009 107.799 108.800 0.013 0.000 2.671 19 G HA2 0.519 4.533 3.960 0.100 0.000 0.275 19 G HA3 0.519 4.499 3.960 -0.096 -0.079 0.275 19 G C -1.700 173.244 174.900 0.074 0.000 1.368 19 G CA -1.043 44.064 45.100 0.012 0.000 1.044 19 G HN -0.659 7.589 8.290 -0.009 0.036 0.543 20 Y N -6.054 114.225 120.300 -0.033 0.000 2.638 20 Y HA 0.388 4.920 4.550 -0.030 0.000 0.339 20 Y C -1.881 173.992 175.900 -0.046 0.000 1.084 20 Y CA -2.778 55.301 58.100 -0.034 0.000 1.068 20 Y CB 1.139 39.582 38.460 -0.028 0.000 1.294 20 Y HN 0.279 8.201 8.280 -0.597 0.000 0.480 21 T N 2.280 116.883 114.554 0.081 0.000 2.834 21 T HA 0.127 4.545 4.350 -0.118 -0.138 0.298 21 T C 0.236 174.959 174.700 0.038 0.000 0.966 21 T CA 0.819 62.912 62.100 -0.012 0.000 1.141 21 T CB 0.080 68.969 68.868 0.035 0.000 0.905 21 T HN -0.008 8.338 8.240 0.178 0.000 0.535 22 c N 6.090 124.616 118.600 -0.124 0.000 2.446 22 c HA -0.077 4.498 4.570 0.009 0.000 0.277 22 c C 0.311 174.412 174.090 0.020 0.000 1.275 22 c CA 0.659 56.946 56.329 -0.071 0.000 1.727 22 c CB 0.242 42.637 42.510 -0.192 0.000 2.010 22 c HN -0.085 8.018 8.230 -0.210 0.000 0.486 23 G N -1.733 107.064 108.800 -0.005 0.000 2.906 23 G HA2 -0.184 3.789 3.960 0.021 0.000 0.686 23 G HA3 -0.184 3.792 3.960 0.026 0.000 0.686 23 G C -1.821 173.076 174.900 -0.005 0.000 1.170 23 G CA -0.751 44.357 45.100 0.013 0.000 0.775 23 G HN -0.339 7.931 8.290 -0.034 0.000 0.630 24 A N 3.741 126.567 122.820 0.010 0.000 2.540 24 A HA -0.206 4.358 4.320 0.021 -0.231 0.239 24 A C -0.239 177.348 177.584 0.006 0.000 1.061 24 A CA 0.964 53.012 52.037 0.017 0.000 0.758 24 A CB 0.136 19.155 19.000 0.031 0.000 0.991 24 A HN 0.326 8.487 8.150 0.018 0.000 0.502 25 N N -2.986 115.715 118.700 0.002 0.000 2.681 25 N HA -0.396 4.334 4.740 -0.016 0.000 0.250 25 N C 0.602 176.092 175.510 -0.034 0.000 1.133 25 N CA 1.813 54.856 53.050 -0.012 0.000 0.732 25 N CB -1.039 37.453 38.487 0.009 0.000 1.107 25 N HN 0.568 8.957 8.380 0.015 0.000 0.559 26 T N -3.387 111.138 114.554 -0.048 0.000 3.113 26 T HA -0.027 4.313 4.350 -0.015 0.000 0.256 26 T C 0.018 174.665 174.700 -0.088 0.000 1.131 26 T CA 2.200 64.277 62.100 -0.039 0.000 1.074 26 T CB 0.400 69.259 68.868 -0.015 0.000 0.944 26 T HN -0.497 7.669 8.240 -0.051 0.043 0.516 27 V N 2.423 122.226 119.914 -0.185 0.000 2.313 27 V HA 0.372 4.245 4.120 -0.412 0.000 0.262 27 V C -1.514 174.292 176.094 -0.479 0.000 1.011 27 V CA -3.317 58.726 62.300 -0.428 0.000 0.858 27 V CB 0.777 32.310 31.823 -0.485 0.000 1.104 27 V HN -0.515 7.510 8.190 -0.157 0.070 0.456 28 P HA 0.086 4.569 4.420 -0.078 -0.109 0.229 28 P C 0.200 177.464 177.300 -0.060 0.000 1.160 28 P CA 1.554 64.592 63.100 -0.104 0.000 0.777 28 P CB 0.153 31.860 31.700 0.011 0.000 0.814 29 Y N -5.584 114.742 120.300 0.044 0.000 2.482 29 Y HA 0.448 5.180 4.550 0.058 -0.147 0.270 29 Y C -0.560 175.379 175.900 0.064 0.000 1.152 29 Y CA -2.984 55.147 58.100 0.052 0.000 1.292 29 Y CB -1.382 37.104 38.460 0.044 0.000 1.070 29 Y HN -0.367 7.447 8.280 -0.693 0.050 0.528 30 Q N 2.445 122.123 119.800 -0.205 0.000 2.332 30 Q HA 0.232 4.759 4.340 0.091 -0.132 0.263 30 Q C -0.308 175.776 176.000 0.141 0.000 0.979 30 Q CA 0.227 56.018 55.803 -0.020 0.000 0.885 30 Q CB 1.294 29.921 28.738 -0.186 0.000 1.218 30 Q HN -0.728 7.200 8.270 -0.486 0.050 0.405 31 V N 0.289 120.323 119.914 0.201 0.000 3.040 31 V HA 0.795 5.160 4.120 0.198 -0.126 0.312 31 V C -2.122 174.118 176.094 0.243 0.000 1.115 31 V CA -2.843 59.569 62.300 0.188 0.000 0.998 31 V CB 4.142 36.023 31.823 0.097 0.000 1.042 31 V HN 0.421 8.725 8.190 0.190 0.000 0.433 32 S N 0.865 116.614 115.700 0.082 0.000 2.472 32 S HA 0.448 5.148 4.470 0.199 -0.110 0.303 32 S C -1.098 173.377 174.600 -0.209 0.000 1.099 32 S CA -2.284 55.901 58.200 -0.025 0.000 1.077 32 S CB 1.676 64.658 63.200 -0.364 0.000 1.031 32 S HN -0.075 8.243 8.310 0.014 0.000 0.487 33 L N 6.848 127.805 121.223 -0.444 0.000 2.272 33 L HA 0.499 4.746 4.340 -0.366 -0.126 0.289 33 L C -1.614 174.832 176.870 -0.706 0.000 1.032 33 L CA -0.805 53.658 54.840 -0.629 0.000 0.810 33 L CB 0.952 42.375 42.059 -1.060 0.000 1.205 33 L HN 0.823 8.727 8.230 -0.544 0.000 0.422 38 G N 0.868 109.567 108.800 -0.169 0.000 2.195 38 G HA2 -0.243 3.700 3.960 -0.029 0.000 0.224 38 G HA3 -0.243 3.766 3.960 0.081 0.000 0.224 38 G C -1.746 173.234 174.900 0.132 0.000 0.990 38 G CA 0.321 45.423 45.100 0.003 0.000 0.639 38 G HN 0.219 8.695 8.290 -0.196 -0.304 0.514 39 Y N -6.867 113.401 120.300 -0.054 0.000 2.662 39 Y HA 0.205 4.714 4.550 -0.070 0.000 0.334 39 Y C -2.735 173.160 175.900 -0.009 0.000 1.185 39 Y CA -3.893 54.179 58.100 -0.047 0.000 1.074 39 Y CB 0.828 39.258 38.460 -0.050 0.000 1.330 39 Y HN -1.246 6.841 8.280 -0.348 -0.016 0.458 40 H N 2.809 121.844 119.070 -0.059 0.000 2.803 40 H HA -0.014 4.521 4.556 -0.299 -0.159 0.330 40 H C -0.455 174.861 175.328 -0.020 0.000 1.057 40 H CA 0.046 55.987 56.048 -0.179 0.000 1.458 40 H CB 0.487 30.118 29.762 -0.219 0.000 1.470 40 H HN 0.316 8.695 8.280 0.165 0.000 0.560 41 F N 1.714 121.198 119.950 -0.777 0.000 2.856 41 F HA 0.306 4.722 4.527 -0.186 0.000 0.338 41 F C -1.586 173.950 175.800 -0.441 0.000 1.005 41 F CA -0.560 57.178 58.000 -0.436 0.000 1.155 41 F CB 1.742 40.535 39.000 -0.346 0.000 1.010 41 F HN 0.237 7.821 8.300 -1.193 0.000 0.587 42 c N -2.007 115.873 118.600 -1.200 0.000 3.321 42 c HA 0.358 4.910 4.570 -0.234 -0.123 0.329 42 c C -1.524 172.324 174.090 -0.403 0.000 1.394 42 c CA -0.259 55.719 56.329 -0.586 0.000 1.291 42 c CB 4.163 46.380 42.510 -0.489 0.000 1.606 42 c HN -0.800 6.402 8.230 -1.715 0.000 0.463 43 G N -0.992 107.775 108.800 -0.054 0.000 2.552 43 G HA2 0.813 5.058 3.960 0.221 0.000 0.318 43 G HA3 0.813 4.891 3.960 0.196 0.000 0.318 43 G C -2.494 172.420 174.900 0.024 0.000 1.240 43 G CA -1.625 43.546 45.100 0.118 0.000 1.002 43 G HN 0.814 9.083 8.290 -0.035 0.000 0.493 44 G N -4.056 104.796 108.800 0.087 0.000 2.576 44 G HA2 0.517 4.795 3.960 0.063 0.000 0.290 44 G HA3 0.517 4.504 3.960 0.045 0.000 0.290 44 G C -2.983 171.998 174.900 0.134 0.000 1.442 44 G CA 0.285 45.430 45.100 0.075 0.000 0.792 44 G HN -0.514 8.008 8.290 0.148 -0.142 0.491 45 S N 0.053 115.839 115.700 0.142 0.000 2.561 45 S HA 0.734 5.541 4.470 0.256 -0.184 0.303 45 S C -1.028 173.674 174.600 0.170 0.000 1.110 45 S CA -0.798 57.519 58.200 0.195 0.000 1.034 45 S CB 3.310 66.617 63.200 0.177 0.000 1.010 45 S HN 0.559 8.940 8.310 0.118 0.000 0.482 46 L N 7.379 128.718 121.223 0.193 0.000 2.433 46 L HA 0.013 4.556 4.340 0.148 -0.114 0.275 46 L C -0.689 176.268 176.870 0.145 0.000 1.128 46 L CA 0.305 55.242 54.840 0.162 0.000 0.875 46 L CB 0.450 42.604 42.059 0.158 0.000 1.171 46 L HN 0.655 8.921 8.230 0.240 0.108 0.463 47 I N 0.388 121.040 120.570 0.137 0.000 4.035 47 I HA 0.407 4.621 4.170 0.073 0.000 0.321 47 I C -0.845 175.332 176.117 0.100 0.000 1.289 47 I CA -0.371 60.987 61.300 0.098 0.000 1.236 47 I CB 0.895 38.941 38.000 0.077 0.000 1.076 47 I HN 0.204 8.512 8.210 0.163 0.000 0.418 48 N N -1.313 117.470 118.700 0.140 0.000 3.106 48 N HA 0.104 4.902 4.740 0.096 0.000 0.253 48 N C -0.408 175.183 175.510 0.136 0.000 1.506 48 N CA -0.770 52.359 53.050 0.131 0.000 0.876 48 N CB 1.287 39.863 38.487 0.148 0.000 1.452 48 N HN -0.772 7.709 8.380 0.169 0.000 0.542 49 S N -3.520 112.247 115.700 0.111 0.000 2.547 49 S HA -0.252 4.264 4.470 0.075 0.000 0.235 49 S C 0.398 175.035 174.600 0.063 0.000 0.980 49 S CA 2.405 60.653 58.200 0.081 0.000 0.941 49 S CB -0.334 62.902 63.200 0.059 0.000 0.763 49 S HN 0.487 8.860 8.310 0.104 0.000 0.532 50 Q N -0.690 119.166 119.800 0.093 0.000 2.140 50 Q HA 0.339 4.633 4.340 -0.078 0.000 0.227 50 Q C -2.154 173.751 176.000 -0.157 0.000 0.798 50 Q CA -0.350 55.421 55.803 -0.054 0.000 0.987 50 Q CB 2.733 31.414 28.738 -0.096 0.000 1.161 50 Q HN 0.158 8.824 8.270 0.184 -0.285 0.480 51 W N -2.336 118.973 121.300 0.013 0.000 2.936 51 W HA 0.719 5.574 4.660 0.011 -0.189 0.338 51 W C -1.294 175.240 176.519 0.025 0.000 1.121 51 W CA -1.110 56.242 57.345 0.012 0.000 1.209 51 W CB 3.907 33.364 29.460 -0.004 0.000 1.420 51 W HN -0.467 7.980 8.180 0.276 -0.102 0.516 52 V N 0.447 120.528 119.914 0.277 0.000 2.876 52 V HA 0.672 5.080 4.120 0.173 -0.185 0.312 52 V C -1.544 174.664 176.094 0.190 0.000 1.085 52 V CA -1.587 60.823 62.300 0.183 0.000 0.945 52 V CB 3.898 35.787 31.823 0.111 0.000 1.017 52 V HN 0.748 9.126 8.190 0.314 0.000 0.428 53 V N 5.469 125.471 119.914 0.148 0.000 2.581 53 V HA 0.842 5.240 4.120 0.156 -0.185 0.303 53 V C -1.171 174.979 176.094 0.094 0.000 1.041 53 V CA -1.459 60.920 62.300 0.132 0.000 0.907 53 V CB 2.511 34.404 31.823 0.117 0.000 0.994 53 V HN 0.387 8.659 8.190 0.136 0.000 0.442 54 S N 3.588 119.329 115.700 0.069 0.000 2.929 54 S HA 0.544 5.252 4.470 0.027 -0.222 0.311 54 S C -2.147 172.444 174.600 -0.015 0.000 1.213 54 S CA -2.328 55.884 58.200 0.020 0.000 0.908 54 S CB 2.298 65.499 63.200 0.001 0.000 1.287 54 S HN 0.644 9.004 8.310 0.082 0.000 0.594 55 A N -0.639 122.135 122.820 -0.077 0.000 2.305 55 A HA 0.487 4.907 4.320 -0.109 -0.165 0.322 55 A C 0.570 178.036 177.584 -0.196 0.000 1.187 55 A CA -1.646 50.307 52.037 -0.140 0.000 0.825 55 A CB 1.534 20.412 19.000 -0.203 0.000 1.164 55 A HN 0.215 8.309 8.150 -0.093 0.000 0.498 56 A N 4.982 127.626 122.820 -0.293 0.000 1.948 56 A HA -0.325 3.838 4.320 -0.262 0.000 0.220 56 A C 1.129 178.485 177.584 -0.381 0.000 1.177 56 A CA 2.984 54.725 52.037 -0.493 0.000 0.636 56 A CB -0.360 17.909 19.000 -1.219 0.000 0.815 56 A HN 0.674 8.646 8.150 -0.280 0.010 0.449 57 H N -5.145 113.763 119.070 -0.271 0.000 2.563 57 H HA -0.060 4.524 4.556 0.048 0.000 0.272 57 H C 0.026 175.403 175.328 0.082 0.000 1.005 57 H CA 1.252 57.301 56.048 0.002 0.000 1.171 57 H CB -1.155 28.677 29.762 0.116 0.000 1.351 57 H HN -0.040 8.425 8.280 -0.183 -0.294 0.602 58 c N -1.876 116.656 118.600 -0.113 0.000 2.906 58 c HA 0.070 4.713 4.570 0.122 0.000 0.274 58 c C 0.158 174.342 174.090 0.157 0.000 1.257 58 c CA -0.134 56.222 56.329 0.045 0.000 1.695 58 c CB -1.282 41.209 42.510 -0.031 0.000 1.958 58 c HN -0.148 7.786 8.230 -0.175 0.191 0.619 59 Y N 3.030 123.334 120.300 0.007 0.000 2.578 59 Y HA -0.228 4.346 4.550 0.040 0.000 0.339 59 Y C -1.162 174.724 175.900 -0.024 0.000 1.231 59 Y CA 2.082 60.188 58.100 0.010 0.000 1.461 59 Y CB 1.006 39.456 38.460 -0.015 0.000 1.323 59 Y HN -0.499 7.700 8.280 0.162 0.179 0.590 60 K N 5.241 124.840 120.400 -1.335 0.000 2.809 60 K HA 0.169 3.976 4.320 -0.855 0.000 0.293 60 K C -2.390 173.659 176.600 -0.919 0.000 1.061 60 K CA -0.769 54.932 56.287 -0.975 0.000 0.837 60 K CB 2.023 34.174 32.500 -0.581 0.000 1.524 60 K HN -0.132 7.173 8.250 -1.574 0.000 0.370 61 S N -0.817 114.583 115.700 -0.499 0.000 2.745 61 S HA 0.134 4.431 4.470 -0.288 0.000 0.292 61 S C 0.715 175.182 174.600 -0.222 0.000 1.133 61 S CA -0.567 57.463 58.200 -0.284 0.000 0.998 61 S CB 1.475 64.600 63.200 -0.125 0.000 1.087 61 S HN -0.183 7.900 8.310 -0.378 0.000 0.551 62 G N -0.283 108.430 108.800 -0.144 0.000 2.298 62 G HA2 -0.259 3.647 3.960 -0.090 0.000 0.287 62 G HA3 -0.259 3.625 3.960 -0.127 0.000 0.287 62 G C -1.540 173.284 174.900 -0.126 0.000 1.075 62 G CA 0.245 45.272 45.100 -0.121 0.000 0.960 62 G HN 0.293 8.515 8.290 -0.113 0.000 0.502 63 I N -1.557 118.952 120.570 -0.102 0.000 2.428 63 I HA 0.158 4.315 4.170 -0.023 0.000 0.296 63 I C -1.708 174.369 176.117 -0.067 0.000 0.985 63 I CA -0.960 60.309 61.300 -0.051 0.000 1.260 63 I CB 1.404 39.399 38.000 -0.010 0.000 1.389 63 I HN -0.499 7.651 8.210 -0.101 0.000 0.484 64 Q N 5.550 125.297 119.800 -0.088 0.000 3.226 64 Q HA 0.580 4.975 4.340 -0.078 -0.101 0.276 64 Q C -1.772 174.146 176.000 -0.136 0.000 1.029 64 Q CA -1.956 53.780 55.803 -0.112 0.000 0.854 64 Q CB 4.410 33.048 28.738 -0.167 0.000 1.567 64 Q HN 0.233 8.453 8.270 -0.085 0.000 0.481 65 R N -2.224 118.234 120.500 -0.070 0.000 3.321 65 R HA 0.361 4.989 4.340 0.202 -0.166 0.285 65 R C -1.501 174.847 176.300 0.081 0.000 1.149 65 R CA 0.108 56.221 56.100 0.021 0.000 1.191 65 R CB 2.067 32.243 30.300 -0.207 0.000 1.276 65 R HN 0.551 8.758 8.270 -0.106 0.000 0.429 70 E N -0.737 119.567 120.200 0.172 0.000 2.318 70 E HA 0.092 4.529 4.350 0.144 0.000 0.265 70 E C -1.685 175.122 176.600 0.346 0.000 1.069 70 E CA 0.530 57.051 56.400 0.202 0.000 0.893 70 E CB 1.576 31.321 29.700 0.076 0.000 1.076 70 E HN -0.552 7.882 8.360 0.189 0.040 0.414 71 D N 0.326 120.911 120.400 0.308 0.000 2.845 71 D HA 0.056 4.938 4.640 0.402 0.000 0.155 71 D C -1.145 175.373 176.300 0.363 0.000 1.490 71 D CA 1.203 55.397 54.000 0.324 0.000 1.548 71 D CB 2.389 43.279 40.800 0.150 0.000 1.523 71 D HN 0.101 8.591 8.370 0.200 0.000 0.233 72 N N 1.422 120.234 118.700 0.186 0.000 2.415 72 N HA 0.263 5.253 4.740 0.189 -0.137 0.246 72 N C 2.074 177.599 175.510 0.026 0.000 1.078 72 N CA -0.896 52.233 53.050 0.131 0.000 0.942 72 N CB 0.238 38.774 38.487 0.082 0.000 1.140 72 N HN -0.731 7.888 8.380 0.139 -0.156 0.501 73 I N 0.321 120.823 120.570 -0.114 0.000 3.083 73 I HA -0.161 4.011 4.170 -0.275 -0.168 0.273 73 I C -0.326 175.710 176.117 -0.135 0.000 1.297 73 I CA 1.640 62.766 61.300 -0.289 0.000 1.452 73 I CB -0.826 36.767 38.000 -0.679 0.000 1.078 73 I HN 0.627 8.790 8.210 -0.078 0.000 0.484 74 N N -2.328 116.341 118.700 -0.053 0.000 2.236 74 N HA 0.116 4.839 4.740 -0.029 0.000 0.196 74 N C -0.742 174.776 175.510 0.013 0.000 1.114 74 N CA 0.211 53.251 53.050 -0.017 0.000 0.859 74 N CB 2.025 40.513 38.487 0.001 0.000 0.982 74 N HN -0.256 8.375 8.380 -0.028 -0.268 0.493 75 V N 0.258 120.186 119.914 0.024 0.000 2.638 75 V HA 0.046 4.186 4.120 0.035 0.000 0.306 75 V C -1.448 174.674 176.094 0.047 0.000 1.052 75 V CA -1.073 61.248 62.300 0.036 0.000 0.885 75 V CB 3.158 35.000 31.823 0.031 0.000 0.999 75 V HN -0.834 7.406 8.190 0.018 -0.039 0.424 76 V N 6.972 126.913 119.914 0.045 0.000 2.461 76 V HA -0.182 4.157 4.120 0.047 -0.191 0.275 76 V C -0.016 176.083 176.094 0.009 0.000 1.047 76 V CA 0.658 62.974 62.300 0.027 0.000 0.955 76 V CB 0.269 32.090 31.823 -0.004 0.000 0.988 76 V HN 0.214 8.428 8.190 0.039 0.000 0.471 77 E N 7.225 127.430 120.200 0.008 0.000 2.541 77 E HA 0.166 4.520 4.350 0.006 0.000 0.219 77 E C -0.385 176.212 176.600 -0.005 0.000 0.922 77 E CA -0.484 55.921 56.400 0.007 0.000 1.095 77 E CB 1.172 30.886 29.700 0.023 0.000 1.112 77 E HN 0.454 9.338 8.360 0.010 -0.518 0.516 78 G N 0.087 108.875 108.800 -0.020 0.000 2.484 78 G HA2 -0.208 3.718 3.960 -0.056 0.000 0.685 78 G HA3 -0.208 3.738 3.960 -0.024 0.000 0.685 78 G C -1.783 173.102 174.900 -0.025 0.000 1.294 78 G CA -0.667 44.413 45.100 -0.033 0.000 0.879 78 G HN -0.437 8.275 8.290 -0.023 -0.436 0.646 79 N N -4.087 114.591 118.700 -0.036 0.000 2.980 79 N HA -0.286 4.440 4.740 -0.023 0.000 0.219 79 N C -1.069 174.426 175.510 -0.024 0.000 0.883 79 N CA 1.323 54.361 53.050 -0.020 0.000 1.018 79 N CB -0.204 38.286 38.487 0.005 0.000 1.041 79 N HN 0.153 8.503 8.380 -0.050 0.000 0.592 80 E N -1.302 118.863 120.200 -0.058 0.000 2.366 80 E HA 0.202 4.790 4.350 0.026 -0.222 0.266 80 E C -0.129 176.376 176.600 -0.158 0.000 1.051 80 E CA 0.456 56.816 56.400 -0.066 0.000 0.884 80 E CB 0.568 30.194 29.700 -0.123 0.000 1.006 80 E HN -0.242 7.969 8.360 -0.075 0.104 0.417 81 Q N 1.327 121.094 119.800 -0.056 0.000 2.274 81 Q HA 0.270 4.511 4.340 -0.164 0.000 0.268 81 Q C -1.511 174.591 176.000 0.170 0.000 1.015 81 Q CA -1.141 54.633 55.803 -0.048 0.000 0.775 81 Q CB 2.940 31.682 28.738 0.008 0.000 1.256 81 Q HN 0.332 8.648 8.270 0.077 0.000 0.442 82 F N 3.509 123.440 119.950 -0.031 0.000 2.411 82 F HA 0.520 5.222 4.527 -0.047 -0.203 0.352 82 F C -0.039 175.738 175.800 -0.039 0.000 1.123 82 F CA -3.006 54.970 58.000 -0.041 0.000 1.044 82 F CB 1.022 39.996 39.000 -0.043 0.000 1.135 82 F HN 0.364 8.624 8.300 -0.066 0.000 0.461 83 I N 3.780 124.433 120.570 0.137 0.000 2.582 83 I HA 0.248 4.450 4.170 0.052 0.000 0.292 83 I C -1.263 174.858 176.117 0.007 0.000 1.066 83 I CA -1.391 59.939 61.300 0.051 0.000 1.053 83 I CB 4.131 42.145 38.000 0.023 0.000 1.241 83 I HN 0.839 9.118 8.210 0.116 0.000 0.421 84 S N 5.205 120.900 115.700 -0.010 0.000 2.603 84 S HA 0.096 4.542 4.470 -0.041 0.000 0.268 84 S C -0.537 174.031 174.600 -0.053 0.000 1.317 84 S CA 0.681 58.860 58.200 -0.034 0.000 1.012 84 S CB 1.000 64.181 63.200 -0.033 0.000 0.926 84 S HN 0.398 8.707 8.310 -0.002 0.000 0.539 85 A N 1.812 124.596 122.820 -0.059 0.000 2.327 85 A HA 0.225 4.589 4.320 -0.095 -0.101 0.283 85 A C -0.554 176.984 177.584 -0.078 0.000 1.127 85 A CA -0.559 51.433 52.037 -0.074 0.000 0.810 85 A CB 0.962 19.930 19.000 -0.053 0.000 1.066 85 A HN -0.304 7.812 8.150 -0.055 0.000 0.492 86 S N 3.066 118.698 115.700 -0.113 0.000 2.355 86 S HA 0.035 4.461 4.470 -0.073 0.000 0.216 86 S C 0.529 175.090 174.600 -0.065 0.000 1.037 86 S CA 1.370 59.510 58.200 -0.100 0.000 0.955 86 S CB 0.825 63.935 63.200 -0.151 0.000 0.877 86 S HN 0.853 8.950 8.310 -0.161 0.117 0.488 87 K N -0.199 120.154 120.400 -0.078 0.000 2.480 87 K HA 0.342 4.683 4.320 0.035 0.000 0.258 87 K C -1.948 174.680 176.600 0.047 0.000 0.990 87 K CA -0.977 55.311 56.287 0.002 0.000 0.857 87 K CB 3.212 35.722 32.500 0.018 0.000 1.384 87 K HN -0.678 7.481 8.250 -0.151 0.000 0.446 88 S N 0.656 116.440 115.700 0.140 0.000 2.532 88 S HA 0.733 5.479 4.470 0.177 -0.170 0.299 88 S C -0.777 173.939 174.600 0.194 0.000 1.105 88 S CA -0.522 57.803 58.200 0.209 0.000 1.018 88 S CB 2.254 65.674 63.200 0.368 0.000 1.021 88 S HN 0.166 8.569 8.310 0.156 0.000 0.483 89 I N 7.583 128.281 120.570 0.213 0.000 2.405 89 I HA 0.100 4.353 4.170 0.138 0.000 0.280 89 I C -1.529 174.721 176.117 0.222 0.000 1.027 89 I CA -0.806 60.615 61.300 0.201 0.000 1.161 89 I CB 1.407 39.548 38.000 0.235 0.000 1.300 89 I HN 1.104 9.350 8.210 0.247 0.112 0.463 90 V N 7.866 127.837 119.914 0.095 0.000 2.649 90 V HA -0.153 4.000 4.120 0.057 0.000 0.292 90 V C -0.296 175.866 176.094 0.113 0.000 1.055 90 V CA -0.509 61.816 62.300 0.042 0.000 1.023 90 V CB 0.891 32.648 31.823 -0.110 0.000 0.992 90 V HN 0.355 8.553 8.190 0.014 0.000 0.480 91 H N 8.782 127.836 119.070 -0.025 0.000 3.001 91 H HA -0.036 4.372 4.556 -0.247 0.000 0.334 91 H C -0.490 174.815 175.328 -0.037 0.000 1.034 91 H CA 0.522 56.445 56.048 -0.208 0.000 1.420 91 H CB 1.535 31.020 29.762 -0.463 0.000 1.405 91 H HN -0.121 8.198 8.280 0.066 0.000 0.593 92 P HA -0.092 4.320 4.420 -0.012 0.000 0.219 92 P C -0.471 176.861 177.300 0.053 0.000 1.146 92 P CA 1.498 64.545 63.100 -0.089 0.000 0.808 92 P CB 0.359 31.982 31.700 -0.128 0.000 0.779 93 S N -3.752 112.086 115.700 0.230 0.000 2.582 93 S HA 0.032 4.560 4.470 0.097 0.000 0.234 93 S C -0.600 174.108 174.600 0.180 0.000 0.961 93 S CA 0.002 58.328 58.200 0.210 0.000 0.953 93 S CB 0.462 63.786 63.200 0.207 0.000 0.800 93 S HN -0.401 8.107 8.310 0.386 0.034 0.471 94 Y N 3.775 124.138 120.300 0.106 0.000 2.620 94 Y HA -0.315 4.502 4.550 -0.015 -0.276 0.330 94 Y C -0.948 174.951 175.900 -0.002 0.000 1.186 94 Y CA 0.831 58.944 58.100 0.022 0.000 1.467 94 Y CB 0.740 39.214 38.460 0.023 0.000 1.262 94 Y HN -0.707 7.596 8.280 0.347 0.185 0.550 95 N N 7.304 125.606 118.700 -0.662 0.000 2.443 95 N HA 0.216 4.679 4.740 -0.462 0.000 0.269 95 N C -0.241 174.753 175.510 -0.860 0.000 0.985 95 N CA -1.297 51.408 53.050 -0.575 0.000 0.921 95 N CB 1.928 40.242 38.487 -0.287 0.000 1.195 95 N HN -0.036 8.058 8.380 -0.477 0.000 0.492 96 S N 6.584 121.823 115.700 -0.767 0.000 2.515 96 S HA -0.058 4.066 4.470 -0.577 0.000 0.231 96 S C 0.627 175.055 174.600 -0.286 0.000 0.987 96 S CA 2.057 59.960 58.200 -0.494 0.000 0.936 96 S CB -0.136 62.938 63.200 -0.210 0.000 0.766 96 S HN 0.604 8.564 8.310 -0.583 0.000 0.528 97 N N 1.980 120.516 118.700 -0.274 0.000 2.336 97 N HA 0.057 4.678 4.740 -0.198 0.000 0.177 97 N C 1.082 176.431 175.510 -0.268 0.000 1.018 97 N CA 2.235 55.153 53.050 -0.221 0.000 0.878 97 N CB 0.685 39.071 38.487 -0.168 0.000 0.997 97 N HN 0.349 8.828 8.380 -0.298 -0.278 0.433 98 T N -3.765 110.624 114.554 -0.276 0.000 3.037 98 T HA 0.037 4.182 4.350 -0.341 0.000 0.252 98 T C 0.246 174.732 174.700 -0.356 0.000 1.073 98 T CA 0.637 62.558 62.100 -0.297 0.000 1.091 98 T CB 1.661 70.413 68.868 -0.194 0.000 0.935 98 T HN -0.400 7.953 8.240 -0.271 -0.276 0.488 99 L N -3.846 117.207 121.223 -0.283 0.000 4.406 99 L HA -0.483 3.948 4.340 -0.003 -0.093 0.406 99 L C -1.874 175.010 176.870 0.023 0.000 1.133 99 L CA 0.236 55.009 54.840 -0.111 0.000 0.974 99 L CB -2.616 39.307 42.059 -0.227 0.000 2.152 99 L HN -0.244 7.801 8.230 -0.308 0.000 0.736 100 N N -0.842 117.827 118.700 -0.051 0.000 2.492 100 N HA -0.199 4.584 4.740 0.071 0.000 0.260 100 N C 0.084 175.641 175.510 0.078 0.000 1.215 100 N CA 0.910 53.974 53.050 0.023 0.000 0.923 100 N CB 0.997 39.472 38.487 -0.020 0.000 1.092 100 N HN -0.657 7.587 8.380 -0.145 0.048 0.448 101 N N -0.680 118.073 118.700 0.089 0.000 2.756 101 N HA -0.471 4.234 4.740 -0.058 0.000 0.248 101 N C -1.386 174.141 175.510 0.028 0.000 1.062 101 N CA 1.385 54.417 53.050 -0.029 0.000 0.696 101 N CB -1.514 36.873 38.487 -0.167 0.000 0.946 101 N HN 0.651 9.102 8.380 0.118 0.000 0.548 102 D N -1.007 119.430 120.400 0.061 0.000 2.608 102 D HA 0.074 4.703 4.640 -0.019 0.000 0.224 102 D C -1.727 174.481 176.300 -0.153 0.000 1.123 102 D CA -0.456 53.562 54.000 0.031 0.000 1.030 102 D CB -0.733 40.184 40.800 0.195 0.000 1.093 102 D HN -0.131 8.282 8.370 0.070 0.000 0.497 103 I N 1.494 121.911 120.570 -0.254 0.000 2.802 103 I HA 0.596 4.853 4.170 -0.139 -0.170 0.298 103 I C -3.028 173.044 176.117 -0.075 0.000 1.176 103 I CA -1.631 59.543 61.300 -0.210 0.000 1.025 103 I CB 4.142 41.874 38.000 -0.446 0.000 1.243 103 I HN -0.053 7.955 8.210 -0.253 0.051 0.424 104 M N 6.494 126.118 119.600 0.041 0.000 2.421 104 M HA 0.695 5.485 4.480 0.227 -0.174 0.287 104 M C -2.747 173.681 176.300 0.212 0.000 1.183 104 M CA -1.020 54.369 55.300 0.148 0.000 0.916 104 M CB 4.827 37.468 32.600 0.068 0.000 1.701 104 M HN 0.517 8.825 8.290 0.030 0.000 0.470 105 L N 3.222 124.612 121.223 0.278 0.000 2.329 105 L HA 0.864 5.548 4.340 0.272 -0.180 0.279 105 L C -1.235 175.829 176.870 0.324 0.000 1.014 105 L CA -1.472 53.553 54.840 0.308 0.000 0.814 105 L CB 2.887 45.108 42.059 0.270 0.000 1.257 105 L HN 0.391 8.807 8.230 0.311 0.000 0.424 106 I N 0.763 121.505 120.570 0.285 0.000 2.498 106 I HA 0.628 5.047 4.170 0.102 -0.188 0.290 106 I C -1.659 174.420 176.117 -0.062 0.000 1.032 106 I CA -1.467 59.898 61.300 0.109 0.000 1.073 106 I CB 3.453 41.489 38.000 0.060 0.000 1.251 106 I HN 0.773 9.174 8.210 0.319 0.000 0.426 107 K N 5.943 126.106 120.400 -0.396 0.000 2.182 107 K HA 0.710 4.475 4.320 -1.189 -0.158 0.262 107 K C -1.096 175.227 176.600 -0.461 0.000 0.957 107 K CA -2.031 53.669 56.287 -0.978 0.000 0.842 107 K CB 3.298 34.932 32.500 -1.444 0.000 1.099 107 K HN 0.330 8.424 8.250 -0.260 0.000 0.438 108 L N 4.080 125.068 121.223 -0.391 0.000 2.399 108 L HA 0.224 4.576 4.340 -0.155 -0.106 0.266 108 L C 1.634 178.391 176.870 -0.188 0.000 1.114 108 L CA -0.089 54.628 54.840 -0.204 0.000 0.804 108 L CB 0.480 42.460 42.059 -0.132 0.000 1.146 108 L HN 0.863 8.691 8.230 -0.490 0.108 0.451 109 K N 3.144 123.473 120.400 -0.118 0.000 2.097 109 K HA -0.247 4.008 4.320 -0.108 0.000 0.205 109 K C -0.417 176.135 176.600 -0.080 0.000 1.050 109 K CA 2.517 58.748 56.287 -0.093 0.000 0.938 109 K CB 0.391 32.855 32.500 -0.059 0.000 0.718 109 K HN 0.620 8.813 8.250 -0.094 0.000 0.442 110 S N -4.741 110.918 115.700 -0.068 0.000 2.588 110 S HA 0.102 4.540 4.470 -0.054 0.000 0.275 110 S C -1.603 172.969 174.600 -0.046 0.000 1.130 110 S CA -1.304 56.866 58.200 -0.050 0.000 0.855 110 S CB 3.117 66.299 63.200 -0.030 0.000 1.116 110 S HN -0.638 7.633 8.310 -0.064 0.000 0.472 111 A N -0.037 122.763 122.820 -0.032 0.000 2.425 111 A HA 0.091 4.553 4.320 -0.024 -0.157 0.242 111 A C -0.137 177.445 177.584 -0.003 0.000 1.077 111 A CA -0.136 51.892 52.037 -0.015 0.000 0.781 111 A CB 0.451 19.452 19.000 0.001 0.000 1.020 111 A HN 0.225 8.359 8.150 -0.028 0.000 0.494 112 A N 0.727 123.553 122.820 0.009 0.000 2.287 112 A HA 0.208 4.609 4.320 0.012 -0.073 0.273 112 A C -0.649 176.946 177.584 0.019 0.000 1.091 112 A CA -1.273 50.774 52.037 0.018 0.000 0.817 112 A CB 1.567 20.587 19.000 0.032 0.000 1.069 112 A HN 0.347 8.398 8.150 0.014 0.108 0.492 113 S N -0.092 115.617 115.700 0.016 0.000 2.422 113 S HA 0.150 4.630 4.470 0.016 0.000 0.308 113 S C -0.624 173.990 174.600 0.023 0.000 1.097 113 S CA -0.720 57.489 58.200 0.015 0.000 1.099 113 S CB 0.722 63.925 63.200 0.006 0.000 0.976 113 S HN 0.002 8.665 8.310 0.013 -0.345 0.471 114 L N 4.920 126.160 121.223 0.028 0.000 2.439 114 L HA 0.137 4.635 4.340 0.040 -0.134 0.261 114 L C -0.256 176.631 176.870 0.029 0.000 1.153 114 L CA -0.326 54.536 54.840 0.036 0.000 0.808 114 L CB 0.761 42.846 42.059 0.043 0.000 1.126 114 L HN 0.145 8.391 8.230 0.027 0.000 0.460 115 N N 0.962 119.681 118.700 0.032 0.000 3.547 115 N HA 0.094 4.849 4.740 0.025 0.000 0.347 115 N C -1.757 173.773 175.510 0.032 0.000 1.533 115 N CA -0.304 52.762 53.050 0.027 0.000 0.848 115 N CB 0.910 39.408 38.487 0.019 0.000 2.112 115 N HN 0.566 8.859 8.380 0.039 0.111 0.527 116 S N -3.020 112.696 115.700 0.027 0.000 2.461 116 S HA -0.184 4.307 4.470 0.035 0.000 0.228 116 S C 0.674 175.290 174.600 0.028 0.000 1.005 116 S CA 2.226 60.443 58.200 0.029 0.000 0.942 116 S CB 0.130 63.343 63.200 0.023 0.000 0.776 116 S HN 0.086 8.409 8.310 0.022 0.000 0.514 117 R N -1.164 119.350 120.500 0.024 0.000 2.290 117 R HA 0.198 4.547 4.340 0.015 0.000 0.197 117 R C -1.196 175.121 176.300 0.028 0.000 0.913 117 R CA -0.342 55.770 56.100 0.021 0.000 1.040 117 R CB 1.139 31.450 30.300 0.019 0.000 0.992 117 R HN 0.036 8.618 8.270 0.023 -0.298 0.500 118 V N -1.207 118.730 119.914 0.037 0.000 2.462 118 V HA 0.282 4.639 4.120 0.053 -0.205 0.288 118 V C -2.213 173.920 176.094 0.064 0.000 1.020 118 V CA -0.975 61.355 62.300 0.051 0.000 0.857 118 V CB 2.354 34.205 31.823 0.046 0.000 1.013 118 V HN -0.482 7.757 8.190 0.036 -0.027 0.431 119 A N 6.417 129.291 122.820 0.090 0.000 2.515 119 A HA 0.533 4.904 4.320 0.085 0.000 0.296 119 A C -2.611 175.062 177.584 0.149 0.000 1.094 119 A CA -1.303 50.799 52.037 0.107 0.000 0.718 119 A CB 3.227 22.293 19.000 0.110 0.000 1.307 119 A HN 0.163 8.246 8.150 0.096 0.125 0.408 120 S N -1.293 114.480 115.700 0.122 0.000 2.669 120 S HA 0.671 5.415 4.470 0.155 -0.180 0.270 120 S C -0.599 174.057 174.600 0.092 0.000 1.225 120 S CA -0.736 57.536 58.200 0.121 0.000 0.991 120 S CB 1.534 64.784 63.200 0.085 0.000 0.987 120 S HN -0.008 8.359 8.310 0.095 0.000 0.552 121 I N 0.199 120.785 120.570 0.026 0.000 2.797 121 I HA 0.251 4.359 4.170 -0.103 0.000 0.307 121 I C -1.210 174.862 176.117 -0.075 0.000 1.033 121 I CA -1.657 59.568 61.300 -0.125 0.000 1.071 121 I CB 4.178 41.903 38.000 -0.458 0.000 1.255 121 I HN -0.018 8.221 8.210 0.048 0.000 0.445 122 S N 4.917 120.567 115.700 -0.085 0.000 2.610 122 S HA 0.256 4.710 4.470 -0.027 0.000 0.273 122 S C -0.741 173.830 174.600 -0.047 0.000 1.274 122 S CA -0.356 57.816 58.200 -0.048 0.000 1.023 122 S CB 0.898 64.074 63.200 -0.040 0.000 0.962 122 S HN 0.225 8.467 8.310 -0.112 0.000 0.523 123 L N 2.385 123.595 121.223 -0.022 0.000 2.421 123 L HA 0.248 4.586 4.340 -0.003 0.000 0.263 123 L C -1.150 175.715 176.870 -0.008 0.000 1.122 123 L CA -2.118 52.720 54.840 -0.004 0.000 0.804 123 L CB 0.342 42.408 42.059 0.011 0.000 1.150 123 L HN 0.240 8.459 8.230 -0.017 0.000 0.457 124 P HA 0.149 4.557 4.420 -0.020 0.000 0.278 124 P C -1.359 175.938 177.300 -0.004 0.000 1.266 124 P CA -0.784 62.310 63.100 -0.009 0.000 0.807 124 P CB 0.942 32.635 31.700 -0.011 0.000 1.094 128 c N 0.160 118.732 118.600 -0.047 0.000 2.347 128 c HA 0.163 4.694 4.570 -0.066 0.000 0.366 128 c C -0.404 173.623 174.090 -0.104 0.000 1.241 128 c CA -0.802 55.484 56.329 -0.071 0.000 2.360 128 c CB 1.054 43.529 42.510 -0.058 0.000 2.290 128 c HN -0.046 8.158 8.230 -0.042 0.000 0.587 129 A N 0.110 122.828 122.820 -0.169 0.000 2.269 129 A HA 0.152 4.397 4.320 -0.126 0.000 0.319 129 A C -1.092 176.387 177.584 -0.174 0.000 1.110 129 A CA -0.581 51.351 52.037 -0.176 0.000 0.847 129 A CB 1.611 20.468 19.000 -0.237 0.000 1.161 129 A HN 0.216 8.232 8.150 -0.224 0.000 0.497 133 G N 0.326 109.089 108.800 -0.062 0.000 2.253 133 G HA2 -0.355 3.573 3.960 -0.053 0.000 0.251 133 G HA3 -0.355 3.578 3.960 -0.044 0.000 0.251 133 G C -0.061 174.802 174.900 -0.062 0.000 0.998 133 G CA 0.236 45.303 45.100 -0.054 0.000 0.621 133 G HN 0.709 8.857 8.290 -0.063 0.105 0.524 134 T N 3.368 117.873 114.554 -0.081 0.000 2.930 134 T HA -0.149 4.164 4.350 -0.062 0.000 0.306 134 T C -1.301 173.355 174.700 -0.074 0.000 1.045 134 T CA 2.325 64.377 62.100 -0.080 0.000 1.134 134 T CB 0.852 69.654 68.868 -0.110 0.000 0.961 134 T HN -0.592 7.511 8.240 -0.097 0.078 0.545 135 Q N 4.751 124.521 119.800 -0.050 0.000 2.230 135 Q HA 0.265 4.700 4.340 -0.046 -0.122 0.253 135 Q C -0.907 175.074 176.000 -0.031 0.000 0.919 135 Q CA 0.110 55.894 55.803 -0.033 0.000 0.908 135 Q CB 1.969 30.704 28.738 -0.004 0.000 1.245 135 Q HN 0.180 8.425 8.270 -0.042 0.000 0.437 136 c N 2.163 120.748 118.600 -0.025 0.000 3.044 136 c HA 0.543 5.200 4.570 -0.015 -0.097 0.315 136 c C -1.914 172.184 174.090 0.015 0.000 1.320 136 c CA -1.595 54.722 56.329 -0.020 0.000 1.582 136 c CB 4.330 46.808 42.510 -0.053 0.000 2.039 136 c HN 0.790 8.898 8.230 -0.024 0.108 0.466 137 L N 0.507 121.748 121.223 0.029 0.000 2.333 137 L HA 0.935 5.500 4.340 0.066 -0.185 0.280 137 L C -2.250 174.643 176.870 0.038 0.000 1.004 137 L CA -1.402 53.472 54.840 0.056 0.000 0.820 137 L CB 3.433 45.548 42.059 0.092 0.000 1.247 137 L HN 0.622 8.756 8.230 0.021 0.109 0.416 138 I N 6.872 127.452 120.570 0.017 0.000 2.509 138 I HA 0.894 5.313 4.170 0.029 -0.232 0.293 138 I C -1.327 174.765 176.117 -0.042 0.000 1.020 138 I CA -1.619 59.687 61.300 0.009 0.000 1.088 138 I CB 2.625 40.636 38.000 0.019 0.000 1.267 138 I HN 1.060 9.174 8.210 0.021 0.108 0.430 139 S N 2.380 118.049 115.700 -0.053 0.000 2.618 139 S HA 1.038 5.549 4.470 -0.213 -0.168 0.277 139 S C -1.174 173.328 174.600 -0.162 0.000 1.138 139 S CA -1.794 56.302 58.200 -0.174 0.000 0.844 139 S CB 3.766 66.821 63.200 -0.241 0.000 1.127 139 S HN -0.201 8.110 8.310 0.002 0.000 0.474 140 G N -1.403 107.213 108.800 -0.307 0.000 2.321 140 G HA2 0.136 3.910 3.960 -0.311 0.000 0.298 140 G HA3 0.136 4.217 3.960 -0.025 -0.136 0.298 140 G C -2.451 172.250 174.900 -0.332 0.000 1.385 140 G CA 0.560 45.514 45.100 -0.244 0.000 0.856 140 G HN 0.332 8.375 8.290 -0.411 0.000 0.584 141 W N 0.968 122.220 121.300 -0.080 0.000 2.862 141 W HA 0.371 4.975 4.660 -0.093 0.000 0.426 141 W C -0.328 176.222 176.519 0.052 0.000 0.950 141 W CA -0.962 56.294 57.345 -0.149 0.000 2.150 141 W CB 0.285 29.430 29.460 -0.525 0.000 1.161 141 W HN 0.585 8.939 8.180 0.290 0.000 0.696 142 G N 0.679 109.656 108.800 0.295 0.000 2.588 142 G HA2 -0.016 4.291 3.960 0.579 0.000 0.281 142 G HA3 -0.016 4.309 3.960 0.294 -0.189 0.281 142 G C -0.986 174.029 174.900 0.192 0.000 1.236 142 G CA -0.848 44.471 45.100 0.366 0.000 0.969 142 G HN -0.445 8.106 8.290 0.185 -0.150 0.504 143 N N -0.413 118.308 118.700 0.034 0.000 2.353 143 N HA -0.316 4.130 4.740 -0.789 -0.179 0.248 143 N C 0.901 176.319 175.510 -0.154 0.000 1.240 143 N CA 1.107 53.931 53.050 -0.377 0.000 0.862 143 N CB 0.624 38.884 38.487 -0.378 0.000 1.086 143 N HN 0.119 8.639 8.380 0.233 0.000 0.453 144 T N 0.081 114.534 114.554 -0.169 0.000 3.054 144 T HA 0.198 4.642 4.350 -0.054 -0.125 0.255 144 T C 0.197 174.856 174.700 -0.068 0.000 1.035 144 T CA 0.388 62.439 62.100 -0.081 0.000 0.941 144 T CB 1.366 70.199 68.868 -0.058 0.000 1.026 144 T HN 0.472 8.560 8.240 -0.253 0.000 0.533 145 K N 2.040 122.385 120.400 -0.092 0.000 2.259 145 K HA 0.293 4.589 4.320 -0.040 0.000 0.249 145 K C -0.547 176.028 176.600 -0.042 0.000 0.942 145 K CA -0.931 55.320 56.287 -0.060 0.000 0.816 145 K CB 2.670 35.130 32.500 -0.066 0.000 1.155 145 K HN -0.596 7.790 8.250 -0.145 -0.223 0.428 146 S N 0.127 115.816 115.700 -0.019 0.000 2.503 146 S HA -0.053 4.420 4.470 0.005 0.000 0.215 146 S C 0.173 174.774 174.600 0.003 0.000 1.003 146 S CA 0.776 58.977 58.200 0.000 0.000 0.910 146 S CB 1.020 64.226 63.200 0.009 0.000 0.790 146 S HN 0.168 8.468 8.310 -0.017 0.000 0.514 147 S N 1.814 117.511 115.700 -0.005 0.000 2.252 147 S HA 0.182 4.657 4.470 0.007 0.000 0.187 147 S C -0.985 173.612 174.600 -0.006 0.000 1.587 147 S CA -0.115 58.085 58.200 0.000 0.000 1.215 147 S CB -0.076 63.126 63.200 0.003 0.000 1.085 147 S HN -0.470 7.793 8.310 -0.013 0.039 0.466 148 G N 1.174 109.970 108.800 -0.007 0.000 2.440 148 G HA2 -0.196 3.769 3.960 0.008 0.000 0.684 148 G HA3 -0.196 3.759 3.960 -0.008 0.000 0.684 148 G C -2.546 172.329 174.900 -0.041 0.000 1.309 148 G CA -0.863 44.231 45.100 -0.008 0.000 0.931 148 G HN -0.321 7.968 8.290 -0.002 0.000 0.612 149 T N -3.625 110.907 114.554 -0.036 0.000 2.824 149 T HA 0.069 4.410 4.350 -0.267 -0.151 0.280 149 T C -1.249 173.356 174.700 -0.159 0.000 0.995 149 T CA -1.662 60.357 62.100 -0.136 0.000 1.009 149 T CB 1.588 70.501 68.868 0.076 0.000 0.955 149 T HN -0.172 8.071 8.240 0.004 0.000 0.452 150 S N 3.357 118.846 115.700 -0.351 0.000 2.680 150 S HA 0.170 4.617 4.470 -0.037 0.000 0.262 150 S C -2.194 172.226 174.600 -0.300 0.000 1.138 150 S CA -0.129 57.969 58.200 -0.169 0.000 1.072 150 S CB 0.877 64.018 63.200 -0.098 0.000 1.097 150 S HN 0.548 8.816 8.310 -0.624 -0.333 0.468 151 Y N 5.854 126.193 120.300 0.065 0.000 2.330 151 Y HA 0.265 4.872 4.550 0.094 0.000 0.336 151 Y C -0.849 175.099 175.900 0.080 0.000 1.036 151 Y CA -2.748 55.404 58.100 0.086 0.000 1.125 151 Y CB 1.075 39.596 38.460 0.102 0.000 1.194 151 Y HN 0.097 8.501 8.280 0.205 0.000 0.469 152 P HA 0.399 4.895 4.420 0.126 0.000 0.280 152 P C -1.590 175.839 177.300 0.215 0.000 1.272 152 P CA -0.931 62.268 63.100 0.166 0.000 0.819 152 P CB 2.140 33.907 31.700 0.111 0.000 1.122 153 D N -2.394 118.111 120.400 0.174 0.000 2.277 153 D HA -0.087 4.626 4.640 0.122 0.000 0.209 153 D C -1.383 175.079 176.300 0.270 0.000 0.970 153 D CA 1.376 55.472 54.000 0.160 0.000 0.874 153 D CB 0.900 41.760 40.800 0.100 0.000 0.982 153 D HN 0.400 8.851 8.370 0.135 0.000 0.504 154 V N -7.383 112.681 119.914 0.250 0.000 2.881 154 V HA 0.776 5.343 4.120 0.420 -0.195 0.316 154 V C -0.642 175.474 176.094 0.037 0.000 1.070 154 V CA -2.744 59.703 62.300 0.245 0.000 0.976 154 V CB 2.451 34.337 31.823 0.104 0.000 1.038 154 V HN -0.992 7.300 8.190 0.170 0.000 0.446 155 L N 2.430 123.517 121.223 -0.226 0.000 2.499 155 L HA -0.048 3.431 4.340 -1.435 0.000 0.273 155 L C -0.611 175.978 176.870 -0.470 0.000 1.195 155 L CA 0.869 55.223 54.840 -0.811 0.000 0.882 155 L CB 0.573 42.121 42.059 -0.850 0.000 1.133 155 L HN -0.087 8.303 8.230 0.022 -0.147 0.483 156 K N 5.459 125.564 120.400 -0.492 0.000 2.203 156 K HA 0.692 4.956 4.320 -0.363 -0.161 0.251 156 K C -1.177 175.160 176.600 -0.438 0.000 0.944 156 K CA -2.752 53.309 56.287 -0.378 0.000 0.829 156 K CB 2.525 34.875 32.500 -0.249 0.000 1.125 156 K HN -0.072 7.809 8.250 -0.614 0.000 0.430 157 c N -0.394 117.845 118.600 -0.602 0.000 2.614 157 c HA 1.033 5.558 4.570 -0.399 -0.194 0.320 157 c C -1.682 172.036 174.090 -0.620 0.000 1.200 157 c CA -0.780 55.143 56.329 -0.675 0.000 1.700 157 c CB 3.381 45.333 42.510 -0.930 0.000 2.275 157 c HN 0.669 8.467 8.230 -0.719 0.000 0.492 158 L N 0.423 121.512 121.223 -0.223 0.000 2.513 158 L HA 0.365 4.787 4.340 0.137 0.000 0.261 158 L C -2.584 174.368 176.870 0.137 0.000 0.945 158 L CA 0.246 55.108 54.840 0.037 0.000 0.848 158 L CB 4.481 46.572 42.059 0.053 0.000 1.334 158 L HN 0.807 8.940 8.230 -0.162 0.000 0.407 159 K N 5.578 126.119 120.400 0.235 0.000 2.213 159 K HA 0.842 5.459 4.320 0.137 -0.215 0.270 159 K C -0.966 175.768 176.600 0.223 0.000 1.002 159 K CA -1.493 54.909 56.287 0.192 0.000 0.868 159 K CB 1.133 33.749 32.500 0.193 0.000 1.093 159 K HN 0.344 8.769 8.250 0.291 0.000 0.454 160 A N 4.436 127.320 122.820 0.106 0.000 2.486 160 A HA 0.619 4.912 4.320 -0.044 0.000 0.300 160 A C -3.377 174.138 177.584 -0.114 0.000 1.048 160 A CA -2.776 49.247 52.037 -0.022 0.000 0.696 160 A CB 3.049 22.044 19.000 -0.009 0.000 1.278 160 A HN 0.819 9.004 8.150 0.058 0.000 0.405 161 P HA 0.681 5.243 4.420 -0.102 -0.204 0.279 161 P C -1.064 176.164 177.300 -0.120 0.000 1.252 161 P CA -1.293 61.717 63.100 -0.150 0.000 0.811 161 P CB 1.560 33.169 31.700 -0.151 0.000 1.035 162 I N -0.437 120.083 120.570 -0.084 0.000 2.474 162 I HA 0.033 4.362 4.170 0.072 -0.115 0.287 162 I C 0.061 176.164 176.117 -0.022 0.000 1.048 162 I CA 0.261 61.541 61.300 -0.032 0.000 1.383 162 I CB 0.643 38.545 38.000 -0.164 0.000 1.412 162 I HN -0.084 8.068 8.210 -0.097 0.000 0.531 163 L N 6.107 127.353 121.223 0.039 0.000 2.400 163 L HA 0.286 4.617 4.340 -0.015 0.000 0.264 163 L C -0.347 176.539 176.870 0.027 0.000 1.061 163 L CA -1.135 53.716 54.840 0.018 0.000 0.799 163 L CB 0.955 43.033 42.059 0.033 0.000 1.240 163 L HN 0.413 8.605 8.230 0.119 0.109 0.461 164 S N -1.408 114.301 115.700 0.016 0.000 2.614 164 S HA -0.000 4.475 4.470 0.009 0.000 0.265 164 S C 0.374 174.999 174.600 0.041 0.000 1.303 164 S CA -0.585 57.625 58.200 0.018 0.000 1.000 164 S CB 1.343 64.549 63.200 0.009 0.000 0.935 164 S HN -0.061 8.255 8.310 0.009 0.000 0.551 165 D N 1.207 121.631 120.400 0.041 0.000 2.178 165 D HA -0.207 4.480 4.640 0.079 0.000 0.202 165 D C 1.531 177.863 176.300 0.053 0.000 0.974 165 D CA 3.567 57.602 54.000 0.058 0.000 0.841 165 D CB -0.485 40.345 40.800 0.050 0.000 0.953 165 D HN 0.584 8.970 8.370 0.028 0.000 0.478 166 S N -1.225 114.497 115.700 0.037 0.000 2.383 166 S HA -0.262 4.229 4.470 0.036 0.000 0.227 166 S C 2.070 176.688 174.600 0.030 0.000 1.026 166 S CA 3.221 61.440 58.200 0.031 0.000 0.981 166 S CB -0.774 62.438 63.200 0.020 0.000 0.818 166 S HN 0.022 8.335 8.310 0.029 0.015 0.472 167 S N 3.837 119.553 115.700 0.028 0.000 2.387 167 S HA -0.206 4.270 4.470 0.010 0.000 0.226 167 S C 1.768 176.388 174.600 0.034 0.000 1.026 167 S CA 4.176 62.388 58.200 0.020 0.000 0.972 167 S CB -0.099 63.110 63.200 0.015 0.000 0.814 167 S HN -0.585 7.741 8.310 0.028 0.000 0.477 168 c N 3.648 122.286 118.600 0.063 0.000 2.436 168 c HA -0.309 4.332 4.570 0.118 0.000 0.277 168 c C 1.766 175.934 174.090 0.130 0.000 1.241 168 c CA 2.772 59.167 56.329 0.109 0.000 1.721 168 c CB -1.708 40.874 42.510 0.120 0.000 2.043 168 c HN -0.037 8.163 8.230 0.061 0.066 0.472 169 K N -1.402 119.060 120.400 0.103 0.000 2.209 169 K HA -0.350 4.059 4.320 0.148 0.000 0.204 169 K C 2.264 178.907 176.600 0.071 0.000 1.048 169 K CA 3.182 59.532 56.287 0.104 0.000 0.940 169 K CB -0.192 32.355 32.500 0.079 0.000 0.729 169 K HN 0.270 8.461 8.250 0.086 0.110 0.451 170 S N -0.680 115.041 115.700 0.034 0.000 2.387 170 S HA -0.250 4.226 4.470 0.010 0.000 0.226 170 S C 0.945 175.518 174.600 -0.045 0.000 1.026 170 S CA 3.091 61.291 58.200 0.001 0.000 0.972 170 S CB -0.003 63.192 63.200 -0.008 0.000 0.814 170 S HN -0.423 7.789 8.310 0.036 0.119 0.477 171 A N -0.451 122.317 122.820 -0.088 0.000 1.898 171 A HA -0.114 4.044 4.320 -0.269 0.000 0.216 171 A C -0.270 177.043 177.584 -0.452 0.000 1.181 171 A CA 2.050 53.903 52.037 -0.306 0.000 0.620 171 A CB 0.674 19.440 19.000 -0.389 0.000 0.819 171 A HN -0.572 7.475 8.150 -0.037 0.080 0.442 172 Y N -5.923 114.408 120.300 0.052 0.000 2.553 172 Y HA 0.475 5.095 4.550 0.116 0.000 0.369 172 Y C -2.394 173.565 175.900 0.099 0.000 0.964 172 Y CA -3.645 54.520 58.100 0.107 0.000 1.156 172 Y CB -0.319 38.239 38.460 0.163 0.000 1.218 172 Y HN -0.482 7.855 8.280 0.095 0.000 0.630 173 P HA -0.091 4.505 4.420 0.109 -0.110 0.264 173 P C 0.882 178.255 177.300 0.122 0.000 1.193 173 P CA 1.131 64.299 63.100 0.113 0.000 0.763 173 P CB 0.090 31.829 31.700 0.065 0.000 0.810 174 G N 3.878 112.740 108.800 0.103 0.000 2.189 174 G HA2 -0.371 3.627 3.960 0.064 0.000 0.267 174 G HA3 -0.371 3.626 3.960 0.061 0.000 0.267 174 G C 0.135 175.090 174.900 0.091 0.000 0.975 174 G CA 0.651 45.798 45.100 0.079 0.000 0.644 174 G HN 0.493 8.841 8.290 0.096 0.000 0.537 175 Q N -2.068 117.826 119.800 0.157 0.000 2.194 175 Q HA 0.089 4.467 4.340 0.062 0.000 0.214 175 Q C -0.873 175.270 176.000 0.237 0.000 0.838 175 Q CA -0.521 55.380 55.803 0.163 0.000 0.972 175 Q CB 1.375 30.256 28.738 0.238 0.000 1.131 175 Q HN -0.148 8.166 8.270 0.201 0.077 0.498 176 I N 0.020 120.713 120.570 0.206 0.000 2.354 176 I HA 0.107 4.422 4.170 0.240 0.000 0.292 176 I C -0.569 175.624 176.117 0.128 0.000 0.989 176 I CA -2.295 59.119 61.300 0.190 0.000 1.188 176 I CB -0.185 37.918 38.000 0.171 0.000 1.342 176 I HN -0.416 7.899 8.210 0.175 0.000 0.457 177 T N 2.128 116.754 114.554 0.120 0.000 2.922 177 T HA 0.396 4.786 4.350 0.066 0.000 0.281 177 T C 0.670 175.422 174.700 0.086 0.000 1.005 177 T CA -2.180 59.969 62.100 0.082 0.000 0.982 177 T CB 2.322 71.228 68.868 0.064 0.000 1.158 177 T HN -0.395 7.933 8.240 0.147 0.000 0.566 178 S N -2.270 113.466 115.700 0.060 0.000 2.607 178 S HA -0.152 4.360 4.470 0.070 0.000 0.224 178 S C -0.120 174.522 174.600 0.071 0.000 0.969 178 S CA 1.476 59.710 58.200 0.057 0.000 0.927 178 S CB -0.197 63.017 63.200 0.023 0.000 0.772 178 S HN 0.237 8.573 8.310 0.043 0.000 0.533 179 N N 0.361 119.118 118.700 0.095 0.000 2.273 179 N HA 0.162 4.978 4.740 0.126 0.000 0.231 179 N C -1.911 173.722 175.510 0.205 0.000 1.134 179 N CA -0.406 52.733 53.050 0.150 0.000 0.856 179 N CB 1.054 39.652 38.487 0.185 0.000 1.068 179 N HN -0.563 7.783 8.380 0.092 0.090 0.510 180 M N -1.221 118.485 119.600 0.177 0.000 2.593 180 M HA 0.880 5.655 4.480 0.108 -0.230 0.290 180 M C -2.445 173.977 176.300 0.203 0.000 1.244 180 M CA -0.437 54.946 55.300 0.138 0.000 0.857 180 M CB 5.227 37.889 32.600 0.103 0.000 1.738 180 M HN -0.713 7.580 8.290 0.156 0.091 0.461 181 F N -6.359 113.640 119.950 0.082 0.000 2.645 181 F HA 0.622 5.180 4.527 0.053 0.000 0.310 181 F C -2.726 173.127 175.800 0.089 0.000 1.102 181 F CA -1.690 56.353 58.000 0.071 0.000 0.952 181 F CB 2.426 41.463 39.000 0.062 0.000 1.326 181 F HN 0.141 8.313 8.300 -0.212 0.000 0.456 182 c N -0.233 118.539 118.600 0.286 0.000 2.454 182 c HA 1.016 5.826 4.570 0.073 -0.197 0.336 182 c C -1.138 173.145 174.090 0.323 0.000 1.189 182 c CA -1.089 55.353 56.329 0.188 0.000 1.877 182 c CB 3.065 45.648 42.510 0.122 0.000 2.348 182 c HN 0.872 9.311 8.230 0.349 0.000 0.508 183 A N 2.402 125.391 122.820 0.281 0.000 2.497 183 A HA 0.650 5.155 4.320 0.083 -0.134 0.280 183 A C -2.385 175.256 177.584 0.095 0.000 1.065 183 A CA -0.223 51.903 52.037 0.149 0.000 0.781 183 A CB 2.725 21.750 19.000 0.042 0.000 1.289 183 A HN 0.482 8.817 8.150 0.309 0.000 0.415 184 Y N 2.672 123.007 120.300 0.058 0.000 2.383 184 Y HA 0.108 4.679 4.550 0.035 0.000 0.344 184 Y C 0.946 176.862 175.900 0.028 0.000 0.986 184 Y CA -0.403 57.720 58.100 0.038 0.000 1.175 184 Y CB 0.607 39.088 38.460 0.034 0.000 1.152 184 Y HN 0.386 8.807 8.280 0.236 0.000 0.511 185 L N 3.740 125.040 121.223 0.128 0.000 2.362 185 L HA -0.314 4.056 4.340 0.051 0.000 0.219 185 L C 0.961 177.876 176.870 0.076 0.000 1.134 185 L CA 2.167 57.049 54.840 0.071 0.000 0.807 185 L CB -0.432 41.650 42.059 0.038 0.000 0.927 185 L HN 0.543 8.831 8.230 0.098 0.000 0.447 186 E N -2.349 117.917 120.200 0.110 0.000 2.435 186 E HA -0.060 4.317 4.350 0.046 0.000 0.195 186 E C 0.754 177.389 176.600 0.057 0.000 1.029 186 E CA -0.045 56.396 56.400 0.068 0.000 0.865 186 E CB -0.297 29.438 29.700 0.058 0.000 0.833 186 E HN 0.035 8.448 8.360 0.170 0.049 0.510 187 G N 1.110 109.962 108.800 0.086 0.000 3.405 187 G HA2 -0.373 3.667 3.960 0.081 0.000 0.676 187 G HA3 -0.373 3.637 3.960 0.041 -0.025 0.676 187 G C -0.842 174.074 174.900 0.026 0.000 1.039 187 G CA -0.097 45.040 45.100 0.061 0.000 0.855 187 G HN -0.412 7.796 8.290 0.138 0.165 0.443 188 K N 1.130 121.525 120.400 -0.008 0.000 7.156 188 K HA -0.593 4.012 4.320 0.009 -0.280 0.723 188 K C -1.386 175.310 176.600 0.160 0.000 2.501 188 K CA 0.288 56.586 56.287 0.019 0.000 1.807 188 K CB -0.135 32.268 32.500 -0.161 0.000 1.947 188 K HN 0.215 8.480 8.250 0.027 0.000 0.300 189 D N 0.604 121.082 120.400 0.131 0.000 2.764 189 D HA 0.297 5.062 4.640 0.209 0.000 0.293 189 D C -1.886 174.485 176.300 0.119 0.000 1.287 189 D CA -0.563 53.529 54.000 0.153 0.000 0.768 189 D CB 4.313 45.184 40.800 0.119 0.000 1.288 189 D HN 0.173 8.595 8.370 0.087 0.000 0.426 190 S N -1.602 114.179 115.700 0.136 0.000 2.686 190 S HA 0.277 4.805 4.470 0.097 0.000 0.270 190 S C -1.380 173.267 174.600 0.079 0.000 1.194 190 S CA -0.394 57.876 58.200 0.117 0.000 0.990 190 S CB 1.675 64.986 63.200 0.185 0.000 1.029 190 S HN 0.285 8.692 8.310 0.162 0.000 0.560 191 c N -1.855 116.797 118.600 0.086 0.000 3.293 191 c HA 0.245 4.859 4.570 0.073 0.000 0.362 191 c C -1.542 172.632 174.090 0.139 0.000 1.539 191 c CA -0.541 55.840 56.329 0.087 0.000 1.201 191 c CB 2.803 45.347 42.510 0.058 0.000 1.770 191 c HN 0.295 8.867 8.230 0.103 -0.281 0.440 192 Q N 1.716 121.613 119.800 0.162 0.000 2.333 192 Q HA -0.407 4.069 4.340 0.228 0.000 0.299 192 Q C 1.043 177.234 176.000 0.318 0.000 1.067 192 Q CA 2.173 58.116 55.803 0.233 0.000 0.943 192 Q CB 0.640 29.523 28.738 0.242 0.000 1.233 192 Q HN 0.439 8.786 8.270 0.129 0.000 0.401 193 G N 6.219 115.210 108.800 0.318 0.000 2.258 193 G HA2 -0.460 3.834 3.960 0.293 0.000 0.233 193 G HA3 -0.460 3.812 3.960 0.519 0.000 0.233 193 G C 0.510 175.629 174.900 0.364 0.000 1.006 193 G CA 1.115 46.443 45.100 0.379 0.000 0.620 193 G HN 0.419 8.875 8.290 0.276 0.000 0.511 194 D N 2.527 123.089 120.400 0.270 0.000 2.305 194 D HA 0.066 4.853 4.640 0.244 0.000 0.206 194 D C 0.182 176.579 176.300 0.162 0.000 0.974 194 D CA 1.104 55.230 54.000 0.211 0.000 0.871 194 D CB 0.548 41.440 40.800 0.154 0.000 0.947 194 D HN -0.130 8.270 8.370 0.250 0.120 0.516 195 S N -1.313 114.479 115.700 0.154 0.000 2.599 195 S HA -0.578 4.115 4.470 0.125 -0.149 0.303 195 S C 1.153 175.756 174.600 0.005 0.000 1.267 195 S CA 2.038 60.299 58.200 0.101 0.000 1.055 195 S CB -0.106 63.187 63.200 0.155 0.000 0.790 195 S HN -0.612 7.782 8.310 0.189 0.030 0.500 196 G N 4.465 113.256 108.800 -0.014 0.000 2.241 196 G HA2 -0.453 3.562 3.960 -0.042 0.000 0.244 196 G HA3 -0.453 3.589 3.960 -0.074 -0.127 0.244 196 G C -0.143 174.783 174.900 0.045 0.000 0.998 196 G CA 0.200 45.283 45.100 -0.028 0.000 0.621 196 G HN 0.993 9.193 8.290 0.018 0.102 0.519 197 G N 0.857 109.709 108.800 0.088 0.000 2.588 197 G HA2 0.413 4.508 3.960 0.118 0.000 0.281 197 G HA3 0.413 4.446 3.960 0.122 0.000 0.281 197 G C -2.725 172.257 174.900 0.137 0.000 1.236 197 G CA -2.065 43.106 45.100 0.118 0.000 0.969 197 G HN -0.127 8.048 8.290 0.094 0.172 0.504 198 P HA 0.342 4.971 4.420 0.130 -0.131 0.282 198 P C -1.643 175.725 177.300 0.112 0.000 1.249 198 P CA -0.983 62.209 63.100 0.153 0.000 0.806 198 P CB 1.625 33.474 31.700 0.247 0.000 0.984 199 V N 2.953 122.908 119.914 0.069 0.000 2.357 199 V HA 0.269 4.540 4.120 -0.018 -0.162 0.281 199 V C -1.306 174.794 176.094 0.010 0.000 1.015 199 V CA -0.463 61.836 62.300 -0.002 0.000 0.827 199 V CB 1.434 33.217 31.823 -0.067 0.000 1.018 199 V HN -0.217 8.020 8.190 0.078 0.000 0.432 200 V N 8.173 128.088 119.914 0.002 0.000 2.398 200 V HA 0.646 4.921 4.120 -0.078 -0.202 0.286 200 V C -1.219 174.853 176.094 -0.036 0.000 1.026 200 V CA -1.237 61.032 62.300 -0.051 0.000 0.868 200 V CB 2.598 34.362 31.823 -0.099 0.000 0.982 200 V HN 0.706 8.915 8.190 0.031 0.000 0.443 201 c N 7.404 125.970 118.600 -0.057 0.000 2.498 201 c HA 0.576 5.124 4.570 -0.036 0.000 0.316 201 c C 0.343 174.402 174.090 -0.052 0.000 1.209 201 c CA -1.457 54.840 56.329 -0.054 0.000 1.518 201 c CB 2.752 45.211 42.510 -0.084 0.000 2.147 201 c HN 0.697 8.885 8.230 -0.069 0.000 0.483 202 S N 3.826 119.503 115.700 -0.037 0.000 3.405 202 S HA -0.460 3.998 4.470 -0.020 0.000 0.378 202 S C 0.288 174.867 174.600 -0.035 0.000 1.012 202 S CA 1.274 59.455 58.200 -0.031 0.000 1.144 202 S CB -1.981 61.197 63.200 -0.037 0.000 0.903 202 S HN 1.073 9.365 8.310 -0.029 0.000 0.470 203 G N -5.011 103.765 108.800 -0.040 0.000 2.160 203 G HA2 -0.498 3.423 3.960 -0.064 0.000 0.251 203 G HA3 -0.498 3.439 3.960 -0.038 0.000 0.251 203 G C -1.283 173.562 174.900 -0.091 0.000 1.008 203 G CA 0.283 45.349 45.100 -0.058 0.000 0.724 203 G HN 0.202 8.446 8.290 -0.033 0.026 0.514 210 Q N 1.611 121.428 119.800 0.028 0.000 2.396 210 Q HA 0.198 4.570 4.340 0.052 0.000 0.220 210 Q C -0.201 175.958 176.000 0.266 0.000 0.900 210 Q CA 0.243 56.085 55.803 0.065 0.000 0.925 210 Q CB 2.665 31.364 28.738 -0.064 0.000 1.065 210 Q HN 0.205 8.481 8.270 0.009 0.000 0.535 211 G N -3.291 105.678 108.800 0.282 0.000 2.680 211 G HA2 0.635 5.084 3.960 0.410 0.000 0.290 211 G HA3 0.635 4.837 3.960 0.404 0.000 0.290 211 G C -3.127 171.885 174.900 0.187 0.000 1.355 211 G CA -0.937 44.369 45.100 0.342 0.000 0.903 211 G HN -0.446 7.943 8.290 0.166 0.000 0.474 212 I N -1.181 119.499 120.570 0.183 0.000 2.499 212 I HA 0.558 5.038 4.170 0.154 -0.218 0.288 212 I C -0.589 175.661 176.117 0.223 0.000 1.048 212 I CA -1.299 60.096 61.300 0.157 0.000 1.062 212 I CB 4.445 42.493 38.000 0.081 0.000 1.238 212 I HN -0.370 7.941 8.210 0.169 0.000 0.426 213 V N 7.639 127.699 119.914 0.245 0.000 2.458 213 V HA -0.198 4.017 4.120 0.159 0.000 0.287 213 V C -1.227 174.896 176.094 0.049 0.000 1.009 213 V CA 2.115 64.520 62.300 0.176 0.000 1.091 213 V CB -1.137 30.798 31.823 0.185 0.000 0.960 213 V HN 0.609 8.816 8.190 0.206 0.108 0.476 214 S N 7.300 122.939 115.700 -0.101 0.000 3.226 214 S HA 0.425 5.068 4.470 0.288 0.000 0.195 214 S C -1.519 173.182 174.600 0.169 0.000 0.793 214 S CA 0.973 59.243 58.200 0.117 0.000 0.816 214 S CB 2.407 65.675 63.200 0.113 0.000 0.847 214 S HN -0.227 7.822 8.310 -0.434 0.000 0.630 215 W N -4.078 117.072 121.300 -0.250 0.000 3.179 215 W HA 0.287 4.854 4.660 -0.156 0.000 0.372 215 W C -2.432 173.920 176.519 -0.278 0.000 1.137 215 W CA -1.076 56.132 57.345 -0.229 0.000 1.100 215 W CB 1.480 30.799 29.460 -0.235 0.000 1.503 215 W HN -0.332 7.557 8.180 -0.486 0.000 0.601 216 G N -3.523 105.313 108.800 0.060 0.000 2.368 216 G HA2 0.075 3.735 3.960 -0.500 0.000 0.293 216 G HA3 0.075 3.965 3.960 -0.118 0.000 0.293 216 G C -2.061 172.970 174.900 0.220 0.000 1.467 216 G CA 0.071 45.112 45.100 -0.097 0.000 0.804 216 G HN -0.042 8.488 8.290 0.400 0.000 0.535 220 c N 1.813 120.449 118.600 0.060 0.000 3.359 220 c HA 0.300 5.032 4.570 0.059 -0.127 0.194 220 c C -1.506 172.613 174.090 0.048 0.000 1.659 220 c CA -0.860 55.501 56.329 0.054 0.000 1.338 220 c CB -1.252 41.284 42.510 0.043 0.000 2.109 220 c HN 0.348 8.609 8.230 0.052 0.000 0.518 221 Q N -1.580 118.250 119.800 0.050 0.000 2.896 221 Q HA 0.140 4.498 4.340 0.030 0.000 0.241 221 Q C -1.437 174.582 176.000 0.031 0.000 0.999 221 Q CA -0.599 55.225 55.803 0.036 0.000 0.912 221 Q CB 2.399 31.159 28.738 0.037 0.000 2.012 221 Q HN 0.183 8.488 8.270 0.059 0.000 0.489 222 K N 4.387 124.799 120.400 0.021 0.000 2.448 222 K HA -0.296 4.144 4.320 0.028 -0.102 0.278 222 K C 0.211 176.807 176.600 -0.006 0.000 1.009 222 K CA 0.846 57.142 56.287 0.015 0.000 0.995 222 K CB -0.064 32.442 32.500 0.010 0.000 0.917 222 K HN 0.297 8.558 8.250 0.018 0.000 0.481 223 N N 1.759 120.453 118.700 -0.010 0.000 2.765 223 N HA -0.488 4.228 4.740 -0.041 0.000 0.248 223 N C -1.638 173.801 175.510 -0.119 0.000 1.063 223 N CA 1.806 54.824 53.050 -0.053 0.000 0.862 223 N CB -0.293 38.158 38.487 -0.060 0.000 1.145 223 N HN 0.718 8.983 8.380 0.011 0.122 0.581 224 K N -1.858 118.497 120.400 -0.075 0.000 2.624 224 K HA 0.550 4.660 4.320 -0.349 0.000 0.200 224 K C -2.410 174.226 176.600 0.060 0.000 1.036 224 K CA -3.429 52.800 56.287 -0.098 0.000 1.029 224 K CB 0.081 32.574 32.500 -0.012 0.000 1.317 224 K HN -0.662 7.508 8.250 -0.018 0.069 0.555 225 P HA -0.033 4.444 4.420 0.095 0.000 0.273 225 P C -0.554 176.780 177.300 0.057 0.000 1.250 225 P CA -0.469 62.692 63.100 0.102 0.000 0.793 225 P CB 1.181 32.932 31.700 0.085 0.000 1.011 226 G N -2.218 106.580 108.800 -0.003 0.000 2.467 226 G HA2 0.288 4.115 3.960 -0.392 0.000 0.257 226 G HA3 0.288 4.087 3.960 -0.268 0.000 0.257 226 G C -1.788 172.781 174.900 -0.551 0.000 1.227 226 G CA -0.620 44.293 45.100 -0.311 0.000 0.835 226 G HN -0.360 7.992 8.290 0.103 0.000 0.556 227 V N 2.614 121.878 119.914 -1.083 0.000 2.495 227 V HA 0.626 4.510 4.120 -0.667 -0.165 0.298 227 V C -1.005 174.357 176.094 -1.220 0.000 1.031 227 V CA -0.963 60.671 62.300 -1.111 0.000 0.871 227 V CB 2.195 32.882 31.823 -1.894 0.000 0.988 227 V HN 0.480 7.980 8.190 -1.151 0.000 0.432 228 Y N 5.035 124.930 120.300 -0.674 0.000 2.499 228 Y HA 0.527 4.987 4.550 -0.369 -0.131 0.347 228 Y C 0.302 175.922 175.900 -0.466 0.000 0.987 228 Y CA -2.238 55.477 58.100 -0.642 0.000 1.044 228 Y CB 3.788 41.602 38.460 -1.075 0.000 1.245 228 Y HN 1.061 8.987 8.280 -0.591 0.000 0.461 229 T N 4.896 119.423 114.554 -0.044 0.000 2.870 229 T HA -0.008 4.565 4.350 0.105 -0.160 0.300 229 T C -0.527 174.296 174.700 0.205 0.000 0.989 229 T CA 1.632 63.779 62.100 0.078 0.000 1.139 229 T CB 0.482 69.366 68.868 0.026 0.000 0.920 229 T HN 0.416 8.659 8.240 0.005 0.000 0.537 230 K N 8.309 128.918 120.400 0.349 0.000 2.142 230 K HA 0.117 4.851 4.320 0.690 0.000 0.250 230 K C 0.982 177.836 176.600 0.423 0.000 1.148 230 K CA -0.652 55.920 56.287 0.477 0.000 1.040 230 K CB -0.508 32.225 32.500 0.389 0.000 1.569 230 K HN 0.149 8.496 8.250 0.326 0.099 0.361 231 V N 5.575 125.713 119.914 0.374 0.000 2.380 231 V HA -0.574 3.808 4.120 0.436 0.000 0.251 231 V C 1.407 177.664 176.094 0.271 0.000 1.063 231 V CA 4.053 66.554 62.300 0.335 0.000 1.055 231 V CB -0.369 31.583 31.823 0.216 0.000 0.657 231 V HN 0.253 8.676 8.190 0.388 0.000 0.455 232 c N -3.106 115.594 118.600 0.168 0.000 2.409 232 c HA -0.248 4.370 4.570 0.081 0.000 0.284 232 c C 1.619 175.744 174.090 0.058 0.000 1.354 232 c CA 1.931 58.312 56.329 0.087 0.000 1.787 232 c CB -2.034 40.495 42.510 0.033 0.000 1.900 232 c HN 0.476 8.790 8.230 0.163 0.014 0.520 233 N N 0.692 119.412 118.700 0.034 0.000 2.461 233 N HA -0.059 4.609 4.740 -0.120 0.000 0.188 233 N C 0.177 175.489 175.510 -0.329 0.000 1.134 233 N CA 0.864 53.804 53.050 -0.182 0.000 0.878 233 N CB -0.218 38.054 38.487 -0.358 0.000 0.972 233 N HN -0.116 8.188 8.380 0.122 0.150 0.456 234 Y N -4.231 116.132 120.300 0.105 0.000 2.557 234 Y HA 0.158 4.831 4.550 0.204 0.000 0.247 234 Y C -0.001 176.035 175.900 0.227 0.000 1.164 234 Y CA -0.475 57.742 58.100 0.195 0.000 1.218 234 Y CB 0.074 38.662 38.460 0.214 0.000 1.210 234 Y HN -0.013 8.216 8.280 0.243 0.196 0.529 235 V N 1.548 121.596 119.914 0.224 0.000 2.287 235 V HA -0.580 3.632 4.120 0.154 0.000 0.248 235 V C 1.471 177.637 176.094 0.119 0.000 1.053 235 V CA 5.337 67.726 62.300 0.148 0.000 1.027 235 V CB -0.528 31.343 31.823 0.080 0.000 0.646 235 V HN -0.898 7.327 8.190 0.159 0.060 0.447 236 S N -0.471 115.299 115.700 0.117 0.000 2.368 236 S HA -0.340 4.155 4.470 0.041 0.000 0.225 236 S C 2.045 176.722 174.600 0.128 0.000 1.030 236 S CA 3.836 62.089 58.200 0.088 0.000 0.999 236 S CB -0.313 62.935 63.200 0.080 0.000 0.844 236 S HN 0.241 8.617 8.310 0.111 0.000 0.459 237 W N 3.731 125.065 121.300 0.057 0.000 2.381 237 W HA -0.114 4.574 4.660 0.047 0.000 0.301 237 W C 1.741 178.280 176.519 0.033 0.000 1.205 237 W CA 3.166 60.559 57.345 0.080 0.000 1.285 237 W CB -0.140 29.448 29.460 0.215 0.000 1.133 237 W HN -0.311 8.084 8.180 0.370 0.007 0.521 238 I N -0.698 119.901 120.570 0.049 0.000 2.127 238 I HA -0.777 3.042 4.170 -0.585 0.000 0.241 238 I C 1.904 177.792 176.117 -0.381 0.000 1.075 238 I CA 4.620 65.767 61.300 -0.255 0.000 1.334 238 I CB -0.215 37.794 38.000 0.016 0.000 1.040 238 I HN 0.495 8.912 8.210 0.345 0.000 0.405 239 K N -1.037 119.240 120.400 -0.205 0.000 2.009 239 K HA -0.459 3.720 4.320 -0.235 0.000 0.210 239 K C 2.664 179.116 176.600 -0.247 0.000 1.049 239 K CA 3.852 60.017 56.287 -0.203 0.000 0.929 239 K CB -0.390 32.052 32.500 -0.096 0.000 0.714 239 K HN -0.236 7.961 8.250 -0.089 0.000 0.440 240 Q N -1.477 118.192 119.800 -0.218 0.000 2.050 240 Q HA -0.312 3.938 4.340 -0.150 0.000 0.202 240 Q C 2.668 178.479 176.000 -0.315 0.000 0.980 240 Q CA 3.339 59.020 55.803 -0.204 0.000 0.840 240 Q CB 0.006 28.675 28.738 -0.115 0.000 0.898 240 Q HN 0.208 8.272 8.270 -0.165 0.107 0.424 241 T N 2.653 116.888 114.554 -0.531 0.000 2.788 241 T HA -0.236 3.867 4.350 -0.412 0.000 0.268 241 T C 2.558 176.923 174.700 -0.557 0.000 1.044 241 T CA 4.796 66.531 62.100 -0.608 0.000 1.139 241 T CB -0.217 67.962 68.868 -1.147 0.000 0.867 241 T HN 0.227 7.969 8.240 -0.645 0.110 0.454 242 I N 1.286 121.442 120.570 -0.689 0.000 2.286 242 I HA -0.413 3.006 4.170 -1.252 0.000 0.245 242 I C 1.395 177.289 176.117 -0.371 0.000 1.104 242 I CA 3.327 64.115 61.300 -0.853 0.000 1.397 242 I CB -0.317 37.115 38.000 -0.946 0.000 1.072 242 I HN 0.200 7.901 8.210 -0.659 0.113 0.417 243 A N 0.682 123.336 122.820 -0.277 0.000 1.865 243 A HA -0.239 4.017 4.320 -0.106 0.000 0.217 243 A C 1.502 179.035 177.584 -0.085 0.000 1.191 243 A CA 3.175 55.129 52.037 -0.140 0.000 0.623 243 A CB -0.216 18.711 19.000 -0.122 0.000 0.826 243 A HN 0.321 8.104 8.150 -0.324 0.173 0.444 244 S N -3.798 111.840 115.700 -0.103 0.000 2.786 244 S HA -0.049 4.404 4.470 -0.028 0.000 0.223 244 S C -0.209 174.388 174.600 -0.005 0.000 0.956 244 S CA 0.800 58.971 58.200 -0.049 0.000 0.961 244 S CB -0.086 63.079 63.200 -0.058 0.000 0.784 244 S HN -0.004 8.213 8.310 -0.156 0.000 0.519 245 N N 0.000 118.719 118.700 0.032 0.000 1.763 245 N HA 0.000 4.805 4.740 0.109 0.000 0.220 245 N CA 0.000 53.142 53.050 0.153 0.000 0.885 245 N CB 0.000 38.651 38.487 0.273 0.000 1.341 245 N HN 0.000 8.187 8.380 -0.001 0.192 0.667