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 2i3e_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSHMELPLFF GWFLLPEEEE RIKCATMDFL KTLDTLEAFK EHISEFTGEA DATA SEQUENCE EKEVDLEQYF QNPLQLHCTT KFCDYGKAEG AKEYAELQVV KESLTKSYEL DATA SEQUENCE SVTALIVTPR TFGARVALTE AQVKLWPEGA DKEGVAPALL PSVEALPAGS DATA SEQUENCE RAHVTLGCSA GVETVQTGLD LLEILALQKE GKEGTQVEMD LGTLTYLSEG DATA SEQUENCE RWFLALREPI NADTTFTSFS ED 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 1 G C 0.000 174.895 174.900 -0.008 0.000 0.946 1 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 2 S N -2.461 113.242 115.700 0.006 0.000 3.472 2 S HA 0.319 4.792 4.470 0.005 0.000 0.247 2 S C -0.298 174.321 174.600 0.033 0.000 1.084 2 S CA 0.416 58.631 58.200 0.025 0.000 0.795 2 S CB 0.893 64.126 63.200 0.056 0.000 0.892 2 S HN 0.381 8.699 8.310 0.014 0.000 0.513 3 H N -0.488 118.589 119.070 0.011 0.000 3.037 3 H HA 0.234 4.803 4.556 0.021 0.000 0.336 3 H C -1.534 173.808 175.328 0.023 0.000 1.323 3 H CA -0.522 55.537 56.048 0.019 0.000 1.159 3 H CB 1.576 31.349 29.762 0.018 0.000 1.882 3 H HN -0.388 7.959 8.280 0.113 0.000 0.535 4 M N 2.580 122.343 119.600 0.272 0.000 3.102 4 M HA -0.127 4.424 4.480 0.119 0.000 0.269 4 M C -0.210 176.173 176.300 0.137 0.000 1.551 4 M CA 0.713 56.117 55.300 0.172 0.000 1.629 4 M CB -1.494 31.210 32.600 0.173 0.000 1.324 4 M HN 0.357 8.879 8.290 0.386 0.000 0.509 5 E N 1.769 122.029 120.200 0.099 0.000 2.815 5 E HA 0.242 4.632 4.350 0.065 0.000 0.211 5 E C -0.812 175.819 176.600 0.051 0.000 1.004 5 E CA -0.823 55.617 56.400 0.066 0.000 1.173 5 E CB -0.182 29.548 29.700 0.049 0.000 1.163 5 E HN 0.071 8.462 8.360 0.093 0.025 0.449 6 L N 0.153 121.410 121.223 0.057 0.000 2.344 6 L HA 0.320 4.671 4.340 0.019 0.000 0.272 6 L C -1.655 175.252 176.870 0.062 0.000 1.035 6 L CA -3.327 51.536 54.840 0.038 0.000 0.807 6 L CB 0.537 42.609 42.059 0.022 0.000 1.237 6 L HN -0.592 7.610 8.230 0.072 0.071 0.442 7 P HA -0.078 4.418 4.420 0.125 0.000 0.272 7 P C -1.666 175.696 177.300 0.104 0.000 1.223 7 P CA -0.152 62.998 63.100 0.084 0.000 0.784 7 P CB 0.991 32.711 31.700 0.034 0.000 0.923 8 L N -1.681 119.632 121.223 0.149 0.000 2.624 8 L HA 0.366 4.798 4.340 0.154 0.000 0.222 8 L C -0.630 176.361 176.870 0.202 0.000 1.046 8 L CA 0.310 55.248 54.840 0.163 0.000 0.872 8 L CB 3.047 45.190 42.059 0.140 0.000 1.190 8 L HN -0.007 8.333 8.230 0.183 0.000 0.487 9 F N -1.544 118.398 119.950 -0.014 0.000 2.547 9 F HA 0.324 4.592 4.527 -0.431 0.000 0.316 9 F C -3.110 172.717 175.800 0.044 0.000 1.121 9 F CA -1.940 55.947 58.000 -0.189 0.000 0.911 9 F CB 3.393 42.240 39.000 -0.256 0.000 1.179 9 F HN -0.700 7.758 8.300 0.263 0.000 0.443 10 F N 7.079 126.548 119.950 -0.802 0.000 2.538 10 F HA 0.577 4.877 4.527 -0.378 0.000 0.325 10 F C -1.739 173.551 175.800 -0.849 0.000 1.066 10 F CA -2.915 54.744 58.000 -0.568 0.000 0.946 10 F CB 4.454 43.348 39.000 -0.178 0.000 1.199 10 F HN -0.133 7.835 8.300 -0.553 0.000 0.473 11 G N 1.395 109.561 108.800 -1.057 0.000 2.368 11 G HA2 0.298 3.682 3.960 -0.960 0.000 0.293 11 G HA3 0.298 3.819 3.960 -0.839 -0.064 0.293 11 G C -3.319 171.250 174.900 -0.551 0.000 1.467 11 G CA 0.783 45.349 45.100 -0.890 0.000 0.804 11 G HN 0.253 7.758 8.290 -1.307 0.000 0.535 12 W N -3.111 117.988 121.300 -0.335 0.000 2.656 12 W HA 0.888 5.616 4.660 -0.181 -0.177 0.327 12 W C -2.377 174.168 176.519 0.042 0.000 1.041 12 W CA -3.445 53.748 57.345 -0.254 0.000 1.229 12 W CB 1.627 30.715 29.460 -0.620 0.000 1.397 12 W HN 0.154 7.586 8.180 -1.246 0.000 0.479 13 F N 2.808 122.808 119.950 0.084 0.000 2.413 13 F HA 0.215 4.796 4.527 0.090 0.000 0.359 13 F C 0.453 176.324 175.800 0.119 0.000 1.122 13 F CA -1.446 56.608 58.000 0.090 0.000 1.160 13 F CB 0.287 39.319 39.000 0.053 0.000 1.146 13 F HN 0.009 8.625 8.300 0.525 0.000 0.514 14 L N 0.996 122.341 121.223 0.203 0.000 2.485 14 L HA -0.096 4.330 4.340 0.144 0.000 0.275 14 L C -0.525 176.409 176.870 0.107 0.000 1.207 14 L CA -0.268 54.656 54.840 0.139 0.000 0.855 14 L CB 0.012 42.122 42.059 0.085 0.000 1.114 14 L HN 0.063 8.354 8.230 0.101 0.000 0.485 15 L N 2.107 123.373 121.223 0.071 0.000 2.485 15 L HA 0.139 4.523 4.340 0.073 0.000 0.275 15 L C -0.325 176.571 176.870 0.043 0.000 1.207 15 L CA -1.235 53.638 54.840 0.055 0.000 0.855 15 L CB 1.007 43.083 42.059 0.027 0.000 1.114 15 L HN -0.237 8.024 8.230 0.052 0.000 0.485 16 P HA -0.265 4.175 4.420 0.034 0.000 0.218 16 P C 1.321 178.632 177.300 0.018 0.000 1.146 16 P CA 2.530 65.649 63.100 0.033 0.000 0.820 16 P CB 0.031 31.751 31.700 0.034 0.000 0.778 17 E N -2.667 117.542 120.200 0.015 0.000 2.046 17 E HA -0.245 4.108 4.350 0.006 0.000 0.190 17 E C 2.404 179.007 176.600 0.005 0.000 0.982 17 E CA 3.248 59.652 56.400 0.007 0.000 0.800 17 E CB -0.458 29.244 29.700 0.005 0.000 0.756 17 E HN 0.494 8.822 8.360 0.018 0.043 0.449 18 E N -0.852 119.352 120.200 0.006 0.000 2.051 18 E HA -0.339 4.011 4.350 0.001 0.000 0.192 18 E C 2.387 178.988 176.600 0.001 0.000 0.991 18 E CA 2.589 58.992 56.400 0.004 0.000 0.799 18 E CB -0.632 29.072 29.700 0.007 0.000 0.748 18 E HN -0.481 7.808 8.360 0.010 0.077 0.449 19 E N -2.192 118.009 120.200 0.002 0.000 2.171 19 E HA -0.484 3.858 4.350 -0.014 0.000 0.197 19 E C 2.268 178.860 176.600 -0.013 0.000 0.997 19 E CA 3.634 60.029 56.400 -0.009 0.000 0.810 19 E CB -0.860 28.834 29.700 -0.011 0.000 0.738 19 E HN -0.236 8.130 8.360 0.009 0.000 0.467 20 E N -0.390 119.806 120.200 -0.007 0.000 2.047 20 E HA -0.305 4.038 4.350 -0.012 0.000 0.191 20 E C 2.393 178.988 176.600 -0.009 0.000 0.987 20 E CA 3.188 59.583 56.400 -0.008 0.000 0.799 20 E CB -0.391 29.307 29.700 -0.003 0.000 0.752 20 E HN -0.695 7.549 8.360 -0.002 0.116 0.449 21 R N -0.970 119.527 120.500 -0.005 0.000 2.062 21 R HA -0.197 4.142 4.340 -0.003 0.000 0.229 21 R C 2.775 179.072 176.300 -0.004 0.000 1.128 21 R CA 2.628 58.726 56.100 -0.003 0.000 0.960 21 R CB -0.061 30.238 30.300 -0.001 0.000 0.855 21 R HN -0.661 7.529 8.270 -0.003 0.078 0.432 22 I N -0.300 120.266 120.570 -0.006 0.000 2.179 22 I HA -0.546 3.623 4.170 -0.002 0.000 0.242 22 I C 1.498 177.603 176.117 -0.020 0.000 1.088 22 I CA 4.207 65.502 61.300 -0.008 0.000 1.357 22 I CB -0.337 37.659 38.000 -0.007 0.000 1.051 22 I HN 0.645 8.739 8.210 -0.006 0.112 0.409 23 K N 0.377 120.759 120.400 -0.030 0.000 2.063 23 K HA -0.324 3.953 4.320 -0.071 0.000 0.208 23 K C 2.110 178.688 176.600 -0.035 0.000 1.048 23 K CA 3.635 59.893 56.287 -0.048 0.000 0.928 23 K CB -0.370 32.102 32.500 -0.047 0.000 0.713 23 K HN -0.076 8.048 8.250 -0.025 0.111 0.442 24 C N -1.826 117.462 119.300 -0.019 0.000 2.425 24 C HA -0.317 4.135 4.460 -0.014 0.000 0.277 24 C C 2.103 177.096 174.990 0.004 0.000 1.280 24 C CA 4.687 63.699 59.018 -0.009 0.000 1.744 24 C CB -0.563 27.174 27.740 -0.005 0.000 1.989 24 C HN -0.468 7.752 8.230 -0.017 0.000 0.491 25 A N -0.175 122.651 122.820 0.010 0.000 1.897 25 A HA -0.223 4.122 4.320 0.042 0.000 0.215 25 A C 1.431 179.051 177.584 0.060 0.000 1.181 25 A CA 3.132 55.189 52.037 0.034 0.000 0.620 25 A CB -0.589 18.427 19.000 0.026 0.000 0.821 25 A HN -0.248 7.787 8.150 0.001 0.116 0.443 26 T N 2.073 116.639 114.554 0.020 0.000 2.708 26 T HA -0.475 3.917 4.350 0.070 0.000 0.266 26 T C 2.032 176.763 174.700 0.051 0.000 1.037 26 T CA 4.818 66.927 62.100 0.015 0.000 1.146 26 T CB -0.197 68.596 68.868 -0.126 0.000 0.865 26 T HN -0.168 8.068 8.240 -0.008 0.000 0.435 27 M N 1.005 120.602 119.600 -0.006 0.000 2.086 27 M HA -0.359 4.103 4.480 -0.031 0.000 0.261 27 M C 1.600 177.910 176.300 0.017 0.000 1.067 27 M CA 3.289 58.582 55.300 -0.011 0.000 1.116 27 M CB -0.359 32.224 32.600 -0.027 0.000 1.348 27 M HN -0.058 8.217 8.290 -0.025 0.000 0.407 28 D N -0.865 119.556 120.400 0.035 0.000 2.182 28 D HA -0.316 4.320 4.640 -0.007 0.000 0.201 28 D C 2.043 178.370 176.300 0.044 0.000 0.986 28 D CA 3.681 57.698 54.000 0.027 0.000 0.847 28 D CB -0.010 40.812 40.800 0.036 0.000 0.942 28 D HN -0.610 7.780 8.370 0.034 0.000 0.467 29 F N 1.040 120.969 119.950 -0.035 0.000 2.084 29 F HA -0.476 4.033 4.527 -0.031 0.000 0.296 29 F C 0.988 176.742 175.800 -0.077 0.000 1.111 29 F CA 3.805 61.788 58.000 -0.028 0.000 1.224 29 F CB 0.158 39.177 39.000 0.031 0.000 0.991 29 F HN -0.489 7.839 8.300 0.243 0.117 0.471 30 L N -1.746 119.465 121.223 -0.020 0.000 2.129 30 L HA -0.554 3.583 4.340 -0.338 0.000 0.212 30 L C 2.298 178.976 176.870 -0.320 0.000 1.087 30 L CA 3.580 58.302 54.840 -0.196 0.000 0.757 30 L CB -0.606 41.437 42.059 -0.027 0.000 0.896 30 L HN -0.162 8.200 8.230 0.220 0.000 0.434 31 K N -0.963 119.310 120.400 -0.211 0.000 2.031 31 K HA -0.268 3.939 4.320 -0.188 0.000 0.205 31 K C 2.389 178.841 176.600 -0.247 0.000 1.049 31 K CA 3.491 59.663 56.287 -0.192 0.000 0.939 31 K CB -0.097 32.336 32.500 -0.111 0.000 0.717 31 K HN -0.440 7.625 8.250 -0.133 0.105 0.438 32 T N 2.451 116.844 114.554 -0.269 0.000 2.904 32 T HA -0.236 3.997 4.350 -0.195 0.000 0.267 32 T C 2.472 176.934 174.700 -0.396 0.000 1.059 32 T CA 4.452 66.391 62.100 -0.267 0.000 1.137 32 T CB 0.041 68.788 68.868 -0.201 0.000 0.879 32 T HN -0.240 7.781 8.240 -0.243 0.073 0.467 33 L N 1.175 122.004 121.223 -0.657 0.000 2.093 33 L HA -0.324 3.633 4.340 -0.638 0.000 0.208 33 L C 0.238 176.639 176.870 -0.782 0.000 1.085 33 L CA 3.190 57.536 54.840 -0.824 0.000 0.755 33 L CB -0.129 41.184 42.059 -1.244 0.000 0.904 33 L HN 0.436 8.103 8.230 -0.727 0.126 0.435 34 D N -4.224 115.754 120.400 -0.703 0.000 2.149 34 D HA -0.166 4.068 4.640 -0.677 0.000 0.201 34 D C 1.557 177.707 176.300 -0.250 0.000 0.972 34 D CA 2.401 56.090 54.000 -0.518 0.000 0.835 34 D CB 0.415 40.989 40.800 -0.377 0.000 0.966 34 D HN -0.532 7.463 8.370 -0.625 0.000 0.476 35 T N -1.288 113.132 114.554 -0.223 0.000 2.867 35 T HA -0.204 4.083 4.350 -0.105 0.000 0.268 35 T C 0.974 175.612 174.700 -0.105 0.000 1.057 35 T CA 1.839 63.858 62.100 -0.135 0.000 1.136 35 T CB 0.202 68.996 68.868 -0.122 0.000 0.874 35 T HN -0.586 7.492 8.240 -0.270 0.000 0.466 36 L N 1.809 122.953 121.223 -0.132 0.000 2.453 36 L HA -0.046 4.258 4.340 -0.061 0.000 0.272 36 L C 1.407 178.263 176.870 -0.023 0.000 1.182 36 L CA 0.267 55.061 54.840 -0.077 0.000 0.858 36 L CB 0.206 42.209 42.059 -0.094 0.000 1.120 36 L HN -0.631 7.359 8.230 -0.205 0.117 0.474 37 E N 4.081 124.277 120.200 -0.007 0.000 2.152 37 E HA -0.330 4.026 4.350 0.009 0.000 0.192 37 E C 1.971 178.594 176.600 0.038 0.000 0.983 37 E CA 3.480 59.888 56.400 0.012 0.000 0.818 37 E CB -0.149 29.555 29.700 0.008 0.000 0.758 37 E HN 0.618 8.971 8.360 -0.013 0.000 0.467 38 A N -1.103 121.744 122.820 0.046 0.000 1.908 38 A HA -0.254 4.133 4.320 0.112 0.000 0.218 38 A C 1.768 179.385 177.584 0.056 0.000 1.181 38 A CA 3.240 55.323 52.037 0.077 0.000 0.627 38 A CB -0.735 18.302 19.000 0.062 0.000 0.818 38 A HN 0.166 8.310 8.150 0.027 0.023 0.445 39 F N -1.848 117.980 119.950 -0.204 0.000 2.098 39 F HA -0.329 3.760 4.527 -0.731 0.000 0.294 39 F C 1.843 177.451 175.800 -0.320 0.000 1.107 39 F CA 2.466 60.192 58.000 -0.457 0.000 1.234 39 F CB 0.185 38.862 39.000 -0.537 0.000 1.002 39 F HN -0.747 7.606 8.300 0.088 0.000 0.472 40 K N -1.517 118.935 120.400 0.086 0.000 2.211 40 K HA -0.363 3.972 4.320 0.026 0.000 0.204 40 K C 2.668 179.219 176.600 -0.081 0.000 1.047 40 K CA 3.129 59.424 56.287 0.013 0.000 0.935 40 K CB -0.687 31.839 32.500 0.042 0.000 0.728 40 K HN -0.443 7.908 8.250 0.169 0.000 0.452 41 E N -1.240 118.937 120.200 -0.038 0.000 2.150 41 E HA -0.189 4.121 4.350 -0.065 0.000 0.193 41 E C 1.133 177.648 176.600 -0.142 0.000 0.985 41 E CA 2.376 58.750 56.400 -0.044 0.000 0.814 41 E CB 0.140 29.865 29.700 0.042 0.000 0.752 41 E HN -0.067 8.266 8.360 0.004 0.029 0.466 42 H N -3.272 115.660 119.070 -0.229 0.000 2.542 42 H HA 0.212 4.721 4.556 -0.078 0.000 0.283 42 H C 0.069 175.213 175.328 -0.308 0.000 1.059 42 H CA -0.466 55.469 56.048 -0.187 0.000 1.162 42 H CB 0.481 30.217 29.762 -0.043 0.000 1.539 42 H HN -0.329 7.789 8.280 -0.037 0.140 0.543 43 I N 0.598 120.968 120.570 -0.334 0.000 2.264 43 I HA -0.432 3.358 4.170 -0.633 0.000 0.248 43 I C 0.592 176.677 176.117 -0.054 0.000 1.111 43 I CA 3.511 64.611 61.300 -0.334 0.000 1.382 43 I CB 0.060 37.934 38.000 -0.211 0.000 1.060 43 I HN -0.734 7.103 8.210 -0.291 0.199 0.418 44 S N -1.442 114.236 115.700 -0.037 0.000 2.383 44 S HA -0.406 4.073 4.470 0.016 0.000 0.229 44 S C 1.317 175.951 174.600 0.056 0.000 1.030 44 S CA 3.210 61.415 58.200 0.008 0.000 1.002 44 S CB -0.448 62.741 63.200 -0.018 0.000 0.829 44 S HN 0.087 8.335 8.310 -0.077 0.016 0.467 45 E N 0.392 120.650 120.200 0.098 0.000 2.158 45 E HA -0.196 4.229 4.350 0.125 0.000 0.191 45 E C 1.382 178.124 176.600 0.238 0.000 0.982 45 E CA 1.769 58.277 56.400 0.179 0.000 0.823 45 E CB -0.151 29.715 29.700 0.278 0.000 0.766 45 E HN -0.649 7.640 8.360 0.071 0.112 0.468 46 F N -0.914 119.084 119.950 0.081 0.000 2.149 46 F HA -0.136 4.538 4.527 0.245 0.000 0.294 46 F C 1.356 177.187 175.800 0.051 0.000 1.095 46 F CA 2.404 60.458 58.000 0.089 0.000 1.276 46 F CB 1.101 40.004 39.000 -0.162 0.000 1.023 46 F HN -0.519 7.840 8.300 0.255 0.095 0.480 47 T N -6.019 108.693 114.554 0.263 0.000 3.100 47 T HA 0.042 4.411 4.350 0.032 0.000 0.253 47 T C 1.041 175.753 174.700 0.022 0.000 1.118 47 T CA 0.915 63.092 62.100 0.130 0.000 1.058 47 T CB 1.472 70.455 68.868 0.192 0.000 0.953 47 T HN 0.350 8.654 8.240 0.300 0.116 0.515 48 G N 1.510 110.327 108.800 0.029 0.000 2.187 48 G HA2 -0.369 3.652 3.960 0.025 0.000 0.261 48 G HA3 -0.369 3.584 3.960 -0.011 0.000 0.261 48 G C -0.579 174.325 174.900 0.008 0.000 1.000 48 G CA 0.621 45.727 45.100 0.011 0.000 0.718 48 G HN -0.524 7.637 8.290 0.066 0.168 0.519 49 E N -4.174 116.036 120.200 0.017 0.000 2.240 49 E HA -0.565 3.793 4.350 0.013 0.000 0.194 49 E C -0.986 175.613 176.600 -0.000 0.000 1.385 49 E CA 0.890 57.295 56.400 0.009 0.000 0.686 49 E CB -1.998 27.704 29.700 0.004 0.000 1.125 49 E HN -0.295 8.029 8.360 0.034 0.056 0.359 50 A N -0.400 122.417 122.820 -0.004 0.000 2.730 50 A HA 0.170 4.484 4.320 -0.011 0.000 0.280 50 A C -1.910 175.660 177.584 -0.023 0.000 1.307 50 A CA 0.666 52.695 52.037 -0.015 0.000 0.933 50 A CB 0.769 19.756 19.000 -0.022 0.000 1.431 50 A HN -0.139 8.013 8.150 0.004 0.000 0.601 51 E N -0.152 120.040 120.200 -0.013 0.000 3.542 51 E HA 0.077 4.405 4.350 -0.037 0.000 0.228 51 E C -0.658 175.939 176.600 -0.005 0.000 1.260 51 E CA 0.505 56.895 56.400 -0.017 0.000 1.344 51 E CB 0.927 30.623 29.700 -0.006 0.000 2.701 51 E HN -0.127 8.230 8.360 -0.004 0.000 0.629 52 K N -1.655 118.749 120.400 0.007 0.000 2.619 52 K HA 0.051 4.374 4.320 0.006 0.000 0.218 52 K C -0.847 175.761 176.600 0.014 0.000 2.664 52 K CA 0.299 56.592 56.287 0.009 0.000 1.426 52 K CB 0.291 32.798 32.500 0.011 0.000 2.917 52 K HN -0.075 8.183 8.250 0.013 0.000 0.403 53 E N 0.478 120.690 120.200 0.021 0.000 3.990 53 E HA 0.140 4.501 4.350 0.019 0.000 0.246 53 E C -1.397 175.222 176.600 0.033 0.000 1.179 53 E CA 0.085 56.498 56.400 0.022 0.000 1.287 53 E CB 0.118 29.828 29.700 0.017 0.000 1.241 53 E HN -0.029 8.346 8.360 0.024 0.000 0.406 54 V N 0.513 120.455 119.914 0.047 0.000 4.614 54 V HA -0.453 3.727 4.120 0.100 0.000 0.246 54 V C -0.902 175.236 176.094 0.074 0.000 0.564 54 V CA 0.800 63.144 62.300 0.073 0.000 0.790 54 V CB -0.133 31.729 31.823 0.064 0.000 0.747 54 V HN 0.074 8.290 8.190 0.043 0.000 1.119 55 D N -0.159 120.281 120.400 0.067 0.000 2.363 55 D HA -0.172 4.511 4.640 0.071 0.000 0.220 55 D C 1.127 177.496 176.300 0.116 0.000 0.994 55 D CA 1.760 55.807 54.000 0.079 0.000 0.890 55 D CB -0.035 40.808 40.800 0.072 0.000 0.906 55 D HN 0.298 8.684 8.370 0.054 0.017 0.530 56 L N -2.776 118.510 121.223 0.105 0.000 2.129 56 L HA -0.369 3.963 4.340 -0.014 0.000 0.212 56 L C 1.224 178.218 176.870 0.207 0.000 1.087 56 L CA 2.726 57.621 54.840 0.091 0.000 0.757 56 L CB -0.454 41.688 42.059 0.139 0.000 0.896 56 L HN -0.066 8.160 8.230 0.099 0.064 0.434 57 E N -2.550 117.784 120.200 0.222 0.000 2.150 57 E HA -0.296 4.278 4.350 0.373 0.000 0.193 57 E C 1.622 178.352 176.600 0.217 0.000 0.985 57 E CA 2.311 58.854 56.400 0.237 0.000 0.814 57 E CB -0.775 28.979 29.700 0.090 0.000 0.752 57 E HN -0.434 8.002 8.360 0.173 0.028 0.466 58 Q N -2.699 117.197 119.800 0.161 0.000 2.339 58 Q HA -0.121 4.283 4.340 0.106 0.000 0.205 58 Q C 1.105 177.193 176.000 0.147 0.000 0.925 58 Q CA 1.245 57.123 55.803 0.124 0.000 0.898 58 Q CB 1.094 29.877 28.738 0.075 0.000 1.013 58 Q HN -0.490 7.739 8.270 0.144 0.127 0.504 59 Y N -0.131 120.188 120.300 0.031 0.000 2.128 59 Y HA -0.289 4.260 4.550 -0.002 0.000 0.284 59 Y C 0.855 176.773 175.900 0.030 0.000 1.154 59 Y CA 2.667 60.757 58.100 -0.018 0.000 1.149 59 Y CB 0.357 38.751 38.460 -0.110 0.000 0.976 59 Y HN -0.211 8.033 8.280 0.258 0.191 0.505 60 F N -1.729 118.393 119.950 0.286 0.000 2.629 60 F HA -0.220 4.440 4.527 0.222 0.000 0.377 60 F C -0.052 175.744 175.800 -0.007 0.000 1.101 60 F CA 2.138 60.242 58.000 0.173 0.000 1.301 60 F CB 0.092 39.224 39.000 0.221 0.000 1.062 60 F HN -0.846 7.677 8.300 0.371 0.000 0.583 61 Q N 3.761 123.692 119.800 0.218 0.000 2.271 61 Q HA 0.184 4.540 4.340 0.027 0.000 0.258 61 Q C -1.090 174.933 176.000 0.038 0.000 0.936 61 Q CA -0.833 55.006 55.803 0.060 0.000 0.909 61 Q CB 2.768 31.506 28.738 -0.001 0.000 1.253 61 Q HN 0.298 8.770 8.270 0.336 0.000 0.440 62 N N 6.782 125.475 118.700 -0.011 0.000 2.476 62 N HA 0.777 5.721 4.740 -0.064 -0.242 0.257 62 N C -1.672 173.813 175.510 -0.042 0.000 0.970 62 N CA -2.470 50.548 53.050 -0.053 0.000 0.938 62 N CB 1.555 39.988 38.487 -0.090 0.000 1.144 62 N HN 0.367 8.741 8.380 -0.011 0.000 0.500 63 P HA 0.061 4.473 4.420 -0.014 0.000 0.275 63 P C -0.661 176.617 177.300 -0.036 0.000 1.228 63 P CA -0.514 62.568 63.100 -0.029 0.000 0.786 63 P CB 0.691 32.375 31.700 -0.028 0.000 0.927 64 L N 1.588 122.802 121.223 -0.015 0.000 1.913 64 L HA -0.158 4.171 4.340 -0.019 0.000 0.217 64 L C 0.232 177.094 176.870 -0.013 0.000 1.086 64 L CA 2.153 56.987 54.840 -0.010 0.000 0.772 64 L CB -0.128 41.935 42.059 0.007 0.000 0.887 64 L HN -0.007 8.221 8.230 -0.003 0.000 0.432 65 Q N -1.446 118.361 119.800 0.013 0.000 2.546 65 Q HA -0.207 4.317 4.340 0.022 -0.170 0.237 65 Q C -0.633 175.336 176.000 -0.052 0.000 1.333 65 Q CA -0.236 55.579 55.803 0.020 0.000 0.877 65 Q CB -1.759 27.035 28.738 0.093 0.000 1.629 65 Q HN 0.022 8.309 8.270 0.028 0.000 0.549 66 L N 3.448 124.607 121.223 -0.108 0.000 2.417 66 L HA 0.159 4.342 4.340 -0.261 0.000 0.268 66 L C -0.414 176.260 176.870 -0.326 0.000 1.158 66 L CA 0.038 54.745 54.840 -0.221 0.000 0.819 66 L CB 0.473 42.423 42.059 -0.181 0.000 1.112 66 L HN 0.049 8.347 8.230 -0.073 -0.113 0.458 67 H N -2.558 116.265 119.070 -0.411 0.000 2.747 67 H HA 0.397 4.558 4.556 -0.658 0.000 0.371 67 H C -2.096 172.987 175.328 -0.408 0.000 1.161 67 H CA -2.374 53.305 56.048 -0.616 0.000 1.167 67 H CB 2.856 32.030 29.762 -0.981 0.000 1.732 67 H HN -0.017 7.745 8.280 -0.864 0.000 0.544 68 C N 1.569 120.652 119.300 -0.362 0.000 2.379 68 C HA 0.526 4.832 4.460 -0.432 -0.105 0.323 68 C C -0.729 173.822 174.990 -0.731 0.000 1.262 68 C CA -2.188 56.500 59.018 -0.551 0.000 1.581 68 C CB 2.827 30.208 27.740 -0.598 0.000 2.221 68 C HN 0.133 8.136 8.230 -0.378 0.000 0.497 69 T N 6.837 121.104 114.554 -0.479 0.000 2.868 69 T HA 0.251 4.387 4.350 -0.356 0.000 0.292 69 T C -0.097 174.271 174.700 -0.552 0.000 1.028 69 T CA -0.192 61.733 62.100 -0.292 0.000 1.059 69 T CB 1.672 70.690 68.868 0.250 0.000 0.991 69 T HN -0.110 7.857 8.240 -0.455 0.000 0.531 70 T N 3.101 117.457 114.554 -0.330 0.000 3.431 70 T HA 0.270 4.528 4.350 -0.154 0.000 0.207 70 T C -1.526 173.428 174.700 0.424 0.000 0.979 70 T CA 0.870 62.938 62.100 -0.052 0.000 1.141 70 T CB 2.217 71.104 68.868 0.033 0.000 1.278 70 T HN 0.114 8.164 8.240 -0.317 0.000 0.334 71 K N 0.105 120.718 120.400 0.356 0.000 2.468 71 K HA 0.263 4.918 4.320 0.559 0.000 0.252 71 K C -2.443 174.295 176.600 0.231 0.000 0.932 71 K CA -1.268 55.228 56.287 0.349 0.000 0.794 71 K CB 2.470 34.955 32.500 -0.025 0.000 1.241 71 K HN -0.336 8.051 8.250 0.230 0.000 0.428 72 F N 1.530 121.612 119.950 0.220 0.000 2.361 72 F HA 0.159 4.890 4.527 0.340 0.000 0.364 72 F C 0.844 176.724 175.800 0.133 0.000 1.120 72 F CA -0.477 57.666 58.000 0.239 0.000 1.102 72 F CB 0.326 39.461 39.000 0.225 0.000 1.183 72 F HN 0.267 8.937 8.300 0.618 0.000 0.476 73 C N 4.442 123.870 119.300 0.214 0.000 2.413 73 C HA -0.392 4.112 4.460 0.073 0.000 0.276 73 C C 0.554 175.644 174.990 0.168 0.000 1.248 73 C CA 3.019 62.116 59.018 0.132 0.000 1.742 73 C CB 0.289 28.087 27.740 0.097 0.000 2.017 73 C HN 0.330 8.666 8.230 0.177 0.000 0.481 74 D N -2.467 118.076 120.400 0.238 0.000 4.486 74 D HA -0.388 4.394 4.640 0.237 0.000 0.217 74 D C -0.174 176.288 176.300 0.270 0.000 0.900 74 D CA 2.728 56.867 54.000 0.231 0.000 2.015 74 D CB -1.009 39.908 40.800 0.196 0.000 1.125 74 D HN -0.412 8.119 8.370 0.285 0.010 0.408 75 Y N -2.907 117.431 120.300 0.063 0.000 2.465 75 Y HA -0.054 4.523 4.550 0.044 0.000 0.092 75 Y C -0.633 175.285 175.900 0.029 0.000 0.992 75 Y CA 2.219 60.344 58.100 0.043 0.000 1.806 75 Y CB 0.697 39.179 38.460 0.037 0.000 1.128 75 Y HN 0.014 8.381 8.280 0.183 0.024 0.187 76 G N -1.609 107.190 108.800 -0.001 0.000 2.599 76 G HA2 0.046 3.880 3.960 -0.211 0.000 0.196 76 G HA3 0.046 3.895 3.960 -0.184 0.000 0.196 76 G C -0.082 174.836 174.900 0.030 0.000 1.148 76 G CA 0.403 45.431 45.100 -0.120 0.000 0.809 76 G HN -0.175 8.362 8.290 0.410 0.000 0.764 77 K N -0.002 120.469 120.400 0.118 0.000 2.218 77 K HA -0.226 4.134 4.320 0.068 0.000 0.205 77 K C -0.187 176.441 176.600 0.046 0.000 1.046 77 K CA 1.447 57.782 56.287 0.080 0.000 0.933 77 K CB -0.029 32.525 32.500 0.089 0.000 0.728 77 K HN -0.239 8.138 8.250 0.211 0.000 0.454 78 A N -2.178 120.667 122.820 0.041 0.000 3.000 78 A HA 0.365 4.695 4.320 0.017 0.000 0.315 78 A C -0.370 177.203 177.584 -0.019 0.000 1.434 78 A CA -1.755 50.293 52.037 0.018 0.000 1.108 78 A CB -1.038 17.984 19.000 0.038 0.000 1.171 78 A HN -0.040 8.108 8.150 0.057 0.036 0.524 79 E N 4.030 124.216 120.200 -0.024 0.000 2.118 79 E HA -0.382 3.938 4.350 -0.050 0.000 0.195 79 E C 1.589 178.154 176.600 -0.058 0.000 0.992 79 E CA 2.763 59.139 56.400 -0.041 0.000 0.804 79 E CB -0.365 29.317 29.700 -0.030 0.000 0.741 79 E HN -0.297 8.057 8.360 -0.010 0.000 0.458 80 G N -0.001 108.758 108.800 -0.069 0.000 2.806 80 G HA2 -0.422 3.480 3.960 -0.096 0.000 0.214 80 G HA3 -0.422 3.541 3.960 -0.146 -0.091 0.214 80 G C 0.896 175.703 174.900 -0.155 0.000 1.331 80 G CA 1.935 46.965 45.100 -0.118 0.000 0.807 80 G HN 0.177 8.427 8.290 -0.050 0.010 0.644 81 A N 1.181 123.864 122.820 -0.230 0.000 2.042 81 A HA -0.449 3.665 4.320 -0.343 0.000 0.222 81 A C 1.547 179.081 177.584 -0.084 0.000 1.167 81 A CA 2.597 54.485 52.037 -0.248 0.000 0.649 81 A CB -0.962 17.871 19.000 -0.278 0.000 0.809 81 A HN 0.164 8.173 8.150 -0.235 0.000 0.457 82 K N -1.103 119.254 120.400 -0.071 0.000 2.020 82 K HA -0.330 3.958 4.320 -0.053 0.000 0.212 82 K C 2.734 179.302 176.600 -0.055 0.000 1.050 82 K CA 3.411 59.663 56.287 -0.059 0.000 0.929 82 K CB -0.288 32.169 32.500 -0.072 0.000 0.714 82 K HN -0.374 7.714 8.250 -0.080 0.114 0.443 83 E N -2.787 117.380 120.200 -0.054 0.000 2.110 83 E HA -0.267 4.042 4.350 -0.068 0.000 0.193 83 E C 1.331 177.896 176.600 -0.058 0.000 0.988 83 E CA 2.667 59.032 56.400 -0.058 0.000 0.804 83 E CB -0.085 29.582 29.700 -0.054 0.000 0.745 83 E HN -0.416 7.908 8.360 -0.060 0.000 0.458 84 Y N -1.376 118.814 120.300 -0.184 0.000 2.145 84 Y HA -0.320 4.118 4.550 -0.187 0.000 0.286 84 Y C 1.050 176.807 175.900 -0.237 0.000 1.145 84 Y CA 2.700 60.670 58.100 -0.217 0.000 1.148 84 Y CB 0.441 38.734 38.460 -0.278 0.000 0.981 84 Y HN -0.753 7.452 8.280 0.038 0.098 0.507 85 A N -2.825 120.028 122.820 0.055 0.000 2.024 85 A HA -0.295 3.952 4.320 -0.123 0.000 0.220 85 A C 0.869 178.359 177.584 -0.156 0.000 1.164 85 A CA 2.401 54.392 52.037 -0.076 0.000 0.643 85 A CB -0.391 18.579 19.000 -0.049 0.000 0.806 85 A HN 0.298 8.396 8.150 0.102 0.113 0.451 86 E N -3.996 116.123 120.200 -0.135 0.000 2.368 86 E HA -0.028 4.252 4.350 -0.116 0.000 0.188 86 E C -0.884 175.620 176.600 -0.161 0.000 1.061 86 E CA -0.648 55.676 56.400 -0.128 0.000 0.933 86 E CB -0.029 29.614 29.700 -0.095 0.000 1.091 86 E HN -0.623 7.526 8.360 -0.108 0.147 0.458 87 L N 1.184 122.259 121.223 -0.246 0.000 2.318 87 L HA 0.268 4.493 4.340 -0.191 0.000 0.277 87 L C -0.786 175.921 176.870 -0.271 0.000 1.008 87 L CA -1.577 53.103 54.840 -0.267 0.000 0.846 87 L CB 1.065 42.908 42.059 -0.360 0.000 1.220 87 L HN -0.233 7.628 8.230 -0.304 0.187 0.423 88 Q N 6.433 126.124 119.800 -0.181 0.000 2.268 88 Q HA -0.430 3.823 4.340 -0.145 0.000 0.210 88 Q C 1.494 177.398 176.000 -0.159 0.000 0.988 88 Q CA 3.316 59.031 55.803 -0.147 0.000 0.883 88 Q CB -0.687 27.991 28.738 -0.099 0.000 0.911 88 Q HN 0.675 8.856 8.270 -0.149 0.000 0.430 89 V N -1.749 118.059 119.914 -0.177 0.000 2.287 89 V HA -0.286 3.770 4.120 -0.105 0.000 0.248 89 V C 1.548 177.517 176.094 -0.208 0.000 1.053 89 V CA 3.483 65.687 62.300 -0.159 0.000 1.027 89 V CB -0.701 31.032 31.823 -0.149 0.000 0.646 89 V HN -0.096 7.952 8.190 -0.182 0.032 0.447 90 V N -4.181 115.506 119.914 -0.377 0.000 2.548 90 V HA -0.346 3.554 4.120 -0.366 0.000 0.249 90 V C 1.684 177.592 176.094 -0.310 0.000 1.055 90 V CA 2.501 64.507 62.300 -0.489 0.000 1.065 90 V CB -1.161 29.953 31.823 -1.182 0.000 0.681 90 V HN -0.524 7.401 8.190 -0.443 0.000 0.462 91 K N -0.320 119.920 120.400 -0.266 0.000 2.057 91 K HA -0.324 3.905 4.320 -0.152 0.000 0.207 91 K C 2.997 179.565 176.600 -0.053 0.000 1.049 91 K CA 3.503 59.700 56.287 -0.149 0.000 0.931 91 K CB -0.482 31.938 32.500 -0.134 0.000 0.714 91 K HN -0.656 7.308 8.250 -0.299 0.107 0.440 92 E N -0.703 119.464 120.200 -0.056 0.000 2.216 92 E HA -0.150 4.202 4.350 0.003 0.000 0.192 92 E C 1.303 177.929 176.600 0.043 0.000 0.988 92 E CA 2.148 58.544 56.400 -0.007 0.000 0.834 92 E CB -0.091 29.598 29.700 -0.018 0.000 0.772 92 E HN -0.416 7.879 8.360 -0.094 0.008 0.479 93 S N -0.750 114.971 115.700 0.035 0.000 2.465 93 S HA -0.261 4.311 4.470 0.169 0.000 0.241 93 S C 2.117 176.873 174.600 0.260 0.000 1.000 93 S CA 2.467 60.745 58.200 0.129 0.000 0.964 93 S CB -0.472 62.733 63.200 0.008 0.000 0.763 93 S HN -0.490 7.660 8.310 -0.037 0.138 0.512 94 L N 0.905 122.268 121.223 0.234 0.000 1.990 94 L HA -0.305 4.348 4.340 0.500 -0.013 0.213 94 L C 1.624 178.632 176.870 0.231 0.000 1.072 94 L CA 3.273 58.300 54.840 0.312 0.000 0.755 94 L CB -0.418 41.771 42.059 0.216 0.000 0.889 94 L HN -0.707 7.559 8.230 0.149 0.053 0.432 95 T N -6.303 108.332 114.554 0.136 0.000 2.977 95 T HA -0.259 4.131 4.350 0.066 0.000 0.271 95 T C 0.573 175.331 174.700 0.097 0.000 1.105 95 T CA 1.652 63.803 62.100 0.086 0.000 1.116 95 T CB -0.131 68.764 68.868 0.045 0.000 0.878 95 T HN -0.591 7.716 8.240 0.111 0.000 0.509 96 K N 1.436 121.929 120.400 0.156 0.000 2.187 96 K HA -0.018 4.319 4.320 0.029 0.000 0.247 96 K C -1.095 175.578 176.600 0.123 0.000 1.019 96 K CA 0.588 56.950 56.287 0.124 0.000 0.893 96 K CB 1.027 33.664 32.500 0.229 0.000 1.025 96 K HN -0.506 7.687 8.250 0.202 0.178 0.500 97 S N -0.979 114.687 115.700 -0.057 0.000 2.677 97 S HA 0.729 5.353 4.470 0.045 -0.127 0.283 97 S C -1.344 173.104 174.600 -0.253 0.000 1.159 97 S CA -0.773 57.387 58.200 -0.066 0.000 1.001 97 S CB 2.021 65.183 63.200 -0.064 0.000 1.032 97 S HN -0.036 8.145 8.310 -0.215 0.000 0.487 98 Y N 2.417 122.654 120.300 -0.105 0.000 2.509 98 Y HA 0.168 4.673 4.550 -0.076 0.000 0.341 98 Y C -0.827 174.942 175.900 -0.219 0.000 1.038 98 Y CA -1.122 56.896 58.100 -0.138 0.000 1.089 98 Y CB 3.789 42.168 38.460 -0.134 0.000 1.241 98 Y HN 0.685 9.005 8.280 0.066 0.000 0.468 99 E N 2.895 123.087 120.200 -0.013 0.000 2.152 99 E HA 0.185 4.587 4.350 -0.100 -0.113 0.285 99 E C -1.052 175.475 176.600 -0.122 0.000 1.043 99 E CA -0.732 55.623 56.400 -0.075 0.000 0.839 99 E CB 0.038 29.713 29.700 -0.042 0.000 1.069 99 E HN 0.087 8.475 8.360 0.047 0.000 0.399 100 L N 1.674 122.784 121.223 -0.188 0.000 2.307 100 L HA 0.469 4.678 4.340 -0.218 0.000 0.282 100 L C -0.785 176.032 176.870 -0.088 0.000 1.051 100 L CA -1.052 53.667 54.840 -0.203 0.000 0.804 100 L CB 1.163 43.040 42.059 -0.303 0.000 1.197 100 L HN 0.815 8.833 8.230 -0.182 0.103 0.431 101 S N 1.465 117.128 115.700 -0.062 0.000 2.462 101 S HA 0.379 4.955 4.470 -0.023 -0.120 0.294 101 S C -0.283 174.314 174.600 -0.006 0.000 1.144 101 S CA -1.395 56.789 58.200 -0.027 0.000 1.088 101 S CB 1.084 64.270 63.200 -0.022 0.000 1.009 101 S HN -0.157 8.106 8.310 -0.078 0.000 0.484 102 V N 6.231 126.148 119.914 0.005 0.000 2.432 102 V HA 0.118 4.375 4.120 0.027 -0.121 0.271 102 V C 0.336 176.438 176.094 0.013 0.000 1.046 102 V CA 0.397 62.707 62.300 0.017 0.000 0.945 102 V CB -0.163 31.671 31.823 0.019 0.000 0.992 102 V HN 0.833 8.937 8.190 0.001 0.086 0.471 103 T N 7.991 122.554 114.554 0.015 0.000 2.925 103 T HA 0.047 4.407 4.350 0.017 0.000 0.245 103 T C -0.574 174.143 174.700 0.027 0.000 1.025 103 T CA 2.931 65.042 62.100 0.018 0.000 1.149 103 T CB 0.860 69.735 68.868 0.012 0.000 0.866 103 T HN 0.114 8.365 8.240 0.018 0.000 0.437 104 A N -1.778 121.058 122.820 0.027 0.000 2.609 104 A HA 0.443 4.849 4.320 0.025 -0.070 0.291 104 A C -2.849 174.740 177.584 0.008 0.000 1.096 104 A CA -0.897 51.163 52.037 0.039 0.000 0.684 104 A CB 2.790 21.861 19.000 0.118 0.000 1.282 104 A HN -0.794 7.367 8.150 0.019 0.000 0.412 105 L N -0.887 120.316 121.223 -0.034 0.000 2.346 105 L HA 0.389 4.709 4.340 -0.033 0.000 0.274 105 L C -1.623 175.186 176.870 -0.101 0.000 1.007 105 L CA -0.633 54.156 54.840 -0.085 0.000 0.818 105 L CB 3.831 45.791 42.059 -0.166 0.000 1.284 105 L HN -0.021 8.182 8.230 -0.045 0.000 0.424 106 I N -3.534 116.915 120.570 -0.201 0.000 2.603 106 I HA 0.634 4.944 4.170 0.032 -0.121 0.300 106 I C -1.526 174.195 176.117 -0.661 0.000 1.017 106 I CA -1.915 59.261 61.300 -0.208 0.000 1.098 106 I CB 3.031 40.937 38.000 -0.156 0.000 1.279 106 I HN 0.704 8.792 8.210 -0.203 0.000 0.437 107 V N 4.212 123.940 119.914 -0.310 0.000 2.409 107 V HA 0.297 3.783 4.120 -1.056 0.000 0.290 107 V C -1.202 175.007 176.094 0.192 0.000 1.017 107 V CA -1.013 61.091 62.300 -0.327 0.000 0.841 107 V CB 1.642 33.537 31.823 0.120 0.000 1.003 107 V HN 0.961 9.080 8.190 0.051 0.102 0.426 108 T N 7.994 122.626 114.554 0.129 0.000 2.829 108 T HA 0.446 4.973 4.350 0.295 0.000 0.280 108 T C -1.915 172.998 174.700 0.356 0.000 0.999 108 T CA -3.454 58.785 62.100 0.233 0.000 0.983 108 T CB -0.262 68.669 68.868 0.105 0.000 0.968 108 T HN 0.110 8.312 8.240 -0.063 0.000 0.446 109 P HA -0.146 4.253 4.420 -0.035 0.000 0.218 109 P C -0.797 176.626 177.300 0.205 0.000 1.146 109 P CA 1.762 64.835 63.100 -0.045 0.000 0.813 109 P CB 0.428 31.878 31.700 -0.416 0.000 0.778 110 R N -5.186 115.465 120.500 0.251 0.000 2.075 110 R HA -0.166 4.278 4.340 0.173 0.000 0.220 110 R C -0.929 175.691 176.300 0.532 0.000 1.118 110 R CA 1.845 58.106 56.100 0.268 0.000 0.986 110 R CB 1.035 31.414 30.300 0.132 0.000 0.884 110 R HN -0.467 7.872 8.270 0.179 0.039 0.439 111 T N -7.368 107.432 114.554 0.410 0.000 2.792 111 T HA 0.173 4.635 4.350 0.187 0.000 0.303 111 T C -2.284 172.337 174.700 -0.132 0.000 1.310 111 T CA -1.524 60.664 62.100 0.146 0.000 1.007 111 T CB 2.441 71.384 68.868 0.126 0.000 1.335 111 T HN -0.889 7.528 8.240 0.296 0.000 0.504 112 F N 2.370 122.047 119.950 -0.455 0.000 2.520 112 F HA 0.242 4.666 4.527 -0.173 0.000 0.322 112 F C -1.705 174.013 175.800 -0.136 0.000 1.103 112 F CA -1.849 55.960 58.000 -0.318 0.000 0.926 112 F CB 3.991 42.699 39.000 -0.488 0.000 1.154 112 F HN 0.480 8.490 8.300 -0.239 0.146 0.453 113 G N 2.481 111.302 108.800 0.036 0.000 2.692 113 G HA2 0.559 4.812 3.960 0.250 0.000 0.291 113 G HA3 0.559 4.606 3.960 0.145 0.000 0.291 113 G C -3.375 171.588 174.900 0.105 0.000 1.423 113 G CA -0.650 44.549 45.100 0.164 0.000 0.843 113 G HN 0.159 8.131 8.290 -0.529 0.000 0.486 114 A N -1.237 121.672 122.820 0.149 0.000 2.365 114 A HA 0.492 4.848 4.320 0.060 0.000 0.318 114 A C -1.356 176.282 177.584 0.090 0.000 1.091 114 A CA -1.571 50.526 52.037 0.101 0.000 0.763 114 A CB 2.906 21.971 19.000 0.108 0.000 1.248 114 A HN 0.018 8.270 8.150 0.170 0.000 0.442 115 R N 2.111 122.636 120.500 0.041 0.000 2.234 115 R HA 0.518 5.075 4.340 0.053 -0.184 0.324 115 R C -0.924 175.407 176.300 0.051 0.000 1.054 115 R CA -0.809 55.310 56.100 0.032 0.000 0.912 115 R CB 0.508 30.796 30.300 -0.020 0.000 1.030 115 R HN 0.796 8.973 8.270 0.019 0.104 0.455 116 V N 3.818 123.782 119.914 0.084 0.000 2.495 116 V HA 0.305 4.563 4.120 0.063 -0.100 0.298 116 V C -1.348 174.785 176.094 0.064 0.000 1.031 116 V CA -1.446 60.910 62.300 0.094 0.000 0.871 116 V CB 2.154 34.090 31.823 0.189 0.000 0.988 116 V HN 0.404 8.657 8.190 0.105 0.000 0.432 117 A N 8.242 131.074 122.820 0.020 0.000 2.360 117 A HA 0.560 4.868 4.320 -0.020 0.000 0.309 117 A C -1.263 176.296 177.584 -0.042 0.000 1.311 117 A CA -1.466 50.562 52.037 -0.015 0.000 0.805 117 A CB 0.797 19.785 19.000 -0.021 0.000 1.144 117 A HN 1.050 9.101 8.150 0.015 0.108 0.486 118 L N 2.149 123.331 121.223 -0.069 0.000 2.367 118 L HA -0.137 4.108 4.340 -0.158 0.000 0.215 118 L C 0.382 177.207 176.870 -0.075 0.000 1.197 118 L CA 0.379 55.145 54.840 -0.123 0.000 0.836 118 L CB 0.235 42.190 42.059 -0.173 0.000 1.242 118 L HN 0.294 8.494 8.230 -0.050 0.000 0.553 119 T N -2.633 111.880 114.554 -0.068 0.000 2.880 119 T HA 0.096 4.433 4.350 -0.023 0.000 0.279 119 T C 1.109 175.799 174.700 -0.016 0.000 0.990 119 T CA -1.737 60.346 62.100 -0.028 0.000 0.938 119 T CB 1.792 70.658 68.868 -0.004 0.000 1.206 119 T HN -0.236 7.946 8.240 -0.097 0.000 0.573 120 E N 0.456 120.658 120.200 0.004 0.000 2.153 120 E HA -0.388 3.972 4.350 0.017 0.000 0.194 120 E C 1.692 178.306 176.600 0.024 0.000 0.988 120 E CA 3.201 59.611 56.400 0.017 0.000 0.811 120 E CB -0.717 28.997 29.700 0.023 0.000 0.746 120 E HN 0.547 8.911 8.360 0.008 0.000 0.466 121 A N 0.258 123.087 122.820 0.015 0.000 1.858 121 A HA -0.364 3.972 4.320 0.027 0.000 0.216 121 A C 2.135 179.705 177.584 -0.023 0.000 1.190 121 A CA 3.038 55.077 52.037 0.003 0.000 0.617 121 A CB -1.081 17.926 19.000 0.012 0.000 0.827 121 A HN -0.485 7.652 8.150 0.017 0.023 0.443 122 Q N -2.554 117.208 119.800 -0.064 0.000 2.170 122 Q HA -0.288 4.052 4.340 0.001 0.000 0.203 122 Q C 1.923 178.003 176.000 0.134 0.000 0.976 122 Q CA 2.684 58.489 55.803 0.003 0.000 0.858 122 Q CB -0.649 28.059 28.738 -0.051 0.000 0.907 122 Q HN -0.182 8.038 8.270 -0.084 0.000 0.433 123 V N -2.079 117.884 119.914 0.083 0.000 2.307 123 V HA -0.456 3.743 4.120 0.132 0.000 0.245 123 V C 2.135 178.346 176.094 0.195 0.000 1.045 123 V CA 3.821 66.194 62.300 0.121 0.000 1.024 123 V CB -0.045 31.808 31.823 0.049 0.000 0.651 123 V HN -0.334 7.777 8.190 0.031 0.098 0.449 124 K N -0.998 119.480 120.400 0.129 0.000 2.147 124 K HA -0.263 4.129 4.320 0.121 0.000 0.205 124 K C 1.452 178.140 176.600 0.147 0.000 1.049 124 K CA 2.710 59.068 56.287 0.119 0.000 0.936 124 K CB -0.104 32.441 32.500 0.074 0.000 0.722 124 K HN 0.060 8.364 8.250 0.089 0.000 0.446 125 L N -6.988 114.339 121.223 0.173 0.000 2.629 125 L HA 0.184 4.608 4.340 0.139 0.000 0.230 125 L C -0.317 176.777 176.870 0.374 0.000 1.151 125 L CA 0.036 54.998 54.840 0.203 0.000 0.924 125 L CB -0.566 41.578 42.059 0.140 0.000 1.137 125 L HN -0.688 7.525 8.230 0.158 0.112 0.457 126 W N 1.311 122.698 121.300 0.146 0.000 2.390 126 W HA 0.236 4.953 4.660 0.094 0.000 0.312 126 W C -1.931 174.650 176.519 0.103 0.000 1.123 126 W CA -2.427 54.987 57.345 0.114 0.000 1.202 126 W CB 2.097 31.608 29.460 0.084 0.000 1.251 126 W HN -0.516 7.694 8.180 0.400 0.211 0.511 127 P HA 0.022 4.319 4.420 -0.206 0.000 0.269 127 P C -0.428 176.612 177.300 -0.433 0.000 1.215 127 P CA -0.149 62.637 63.100 -0.524 0.000 0.780 127 P CB 0.925 32.237 31.700 -0.645 0.000 0.898 128 E N 2.658 122.771 120.200 -0.145 0.000 2.051 128 E HA -0.345 4.050 4.350 0.076 0.000 0.189 128 E C 1.550 178.145 176.600 -0.008 0.000 0.979 128 E CA 2.665 59.058 56.400 -0.011 0.000 0.803 128 E CB -0.544 29.163 29.700 0.013 0.000 0.761 128 E HN 0.514 8.804 8.360 -0.117 0.000 0.451 129 G N -0.424 108.340 108.800 -0.061 0.000 2.491 129 G HA2 -0.340 3.622 3.960 0.005 0.000 0.218 129 G HA3 -0.340 3.686 3.960 -0.047 -0.095 0.218 129 G C 1.087 175.992 174.900 0.010 0.000 1.180 129 G CA 1.932 47.016 45.100 -0.027 0.000 0.774 129 G HN 0.306 8.542 8.290 -0.090 0.000 0.562 130 A N 0.425 123.208 122.820 -0.061 0.000 2.024 130 A HA -0.379 4.014 4.320 0.120 0.000 0.220 130 A C 1.384 179.192 177.584 0.374 0.000 1.164 130 A CA 2.461 54.562 52.037 0.106 0.000 0.643 130 A CB -0.793 18.153 19.000 -0.091 0.000 0.806 130 A HN 0.198 8.213 8.150 -0.226 0.000 0.451 131 D N -2.513 118.143 120.400 0.427 0.000 2.228 131 D HA -0.295 4.721 4.640 0.625 0.000 0.203 131 D C 0.909 177.344 176.300 0.225 0.000 0.988 131 D CA 2.658 56.933 54.000 0.457 0.000 0.864 131 D CB -0.132 40.883 40.800 0.359 0.000 0.928 131 D HN -0.546 7.831 8.370 0.242 0.138 0.469 132 K N -4.520 115.975 120.400 0.159 0.000 2.293 132 K HA -0.374 3.993 4.320 0.078 0.000 0.204 132 K C 1.108 177.758 176.600 0.082 0.000 1.045 132 K CA 1.392 57.736 56.287 0.096 0.000 0.933 132 K CB -0.478 32.065 32.500 0.071 0.000 0.736 132 K HN -0.461 7.723 8.250 0.154 0.158 0.463 133 E N -0.009 120.259 120.200 0.115 0.000 2.467 133 E HA -0.242 4.137 4.350 0.048 0.000 0.264 133 E C 1.102 177.719 176.600 0.028 0.000 1.020 133 E CA 0.171 56.614 56.400 0.072 0.000 0.945 133 E CB 0.208 29.969 29.700 0.103 0.000 0.942 133 E HN -0.541 7.765 8.360 0.176 0.160 0.449 134 G N 2.317 111.112 108.800 -0.009 0.000 2.624 134 G HA2 -0.233 3.711 3.960 -0.025 0.000 0.221 134 G HA3 -0.233 3.693 3.960 -0.056 0.000 0.221 134 G C -0.621 174.259 174.900 -0.033 0.000 1.169 134 G CA 1.667 46.748 45.100 -0.032 0.000 0.771 134 G HN 0.274 8.554 8.290 -0.016 0.000 0.598 135 V N 1.042 120.930 119.914 -0.045 0.000 2.482 135 V HA 0.144 4.241 4.120 -0.038 0.000 0.295 135 V C -2.297 173.756 176.094 -0.068 0.000 1.026 135 V CA -1.807 60.461 62.300 -0.054 0.000 0.856 135 V CB 1.073 32.849 31.823 -0.079 0.000 1.001 135 V HN -0.837 7.326 8.190 -0.050 -0.003 0.424 136 A N 6.404 129.186 122.820 -0.063 0.000 2.356 136 A HA 0.573 4.746 4.320 -0.245 0.000 0.323 136 A C -1.180 176.298 177.584 -0.178 0.000 1.119 136 A CA -3.239 48.710 52.037 -0.147 0.000 0.790 136 A CB 0.828 19.825 19.000 -0.006 0.000 1.273 136 A HN 0.106 8.237 8.150 -0.032 0.000 0.452 137 P HA -0.285 4.049 4.420 -0.143 0.000 0.218 137 P C 0.171 177.421 177.300 -0.083 0.000 1.146 137 P CA 2.556 65.535 63.100 -0.202 0.000 0.813 137 P CB 0.203 31.734 31.700 -0.280 0.000 0.778 138 A N -3.422 119.375 122.820 -0.038 0.000 2.119 138 A HA -0.023 4.332 4.320 0.058 0.000 0.216 138 A C 0.949 178.556 177.584 0.039 0.000 1.152 138 A CA 1.797 53.870 52.037 0.059 0.000 0.708 138 A CB -0.407 18.694 19.000 0.169 0.000 0.805 138 A HN -0.609 7.572 8.150 -0.096 -0.088 0.460 139 L N -1.304 119.927 121.223 0.014 0.000 2.660 139 L HA 0.098 4.453 4.340 0.025 0.000 0.238 139 L C 0.677 177.546 176.870 -0.002 0.000 1.161 139 L CA -0.254 54.593 54.840 0.011 0.000 0.937 139 L CB -0.454 41.608 42.059 0.005 0.000 1.122 139 L HN -0.021 8.011 8.230 -0.011 0.191 0.435 140 L N 2.665 123.885 121.223 -0.005 0.000 2.010 140 L HA -0.332 3.999 4.340 -0.015 0.000 0.219 140 L C -0.595 176.275 176.870 0.000 0.000 1.077 140 L CA 5.555 60.392 54.840 -0.006 0.000 0.773 140 L CB -3.083 38.975 42.059 -0.002 0.000 0.892 140 L HN -0.634 7.483 8.230 -0.002 0.112 0.436 141 P HA -0.235 4.189 4.420 0.008 0.000 0.216 141 P C 1.804 179.107 177.300 0.006 0.000 1.150 141 P CA 2.521 65.626 63.100 0.008 0.000 0.843 141 P CB -0.560 31.148 31.700 0.013 0.000 0.787 142 S N -0.447 115.256 115.700 0.004 0.000 2.414 142 S HA -0.166 4.306 4.470 0.003 0.000 0.227 142 S C 2.117 176.714 174.600 -0.004 0.000 1.022 142 S CA 2.888 61.088 58.200 0.001 0.000 0.958 142 S CB -0.114 63.087 63.200 0.002 0.000 0.797 142 S HN -0.268 7.935 8.310 0.006 0.110 0.493 143 V N 3.251 123.161 119.914 -0.008 0.000 2.453 143 V HA -0.403 3.885 4.120 -0.019 -0.179 0.252 143 V C 0.814 176.906 176.094 -0.003 0.000 1.068 143 V CA 3.729 66.022 62.300 -0.012 0.000 1.070 143 V CB -0.299 31.514 31.823 -0.016 0.000 0.664 143 V HN 0.203 8.153 8.190 -0.007 0.236 0.461 144 E N -1.553 118.647 120.200 0.001 0.000 2.130 144 E HA -0.305 4.049 4.350 0.008 0.000 0.196 144 E C 0.872 177.477 176.600 0.008 0.000 0.998 144 E CA 2.510 58.913 56.400 0.006 0.000 0.806 144 E CB 0.110 29.814 29.700 0.007 0.000 0.738 144 E HN -0.640 7.693 8.360 0.001 0.028 0.459 145 A N -3.674 119.148 122.820 0.005 0.000 2.014 145 A HA 0.095 4.420 4.320 0.010 0.000 0.210 145 A C -1.000 176.586 177.584 0.004 0.000 1.188 145 A CA 0.978 53.018 52.037 0.006 0.000 0.731 145 A CB 1.616 20.617 19.000 0.003 0.000 0.858 145 A HN -0.383 7.653 8.150 0.002 0.116 0.464 146 L N -6.444 114.776 121.223 -0.005 0.000 2.346 146 L HA 0.685 5.018 4.340 -0.012 0.000 0.276 146 L C -2.866 173.989 176.870 -0.025 0.000 1.006 146 L CA -3.013 51.817 54.840 -0.018 0.000 0.817 146 L CB 0.821 42.861 42.059 -0.031 0.000 1.272 146 L HN -0.665 7.481 8.230 -0.006 0.080 0.421 147 P HA -0.114 4.306 4.420 -0.001 0.000 0.271 147 P C -1.453 175.806 177.300 -0.067 0.000 1.228 147 P CA 0.465 63.539 63.100 -0.045 0.000 0.797 147 P CB 0.500 32.128 31.700 -0.120 0.000 0.914 148 A N -2.215 120.570 122.820 -0.059 0.000 2.527 148 A HA 0.248 4.522 4.320 -0.076 0.000 0.293 148 A C -1.458 176.088 177.584 -0.062 0.000 1.117 148 A CA -1.191 50.809 52.037 -0.062 0.000 0.723 148 A CB 3.047 22.022 19.000 -0.042 0.000 1.313 148 A HN 0.026 8.152 8.150 -0.041 0.000 0.411 149 G N -2.765 105.999 108.800 -0.060 0.000 2.148 149 G HA2 -0.292 3.824 3.960 -0.014 0.000 0.203 149 G HA3 -0.292 3.656 3.960 -0.020 0.000 0.203 149 G C 0.228 175.106 174.900 -0.038 0.000 0.993 149 G CA 0.578 45.658 45.100 -0.032 0.000 0.661 149 G HN 0.473 8.720 8.290 -0.071 0.000 0.518 150 S N 0.514 116.164 115.700 -0.083 0.000 2.404 150 S HA -0.177 4.203 4.470 -0.150 0.000 0.223 150 S C 0.976 175.543 174.600 -0.055 0.000 1.040 150 S CA 1.345 59.476 58.200 -0.116 0.000 0.957 150 S CB 0.166 63.276 63.200 -0.151 0.000 0.826 150 S HN -0.176 8.079 8.310 -0.093 0.000 0.491 151 R N 2.862 123.325 120.500 -0.061 0.000 2.117 151 R HA -0.221 4.390 4.340 0.006 -0.268 0.243 151 R C -0.434 175.878 176.300 0.019 0.000 1.143 151 R CA 1.879 57.941 56.100 -0.063 0.000 0.968 151 R CB 0.105 30.242 30.300 -0.272 0.000 0.863 151 R HN -0.680 7.535 8.270 -0.092 0.000 0.444 152 A N -2.278 120.570 122.820 0.047 0.000 2.363 152 A HA 0.341 4.692 4.320 0.051 0.000 0.296 152 A C -2.531 175.160 177.584 0.179 0.000 1.237 152 A CA -1.301 50.802 52.037 0.110 0.000 0.773 152 A CB 1.427 20.586 19.000 0.265 0.000 1.153 152 A HN -0.223 7.918 8.150 0.013 0.016 0.473 153 H N 1.036 120.094 119.070 -0.020 0.000 2.797 153 H HA 0.975 5.652 4.556 0.017 -0.111 0.372 153 H C -1.616 173.689 175.328 -0.039 0.000 1.168 153 H CA -2.550 53.492 56.048 -0.011 0.000 1.163 153 H CB 3.168 32.916 29.762 -0.023 0.000 1.778 153 H HN -0.163 8.202 8.280 0.141 0.000 0.551 154 V N 0.175 120.046 119.914 -0.072 0.000 2.483 154 V HA 0.261 4.201 4.120 -0.300 0.000 0.295 154 V C 0.568 176.577 176.094 -0.141 0.000 1.035 154 V CA -2.054 60.145 62.300 -0.169 0.000 0.896 154 V CB 1.020 32.804 31.823 -0.066 0.000 0.986 154 V HN -0.016 8.216 8.190 0.069 0.000 0.447 155 T N 5.489 119.883 114.554 -0.266 0.000 2.814 155 T HA 0.047 4.356 4.350 -0.068 0.000 0.297 155 T C -0.701 173.917 174.700 -0.136 0.000 0.956 155 T CA 0.426 62.411 62.100 -0.192 0.000 1.123 155 T CB 0.175 68.844 68.868 -0.332 0.000 0.902 155 T HN -0.163 7.838 8.240 -0.399 0.000 0.528 156 L N 2.687 123.887 121.223 -0.038 0.000 2.678 156 L HA 0.282 4.547 4.340 -0.125 0.000 0.211 156 L C -1.181 175.613 176.870 -0.127 0.000 1.043 156 L CA 0.523 55.309 54.840 -0.089 0.000 0.881 156 L CB 2.505 44.515 42.059 -0.081 0.000 1.361 156 L HN -0.156 8.092 8.230 0.031 0.000 0.484 157 G N -5.307 103.435 108.800 -0.096 0.000 2.524 157 G HA2 0.542 4.671 3.960 -0.086 0.000 0.310 157 G HA3 0.542 4.177 3.960 -0.541 0.000 0.310 157 G C -2.537 172.312 174.900 -0.085 0.000 1.279 157 G CA -1.090 43.885 45.100 -0.207 0.000 0.974 157 G HN -0.456 7.733 8.290 0.024 0.115 0.484 158 C N 2.284 121.692 119.300 0.181 0.000 2.782 158 C HA 0.208 4.834 4.460 0.276 0.000 0.328 158 C C -1.068 174.207 174.990 0.475 0.000 1.145 158 C CA -0.659 58.533 59.018 0.290 0.000 1.358 158 C CB 3.156 30.987 27.740 0.152 0.000 1.841 158 C HN 0.039 8.440 8.230 0.285 0.000 0.477 159 S N 2.996 118.974 115.700 0.463 0.000 2.655 159 S HA 0.110 4.879 4.470 0.499 0.000 0.265 159 S C -0.534 174.212 174.600 0.243 0.000 1.240 159 S CA 0.639 59.070 58.200 0.385 0.000 0.986 159 S CB 1.211 64.573 63.200 0.272 0.000 0.985 159 S HN 0.138 8.692 8.310 0.406 0.000 0.562 160 A N 1.379 124.340 122.820 0.234 0.000 2.798 160 A HA 0.050 4.437 4.320 0.113 0.000 0.316 160 A C -0.635 177.014 177.584 0.108 0.000 1.506 160 A CA 0.119 52.243 52.037 0.146 0.000 1.162 160 A CB -1.397 17.691 19.000 0.146 0.000 1.138 160 A HN 0.250 8.597 8.150 0.328 0.000 0.532 161 G N 3.400 112.253 108.800 0.088 0.000 3.110 161 G HA2 -0.090 3.901 3.960 0.051 0.000 0.205 161 G HA3 -0.090 3.905 3.960 0.057 0.000 0.205 161 G C -1.001 173.933 174.900 0.057 0.000 1.019 161 G CA -0.242 44.896 45.100 0.062 0.000 0.826 161 G HN -0.197 8.150 8.290 0.094 0.000 0.481 162 V N -1.390 118.570 119.914 0.077 0.000 2.743 162 V HA 0.088 4.236 4.120 0.048 0.000 0.301 162 V C -0.639 175.494 176.094 0.065 0.000 1.057 162 V CA -1.100 61.241 62.300 0.068 0.000 1.006 162 V CB 0.987 32.863 31.823 0.089 0.000 1.024 162 V HN -0.863 7.388 8.190 0.101 0.000 0.473 163 E N 3.285 123.511 120.200 0.044 0.000 2.283 163 E HA 0.178 4.551 4.350 0.038 0.000 0.271 163 E C 1.291 177.919 176.600 0.046 0.000 1.031 163 E CA -0.745 55.676 56.400 0.034 0.000 0.868 163 E CB 1.070 30.774 29.700 0.008 0.000 1.094 163 E HN 0.304 8.684 8.360 0.034 0.000 0.401 164 T N 1.649 116.232 114.554 0.048 0.000 2.915 164 T HA -0.270 4.126 4.350 0.076 0.000 0.269 164 T C 1.439 176.185 174.700 0.076 0.000 1.071 164 T CA 2.709 64.849 62.100 0.067 0.000 1.132 164 T CB -0.080 68.831 68.868 0.071 0.000 0.878 164 T HN 0.332 8.596 8.240 0.039 0.000 0.479 165 V N 2.703 122.636 119.914 0.032 0.000 2.469 165 V HA -0.369 3.774 4.120 0.039 0.000 0.251 165 V C 1.453 177.536 176.094 -0.017 0.000 1.064 165 V CA 3.828 66.122 62.300 -0.009 0.000 1.066 165 V CB -0.705 31.058 31.823 -0.100 0.000 0.667 165 V HN -0.233 7.938 8.190 0.012 0.026 0.461 166 Q N -2.005 117.792 119.800 -0.005 0.000 2.226 166 Q HA -0.359 3.954 4.340 -0.044 0.000 0.204 166 Q C 1.808 177.803 176.000 -0.007 0.000 0.975 166 Q CA 3.095 58.889 55.803 -0.015 0.000 0.866 166 Q CB -0.353 28.387 28.738 0.002 0.000 0.915 166 Q HN -0.483 7.772 8.270 0.006 0.019 0.440 167 T N 1.002 115.585 114.554 0.047 0.000 2.720 167 T HA -0.341 4.015 4.350 0.010 0.000 0.268 167 T C 1.867 176.505 174.700 -0.103 0.000 1.037 167 T CA 4.960 67.091 62.100 0.051 0.000 1.144 167 T CB -0.641 68.335 68.868 0.179 0.000 0.864 167 T HN -0.353 7.783 8.240 0.074 0.148 0.444 168 G N 0.726 109.496 108.800 -0.051 0.000 2.421 168 G HA2 -0.222 2.824 3.960 -1.523 0.000 0.216 168 G HA3 -0.222 3.758 3.960 0.033 0.000 0.216 168 G C 0.681 175.410 174.900 -0.286 0.000 1.171 168 G CA 1.715 46.562 45.100 -0.421 0.000 0.775 168 G HN -0.680 7.710 8.290 0.168 0.000 0.543 169 L N 0.955 122.086 121.223 -0.154 0.000 2.043 169 L HA -0.457 3.809 4.340 -0.124 0.000 0.212 169 L C 2.176 178.961 176.870 -0.141 0.000 1.075 169 L CA 3.425 58.186 54.840 -0.130 0.000 0.752 169 L CB -0.486 41.513 42.059 -0.099 0.000 0.891 169 L HN -0.842 7.322 8.230 -0.110 0.000 0.432 170 D N -0.723 119.591 120.400 -0.143 0.000 2.097 170 D HA -0.273 4.301 4.640 -0.111 0.000 0.195 170 D C 2.633 178.821 176.300 -0.186 0.000 0.989 170 D CA 3.325 57.245 54.000 -0.134 0.000 0.827 170 D CB -0.401 40.340 40.800 -0.099 0.000 0.966 170 D HN -0.583 7.697 8.370 -0.133 0.010 0.456 171 L N 0.320 121.388 121.223 -0.259 0.000 1.989 171 L HA -0.457 3.715 4.340 -0.280 0.000 0.211 171 L C 1.716 178.432 176.870 -0.257 0.000 1.071 171 L CA 3.470 58.132 54.840 -0.297 0.000 0.749 171 L CB 0.008 41.820 42.059 -0.413 0.000 0.890 171 L HN -0.655 7.321 8.230 -0.301 0.073 0.431 172 L N -2.851 118.240 121.223 -0.219 0.000 2.043 172 L HA -0.481 3.766 4.340 -0.155 0.000 0.212 172 L C 2.269 179.048 176.870 -0.151 0.000 1.075 172 L CA 3.922 58.666 54.840 -0.160 0.000 0.752 172 L CB -0.780 41.209 42.059 -0.115 0.000 0.891 172 L HN -0.290 7.796 8.230 -0.240 0.000 0.432 173 E N -0.663 119.449 120.200 -0.148 0.000 2.106 173 E HA -0.305 3.979 4.350 -0.111 0.000 0.192 173 E C 2.843 179.344 176.600 -0.165 0.000 0.984 173 E CA 3.098 59.419 56.400 -0.132 0.000 0.806 173 E CB -0.049 29.584 29.700 -0.112 0.000 0.750 173 E HN -0.784 7.480 8.360 -0.151 0.006 0.458 174 I N 0.358 120.798 120.570 -0.217 0.000 2.118 174 I HA -0.545 3.491 4.170 -0.225 0.000 0.241 174 I C 1.985 177.886 176.117 -0.360 0.000 1.070 174 I CA 4.278 65.398 61.300 -0.300 0.000 1.327 174 I CB -0.191 37.559 38.000 -0.417 0.000 1.034 174 I HN 0.030 8.030 8.210 -0.214 0.082 0.405 175 L N -2.327 118.679 121.223 -0.361 0.000 2.017 175 L HA -0.409 3.708 4.340 -0.373 0.000 0.208 175 L C 2.392 179.163 176.870 -0.166 0.000 1.073 175 L CA 3.068 57.733 54.840 -0.291 0.000 0.745 175 L CB -1.138 40.783 42.059 -0.229 0.000 0.894 175 L HN -0.583 7.445 8.230 -0.336 0.000 0.432 176 A N -2.054 120.684 122.820 -0.137 0.000 2.024 176 A HA -0.315 3.961 4.320 -0.074 0.000 0.220 176 A C 2.233 179.768 177.584 -0.081 0.000 1.164 176 A CA 2.761 54.743 52.037 -0.091 0.000 0.643 176 A CB -0.644 18.308 19.000 -0.079 0.000 0.806 176 A HN -0.535 7.524 8.150 -0.152 0.000 0.451 177 L N -0.746 120.416 121.223 -0.101 0.000 2.005 177 L HA -0.378 3.917 4.340 -0.075 0.000 0.207 177 L C 1.857 178.695 176.870 -0.054 0.000 1.072 177 L CA 3.128 57.918 54.840 -0.084 0.000 0.744 177 L CB -1.298 40.698 42.059 -0.105 0.000 0.895 177 L HN 0.035 8.050 8.230 -0.133 0.135 0.433 178 Q N -1.953 117.827 119.800 -0.034 0.000 2.061 178 Q HA -0.395 3.962 4.340 0.030 0.000 0.204 178 Q C 2.926 178.927 176.000 0.003 0.000 0.984 178 Q CA 3.551 59.368 55.803 0.023 0.000 0.846 178 Q CB -0.194 28.608 28.738 0.107 0.000 0.902 178 Q HN -0.600 7.629 8.270 -0.068 0.000 0.421 179 K N -2.077 118.314 120.400 -0.014 0.000 2.283 179 K HA -0.224 4.094 4.320 -0.003 0.000 0.202 179 K C 0.935 177.524 176.600 -0.018 0.000 1.048 179 K CA 2.181 58.460 56.287 -0.014 0.000 0.948 179 K CB -0.195 32.292 32.500 -0.022 0.000 0.742 179 K HN -0.772 7.459 8.250 -0.031 0.000 0.458 180 E N -4.060 116.123 120.200 -0.027 0.000 2.472 180 E HA -0.156 4.179 4.350 -0.025 0.000 0.200 180 E C 0.195 176.781 176.600 -0.023 0.000 1.046 180 E CA 0.623 57.006 56.400 -0.028 0.000 0.871 180 E CB 0.173 29.850 29.700 -0.039 0.000 0.806 180 E HN -0.804 7.364 8.360 -0.034 0.172 0.533 181 G N -1.825 106.965 108.800 -0.018 0.000 2.195 181 G HA2 -0.331 3.624 3.960 -0.008 0.000 0.224 181 G HA3 -0.331 3.621 3.960 -0.014 0.000 0.224 181 G C 0.248 175.137 174.900 -0.018 0.000 0.990 181 G CA 0.318 45.410 45.100 -0.014 0.000 0.639 181 G HN -0.347 7.753 8.290 -0.015 0.181 0.514 182 K N 0.893 121.275 120.400 -0.030 0.000 1.975 182 K HA -0.150 4.147 4.320 -0.038 0.000 0.217 182 K C 0.080 176.658 176.600 -0.036 0.000 1.037 182 K CA 1.147 57.408 56.287 -0.043 0.000 0.971 182 K CB 0.555 33.013 32.500 -0.071 0.000 0.749 182 K HN -0.651 7.518 8.250 -0.032 0.061 0.444 183 E N -3.253 116.925 120.200 -0.037 0.000 2.246 183 E HA -0.295 4.045 4.350 -0.016 0.000 0.173 183 E C 0.231 176.814 176.600 -0.029 0.000 1.532 183 E CA 0.343 56.730 56.400 -0.021 0.000 0.672 183 E CB -2.467 27.236 29.700 0.004 0.000 1.078 183 E HN 0.089 8.424 8.360 -0.042 0.000 0.338 184 G N 0.737 109.500 108.800 -0.061 0.000 2.637 184 G HA2 -0.179 3.786 3.960 0.008 0.000 0.215 184 G HA3 -0.179 3.774 3.960 -0.011 0.000 0.215 184 G C -0.039 174.891 174.900 0.051 0.000 1.289 184 G CA 0.579 45.678 45.100 -0.002 0.000 0.816 184 G HN 0.301 8.515 8.290 -0.126 0.000 0.580 185 T N 3.326 117.946 114.554 0.110 0.000 2.817 185 T HA 0.089 4.443 4.350 0.007 0.000 0.293 185 T C -1.319 173.357 174.700 -0.041 0.000 0.964 185 T CA 0.714 62.818 62.100 0.007 0.000 1.085 185 T CB 0.272 69.012 68.868 -0.213 0.000 0.921 185 T HN -0.514 7.857 8.240 0.218 0.000 0.502 186 Q N 5.623 125.404 119.800 -0.031 0.000 2.331 186 Q HA 0.583 5.034 4.340 -0.068 -0.152 0.272 186 Q C -1.875 174.117 176.000 -0.014 0.000 1.062 186 Q CA -1.916 53.866 55.803 -0.035 0.000 0.806 186 Q CB 3.172 31.899 28.738 -0.019 0.000 1.312 186 Q HN 0.161 8.421 8.270 -0.015 0.000 0.431 187 V N -3.368 116.538 119.914 -0.013 0.000 2.777 187 V HA 0.398 4.524 4.120 0.010 0.000 0.306 187 V C -1.931 174.168 176.094 0.010 0.000 1.112 187 V CA -0.846 61.459 62.300 0.007 0.000 0.917 187 V CB 3.664 35.501 31.823 0.024 0.000 1.018 187 V HN 0.302 8.472 8.190 -0.032 0.000 0.426 188 E N 6.558 126.766 120.200 0.013 0.000 2.134 188 E HA 0.306 4.667 4.350 0.018 0.000 0.278 188 E C -1.196 175.417 176.600 0.021 0.000 0.959 188 E CA -1.181 55.229 56.400 0.017 0.000 0.783 188 E CB 1.401 31.110 29.700 0.015 0.000 1.095 188 E HN 0.211 8.579 8.360 0.013 0.000 0.399 189 M N 5.932 125.549 119.600 0.028 0.000 2.823 189 M HA 0.176 4.670 4.480 0.022 0.000 0.282 189 M C -0.547 175.769 176.300 0.027 0.000 1.177 189 M CA -0.722 54.595 55.300 0.029 0.000 0.871 189 M CB 1.612 34.237 32.600 0.041 0.000 1.595 189 M HN 0.449 8.643 8.290 0.031 0.114 0.524 190 D N -0.934 119.481 120.400 0.025 0.000 2.277 190 D HA -0.131 4.521 4.640 0.019 0.000 0.208 190 D C 1.275 177.591 176.300 0.027 0.000 0.962 190 D CA 1.980 55.993 54.000 0.022 0.000 0.865 190 D CB 0.224 41.034 40.800 0.017 0.000 0.939 190 D HN 0.019 8.403 8.370 0.024 0.000 0.510 191 L N -2.339 118.906 121.223 0.036 0.000 2.575 191 L HA 0.208 4.568 4.340 0.034 0.000 0.228 191 L C -1.414 175.483 176.870 0.046 0.000 1.075 191 L CA 0.282 55.146 54.840 0.041 0.000 0.867 191 L CB 1.749 43.839 42.059 0.051 0.000 1.097 191 L HN -0.503 7.722 8.230 0.040 0.029 0.485 192 G N -5.861 102.970 108.800 0.052 0.000 2.430 192 G HA2 0.047 4.033 3.960 0.043 0.000 0.300 192 G HA3 0.047 4.241 3.960 0.061 -0.197 0.300 192 G C -2.631 172.299 174.900 0.050 0.000 1.330 192 G CA 0.391 45.523 45.100 0.052 0.000 0.813 192 G HN -0.652 7.669 8.290 0.051 0.000 0.487 193 T N -0.653 113.925 114.554 0.040 0.000 2.829 193 T HA 0.718 5.226 4.350 0.025 -0.142 0.280 193 T C -1.355 173.336 174.700 -0.014 0.000 0.999 193 T CA -1.994 60.118 62.100 0.019 0.000 0.983 193 T CB 3.013 71.886 68.868 0.008 0.000 0.968 193 T HN -0.110 8.156 8.240 0.043 0.000 0.446 194 L N 6.319 127.527 121.223 -0.026 0.000 2.313 194 L HA 0.864 5.274 4.340 -0.179 -0.177 0.283 194 L C -1.781 174.954 176.870 -0.224 0.000 1.013 194 L CA -1.323 53.462 54.840 -0.091 0.000 0.816 194 L CB 3.119 45.238 42.059 0.101 0.000 1.236 194 L HN 0.615 8.846 8.230 0.001 0.000 0.419 195 T N 8.435 122.613 114.554 -0.627 0.000 2.861 195 T HA 0.799 5.197 4.350 -0.282 -0.217 0.287 195 T C -1.552 172.763 174.700 -0.642 0.000 1.003 195 T CA -1.638 60.112 62.100 -0.583 0.000 0.977 195 T CB 2.442 71.019 68.868 -0.485 0.000 0.996 195 T HN 0.361 7.964 8.240 -1.062 0.000 0.448 196 Y N 5.419 125.380 120.300 -0.565 0.000 2.425 196 Y HA 0.867 5.345 4.550 -0.448 -0.197 0.344 196 Y C -2.500 173.144 175.900 -0.427 0.000 0.969 196 Y CA -3.032 54.647 58.100 -0.703 0.000 1.052 196 Y CB 3.066 40.410 38.460 -1.859 0.000 1.215 196 Y HN 0.271 8.450 8.280 -0.167 0.000 0.451 197 L N 4.571 125.327 121.223 -0.778 0.000 2.452 197 L HA -0.149 3.925 4.340 -0.443 0.000 0.267 197 L C 0.353 176.540 176.870 -1.138 0.000 1.188 197 L CA 0.036 54.468 54.840 -0.679 0.000 0.821 197 L CB 0.330 42.179 42.059 -0.350 0.000 1.102 197 L HN -0.316 7.609 8.230 -0.508 0.000 0.470 198 S N -0.284 115.051 115.700 -0.609 0.000 2.381 198 S HA -0.448 3.813 4.470 -0.348 0.000 0.230 198 S C 2.347 176.747 174.600 -0.334 0.000 1.052 198 S CA 3.771 61.730 58.200 -0.403 0.000 1.068 198 S CB -0.002 63.096 63.200 -0.171 0.000 0.918 198 S HN 0.274 8.348 8.310 -0.393 0.000 0.448 199 E N -0.711 119.327 120.200 -0.271 0.000 2.046 199 E HA -0.146 4.183 4.350 -0.035 0.000 0.190 199 E C 0.940 177.504 176.600 -0.061 0.000 0.982 199 E CA 2.213 58.545 56.400 -0.114 0.000 0.800 199 E CB 0.610 30.259 29.700 -0.085 0.000 0.756 199 E HN 0.237 8.431 8.360 -0.276 0.000 0.449 200 G N -2.775 105.886 108.800 -0.232 0.000 2.586 200 G HA2 -0.019 4.113 3.960 0.286 0.000 0.105 200 G HA3 -0.019 4.056 3.960 0.192 0.000 0.105 200 G C -2.167 172.633 174.900 -0.166 0.000 1.129 200 G CA -0.291 44.808 45.100 -0.003 0.000 1.127 200 G HN -0.532 7.535 8.290 -0.372 0.000 0.532 201 R N 0.261 120.853 120.500 0.153 0.000 1.756 201 R HA -0.455 4.079 4.340 0.324 0.000 0.379 201 R C -1.471 174.953 176.300 0.206 0.000 1.251 201 R CA 1.160 57.377 56.100 0.196 0.000 1.119 201 R CB -1.195 29.130 30.300 0.042 0.000 3.262 201 R HN 0.102 8.548 8.270 0.294 0.000 0.487 202 W N 2.204 123.733 121.300 0.382 0.000 2.475 202 W HA 0.270 5.124 4.660 0.323 0.000 0.317 202 W C -1.103 175.610 176.519 0.324 0.000 1.046 202 W CA -1.794 55.767 57.345 0.359 0.000 1.215 202 W CB 1.183 30.870 29.460 0.379 0.000 1.335 202 W HN -0.177 8.472 8.180 0.781 0.000 0.471 203 F N -0.635 119.476 119.950 0.268 0.000 2.578 203 F HA 0.894 5.592 4.527 0.053 -0.139 0.311 203 F C -2.755 173.123 175.800 0.130 0.000 1.094 203 F CA -2.449 55.616 58.000 0.109 0.000 0.923 203 F CB 3.252 42.254 39.000 0.003 0.000 1.230 203 F HN 0.469 8.707 8.300 -0.102 0.000 0.450 204 L N 2.510 123.785 121.223 0.087 0.000 2.296 204 L HA 0.540 5.020 4.340 0.024 -0.126 0.286 204 L C -1.829 175.082 176.870 0.069 0.000 1.023 204 L CA -1.934 52.941 54.840 0.057 0.000 0.812 204 L CB 3.879 46.020 42.059 0.136 0.000 1.223 204 L HN 0.302 8.543 8.230 0.018 0.000 0.421 205 A N 7.765 130.635 122.820 0.083 0.000 2.437 205 A HA 0.274 4.666 4.320 0.120 0.000 0.303 205 A C -1.201 176.419 177.584 0.061 0.000 1.324 205 A CA -1.348 50.748 52.037 0.097 0.000 0.983 205 A CB 0.100 19.163 19.000 0.106 0.000 1.142 205 A HN 1.202 9.261 8.150 0.042 0.117 0.541 206 L N 6.226 127.475 121.223 0.044 0.000 2.574 206 L HA -0.145 4.221 4.340 0.043 0.000 0.281 206 L C 0.312 177.202 176.870 0.034 0.000 1.212 206 L CA -0.070 54.791 54.840 0.035 0.000 1.082 206 L CB -2.351 39.720 42.059 0.020 0.000 1.362 206 L HN 0.308 8.562 8.230 0.040 0.000 0.451 207 R N 2.943 123.465 120.500 0.037 0.000 2.174 207 R HA -0.378 3.981 4.340 0.032 0.000 0.253 207 R C 0.285 176.599 176.300 0.025 0.000 1.165 207 R CA 2.234 58.353 56.100 0.031 0.000 0.984 207 R CB 0.199 30.518 30.300 0.030 0.000 0.873 207 R HN -0.233 8.047 8.270 0.043 0.015 0.456 208 E N -1.857 118.358 120.200 0.024 0.000 2.070 208 E HA 0.286 4.646 4.350 0.016 0.000 0.261 208 E C -2.049 174.560 176.600 0.016 0.000 0.926 208 E CA -3.051 53.360 56.400 0.019 0.000 0.760 208 E CB 0.460 30.171 29.700 0.019 0.000 1.133 208 E HN -0.294 8.046 8.360 0.028 0.037 0.420 209 P HA 0.009 4.683 4.420 0.010 -0.248 0.266 209 P C -0.971 176.333 177.300 0.006 0.000 1.186 209 P CA -0.023 63.083 63.100 0.009 0.000 0.767 209 P CB 0.760 32.462 31.700 0.005 0.000 0.820 210 I N 2.869 123.442 120.570 0.004 0.000 2.411 210 I HA 0.130 4.301 4.170 0.002 0.000 0.284 210 I C -1.299 174.815 176.117 -0.005 0.000 1.012 210 I CA -1.107 60.195 61.300 0.002 0.000 1.119 210 I CB 1.813 39.817 38.000 0.006 0.000 1.261 210 I HN -0.188 8.095 8.210 0.005 -0.071 0.448 211 N N 7.951 126.646 118.700 -0.010 0.000 2.524 211 N HA 0.309 5.148 4.740 -0.027 -0.115 0.283 211 N C -1.218 174.279 175.510 -0.022 0.000 1.142 211 N CA -1.262 51.776 53.050 -0.020 0.000 0.984 211 N CB 1.508 39.984 38.487 -0.019 0.000 1.155 211 N HN 0.338 8.714 8.380 -0.007 0.000 0.467 212 A N -1.447 121.351 122.820 -0.037 0.000 2.491 212 A HA 0.130 4.702 4.320 -0.025 -0.266 0.293 212 A C -2.043 175.505 177.584 -0.060 0.000 1.047 212 A CA -0.323 51.694 52.037 -0.034 0.000 0.735 212 A CB 2.938 21.928 19.000 -0.016 0.000 1.281 212 A HN 0.126 8.232 8.150 -0.053 0.012 0.398 213 D N 6.209 126.581 120.400 -0.048 0.000 2.390 213 D HA -0.065 4.663 4.640 -0.082 -0.137 0.249 213 D C -0.701 175.565 176.300 -0.056 0.000 1.144 213 D CA 1.774 55.737 54.000 -0.061 0.000 0.880 213 D CB 1.415 42.187 40.800 -0.046 0.000 1.182 213 D HN -0.092 8.470 8.370 -0.033 -0.212 0.451 214 T N 3.422 117.917 114.554 -0.098 0.000 2.883 214 T HA 0.426 4.787 4.350 0.020 0.000 0.301 214 T C -1.882 172.789 174.700 -0.048 0.000 1.158 214 T CA -1.858 60.203 62.100 -0.064 0.000 1.007 214 T CB 2.643 71.418 68.868 -0.154 0.000 1.186 214 T HN 0.795 8.838 8.240 -0.128 0.120 0.499 215 T N 6.177 120.763 114.554 0.053 0.000 2.888 215 T HA 0.529 5.131 4.350 0.093 -0.197 0.284 215 T C -1.167 173.611 174.700 0.129 0.000 1.017 215 T CA -0.724 61.431 62.100 0.092 0.000 1.022 215 T CB 1.553 70.475 68.868 0.090 0.000 1.013 215 T HN -0.027 8.287 8.240 0.124 0.000 0.465 216 F N 4.924 124.982 119.950 0.181 0.000 2.445 216 F HA -0.010 4.606 4.527 0.149 0.000 0.359 216 F C -0.216 175.614 175.800 0.051 0.000 1.101 216 F CA 1.209 59.297 58.000 0.147 0.000 1.177 216 F CB 0.705 39.865 39.000 0.267 0.000 1.110 216 F HN -0.227 8.306 8.300 0.388 0.000 0.522 217 T N 1.737 116.361 114.554 0.116 0.000 2.887 217 T HA 0.306 4.686 4.350 0.049 0.000 0.288 217 T C -1.693 173.053 174.700 0.076 0.000 1.021 217 T CA -1.374 60.731 62.100 0.009 0.000 1.000 217 T CB 3.280 72.015 68.868 -0.222 0.000 1.034 217 T HN 0.956 9.078 8.240 -0.006 0.115 0.467 218 S N 2.093 117.898 115.700 0.176 0.000 2.570 218 S HA 0.264 5.027 4.470 0.489 0.000 0.286 218 S C -1.440 173.253 174.600 0.155 0.000 1.099 218 S CA -1.280 57.117 58.200 0.328 0.000 0.913 218 S CB 1.968 65.388 63.200 0.366 0.000 1.085 218 S HN 0.155 8.499 8.310 0.058 0.000 0.480 219 F N 5.859 125.871 119.950 0.104 0.000 2.562 219 F HA 0.258 4.822 4.527 0.062 0.000 0.319 219 F C -2.129 173.727 175.800 0.093 0.000 1.154 219 F CA -0.847 57.206 58.000 0.088 0.000 0.931 219 F CB 3.702 42.778 39.000 0.126 0.000 1.198 219 F HN 0.066 8.572 8.300 0.344 0.000 0.444 220 S N 6.404 122.405 115.700 0.502 0.000 2.505 220 S HA 0.206 4.816 4.470 0.233 0.000 0.280 220 S C -0.920 173.850 174.600 0.284 0.000 1.197 220 S CA -0.681 57.693 58.200 0.289 0.000 1.138 220 S CB -0.446 62.850 63.200 0.160 0.000 1.010 220 S HN 0.411 8.999 8.310 0.463 0.000 0.480 221 E N 3.472 123.782 120.200 0.183 0.000 2.409 221 E HA 0.202 4.613 4.350 0.101 0.000 0.280 221 E C -2.237 174.364 176.600 0.002 0.000 1.079 221 E CA -0.428 56.022 56.400 0.083 0.000 0.840 221 E CB 2.633 32.377 29.700 0.074 0.000 1.309 221 E HN -0.090 8.360 8.360 0.151 0.000 0.447 222 D N 0.000 120.402 120.400 0.004 0.000 6.856 222 D HA 0.000 4.642 4.640 0.003 0.000 0.175 222 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 222 D CB 0.000 40.814 40.800 0.024 0.000 0.688 222 D HN 0.000 8.382 8.370 0.020 0.000 0.683