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 2c9t_1_J DATA FIRST_RESID 1 DATA SEQUENCE QANLMRLKSD LFNRSPMYPG PTKDDPLTVT LGFTLQDIVK VDSSTNEVDL DATA SEQUENCE VYYEQQRWKL NSLMWDPNEY GNITDFRTSA ADIWTPDITA YSSTRPVQVL DATA SEQUENCE SPQIAVVTHD GSVMFIPAQR LSFMcDPTGV DSEEGVTcAV KFGSWVYSGF DATA SEQUENCE EIDLKTDTDQ VDLSSYYASS KYEILSATQT RQVQHYSCCP EPYIDVNLVV DATA SEQUENCE KFRER 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 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1 Q C 0.000 175.975 176.000 -0.041 0.000 1.003 1 Q CA 0.000 55.785 55.803 -0.029 0.000 1.022 1 Q CB 0.000 28.725 28.738 -0.022 0.000 1.108 2 A N 2.285 125.086 122.820 -0.031 0.000 1.865 2 A HA -0.195 4.121 4.320 -0.008 0.000 0.217 2 A C 1.904 179.465 177.584 -0.038 0.000 1.191 2 A CA 2.061 54.078 52.037 -0.033 0.000 0.623 2 A CB -0.672 18.313 19.000 -0.025 0.000 0.826 2 A HN 0.372 8.522 8.150 -0.000 0.000 0.444 3 N N -0.306 118.378 118.700 -0.028 0.000 2.120 3 N HA -0.129 4.607 4.740 -0.008 0.000 0.188 3 N C 1.611 177.090 175.510 -0.051 0.000 1.024 3 N CA 1.498 54.544 53.050 -0.006 0.000 0.852 3 N CB -0.603 37.894 38.487 0.017 0.000 1.003 3 N HN 0.397 8.777 8.380 -0.000 0.000 0.424 4 L N 1.082 122.237 121.223 -0.115 0.000 2.046 4 L HA 0.000 4.336 4.340 -0.008 0.000 0.208 4 L C 2.121 178.816 176.870 -0.292 0.000 1.077 4 L CA 1.409 56.099 54.840 -0.249 0.000 0.747 4 L CB -0.559 41.386 42.059 -0.188 0.000 0.896 4 L HN 0.124 8.354 8.230 -0.000 0.000 0.432 5 M N -1.275 118.222 119.600 -0.171 0.000 2.117 5 M HA -0.217 4.258 4.480 -0.008 0.000 0.262 5 M C 2.450 178.660 176.300 -0.150 0.000 1.065 5 M CA 1.621 56.834 55.300 -0.146 0.000 1.114 5 M CB -0.326 32.226 32.600 -0.081 0.000 1.361 5 M HN 0.173 8.463 8.290 -0.000 0.000 0.408 6 R N 0.170 120.610 120.500 -0.100 0.000 2.083 6 R HA -0.189 4.146 4.340 -0.008 0.000 0.237 6 R C 2.157 178.408 176.300 -0.082 0.000 1.137 6 R CA 1.469 57.546 56.100 -0.039 0.000 0.951 6 R CB -0.592 29.735 30.300 0.044 0.000 0.851 6 R HN 0.233 8.503 8.270 -0.000 0.000 0.434 7 L N 1.539 122.608 121.223 -0.257 0.000 2.042 7 L HA -0.197 4.139 4.340 -0.008 0.000 0.210 7 L C 1.687 178.073 176.870 -0.806 0.000 1.076 7 L CA 1.886 56.251 54.840 -0.791 0.000 0.749 7 L CB -0.250 41.054 42.059 -1.258 0.000 0.893 7 L HN 0.017 8.247 8.230 -0.000 0.000 0.432 8 K N -1.146 118.819 120.400 -0.725 0.000 2.025 8 K HA -0.142 4.173 4.320 -0.008 0.000 0.207 8 K C 2.322 178.665 176.600 -0.427 0.000 1.049 8 K CA 1.392 57.252 56.287 -0.713 0.000 0.933 8 K CB -0.426 31.837 32.500 -0.395 0.000 0.714 8 K HN 0.388 8.638 8.250 -0.000 0.000 0.438 9 S N 1.396 116.958 115.700 -0.229 0.000 2.365 9 S HA -0.208 4.257 4.470 -0.008 0.000 0.225 9 S C 1.465 176.000 174.600 -0.108 0.000 1.039 9 S CA 1.934 60.072 58.200 -0.103 0.000 1.033 9 S CB -0.269 62.893 63.200 -0.064 0.000 0.887 9 S HN 0.198 8.508 8.310 -0.000 0.000 0.447 10 D N 0.871 121.176 120.400 -0.159 0.000 2.123 10 D HA 0.039 4.674 4.640 -0.008 0.000 0.200 10 D C 1.986 178.196 176.300 -0.150 0.000 0.976 10 D CA 0.836 54.777 54.000 -0.098 0.000 0.831 10 D CB -0.396 40.390 40.800 -0.022 0.000 0.974 10 D HN 0.386 8.756 8.370 -0.000 0.000 0.469 11 L N -0.612 120.393 121.223 -0.365 0.000 2.109 11 L HA -0.090 4.245 4.340 -0.008 0.000 0.207 11 L C 1.696 178.470 176.870 -0.161 0.000 1.086 11 L CA 0.830 55.438 54.840 -0.387 0.000 0.760 11 L CB -0.101 41.492 42.059 -0.777 0.000 0.910 11 L HN -0.004 8.226 8.230 -0.000 0.000 0.437 12 F N -1.386 118.562 119.950 -0.003 0.000 2.653 12 F HA 0.126 4.649 4.527 -0.007 0.000 0.288 12 F C 1.800 177.615 175.800 0.024 0.000 1.121 12 F CA -0.106 57.909 58.000 0.026 0.000 1.384 12 F CB -0.504 38.508 39.000 0.021 0.000 1.115 12 F HN 0.011 8.311 8.300 -0.000 0.000 0.599 13 N N -0.084 118.711 118.700 0.158 0.000 2.299 13 N HA 0.093 4.829 4.740 -0.008 0.000 0.187 13 N C 1.591 177.144 175.510 0.073 0.000 1.099 13 N CA 0.189 53.302 53.050 0.104 0.000 0.867 13 N CB 0.033 38.560 38.487 0.068 0.000 0.974 13 N HN 0.227 8.607 8.380 -0.000 0.000 0.477 14 R N -0.257 120.284 120.500 0.067 0.000 2.075 14 R HA 0.261 4.596 4.340 -0.008 0.000 0.220 14 R C 0.351 176.691 176.300 0.066 0.000 1.118 14 R CA 0.538 56.670 56.100 0.055 0.000 0.986 14 R CB 0.124 30.449 30.300 0.043 0.000 0.884 14 R HN -0.044 8.226 8.270 -0.000 0.000 0.439 15 S N 0.543 116.296 115.700 0.087 0.000 2.718 15 S HA 0.436 4.902 4.470 -0.008 0.000 0.300 15 S C -2.303 172.358 174.600 0.101 0.000 1.117 15 S CA -1.222 57.032 58.200 0.090 0.000 1.002 15 S CB 1.658 64.918 63.200 0.100 0.000 1.092 15 S HN -0.030 8.280 8.310 -0.000 0.000 0.542 16 P HA 0.232 4.652 4.420 -0.000 0.000 0.274 16 P C -0.420 176.955 177.300 0.125 0.000 1.256 16 P CA -0.535 62.620 63.100 0.093 0.000 0.795 16 P CB 0.366 32.107 31.700 0.069 0.000 1.038 17 M N 0.898 120.575 119.600 0.129 0.000 2.226 17 M HA 0.099 4.574 4.480 -0.008 0.000 0.324 17 M C -0.254 176.163 176.300 0.195 0.000 1.112 17 M CA -0.480 54.929 55.300 0.181 0.000 1.176 17 M CB 0.144 32.845 32.600 0.169 0.000 1.430 17 M HN 0.309 8.599 8.290 -0.000 0.000 0.462 18 Y N 5.952 126.311 120.300 0.099 0.000 2.802 18 Y HA 0.048 4.594 4.550 -0.007 0.000 0.333 18 Y C -1.625 174.264 175.900 -0.018 0.000 1.244 18 Y CA -1.113 56.995 58.100 0.014 0.000 1.558 18 Y CB 0.157 38.612 38.460 -0.008 0.000 1.233 18 Y HN 0.409 8.689 8.280 -0.000 0.000 0.547 19 P HA 0.186 4.606 4.420 -0.000 0.000 0.253 19 P C 0.286 177.254 177.300 -0.553 0.000 1.281 19 P CA 1.065 63.973 63.100 -0.321 0.000 0.792 19 P CB -0.224 31.347 31.700 -0.215 0.000 1.193 20 G N 1.276 109.263 108.800 -1.355 0.000 2.756 20 G HA2 -0.117 3.838 3.960 -0.008 0.000 0.678 20 G HA3 -0.117 3.838 3.960 -0.008 0.000 0.678 20 G C -3.166 171.022 174.900 -1.187 0.000 1.349 20 G CA -0.793 43.448 45.100 -1.431 0.000 0.847 20 G HN 0.111 8.401 8.290 -0.000 0.000 0.548 21 P HA 0.529 4.949 4.420 -0.000 0.000 0.278 21 P C 0.217 177.380 177.300 -0.228 0.000 1.258 21 P CA 0.419 63.268 63.100 -0.418 0.000 0.811 21 P CB 1.506 32.962 31.700 -0.408 0.000 1.063 22 T N -3.252 111.243 114.554 -0.099 0.000 2.864 22 T HA 0.351 4.696 4.350 -0.008 0.000 0.289 22 T C 1.196 175.906 174.700 0.017 0.000 1.082 22 T CA -0.825 61.277 62.100 0.003 0.000 1.009 22 T CB 1.367 70.231 68.868 -0.008 0.000 1.234 22 T HN 0.436 8.676 8.240 -0.000 0.000 0.526 23 K N 0.059 120.488 120.400 0.048 0.000 2.209 23 K HA -0.110 4.206 4.320 -0.008 0.000 0.204 23 K C 0.742 177.325 176.600 -0.028 0.000 1.048 23 K CA 1.498 57.802 56.287 0.029 0.000 0.940 23 K CB -0.295 32.235 32.500 0.050 0.000 0.729 23 K HN 0.449 8.699 8.250 -0.000 0.000 0.451 24 D N 1.174 121.562 120.400 -0.020 0.000 2.289 24 D HA -0.066 4.570 4.640 -0.008 0.000 0.207 24 D C -0.125 176.161 176.300 -0.023 0.000 0.966 24 D CA 1.028 55.010 54.000 -0.029 0.000 0.868 24 D CB 0.127 40.915 40.800 -0.019 0.000 0.943 24 D HN 0.342 8.712 8.370 -0.000 0.000 0.514 25 D N 0.381 120.770 120.400 -0.018 0.000 2.613 25 D HA 0.156 4.791 4.640 -0.008 0.000 0.312 25 D C -2.663 173.628 176.300 -0.016 0.000 1.202 25 D CA -1.874 52.122 54.000 -0.007 0.000 0.825 25 D CB 1.307 42.115 40.800 0.013 0.000 1.113 25 D HN -0.090 8.280 8.370 -0.000 0.000 0.502 26 P HA 0.403 4.823 4.420 -0.000 0.000 0.278 26 P C -1.038 176.252 177.300 -0.016 0.000 1.266 26 P CA -0.812 62.275 63.100 -0.021 0.000 0.807 26 P CB 1.773 33.475 31.700 0.004 0.000 1.094 27 L N 0.159 121.369 121.223 -0.021 0.000 2.409 27 L HA 0.505 4.841 4.340 -0.008 0.000 0.262 27 L C -0.620 176.273 176.870 0.039 0.000 0.992 27 L CA -0.178 54.663 54.840 0.003 0.000 0.817 27 L CB 2.144 44.176 42.059 -0.046 0.000 1.350 27 L HN 0.296 8.526 8.230 -0.000 0.000 0.411 28 T N 2.552 117.151 114.554 0.076 0.000 2.771 28 T HA 0.640 4.985 4.350 -0.008 0.000 0.281 28 T C -0.726 174.065 174.700 0.151 0.000 0.982 28 T CA -0.385 61.770 62.100 0.093 0.000 0.978 28 T CB 1.317 70.230 68.868 0.075 0.000 0.930 28 T HN 0.290 8.530 8.240 -0.000 0.000 0.447 29 V N 3.990 123.990 119.914 0.143 0.000 2.398 29 V HA 0.412 4.527 4.120 -0.008 0.000 0.286 29 V C 0.343 176.516 176.094 0.132 0.000 1.026 29 V CA -0.706 61.707 62.300 0.188 0.000 0.868 29 V CB 1.699 33.610 31.823 0.146 0.000 0.982 29 V HN 0.964 9.154 8.190 -0.000 0.000 0.443 30 T N 6.906 121.540 114.554 0.133 0.000 2.767 30 T HA 0.641 4.986 4.350 -0.008 0.000 0.284 30 T C -0.323 174.388 174.700 0.019 0.000 0.973 30 T CA -0.266 61.871 62.100 0.062 0.000 0.996 30 T CB 0.762 69.655 68.868 0.041 0.000 0.927 30 T HN 0.325 8.565 8.240 -0.000 0.000 0.456 31 L N 2.385 123.585 121.223 -0.039 0.000 2.346 31 L HA 0.860 5.195 4.340 -0.008 0.000 0.274 31 L C 0.506 177.252 176.870 -0.207 0.000 1.007 31 L CA -0.811 53.926 54.840 -0.171 0.000 0.818 31 L CB 2.049 43.990 42.059 -0.196 0.000 1.284 31 L HN 0.809 9.039 8.230 -0.000 0.000 0.424 32 G N 1.357 109.933 108.800 -0.373 0.000 2.718 32 G HA2 0.676 4.631 3.960 -0.008 0.000 0.295 32 G HA3 0.676 4.631 3.960 -0.008 0.000 0.295 32 G C -1.874 172.697 174.900 -0.548 0.000 1.421 32 G CA -0.343 44.581 45.100 -0.293 0.000 0.902 32 G HN 0.236 8.526 8.290 -0.000 0.000 0.501 33 F N 0.426 120.288 119.950 -0.146 0.000 2.482 33 F HA 0.519 5.042 4.527 -0.007 0.000 0.331 33 F C 0.471 176.229 175.800 -0.070 0.000 1.115 33 F CA -0.648 57.258 58.000 -0.157 0.000 0.955 33 F CB 3.005 41.818 39.000 -0.312 0.000 1.136 33 F HN 0.232 8.532 8.300 -0.000 0.000 0.452 34 T N 4.895 119.521 114.554 0.120 0.000 2.929 34 T HA 0.288 4.633 4.350 -0.008 0.000 0.331 34 T C -0.535 174.189 174.700 0.039 0.000 1.120 34 T CA -0.378 61.748 62.100 0.043 0.000 0.973 34 T CB 0.205 69.058 68.868 -0.024 0.000 1.036 34 T HN 0.300 8.540 8.240 -0.000 0.000 0.502 35 L N 3.781 125.063 121.223 0.098 0.000 2.361 35 L HA 0.255 4.591 4.340 -0.008 0.000 0.278 35 L C 1.203 178.178 176.870 0.176 0.000 1.113 35 L CA 0.675 55.614 54.840 0.166 0.000 0.849 35 L CB 0.603 42.760 42.059 0.163 0.000 1.155 35 L HN 0.603 8.833 8.230 -0.000 0.000 0.452 36 Q N 1.746 121.575 119.800 0.049 0.000 2.390 36 Q HA 0.156 4.491 4.340 -0.008 0.000 0.216 36 Q C -0.463 175.359 176.000 -0.297 0.000 0.916 36 Q CA 0.414 56.138 55.803 -0.131 0.000 0.911 36 Q CB 0.789 29.385 28.738 -0.237 0.000 1.035 36 Q HN 0.734 9.004 8.270 -0.000 0.000 0.541 37 D N -1.148 119.175 120.400 -0.129 0.000 2.706 37 D HA 0.284 4.919 4.640 -0.008 0.000 0.225 37 D C -1.613 174.757 176.300 0.117 0.000 1.241 37 D CA -0.425 53.466 54.000 -0.183 0.000 0.784 37 D CB 1.496 42.217 40.800 -0.132 0.000 1.521 37 D HN -0.045 8.325 8.370 -0.000 0.000 0.461 38 I N 3.491 124.191 120.570 0.218 0.000 2.297 38 I HA 0.181 4.347 4.170 -0.008 0.000 0.291 38 I C 1.254 177.487 176.117 0.193 0.000 1.033 38 I CA -0.534 60.830 61.300 0.107 0.000 1.253 38 I CB 1.574 39.500 38.000 -0.124 0.000 1.396 38 I HN 0.265 8.475 8.210 -0.000 0.000 0.476 39 V N 4.933 124.920 119.914 0.120 0.000 2.500 39 V HA 0.044 4.159 4.120 -0.008 0.000 0.243 39 V C 0.688 176.897 176.094 0.191 0.000 1.039 39 V CA 1.014 63.397 62.300 0.138 0.000 1.053 39 V CB -0.300 31.563 31.823 0.066 0.000 0.695 39 V HN 0.697 8.887 8.190 -0.000 0.000 0.463 40 K N -0.130 120.342 120.400 0.121 0.000 2.523 40 K HA 0.617 4.933 4.320 -0.008 0.000 0.257 40 K C -2.005 174.596 176.600 0.002 0.000 0.932 40 K CA -0.412 55.940 56.287 0.109 0.000 0.812 40 K CB 2.717 35.258 32.500 0.068 0.000 1.326 40 K HN -0.052 8.198 8.250 -0.000 0.000 0.433 41 V N 2.653 122.584 119.914 0.028 0.000 2.540 41 V HA 0.358 4.473 4.120 -0.008 0.000 0.302 41 V C -1.196 174.911 176.094 0.022 0.000 1.035 41 V CA -0.704 61.577 62.300 -0.031 0.000 0.873 41 V CB 1.795 33.578 31.823 -0.066 0.000 0.992 41 V HN 0.807 8.997 8.190 -0.000 0.000 0.428 42 D N 2.374 122.766 120.400 -0.013 0.000 2.440 42 D HA 0.227 4.862 4.640 -0.008 0.000 0.252 42 D C 1.053 177.344 176.300 -0.015 0.000 1.180 42 D CA -0.003 53.995 54.000 -0.002 0.000 0.894 42 D CB 2.006 42.799 40.800 -0.011 0.000 1.111 42 D HN 0.548 8.918 8.370 -0.000 0.000 0.544 43 S N 1.545 117.247 115.700 0.002 0.000 2.481 43 S HA -0.145 4.321 4.470 -0.008 0.000 0.231 43 S C 1.728 176.323 174.600 -0.008 0.000 0.996 43 S CA 1.111 59.308 58.200 -0.004 0.000 0.942 43 S CB -0.126 63.080 63.200 0.010 0.000 0.768 43 S HN 0.332 8.642 8.310 -0.000 0.000 0.520 44 S N 1.414 117.111 115.700 -0.004 0.000 2.489 44 S HA -0.021 4.445 4.470 -0.008 0.000 0.228 44 S C 1.637 176.230 174.600 -0.012 0.000 0.995 44 S CA 0.903 59.100 58.200 -0.005 0.000 0.934 44 S CB -0.742 62.458 63.200 -0.000 0.000 0.771 44 S HN 0.776 9.086 8.310 -0.000 0.000 0.522 45 T N -2.400 112.143 114.554 -0.019 0.000 3.043 45 T HA 0.299 4.644 4.350 -0.008 0.000 0.272 45 T C 0.090 174.765 174.700 -0.041 0.000 0.990 45 T CA -0.230 61.855 62.100 -0.025 0.000 0.897 45 T CB -0.402 68.453 68.868 -0.022 0.000 1.111 45 T HN 0.224 8.464 8.240 -0.000 0.000 0.529 46 N N 2.185 120.855 118.700 -0.051 0.000 2.714 46 N HA -0.133 4.602 4.740 -0.008 0.000 0.253 46 N C -0.947 174.485 175.510 -0.130 0.000 1.024 46 N CA 0.846 53.848 53.050 -0.080 0.000 0.726 46 N CB -1.324 37.125 38.487 -0.064 0.000 0.908 46 N HN 0.758 9.138 8.380 -0.000 0.000 0.542 47 E N -0.546 119.575 120.200 -0.133 0.000 2.187 47 E HA 0.624 4.969 4.350 -0.008 0.000 0.268 47 E C -0.420 176.053 176.600 -0.211 0.000 0.896 47 E CA -0.831 55.460 56.400 -0.182 0.000 0.766 47 E CB 2.140 31.785 29.700 -0.093 0.000 1.142 47 E HN -0.040 8.320 8.360 -0.000 0.000 0.408 48 V N 2.419 122.110 119.914 -0.371 0.000 2.769 48 V HA 0.307 4.423 4.120 -0.008 0.000 0.312 48 V C -0.942 175.117 176.094 -0.059 0.000 1.061 48 V CA -0.929 61.213 62.300 -0.264 0.000 0.931 48 V CB 2.160 33.772 31.823 -0.352 0.000 1.010 48 V HN 0.637 8.827 8.190 -0.000 0.000 0.433 49 D N 3.842 124.258 120.400 0.027 0.000 2.381 49 D HA 0.582 5.218 4.640 -0.008 0.000 0.235 49 D C -0.544 175.831 176.300 0.124 0.000 1.068 49 D CA -0.066 53.997 54.000 0.106 0.000 0.832 49 D CB 1.552 42.386 40.800 0.057 0.000 1.101 49 D HN 0.291 8.661 8.370 -0.000 0.000 0.515 50 L N 1.027 122.373 121.223 0.205 0.000 2.344 50 L HA 0.656 4.992 4.340 -0.008 0.000 0.272 50 L C -0.212 176.720 176.870 0.103 0.000 1.035 50 L CA -1.240 53.714 54.840 0.189 0.000 0.807 50 L CB 1.675 43.916 42.059 0.303 0.000 1.237 50 L HN -0.038 8.192 8.230 -0.000 0.000 0.442 51 V N 2.322 122.275 119.914 0.065 0.000 2.409 51 V HA 0.499 4.615 4.120 -0.008 0.000 0.291 51 V C -0.948 175.167 176.094 0.035 0.000 1.020 51 V CA -0.526 61.739 62.300 -0.058 0.000 0.848 51 V CB 1.237 33.025 31.823 -0.058 0.000 0.990 51 V HN 0.675 8.865 8.190 -0.000 0.000 0.430 52 Y N 3.225 123.571 120.300 0.077 0.000 2.625 52 Y HA 0.794 5.340 4.550 -0.008 0.000 0.338 52 Y C -1.730 174.310 175.900 0.233 0.000 1.123 52 Y CA -1.854 56.291 58.100 0.075 0.000 1.046 52 Y CB 1.208 39.754 38.460 0.144 0.000 1.299 52 Y HN 0.408 8.688 8.280 -0.000 0.000 0.464 53 Y N 0.971 121.398 120.300 0.211 0.000 2.328 53 Y HA 0.398 4.944 4.550 -0.007 0.000 0.337 53 Y C -0.003 175.950 175.900 0.088 0.000 1.008 53 Y CA -1.927 56.217 58.100 0.073 0.000 1.129 53 Y CB 1.539 39.994 38.460 -0.008 0.000 1.185 53 Y HN 0.748 9.028 8.280 -0.000 0.000 0.476 54 E N 3.894 124.171 120.200 0.129 0.000 2.035 54 E HA 0.192 4.537 4.350 -0.008 0.000 0.271 54 E C -0.905 175.522 176.600 -0.288 0.000 0.953 54 E CA -0.550 55.706 56.400 -0.240 0.000 0.777 54 E CB 0.534 30.125 29.700 -0.182 0.000 1.104 54 E HN 0.623 8.983 8.360 -0.000 0.000 0.408 55 Q N 3.394 123.015 119.800 -0.299 0.000 2.286 55 Q HA 0.091 4.427 4.340 -0.008 0.000 0.267 55 Q C -0.551 175.342 176.000 -0.179 0.000 1.028 55 Q CA 0.418 56.102 55.803 -0.199 0.000 0.901 55 Q CB 1.113 29.768 28.738 -0.139 0.000 1.183 55 Q HN 0.523 8.793 8.270 -0.000 0.000 0.392 56 Q N 2.334 122.106 119.800 -0.046 0.000 2.337 56 Q HA 0.620 4.955 4.340 -0.008 0.000 0.270 56 Q C -0.976 175.150 176.000 0.209 0.000 1.043 56 Q CA -0.797 55.092 55.803 0.144 0.000 0.794 56 Q CB 2.385 31.325 28.738 0.337 0.000 1.281 56 Q HN 0.296 8.566 8.270 -0.000 0.000 0.446 57 R N 2.272 122.920 120.500 0.246 0.000 2.564 57 R HA 0.609 4.944 4.340 -0.008 0.000 0.284 57 R C -2.196 174.297 176.300 0.321 0.000 1.031 57 R CA -0.437 55.729 56.100 0.109 0.000 0.904 57 R CB 0.972 31.265 30.300 -0.012 0.000 1.199 57 R HN 0.738 9.008 8.270 -0.000 0.000 0.443 58 W N 1.973 123.296 121.300 0.038 0.000 3.018 58 W HA 0.683 5.340 4.660 -0.006 0.000 0.382 58 W C -1.535 174.986 176.519 0.004 0.000 1.161 58 W CA -1.105 56.265 57.345 0.042 0.000 1.144 58 W CB 1.019 30.550 29.460 0.119 0.000 1.499 58 W HN 0.588 8.768 8.180 -0.000 0.000 0.596 59 K N 1.300 121.813 120.400 0.188 0.000 2.501 59 K HA 0.663 4.978 4.320 -0.008 0.000 0.252 59 K C -2.034 174.597 176.600 0.053 0.000 0.934 59 K CA -0.651 55.645 56.287 0.014 0.000 0.797 59 K CB 1.831 34.304 32.500 -0.045 0.000 1.270 59 K HN 0.759 9.009 8.250 -0.000 0.000 0.431 60 L N 3.751 124.961 121.223 -0.022 0.000 2.385 60 L HA 0.361 4.696 4.340 -0.008 0.000 0.273 60 L C 0.671 177.494 176.870 -0.078 0.000 0.990 60 L CA -1.114 53.661 54.840 -0.109 0.000 0.821 60 L CB 1.739 43.665 42.059 -0.222 0.000 1.279 60 L HN 0.700 8.930 8.230 -0.000 0.000 0.412 61 N N 0.692 119.347 118.700 -0.074 0.000 2.223 61 N HA -0.160 4.575 4.740 -0.008 0.000 0.185 61 N C 1.791 177.301 175.510 0.000 0.000 1.016 61 N CA 1.611 54.643 53.050 -0.030 0.000 0.863 61 N CB -0.060 38.417 38.487 -0.017 0.000 0.983 61 N HN 0.740 9.120 8.380 -0.000 0.000 0.429 62 S N -0.234 115.457 115.700 -0.016 0.000 2.547 62 S HA 0.010 4.476 4.470 -0.008 0.000 0.235 62 S C 1.456 176.112 174.600 0.092 0.000 0.980 62 S CA 0.523 58.748 58.200 0.042 0.000 0.941 62 S CB -0.273 62.957 63.200 0.049 0.000 0.763 62 S HN 0.274 8.584 8.310 -0.000 0.000 0.532 63 L N 0.168 121.448 121.223 0.096 0.000 2.808 63 L HA 0.418 4.753 4.340 -0.008 0.000 0.246 63 L C 0.373 177.410 176.870 0.277 0.000 1.153 63 L CA -0.234 54.723 54.840 0.194 0.000 0.956 63 L CB -0.085 42.081 42.059 0.180 0.000 1.270 63 L HN 0.257 8.487 8.230 -0.000 0.000 0.528 64 M N 0.414 120.106 119.600 0.154 0.000 2.242 64 M HA 0.217 4.693 4.480 -0.008 0.000 0.344 64 M C -0.631 175.851 176.300 0.303 0.000 1.140 64 M CA 0.267 55.621 55.300 0.089 0.000 1.160 64 M CB 0.593 33.197 32.600 0.006 0.000 1.491 64 M HN 0.139 8.429 8.290 -0.000 0.000 0.459 65 W N 0.497 121.829 121.300 0.054 0.000 3.075 65 W HA 0.542 5.198 4.660 -0.006 0.000 0.334 65 W C -1.691 174.898 176.519 0.116 0.000 1.243 65 W CA -1.028 56.353 57.345 0.060 0.000 1.170 65 W CB 0.517 29.930 29.460 -0.078 0.000 1.452 65 W HN 0.406 8.586 8.180 -0.000 0.000 0.572 66 D N 2.083 122.680 120.400 0.329 0.000 2.313 66 D HA 0.316 4.951 4.640 -0.008 0.000 0.239 66 D C -1.478 175.036 176.300 0.356 0.000 1.142 66 D CA -2.500 51.605 54.000 0.175 0.000 0.847 66 D CB 1.918 42.805 40.800 0.146 0.000 1.082 66 D HN 0.046 8.416 8.370 -0.000 0.000 0.480 67 P HA -0.120 4.300 4.420 -0.000 0.000 0.217 67 P C 1.131 178.557 177.300 0.210 0.000 1.148 67 P CA 0.843 64.087 63.100 0.239 0.000 0.828 67 P CB 0.238 31.888 31.700 -0.084 0.000 0.783 68 N N -0.290 118.469 118.700 0.098 0.000 2.289 68 N HA -0.157 4.579 4.740 -0.008 0.000 0.184 68 N C 1.265 176.786 175.510 0.020 0.000 1.016 68 N CA 0.973 54.051 53.050 0.047 0.000 0.872 68 N CB -0.112 38.381 38.487 0.010 0.000 0.973 68 N HN 0.369 8.749 8.380 -0.000 0.000 0.433 69 E N -0.786 119.433 120.200 0.031 0.000 2.481 69 E HA -0.064 4.282 4.350 -0.008 0.000 0.195 69 E C -0.251 176.035 176.600 -0.524 0.000 1.047 69 E CA 0.418 56.688 56.400 -0.216 0.000 0.867 69 E CB 0.254 29.809 29.700 -0.242 0.000 0.858 69 E HN 0.421 8.781 8.360 -0.000 0.000 0.513 70 Y N -0.331 119.995 120.300 0.043 0.000 2.614 70 Y HA 0.288 4.832 4.550 -0.010 0.000 0.296 70 Y C 0.772 176.679 175.900 0.012 0.000 0.942 70 Y CA -0.488 57.607 58.100 -0.007 0.000 1.111 70 Y CB 1.186 39.604 38.460 -0.070 0.000 1.182 70 Y HN 0.007 8.287 8.280 -0.000 0.000 0.624 71 G N 1.404 110.253 108.800 0.082 0.000 2.356 71 G HA2 -0.414 3.542 3.960 -0.008 0.000 0.296 71 G HA3 -0.414 3.542 3.960 -0.008 0.000 0.296 71 G C 0.305 175.256 174.900 0.085 0.000 1.022 71 G CA 0.676 45.812 45.100 0.060 0.000 0.961 71 G HN 0.859 9.149 8.290 -0.000 0.000 0.510 72 N N -2.084 116.680 118.700 0.105 0.000 2.710 72 N HA -0.209 4.526 4.740 -0.008 0.000 0.249 72 N C 0.484 176.083 175.510 0.149 0.000 1.059 72 N CA 0.817 53.928 53.050 0.103 0.000 0.720 72 N CB -0.906 37.610 38.487 0.049 0.000 0.983 72 N HN 0.734 9.114 8.380 -0.000 0.000 0.544 73 I N 0.794 121.503 120.570 0.231 0.000 2.517 73 I HA -0.027 4.138 4.170 -0.008 0.000 0.285 73 I C 1.828 178.242 176.117 0.496 0.000 1.106 73 I CA 0.421 61.902 61.300 0.301 0.000 1.402 73 I CB 0.706 38.838 38.000 0.220 0.000 1.399 73 I HN 0.292 8.502 8.210 -0.000 0.000 0.535 74 T N 0.460 115.247 114.554 0.389 0.000 3.014 74 T HA 0.152 4.497 4.350 -0.008 0.000 0.250 74 T C 0.109 175.092 174.700 0.471 0.000 1.060 74 T CA -0.176 62.148 62.100 0.374 0.000 1.040 74 T CB 0.051 69.052 68.868 0.222 0.000 0.971 74 T HN 0.727 8.967 8.240 -0.000 0.000 0.497 75 D N 0.350 121.067 120.400 0.528 0.000 2.685 75 D HA 0.418 5.053 4.640 -0.008 0.000 0.236 75 D C -1.177 175.373 176.300 0.417 0.000 1.233 75 D CA -0.815 53.432 54.000 0.412 0.000 0.760 75 D CB 1.384 42.275 40.800 0.152 0.000 1.410 75 D HN 0.351 8.721 8.370 -0.000 0.000 0.439 76 F N -1.519 118.529 119.950 0.163 0.000 2.711 76 F HA 0.767 5.292 4.527 -0.003 0.000 0.313 76 F C -1.539 174.293 175.800 0.054 0.000 1.141 76 F CA -1.184 56.851 58.000 0.058 0.000 0.941 76 F CB 1.352 40.331 39.000 -0.035 0.000 1.349 76 F HN 0.188 8.488 8.300 -0.000 0.000 0.464 77 R N 0.677 121.322 120.500 0.242 0.000 2.514 77 R HA 0.758 5.093 4.340 -0.008 0.000 0.301 77 R C -1.051 175.408 176.300 0.264 0.000 0.962 77 R CA -0.689 55.483 56.100 0.121 0.000 0.882 77 R CB 1.991 32.346 30.300 0.092 0.000 1.143 77 R HN 0.908 9.178 8.270 -0.000 0.000 0.452 78 T N 0.120 114.771 114.554 0.162 0.000 2.853 78 T HA 0.231 4.576 4.350 -0.008 0.000 0.311 78 T C -0.921 173.811 174.700 0.053 0.000 1.307 78 T CA -0.577 61.638 62.100 0.191 0.000 1.019 78 T CB 1.418 70.536 68.868 0.417 0.000 1.264 78 T HN 0.513 8.753 8.240 -0.000 0.000 0.497 79 S N 1.873 117.585 115.700 0.020 0.000 2.563 79 S HA 0.252 4.718 4.470 -0.008 0.000 0.294 79 S C 1.751 176.282 174.600 -0.115 0.000 1.279 79 S CA 0.359 58.537 58.200 -0.037 0.000 1.069 79 S CB 0.102 63.278 63.200 -0.040 0.000 0.828 79 S HN 0.962 9.272 8.310 -0.000 0.000 0.497 80 A N 4.847 127.566 122.820 -0.168 0.000 2.076 80 A HA 0.038 4.353 4.320 -0.008 0.000 0.220 80 A C 2.303 179.734 177.584 -0.255 0.000 1.160 80 A CA 1.831 53.660 52.037 -0.346 0.000 0.653 80 A CB -1.153 17.466 19.000 -0.633 0.000 0.801 80 A HN 1.327 9.477 8.150 -0.000 0.000 0.455 81 A N -0.378 122.337 122.820 -0.175 0.000 2.119 81 A HA -0.044 4.271 4.320 -0.008 0.000 0.217 81 A C 1.442 178.922 177.584 -0.173 0.000 1.153 81 A CA 1.370 53.320 52.037 -0.144 0.000 0.692 81 A CB -0.285 18.656 19.000 -0.098 0.000 0.799 81 A HN 0.442 8.592 8.150 -0.000 0.000 0.458 82 D N -0.096 120.149 120.400 -0.258 0.000 2.317 82 D HA 0.090 4.725 4.640 -0.008 0.000 0.211 82 D C 0.863 176.883 176.300 -0.467 0.000 0.966 82 D CA 0.751 54.460 54.000 -0.484 0.000 0.876 82 D CB -0.024 40.274 40.800 -0.837 0.000 0.927 82 D HN 0.731 9.101 8.370 -0.000 0.000 0.519 83 I N -4.258 116.181 120.570 -0.218 0.000 2.846 83 I HA 0.469 4.635 4.170 -0.008 0.000 0.307 83 I C -0.535 175.650 176.117 0.115 0.000 1.053 83 I CA -1.499 59.803 61.300 0.003 0.000 1.050 83 I CB 1.742 39.797 38.000 0.092 0.000 1.239 83 I HN -0.251 7.959 8.210 -0.000 0.000 0.439 84 W N 4.567 125.935 121.300 0.112 0.000 2.223 84 W HA 0.432 5.087 4.660 -0.009 0.000 0.334 84 W C -0.266 176.299 176.519 0.076 0.000 1.334 84 W CA 0.786 58.204 57.345 0.122 0.000 1.246 84 W CB 0.761 30.387 29.460 0.277 0.000 1.184 84 W HN 0.768 8.948 8.180 -0.000 0.000 0.563 85 T N 5.090 119.009 114.554 -1.058 0.000 2.900 85 T HA 0.555 4.901 4.350 -0.008 0.000 0.295 85 T C -2.614 170.951 174.700 -1.891 0.000 1.044 85 T CA -2.176 59.200 62.100 -1.207 0.000 0.995 85 T CB 1.774 70.299 68.868 -0.571 0.000 1.072 85 T HN 0.328 8.568 8.240 -0.000 0.000 0.473 86 P HA 0.229 4.649 4.420 -0.000 0.000 0.275 86 P C -0.374 176.712 177.300 -0.357 0.000 1.228 86 P CA -0.208 62.343 63.100 -0.915 0.000 0.786 86 P CB 0.595 31.965 31.700 -0.551 0.000 0.927 87 D N 2.372 122.728 120.400 -0.074 0.000 3.085 87 D HA 0.064 4.700 4.640 -0.008 0.000 0.243 87 D C 0.200 176.593 176.300 0.155 0.000 1.232 87 D CA -0.275 53.764 54.000 0.065 0.000 0.913 87 D CB -0.564 40.352 40.800 0.193 0.000 1.108 87 D HN 0.081 8.451 8.370 -0.000 0.000 0.468 88 I N 1.209 121.844 120.570 0.110 0.000 2.471 88 I HA 0.165 4.330 4.170 -0.008 0.000 0.286 88 I C 0.474 176.713 176.117 0.203 0.000 1.079 88 I CA 0.131 61.534 61.300 0.171 0.000 1.398 88 I CB 0.534 38.619 38.000 0.141 0.000 1.403 88 I HN 0.009 8.219 8.210 -0.000 0.000 0.530 89 T N 4.568 119.244 114.554 0.203 0.000 2.912 89 T HA 0.596 4.942 4.350 -0.008 0.000 0.299 89 T C -0.088 174.539 174.700 -0.120 0.000 1.052 89 T CA -0.657 61.524 62.100 0.135 0.000 0.996 89 T CB 2.012 71.019 68.868 0.231 0.000 1.070 89 T HN 0.675 8.915 8.240 -0.000 0.000 0.465 90 A N 1.472 124.139 122.820 -0.255 0.000 2.450 90 A HA 0.444 4.760 4.320 -0.008 0.000 0.255 90 A C 0.217 177.672 177.584 -0.215 0.000 1.096 90 A CA -0.112 51.506 52.037 -0.698 0.000 0.778 90 A CB -0.166 18.481 19.000 -0.589 0.000 1.031 90 A HN 0.893 9.043 8.150 -0.000 0.000 0.494 91 Y N 1.606 121.818 120.300 -0.147 0.000 2.519 91 Y HA 0.004 4.550 4.550 -0.007 0.000 0.287 91 Y C 1.921 177.850 175.900 0.048 0.000 1.128 91 Y CA 0.979 59.107 58.100 0.047 0.000 1.282 91 Y CB 0.007 38.486 38.460 0.033 0.000 1.027 91 Y HN 0.710 8.990 8.280 -0.000 0.000 0.551 92 S N -1.410 114.372 115.700 0.136 0.000 2.809 92 S HA 0.232 4.697 4.470 -0.008 0.000 0.248 92 S C 0.243 174.925 174.600 0.136 0.000 1.071 92 S CA -0.466 57.817 58.200 0.138 0.000 1.059 92 S CB -0.555 62.734 63.200 0.149 0.000 0.923 92 S HN 0.167 8.477 8.310 -0.000 0.000 0.516 93 S N 1.477 117.235 115.700 0.097 0.000 2.579 93 S HA 0.306 4.771 4.470 -0.008 0.000 0.275 93 S C 1.046 175.693 174.600 0.078 0.000 1.345 93 S CA 0.411 58.671 58.200 0.101 0.000 1.031 93 S CB 0.898 64.132 63.200 0.058 0.000 0.892 93 S HN 0.661 8.971 8.310 -0.000 0.000 0.529 94 T N -0.490 114.106 114.554 0.070 0.000 3.010 94 T HA 0.362 4.708 4.350 -0.008 0.000 0.257 94 T C 0.492 175.208 174.700 0.026 0.000 1.020 94 T CA -0.553 61.570 62.100 0.039 0.000 0.938 94 T CB -0.086 68.795 68.868 0.023 0.000 1.049 94 T HN 0.679 8.919 8.240 -0.000 0.000 0.522 95 R N 1.001 121.520 120.500 0.031 0.000 2.799 95 R HA 0.527 4.863 4.340 -0.008 0.000 0.270 95 R C -3.209 173.099 176.300 0.014 0.000 1.010 95 R CA -2.148 53.963 56.100 0.018 0.000 0.916 95 R CB 0.413 30.725 30.300 0.019 0.000 1.228 95 R HN 0.031 8.301 8.270 -0.000 0.000 0.469 96 P HA -0.006 4.414 4.420 -0.000 0.000 0.262 96 P C -0.225 177.081 177.300 0.009 0.000 1.182 96 P CA -0.114 62.982 63.100 -0.007 0.000 0.761 96 P CB 0.364 32.055 31.700 -0.014 0.000 0.795 97 V N 4.480 124.404 119.914 0.017 0.000 2.617 97 V HA -0.097 4.018 4.120 -0.008 0.000 0.304 97 V C 0.831 176.927 176.094 0.004 0.000 1.040 97 V CA 0.609 62.925 62.300 0.027 0.000 1.149 97 V CB -0.246 31.612 31.823 0.060 0.000 0.914 97 V HN 0.518 8.708 8.190 -0.000 0.000 0.487 98 Q N 3.225 123.019 119.800 -0.010 0.000 2.278 98 Q HA 0.469 4.804 4.340 -0.008 0.000 0.257 98 Q C -0.779 175.197 176.000 -0.040 0.000 0.928 98 Q CA -0.566 55.224 55.803 -0.022 0.000 0.932 98 Q CB 2.093 30.818 28.738 -0.023 0.000 1.221 98 Q HN 0.589 8.859 8.270 -0.000 0.000 0.434 99 V N 4.805 124.702 119.914 -0.030 0.000 2.432 99 V HA 0.132 4.248 4.120 -0.008 0.000 0.275 99 V C 0.616 176.683 176.094 -0.044 0.000 1.043 99 V CA 0.048 62.326 62.300 -0.036 0.000 0.925 99 V CB 1.064 32.882 31.823 -0.007 0.000 0.985 99 V HN 0.775 8.965 8.190 -0.000 0.000 0.466 100 L N 4.110 125.294 121.223 -0.064 0.000 2.766 100 L HA 0.295 4.631 4.340 -0.008 0.000 0.242 100 L C 0.655 177.483 176.870 -0.069 0.000 1.136 100 L CA 0.155 54.959 54.840 -0.059 0.000 0.933 100 L CB 0.508 42.534 42.059 -0.054 0.000 1.241 100 L HN 0.758 8.988 8.230 -0.000 0.000 0.522 101 S N -1.564 114.086 115.700 -0.084 0.000 2.627 101 S HA 0.694 5.159 4.470 -0.008 0.000 0.283 101 S C -2.886 171.683 174.600 -0.052 0.000 1.127 101 S CA -1.440 56.700 58.200 -0.101 0.000 0.863 101 S CB 1.623 64.707 63.200 -0.193 0.000 1.121 101 S HN -0.237 8.073 8.310 -0.000 0.000 0.479 102 P HA 0.166 4.587 4.420 -0.000 0.000 0.265 102 P C -0.788 176.554 177.300 0.070 0.000 1.193 102 P CA 0.023 63.128 63.100 0.009 0.000 0.765 102 P CB 0.190 31.891 31.700 0.001 0.000 0.823 103 Q N 3.074 122.941 119.800 0.111 0.000 2.844 103 Q HA 0.320 4.655 4.340 -0.008 0.000 0.235 103 Q C -0.172 175.936 176.000 0.181 0.000 1.336 103 Q CA 0.305 56.254 55.803 0.244 0.000 1.026 103 Q CB -0.161 28.674 28.738 0.161 0.000 1.513 103 Q HN 0.496 8.766 8.270 -0.000 0.000 0.577 104 I N 0.640 121.360 120.570 0.249 0.000 2.499 104 I HA 0.571 4.737 4.170 -0.008 0.000 0.288 104 I C -0.418 175.819 176.117 0.201 0.000 1.048 104 I CA -0.990 60.389 61.300 0.131 0.000 1.062 104 I CB 2.039 40.083 38.000 0.074 0.000 1.238 104 I HN 0.243 8.453 8.210 -0.000 0.000 0.426 105 A N 5.902 128.768 122.820 0.077 0.000 2.311 105 A HA 0.874 5.190 4.320 -0.008 0.000 0.334 105 A C -0.731 176.815 177.584 -0.063 0.000 1.139 105 A CA -0.553 51.513 52.037 0.049 0.000 0.830 105 A CB 1.556 20.499 19.000 -0.096 0.000 1.234 105 A HN 0.420 8.570 8.150 -0.000 0.000 0.483 106 V N 1.198 121.043 119.914 -0.116 0.000 2.435 106 V HA 0.491 4.606 4.120 -0.008 0.000 0.290 106 V C -0.426 175.491 176.094 -0.295 0.000 1.030 106 V CA -0.463 61.726 62.300 -0.185 0.000 0.881 106 V CB 1.284 33.035 31.823 -0.120 0.000 0.983 106 V HN 0.603 8.793 8.190 -0.000 0.000 0.445 107 V N 3.844 123.491 119.914 -0.445 0.000 2.448 107 V HA 0.645 4.760 4.120 -0.008 0.000 0.295 107 V C 0.318 176.308 176.094 -0.174 0.000 1.025 107 V CA -0.407 61.641 62.300 -0.419 0.000 0.859 107 V CB 1.923 33.332 31.823 -0.690 0.000 0.988 107 V HN 1.028 9.218 8.190 -0.000 0.000 0.431 108 T N -0.577 113.890 114.554 -0.145 0.000 2.940 108 T HA 0.425 4.771 4.350 -0.008 0.000 0.288 108 T C 1.019 175.354 174.700 -0.609 0.000 1.033 108 T CA -0.085 61.886 62.100 -0.215 0.000 1.033 108 T CB 1.326 70.015 68.868 -0.298 0.000 1.079 108 T HN 0.893 9.133 8.240 -0.000 0.000 0.496 109 H N 0.268 118.730 119.070 -1.014 0.000 2.489 109 H HA -0.007 4.545 4.556 -0.007 0.000 0.293 109 H C 1.279 176.065 175.328 -0.904 0.000 1.066 109 H CA 1.548 56.463 56.048 -1.889 0.000 1.305 109 H CB -0.392 28.390 29.762 -1.633 0.000 1.386 109 H HN 0.686 8.966 8.280 -0.000 0.000 0.551 110 D N 0.146 120.012 120.400 -0.891 0.000 2.352 110 D HA 0.045 4.680 4.640 -0.008 0.000 0.232 110 D C 1.627 177.750 176.300 -0.294 0.000 1.055 110 D CA 0.528 54.248 54.000 -0.466 0.000 0.891 110 D CB -0.668 39.874 40.800 -0.431 0.000 0.897 110 D HN 0.670 9.040 8.370 -0.000 0.000 0.529 111 G N -0.356 108.277 108.800 -0.278 0.000 2.143 111 G HA2 -0.273 3.683 3.960 -0.008 0.000 0.249 111 G HA3 -0.273 3.683 3.960 -0.008 0.000 0.249 111 G C 0.180 174.977 174.900 -0.171 0.000 0.981 111 G CA 0.258 45.279 45.100 -0.131 0.000 0.665 111 G HN 0.427 8.717 8.290 -0.000 0.000 0.528 112 S N -0.435 115.118 115.700 -0.243 0.000 2.548 112 S HA 0.571 5.036 4.470 -0.008 0.000 0.277 112 S C 0.372 174.759 174.600 -0.355 0.000 1.315 112 S CA -0.240 57.795 58.200 -0.274 0.000 1.050 112 S CB 2.244 65.294 63.200 -0.249 0.000 0.918 112 S HN 0.728 9.039 8.310 -0.000 0.000 0.497 113 V N 4.098 123.673 119.914 -0.564 0.000 2.555 113 V HA 0.594 4.710 4.120 -0.008 0.000 0.302 113 V C -0.373 175.255 176.094 -0.777 0.000 1.038 113 V CA -0.735 61.098 62.300 -0.778 0.000 0.887 113 V CB 1.554 32.611 31.823 -1.275 0.000 0.991 113 V HN 0.893 9.083 8.190 -0.000 0.000 0.434 114 M N 6.069 125.378 119.600 -0.486 0.000 2.204 114 M HA 0.722 5.198 4.480 -0.008 0.000 0.293 114 M C -2.102 174.144 176.300 -0.091 0.000 0.994 114 M CA -0.298 54.838 55.300 -0.273 0.000 0.925 114 M CB 1.664 34.157 32.600 -0.179 0.000 1.577 114 M HN 0.563 8.853 8.290 -0.000 0.000 0.439 115 F N 6.761 126.603 119.950 -0.179 0.000 2.539 115 F HA 0.711 5.233 4.527 -0.008 0.000 0.318 115 F C -1.782 173.999 175.800 -0.032 0.000 1.135 115 F CA -1.315 56.648 58.000 -0.062 0.000 0.915 115 F CB 1.425 40.478 39.000 0.089 0.000 1.176 115 F HN 0.563 8.863 8.300 -0.000 0.000 0.440 116 I N 8.114 128.392 120.570 -0.486 0.000 2.782 116 I HA 0.272 4.438 4.170 -0.008 0.000 0.279 116 I C -2.485 173.272 176.117 -0.599 0.000 1.247 116 I CA -1.637 59.388 61.300 -0.458 0.000 1.062 116 I CB 0.953 38.798 38.000 -0.259 0.000 1.421 116 I HN 0.309 8.519 8.210 -0.000 0.000 0.558 117 P HA 0.228 4.648 4.420 -0.000 0.000 0.276 117 P C -0.238 176.902 177.300 -0.268 0.000 1.235 117 P CA -0.102 62.683 63.100 -0.524 0.000 0.772 117 P CB 1.307 32.714 31.700 -0.488 0.000 0.871 118 A N 4.208 126.883 122.820 -0.242 0.000 2.366 118 A HA 0.388 4.703 4.320 -0.008 0.000 0.272 118 A C 0.004 177.507 177.584 -0.135 0.000 1.135 118 A CA -0.186 51.780 52.037 -0.119 0.000 0.804 118 A CB 0.160 19.076 19.000 -0.141 0.000 1.064 118 A HN 0.587 8.737 8.150 -0.000 0.000 0.499 119 Q N 0.700 120.358 119.800 -0.237 0.000 2.359 119 Q HA 0.420 4.756 4.340 -0.008 0.000 0.274 119 Q C -0.793 174.953 176.000 -0.423 0.000 1.074 119 Q CA -0.663 54.941 55.803 -0.331 0.000 0.810 119 Q CB 2.925 31.432 28.738 -0.386 0.000 1.342 119 Q HN 0.789 9.059 8.270 -0.000 0.000 0.427 120 R N 2.290 122.658 120.500 -0.221 0.000 2.255 120 R HA 0.447 4.782 4.340 -0.008 0.000 0.326 120 R C -1.495 174.770 176.300 -0.058 0.000 0.986 120 R CA -0.570 55.443 56.100 -0.146 0.000 0.847 120 R CB 0.602 30.863 30.300 -0.065 0.000 1.111 120 R HN 0.464 8.734 8.270 -0.000 0.000 0.452 121 L N 3.408 124.642 121.223 0.019 0.000 2.305 121 L HA 0.406 4.741 4.340 -0.008 0.000 0.284 121 L C -0.974 176.025 176.870 0.215 0.000 1.013 121 L CA 0.056 54.995 54.840 0.163 0.000 0.819 121 L CB 2.098 44.358 42.059 0.336 0.000 1.227 121 L HN 0.538 8.768 8.230 -0.000 0.000 0.417 122 S N 5.898 121.700 115.700 0.169 0.000 2.489 122 S HA 0.654 5.119 4.470 -0.008 0.000 0.277 122 S C -0.607 174.140 174.600 0.246 0.000 1.230 122 S CA -0.273 58.029 58.200 0.171 0.000 1.053 122 S CB 0.112 63.354 63.200 0.071 0.000 0.955 122 S HN 0.503 8.813 8.310 -0.000 0.000 0.488 123 F N 0.056 120.015 119.950 0.015 0.000 2.613 123 F HA 0.656 5.179 4.527 -0.007 0.000 0.314 123 F C -0.708 175.097 175.800 0.008 0.000 1.075 123 F CA -1.637 56.365 58.000 0.004 0.000 0.945 123 F CB 1.001 39.995 39.000 -0.011 0.000 1.310 123 F HN 0.264 8.564 8.300 -0.000 0.000 0.467 124 M N 3.587 123.159 119.600 -0.047 0.000 2.427 124 M HA 0.259 4.734 4.480 -0.008 0.000 0.345 124 M C -0.717 175.426 176.300 -0.261 0.000 1.653 124 M CA 0.316 55.541 55.300 -0.125 0.000 1.138 124 M CB 0.041 32.650 32.600 0.014 0.000 1.995 124 M HN 0.714 9.004 8.290 -0.000 0.000 0.459 125 c N 4.162 122.553 118.600 -0.349 0.000 2.832 125 c HA 0.281 4.846 4.570 -0.008 0.000 0.383 125 c C -0.977 173.017 174.090 -0.160 0.000 1.046 125 c CA -1.044 55.111 56.329 -0.290 0.000 1.242 125 c CB 1.241 43.388 42.510 -0.606 0.000 1.693 125 c HN 0.848 9.078 8.230 -0.000 0.000 0.497 126 D N 6.939 127.290 120.400 -0.082 0.000 2.344 126 D HA 0.303 4.939 4.640 -0.008 0.000 0.253 126 D C -1.245 175.016 176.300 -0.064 0.000 1.255 126 D CA -1.539 52.424 54.000 -0.061 0.000 0.894 126 D CB 1.511 42.285 40.800 -0.043 0.000 1.067 126 D HN 0.557 8.927 8.370 -0.000 0.000 0.492 127 P HA 0.035 4.455 4.420 -0.000 0.000 0.253 127 P C -0.047 177.200 177.300 -0.089 0.000 1.260 127 P CA -0.171 62.885 63.100 -0.073 0.000 0.800 127 P CB -0.078 31.608 31.700 -0.023 0.000 1.162 128 T N 0.982 115.496 114.554 -0.066 0.000 2.822 128 T HA 0.279 4.624 4.350 -0.008 0.000 0.288 128 T C 1.516 176.170 174.700 -0.077 0.000 0.991 128 T CA 1.573 63.640 62.100 -0.054 0.000 1.176 128 T CB -0.346 68.498 68.868 -0.040 0.000 0.951 128 T HN 0.398 8.638 8.240 -0.000 0.000 0.526 129 G N 2.315 111.077 108.800 -0.063 0.000 2.194 129 G HA2 -0.301 3.655 3.960 -0.008 0.000 0.236 129 G HA3 -0.301 3.655 3.960 -0.008 0.000 0.236 129 G C 1.124 175.967 174.900 -0.096 0.000 0.987 129 G CA 0.188 45.245 45.100 -0.072 0.000 0.635 129 G HN 0.709 8.999 8.290 -0.000 0.000 0.520 130 V N 2.230 122.070 119.914 -0.123 0.000 2.439 130 V HA -0.157 3.958 4.120 -0.008 0.000 0.253 130 V C 2.297 178.396 176.094 0.008 0.000 1.074 130 V CA 3.262 65.485 62.300 -0.129 0.000 1.076 130 V CB -0.252 31.537 31.823 -0.056 0.000 0.664 130 V HN 0.721 8.911 8.190 -0.000 0.000 0.461 131 D N -0.203 120.211 120.400 0.023 0.000 2.319 131 D HA 0.054 4.689 4.640 -0.008 0.000 0.230 131 D C 0.834 177.141 176.300 0.012 0.000 1.094 131 D CA 0.704 54.727 54.000 0.038 0.000 0.856 131 D CB -0.340 40.484 40.800 0.040 0.000 0.915 131 D HN 0.633 9.003 8.370 -0.000 0.000 0.517 132 S N -1.270 114.426 115.700 -0.007 0.000 2.747 132 S HA 0.314 4.779 4.470 -0.008 0.000 0.300 132 S C 0.985 175.579 174.600 -0.011 0.000 1.121 132 S CA -0.822 57.370 58.200 -0.012 0.000 0.995 132 S CB 2.216 65.402 63.200 -0.023 0.000 1.113 132 S HN -0.047 8.263 8.310 -0.000 0.000 0.547 133 E N 0.309 120.503 120.200 -0.010 0.000 2.110 133 E HA -0.167 4.179 4.350 -0.008 0.000 0.193 133 E C 1.448 178.039 176.600 -0.015 0.000 0.988 133 E CA 1.396 57.792 56.400 -0.007 0.000 0.804 133 E CB -0.083 29.613 29.700 -0.007 0.000 0.745 133 E HN 0.702 9.062 8.360 -0.000 0.000 0.458 134 E N -0.481 119.705 120.200 -0.025 0.000 2.152 134 E HA 0.029 4.375 4.350 -0.008 0.000 0.192 134 E C 1.030 177.596 176.600 -0.057 0.000 0.983 134 E CA 0.703 57.082 56.400 -0.035 0.000 0.818 134 E CB -0.201 29.477 29.700 -0.036 0.000 0.758 134 E HN 0.349 8.709 8.360 -0.000 0.000 0.467 135 G N -0.282 108.473 108.800 -0.075 0.000 2.562 135 G HA2 -0.265 3.690 3.960 -0.008 0.000 0.250 135 G HA3 -0.265 3.690 3.960 -0.008 0.000 0.250 135 G C -0.514 174.257 174.900 -0.214 0.000 1.269 135 G CA -0.217 44.796 45.100 -0.144 0.000 0.919 135 G HN 0.513 8.803 8.290 -0.000 0.000 0.574 136 V N -0.443 119.237 119.914 -0.390 0.000 2.971 136 V HA 0.781 4.897 4.120 -0.008 0.000 0.309 136 V C -0.000 175.871 176.094 -0.371 0.000 1.130 136 V CA 0.360 62.426 62.300 -0.390 0.000 0.964 136 V CB 2.269 33.802 31.823 -0.484 0.000 1.029 136 V HN 1.434 9.624 8.190 -0.000 0.000 0.427 137 T N 4.761 119.222 114.554 -0.156 0.000 2.794 137 T HA 0.590 4.936 4.350 -0.008 0.000 0.280 137 T C -0.576 174.165 174.700 0.068 0.000 0.987 137 T CA -0.195 61.897 62.100 -0.014 0.000 0.993 137 T CB 0.908 69.780 68.868 0.007 0.000 0.939 137 T HN 0.819 9.059 8.240 -0.000 0.000 0.449 138 c N 2.291 121.027 118.600 0.227 0.000 2.719 138 c HA 0.992 5.557 4.570 -0.008 0.000 0.327 138 c C 0.063 174.310 174.090 0.261 0.000 1.238 138 c CA -0.573 55.931 56.329 0.292 0.000 1.727 138 c CB 1.286 44.066 42.510 0.451 0.000 2.256 138 c HN 1.049 9.279 8.230 -0.000 0.000 0.489 139 A N 0.665 123.646 122.820 0.270 0.000 2.486 139 A HA 0.838 5.154 4.320 -0.008 0.000 0.300 139 A C -1.485 176.150 177.584 0.084 0.000 1.048 139 A CA -0.437 51.671 52.037 0.118 0.000 0.696 139 A CB 1.594 20.642 19.000 0.079 0.000 1.278 139 A HN 1.341 9.491 8.150 -0.000 0.000 0.405 140 V N 2.433 122.273 119.914 -0.124 0.000 2.668 140 V HA 0.514 4.629 4.120 -0.008 0.000 0.304 140 V C -0.922 175.041 176.094 -0.219 0.000 1.071 140 V CA -0.669 61.486 62.300 -0.241 0.000 0.894 140 V CB 1.762 33.209 31.823 -0.626 0.000 1.008 140 V HN 0.928 9.118 8.190 -0.000 0.000 0.425 141 K N 5.637 125.936 120.400 -0.169 0.000 2.144 141 K HA 0.634 4.949 4.320 -0.008 0.000 0.270 141 K C -1.416 174.862 176.600 -0.538 0.000 1.005 141 K CA -0.097 56.127 56.287 -0.104 0.000 0.932 141 K CB 1.386 33.982 32.500 0.159 0.000 1.021 141 K HN 0.568 8.818 8.250 -0.000 0.000 0.462 142 F N 0.104 119.862 119.950 -0.319 0.000 2.540 142 F HA 0.594 5.117 4.527 -0.007 0.000 0.317 142 F C 0.587 176.181 175.800 -0.343 0.000 1.104 142 F CA -0.417 57.352 58.000 -0.385 0.000 0.913 142 F CB 2.602 41.569 39.000 -0.055 0.000 1.170 142 F HN 0.665 8.965 8.300 -0.000 0.000 0.450 143 G N 0.421 109.070 108.800 -0.251 0.000 2.495 143 G HA2 0.381 4.337 3.960 -0.008 0.000 0.294 143 G HA3 0.381 4.337 3.960 -0.008 0.000 0.294 143 G C -1.597 173.457 174.900 0.258 0.000 1.397 143 G CA -0.860 44.306 45.100 0.110 0.000 0.790 143 G HN 0.597 8.887 8.290 -0.000 0.000 0.486 144 S N -0.859 115.050 115.700 0.348 0.000 2.573 144 S HA 0.144 4.610 4.470 -0.008 0.000 0.277 144 S C 0.870 175.757 174.600 0.478 0.000 1.346 144 S CA -0.074 58.363 58.200 0.396 0.000 1.034 144 S CB 0.345 63.787 63.200 0.403 0.000 0.879 144 S HN 0.553 8.863 8.310 -0.000 0.000 0.528 145 W N 3.619 125.063 121.300 0.239 0.000 2.576 145 W HA 0.065 4.721 4.660 -0.008 0.000 0.270 145 W C 1.154 177.725 176.519 0.086 0.000 1.255 145 W CA 1.197 58.647 57.345 0.175 0.000 1.314 145 W CB 0.201 29.733 29.460 0.118 0.000 1.101 145 W HN 0.695 8.875 8.180 -0.000 0.000 0.595 146 V N -3.793 116.178 119.914 0.094 0.000 3.426 146 V HA 0.290 4.406 4.120 -0.008 0.000 0.279 146 V C -0.672 175.325 176.094 -0.162 0.000 1.544 146 V CA -0.185 62.040 62.300 -0.125 0.000 1.017 146 V CB -0.706 30.971 31.823 -0.244 0.000 0.821 146 V HN -0.079 8.111 8.190 -0.000 0.000 0.432 147 Y N 2.455 122.845 120.300 0.151 0.000 2.341 147 Y HA 0.742 5.287 4.550 -0.007 0.000 0.337 147 Y C 1.022 176.989 175.900 0.112 0.000 1.014 147 Y CA -0.131 58.046 58.100 0.129 0.000 1.111 147 Y CB 1.812 40.353 38.460 0.136 0.000 1.194 147 Y HN 0.275 8.555 8.280 -0.000 0.000 0.462 148 S N 0.683 116.498 115.700 0.192 0.000 2.634 148 S HA 0.293 4.758 4.470 -0.008 0.000 0.261 148 S C 1.441 175.985 174.600 -0.093 0.000 1.271 148 S CA -0.190 57.931 58.200 -0.132 0.000 0.985 148 S CB 0.997 63.949 63.200 -0.413 0.000 0.968 148 S HN 0.936 9.246 8.310 -0.000 0.000 0.568 149 G N -0.378 108.241 108.800 -0.302 0.000 2.534 149 G HA2 0.001 3.956 3.960 -0.008 0.000 0.217 149 G HA3 0.001 3.956 3.960 -0.008 0.000 0.217 149 G C 0.653 175.570 174.900 0.029 0.000 1.128 149 G CA 0.073 45.084 45.100 -0.148 0.000 0.784 149 G HN 0.612 8.902 8.290 -0.000 0.000 0.542 150 F N 0.757 120.645 119.950 -0.103 0.000 2.748 150 F HA 0.211 4.734 4.527 -0.008 0.000 0.299 150 F C 2.208 177.996 175.800 -0.020 0.000 1.154 150 F CA 0.112 58.082 58.000 -0.050 0.000 1.446 150 F CB 0.119 39.092 39.000 -0.045 0.000 1.112 150 F HN 0.313 8.613 8.300 -0.000 0.000 0.584 151 E N -0.834 119.467 120.200 0.168 0.000 2.378 151 E HA 0.259 4.604 4.350 -0.008 0.000 0.200 151 E C 0.210 176.796 176.600 -0.024 0.000 0.882 151 E CA 0.209 56.659 56.400 0.084 0.000 1.061 151 E CB 0.798 30.617 29.700 0.200 0.000 1.049 151 E HN 0.052 8.412 8.360 -0.000 0.000 0.494 152 I N 2.364 122.947 120.570 0.022 0.000 2.382 152 I HA 0.212 4.377 4.170 -0.008 0.000 0.285 152 I C -0.899 175.256 176.117 0.064 0.000 1.007 152 I CA -0.772 60.541 61.300 0.022 0.000 1.142 152 I CB 1.332 39.361 38.000 0.048 0.000 1.289 152 I HN -0.006 8.204 8.210 -0.000 0.000 0.453 153 D N 7.080 127.516 120.400 0.060 0.000 2.255 153 D HA 0.460 5.096 4.640 -0.008 0.000 0.249 153 D C -0.771 175.572 176.300 0.072 0.000 1.078 153 D CA 0.088 54.125 54.000 0.062 0.000 0.896 153 D CB 1.149 41.987 40.800 0.063 0.000 1.194 153 D HN 0.302 8.672 8.370 -0.000 0.000 0.429 154 L N 3.114 124.379 121.223 0.071 0.000 2.334 154 L HA 0.528 4.864 4.340 -0.008 0.000 0.276 154 L C 0.254 177.161 176.870 0.062 0.000 1.014 154 L CA -0.787 54.099 54.840 0.076 0.000 0.815 154 L CB 1.651 43.765 42.059 0.091 0.000 1.268 154 L HN 0.282 8.512 8.230 -0.000 0.000 0.428 155 K N 0.842 121.276 120.400 0.056 0.000 2.477 155 K HA 0.646 4.961 4.320 -0.008 0.000 0.255 155 K C -1.037 175.583 176.600 0.033 0.000 0.952 155 K CA -0.514 55.799 56.287 0.044 0.000 0.826 155 K CB 2.522 35.047 32.500 0.042 0.000 1.331 155 K HN 0.705 8.955 8.250 -0.000 0.000 0.437 156 T N -1.428 113.143 114.554 0.028 0.000 2.908 156 T HA 0.328 4.674 4.350 -0.008 0.000 0.290 156 T C 0.052 174.760 174.700 0.012 0.000 1.034 156 T CA -0.760 61.349 62.100 0.016 0.000 1.010 156 T CB 1.448 70.332 68.868 0.026 0.000 1.068 156 T HN 0.428 8.668 8.240 -0.000 0.000 0.481 157 D N 0.403 120.805 120.400 0.002 0.000 2.305 157 D HA 0.148 4.783 4.640 -0.008 0.000 0.206 157 D C 0.674 176.977 176.300 0.005 0.000 0.974 157 D CA 0.908 54.909 54.000 0.002 0.000 0.871 157 D CB 0.640 41.437 40.800 -0.006 0.000 0.947 157 D HN 0.684 9.054 8.370 -0.000 0.000 0.516 158 T N -0.814 113.745 114.554 0.007 0.000 2.894 158 T HA 0.188 4.534 4.350 -0.008 0.000 0.309 158 T C -0.786 173.924 174.700 0.016 0.000 1.208 158 T CA -0.666 61.441 62.100 0.010 0.000 1.016 158 T CB 1.759 70.631 68.868 0.007 0.000 1.192 158 T HN -0.384 7.856 8.240 -0.000 0.000 0.491 159 D N 1.354 121.763 120.400 0.016 0.000 2.350 159 D HA 0.130 4.765 4.640 -0.008 0.000 0.213 159 D C 0.406 176.715 176.300 0.015 0.000 1.031 159 D CA 0.433 54.444 54.000 0.018 0.000 0.861 159 D CB 0.457 41.267 40.800 0.016 0.000 0.926 159 D HN 0.426 8.796 8.370 -0.000 0.000 0.520 160 Q N 0.904 120.712 119.800 0.012 0.000 2.274 160 Q HA 0.264 4.599 4.340 -0.008 0.000 0.256 160 Q C -0.739 175.270 176.000 0.015 0.000 0.927 160 Q CA -0.428 55.380 55.803 0.009 0.000 0.939 160 Q CB 1.297 30.038 28.738 0.006 0.000 1.201 160 Q HN -0.212 8.058 8.270 -0.000 0.000 0.426 161 V N 4.024 123.946 119.914 0.013 0.000 2.740 161 V HA 0.016 4.132 4.120 -0.008 0.000 0.303 161 V C 0.155 176.262 176.094 0.022 0.000 1.054 161 V CA -0.118 62.197 62.300 0.026 0.000 1.106 161 V CB 1.014 32.839 31.823 0.003 0.000 0.957 161 V HN 0.855 9.045 8.190 -0.000 0.000 0.486 162 D N 4.049 124.469 120.400 0.034 0.000 2.339 162 D HA 0.173 4.808 4.640 -0.008 0.000 0.256 162 D C 0.448 176.769 176.300 0.035 0.000 1.214 162 D CA 0.202 54.219 54.000 0.027 0.000 0.877 162 D CB 0.729 41.544 40.800 0.026 0.000 1.111 162 D HN 0.444 8.814 8.370 -0.000 0.000 0.478 163 L N 2.929 124.172 121.223 0.032 0.000 2.728 163 L HA 0.056 4.391 4.340 -0.008 0.000 0.238 163 L C 2.108 179.026 176.870 0.081 0.000 1.143 163 L CA -0.048 54.825 54.840 0.056 0.000 0.937 163 L CB -0.004 42.053 42.059 -0.003 0.000 1.225 163 L HN 0.384 8.614 8.230 -0.000 0.000 0.507 164 S N -0.543 115.188 115.700 0.051 0.000 2.419 164 S HA -0.127 4.338 4.470 -0.008 0.000 0.233 164 S C 1.510 176.143 174.600 0.055 0.000 1.016 164 S CA 1.119 59.347 58.200 0.048 0.000 0.974 164 S CB -0.250 62.969 63.200 0.033 0.000 0.786 164 S HN 0.453 8.763 8.310 -0.000 0.000 0.492 165 S N -0.540 115.186 115.700 0.044 0.000 2.624 165 S HA 0.332 4.798 4.470 -0.008 0.000 0.246 165 S C -0.286 174.341 174.600 0.045 0.000 1.072 165 S CA -0.882 57.336 58.200 0.030 0.000 1.045 165 S CB -0.797 62.392 63.200 -0.019 0.000 0.851 165 S HN 0.474 8.784 8.310 -0.000 0.000 0.480 166 Y N 2.968 123.268 120.300 -0.000 0.000 2.610 166 Y HA 0.209 4.755 4.550 -0.008 0.000 0.332 166 Y C 0.270 176.229 175.900 0.098 0.000 1.201 166 Y CA -0.731 57.391 58.100 0.035 0.000 1.465 166 Y CB 0.186 38.662 38.460 0.026 0.000 1.283 166 Y HN 0.458 8.739 8.280 -0.000 0.000 0.563 167 Y N 6.520 126.433 120.300 -0.645 0.000 2.713 167 Y HA 0.210 4.755 4.550 -0.007 0.000 0.341 167 Y C 0.923 176.732 175.900 -0.151 0.000 1.167 167 Y CA -0.593 57.289 58.100 -0.363 0.000 1.503 167 Y CB 0.354 38.571 38.460 -0.405 0.000 1.199 167 Y HN 0.778 9.058 8.280 -0.000 0.000 0.525 168 A N 3.649 126.340 122.820 -0.215 0.000 2.125 168 A HA -0.079 4.236 4.320 -0.008 0.000 0.219 168 A C 1.658 178.980 177.584 -0.437 0.000 1.156 168 A CA 1.592 53.505 52.037 -0.206 0.000 0.671 168 A CB -0.289 18.664 19.000 -0.078 0.000 0.794 168 A HN 0.628 8.778 8.150 -0.000 0.000 0.459 169 S N -0.363 114.692 115.700 -1.075 0.000 2.588 169 S HA 0.227 4.693 4.470 -0.008 0.000 0.245 169 S C 0.514 174.604 174.600 -0.849 0.000 1.021 169 S CA -0.047 57.650 58.200 -0.837 0.000 1.006 169 S CB -0.035 62.839 63.200 -0.544 0.000 0.830 169 S HN 0.503 8.813 8.310 -0.000 0.000 0.468 170 S N 1.806 117.041 115.700 -0.775 0.000 2.560 170 S HA 0.062 4.528 4.470 -0.008 0.000 0.276 170 S C 1.383 175.919 174.600 -0.107 0.000 1.350 170 S CA -0.075 58.028 58.200 -0.161 0.000 1.024 170 S CB 0.408 63.630 63.200 0.037 0.000 0.864 170 S HN 0.225 8.535 8.310 -0.000 0.000 0.536 171 K N 1.816 122.145 120.400 -0.120 0.000 2.288 171 K HA 0.003 4.318 4.320 -0.008 0.000 0.201 171 K C -0.381 175.843 176.600 -0.628 0.000 1.048 171 K CA 1.048 57.084 56.287 -0.419 0.000 0.956 171 K CB -0.205 31.920 32.500 -0.625 0.000 0.746 171 K HN 0.646 8.896 8.250 -0.000 0.000 0.461 172 Y N 0.783 121.180 120.300 0.161 0.000 2.341 172 Y HA 0.286 4.832 4.550 -0.008 0.000 0.338 172 Y C 0.205 176.242 175.900 0.228 0.000 0.965 172 Y CA -1.240 56.991 58.100 0.218 0.000 1.108 172 Y CB 1.374 39.992 38.460 0.263 0.000 1.180 172 Y HN -0.095 8.185 8.280 -0.000 0.000 0.458 173 E N 3.640 124.005 120.200 0.276 0.000 2.313 173 E HA 0.290 4.635 4.350 -0.008 0.000 0.276 173 E C -0.836 175.818 176.600 0.091 0.000 1.031 173 E CA -0.592 55.895 56.400 0.145 0.000 0.857 173 E CB 0.685 30.438 29.700 0.090 0.000 1.040 173 E HN 0.477 8.837 8.360 -0.000 0.000 0.408 174 I N 6.737 127.216 120.570 -0.151 0.000 2.352 174 I HA 0.007 4.173 4.170 -0.008 0.000 0.290 174 I C 1.085 177.161 176.117 -0.068 0.000 1.036 174 I CA 0.214 61.410 61.300 -0.172 0.000 1.336 174 I CB 0.698 38.411 38.000 -0.479 0.000 1.407 174 I HN 0.766 8.976 8.210 -0.000 0.000 0.497 175 L N 4.432 125.659 121.223 0.006 0.000 2.168 175 L HA 0.057 4.392 4.340 -0.008 0.000 0.203 175 L C 0.844 177.709 176.870 -0.008 0.000 1.078 175 L CA 0.666 55.508 54.840 0.004 0.000 0.780 175 L CB -0.162 41.909 42.059 0.020 0.000 0.939 175 L HN 0.766 8.996 8.230 -0.000 0.000 0.451 176 S N -1.035 114.666 115.700 0.001 0.000 2.579 176 S HA 0.814 5.279 4.470 -0.008 0.000 0.272 176 S C -0.961 173.634 174.600 -0.008 0.000 1.141 176 S CA -0.441 57.755 58.200 -0.007 0.000 0.843 176 S CB 2.720 65.921 63.200 0.001 0.000 1.122 176 S HN 0.108 8.418 8.310 -0.000 0.000 0.468 177 A N 1.398 124.205 122.820 -0.022 0.000 2.456 177 A HA 0.807 5.122 4.320 -0.008 0.000 0.288 177 A C -0.308 177.259 177.584 -0.027 0.000 1.042 177 A CA -0.287 51.731 52.037 -0.031 0.000 0.738 177 A CB 1.022 19.988 19.000 -0.055 0.000 1.266 177 A HN 1.753 9.903 8.150 -0.000 0.000 0.407 178 T N -0.195 114.341 114.554 -0.030 0.000 2.916 178 T HA 0.764 5.109 4.350 -0.008 0.000 0.292 178 T C -0.851 173.830 174.700 -0.032 0.000 1.055 178 T CA -0.621 61.468 62.100 -0.018 0.000 1.009 178 T CB 1.719 70.584 68.868 -0.005 0.000 1.118 178 T HN 1.031 9.271 8.240 -0.000 0.000 0.497 179 Q N 0.921 120.720 119.800 -0.002 0.000 2.414 179 Q HA 0.555 4.890 4.340 -0.008 0.000 0.256 179 Q C -1.507 174.515 176.000 0.037 0.000 0.974 179 Q CA -0.863 54.951 55.803 0.018 0.000 0.723 179 Q CB 1.435 30.228 28.738 0.092 0.000 1.281 179 Q HN 0.632 8.902 8.270 -0.000 0.000 0.470 180 T N 1.816 116.391 114.554 0.036 0.000 2.848 180 T HA 0.382 4.728 4.350 -0.008 0.000 0.285 180 T C -0.522 174.209 174.700 0.052 0.000 0.995 180 T CA -0.738 61.385 62.100 0.038 0.000 0.970 180 T CB 1.696 70.581 68.868 0.028 0.000 0.976 180 T HN 0.513 8.753 8.240 -0.000 0.000 0.441 181 R N 2.544 123.074 120.500 0.051 0.000 2.522 181 R HA 0.148 4.483 4.340 -0.008 0.000 0.284 181 R C -0.420 175.908 176.300 0.047 0.000 1.032 181 R CA 0.284 56.417 56.100 0.054 0.000 1.049 181 R CB 0.363 30.691 30.300 0.046 0.000 0.956 181 R HN 0.630 8.900 8.270 -0.000 0.000 0.422 182 Q N 2.661 122.493 119.800 0.053 0.000 2.365 182 Q HA 0.404 4.740 4.340 -0.008 0.000 0.269 182 Q C -1.314 174.701 176.000 0.024 0.000 1.061 182 Q CA -1.024 54.804 55.803 0.041 0.000 0.816 182 Q CB 3.014 31.784 28.738 0.052 0.000 1.325 182 Q HN 0.350 8.620 8.270 -0.000 0.000 0.446 183 V N 2.146 122.060 119.914 0.000 0.000 2.409 183 V HA 0.311 4.426 4.120 -0.008 0.000 0.291 183 V C -0.559 175.483 176.094 -0.086 0.000 1.020 183 V CA -0.754 61.513 62.300 -0.055 0.000 0.848 183 V CB 1.431 33.231 31.823 -0.038 0.000 0.990 183 V HN 0.682 8.872 8.190 -0.000 0.000 0.430 184 Q N 3.177 122.875 119.800 -0.170 0.000 2.274 184 Q HA 0.558 4.894 4.340 -0.008 0.000 0.260 184 Q C -1.188 174.540 176.000 -0.453 0.000 0.974 184 Q CA -0.210 55.441 55.803 -0.253 0.000 0.876 184 Q CB 1.501 30.074 28.738 -0.275 0.000 1.297 184 Q HN 0.828 9.098 8.270 -0.000 0.000 0.446 185 H N 1.472 120.346 119.070 -0.326 0.000 2.679 185 H HA 0.536 5.087 4.556 -0.007 0.000 0.367 185 H C -1.296 173.766 175.328 -0.443 0.000 1.162 185 H CA -0.396 55.473 56.048 -0.298 0.000 1.181 185 H CB 1.154 30.838 29.762 -0.130 0.000 1.693 185 H HN 0.566 8.846 8.280 -0.000 0.000 0.538 186 Y N -0.361 120.046 120.300 0.180 0.000 2.468 186 Y HA 0.183 4.728 4.550 -0.008 0.000 0.342 186 Y C 1.326 177.276 175.900 0.082 0.000 1.021 186 Y CA -0.875 57.272 58.100 0.078 0.000 1.079 186 Y CB 1.985 40.451 38.460 0.010 0.000 1.226 186 Y HN 0.669 8.949 8.280 -0.000 0.000 0.460 187 S N -0.136 115.685 115.700 0.201 0.000 2.383 187 S HA -0.250 4.216 4.470 -0.008 0.000 0.229 187 S C 2.036 176.700 174.600 0.106 0.000 1.030 187 S CA 1.596 59.864 58.200 0.113 0.000 1.002 187 S CB -0.787 62.459 63.200 0.076 0.000 0.829 187 S HN 0.942 9.252 8.310 -0.000 0.000 0.467 188 C N 0.734 120.103 119.300 0.115 0.000 2.411 188 C HA 0.089 4.544 4.460 -0.008 0.000 0.279 188 C C 1.162 176.217 174.990 0.109 0.000 1.288 188 C CA -1.278 57.794 59.018 0.089 0.000 1.764 188 C CB -1.881 25.898 27.740 0.065 0.000 1.974 188 C HN 0.526 8.756 8.230 -0.000 0.000 0.498 189 C N 0.825 120.221 119.300 0.159 0.000 2.482 189 C HA 0.496 4.951 4.460 -0.008 0.000 0.317 189 C C -1.146 173.944 174.990 0.166 0.000 1.197 189 C CA -0.575 58.549 59.018 0.176 0.000 1.432 189 C CB 1.439 29.335 27.740 0.261 0.000 2.062 189 C HN 0.290 8.520 8.230 -0.000 0.000 0.471 190 P HA -0.075 4.345 4.420 -0.000 0.000 0.219 190 P C 0.376 177.684 177.300 0.014 0.000 1.150 190 P CA 1.139 64.323 63.100 0.140 0.000 0.814 190 P CB 0.030 31.868 31.700 0.231 0.000 0.787 191 E N 1.697 121.763 120.200 -0.224 0.000 2.354 191 E HA 0.151 4.496 4.350 -0.008 0.000 0.269 191 E C -2.488 173.620 176.600 -0.820 0.000 1.036 191 E CA -2.283 53.544 56.400 -0.954 0.000 0.876 191 E CB 0.063 29.233 29.700 -0.885 0.000 1.009 191 E HN 0.139 8.499 8.360 -0.000 0.000 0.416 192 P HA 0.194 4.614 4.420 -0.000 0.000 0.281 192 P C -1.309 175.444 177.300 -0.913 0.000 1.249 192 P CA -0.405 62.119 63.100 -0.960 0.000 0.810 192 P CB 0.289 31.592 31.700 -0.660 0.000 1.008 193 Y N 0.959 121.012 120.300 -0.412 0.000 2.328 193 Y HA 0.476 5.021 4.550 -0.008 0.000 0.333 193 Y C 0.443 176.258 175.900 -0.141 0.000 0.958 193 Y CA -0.459 57.518 58.100 -0.205 0.000 1.167 193 Y CB 1.260 39.624 38.460 -0.159 0.000 1.151 193 Y HN 0.122 8.402 8.280 -0.000 0.000 0.470 194 I N 3.730 124.333 120.570 0.055 0.000 2.474 194 I HA 0.472 4.637 4.170 -0.008 0.000 0.294 194 I C -0.974 175.237 176.117 0.157 0.000 1.005 194 I CA -0.665 60.673 61.300 0.064 0.000 1.113 194 I CB 1.987 40.003 38.000 0.027 0.000 1.289 194 I HN 0.637 8.847 8.210 -0.000 0.000 0.436 195 D N 3.835 124.324 120.400 0.148 0.000 2.570 195 D HA 0.578 5.214 4.640 -0.008 0.000 0.244 195 D C -1.495 174.890 176.300 0.142 0.000 1.178 195 D CA -0.626 53.486 54.000 0.186 0.000 0.881 195 D CB 2.061 43.032 40.800 0.286 0.000 1.453 195 D HN 0.145 8.515 8.370 -0.000 0.000 0.447 196 V N 1.428 121.440 119.914 0.163 0.000 2.357 196 V HA 0.439 4.554 4.120 -0.008 0.000 0.284 196 V C -0.498 175.694 176.094 0.164 0.000 1.018 196 V CA -0.817 61.576 62.300 0.154 0.000 0.841 196 V CB 0.943 32.871 31.823 0.176 0.000 0.991 196 V HN 0.621 8.811 8.190 -0.000 0.000 0.437 197 N N 4.116 122.873 118.700 0.096 0.000 2.422 197 N HA 0.389 5.125 4.740 -0.008 0.000 0.266 197 N C -0.954 174.550 175.510 -0.009 0.000 1.007 197 N CA -0.393 52.692 53.050 0.057 0.000 0.941 197 N CB 1.411 39.927 38.487 0.048 0.000 1.115 197 N HN 0.606 8.986 8.380 -0.000 0.000 0.492 198 L N 5.031 126.209 121.223 -0.075 0.000 2.257 198 L HA 0.526 4.862 4.340 -0.008 0.000 0.290 198 L C -1.289 175.494 176.870 -0.145 0.000 1.044 198 L CA -0.477 54.231 54.840 -0.220 0.000 0.810 198 L CB 0.925 42.670 42.059 -0.524 0.000 1.193 198 L HN 0.269 8.499 8.230 -0.000 0.000 0.425 199 V N 6.144 126.006 119.914 -0.086 0.000 2.378 199 V HA 0.542 4.658 4.120 -0.008 0.000 0.288 199 V C -0.499 175.594 176.094 -0.001 0.000 1.016 199 V CA -0.596 61.694 62.300 -0.017 0.000 0.840 199 V CB 1.745 33.571 31.823 0.005 0.000 0.994 199 V HN 0.506 8.696 8.190 -0.000 0.000 0.431 200 V N 4.902 124.855 119.914 0.064 0.000 2.483 200 V HA 0.488 4.604 4.120 -0.008 0.000 0.297 200 V C -0.180 176.065 176.094 0.252 0.000 1.027 200 V CA -0.922 61.448 62.300 0.116 0.000 0.855 200 V CB 1.919 33.789 31.823 0.078 0.000 0.995 200 V HN 0.829 9.019 8.190 -0.000 0.000 0.424 201 K N 5.208 125.720 120.400 0.186 0.000 2.235 201 K HA 0.757 5.072 4.320 -0.008 0.000 0.266 201 K C -1.256 175.485 176.600 0.234 0.000 0.980 201 K CA -0.420 55.953 56.287 0.144 0.000 0.849 201 K CB 1.197 33.720 32.500 0.037 0.000 1.098 201 K HN 0.634 8.884 8.250 -0.000 0.000 0.445 202 F N 1.087 121.039 119.950 0.005 0.000 2.662 202 F HA 0.629 5.152 4.527 -0.007 0.000 0.312 202 F C -1.242 174.596 175.800 0.063 0.000 1.113 202 F CA -1.258 56.758 58.000 0.026 0.000 0.951 202 F CB 1.111 40.134 39.000 0.038 0.000 1.344 202 F HN 0.509 8.809 8.300 -0.000 0.000 0.462 203 R N -0.088 120.558 120.500 0.243 0.000 2.764 203 R HA 0.496 4.832 4.340 -0.008 0.000 0.270 203 R C -1.593 174.922 176.300 0.359 0.000 1.014 203 R CA -1.062 55.141 56.100 0.170 0.000 0.904 203 R CB 1.696 32.029 30.300 0.056 0.000 1.236 203 R HN 0.750 9.020 8.270 -0.000 0.000 0.466 204 E N 1.845 122.221 120.200 0.293 0.000 2.465 204 E HA 0.014 4.360 4.350 -0.008 0.000 0.260 204 E C -0.142 176.485 176.600 0.046 0.000 0.980 204 E CA 0.163 56.645 56.400 0.137 0.000 0.927 204 E CB 0.726 30.472 29.700 0.076 0.000 0.934 204 E HN 0.242 8.602 8.360 -0.000 0.000 0.459 205 R N 0.000 120.484 120.500 -0.026 0.000 2.786 205 R HA 0.000 4.335 4.340 -0.008 0.000 0.208 205 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 205 R CB 0.000 30.269 30.300 -0.051 0.000 0.687 205 R HN 0.000 8.270 8.270 -0.000 0.000 0.535