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 2w9l_1_G DATA FIRST_RESID 17 DATA SEQUENCE ARSLSITTPE EMIEKAKGET AYLPcKFTLS PEDQGPLDIE WLISPADNQK DATA SEQUENCE VDQVIILYSG DKIYDDYYPD LKGRVHFTSN DLKSGDASIN VTNLQLSDIG DATA SEQUENCE TYQcKVKKAP GVANKKIHLV VLV 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 17 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 17 A C 0.000 177.593 177.584 0.016 0.000 1.274 17 A CA 0.000 52.045 52.037 0.013 0.000 0.836 17 A CB 0.000 19.008 19.000 0.013 0.000 0.831 18 R N 0.402 120.910 120.500 0.014 0.000 2.148 18 R HA 0.211 4.551 4.340 -0.000 0.000 0.227 18 R C 0.816 177.125 176.300 0.014 0.000 1.103 18 R CA 2.125 58.232 56.100 0.012 0.000 0.983 18 R CB -0.230 30.076 30.300 0.009 0.000 0.874 18 R HN 0.933 9.203 8.270 -0.000 0.000 0.451 19 S N -2.462 113.249 115.700 0.019 0.000 2.727 19 S HA 0.347 4.817 4.470 -0.000 0.000 0.278 19 S C -1.648 172.972 174.600 0.033 0.000 1.186 19 S CA -0.902 57.310 58.200 0.021 0.000 0.836 19 S CB 0.158 63.365 63.200 0.011 0.000 1.186 19 S HN 0.104 8.414 8.310 -0.000 0.000 0.499 20 L N 2.960 124.201 121.223 0.030 0.000 2.410 20 L HA 0.572 4.912 4.340 -0.000 0.000 0.273 20 L C -0.488 176.404 176.870 0.036 0.000 1.144 20 L CA 0.424 55.291 54.840 0.045 0.000 0.863 20 L CB 0.649 42.714 42.059 0.010 0.000 1.140 20 L HN 0.860 9.090 8.230 -0.000 0.000 0.463 21 S N 4.847 120.591 115.700 0.073 0.000 2.588 21 S HA 0.642 5.112 4.470 -0.000 0.000 0.269 21 S C -0.908 173.755 174.600 0.105 0.000 1.157 21 S CA -1.020 57.214 58.200 0.058 0.000 0.824 21 S CB 1.478 64.704 63.200 0.043 0.000 1.126 21 S HN 0.438 8.748 8.310 -0.000 0.000 0.464 22 I N 1.175 121.788 120.570 0.072 0.000 2.693 22 I HA 0.471 4.641 4.170 -0.000 0.000 0.303 22 I C -0.310 175.845 176.117 0.064 0.000 1.025 22 I CA -0.831 60.525 61.300 0.094 0.000 1.086 22 I CB 2.345 40.378 38.000 0.055 0.000 1.268 22 I HN 0.643 8.853 8.210 -0.000 0.000 0.440 23 T N 1.673 116.268 114.554 0.069 0.000 2.806 23 T HA 0.271 4.621 4.350 -0.000 0.000 0.290 23 T C -0.077 174.654 174.700 0.050 0.000 0.966 23 T CA -0.271 61.860 62.100 0.051 0.000 1.060 23 T CB 0.723 69.620 68.868 0.048 0.000 0.927 23 T HN 0.902 9.142 8.240 -0.000 0.000 0.485 24 T N 1.849 116.425 114.554 0.038 0.000 2.964 24 T HA -0.091 4.259 4.350 -0.000 0.000 0.458 24 T C -1.776 172.943 174.700 0.033 0.000 0.776 24 T CA -0.221 61.899 62.100 0.033 0.000 2.376 24 T CB -1.301 67.590 68.868 0.038 0.000 1.655 24 T HN 0.519 8.759 8.240 -0.000 0.000 0.574 25 P HA 0.221 4.641 4.420 -0.000 0.000 0.242 25 P C 0.272 177.582 177.300 0.016 0.000 1.197 25 P CA 0.872 63.981 63.100 0.015 0.000 0.765 25 P CB 0.316 32.019 31.700 0.006 0.000 0.936 26 E N -0.230 119.977 120.200 0.012 0.000 2.343 26 E HA 0.508 4.858 4.350 -0.000 0.000 0.278 26 E C -1.515 175.075 176.600 -0.018 0.000 0.910 26 E CA -0.691 55.705 56.400 -0.007 0.000 0.757 26 E CB 1.965 31.646 29.700 -0.033 0.000 1.218 26 E HN -0.109 8.251 8.360 -0.000 0.000 0.435 27 E N 3.603 123.782 120.200 -0.036 0.000 2.552 27 E HA 0.249 4.599 4.350 -0.000 0.000 0.297 27 E C -1.473 175.118 176.600 -0.016 0.000 1.038 27 E CA -0.427 55.965 56.400 -0.013 0.000 0.856 27 E CB 0.942 30.663 29.700 0.036 0.000 1.222 27 E HN 0.551 8.911 8.360 -0.000 0.000 0.422 28 M N 2.974 122.565 119.600 -0.016 0.000 2.371 28 M HA 0.603 5.083 4.480 -0.000 0.000 0.301 28 M C -0.427 175.901 176.300 0.047 0.000 1.173 28 M CA -0.317 54.999 55.300 0.027 0.000 1.020 28 M CB 1.201 33.811 32.600 0.016 0.000 1.490 28 M HN 0.407 8.697 8.290 -0.000 0.000 0.485 29 I N 0.694 121.301 120.570 0.060 0.000 2.627 29 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 29 I C -1.334 174.809 176.117 0.043 0.000 1.202 29 I CA -0.490 60.836 61.300 0.044 0.000 1.050 29 I CB 2.119 40.136 38.000 0.028 0.000 1.264 29 I HN 0.663 8.873 8.210 -0.000 0.000 0.429 30 E N 6.337 126.558 120.200 0.034 0.000 2.158 30 E HA 0.542 4.892 4.350 -0.000 0.000 0.271 30 E C -1.050 175.564 176.600 0.023 0.000 0.911 30 E CA -0.978 55.441 56.400 0.032 0.000 0.767 30 E CB 2.262 31.980 29.700 0.030 0.000 1.120 30 E HN 0.249 8.609 8.360 -0.000 0.000 0.405 31 K N 0.933 121.345 120.400 0.020 0.000 2.444 31 K HA 0.660 4.980 4.320 -0.000 0.000 0.252 31 K C -0.696 175.913 176.600 0.016 0.000 0.993 31 K CA -0.962 55.333 56.287 0.014 0.000 0.847 31 K CB 2.163 34.666 32.500 0.005 0.000 1.340 31 K HN 0.533 8.783 8.250 -0.000 0.000 0.446 32 A N 1.026 123.853 122.820 0.013 0.000 2.271 32 A HA 0.283 4.603 4.320 -0.000 0.000 0.288 32 A C -0.039 177.552 177.584 0.013 0.000 1.094 32 A CA -0.353 51.693 52.037 0.014 0.000 0.828 32 A CB 0.320 19.326 19.000 0.011 0.000 1.091 32 A HN 0.646 8.796 8.150 -0.000 0.000 0.493 33 K N 0.031 120.440 120.400 0.015 0.000 2.447 33 K HA 0.331 4.651 4.320 -0.000 0.000 0.281 33 K C 1.040 177.647 176.600 0.012 0.000 1.031 33 K CA 1.079 57.375 56.287 0.016 0.000 1.019 33 K CB -0.202 32.308 32.500 0.017 0.000 0.918 33 K HN 1.565 9.815 8.250 -0.000 0.000 0.476 34 G N 3.111 111.918 108.800 0.011 0.000 2.279 34 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.223 34 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.223 34 G C -0.152 174.751 174.900 0.005 0.000 1.015 34 G CA 0.034 45.139 45.100 0.008 0.000 0.621 34 G HN 0.680 8.970 8.290 -0.000 0.000 0.506 35 E N 1.292 121.494 120.200 0.004 0.000 2.392 35 E HA 0.467 4.817 4.350 -0.000 0.000 0.256 35 E C 0.784 177.383 176.600 -0.002 0.000 1.145 35 E CA 0.431 56.832 56.400 0.001 0.000 0.929 35 E CB 0.581 30.282 29.700 0.002 0.000 0.998 35 E HN 0.442 8.802 8.360 -0.000 0.000 0.442 36 T N -2.060 112.492 114.554 -0.002 0.000 2.928 36 T HA 0.608 4.958 4.350 -0.000 0.000 0.284 36 T C -0.439 174.256 174.700 -0.008 0.000 1.008 36 T CA -0.958 61.138 62.100 -0.007 0.000 1.057 36 T CB 1.458 70.327 68.868 0.001 0.000 1.018 36 T HN 0.443 8.683 8.240 -0.000 0.000 0.493 37 A N 2.625 125.422 122.820 -0.039 0.000 2.288 37 A HA 0.570 4.890 4.320 -0.000 0.000 0.320 37 A C -1.049 176.512 177.584 -0.038 0.000 1.217 37 A CA -0.848 51.158 52.037 -0.052 0.000 0.840 37 A CB 0.346 19.264 19.000 -0.136 0.000 1.179 37 A HN 0.948 9.098 8.150 -0.000 0.000 0.504 38 Y N 3.914 124.156 120.300 -0.098 0.000 2.404 38 Y HA 0.543 5.093 4.550 -0.000 0.000 0.344 38 Y C -0.815 175.034 175.900 -0.086 0.000 0.970 38 Y CA -0.695 57.353 58.100 -0.088 0.000 1.180 38 Y CB 0.673 39.108 38.460 -0.042 0.000 1.138 38 Y HN 0.519 8.799 8.280 -0.000 0.000 0.510 39 L N 10.075 130.940 121.223 -0.598 0.000 2.287 39 L HA 0.404 4.744 4.340 -0.000 0.000 0.280 39 L C -2.422 174.192 176.870 -0.426 0.000 1.055 39 L CA -2.067 52.502 54.840 -0.451 0.000 0.863 39 L CB 0.572 42.301 42.059 -0.551 0.000 1.245 39 L HN 0.531 8.761 8.230 -0.000 0.000 0.432 40 P HA 0.092 4.512 4.420 -0.000 0.000 0.280 40 P C -0.582 176.811 177.300 0.155 0.000 1.244 40 P CA -0.414 62.594 63.100 -0.152 0.000 0.784 40 P CB 1.190 32.910 31.700 0.034 0.000 0.913 41 c N 4.853 123.591 118.600 0.231 0.000 3.418 41 c HA 0.341 4.911 4.570 -0.000 0.000 0.238 41 c C -0.447 173.800 174.090 0.262 0.000 1.205 41 c CA -0.568 55.912 56.329 0.251 0.000 1.376 41 c CB -0.991 41.694 42.510 0.291 0.000 1.826 41 c HN 0.476 8.706 8.230 -0.000 0.000 0.513 42 K N 3.329 123.839 120.400 0.183 0.000 2.159 42 K HA 0.762 5.082 4.320 -0.000 0.000 0.266 42 K C -0.670 176.016 176.600 0.144 0.000 0.975 42 K CA -0.242 56.112 56.287 0.111 0.000 0.865 42 K CB 1.407 33.932 32.500 0.042 0.000 1.087 42 K HN 0.607 8.857 8.250 -0.000 0.000 0.446 43 F N -1.695 118.258 119.950 0.004 0.000 2.613 43 F HA 0.553 5.080 4.527 -0.000 0.000 0.310 43 F C -0.835 174.959 175.800 -0.010 0.000 1.085 43 F CA -0.937 57.057 58.000 -0.009 0.000 0.945 43 F CB 1.461 40.446 39.000 -0.024 0.000 1.298 43 F HN 0.212 8.512 8.300 -0.000 0.000 0.455 44 T N 3.391 118.045 114.554 0.167 0.000 2.856 44 T HA 0.688 5.038 4.350 -0.000 0.000 0.283 44 T C -0.330 174.471 174.700 0.168 0.000 1.008 44 T CA -0.653 61.490 62.100 0.072 0.000 0.997 44 T CB 1.687 70.576 68.868 0.035 0.000 0.992 44 T HN 0.622 8.862 8.240 -0.000 0.000 0.454 45 L N 1.905 123.203 121.223 0.125 0.000 2.365 45 L HA 0.744 5.084 4.340 -0.000 0.000 0.267 45 L C 0.656 177.563 176.870 0.062 0.000 1.033 45 L CA -0.944 53.968 54.840 0.120 0.000 0.802 45 L CB 1.540 43.675 42.059 0.127 0.000 1.267 45 L HN 0.786 9.016 8.230 -0.000 0.000 0.457 46 S N -1.010 114.720 115.700 0.050 0.000 2.607 46 S HA 0.514 4.984 4.470 -0.000 0.000 0.303 46 S C -2.238 172.379 174.600 0.028 0.000 1.086 46 S CA -1.368 56.851 58.200 0.031 0.000 0.995 46 S CB 1.904 65.118 63.200 0.025 0.000 1.084 46 S HN 0.337 8.647 8.310 -0.000 0.000 0.507 47 P HA -0.189 4.231 4.420 -0.000 0.000 0.217 47 P C 1.340 178.651 177.300 0.018 0.000 1.151 47 P CA 1.572 64.683 63.100 0.018 0.000 0.849 47 P CB -0.078 31.630 31.700 0.013 0.000 0.787 48 E N -0.625 119.585 120.200 0.016 0.000 2.418 48 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 48 E C -0.139 176.469 176.600 0.014 0.000 1.026 48 E CA 0.554 56.962 56.400 0.013 0.000 0.862 48 E CB -0.715 28.991 29.700 0.010 0.000 0.799 48 E HN 0.203 8.563 8.360 -0.000 0.000 0.518 49 D N 2.330 122.742 120.400 0.020 0.000 2.541 49 D HA 0.031 4.671 4.640 -0.000 0.000 0.231 49 D C 0.208 176.522 176.300 0.024 0.000 1.163 49 D CA 0.289 54.301 54.000 0.021 0.000 1.077 49 D CB 0.784 41.603 40.800 0.031 0.000 1.110 49 D HN 0.318 8.688 8.370 -0.000 0.000 0.499 50 Q N 0.151 119.961 119.800 0.017 0.000 2.319 50 Q HA 0.158 4.498 4.340 -0.000 0.000 0.202 50 Q C 1.184 177.194 176.000 0.018 0.000 0.896 50 Q CA -0.260 55.554 55.803 0.018 0.000 0.942 50 Q CB 0.916 29.662 28.738 0.014 0.000 1.083 50 Q HN 0.325 8.595 8.270 -0.000 0.000 0.510 51 G N 2.119 110.928 108.800 0.014 0.000 2.616 51 G HA2 0.243 4.203 3.960 -0.000 0.000 0.268 51 G HA3 0.243 4.203 3.960 -0.000 0.000 0.268 51 G C -2.474 172.438 174.900 0.020 0.000 1.213 51 G CA -0.969 44.138 45.100 0.011 0.000 0.926 51 G HN -0.029 8.261 8.290 -0.000 0.000 0.523 52 P HA 0.112 4.532 4.420 -0.000 0.000 0.271 52 P C -0.363 176.960 177.300 0.038 0.000 1.216 52 P CA -0.500 62.619 63.100 0.031 0.000 0.771 52 P CB 1.251 32.963 31.700 0.020 0.000 0.864 53 L N 3.525 124.794 121.223 0.076 0.000 2.410 53 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 53 L C -0.003 176.937 176.870 0.117 0.000 1.152 53 L CA 0.914 55.808 54.840 0.090 0.000 0.855 53 L CB -0.519 41.635 42.059 0.159 0.000 1.129 53 L HN 0.273 8.503 8.230 -0.000 0.000 0.463 54 D N 5.012 125.441 120.400 0.049 0.000 2.472 54 D HA 0.255 4.895 4.640 -0.000 0.000 0.248 54 D C -1.012 175.296 176.300 0.014 0.000 1.271 54 D CA -0.315 53.713 54.000 0.047 0.000 0.888 54 D CB 0.355 41.154 40.800 -0.002 0.000 1.337 54 D HN 0.232 8.602 8.370 -0.000 0.000 0.526 55 I N 2.264 122.897 120.570 0.105 0.000 2.440 55 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 55 I C 0.658 176.860 176.117 0.142 0.000 0.995 55 I CA -0.651 60.691 61.300 0.069 0.000 1.306 55 I CB 1.133 39.226 38.000 0.154 0.000 1.407 55 I HN 0.379 8.589 8.210 -0.000 0.000 0.501 56 E N 4.510 124.730 120.200 0.032 0.000 2.366 56 E HA 0.422 4.772 4.350 -0.000 0.000 0.278 56 E C -2.200 174.381 176.600 -0.032 0.000 0.923 56 E CA -0.802 55.648 56.400 0.083 0.000 0.761 56 E CB 1.445 31.158 29.700 0.022 0.000 1.231 56 E HN 0.401 8.761 8.360 -0.000 0.000 0.443 57 W N 2.820 124.152 121.300 0.053 0.000 2.469 57 W HA 0.532 5.192 4.660 -0.000 0.000 0.320 57 W C -0.497 176.003 176.519 -0.031 0.000 1.086 57 W CA -0.467 56.888 57.345 0.017 0.000 1.211 57 W CB 1.415 30.877 29.460 0.002 0.000 1.298 57 W HN 0.351 8.531 8.180 -0.000 0.000 0.525 58 L N 4.602 125.933 121.223 0.181 0.000 2.333 58 L HA 0.671 5.011 4.340 -0.000 0.000 0.263 58 L C -0.879 175.958 176.870 -0.055 0.000 1.014 58 L CA -1.401 53.448 54.840 0.015 0.000 0.820 58 L CB 2.236 44.263 42.059 -0.053 0.000 1.352 58 L HN 0.353 8.583 8.230 -0.000 0.000 0.421 59 I N 0.377 120.790 120.570 -0.262 0.000 2.447 59 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 59 I C -0.663 175.220 176.117 -0.390 0.000 1.023 59 I CA 0.000 61.005 61.300 -0.492 0.000 1.083 59 I CB 1.900 39.413 38.000 -0.812 0.000 1.245 59 I HN 0.504 8.714 8.210 -0.000 0.000 0.434 60 S N 9.474 124.979 115.700 -0.324 0.000 2.464 60 S HA 0.389 4.859 4.470 -0.000 0.000 0.313 60 S C -2.411 172.047 174.600 -0.236 0.000 1.078 60 S CA -1.096 56.968 58.200 -0.226 0.000 1.096 60 S CB 0.373 63.471 63.200 -0.170 0.000 1.032 60 S HN 0.472 8.782 8.310 -0.000 0.000 0.498 61 P HA 0.219 4.639 4.420 -0.000 0.000 0.275 61 P C 0.386 177.641 177.300 -0.076 0.000 1.228 61 P CA -0.309 62.714 63.100 -0.128 0.000 0.786 61 P CB 1.055 32.742 31.700 -0.022 0.000 0.927 62 A N 2.973 125.759 122.820 -0.056 0.000 1.929 62 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 62 A C 1.596 179.172 177.584 -0.013 0.000 1.176 62 A CA 1.715 53.731 52.037 -0.034 0.000 0.628 62 A CB -1.381 17.607 19.000 -0.020 0.000 0.816 62 A HN 0.486 8.636 8.150 -0.000 0.000 0.444 63 D N 0.275 120.676 120.400 0.001 0.000 2.190 63 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 63 D C 0.585 176.891 176.300 0.009 0.000 0.992 63 D CA 1.508 55.515 54.000 0.012 0.000 0.854 63 D CB -0.165 40.650 40.800 0.024 0.000 0.936 63 D HN 0.807 9.177 8.370 -0.000 0.000 0.462 64 N N -1.526 117.180 118.700 0.009 0.000 2.629 64 N HA 0.143 4.883 4.740 -0.000 0.000 0.279 64 N C 0.317 175.827 175.510 0.001 0.000 1.344 64 N CA -0.744 52.311 53.050 0.009 0.000 0.789 64 N CB 1.036 39.533 38.487 0.018 0.000 1.508 64 N HN -0.375 8.005 8.380 -0.000 0.000 0.516 65 Q N 0.481 120.281 119.800 0.001 0.000 2.014 65 Q HA -0.139 4.201 4.340 -0.000 0.000 0.207 65 Q C -0.186 175.809 176.000 -0.008 0.000 0.993 65 Q CA 1.613 57.413 55.803 -0.005 0.000 0.850 65 Q CB -0.814 27.923 28.738 -0.003 0.000 0.916 65 Q HN 0.780 9.050 8.270 -0.000 0.000 0.417 66 K N 1.265 121.666 120.400 0.002 0.000 2.518 66 K HA 0.178 4.498 4.320 -0.000 0.000 0.276 66 K C 0.055 176.643 176.600 -0.020 0.000 0.974 66 K CA 0.055 56.342 56.287 0.001 0.000 0.986 66 K CB 0.818 33.333 32.500 0.025 0.000 0.901 66 K HN 0.024 8.274 8.250 -0.000 0.000 0.497 67 V N 1.547 121.442 119.914 -0.032 0.000 2.760 67 V HA 0.169 4.289 4.120 -0.000 0.000 0.309 67 V C -1.275 174.779 176.094 -0.066 0.000 1.077 67 V CA -0.431 61.834 62.300 -0.060 0.000 0.910 67 V CB 1.252 33.043 31.823 -0.053 0.000 1.008 67 V HN 0.969 9.159 8.190 -0.000 0.000 0.424 68 D N 3.942 124.284 120.400 -0.097 0.000 2.778 68 D HA -0.102 4.538 4.640 -0.000 0.000 0.246 68 D C -0.366 175.880 176.300 -0.090 0.000 1.107 68 D CA 0.681 54.623 54.000 -0.096 0.000 0.732 68 D CB -0.105 40.651 40.800 -0.073 0.000 1.055 68 D HN 0.693 9.063 8.370 -0.000 0.000 0.429 69 Q N -0.082 119.643 119.800 -0.124 0.000 2.241 69 Q HA 0.433 4.773 4.340 -0.000 0.000 0.254 69 Q C 0.541 176.463 176.000 -0.130 0.000 0.917 69 Q CA -0.621 55.130 55.803 -0.087 0.000 0.919 69 Q CB 1.901 30.627 28.738 -0.020 0.000 1.237 69 Q HN 0.090 8.360 8.270 -0.000 0.000 0.434 70 V N 4.256 124.133 119.914 -0.061 0.000 2.614 70 V HA 0.116 4.236 4.120 -0.000 0.000 0.291 70 V C 1.555 177.674 176.094 0.043 0.000 1.049 70 V CA 0.099 62.358 62.300 -0.068 0.000 1.038 70 V CB 0.261 31.937 31.823 -0.244 0.000 0.980 70 V HN 0.837 9.027 8.190 -0.000 0.000 0.481 71 I N 1.999 122.615 120.570 0.076 0.000 3.565 71 I HA 0.520 4.690 4.170 -0.000 0.000 0.287 71 I C 0.502 176.745 176.117 0.210 0.000 1.193 71 I CA 0.749 62.140 61.300 0.151 0.000 1.402 71 I CB 0.838 38.872 38.000 0.058 0.000 1.284 71 I HN 0.497 8.707 8.210 -0.000 0.000 0.454 72 I N 1.363 122.051 120.570 0.197 0.000 2.913 72 I HA 0.495 4.665 4.170 -0.000 0.000 0.302 72 I C -1.961 174.345 176.117 0.315 0.000 1.246 72 I CA -0.816 60.610 61.300 0.210 0.000 1.010 72 I CB 3.073 41.024 38.000 -0.081 0.000 1.259 72 I HN 0.064 8.274 8.210 -0.000 0.000 0.434 73 L N 6.010 127.492 121.223 0.431 0.000 2.431 73 L HA 0.448 4.788 4.340 -0.000 0.000 0.266 73 L C -1.839 175.411 176.870 0.634 0.000 0.978 73 L CA -0.779 54.339 54.840 0.463 0.000 0.822 73 L CB 2.394 44.696 42.059 0.404 0.000 1.310 73 L HN 0.538 8.768 8.230 -0.000 0.000 0.409 74 Y N 2.927 123.481 120.300 0.423 0.000 2.326 74 Y HA 0.601 5.151 4.550 -0.000 0.000 0.331 74 Y C -0.550 175.470 175.900 0.201 0.000 0.962 74 Y CA -0.208 58.067 58.100 0.291 0.000 1.167 74 Y CB 1.799 40.299 38.460 0.066 0.000 1.148 74 Y HN 0.477 8.757 8.280 -0.000 0.000 0.463 75 S N 3.789 119.343 115.700 -0.242 0.000 2.543 75 S HA 0.507 4.977 4.470 -0.000 0.000 0.273 75 S C 0.060 174.554 174.600 -0.176 0.000 1.152 75 S CA -0.047 58.069 58.200 -0.141 0.000 0.910 75 S CB 0.903 64.118 63.200 0.025 0.000 1.105 75 S HN 1.716 10.026 8.310 -0.000 0.000 0.465 76 G N 3.338 112.053 108.800 -0.142 0.000 2.341 76 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 76 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 76 G C 0.300 175.116 174.900 -0.140 0.000 1.021 76 G CA 1.262 46.313 45.100 -0.081 0.000 0.905 76 G HN 1.525 9.815 8.290 -0.000 0.000 0.508 77 D N -2.426 117.783 120.400 -0.318 0.000 3.090 77 D HA -0.150 4.490 4.640 -0.000 0.000 0.215 77 D C 0.594 176.746 176.300 -0.246 0.000 1.140 77 D CA 2.151 56.022 54.000 -0.216 0.000 0.937 77 D CB -0.646 40.147 40.800 -0.012 0.000 1.108 77 D HN 0.878 9.248 8.370 -0.000 0.000 0.420 78 K N -0.238 119.926 120.400 -0.393 0.000 2.385 78 K HA 0.666 4.986 4.320 -0.000 0.000 0.248 78 K C -0.426 175.982 176.600 -0.321 0.000 0.955 78 K CA -0.891 55.211 56.287 -0.308 0.000 0.816 78 K CB 1.874 34.159 32.500 -0.358 0.000 1.250 78 K HN -0.017 8.233 8.250 -0.000 0.000 0.434 79 I N 2.929 123.378 120.570 -0.203 0.000 2.339 79 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 79 I C -1.048 174.957 176.117 -0.186 0.000 0.994 79 I CA -0.708 60.626 61.300 0.056 0.000 1.191 79 I CB 0.589 38.756 38.000 0.280 0.000 1.343 79 I HN 0.436 8.646 8.210 -0.000 0.000 0.458 80 Y N 4.374 124.790 120.300 0.194 0.000 2.331 80 Y HA 0.268 4.818 4.550 -0.000 0.000 0.338 80 Y C 0.327 176.333 175.900 0.176 0.000 0.976 80 Y CA -0.851 57.337 58.100 0.146 0.000 1.137 80 Y CB 0.908 39.491 38.460 0.204 0.000 1.172 80 Y HN 0.578 8.858 8.280 -0.000 0.000 0.478 81 D N -0.671 119.801 120.400 0.120 0.000 2.620 81 D HA 0.030 4.670 4.640 -0.000 0.000 0.260 81 D C 0.361 176.646 176.300 -0.024 0.000 1.367 81 D CA -0.043 53.999 54.000 0.070 0.000 0.805 81 D CB 0.040 40.828 40.800 -0.020 0.000 1.096 81 D HN 0.453 8.823 8.370 -0.000 0.000 0.488 82 D N -0.604 119.679 120.400 -0.195 0.000 2.333 82 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 82 D C 0.990 177.215 176.300 -0.125 0.000 0.984 82 D CA 0.584 54.456 54.000 -0.214 0.000 0.873 82 D CB 0.037 40.648 40.800 -0.315 0.000 0.935 82 D HN 0.183 8.553 8.370 -0.000 0.000 0.521 83 Y N -0.750 119.603 120.300 0.088 0.000 2.220 83 Y HA -0.041 4.509 4.550 -0.000 0.000 0.291 83 Y C 0.596 176.582 175.900 0.143 0.000 1.129 83 Y CA 0.729 58.890 58.100 0.102 0.000 1.161 83 Y CB -0.350 38.174 38.460 0.107 0.000 0.997 83 Y HN -0.062 8.218 8.280 -0.000 0.000 0.522 84 Y N 2.396 122.788 120.300 0.153 0.000 2.454 84 Y HA 0.286 4.836 4.550 -0.000 0.000 0.345 84 Y C -1.796 174.128 175.900 0.040 0.000 0.970 84 Y CA -4.030 54.118 58.100 0.081 0.000 1.204 84 Y CB 0.961 39.460 38.460 0.066 0.000 1.122 84 Y HN -0.074 8.206 8.280 -0.000 0.000 0.514 85 P HA -0.194 4.226 4.420 -0.000 0.000 0.215 85 P C 1.087 178.282 177.300 -0.176 0.000 1.157 85 P CA 1.807 64.804 63.100 -0.172 0.000 0.874 85 P CB 0.508 32.092 31.700 -0.193 0.000 0.790 86 D N -0.833 119.362 120.400 -0.342 0.000 2.149 86 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 86 D C 1.667 177.976 176.300 0.015 0.000 0.990 86 D CA 1.043 54.950 54.000 -0.155 0.000 0.839 86 D CB -0.587 40.113 40.800 -0.166 0.000 0.948 86 D HN 0.222 8.592 8.370 -0.000 0.000 0.460 87 L N 0.187 121.486 121.223 0.126 0.000 2.591 87 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 87 L C 0.982 177.887 176.870 0.059 0.000 1.133 87 L CA -0.176 54.751 54.840 0.146 0.000 0.880 87 L CB -0.063 42.139 42.059 0.239 0.000 1.033 87 L HN -0.154 8.076 8.230 -0.000 0.000 0.450 88 K N 1.295 121.712 120.400 0.028 0.000 2.477 88 K HA -0.071 4.249 4.320 -0.000 0.000 0.275 88 K C 1.230 177.824 176.600 -0.009 0.000 1.054 88 K CA 1.017 57.303 56.287 -0.002 0.000 1.135 88 K CB 0.032 32.523 32.500 -0.014 0.000 0.854 88 K HN 0.326 8.576 8.250 -0.000 0.000 0.484 89 G N 3.971 112.747 108.800 -0.041 0.000 2.184 89 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.264 89 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.264 89 G C 0.722 175.639 174.900 0.028 0.000 0.975 89 G CA 0.621 45.710 45.100 -0.019 0.000 0.642 89 G HN 0.773 9.063 8.290 -0.000 0.000 0.536 90 R N -0.959 119.533 120.500 -0.013 0.000 2.373 90 R HA 0.332 4.672 4.340 -0.000 0.000 0.221 90 R C 0.454 176.759 176.300 0.008 0.000 0.893 90 R CA 0.353 56.480 56.100 0.044 0.000 1.049 90 R CB 1.026 31.347 30.300 0.034 0.000 1.119 90 R HN 0.312 8.582 8.270 -0.000 0.000 0.535 91 V N 2.349 122.165 119.914 -0.163 0.000 2.439 91 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 91 V C -0.246 175.563 176.094 -0.475 0.000 1.039 91 V CA -0.380 61.773 62.300 -0.245 0.000 0.913 91 V CB 1.408 33.089 31.823 -0.238 0.000 0.983 91 V HN 0.229 8.419 8.190 -0.000 0.000 0.460 92 H N 3.203 122.158 119.070 -0.192 0.000 3.029 92 H HA 0.359 4.915 4.556 -0.000 0.000 0.358 92 H C -1.017 174.225 175.328 -0.144 0.000 1.129 92 H CA -0.657 55.316 56.048 -0.125 0.000 1.230 92 H CB 1.697 31.444 29.762 -0.025 0.000 1.827 92 H HN 0.450 8.730 8.280 -0.000 0.000 0.530 93 F N 1.587 121.607 119.950 0.117 0.000 2.553 93 F HA -0.039 4.488 4.527 -0.000 0.000 0.356 93 F C 2.059 177.924 175.800 0.109 0.000 1.142 93 F CA 0.541 58.598 58.000 0.096 0.000 1.322 93 F CB 0.850 39.921 39.000 0.119 0.000 1.126 93 F HN 0.556 8.856 8.300 -0.000 0.000 0.599 94 T N -2.838 111.910 114.554 0.324 0.000 3.022 94 T HA 0.121 4.471 4.350 -0.000 0.000 0.250 94 T C 0.500 175.310 174.700 0.184 0.000 1.060 94 T CA 0.249 62.493 62.100 0.239 0.000 1.013 94 T CB 0.059 69.127 68.868 0.334 0.000 0.982 94 T HN 0.398 8.638 8.240 -0.000 0.000 0.508 95 S N 2.272 118.073 115.700 0.168 0.000 2.596 95 S HA 0.366 4.836 4.470 -0.000 0.000 0.318 95 S C 0.527 175.151 174.600 0.040 0.000 1.097 95 S CA -0.798 57.454 58.200 0.087 0.000 1.080 95 S CB 0.560 63.802 63.200 0.070 0.000 0.991 95 S HN 0.391 8.701 8.310 -0.000 0.000 0.471 96 N N 3.185 121.905 118.700 0.033 0.000 2.571 96 N HA 0.003 4.743 4.740 -0.000 0.000 0.189 96 N C -0.162 175.340 175.510 -0.014 0.000 1.154 96 N CA 0.176 53.237 53.050 0.018 0.000 0.907 96 N CB 0.026 38.531 38.487 0.030 0.000 0.977 96 N HN 0.485 8.865 8.380 -0.000 0.000 0.449 97 D N 0.264 120.646 120.400 -0.031 0.000 2.930 97 D HA 0.133 4.773 4.640 -0.000 0.000 0.304 97 D C 0.693 176.933 176.300 -0.100 0.000 1.298 97 D CA -0.296 53.672 54.000 -0.054 0.000 0.949 97 D CB -0.021 40.753 40.800 -0.044 0.000 1.013 97 D HN 0.178 8.548 8.370 -0.000 0.000 0.510 98 L N 1.197 122.327 121.223 -0.155 0.000 2.072 98 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 98 L C 2.023 178.777 176.870 -0.192 0.000 1.079 98 L CA 0.940 55.626 54.840 -0.256 0.000 0.752 98 L CB 0.114 41.840 42.059 -0.555 0.000 0.906 98 L HN 0.034 8.264 8.230 -0.000 0.000 0.436 99 K N -0.716 119.594 120.400 -0.150 0.000 2.360 99 K HA -0.056 4.264 4.320 -0.000 0.000 0.201 99 K C 1.757 178.343 176.600 -0.023 0.000 1.046 99 K CA 1.148 57.418 56.287 -0.029 0.000 0.945 99 K CB -0.084 32.426 32.500 0.018 0.000 0.750 99 K HN 0.292 8.542 8.250 -0.000 0.000 0.464 100 S N -0.169 115.464 115.700 -0.111 0.000 2.558 100 S HA 0.094 4.564 4.470 -0.000 0.000 0.217 100 S C 1.014 175.402 174.600 -0.353 0.000 0.975 100 S CA 0.587 58.693 58.200 -0.157 0.000 0.912 100 S CB 0.723 63.852 63.200 -0.119 0.000 0.776 100 S HN 0.588 8.898 8.310 -0.000 0.000 0.526 101 G N 1.634 110.045 108.800 -0.648 0.000 2.263 101 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.207 101 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.207 101 G C -0.941 173.312 174.900 -1.079 0.000 1.072 101 G CA -0.476 43.701 45.100 -1.539 0.000 0.800 101 G HN 0.272 8.562 8.290 -0.000 0.000 0.491 102 D N 0.328 120.447 120.400 -0.469 0.000 2.330 102 D HA 0.603 5.243 4.640 -0.000 0.000 0.249 102 D C 0.810 177.205 176.300 0.158 0.000 1.306 102 D CA 0.280 54.244 54.000 -0.059 0.000 0.956 102 D CB 0.809 41.586 40.800 -0.038 0.000 1.261 102 D HN 0.400 8.770 8.370 -0.000 0.000 0.544 103 A N 2.142 125.188 122.820 0.376 0.000 2.327 103 A HA 0.251 4.571 4.320 -0.000 0.000 0.228 103 A C 0.710 178.711 177.584 0.695 0.000 1.275 103 A CA -0.243 52.074 52.037 0.466 0.000 0.875 103 A CB -0.111 19.130 19.000 0.402 0.000 0.925 103 A HN 0.355 8.505 8.150 -0.000 0.000 0.493 104 S N 0.580 116.537 115.700 0.427 0.000 2.560 104 S HA 0.438 4.908 4.470 -0.000 0.000 0.284 104 S C 0.240 174.927 174.600 0.146 0.000 1.327 104 S CA 0.065 58.396 58.200 0.218 0.000 1.055 104 S CB 0.344 63.537 63.200 -0.012 0.000 0.868 104 S HN 0.583 8.893 8.310 -0.000 0.000 0.506 105 I N -0.136 120.266 120.570 -0.280 0.000 2.957 105 I HA 0.671 4.841 4.170 -0.000 0.000 0.310 105 I C -0.778 175.120 176.117 -0.365 0.000 1.063 105 I CA -1.141 59.906 61.300 -0.423 0.000 1.033 105 I CB 1.777 39.217 38.000 -0.933 0.000 1.230 105 I HN 0.239 8.449 8.210 -0.000 0.000 0.447 106 N N 2.285 120.864 118.700 -0.202 0.000 2.362 106 N HA 0.527 5.267 4.740 -0.000 0.000 0.298 106 N C -1.224 174.193 175.510 -0.155 0.000 1.048 106 N CA -0.432 52.553 53.050 -0.108 0.000 0.858 106 N CB 2.615 41.122 38.487 0.034 0.000 1.218 106 N HN 0.451 8.831 8.380 -0.000 0.000 0.488 107 V N 2.057 121.867 119.914 -0.173 0.000 2.334 107 V HA 0.351 4.471 4.120 -0.000 0.000 0.281 107 V C 0.460 176.521 176.094 -0.055 0.000 1.016 107 V CA -0.674 61.545 62.300 -0.135 0.000 0.832 107 V CB 0.960 32.651 31.823 -0.220 0.000 0.999 107 V HN 0.762 8.952 8.190 -0.000 0.000 0.439 108 T N 1.317 115.870 114.554 -0.003 0.000 2.918 108 T HA 0.417 4.767 4.350 -0.000 0.000 0.283 108 T C 0.504 175.211 174.700 0.012 0.000 1.001 108 T CA -0.497 61.610 62.100 0.011 0.000 1.041 108 T CB 0.768 69.654 68.868 0.031 0.000 1.028 108 T HN 0.705 8.945 8.240 -0.000 0.000 0.511 109 N N 0.401 119.107 118.700 0.010 0.000 2.688 109 N HA -0.158 4.582 4.740 -0.000 0.000 0.258 109 N C -0.512 175.007 175.510 0.016 0.000 1.016 109 N CA 0.127 53.185 53.050 0.013 0.000 0.747 109 N CB -1.716 36.781 38.487 0.017 0.000 0.895 109 N HN 0.751 9.131 8.380 -0.000 0.000 0.543 110 L N 0.404 121.634 121.223 0.010 0.000 2.593 110 L HA -0.100 4.240 4.340 -0.000 0.000 0.287 110 L C 1.191 178.077 176.870 0.028 0.000 1.243 110 L CA 0.657 55.507 54.840 0.017 0.000 0.890 110 L CB 0.237 42.302 42.059 0.009 0.000 1.134 110 L HN 0.399 8.629 8.230 -0.000 0.000 0.502 111 Q N 3.055 122.880 119.800 0.042 0.000 2.195 111 Q HA 0.268 4.608 4.340 -0.000 0.000 0.250 111 Q C 0.947 176.976 176.000 0.049 0.000 0.988 111 Q CA -0.675 55.154 55.803 0.043 0.000 0.911 111 Q CB 1.496 30.264 28.738 0.051 0.000 1.258 111 Q HN 0.583 8.853 8.270 -0.000 0.000 0.475 112 L N 0.600 121.848 121.223 0.041 0.000 2.141 112 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 112 L C 2.001 178.903 176.870 0.053 0.000 1.094 112 L CA 1.544 56.409 54.840 0.042 0.000 0.763 112 L CB -0.279 41.799 42.059 0.032 0.000 0.908 112 L HN 0.634 8.864 8.230 -0.000 0.000 0.437 113 S N -2.065 113.668 115.700 0.056 0.000 2.607 113 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 113 S C 1.095 175.753 174.600 0.097 0.000 0.969 113 S CA 0.404 58.643 58.200 0.065 0.000 0.927 113 S CB -0.302 62.930 63.200 0.055 0.000 0.772 113 S HN 0.321 8.631 8.310 -0.000 0.000 0.533 114 D N 1.417 121.886 120.400 0.116 0.000 2.347 114 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 114 D C 0.453 176.874 176.300 0.203 0.000 0.985 114 D CA -0.053 54.058 54.000 0.184 0.000 0.879 114 D CB -0.288 40.620 40.800 0.180 0.000 0.919 114 D HN 0.467 8.837 8.370 -0.000 0.000 0.526 115 I N 0.912 121.557 120.570 0.125 0.000 2.906 115 I HA 0.147 4.317 4.170 -0.000 0.000 0.301 115 I C 1.202 177.352 176.117 0.055 0.000 1.221 115 I CA 0.770 62.134 61.300 0.106 0.000 1.435 115 I CB 0.134 38.172 38.000 0.063 0.000 1.345 115 I HN 0.042 8.252 8.210 -0.000 0.000 0.558 116 G N 3.830 112.663 108.800 0.056 0.000 2.320 116 G HA2 0.140 4.100 3.960 -0.000 0.000 0.297 116 G HA3 0.140 4.100 3.960 -0.000 0.000 0.297 116 G C -1.152 173.694 174.900 -0.089 0.000 1.344 116 G CA -0.833 44.208 45.100 -0.098 0.000 0.851 116 G HN 0.366 8.656 8.290 -0.000 0.000 0.567 117 T N 1.288 115.714 114.554 -0.214 0.000 2.733 117 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 117 T C -0.873 173.755 174.700 -0.120 0.000 0.956 117 T CA 0.275 62.282 62.100 -0.154 0.000 0.987 117 T CB 0.220 68.891 68.868 -0.330 0.000 0.920 117 T HN 0.322 8.562 8.240 -0.000 0.000 0.470 118 Y N 2.439 122.774 120.300 0.058 0.000 2.320 118 Y HA 0.428 4.978 4.550 -0.000 0.000 0.334 118 Y C 0.694 176.724 175.900 0.216 0.000 1.055 118 Y CA -0.739 57.450 58.100 0.148 0.000 1.143 118 Y CB 1.200 39.773 38.460 0.187 0.000 1.193 118 Y HN 0.475 8.755 8.280 -0.000 0.000 0.477 119 Q N 2.746 122.710 119.800 0.273 0.000 2.353 119 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 119 Q C -1.615 174.228 176.000 -0.261 0.000 1.045 119 Q CA -0.771 55.051 55.803 0.031 0.000 0.811 119 Q CB 1.819 30.537 28.738 -0.034 0.000 1.305 119 Q HN 0.854 9.124 8.270 -0.000 0.000 0.447 120 c N 4.826 123.040 118.600 -0.643 0.000 2.281 120 c HA 0.538 5.108 4.570 -0.000 0.000 0.323 120 c C -0.756 172.998 174.090 -0.560 0.000 1.270 120 c CA -0.409 55.238 56.329 -1.136 0.000 1.559 120 c CB -0.068 41.525 42.510 -1.528 0.000 2.239 120 c HN 0.807 9.037 8.230 -0.000 0.000 0.488 121 K N 5.067 125.207 120.400 -0.433 0.000 2.307 121 K HA 0.676 4.996 4.320 -0.000 0.000 0.263 121 K C -1.244 175.198 176.600 -0.264 0.000 0.973 121 K CA -0.395 55.730 56.287 -0.269 0.000 0.846 121 K CB 1.474 33.864 32.500 -0.182 0.000 1.100 121 K HN 0.617 8.867 8.250 -0.000 0.000 0.438 122 V N 4.696 124.443 119.914 -0.278 0.000 2.448 122 V HA 0.392 4.512 4.120 -0.000 0.000 0.295 122 V C -0.612 175.322 176.094 -0.268 0.000 1.025 122 V CA -0.820 61.266 62.300 -0.356 0.000 0.859 122 V CB 1.548 33.007 31.823 -0.608 0.000 0.988 122 V HN 0.683 8.873 8.190 -0.000 0.000 0.431 123 K N 3.869 124.142 120.400 -0.211 0.000 2.426 123 K HA 0.625 4.945 4.320 -0.000 0.000 0.254 123 K C -0.853 175.684 176.600 -0.105 0.000 0.936 123 K CA -0.806 55.401 56.287 -0.134 0.000 0.801 123 K CB 2.509 34.956 32.500 -0.088 0.000 1.139 123 K HN 0.547 8.797 8.250 -0.000 0.000 0.424 124 K N 2.374 122.728 120.400 -0.077 0.000 2.832 124 K HA 0.274 4.594 4.320 -0.000 0.000 0.243 124 K C -1.031 175.559 176.600 -0.017 0.000 1.117 124 K CA -0.330 55.937 56.287 -0.032 0.000 1.068 124 K CB 1.253 33.746 32.500 -0.013 0.000 1.286 124 K HN 0.813 9.063 8.250 -0.000 0.000 0.553 125 A N 3.746 126.556 122.820 -0.016 0.000 2.587 125 A HA 0.106 4.426 4.320 -0.000 0.000 0.235 125 A C -1.490 176.091 177.584 -0.005 0.000 1.044 125 A CA -0.561 51.468 52.037 -0.014 0.000 0.754 125 A CB -0.097 18.895 19.000 -0.012 0.000 0.968 125 A HN 0.606 8.756 8.150 -0.000 0.000 0.509 126 P HA 0.031 4.451 4.420 -0.000 0.000 0.249 126 P C 0.764 178.054 177.300 -0.017 0.000 1.241 126 P CA 0.764 63.858 63.100 -0.011 0.000 0.781 126 P CB -0.300 31.395 31.700 -0.007 0.000 1.088 127 G N 0.273 109.062 108.800 -0.018 0.000 2.441 127 G HA2 0.395 4.355 3.960 -0.000 0.000 0.243 127 G HA3 0.395 4.355 3.960 -0.000 0.000 0.243 127 G C -0.664 174.206 174.900 -0.049 0.000 1.281 127 G CA 0.060 45.144 45.100 -0.027 0.000 0.854 127 G HN 0.046 8.336 8.290 -0.000 0.000 0.560 128 V N 0.557 120.439 119.914 -0.054 0.000 2.851 128 V HA 0.825 4.945 4.120 -0.000 0.000 0.307 128 V C 0.006 176.056 176.094 -0.074 0.000 1.129 128 V CA -0.502 61.753 62.300 -0.075 0.000 0.932 128 V CB 1.305 33.091 31.823 -0.063 0.000 1.024 128 V HN 1.390 9.580 8.190 -0.000 0.000 0.426 129 A N 3.827 126.585 122.820 -0.104 0.000 2.587 129 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 129 A C -1.001 176.511 177.584 -0.120 0.000 1.087 129 A CA -0.428 51.555 52.037 -0.089 0.000 0.692 129 A CB 2.162 21.121 19.000 -0.067 0.000 1.291 129 A HN 1.312 9.462 8.150 -0.000 0.000 0.407 130 N N 0.238 118.878 118.700 -0.099 0.000 2.494 130 N HA 0.690 5.430 4.740 -0.000 0.000 0.270 130 N C -1.212 174.242 175.510 -0.094 0.000 1.285 130 N CA -0.884 52.090 53.050 -0.127 0.000 0.812 130 N CB 2.076 40.491 38.487 -0.119 0.000 1.557 130 N HN 0.695 9.075 8.380 -0.000 0.000 0.487 131 K N 1.015 121.343 120.400 -0.120 0.000 2.498 131 K HA 0.398 4.718 4.320 -0.000 0.000 0.254 131 K C -1.704 174.877 176.600 -0.033 0.000 0.933 131 K CA -0.774 55.477 56.287 -0.060 0.000 0.806 131 K CB 1.777 34.248 32.500 -0.048 0.000 1.301 131 K HN 0.615 8.865 8.250 -0.000 0.000 0.432 132 K N 3.696 124.127 120.400 0.051 0.000 2.270 132 K HA 0.506 4.826 4.320 -0.000 0.000 0.255 132 K C -0.819 175.913 176.600 0.219 0.000 0.936 132 K CA -0.673 55.698 56.287 0.140 0.000 0.809 132 K CB 1.800 34.405 32.500 0.175 0.000 1.131 132 K HN 0.436 8.686 8.250 -0.000 0.000 0.427 133 I N 3.401 124.157 120.570 0.309 0.000 2.411 133 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 133 I C -0.816 175.550 176.117 0.415 0.000 1.012 133 I CA -0.974 60.512 61.300 0.310 0.000 1.119 133 I CB 1.078 39.233 38.000 0.258 0.000 1.261 133 I HN 0.491 8.701 8.210 -0.000 0.000 0.448 134 H N 5.990 125.135 119.070 0.126 0.000 2.864 134 H HA 0.341 4.897 4.556 -0.000 0.000 0.281 134 H C -0.547 174.855 175.328 0.123 0.000 1.093 134 H CA -0.510 55.610 56.048 0.120 0.000 1.453 134 H CB 0.726 30.532 29.762 0.073 0.000 1.462 134 H HN 0.310 8.590 8.280 -0.000 0.000 0.480 135 L N 4.898 126.286 121.223 0.275 0.000 2.307 135 L HA 0.495 4.835 4.340 -0.000 0.000 0.284 135 L C -0.946 176.015 176.870 0.152 0.000 1.023 135 L CA -0.544 54.404 54.840 0.180 0.000 0.810 135 L CB 1.237 43.374 42.059 0.130 0.000 1.231 135 L HN 0.351 8.581 8.230 -0.000 0.000 0.423 136 V N 5.140 125.115 119.914 0.101 0.000 2.769 136 V HA 0.680 4.800 4.120 -0.000 0.000 0.312 136 V C -0.735 175.394 176.094 0.058 0.000 1.061 136 V CA -0.731 61.617 62.300 0.080 0.000 0.931 136 V CB 2.136 34.001 31.823 0.070 0.000 1.010 136 V HN 0.525 8.715 8.190 -0.000 0.000 0.433 137 V N 5.088 125.034 119.914 0.053 0.000 2.525 137 V HA 0.516 4.636 4.120 -0.000 0.000 0.299 137 V C -0.244 175.870 176.094 0.034 0.000 1.034 137 V CA -0.387 61.938 62.300 0.041 0.000 0.863 137 V CB 1.416 33.266 31.823 0.045 0.000 0.999 137 V HN 0.651 8.841 8.190 -0.000 0.000 0.423 138 L N 4.112 125.351 121.223 0.027 0.000 2.544 138 L HA 0.814 5.154 4.340 -0.000 0.000 0.256 138 L C -0.230 176.652 176.870 0.020 0.000 1.097 138 L CA -0.815 54.039 54.840 0.023 0.000 0.812 138 L CB 1.678 43.749 42.059 0.021 0.000 1.440 138 L HN 0.362 8.592 8.230 -0.000 0.000 0.496 139 V N 0.000 119.924 119.914 0.017 0.000 2.409 139 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 139 V CA 0.000 62.308 62.300 0.014 0.000 1.235 139 V CB 0.000 31.831 31.823 0.013 0.000 1.184 139 V HN 0.000 8.190 8.190 -0.000 0.000 0.556