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 3lai_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKGTIVGTWI KTLRDLYGND VVDESLKSVG WEPDRVITPL EDIDDDEVRR DATA SEQUENCE IFAKVSEKTG KNVNEIWREV GRQNIKTFSE WFPSYFAGRR LVNFLMMMDE DATA SEQUENCE VGLQLTKMIK GATPPRLIAK PVAKDAIEME YVSKRKMYDY FLGLIEGSSK DATA SEQUENCE FFKEEISVEE VERGEKDGFS RLKVRIKFKN PVFEYKKN 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 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 K N 0.287 120.678 120.400 -0.014 0.000 2.202 2 K HA 0.471 4.789 4.320 -0.003 0.000 0.264 2 K C 1.022 177.611 176.600 -0.018 0.000 1.010 2 K CA 0.497 56.779 56.287 -0.008 0.000 0.940 2 K CB 0.352 32.850 32.500 -0.002 0.000 0.983 2 K HN 0.901 9.151 8.250 -0.000 0.000 0.475 3 G N 1.021 109.828 108.800 0.011 0.000 2.422 3 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.218 3 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.218 3 G C 1.373 176.313 174.900 0.067 0.000 1.146 3 G CA 1.086 46.205 45.100 0.031 0.000 0.769 3 G HN 0.576 8.866 8.290 -0.000 0.000 0.547 4 T N 0.988 115.602 114.554 0.100 0.000 2.597 4 T HA -0.215 4.133 4.350 -0.003 0.000 0.267 4 T C 2.233 177.021 174.700 0.147 0.000 1.053 4 T CA 1.382 63.608 62.100 0.210 0.000 1.165 4 T CB -0.228 68.777 68.868 0.227 0.000 0.863 4 T HN 0.274 8.514 8.240 -0.000 0.000 0.427 5 I N 0.839 121.382 120.570 -0.044 0.000 2.315 5 I HA -0.140 4.028 4.170 -0.003 0.000 0.248 5 I C 2.176 177.882 176.117 -0.685 0.000 1.117 5 I CA 1.036 62.142 61.300 -0.323 0.000 1.404 5 I CB -0.055 37.654 38.000 -0.484 0.000 1.071 5 I HN 0.064 8.274 8.210 -0.000 0.000 0.419 6 V N 1.353 120.984 119.914 -0.471 0.000 2.490 6 V HA -0.218 3.901 4.120 -0.003 0.000 0.250 6 V C 2.591 178.747 176.094 0.102 0.000 1.061 6 V CA 1.869 64.070 62.300 -0.165 0.000 1.064 6 V CB -1.662 30.221 31.823 0.100 0.000 0.670 6 V HN 0.646 8.836 8.190 -0.000 0.000 0.461 7 G N 0.678 109.555 108.800 0.128 0.000 2.446 7 G HA2 -0.324 3.635 3.960 -0.003 0.000 0.217 7 G HA3 -0.324 3.635 3.960 -0.003 0.000 0.217 7 G C 1.813 176.789 174.900 0.126 0.000 1.168 7 G CA 1.806 47.072 45.100 0.277 0.000 0.771 7 G HN 0.579 8.869 8.290 -0.000 0.000 0.551 8 T N -2.651 111.813 114.554 -0.150 0.000 2.833 8 T HA -0.151 4.198 4.350 -0.003 0.000 0.269 8 T C 2.021 176.772 174.700 0.085 0.000 1.054 8 T CA 1.309 63.203 62.100 -0.342 0.000 1.135 8 T CB -0.334 68.374 68.868 -0.266 0.000 0.869 8 T HN 0.343 8.583 8.240 -0.000 0.000 0.466 9 W N 1.394 122.756 121.300 0.103 0.000 2.388 9 W HA 0.198 4.856 4.660 -0.003 0.000 0.294 9 W C 2.200 178.768 176.519 0.080 0.000 1.212 9 W CA -0.688 56.743 57.345 0.143 0.000 1.271 9 W CB -0.942 28.670 29.460 0.254 0.000 1.126 9 W HN 0.244 8.424 8.180 -0.000 0.000 0.535 10 I N 0.550 121.319 120.570 0.331 0.000 2.202 10 I HA -0.251 3.917 4.170 -0.003 0.000 0.242 10 I C 2.270 178.477 176.117 0.150 0.000 1.091 10 I CA 1.326 62.756 61.300 0.216 0.000 1.368 10 I CB -1.686 36.466 38.000 0.254 0.000 1.058 10 I HN 0.027 8.237 8.210 -0.000 0.000 0.410 11 K N 0.945 121.436 120.400 0.151 0.000 1.978 11 K HA -0.202 4.116 4.320 -0.003 0.000 0.214 11 K C 2.132 178.773 176.600 0.068 0.000 1.049 11 K CA 2.530 58.885 56.287 0.114 0.000 0.939 11 K CB -0.187 32.368 32.500 0.091 0.000 0.721 11 K HN 0.207 8.457 8.250 -0.000 0.000 0.441 12 T N 2.292 116.885 114.554 0.066 0.000 2.653 12 T HA -0.200 4.149 4.350 -0.003 0.000 0.268 12 T C 1.839 176.552 174.700 0.022 0.000 1.035 12 T CA 1.714 63.847 62.100 0.056 0.000 1.154 12 T CB -0.270 68.680 68.868 0.136 0.000 0.862 12 T HN 0.185 8.425 8.240 -0.000 0.000 0.441 13 L N 0.204 121.453 121.223 0.043 0.000 1.990 13 L HA -0.182 4.156 4.340 -0.003 0.000 0.213 13 L C 2.962 179.867 176.870 0.057 0.000 1.072 13 L CA 1.672 56.541 54.840 0.048 0.000 0.755 13 L CB -0.474 41.531 42.059 -0.090 0.000 0.889 13 L HN 0.211 8.441 8.230 -0.000 0.000 0.432 14 R N -0.322 120.197 120.500 0.032 0.000 2.081 14 R HA -0.164 4.174 4.340 -0.003 0.000 0.235 14 R C 1.949 178.239 176.300 -0.017 0.000 1.131 14 R CA 1.551 57.665 56.100 0.023 0.000 0.960 14 R CB -0.362 29.962 30.300 0.039 0.000 0.856 14 R HN 0.377 8.647 8.270 -0.000 0.000 0.436 15 D N 0.640 121.020 120.400 -0.033 0.000 2.117 15 D HA -0.131 4.508 4.640 -0.003 0.000 0.197 15 D C 1.958 178.164 176.300 -0.156 0.000 0.987 15 D CA 1.107 55.068 54.000 -0.065 0.000 0.829 15 D CB -0.091 40.681 40.800 -0.046 0.000 0.961 15 D HN 0.187 8.557 8.370 -0.000 0.000 0.460 16 L N -1.117 119.935 121.223 -0.286 0.000 2.072 16 L HA -0.122 4.216 4.340 -0.003 0.000 0.205 16 L C 1.638 178.095 176.870 -0.690 0.000 1.079 16 L CA 1.058 55.518 54.840 -0.632 0.000 0.752 16 L CB -0.211 41.166 42.059 -1.135 0.000 0.906 16 L HN 0.103 8.333 8.230 -0.000 0.000 0.436 17 Y N -1.013 119.242 120.300 -0.076 0.000 2.453 17 Y HA 0.452 5.000 4.550 -0.003 0.000 0.247 17 Y C 1.107 176.965 175.900 -0.069 0.000 1.124 17 Y CA 0.027 58.076 58.100 -0.086 0.000 1.243 17 Y CB 0.808 39.190 38.460 -0.131 0.000 1.213 17 Y HN 0.123 8.403 8.280 -0.000 0.000 0.523 18 G N 0.988 109.813 108.800 0.043 0.000 2.690 18 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.686 18 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.686 18 G C -0.248 174.665 174.900 0.022 0.000 1.277 18 G CA -0.177 44.937 45.100 0.022 0.000 0.799 18 G HN 0.366 8.656 8.290 -0.000 0.000 0.613 19 N N -0.104 118.604 118.700 0.013 0.000 2.188 19 N HA -0.040 4.698 4.740 -0.003 0.000 0.184 19 N C 1.616 177.128 175.510 0.003 0.000 1.018 19 N CA 1.422 54.479 53.050 0.012 0.000 0.858 19 N CB -0.023 38.472 38.487 0.014 0.000 0.989 19 N HN 0.596 8.976 8.380 -0.000 0.000 0.426 20 D N 0.218 120.617 120.400 -0.000 0.000 2.092 20 D HA -0.121 4.517 4.640 -0.003 0.000 0.193 20 D C 2.002 178.288 176.300 -0.023 0.000 0.994 20 D CA 0.841 54.836 54.000 -0.009 0.000 0.828 20 D CB -0.317 40.479 40.800 -0.008 0.000 0.963 20 D HN -0.022 8.348 8.370 -0.000 0.000 0.450 21 V N 0.294 120.192 119.914 -0.026 0.000 2.255 21 V HA -0.241 3.878 4.120 -0.003 0.000 0.247 21 V C 2.508 178.552 176.094 -0.083 0.000 1.051 21 V CA 1.301 63.565 62.300 -0.059 0.000 1.018 21 V CB -0.678 31.111 31.823 -0.058 0.000 0.641 21 V HN 0.100 8.290 8.190 -0.000 0.000 0.445 22 V N 0.201 120.079 119.914 -0.061 0.000 2.295 22 V HA -0.248 3.871 4.120 -0.003 0.000 0.246 22 V C 2.320 178.380 176.094 -0.057 0.000 1.049 22 V CA 2.210 64.465 62.300 -0.075 0.000 1.024 22 V CB -0.803 31.000 31.823 -0.033 0.000 0.648 22 V HN 0.518 8.708 8.190 -0.000 0.000 0.447 23 D N -0.062 120.323 120.400 -0.024 0.000 2.104 23 D HA -0.165 4.473 4.640 -0.003 0.000 0.194 23 D C 2.271 178.556 176.300 -0.025 0.000 0.994 23 D CA 1.236 55.231 54.000 -0.007 0.000 0.830 23 D CB -0.272 40.531 40.800 0.005 0.000 0.959 23 D HN 0.488 8.858 8.370 -0.000 0.000 0.452 24 E N 0.320 120.496 120.200 -0.041 0.000 2.118 24 E HA -0.121 4.227 4.350 -0.003 0.000 0.195 24 E C 2.133 178.687 176.600 -0.076 0.000 0.992 24 E CA 0.788 57.158 56.400 -0.050 0.000 0.804 24 E CB -0.053 29.613 29.700 -0.057 0.000 0.741 24 E HN 0.137 8.497 8.360 -0.000 0.000 0.458 25 S N 0.767 116.402 115.700 -0.109 0.000 2.348 25 S HA -0.003 4.465 4.470 -0.003 0.000 0.219 25 S C 2.050 176.533 174.600 -0.195 0.000 1.033 25 S CA 0.370 58.474 58.200 -0.161 0.000 0.974 25 S CB -0.069 63.003 63.200 -0.213 0.000 0.868 25 S HN 0.191 8.501 8.310 -0.000 0.000 0.459 26 L N 0.941 122.065 121.223 -0.165 0.000 2.127 26 L HA -0.130 4.209 4.340 -0.003 0.000 0.211 26 L C 2.356 179.171 176.870 -0.092 0.000 1.089 26 L CA 1.321 56.054 54.840 -0.177 0.000 0.757 26 L CB -0.474 41.603 42.059 0.030 0.000 0.899 26 L HN 0.259 8.489 8.230 -0.000 0.000 0.434 27 K N 0.087 120.462 120.400 -0.042 0.000 2.062 27 K HA -0.110 4.208 4.320 -0.003 0.000 0.205 27 K C 2.240 178.828 176.600 -0.019 0.000 1.051 27 K CA 1.321 57.611 56.287 0.004 0.000 0.941 27 K CB -0.083 32.419 32.500 0.002 0.000 0.719 27 K HN 0.243 8.493 8.250 -0.000 0.000 0.440 28 S N -0.137 115.525 115.700 -0.064 0.000 2.507 28 S HA -0.082 4.386 4.470 -0.003 0.000 0.235 28 S C 1.472 176.033 174.600 -0.065 0.000 0.988 28 S CA 1.001 59.165 58.200 -0.060 0.000 0.944 28 S CB -0.213 62.941 63.200 -0.077 0.000 0.762 28 S HN 0.143 8.453 8.310 -0.000 0.000 0.526 29 V N -3.259 116.588 119.914 -0.110 0.000 3.276 29 V HA 0.710 4.828 4.120 -0.003 0.000 0.319 29 V C 1.058 177.191 176.094 0.065 0.000 1.427 29 V CA 0.031 62.273 62.300 -0.096 0.000 1.102 29 V CB -0.675 30.976 31.823 -0.287 0.000 1.020 29 V HN 0.757 8.947 8.190 -0.000 0.000 0.456 30 G N -0.337 108.527 108.800 0.107 0.000 2.182 30 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.248 30 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.248 30 G C -0.507 174.627 174.900 0.390 0.000 1.042 30 G CA 0.232 45.456 45.100 0.207 0.000 0.775 30 G HN 0.579 8.869 8.290 -0.000 0.000 0.501 31 W N -0.384 120.933 121.300 0.028 0.000 2.509 31 W HA 0.709 5.367 4.660 -0.003 0.000 0.351 31 W C 0.336 176.871 176.519 0.028 0.000 1.107 31 W CA -1.904 55.461 57.345 0.033 0.000 1.264 31 W CB 0.840 30.326 29.460 0.044 0.000 1.312 31 W HN 0.025 8.205 8.180 -0.000 0.000 0.608 32 E N 4.288 124.621 120.200 0.223 0.000 2.159 32 E HA 0.042 4.390 4.350 -0.003 0.000 0.272 32 E C -1.120 175.577 176.600 0.161 0.000 1.138 32 E CA -2.107 54.375 56.400 0.138 0.000 0.915 32 E CB 0.475 30.217 29.700 0.069 0.000 1.028 32 E HN 0.018 8.378 8.360 -0.000 0.000 0.423 33 P HA -0.197 4.223 4.420 -0.000 0.000 0.219 33 P C 0.063 177.431 177.300 0.112 0.000 1.145 33 P CA 1.917 65.087 63.100 0.118 0.000 0.813 33 P CB 0.173 31.918 31.700 0.074 0.000 0.771 34 D N -0.849 119.609 120.400 0.096 0.000 2.804 34 D HA 0.160 4.799 4.640 -0.003 0.000 0.308 34 D C 0.488 176.833 176.300 0.074 0.000 1.371 34 D CA -0.683 53.367 54.000 0.084 0.000 0.823 34 D CB -0.487 40.348 40.800 0.058 0.000 1.126 34 D HN 0.160 8.530 8.370 -0.000 0.000 0.467 35 R N 0.553 121.107 120.500 0.091 0.000 2.538 35 R HA 0.260 4.599 4.340 -0.003 0.000 0.282 35 R C -0.355 175.969 176.300 0.040 0.000 1.009 35 R CA 0.070 56.197 56.100 0.045 0.000 1.063 35 R CB 0.472 30.783 30.300 0.018 0.000 0.945 35 R HN 0.091 8.361 8.270 -0.000 0.000 0.414 36 V N 6.804 126.723 119.914 0.008 0.000 2.509 36 V HA 0.302 4.420 4.120 -0.003 0.000 0.284 36 V C 0.584 176.671 176.094 -0.012 0.000 1.047 36 V CA -0.529 61.778 62.300 0.011 0.000 0.952 36 V CB 1.179 32.999 31.823 -0.005 0.000 0.988 36 V HN 0.651 8.841 8.190 -0.000 0.000 0.469 37 I N 3.635 124.215 120.570 0.017 0.000 2.404 37 I HA 0.439 4.607 4.170 -0.003 0.000 0.293 37 I C 0.515 176.643 176.117 0.019 0.000 0.992 37 I CA -0.365 60.934 61.300 -0.001 0.000 1.149 37 I CB 2.047 40.066 38.000 0.031 0.000 1.315 37 I HN 0.732 8.942 8.210 -0.000 0.000 0.446 38 T N 2.626 117.180 114.554 -0.001 0.000 2.909 38 T HA 0.364 4.713 4.350 -0.003 0.000 0.286 38 T C -1.959 172.761 174.700 0.033 0.000 1.002 38 T CA -1.827 60.279 62.100 0.011 0.000 1.074 38 T CB 1.894 70.760 68.868 -0.004 0.000 0.984 38 T HN 0.255 8.495 8.240 -0.000 0.000 0.495 39 P HA -0.110 4.310 4.420 -0.000 0.000 0.211 39 P C 1.386 178.712 177.300 0.043 0.000 1.181 39 P CA 0.956 64.100 63.100 0.073 0.000 0.929 39 P CB -0.069 31.681 31.700 0.082 0.000 0.789 40 L N -1.192 120.049 121.223 0.030 0.000 2.465 40 L HA 0.038 4.376 4.340 -0.003 0.000 0.224 40 L C 1.240 178.115 176.870 0.009 0.000 1.145 40 L CA 0.643 55.494 54.840 0.019 0.000 0.834 40 L CB -1.818 40.251 42.059 0.016 0.000 0.944 40 L HN 0.107 8.337 8.230 -0.000 0.000 0.451 41 E N 0.960 121.163 120.200 0.004 0.000 2.502 41 E HA -0.072 4.276 4.350 -0.003 0.000 0.261 41 E C -0.579 176.018 176.600 -0.005 0.000 0.974 41 E CA -0.021 56.373 56.400 -0.010 0.000 0.936 41 E CB 0.483 30.168 29.700 -0.025 0.000 0.926 41 E HN 0.135 8.495 8.360 -0.000 0.000 0.459 42 D N 3.994 124.390 120.400 -0.007 0.000 2.175 42 D HA 0.392 5.031 4.640 -0.003 0.000 0.248 42 D C -0.257 176.050 176.300 0.011 0.000 1.047 42 D CA -0.183 53.821 54.000 0.007 0.000 0.883 42 D CB 1.096 41.903 40.800 0.011 0.000 1.180 42 D HN 0.355 8.725 8.370 -0.000 0.000 0.438 43 I N 1.157 121.755 120.570 0.047 0.000 2.498 43 I HA 0.075 4.244 4.170 -0.003 0.000 0.290 43 I C 0.070 176.277 176.117 0.150 0.000 1.032 43 I CA -0.885 60.474 61.300 0.099 0.000 1.073 43 I CB 2.246 40.336 38.000 0.150 0.000 1.251 43 I HN 0.123 8.333 8.210 -0.000 0.000 0.426 44 D N 5.653 126.158 120.400 0.176 0.000 2.434 44 D HA -0.046 4.592 4.640 -0.003 0.000 0.252 44 D C 0.552 176.970 176.300 0.197 0.000 1.185 44 D CA 0.266 54.365 54.000 0.164 0.000 0.886 44 D CB 1.111 42.008 40.800 0.163 0.000 1.148 44 D HN 0.451 8.821 8.370 -0.000 0.000 0.483 45 D N 2.948 123.436 120.400 0.146 0.000 2.263 45 D HA -0.170 4.468 4.640 -0.003 0.000 0.208 45 D C 1.231 177.601 176.300 0.116 0.000 0.971 45 D CA 0.826 54.911 54.000 0.142 0.000 0.867 45 D CB 0.118 40.968 40.800 0.083 0.000 0.929 45 D HN 0.587 8.957 8.370 -0.000 0.000 0.492 46 D N 0.419 120.878 120.400 0.098 0.000 2.277 46 D HA -0.080 4.559 4.640 -0.003 0.000 0.208 46 D C 1.745 178.100 176.300 0.091 0.000 0.962 46 D CA 0.619 54.664 54.000 0.076 0.000 0.865 46 D CB 0.300 41.135 40.800 0.058 0.000 0.939 46 D HN 0.172 8.542 8.370 -0.000 0.000 0.510 47 E N -0.268 120.018 120.200 0.143 0.000 2.072 47 E HA -0.117 4.232 4.350 -0.003 0.000 0.191 47 E C 2.295 178.928 176.600 0.054 0.000 0.985 47 E CA 0.824 57.300 56.400 0.126 0.000 0.801 47 E CB 0.095 29.996 29.700 0.335 0.000 0.750 47 E HN 0.210 8.570 8.360 -0.000 0.000 0.452 48 V N 1.857 121.876 119.914 0.175 0.000 2.332 48 V HA -0.275 3.844 4.120 -0.003 0.000 0.248 48 V C 2.548 178.758 176.094 0.194 0.000 1.055 48 V CA 2.059 64.498 62.300 0.232 0.000 1.038 48 V CB -0.658 31.385 31.823 0.367 0.000 0.651 48 V HN 0.244 8.434 8.190 -0.000 0.000 0.450 49 R N 0.246 120.819 120.500 0.121 0.000 2.096 49 R HA -0.151 4.187 4.340 -0.003 0.000 0.235 49 R C 2.462 178.813 176.300 0.086 0.000 1.127 49 R CA 1.632 57.791 56.100 0.098 0.000 0.968 49 R CB -0.146 30.186 30.300 0.054 0.000 0.861 49 R HN 0.412 8.682 8.270 -0.000 0.000 0.440 50 R N 0.031 120.553 120.500 0.038 0.000 2.119 50 R HA 0.064 4.402 4.340 -0.003 0.000 0.222 50 R C 2.323 178.591 176.300 -0.054 0.000 1.088 50 R CA 1.113 57.207 56.100 -0.010 0.000 0.984 50 R CB -0.141 30.142 30.300 -0.029 0.000 0.884 50 R HN 0.265 8.535 8.270 -0.000 0.000 0.447 51 I N -0.091 120.434 120.570 -0.075 0.000 2.142 51 I HA -0.293 3.875 4.170 -0.003 0.000 0.240 51 I C 1.649 177.674 176.117 -0.152 0.000 1.078 51 I CA 1.478 62.681 61.300 -0.161 0.000 1.343 51 I CB -0.226 37.644 38.000 -0.217 0.000 1.046 51 I HN 0.070 8.280 8.210 -0.000 0.000 0.405 52 F N 0.933 120.735 119.950 -0.246 0.000 2.216 52 F HA -0.191 4.335 4.527 -0.003 0.000 0.300 52 F C 2.533 178.180 175.800 -0.256 0.000 1.085 52 F CA 1.308 59.107 58.000 -0.335 0.000 1.326 52 F CB -0.727 38.022 39.000 -0.419 0.000 1.027 52 F HN 0.022 8.322 8.300 -0.000 0.000 0.497 53 A N -0.692 122.128 122.820 -0.001 0.000 1.969 53 A HA -0.188 4.130 4.320 -0.003 0.000 0.218 53 A C 2.145 179.673 177.584 -0.094 0.000 1.169 53 A CA 1.623 53.639 52.037 -0.035 0.000 0.635 53 A CB -0.489 18.505 19.000 -0.010 0.000 0.810 53 A HN 0.213 8.363 8.150 -0.000 0.000 0.445 54 K N -0.079 120.246 120.400 -0.125 0.000 2.057 54 K HA -0.026 4.293 4.320 -0.003 0.000 0.206 54 K C 1.674 178.159 176.600 -0.193 0.000 1.050 54 K CA 1.629 57.831 56.287 -0.142 0.000 0.935 54 K CB -0.587 31.826 32.500 -0.146 0.000 0.715 54 K HN 0.189 8.439 8.250 -0.000 0.000 0.439 55 V N 0.469 120.214 119.914 -0.283 0.000 2.343 55 V HA -0.242 3.876 4.120 -0.003 0.000 0.247 55 V C 2.368 178.253 176.094 -0.348 0.000 1.051 55 V CA 2.051 64.117 62.300 -0.391 0.000 1.036 55 V CB -0.813 30.633 31.823 -0.628 0.000 0.654 55 V HN 0.483 8.673 8.190 -0.000 0.000 0.451 56 S N -0.271 115.265 115.700 -0.274 0.000 2.353 56 S HA -0.319 4.149 4.470 -0.003 0.000 0.222 56 S C 2.154 176.671 174.600 -0.139 0.000 1.035 56 S CA 2.218 60.306 58.200 -0.187 0.000 1.025 56 S CB -0.402 62.732 63.200 -0.110 0.000 0.902 56 S HN 0.749 9.059 8.310 -0.000 0.000 0.440 57 E N 0.049 120.179 120.200 -0.117 0.000 2.204 57 E HA -0.148 4.200 4.350 -0.003 0.000 0.195 57 E C 1.889 178.435 176.600 -0.091 0.000 0.990 57 E CA 0.949 57.297 56.400 -0.087 0.000 0.821 57 E CB -0.032 29.624 29.700 -0.073 0.000 0.750 57 E HN 0.520 8.880 8.360 -0.000 0.000 0.477 58 K N -0.458 119.869 120.400 -0.122 0.000 2.211 58 K HA -0.001 4.317 4.320 -0.003 0.000 0.201 58 K C 2.051 178.591 176.600 -0.100 0.000 1.052 58 K CA 1.335 57.558 56.287 -0.107 0.000 0.973 58 K CB 0.306 32.734 32.500 -0.121 0.000 0.766 58 K HN 0.171 8.421 8.250 -0.000 0.000 0.466 59 T N -2.515 111.957 114.554 -0.137 0.000 3.081 59 T HA 0.141 4.490 4.350 -0.003 0.000 0.250 59 T C 1.272 175.933 174.700 -0.066 0.000 1.100 59 T CA 0.404 62.443 62.100 -0.102 0.000 1.038 59 T CB 0.371 69.138 68.868 -0.169 0.000 0.962 59 T HN 0.279 8.519 8.240 -0.000 0.000 0.516 60 G N 1.531 110.289 108.800 -0.071 0.000 2.198 60 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.260 60 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.260 60 G C -0.184 174.691 174.900 -0.042 0.000 1.025 60 G CA 0.149 45.221 45.100 -0.047 0.000 0.769 60 G HN 0.640 8.930 8.290 -0.000 0.000 0.507 61 K N 0.281 120.640 120.400 -0.068 0.000 2.244 61 K HA 0.231 4.549 4.320 -0.003 0.000 0.260 61 K C 0.507 177.076 176.600 -0.052 0.000 0.951 61 K CA -0.777 55.478 56.287 -0.053 0.000 0.826 61 K CB 1.082 33.539 32.500 -0.073 0.000 1.108 61 K HN 0.343 8.593 8.250 -0.000 0.000 0.433 62 N N 2.118 120.808 118.700 -0.015 0.000 2.356 62 N HA -0.096 4.642 4.740 -0.003 0.000 0.252 62 N C 0.920 176.437 175.510 0.013 0.000 1.241 62 N CA -0.198 52.854 53.050 0.004 0.000 0.861 62 N CB 0.784 39.286 38.487 0.025 0.000 1.075 62 N HN 0.213 8.593 8.380 -0.000 0.000 0.461 63 V N 3.554 123.485 119.914 0.028 0.000 2.392 63 V HA -0.264 3.855 4.120 -0.003 0.000 0.249 63 V C 1.989 178.182 176.094 0.165 0.000 1.059 63 V CA 1.575 63.915 62.300 0.067 0.000 1.051 63 V CB -0.684 31.206 31.823 0.111 0.000 0.658 63 V HN 0.740 8.930 8.190 -0.000 0.000 0.455 64 N N -0.016 118.780 118.700 0.159 0.000 2.223 64 N HA -0.178 4.560 4.740 -0.003 0.000 0.185 64 N C 1.910 177.526 175.510 0.177 0.000 1.016 64 N CA 1.418 54.583 53.050 0.192 0.000 0.863 64 N CB -0.209 38.356 38.487 0.130 0.000 0.983 64 N HN 0.645 9.025 8.380 -0.000 0.000 0.429 65 E N 0.526 120.795 120.200 0.115 0.000 2.072 65 E HA -0.021 4.327 4.350 -0.003 0.000 0.191 65 E C 1.940 178.611 176.600 0.118 0.000 0.985 65 E CA 0.512 56.972 56.400 0.100 0.000 0.801 65 E CB 0.050 29.788 29.700 0.062 0.000 0.750 65 E HN 0.277 8.637 8.360 -0.000 0.000 0.452 66 I N -0.486 120.127 120.570 0.073 0.000 2.252 66 I HA -0.246 3.922 4.170 -0.003 0.000 0.245 66 I C 1.898 178.071 176.117 0.093 0.000 1.102 66 I CA 1.023 62.340 61.300 0.028 0.000 1.385 66 I CB -0.297 37.576 38.000 -0.211 0.000 1.064 66 I HN 0.302 8.512 8.210 -0.000 0.000 0.414 67 W N 0.918 122.291 121.300 0.121 0.000 2.338 67 W HA -0.248 4.411 4.660 -0.002 0.000 0.304 67 W C 2.870 179.470 176.519 0.134 0.000 1.212 67 W CA 0.884 58.272 57.345 0.072 0.000 1.264 67 W CB -0.182 29.237 29.460 -0.068 0.000 1.142 67 W HN 0.016 8.196 8.180 -0.000 0.000 0.512 68 R N 1.120 121.823 120.500 0.340 0.000 2.083 68 R HA -0.174 4.165 4.340 -0.003 0.000 0.237 68 R C 1.762 178.178 176.300 0.193 0.000 1.137 68 R CA 2.157 58.393 56.100 0.227 0.000 0.951 68 R CB -0.714 29.674 30.300 0.147 0.000 0.851 68 R HN 0.212 8.482 8.270 -0.000 0.000 0.434 69 E N -0.629 119.678 120.200 0.177 0.000 2.047 69 E HA -0.143 4.206 4.350 -0.003 0.000 0.191 69 E C 1.960 178.651 176.600 0.151 0.000 0.987 69 E CA 1.565 58.045 56.400 0.134 0.000 0.799 69 E CB -0.096 29.683 29.700 0.132 0.000 0.752 69 E HN 0.134 8.494 8.360 -0.000 0.000 0.449 70 V N 1.208 121.247 119.914 0.208 0.000 2.332 70 V HA -0.241 3.877 4.120 -0.003 0.000 0.248 70 V C 2.390 178.713 176.094 0.381 0.000 1.055 70 V CA 2.035 64.478 62.300 0.239 0.000 1.038 70 V CB -1.129 30.792 31.823 0.164 0.000 0.651 70 V HN 0.418 8.608 8.190 -0.000 0.000 0.450 71 G N -0.089 108.994 108.800 0.471 0.000 2.446 71 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.217 71 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.217 71 G C 1.713 176.698 174.900 0.142 0.000 1.168 71 G CA 0.832 46.127 45.100 0.325 0.000 0.771 71 G HN 0.442 8.732 8.290 -0.000 0.000 0.551 72 R N -0.287 120.283 120.500 0.117 0.000 2.080 72 R HA -0.115 4.224 4.340 -0.003 0.000 0.236 72 R C 2.631 178.978 176.300 0.078 0.000 1.137 72 R CA 1.657 57.799 56.100 0.070 0.000 0.943 72 R CB -0.481 29.850 30.300 0.052 0.000 0.846 72 R HN 0.398 8.668 8.270 -0.000 0.000 0.431 73 Q N 0.989 120.841 119.800 0.087 0.000 2.230 73 Q HA -0.108 4.230 4.340 -0.003 0.000 0.202 73 Q C 1.388 177.447 176.000 0.098 0.000 0.963 73 Q CA 1.456 57.297 55.803 0.063 0.000 0.866 73 Q CB -0.193 28.558 28.738 0.022 0.000 0.931 73 Q HN 0.161 8.431 8.270 -0.000 0.000 0.452 74 N N -0.673 118.135 118.700 0.179 0.000 2.457 74 N HA -0.011 4.727 4.740 -0.003 0.000 0.180 74 N C 1.072 176.700 175.510 0.197 0.000 1.050 74 N CA 0.472 53.666 53.050 0.240 0.000 0.906 74 N CB 0.015 38.785 38.487 0.473 0.000 0.968 74 N HN 0.255 8.635 8.380 -0.000 0.000 0.445 75 I N 0.607 121.258 120.570 0.136 0.000 2.394 75 I HA -0.204 3.965 4.170 -0.003 0.000 0.251 75 I C 2.161 178.271 176.117 -0.012 0.000 1.136 75 I CA 1.023 62.384 61.300 0.102 0.000 1.425 75 I CB -0.697 37.353 38.000 0.082 0.000 1.079 75 I HN 0.313 8.523 8.210 -0.000 0.000 0.425 76 K N 0.666 121.071 120.400 0.009 0.000 2.001 76 K HA -0.145 4.173 4.320 -0.003 0.000 0.208 76 K C 2.075 178.646 176.600 -0.050 0.000 1.048 76 K CA 1.913 58.188 56.287 -0.020 0.000 0.932 76 K CB 0.016 32.524 32.500 0.014 0.000 0.715 76 K HN 0.191 8.441 8.250 -0.000 0.000 0.437 77 T N 0.943 115.473 114.554 -0.039 0.000 2.635 77 T HA -0.200 4.148 4.350 -0.003 0.000 0.267 77 T C 1.545 176.108 174.700 -0.229 0.000 1.040 77 T CA 1.722 63.718 62.100 -0.173 0.000 1.156 77 T CB -0.484 68.251 68.868 -0.222 0.000 0.863 77 T HN 0.202 8.442 8.240 -0.000 0.000 0.430 78 F N 2.240 122.083 119.950 -0.177 0.000 2.102 78 F HA -0.174 4.352 4.527 -0.003 0.000 0.298 78 F C 2.799 178.599 175.800 -0.000 0.000 1.105 78 F CA 1.637 59.645 58.000 0.013 0.000 1.239 78 F CB -0.454 38.652 39.000 0.177 0.000 0.991 78 F HN 0.214 8.514 8.300 -0.000 0.000 0.474 79 S N -0.707 114.839 115.700 -0.257 0.000 2.419 79 S HA -0.217 4.251 4.470 -0.003 0.000 0.233 79 S C 1.772 176.246 174.600 -0.210 0.000 1.016 79 S CA 1.413 59.165 58.200 -0.748 0.000 0.974 79 S CB -0.709 61.659 63.200 -1.387 0.000 0.786 79 S HN 0.567 8.877 8.310 -0.000 0.000 0.492 80 E N 0.324 120.472 120.200 -0.087 0.000 2.028 80 E HA -0.081 4.267 4.350 -0.003 0.000 0.191 80 E C 1.801 178.461 176.600 0.099 0.000 0.988 80 E CA 1.379 57.807 56.400 0.047 0.000 0.799 80 E CB -0.215 29.560 29.700 0.125 0.000 0.755 80 E HN 0.639 8.999 8.360 -0.000 0.000 0.447 81 W N 0.004 121.102 121.300 -0.337 0.000 2.381 81 W HA -0.021 4.638 4.660 -0.003 0.000 0.301 81 W C 0.617 176.602 176.519 -0.890 0.000 1.205 81 W CA 0.568 57.500 57.345 -0.687 0.000 1.285 81 W CB -0.388 28.500 29.460 -0.952 0.000 1.133 81 W HN -0.062 8.118 8.180 -0.000 0.000 0.521 82 F N 0.416 120.404 119.950 0.064 0.000 2.531 82 F HA 0.287 4.813 4.527 -0.003 0.000 0.333 82 F C -1.643 174.366 175.800 0.350 0.000 1.292 82 F CA -1.996 56.101 58.000 0.163 0.000 1.184 82 F CB 0.694 39.764 39.000 0.116 0.000 1.426 82 F HN -0.283 8.017 8.300 -0.000 0.000 0.559 83 P HA -0.101 4.319 4.420 -0.000 0.000 0.225 83 P C 1.464 179.028 177.300 0.441 0.000 1.156 83 P CA 1.061 64.364 63.100 0.338 0.000 0.787 83 P CB 0.098 31.907 31.700 0.183 0.000 0.802 84 S N -1.416 114.486 115.700 0.337 0.000 2.419 84 S HA -0.184 4.285 4.470 -0.003 0.000 0.233 84 S C 1.690 176.388 174.600 0.162 0.000 1.016 84 S CA 0.905 59.211 58.200 0.177 0.000 0.974 84 S CB -1.719 61.492 63.200 0.019 0.000 0.786 84 S HN 0.164 8.474 8.310 -0.000 0.000 0.492 85 Y N 0.130 120.651 120.300 0.368 0.000 2.583 85 Y HA 0.272 4.820 4.550 -0.003 0.000 0.293 85 Y C 1.306 177.304 175.900 0.163 0.000 1.157 85 Y CA 0.274 58.505 58.100 0.219 0.000 1.315 85 Y CB -0.287 38.261 38.460 0.148 0.000 1.021 85 Y HN 0.276 8.556 8.280 -0.000 0.000 0.536 86 F N -1.504 118.716 119.950 0.449 0.000 2.619 86 F HA 0.387 4.913 4.527 -0.003 0.000 0.281 86 F C 1.496 177.547 175.800 0.419 0.000 1.065 86 F CA -0.297 57.937 58.000 0.390 0.000 1.304 86 F CB -0.363 38.622 39.000 -0.024 0.000 1.059 86 F HN -0.246 8.054 8.300 -0.000 0.000 0.648 87 A N 0.672 123.787 122.820 0.492 0.000 2.546 87 A HA 0.384 4.702 4.320 -0.003 0.000 0.243 87 A C 1.477 179.231 177.584 0.283 0.000 1.063 87 A CA 0.773 53.020 52.037 0.350 0.000 0.757 87 A CB -0.925 18.224 19.000 0.248 0.000 0.991 87 A HN 1.044 9.194 8.150 -0.000 0.000 0.503 88 G N 1.940 110.891 108.800 0.253 0.000 2.153 88 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.252 88 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.252 88 G C 0.293 175.298 174.900 0.175 0.000 0.994 88 G CA 0.881 46.089 45.100 0.180 0.000 0.698 88 G HN 0.970 9.260 8.290 -0.000 0.000 0.521 89 R N -0.383 120.269 120.500 0.254 0.000 2.873 89 R HA 0.765 5.103 4.340 -0.003 0.000 0.264 89 R C 0.821 177.153 176.300 0.052 0.000 1.026 89 R CA -0.888 55.309 56.100 0.162 0.000 1.002 89 R CB 1.006 31.444 30.300 0.229 0.000 1.174 89 R HN 0.418 8.688 8.270 -0.000 0.000 0.488 90 R N 1.353 121.786 120.500 -0.112 0.000 2.856 90 R HA 0.237 4.575 4.340 -0.003 0.000 0.258 90 R C 0.440 176.426 176.300 -0.524 0.000 1.066 90 R CA -0.733 55.220 56.100 -0.246 0.000 1.045 90 R CB 0.526 30.742 30.300 -0.140 0.000 1.178 90 R HN 0.489 8.759 8.270 -0.000 0.000 0.499 91 L N 1.663 122.579 121.223 -0.513 0.000 1.989 91 L HA -0.152 4.186 4.340 -0.003 0.000 0.211 91 L C 2.253 179.074 176.870 -0.083 0.000 1.071 91 L CA 1.896 56.483 54.840 -0.422 0.000 0.749 91 L CB -0.679 41.386 42.059 0.011 0.000 0.890 91 L HN 0.667 8.897 8.230 -0.000 0.000 0.431 92 V N 0.229 120.072 119.914 -0.118 0.000 2.295 92 V HA -0.305 3.814 4.120 -0.003 0.000 0.246 92 V C 2.413 178.478 176.094 -0.048 0.000 1.049 92 V CA 2.242 64.463 62.300 -0.132 0.000 1.024 92 V CB -0.592 30.891 31.823 -0.567 0.000 0.648 92 V HN 0.641 8.831 8.190 -0.000 0.000 0.447 93 N N -0.133 118.508 118.700 -0.098 0.000 2.069 93 N HA -0.207 4.531 4.740 -0.003 0.000 0.191 93 N C 1.710 177.223 175.510 0.005 0.000 1.031 93 N CA 2.094 55.119 53.050 -0.043 0.000 0.852 93 N CB -0.761 37.694 38.487 -0.052 0.000 1.018 93 N HN 0.632 9.012 8.380 -0.000 0.000 0.423 94 F N 1.760 121.605 119.950 -0.176 0.000 2.091 94 F HA -0.150 4.375 4.527 -0.003 0.000 0.299 94 F C 2.083 177.851 175.800 -0.053 0.000 1.103 94 F CA 1.304 59.214 58.000 -0.150 0.000 1.228 94 F CB -0.355 38.440 39.000 -0.343 0.000 0.984 94 F HN -0.048 8.252 8.300 -0.000 0.000 0.477 95 L N -0.569 120.685 121.223 0.052 0.000 2.027 95 L HA -0.253 4.085 4.340 -0.003 0.000 0.206 95 L C 2.564 179.426 176.870 -0.013 0.000 1.074 95 L CA 1.082 55.935 54.840 0.021 0.000 0.745 95 L CB -0.702 41.471 42.059 0.191 0.000 0.898 95 L HN 0.175 8.405 8.230 -0.000 0.000 0.433 96 M N -0.170 119.451 119.600 0.034 0.000 2.213 96 M HA -0.200 4.278 4.480 -0.003 0.000 0.263 96 M C 2.359 178.650 176.300 -0.014 0.000 1.062 96 M CA 1.760 57.084 55.300 0.040 0.000 1.105 96 M CB -0.837 31.811 32.600 0.081 0.000 1.385 96 M HN 0.484 8.774 8.290 -0.000 0.000 0.417 97 M N -1.973 117.592 119.600 -0.059 0.000 2.492 97 M HA -0.023 4.455 4.480 -0.003 0.000 0.262 97 M C 1.878 178.113 176.300 -0.107 0.000 1.090 97 M CA 1.085 56.343 55.300 -0.070 0.000 1.110 97 M CB -0.380 32.182 32.600 -0.064 0.000 1.407 97 M HN 0.013 8.303 8.290 -0.000 0.000 0.470 98 M N 2.001 121.499 119.600 -0.170 0.000 2.213 98 M HA -0.139 4.339 4.480 -0.003 0.000 0.263 98 M C 1.467 177.704 176.300 -0.106 0.000 1.062 98 M CA 1.813 56.994 55.300 -0.199 0.000 1.105 98 M CB -0.805 31.627 32.600 -0.280 0.000 1.385 98 M HN 0.492 8.782 8.290 -0.000 0.000 0.417 99 D N -0.425 119.937 120.400 -0.063 0.000 2.117 99 D HA -0.172 4.466 4.640 -0.003 0.000 0.197 99 D C 1.725 178.002 176.300 -0.039 0.000 0.987 99 D CA 1.567 55.541 54.000 -0.043 0.000 0.829 99 D CB 0.034 40.816 40.800 -0.029 0.000 0.961 99 D HN 0.529 8.899 8.370 -0.000 0.000 0.460 100 E N -0.398 119.781 120.200 -0.034 0.000 2.051 100 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 100 E C 2.379 178.970 176.600 -0.014 0.000 0.991 100 E CA 0.977 57.364 56.400 -0.021 0.000 0.799 100 E CB 0.008 29.699 29.700 -0.015 0.000 0.748 100 E HN 0.150 8.510 8.360 -0.000 0.000 0.449 101 V N 1.202 121.104 119.914 -0.020 0.000 2.250 101 V HA -0.312 3.806 4.120 -0.003 0.000 0.250 101 V C 2.404 178.488 176.094 -0.016 0.000 1.060 101 V CA 2.205 64.505 62.300 0.001 0.000 1.030 101 V CB -1.283 30.524 31.823 -0.027 0.000 0.643 101 V HN 0.469 8.659 8.190 -0.000 0.000 0.445 102 G N -0.419 108.354 108.800 -0.046 0.000 2.491 102 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.218 102 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.218 102 G C 1.577 176.464 174.900 -0.023 0.000 1.180 102 G CA 1.335 46.410 45.100 -0.042 0.000 0.774 102 G HN 0.472 8.762 8.290 -0.000 0.000 0.562 103 L N -0.407 120.805 121.223 -0.018 0.000 2.012 103 L HA -0.130 4.208 4.340 -0.003 0.000 0.210 103 L C 3.190 180.059 176.870 -0.002 0.000 1.073 103 L CA 1.138 55.971 54.840 -0.011 0.000 0.748 103 L CB -0.433 41.619 42.059 -0.012 0.000 0.891 103 L HN 0.172 8.402 8.230 -0.000 0.000 0.431 104 Q N 0.019 119.822 119.800 0.005 0.000 2.124 104 Q HA -0.151 4.188 4.340 -0.003 0.000 0.202 104 Q C 2.335 178.348 176.000 0.020 0.000 0.977 104 Q CA 1.483 57.295 55.803 0.016 0.000 0.850 104 Q CB -0.264 28.490 28.738 0.027 0.000 0.901 104 Q HN 0.544 8.814 8.270 -0.000 0.000 0.429 105 L N 0.313 121.547 121.223 0.019 0.000 2.093 105 L HA -0.159 4.179 4.340 -0.003 0.000 0.208 105 L C 2.553 179.428 176.870 0.008 0.000 1.085 105 L CA 1.663 56.513 54.840 0.018 0.000 0.755 105 L CB -0.936 41.125 42.059 0.003 0.000 0.904 105 L HN 0.306 8.536 8.230 -0.000 0.000 0.435 106 T N -2.359 112.196 114.554 0.001 0.000 2.897 106 T HA -0.172 4.176 4.350 -0.003 0.000 0.271 106 T C 1.764 176.466 174.700 0.004 0.000 1.084 106 T CA 0.948 63.048 62.100 -0.001 0.000 1.123 106 T CB -0.084 68.781 68.868 -0.005 0.000 0.865 106 T HN 0.271 8.511 8.240 -0.000 0.000 0.496 107 K N 0.174 120.578 120.400 0.007 0.000 2.098 107 K HA 0.188 4.507 4.320 -0.003 0.000 0.203 107 K C 2.084 178.691 176.600 0.012 0.000 1.051 107 K CA 0.640 56.932 56.287 0.008 0.000 0.957 107 K CB -0.162 32.343 32.500 0.009 0.000 0.738 107 K HN 0.372 8.622 8.250 -0.000 0.000 0.447 108 M N 0.479 120.089 119.600 0.016 0.000 2.506 108 M HA 0.178 4.656 4.480 -0.003 0.000 0.260 108 M C 0.800 177.112 176.300 0.021 0.000 1.104 108 M CA 0.575 55.888 55.300 0.021 0.000 1.112 108 M CB -0.077 32.541 32.600 0.031 0.000 1.401 108 M HN -0.046 8.244 8.290 -0.000 0.000 0.473 109 I N 0.667 121.247 120.570 0.016 0.000 2.468 109 I HA 0.251 4.419 4.170 -0.003 0.000 0.285 109 I C 0.151 176.274 176.117 0.010 0.000 1.039 109 I CA -0.733 60.576 61.300 0.015 0.000 1.074 109 I CB 2.004 40.012 38.000 0.014 0.000 1.228 109 I HN -0.011 8.199 8.210 -0.000 0.000 0.436 110 K N 4.501 124.907 120.400 0.010 0.000 2.412 110 K HA 0.248 4.567 4.320 -0.003 0.000 0.281 110 K C 1.063 177.666 176.600 0.006 0.000 1.027 110 K CA 1.095 57.387 56.287 0.007 0.000 0.989 110 K CB 0.635 33.140 32.500 0.007 0.000 0.935 110 K HN 0.953 9.203 8.250 -0.000 0.000 0.475 111 G N 1.998 110.800 108.800 0.003 0.000 2.179 111 G HA2 -0.297 3.662 3.960 -0.003 0.000 0.260 111 G HA3 -0.297 3.662 3.960 -0.003 0.000 0.260 111 G C 0.088 174.988 174.900 0.000 0.000 0.977 111 G CA 0.238 45.339 45.100 0.002 0.000 0.641 111 G HN 0.895 9.185 8.290 -0.000 0.000 0.533 112 A N -0.402 122.418 122.820 0.000 0.000 2.388 112 A HA 0.736 5.054 4.320 -0.003 0.000 0.257 112 A C 0.733 178.313 177.584 -0.007 0.000 1.095 112 A CA 1.136 53.172 52.037 -0.003 0.000 0.791 112 A CB 0.882 19.880 19.000 -0.004 0.000 1.029 112 A HN 0.887 9.037 8.150 -0.000 0.000 0.489 113 T N 3.873 118.422 114.554 -0.008 0.000 3.954 113 T HA 0.391 4.739 4.350 -0.003 0.000 0.226 113 T C -2.698 171.993 174.700 -0.014 0.000 1.049 113 T CA -0.599 61.492 62.100 -0.014 0.000 1.481 113 T CB -0.295 68.562 68.868 -0.018 0.000 0.853 113 T HN 0.586 8.826 8.240 -0.000 0.000 0.632 114 P HA 0.401 4.821 4.420 -0.000 0.000 0.275 114 P C -2.547 174.737 177.300 -0.027 0.000 1.228 114 P CA -1.293 61.801 63.100 -0.009 0.000 0.786 114 P CB 0.073 31.758 31.700 -0.025 0.000 0.927 115 P HA 0.148 4.568 4.420 -0.000 0.000 0.272 115 P C -0.286 176.957 177.300 -0.095 0.000 1.223 115 P CA -0.259 62.775 63.100 -0.109 0.000 0.784 115 P CB 0.617 32.224 31.700 -0.154 0.000 0.923 116 R N 1.830 122.254 120.500 -0.127 0.000 2.590 116 R HA 0.254 4.593 4.340 -0.003 0.000 0.274 116 R C 0.005 176.245 176.300 -0.101 0.000 1.061 116 R CA -0.055 55.988 56.100 -0.096 0.000 1.081 116 R CB -0.384 29.860 30.300 -0.092 0.000 0.984 116 R HN 0.526 8.796 8.270 -0.000 0.000 0.448 117 L N 4.452 125.648 121.223 -0.045 0.000 2.594 117 L HA 0.328 4.666 4.340 -0.003 0.000 0.245 117 L C -0.574 176.302 176.870 0.011 0.000 1.460 117 L CA -0.644 54.197 54.840 0.001 0.000 0.865 117 L CB 0.427 42.526 42.059 0.067 0.000 1.131 117 L HN 0.361 8.591 8.230 -0.000 0.000 0.506 118 I N 1.659 122.222 120.570 -0.012 0.000 2.556 118 I HA 0.377 4.546 4.170 -0.003 0.000 0.284 118 I C 0.780 176.909 176.117 0.020 0.000 1.114 118 I CA 0.440 61.736 61.300 -0.007 0.000 1.418 118 I CB 0.752 38.736 38.000 -0.027 0.000 1.394 118 I HN 0.396 8.606 8.210 -0.000 0.000 0.552 119 A N 7.000 129.832 122.820 0.021 0.000 2.386 119 A HA 0.888 5.206 4.320 -0.003 0.000 0.311 119 A C -0.496 177.090 177.584 0.005 0.000 1.068 119 A CA -0.729 51.330 52.037 0.037 0.000 0.743 119 A CB 1.406 20.448 19.000 0.070 0.000 1.258 119 A HN 0.748 8.898 8.150 -0.000 0.000 0.429 120 K N 1.599 121.989 120.400 -0.016 0.000 2.527 120 K HA 0.715 5.034 4.320 -0.003 0.000 0.260 120 K C -3.364 173.139 176.600 -0.163 0.000 0.937 120 K CA -1.828 54.409 56.287 -0.085 0.000 0.826 120 K CB 2.464 34.920 32.500 -0.074 0.000 1.359 120 K HN 0.299 8.549 8.250 -0.000 0.000 0.434 121 P HA 0.029 4.449 4.420 -0.000 0.000 0.276 121 P C 0.313 177.424 177.300 -0.315 0.000 1.230 121 P CA -0.635 62.106 63.100 -0.598 0.000 0.776 121 P CB 1.163 32.061 31.700 -1.338 0.000 0.888 122 V N -0.543 119.257 119.914 -0.190 0.000 3.548 122 V HA 0.742 4.860 4.120 -0.003 0.000 0.279 122 V C 0.313 176.363 176.094 -0.074 0.000 1.446 122 V CA 0.272 62.513 62.300 -0.098 0.000 1.023 122 V CB -0.308 31.494 31.823 -0.036 0.000 0.820 122 V HN 0.575 8.765 8.190 -0.000 0.000 0.438 123 A N -0.248 122.525 122.820 -0.078 0.000 2.610 123 A HA 0.615 4.933 4.320 -0.003 0.000 0.291 123 A C 0.414 178.005 177.584 0.012 0.000 1.086 123 A CA -0.171 51.846 52.037 -0.033 0.000 0.677 123 A CB 1.132 20.153 19.000 0.034 0.000 1.278 123 A HN -0.004 8.146 8.150 -0.000 0.000 0.414 124 K N 0.143 120.544 120.400 0.002 0.000 2.189 124 K HA -0.208 4.111 4.320 -0.003 0.000 0.207 124 K C 0.291 176.988 176.600 0.163 0.000 1.046 124 K CA 2.128 58.453 56.287 0.063 0.000 0.928 124 K CB -0.026 32.493 32.500 0.033 0.000 0.720 124 K HN 0.767 9.017 8.250 -0.000 0.000 0.458 125 D N -1.739 118.766 120.400 0.174 0.000 2.571 125 D HA 0.252 4.890 4.640 -0.003 0.000 0.239 125 D C -0.419 176.112 176.300 0.385 0.000 1.267 125 D CA -0.326 53.813 54.000 0.233 0.000 0.823 125 D CB 0.489 41.385 40.800 0.160 0.000 1.056 125 D HN 0.070 8.440 8.370 -0.000 0.000 0.494 126 A N 0.389 123.437 122.820 0.381 0.000 2.612 126 A HA 0.732 5.050 4.320 -0.003 0.000 0.293 126 A C -1.124 176.636 177.584 0.292 0.000 1.075 126 A CA -0.982 51.265 52.037 0.349 0.000 0.680 126 A CB 1.317 20.410 19.000 0.156 0.000 1.279 126 A HN 0.362 8.512 8.150 -0.000 0.000 0.411 127 I N -2.313 118.414 120.570 0.261 0.000 2.969 127 I HA 0.782 4.950 4.170 -0.003 0.000 0.307 127 I C -0.798 175.372 176.117 0.087 0.000 1.149 127 I CA -0.717 60.677 61.300 0.156 0.000 1.008 127 I CB 2.307 40.464 38.000 0.262 0.000 1.232 127 I HN 0.624 8.834 8.210 -0.000 0.000 0.435 128 E N 3.735 123.965 120.200 0.050 0.000 2.179 128 E HA 0.554 4.903 4.350 -0.003 0.000 0.275 128 E C -1.258 175.387 176.600 0.075 0.000 0.945 128 E CA -0.840 55.591 56.400 0.052 0.000 0.792 128 E CB 2.618 32.333 29.700 0.025 0.000 1.125 128 E HN 0.576 8.936 8.360 -0.000 0.000 0.397 129 M N 2.591 122.259 119.600 0.113 0.000 2.326 129 M HA 0.292 4.770 4.480 -0.003 0.000 0.306 129 M C -1.395 174.999 176.300 0.157 0.000 1.054 129 M CA -0.468 54.925 55.300 0.154 0.000 0.922 129 M CB 1.757 34.501 32.600 0.240 0.000 1.632 129 M HN 0.417 8.707 8.290 -0.000 0.000 0.436 130 E N 3.610 123.857 120.200 0.079 0.000 2.145 130 E HA 0.172 4.520 4.350 -0.003 0.000 0.262 130 E C -1.940 174.610 176.600 -0.084 0.000 0.883 130 E CA -0.623 55.785 56.400 0.014 0.000 0.748 130 E CB 1.126 30.819 29.700 -0.012 0.000 1.140 130 E HN 0.680 9.040 8.360 -0.000 0.000 0.417 131 Y N 4.959 125.003 120.300 -0.426 0.000 2.537 131 Y HA 0.273 4.822 4.550 -0.003 0.000 0.339 131 Y C -1.281 174.471 175.900 -0.248 0.000 1.066 131 Y CA 0.021 57.758 58.100 -0.604 0.000 1.357 131 Y CB 0.420 38.120 38.460 -1.267 0.000 1.175 131 Y HN 0.186 8.466 8.280 -0.000 0.000 0.525 132 V N 6.257 125.822 119.914 -0.581 0.000 2.531 132 V HA 0.652 4.771 4.120 -0.003 0.000 0.301 132 V C -0.619 175.170 176.094 -0.509 0.000 1.034 132 V CA -0.521 61.521 62.300 -0.430 0.000 0.865 132 V CB 1.513 33.237 31.823 -0.165 0.000 0.995 132 V HN 0.793 8.983 8.190 -0.000 0.000 0.424 133 S N 3.243 118.678 115.700 -0.441 0.000 2.578 133 S HA 0.436 4.905 4.470 -0.003 0.000 0.272 133 S C -0.111 174.268 174.600 -0.367 0.000 1.145 133 S CA -0.675 57.284 58.200 -0.402 0.000 0.835 133 S CB 2.115 64.956 63.200 -0.597 0.000 1.104 133 S HN 0.670 8.980 8.310 -0.000 0.000 0.458 134 K N 0.616 120.767 120.400 -0.416 0.000 2.379 134 K HA 0.213 4.531 4.320 -0.003 0.000 0.194 134 K C 0.812 177.236 176.600 -0.295 0.000 1.031 134 K CA 0.142 56.130 56.287 -0.499 0.000 1.037 134 K CB 0.204 32.388 32.500 -0.527 0.000 0.824 134 K HN 0.395 8.645 8.250 -0.000 0.000 0.516 135 R N 0.794 121.161 120.500 -0.221 0.000 2.541 135 R HA 0.265 4.604 4.340 -0.003 0.000 0.254 135 R C -0.149 176.045 176.300 -0.177 0.000 1.130 135 R CA -0.420 55.580 56.100 -0.166 0.000 1.152 135 R CB 0.687 30.922 30.300 -0.108 0.000 1.222 135 R HN -0.208 8.062 8.270 -0.000 0.000 0.579 136 K N 1.421 121.686 120.400 -0.225 0.000 2.723 136 K HA 0.255 4.573 4.320 -0.003 0.000 0.229 136 K C -1.057 175.257 176.600 -0.477 0.000 1.022 136 K CA -0.025 56.039 56.287 -0.372 0.000 1.045 136 K CB 0.672 32.895 32.500 -0.462 0.000 1.227 136 K HN 0.455 8.705 8.250 -0.000 0.000 0.516 137 M N 4.622 123.993 119.600 -0.382 0.000 3.003 137 M HA 0.190 4.668 4.480 -0.003 0.000 0.221 137 M C -0.182 175.863 176.300 -0.425 0.000 1.126 137 M CA -0.526 54.479 55.300 -0.492 0.000 0.778 137 M CB 0.371 32.699 32.600 -0.452 0.000 1.380 137 M HN 0.563 8.853 8.290 -0.000 0.000 0.508 138 Y N 0.683 120.827 120.300 -0.260 0.000 2.097 138 Y HA -0.291 4.257 4.550 -0.003 0.000 0.282 138 Y C 2.118 177.962 175.900 -0.092 0.000 1.152 138 Y CA 1.004 58.986 58.100 -0.197 0.000 1.136 138 Y CB 0.001 38.425 38.460 -0.060 0.000 0.975 138 Y HN 0.504 8.784 8.280 -0.000 0.000 0.498 139 D N -1.026 119.443 120.400 0.115 0.000 2.178 139 D HA -0.191 4.447 4.640 -0.003 0.000 0.202 139 D C 1.760 178.150 176.300 0.149 0.000 0.974 139 D CA 1.150 55.228 54.000 0.129 0.000 0.841 139 D CB -0.372 40.532 40.800 0.173 0.000 0.953 139 D HN 0.356 8.726 8.370 -0.000 0.000 0.478 140 Y N 1.224 121.491 120.300 -0.054 0.000 2.145 140 Y HA -0.233 4.316 4.550 -0.003 0.000 0.286 140 Y C 2.095 177.995 175.900 -0.000 0.000 1.145 140 Y CA 0.906 58.999 58.100 -0.013 0.000 1.148 140 Y CB -0.770 37.544 38.460 -0.244 0.000 0.981 140 Y HN -0.114 8.166 8.280 -0.000 0.000 0.507 141 F N 0.321 120.095 119.950 -0.293 0.000 2.091 141 F HA -0.274 4.252 4.527 -0.003 0.000 0.299 141 F C 1.958 177.639 175.800 -0.200 0.000 1.103 141 F CA 1.951 59.740 58.000 -0.352 0.000 1.228 141 F CB -0.831 37.837 39.000 -0.553 0.000 0.984 141 F HN 0.064 8.364 8.300 -0.000 0.000 0.477 142 L N -0.089 120.949 121.223 -0.308 0.000 2.083 142 L HA -0.124 4.214 4.340 -0.003 0.000 0.209 142 L C 2.811 179.539 176.870 -0.237 0.000 1.083 142 L CA 1.304 55.934 54.840 -0.351 0.000 0.752 142 L CB -1.580 40.408 42.059 -0.118 0.000 0.899 142 L HN 0.377 8.607 8.230 -0.000 0.000 0.433 143 G N 0.059 108.790 108.800 -0.116 0.000 2.408 143 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.217 143 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.217 143 G C 1.629 176.475 174.900 -0.090 0.000 1.150 143 G CA 0.413 45.487 45.100 -0.043 0.000 0.776 143 G HN 0.225 8.515 8.290 -0.000 0.000 0.542 144 L N 0.178 121.280 121.223 -0.201 0.000 2.131 144 L HA 0.007 4.345 4.340 -0.003 0.000 0.210 144 L C 2.781 179.591 176.870 -0.100 0.000 1.092 144 L CA 0.513 55.249 54.840 -0.173 0.000 0.759 144 L CB -0.280 41.599 42.059 -0.301 0.000 0.903 144 L HN 0.196 8.426 8.230 -0.000 0.000 0.435 145 I N -0.259 120.183 120.570 -0.213 0.000 2.179 145 I HA -0.291 3.878 4.170 -0.003 0.000 0.242 145 I C 2.381 178.471 176.117 -0.045 0.000 1.088 145 I CA 1.518 62.723 61.300 -0.157 0.000 1.357 145 I CB -0.268 37.541 38.000 -0.319 0.000 1.051 145 I HN 0.300 8.510 8.210 -0.000 0.000 0.409 146 E N 0.645 120.808 120.200 -0.062 0.000 2.150 146 E HA -0.125 4.224 4.350 -0.003 0.000 0.193 146 E C 2.284 178.903 176.600 0.032 0.000 0.985 146 E CA 1.025 57.416 56.400 -0.014 0.000 0.814 146 E CB -0.289 29.396 29.700 -0.025 0.000 0.752 146 E HN 0.580 8.940 8.360 -0.000 0.000 0.466 147 G N 0.801 109.622 108.800 0.035 0.000 2.418 147 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.217 147 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.217 147 G C 1.684 176.650 174.900 0.111 0.000 1.158 147 G CA 0.919 46.058 45.100 0.066 0.000 0.771 147 G HN 0.171 8.461 8.290 -0.000 0.000 0.545 148 S N 0.573 116.363 115.700 0.151 0.000 2.368 148 S HA -0.152 4.316 4.470 -0.003 0.000 0.225 148 S C 2.558 177.358 174.600 0.332 0.000 1.030 148 S CA 1.460 59.810 58.200 0.250 0.000 0.999 148 S CB -0.363 63.069 63.200 0.387 0.000 0.844 148 S HN 0.481 8.791 8.310 -0.000 0.000 0.459 149 S N 1.586 117.424 115.700 0.231 0.000 2.368 149 S HA -0.143 4.325 4.470 -0.003 0.000 0.225 149 S C 1.902 176.601 174.600 0.165 0.000 1.030 149 S CA 1.547 59.870 58.200 0.205 0.000 0.999 149 S CB -0.303 62.956 63.200 0.099 0.000 0.844 149 S HN 0.514 8.824 8.310 -0.000 0.000 0.459 150 K N -0.620 119.847 120.400 0.112 0.000 2.057 150 K HA -0.121 4.198 4.320 -0.003 0.000 0.207 150 K C 1.973 178.602 176.600 0.048 0.000 1.049 150 K CA 1.587 57.914 56.287 0.067 0.000 0.931 150 K CB -0.438 32.090 32.500 0.047 0.000 0.714 150 K HN 0.490 8.740 8.250 -0.000 0.000 0.440 151 F N 0.392 120.271 119.950 -0.119 0.000 2.134 151 F HA -0.109 4.416 4.527 -0.003 0.000 0.299 151 F C 1.273 176.882 175.800 -0.318 0.000 1.097 151 F CA 1.443 59.267 58.000 -0.293 0.000 1.264 151 F CB -0.094 38.592 39.000 -0.523 0.000 1.001 151 F HN -0.040 8.260 8.300 -0.000 0.000 0.479 152 F N 0.829 120.875 119.950 0.160 0.000 2.811 152 F HA 0.154 4.679 4.527 -0.003 0.000 0.301 152 F C 0.874 176.668 175.800 -0.011 0.000 1.151 152 F CA 0.129 58.166 58.000 0.060 0.000 1.412 152 F CB -0.560 38.518 39.000 0.130 0.000 1.113 152 F HN -0.187 8.113 8.300 -0.000 0.000 0.579 153 K N 1.420 121.873 120.400 0.087 0.000 3.156 153 K HA -0.239 4.080 4.320 -0.003 0.000 0.266 153 K C -0.761 175.898 176.600 0.097 0.000 0.966 153 K CA 0.630 56.948 56.287 0.051 0.000 0.719 153 K CB -1.621 30.875 32.500 -0.008 0.000 1.333 153 K HN 0.473 8.723 8.250 -0.000 0.000 0.468 154 E N 1.152 121.441 120.200 0.149 0.000 2.216 154 E HA 0.124 4.472 4.350 -0.003 0.000 0.260 154 E C -0.736 175.938 176.600 0.124 0.000 0.880 154 E CA -0.567 55.922 56.400 0.148 0.000 0.765 154 E CB 1.679 31.497 29.700 0.197 0.000 1.174 154 E HN 0.217 8.577 8.360 -0.000 0.000 0.417 155 E N 4.607 124.861 120.200 0.089 0.000 2.316 155 E HA 0.278 4.627 4.350 -0.003 0.000 0.275 155 E C -0.515 176.097 176.600 0.020 0.000 1.029 155 E CA -0.217 56.212 56.400 0.048 0.000 0.871 155 E CB 0.545 30.267 29.700 0.036 0.000 1.022 155 E HN 0.483 8.843 8.360 -0.000 0.000 0.418 156 I N 0.543 121.088 120.570 -0.041 0.000 3.042 156 I HA 0.576 4.745 4.170 -0.003 0.000 0.310 156 I C -0.796 175.253 176.117 -0.113 0.000 1.117 156 I CA -1.042 60.169 61.300 -0.149 0.000 1.003 156 I CB 2.271 40.108 38.000 -0.272 0.000 1.228 156 I HN 0.427 8.637 8.210 -0.000 0.000 0.443 157 S N 2.574 118.192 115.700 -0.136 0.000 2.500 157 S HA 0.786 5.254 4.470 -0.003 0.000 0.301 157 S C -0.849 173.686 174.600 -0.109 0.000 1.092 157 S CA -0.588 57.557 58.200 -0.092 0.000 1.030 157 S CB 1.784 64.949 63.200 -0.058 0.000 1.031 157 S HN 0.575 8.885 8.310 -0.000 0.000 0.483 158 V N 3.545 123.408 119.914 -0.085 0.000 2.384 158 V HA 0.546 4.664 4.120 -0.003 0.000 0.287 158 V C -0.134 175.930 176.094 -0.050 0.000 1.020 158 V CA -0.562 61.689 62.300 -0.081 0.000 0.850 158 V CB 1.072 32.839 31.823 -0.093 0.000 0.987 158 V HN 1.030 9.220 8.190 -0.000 0.000 0.436 159 E N 3.793 123.971 120.200 -0.037 0.000 2.185 159 E HA 0.456 4.804 4.350 -0.003 0.000 0.261 159 E C -0.683 175.912 176.600 -0.009 0.000 0.879 159 E CA -0.709 55.679 56.400 -0.021 0.000 0.756 159 E CB 1.600 31.290 29.700 -0.016 0.000 1.152 159 E HN 0.645 9.005 8.360 -0.000 0.000 0.416 160 E N 2.864 123.059 120.200 -0.009 0.000 2.351 160 E HA 0.013 4.362 4.350 -0.003 0.000 0.266 160 E C 0.260 176.856 176.600 -0.007 0.000 1.031 160 E CA -0.061 56.336 56.400 -0.004 0.000 0.911 160 E CB 1.551 31.238 29.700 -0.020 0.000 0.986 160 E HN 0.498 8.858 8.360 -0.000 0.000 0.446 161 V N 3.461 123.376 119.914 0.001 0.000 2.627 161 V HA 0.008 4.126 4.120 -0.003 0.000 0.239 161 V C 0.331 176.417 176.094 -0.013 0.000 1.077 161 V CA 0.934 63.233 62.300 -0.003 0.000 1.103 161 V CB 0.126 31.953 31.823 0.006 0.000 0.802 161 V HN 0.567 8.757 8.190 -0.000 0.000 0.482 162 E N -0.050 120.140 120.200 -0.016 0.000 2.340 162 E HA 0.677 5.026 4.350 -0.003 0.000 0.273 162 E C -0.787 175.775 176.600 -0.063 0.000 0.891 162 E CA -0.671 55.712 56.400 -0.030 0.000 0.757 162 E CB 3.049 32.740 29.700 -0.015 0.000 1.231 162 E HN 0.140 8.500 8.360 -0.000 0.000 0.439 163 R N 0.957 121.403 120.500 -0.090 0.000 2.651 163 R HA 0.741 5.080 4.340 -0.003 0.000 0.278 163 R C -1.224 175.029 176.300 -0.080 0.000 1.010 163 R CA -0.473 55.523 56.100 -0.174 0.000 0.896 163 R CB 2.049 32.155 30.300 -0.323 0.000 1.211 163 R HN 0.724 8.994 8.270 -0.000 0.000 0.456 164 G N 1.999 110.793 108.800 -0.010 0.000 2.340 164 G HA2 0.207 4.165 3.960 -0.003 0.000 0.300 164 G HA3 0.207 4.165 3.960 -0.003 0.000 0.300 164 G C -2.022 172.962 174.900 0.140 0.000 1.488 164 G CA -0.944 44.195 45.100 0.065 0.000 0.878 164 G HN 0.533 8.823 8.290 -0.000 0.000 0.618 165 E N -0.028 120.246 120.200 0.124 0.000 2.248 165 E HA 0.706 5.054 4.350 -0.003 0.000 0.267 165 E C -0.759 175.892 176.600 0.085 0.000 0.877 165 E CA -1.102 55.371 56.400 0.121 0.000 0.759 165 E CB 3.118 32.885 29.700 0.112 0.000 1.182 165 E HN 0.487 8.847 8.360 -0.000 0.000 0.418 166 K N 2.072 122.530 120.400 0.096 0.000 2.513 166 K HA 0.228 4.546 4.320 -0.003 0.000 0.251 166 K C -1.238 175.434 176.600 0.121 0.000 0.939 166 K CA -0.481 55.852 56.287 0.077 0.000 0.793 166 K CB 0.992 33.518 32.500 0.042 0.000 1.241 166 K HN 0.551 8.801 8.250 -0.000 0.000 0.431 167 D N 2.731 123.194 120.400 0.105 0.000 3.051 167 D HA -0.137 4.501 4.640 -0.003 0.000 0.218 167 D C 0.589 177.026 176.300 0.229 0.000 1.129 167 D CA 1.803 55.888 54.000 0.142 0.000 0.868 167 D CB -1.296 39.583 40.800 0.132 0.000 1.100 167 D HN 1.063 9.433 8.370 -0.000 0.000 0.429 168 G N -1.283 107.588 108.800 0.118 0.000 2.179 168 G HA2 -0.328 3.631 3.960 -0.003 0.000 0.260 168 G HA3 -0.328 3.631 3.960 -0.003 0.000 0.260 168 G C 0.109 174.912 174.900 -0.162 0.000 0.977 168 G CA 0.258 45.345 45.100 -0.021 0.000 0.641 168 G HN 0.378 8.668 8.290 -0.000 0.000 0.533 169 F N 2.057 121.976 119.950 -0.050 0.000 2.427 169 F HA 0.656 5.182 4.527 -0.002 0.000 0.346 169 F C 0.742 176.514 175.800 -0.047 0.000 1.120 169 F CA -0.757 57.199 58.000 -0.074 0.000 1.033 169 F CB 2.084 41.033 39.000 -0.085 0.000 1.126 169 F HN -0.007 8.293 8.300 -0.000 0.000 0.462 170 S N 4.163 119.892 115.700 0.049 0.000 2.513 170 S HA 0.643 5.111 4.470 -0.003 0.000 0.276 170 S C -0.169 174.524 174.600 0.155 0.000 1.254 170 S CA -0.753 57.515 58.200 0.114 0.000 1.053 170 S CB 0.721 63.897 63.200 -0.039 0.000 0.958 170 S HN 0.502 8.812 8.310 -0.000 0.000 0.491 171 R N 1.746 122.421 120.500 0.291 0.000 2.574 171 R HA 0.580 4.918 4.340 -0.003 0.000 0.288 171 R C -1.503 174.929 176.300 0.219 0.000 1.004 171 R CA -0.597 55.614 56.100 0.186 0.000 0.895 171 R CB 1.763 32.105 30.300 0.070 0.000 1.191 171 R HN 0.529 8.799 8.270 -0.000 0.000 0.444 172 L N 2.674 124.016 121.223 0.199 0.000 2.441 172 L HA 0.468 4.806 4.340 -0.003 0.000 0.270 172 L C -1.313 175.609 176.870 0.087 0.000 0.973 172 L CA -0.567 54.324 54.840 0.085 0.000 0.842 172 L CB 1.515 43.653 42.059 0.131 0.000 1.239 172 L HN 0.547 8.777 8.230 -0.000 0.000 0.406 173 K N 5.228 125.664 120.400 0.061 0.000 2.274 173 K HA 0.676 4.994 4.320 -0.003 0.000 0.262 173 K C -1.182 175.475 176.600 0.094 0.000 0.961 173 K CA -0.632 55.703 56.287 0.080 0.000 0.833 173 K CB 1.775 34.297 32.500 0.037 0.000 1.102 173 K HN 0.466 8.716 8.250 -0.000 0.000 0.436 174 V N 0.933 120.931 119.914 0.139 0.000 2.864 174 V HA 0.633 4.751 4.120 -0.003 0.000 0.314 174 V C -0.861 175.270 176.094 0.061 0.000 1.073 174 V CA -1.181 61.174 62.300 0.092 0.000 0.956 174 V CB 1.700 33.581 31.823 0.096 0.000 1.023 174 V HN 0.874 9.064 8.190 -0.000 0.000 0.435 175 R N 2.600 123.115 120.500 0.025 0.000 2.294 175 R HA 0.717 5.055 4.340 -0.003 0.000 0.319 175 R C -1.182 175.106 176.300 -0.021 0.000 0.984 175 R CA -0.660 55.449 56.100 0.014 0.000 0.861 175 R CB 1.199 31.505 30.300 0.009 0.000 1.104 175 R HN 0.885 9.155 8.270 -0.000 0.000 0.451 176 I N 4.339 124.889 120.570 -0.034 0.000 2.362 176 I HA 0.298 4.467 4.170 -0.003 0.000 0.289 176 I C -0.245 175.729 176.117 -0.239 0.000 0.994 176 I CA -0.652 60.553 61.300 -0.158 0.000 1.158 176 I CB 1.807 39.694 38.000 -0.189 0.000 1.315 176 I HN 0.424 8.634 8.210 -0.000 0.000 0.451 177 K N 6.455 126.686 120.400 -0.280 0.000 2.244 177 K HA 0.572 4.891 4.320 -0.003 0.000 0.260 177 K C -1.290 175.133 176.600 -0.295 0.000 0.951 177 K CA -0.489 55.695 56.287 -0.172 0.000 0.826 177 K CB 1.243 33.712 32.500 -0.051 0.000 1.108 177 K HN 0.261 8.511 8.250 -0.000 0.000 0.433 178 F N 2.254 122.227 119.950 0.039 0.000 2.403 178 F HA 0.306 4.831 4.527 -0.003 0.000 0.326 178 F C 1.577 177.387 175.800 0.017 0.000 1.081 178 F CA -0.708 57.307 58.000 0.025 0.000 1.041 178 F CB 0.948 39.956 39.000 0.014 0.000 1.234 178 F HN 0.427 8.727 8.300 -0.000 0.000 0.503 179 K N 0.402 120.919 120.400 0.195 0.000 2.148 179 K HA 0.008 4.326 4.320 -0.003 0.000 0.204 179 K C -0.086 176.571 176.600 0.095 0.000 1.050 179 K CA 1.021 57.374 56.287 0.109 0.000 0.942 179 K CB -0.272 32.277 32.500 0.082 0.000 0.724 179 K HN 0.505 8.755 8.250 -0.000 0.000 0.446 180 N N -0.000 118.763 118.700 0.106 0.000 2.321 180 N HA 0.280 5.018 4.740 -0.003 0.000 0.290 180 N C -2.789 172.739 175.510 0.030 0.000 1.212 180 N CA -1.641 51.439 53.050 0.049 0.000 0.767 180 N CB 1.977 40.474 38.487 0.018 0.000 1.494 180 N HN -0.125 8.255 8.380 -0.000 0.000 0.479 181 P HA 0.050 4.470 4.420 -0.000 0.000 0.267 181 P C 0.167 177.401 177.300 -0.111 0.000 1.205 181 P CA 0.038 63.131 63.100 -0.012 0.000 0.765 181 P CB 1.275 32.975 31.700 -0.001 0.000 0.828 182 V N 2.924 122.718 119.914 -0.200 0.000 3.432 182 V HA 0.277 4.395 4.120 -0.003 0.000 0.298 182 V C -0.396 175.275 176.094 -0.705 0.000 1.464 182 V CA 0.311 62.316 62.300 -0.491 0.000 1.046 182 V CB -0.258 31.103 31.823 -0.770 0.000 0.887 182 V HN 0.322 8.512 8.190 -0.000 0.000 0.441 183 F N -0.166 119.703 119.950 -0.135 0.000 2.620 183 F HA 0.709 5.235 4.527 -0.002 0.000 0.320 183 F C -0.072 175.652 175.800 -0.126 0.000 1.069 183 F CA -0.935 56.985 58.000 -0.133 0.000 0.953 183 F CB 1.913 40.823 39.000 -0.151 0.000 1.322 183 F HN -0.207 8.093 8.300 -0.000 0.000 0.479 184 E N -0.044 120.206 120.200 0.084 0.000 2.343 184 E HA 0.341 4.689 4.350 -0.003 0.000 0.278 184 E C -1.803 174.799 176.600 0.003 0.000 0.910 184 E CA -0.842 55.571 56.400 0.023 0.000 0.757 184 E CB 1.861 31.586 29.700 0.041 0.000 1.218 184 E HN 0.422 8.782 8.360 -0.000 0.000 0.435 185 Y N 2.133 122.465 120.300 0.052 0.000 2.442 185 Y HA 0.234 4.782 4.550 -0.002 0.000 0.330 185 Y C 0.193 176.109 175.900 0.028 0.000 1.129 185 Y CA 0.480 58.599 58.100 0.033 0.000 1.365 185 Y CB 0.671 39.144 38.460 0.021 0.000 1.233 185 Y HN 0.230 8.510 8.280 -0.000 0.000 0.529 186 K N 2.593 123.122 120.400 0.216 0.000 2.502 186 K HA 0.265 4.584 4.320 -0.003 0.000 0.257 186 K C -0.845 175.811 176.600 0.094 0.000 0.938 186 K CA -1.223 55.136 56.287 0.121 0.000 0.819 186 K CB 2.101 34.651 32.500 0.084 0.000 1.333 186 K HN 0.397 8.647 8.250 -0.000 0.000 0.434 187 K N 2.404 122.839 120.400 0.058 0.000 2.472 187 K HA 0.028 4.347 4.320 -0.003 0.000 0.280 187 K C 0.074 176.695 176.600 0.034 0.000 1.028 187 K CA 0.218 56.526 56.287 0.036 0.000 1.045 187 K CB 0.261 32.774 32.500 0.021 0.000 0.902 187 K HN 0.491 8.741 8.250 -0.000 0.000 0.478 188 N N 0.000 118.717 118.700 0.028 0.000 1.763 188 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 188 N CA 0.000 53.063 53.050 0.022 0.000 0.885 188 N CB 0.000 38.495 38.487 0.013 0.000 1.341 188 N HN 0.000 8.380 8.380 -0.000 0.000 0.667