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 1bci_1_A DATA FIRST_RESID 16 DATA SEQUENCE YSHKFTVVVL RATKVTKGAF GDMLDTPDPY VELFISTTPD SRKRTRHFNN DATA SEQUENCE DINPVWNETF EFILDPNQEN VLEITLMDAN YVMDETLGTA TFTVSSMKVG DATA SEQUENCE EKKEVPFIFN QVTEMVLEMS LEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 Y HA 0.000 4.601 4.550 0.084 0.000 0.201 16 Y C 0.000 175.946 175.900 0.076 0.000 1.272 16 Y CA 0.000 58.142 58.100 0.070 0.000 1.940 16 Y CB 0.000 38.498 38.460 0.064 0.000 1.050 17 S N -0.962 114.816 115.700 0.129 0.000 2.728 17 S HA 0.082 4.605 4.470 0.089 0.000 0.257 17 S C -1.071 173.611 174.600 0.138 0.000 1.060 17 S CA -0.375 57.880 58.200 0.092 0.000 1.126 17 S CB 1.611 64.823 63.200 0.020 0.000 1.099 17 S HN -0.208 8.191 8.310 0.149 0.000 0.617 18 H N 4.010 123.135 119.070 0.092 0.000 2.467 18 H HA 0.084 4.687 4.556 0.077 0.000 0.326 18 H C -1.820 173.597 175.328 0.149 0.000 1.094 18 H CA -0.039 56.068 56.048 0.097 0.000 1.253 18 H CB 2.063 31.871 29.762 0.076 0.000 1.439 18 H HN -0.561 7.775 8.280 0.279 0.112 0.479 19 K N 6.766 127.264 120.400 0.165 0.000 2.285 19 K HA 0.075 4.552 4.320 0.262 0.000 0.286 19 K C -1.948 174.941 176.600 0.481 0.000 1.072 19 K CA -0.428 56.008 56.287 0.247 0.000 0.913 19 K CB 0.802 33.349 32.500 0.079 0.000 1.067 19 K HN 0.075 8.218 8.250 -0.178 0.000 0.479 20 F N 8.408 128.530 119.950 0.287 0.000 2.496 20 F HA 0.410 5.085 4.527 0.247 0.000 0.341 20 F C -2.230 173.694 175.800 0.207 0.000 1.134 20 F CA -2.800 55.355 58.000 0.257 0.000 0.968 20 F CB 3.023 42.162 39.000 0.232 0.000 1.205 20 F HN 0.128 8.605 8.300 0.460 0.099 0.436 21 T N 9.486 123.963 114.554 -0.128 0.000 2.823 21 T HA 0.354 4.605 4.350 -0.373 -0.125 0.279 21 T C -1.403 173.059 174.700 -0.397 0.000 0.998 21 T CA -1.066 60.856 62.100 -0.296 0.000 0.994 21 T CB 1.769 70.561 68.868 -0.127 0.000 0.960 21 T HN 0.388 8.719 8.240 0.151 0.000 0.448 22 V N 5.619 125.314 119.914 -0.365 0.000 2.864 22 V HA 0.213 4.248 4.120 -0.142 0.000 0.314 22 V C -1.937 174.123 176.094 -0.056 0.000 1.073 22 V CA -1.743 60.449 62.300 -0.181 0.000 0.956 22 V CB 2.966 34.726 31.823 -0.106 0.000 1.023 22 V HN 0.377 8.345 8.190 -0.369 0.000 0.435 23 V N 3.099 123.016 119.914 0.005 0.000 2.568 23 V HA 0.373 4.682 4.120 0.028 -0.173 0.276 23 V C -0.738 175.398 176.094 0.070 0.000 1.002 23 V CA -1.024 61.291 62.300 0.024 0.000 0.879 23 V CB 2.183 33.998 31.823 -0.012 0.000 1.040 23 V HN -0.558 7.643 8.190 0.018 0.000 0.457 24 V N 4.531 124.508 119.914 0.106 0.000 2.420 24 V HA -0.064 4.111 4.120 0.093 0.000 0.274 24 V C -1.273 174.922 176.094 0.167 0.000 1.003 24 V CA 0.230 62.593 62.300 0.104 0.000 1.092 24 V CB -0.770 31.061 31.823 0.013 0.000 1.002 24 V HN -0.179 8.096 8.190 0.142 0.000 0.473 25 L N 7.026 128.340 121.223 0.151 0.000 2.051 25 L HA -0.046 4.373 4.340 0.131 0.000 0.202 25 L C 0.288 177.290 176.870 0.220 0.000 1.097 25 L CA 1.318 56.246 54.840 0.148 0.000 0.762 25 L CB 0.381 42.493 42.059 0.089 0.000 0.913 25 L HN -0.055 8.250 8.230 0.125 0.000 0.447 26 R N -7.203 113.428 120.500 0.217 0.000 2.846 26 R HA 0.269 4.797 4.340 0.313 0.000 0.263 26 R C -1.963 174.523 176.300 0.310 0.000 1.080 26 R CA -1.537 54.712 56.100 0.248 0.000 0.961 26 R CB 2.633 33.001 30.300 0.113 0.000 1.231 26 R HN -0.592 7.780 8.270 0.170 0.000 0.465 27 A N -0.334 122.683 122.820 0.328 0.000 3.200 27 A HA 0.563 5.239 4.320 0.228 -0.220 0.274 27 A C -1.542 176.186 177.584 0.240 0.000 1.220 27 A CA -0.020 52.211 52.037 0.324 0.000 0.904 27 A CB 1.010 20.303 19.000 0.489 0.000 1.415 27 A HN 0.068 8.359 8.150 0.236 0.000 0.630 28 T N -0.959 113.684 114.554 0.148 0.000 2.852 28 T HA 0.290 4.774 4.350 0.113 -0.066 0.281 28 T C 1.074 175.844 174.700 0.117 0.000 0.993 28 T CA -2.356 59.810 62.100 0.111 0.000 0.933 28 T CB 2.041 70.950 68.868 0.068 0.000 1.187 28 T HN -0.253 8.063 8.240 0.126 0.000 0.559 29 K N -3.605 116.852 120.400 0.095 0.000 2.948 29 K HA -0.489 3.881 4.320 0.083 0.000 0.253 29 K C -1.186 175.488 176.600 0.122 0.000 0.970 29 K CA 1.184 57.527 56.287 0.093 0.000 0.716 29 K CB -1.109 31.436 32.500 0.076 0.000 1.249 29 K HN -0.012 8.570 8.250 0.081 -0.284 0.483 30 V N -0.895 119.108 119.914 0.149 0.000 2.425 30 V HA -0.187 4.054 4.120 0.201 0.000 0.276 30 V C 0.438 176.620 176.094 0.146 0.000 1.017 30 V CA 0.562 62.968 62.300 0.178 0.000 1.062 30 V CB -0.306 31.645 31.823 0.213 0.000 0.997 30 V HN -0.865 7.378 8.190 0.147 0.035 0.476 31 T N 9.914 124.552 114.554 0.139 0.000 2.847 31 T HA 0.190 4.605 4.350 0.107 0.000 0.279 31 T C -1.337 173.430 174.700 0.111 0.000 0.984 31 T CA -0.178 61.991 62.100 0.115 0.000 0.988 31 T CB 0.993 69.925 68.868 0.106 0.000 1.040 31 T HN -0.314 8.020 8.240 0.157 0.000 0.528 32 K N 1.742 122.207 120.400 0.108 0.000 3.037 32 K HA 0.072 4.449 4.320 0.096 0.000 0.267 32 K C -1.022 175.668 176.600 0.149 0.000 2.485 32 K CA 0.069 56.425 56.287 0.116 0.000 1.453 32 K CB 0.941 33.514 32.500 0.123 0.000 2.739 32 K HN 0.264 8.577 8.250 0.105 0.000 0.418 33 G N -0.650 108.239 108.800 0.147 0.000 2.260 33 G HA2 -0.089 3.936 3.960 0.108 0.000 0.250 33 G HA3 -0.089 4.000 3.960 0.215 0.000 0.250 33 G C -1.061 173.907 174.900 0.113 0.000 1.340 33 G CA -0.483 44.707 45.100 0.149 0.000 1.056 33 G HN -0.415 7.950 8.290 0.126 0.000 0.471 34 A N -1.186 121.663 122.820 0.048 0.000 2.081 34 A HA 0.279 4.597 4.320 -0.003 0.000 0.214 34 A C 1.209 178.770 177.584 -0.038 0.000 1.158 34 A CA 1.580 53.593 52.037 -0.040 0.000 0.724 34 A CB 0.113 19.029 19.000 -0.140 0.000 0.826 34 A HN 0.247 8.419 8.150 0.037 0.000 0.463 35 F N -1.028 118.939 119.950 0.028 0.000 2.027 35 F HA -0.380 4.164 4.527 0.029 0.000 0.297 35 F C 2.650 178.474 175.800 0.039 0.000 1.129 35 F CA 3.258 61.276 58.000 0.030 0.000 1.195 35 F CB -1.010 38.006 39.000 0.026 0.000 0.960 35 F HN -0.247 8.113 8.300 0.152 0.031 0.485 36 G N -4.612 104.343 108.800 0.258 0.000 2.484 36 G HA2 -0.222 3.838 3.960 0.167 0.000 0.218 36 G HA3 -0.222 3.828 3.960 0.151 0.000 0.218 36 G C 0.634 175.601 174.900 0.112 0.000 1.130 36 G CA 1.352 46.551 45.100 0.165 0.000 0.784 36 G HN 0.138 8.608 8.290 0.299 0.000 0.543 37 D N 1.177 121.632 120.400 0.090 0.000 2.371 37 D HA -0.140 4.658 4.640 0.053 -0.127 0.221 37 D C 1.088 177.404 176.300 0.027 0.000 0.986 37 D CA 1.140 55.170 54.000 0.050 0.000 0.899 37 D CB -0.225 40.595 40.800 0.034 0.000 0.902 37 D HN -0.468 7.818 8.370 0.107 0.149 0.530 38 M N -0.786 118.834 119.600 0.033 0.000 2.108 38 M HA -0.394 4.082 4.480 -0.007 0.000 0.257 38 M C 1.404 177.701 176.300 -0.005 0.000 1.071 38 M CA 2.958 58.265 55.300 0.012 0.000 1.093 38 M CB 0.174 32.797 32.600 0.039 0.000 1.345 38 M HN -0.687 7.458 8.290 0.062 0.183 0.403 39 L N -6.059 115.161 121.223 -0.004 0.000 2.286 39 L HA 0.052 4.362 4.340 -0.049 0.000 0.203 39 L C 0.457 177.321 176.870 -0.010 0.000 1.068 39 L CA 0.131 54.952 54.840 -0.032 0.000 0.811 39 L CB 1.057 43.079 42.059 -0.061 0.000 0.989 39 L HN -0.612 7.625 8.230 0.022 0.005 0.467 40 D N -6.306 114.103 120.400 0.014 0.000 2.890 40 D HA 0.109 4.758 4.640 0.015 0.000 0.306 40 D C -1.284 175.042 176.300 0.044 0.000 1.280 40 D CA -0.532 53.481 54.000 0.021 0.000 0.742 40 D CB 1.306 42.115 40.800 0.016 0.000 1.266 40 D HN -0.769 7.617 8.370 0.027 0.000 0.433 41 T N 2.956 117.537 114.554 0.045 0.000 2.902 41 T HA -0.134 4.252 4.350 0.061 0.000 0.317 41 T C -1.182 173.569 174.700 0.086 0.000 1.064 41 T CA 1.275 63.412 62.100 0.062 0.000 1.130 41 T CB -0.623 68.278 68.868 0.056 0.000 1.073 41 T HN 0.051 8.311 8.240 0.034 0.000 0.524 42 P HA -0.360 4.133 4.420 0.122 0.000 0.270 42 P C -1.935 175.451 177.300 0.143 0.000 1.181 42 P CA 0.795 63.969 63.100 0.124 0.000 0.767 42 P CB 0.313 32.092 31.700 0.131 0.000 0.799 43 D N 0.248 120.742 120.400 0.157 0.000 2.460 43 D HA 0.523 5.342 4.640 0.201 -0.058 0.232 43 D C -1.922 174.532 176.300 0.257 0.000 1.079 43 D CA -2.730 51.385 54.000 0.191 0.000 0.864 43 D CB 0.817 41.708 40.800 0.151 0.000 1.048 43 D HN -0.362 8.474 8.370 0.144 -0.380 0.523 44 P HA 0.020 4.679 4.420 0.400 0.000 0.271 44 P C -1.826 175.841 177.300 0.610 0.000 1.218 44 P CA -0.278 63.111 63.100 0.482 0.000 0.780 44 P CB 0.928 32.983 31.700 0.592 0.000 0.901 45 Y N 1.190 121.666 120.300 0.293 0.000 2.318 45 Y HA 0.102 4.804 4.550 0.254 0.000 0.317 45 Y C -3.208 172.633 175.900 -0.099 0.000 1.290 45 Y CA -0.403 57.782 58.100 0.142 0.000 1.177 45 Y CB 1.584 40.105 38.460 0.102 0.000 1.307 45 Y HN -0.260 8.261 8.280 0.403 0.000 0.428 46 V N 4.827 124.225 119.914 -0.860 0.000 2.997 46 V HA 0.153 3.915 4.120 -0.596 0.000 0.311 46 V C -0.574 174.935 176.094 -0.974 0.000 1.066 46 V CA -1.443 60.343 62.300 -0.857 0.000 1.039 46 V CB 1.584 32.844 31.823 -0.938 0.000 1.081 46 V HN -0.080 7.622 8.190 -0.814 0.000 0.467 47 E N 2.233 122.096 120.200 -0.562 0.000 2.528 47 E HA 0.199 4.315 4.350 -0.390 0.000 0.277 47 E C -2.323 174.186 176.600 -0.152 0.000 0.980 47 E CA -1.143 55.041 56.400 -0.360 0.000 0.796 47 E CB 2.996 32.539 29.700 -0.262 0.000 1.427 47 E HN -0.040 8.066 8.360 -0.424 0.000 0.394 48 L N 6.200 127.352 121.223 -0.119 0.000 2.283 48 L HA 0.204 4.523 4.340 -0.035 0.000 0.287 48 L C -2.210 174.706 176.870 0.075 0.000 1.073 48 L CA -0.138 54.672 54.840 -0.050 0.000 0.822 48 L CB 0.770 42.755 42.059 -0.123 0.000 1.186 48 L HN -0.053 8.061 8.230 -0.194 0.000 0.436 49 F N 5.038 124.896 119.950 -0.153 0.000 2.551 49 F HA 0.739 5.353 4.527 -0.170 -0.188 0.316 49 F C -0.893 174.829 175.800 -0.130 0.000 1.089 49 F CA -1.681 56.231 58.000 -0.145 0.000 0.915 49 F CB 4.625 43.557 39.000 -0.113 0.000 1.186 49 F HN -0.353 8.030 8.300 0.138 0.000 0.456 50 I N -0.722 119.737 120.570 -0.184 0.000 3.074 50 I HA 0.321 4.706 4.170 -0.022 -0.228 0.310 50 I C -1.345 174.704 176.117 -0.113 0.000 1.153 50 I CA -1.559 59.666 61.300 -0.125 0.000 0.993 50 I CB 5.060 42.928 38.000 -0.219 0.000 1.237 50 I HN 0.084 8.024 8.210 -0.451 0.000 0.443 51 S N 2.475 118.140 115.700 -0.060 0.000 2.539 51 S HA 0.403 4.836 4.470 -0.061 0.000 0.235 51 S C -1.023 173.547 174.600 -0.050 0.000 1.326 51 S CA -0.079 58.093 58.200 -0.046 0.000 1.183 51 S CB 0.930 64.124 63.200 -0.010 0.000 1.073 51 S HN 0.026 8.311 8.310 -0.041 0.000 0.480 52 T N 2.608 117.126 114.554 -0.060 0.000 3.598 52 T HA -0.090 4.348 4.350 -0.029 -0.106 0.281 52 T C -1.099 173.585 174.700 -0.028 0.000 0.905 52 T CA 1.333 63.409 62.100 -0.040 0.000 0.800 52 T CB 0.426 69.267 68.868 -0.044 0.000 1.145 52 T HN 0.498 8.690 8.240 -0.080 0.000 0.837 53 T N 5.127 119.645 114.554 -0.060 0.000 2.847 53 T HA 0.268 4.622 4.350 0.006 0.000 0.279 53 T C 0.109 174.768 174.700 -0.069 0.000 0.984 53 T CA -1.834 60.235 62.100 -0.051 0.000 0.988 53 T CB 0.403 69.213 68.868 -0.095 0.000 1.040 53 T HN -0.277 7.905 8.240 -0.096 0.000 0.528 54 P HA -0.154 4.243 4.420 -0.037 0.000 0.215 54 P C -0.846 176.397 177.300 -0.094 0.000 1.163 54 P CA 1.918 64.979 63.100 -0.064 0.000 0.894 54 P CB 0.321 31.974 31.700 -0.079 0.000 0.791 55 D N -3.843 116.475 120.400 -0.135 0.000 2.934 55 D HA 0.231 4.754 4.640 -0.195 0.000 0.249 55 D C -1.330 174.805 176.300 -0.276 0.000 1.293 55 D CA -0.085 53.804 54.000 -0.184 0.000 0.812 55 D CB 1.316 42.037 40.800 -0.132 0.000 1.439 55 D HN -0.472 7.817 8.370 -0.135 0.000 0.555 56 S N 2.318 117.794 115.700 -0.373 0.000 3.919 56 S HA -0.025 4.195 4.470 -0.415 0.000 0.245 56 S C -0.445 173.690 174.600 -0.774 0.000 1.344 56 S CA 0.160 58.056 58.200 -0.505 0.000 0.896 56 S CB -0.877 61.995 63.200 -0.547 0.000 1.557 56 S HN 0.350 8.461 8.310 -0.332 0.000 0.468 57 R N 3.364 123.463 120.500 -0.669 0.000 2.724 57 R HA 0.457 3.767 4.340 -1.717 0.000 0.284 57 R C -0.855 175.280 176.300 -0.274 0.000 1.481 57 R CA -2.528 53.068 56.100 -0.840 0.000 1.652 57 R CB -1.143 28.821 30.300 -0.559 0.000 1.175 57 R HN -0.229 7.747 8.270 -0.429 0.037 0.613 58 K N 1.987 122.242 120.400 -0.242 0.000 2.280 58 K HA 0.564 4.805 4.320 -0.131 0.000 0.234 58 K C -1.712 174.795 176.600 -0.155 0.000 1.028 58 K CA -1.412 54.768 56.287 -0.180 0.000 0.882 58 K CB 3.069 35.415 32.500 -0.256 0.000 1.194 58 K HN -0.059 7.989 8.250 -0.336 0.000 0.458 59 R N -3.355 117.003 120.500 -0.235 0.000 2.752 59 R HA 0.267 4.476 4.340 -0.334 -0.070 0.277 59 R C -1.914 174.205 176.300 -0.303 0.000 1.024 59 R CA -0.781 55.145 56.100 -0.290 0.000 0.866 59 R CB 2.572 32.728 30.300 -0.240 0.000 1.278 59 R HN -0.026 8.089 8.270 -0.258 0.000 0.473 60 T N -0.722 113.594 114.554 -0.397 0.000 2.815 60 T HA 0.288 4.591 4.350 -0.079 0.000 0.289 60 T C -0.332 174.296 174.700 -0.120 0.000 1.000 60 T CA -0.881 61.070 62.100 -0.249 0.000 0.958 60 T CB 2.019 70.608 68.868 -0.464 0.000 0.944 60 T HN 0.089 7.863 8.240 -0.585 0.115 0.442 61 R N 7.347 127.903 120.500 0.094 0.000 2.308 61 R HA 0.015 4.626 4.340 0.452 0.000 0.325 61 R C -0.799 175.591 176.300 0.150 0.000 1.161 61 R CA 0.003 56.225 56.100 0.203 0.000 1.022 61 R CB -0.019 30.338 30.300 0.096 0.000 1.091 61 R HN 0.474 8.793 8.270 0.081 0.000 0.497 62 H N 5.636 124.820 119.070 0.190 0.000 2.935 62 H HA -0.054 4.608 4.556 0.176 0.000 0.326 62 H C -0.295 174.800 175.328 -0.389 0.000 1.164 62 H CA 1.028 57.190 56.048 0.189 0.000 1.661 62 H CB 1.153 31.337 29.762 0.703 0.000 1.650 62 H HN 0.113 8.706 8.280 0.521 0.000 0.801 63 F N -6.258 113.793 119.950 0.169 0.000 3.250 63 F HA 0.041 4.614 4.527 0.076 0.000 0.326 63 F C -2.262 173.592 175.800 0.091 0.000 1.154 63 F CA -0.627 57.398 58.000 0.041 0.000 0.870 63 F CB 3.235 42.160 39.000 -0.125 0.000 1.476 63 F HN -0.551 8.001 8.300 0.421 0.000 0.491 64 N N 0.013 118.891 118.700 0.296 0.000 2.476 64 N HA -0.016 4.915 4.740 0.186 -0.079 0.276 64 N C -1.070 174.522 175.510 0.136 0.000 1.204 64 N CA -1.074 52.086 53.050 0.183 0.000 0.974 64 N CB 0.804 39.370 38.487 0.132 0.000 1.204 64 N HN -0.082 8.512 8.380 0.357 0.000 0.543 65 N N -2.754 116.012 118.700 0.110 0.000 2.527 65 N HA -0.597 4.283 4.740 0.083 -0.090 0.293 65 N C -1.793 173.766 175.510 0.081 0.000 1.283 65 N CA 1.199 54.297 53.050 0.080 0.000 0.702 65 N CB -1.766 36.746 38.487 0.043 0.000 0.937 65 N HN 0.274 8.940 8.380 0.114 -0.218 0.536 66 D N 0.963 121.430 120.400 0.112 0.000 2.205 66 D HA 0.076 4.762 4.640 0.077 0.000 0.168 66 D C -1.170 175.217 176.300 0.146 0.000 1.167 66 D CA 0.312 54.381 54.000 0.115 0.000 0.834 66 D CB 2.525 43.407 40.800 0.136 0.000 2.599 66 D HN -0.262 8.183 8.370 0.125 0.000 0.497 67 I N -4.290 116.347 120.570 0.112 0.000 3.974 67 I HA 0.296 4.561 4.170 0.159 0.000 0.334 67 I C -1.833 174.346 176.117 0.103 0.000 1.437 67 I CA -0.075 61.299 61.300 0.123 0.000 1.113 67 I CB 0.610 38.672 38.000 0.103 0.000 1.063 67 I HN -0.008 8.252 8.210 0.084 0.000 0.400 68 N N -0.477 118.268 118.700 0.074 0.000 2.628 68 N HA 0.390 5.161 4.740 0.052 0.000 0.299 68 N C -1.744 173.755 175.510 -0.019 0.000 1.834 68 N CA -1.681 51.391 53.050 0.037 0.000 0.871 68 N CB 1.027 39.530 38.487 0.027 0.000 1.377 68 N HN -0.127 8.235 8.380 0.077 0.064 0.493 69 P HA 0.094 4.441 4.420 -0.122 0.000 0.276 69 P C -2.403 174.566 177.300 -0.552 0.000 1.261 69 P CA -0.647 62.260 63.100 -0.321 0.000 0.800 69 P CB 1.527 32.877 31.700 -0.583 0.000 1.066 70 V N -3.146 116.323 119.914 -0.741 0.000 2.610 70 V HA 0.109 4.063 4.120 -0.277 0.000 0.298 70 V C -0.831 174.974 176.094 -0.482 0.000 1.067 70 V CA -0.592 61.442 62.300 -0.443 0.000 0.894 70 V CB 2.051 33.777 31.823 -0.161 0.000 1.015 70 V HN -0.056 7.686 8.190 -0.746 0.000 0.432 71 W N 5.591 126.857 121.300 -0.057 0.000 2.728 71 W HA 0.267 4.932 4.660 0.008 0.000 0.270 71 W C -0.327 176.191 176.519 -0.002 0.000 1.150 71 W CA 1.502 58.832 57.345 -0.026 0.000 1.518 71 W CB 1.516 30.951 29.460 -0.042 0.000 1.069 71 W HN -0.037 8.341 8.180 0.330 0.000 0.590 72 N N -2.807 116.047 118.700 0.256 0.000 2.708 72 N HA -0.509 4.319 4.740 0.119 -0.017 0.251 72 N C -1.132 174.420 175.510 0.070 0.000 1.017 72 N CA 1.041 54.166 53.050 0.124 0.000 0.742 72 N CB -2.365 36.159 38.487 0.063 0.000 0.943 72 N HN -0.305 8.185 8.380 0.334 0.091 0.539 73 E N -1.338 118.923 120.200 0.102 0.000 2.146 73 E HA 0.112 4.376 4.350 -0.144 0.000 0.282 73 E C -0.758 175.739 176.600 -0.172 0.000 0.989 73 E CA -0.785 55.573 56.400 -0.071 0.000 0.799 73 E CB 1.563 31.279 29.700 0.027 0.000 1.088 73 E HN -0.579 7.894 8.360 0.209 0.012 0.397 74 T N 7.134 121.488 114.554 -0.333 0.000 2.762 74 T HA 0.508 4.991 4.350 -0.154 -0.226 0.303 74 T C -0.898 173.493 174.700 -0.516 0.000 0.977 74 T CA -0.300 61.624 62.100 -0.293 0.000 0.961 74 T CB 0.124 68.867 68.868 -0.208 0.000 0.944 74 T HN 0.508 8.541 8.240 -0.345 0.000 0.481 75 F N 7.574 127.344 119.950 -0.300 0.000 2.404 75 F HA 0.168 4.448 4.527 -0.410 0.000 0.354 75 F C -1.107 174.151 175.800 -0.902 0.000 1.122 75 F CA -1.134 56.543 58.000 -0.539 0.000 1.080 75 F CB 2.099 40.784 39.000 -0.526 0.000 1.131 75 F HN 0.417 8.700 8.300 -0.029 0.000 0.471 76 E N 3.822 123.657 120.200 -0.609 0.000 2.373 76 E HA -0.036 4.054 4.350 -0.433 0.000 0.263 76 E C -1.071 175.055 176.600 -0.789 0.000 1.073 76 E CA 0.249 56.330 56.400 -0.531 0.000 0.894 76 E CB 1.373 30.928 29.700 -0.242 0.000 1.008 76 E HN 0.418 8.523 8.360 -0.424 0.000 0.420 77 F N 3.318 123.260 119.950 -0.014 0.000 3.228 77 F HA 0.189 4.737 4.527 0.034 0.000 0.390 77 F C -0.992 174.893 175.800 0.142 0.000 1.235 77 F CA -1.128 56.897 58.000 0.041 0.000 1.236 77 F CB 2.142 41.148 39.000 0.009 0.000 1.855 77 F HN 0.035 8.295 8.300 -0.066 0.000 0.647 78 I N 4.511 125.249 120.570 0.281 0.000 2.278 78 I HA 0.329 4.881 4.170 0.299 -0.202 0.296 78 I C -0.595 175.691 176.117 0.283 0.000 1.121 78 I CA 0.148 61.605 61.300 0.263 0.000 1.267 78 I CB -0.091 38.022 38.000 0.187 0.000 1.447 78 I HN 0.026 8.371 8.210 0.224 0.000 0.509 79 L N 1.681 123.085 121.223 0.302 0.000 2.376 79 L HA 0.456 4.989 4.340 0.320 0.000 0.258 79 L C -1.577 175.425 176.870 0.220 0.000 1.013 79 L CA -2.684 52.313 54.840 0.262 0.000 0.822 79 L CB 2.848 45.019 42.059 0.187 0.000 1.388 79 L HN 0.065 8.499 8.230 0.340 0.000 0.413 80 D N 0.482 120.987 120.400 0.175 0.000 2.351 80 D HA 0.203 4.922 4.640 0.130 0.000 0.251 80 D C -0.403 175.921 176.300 0.040 0.000 1.137 80 D CA -0.744 53.317 54.000 0.103 0.000 0.879 80 D CB 1.158 41.987 40.800 0.050 0.000 1.181 80 D HN 0.325 8.851 8.370 0.213 -0.029 0.448 81 P HA 0.241 4.782 4.420 -0.130 -0.199 0.249 81 P C -0.836 176.435 177.300 -0.047 0.000 1.544 81 P CA -0.122 62.922 63.100 -0.094 0.000 0.932 81 P CB 0.018 31.593 31.700 -0.208 0.000 1.524 82 N N -1.749 116.941 118.700 -0.017 0.000 2.376 82 N HA -0.089 4.643 4.740 -0.013 0.000 0.177 82 N C 0.542 176.041 175.510 -0.020 0.000 1.024 82 N CA 1.215 54.257 53.050 -0.013 0.000 0.893 82 N CB -0.171 38.312 38.487 -0.006 0.000 0.980 82 N HN 0.224 8.485 8.380 -0.003 0.117 0.439 83 Q N 0.214 120.001 119.800 -0.022 0.000 2.286 83 Q HA 0.055 4.384 4.340 -0.019 0.000 0.169 83 Q C -0.331 175.647 176.000 -0.038 0.000 1.082 83 Q CA -0.146 55.643 55.803 -0.023 0.000 1.101 83 Q CB 1.337 30.064 28.738 -0.017 0.000 1.877 83 Q HN -0.447 7.790 8.270 -0.018 0.022 0.561 84 E N -0.143 120.035 120.200 -0.037 0.000 2.360 84 E HA 0.004 4.325 4.350 -0.048 0.000 0.253 84 E C -1.326 175.242 176.600 -0.053 0.000 1.189 84 E CA -1.389 54.985 56.400 -0.043 0.000 1.252 84 E CB -0.977 28.703 29.700 -0.033 0.000 1.408 84 E HN 0.329 8.671 8.360 -0.030 0.000 0.464 85 N N 3.420 122.072 118.700 -0.079 0.000 2.328 85 N HA -0.299 4.499 4.740 -0.086 -0.110 0.290 85 N C -1.215 174.250 175.510 -0.074 0.000 1.355 85 N CA 0.886 53.873 53.050 -0.105 0.000 1.009 85 N CB -0.626 37.740 38.487 -0.202 0.000 1.426 85 N HN -0.399 7.881 8.380 -0.086 0.049 0.488 86 V N 2.793 122.686 119.914 -0.035 0.000 2.257 86 V HA 0.126 4.253 4.120 0.013 0.000 0.269 86 V C -1.514 174.604 176.094 0.040 0.000 1.040 86 V CA -2.069 60.233 62.300 0.004 0.000 0.813 86 V CB -0.324 31.497 31.823 -0.003 0.000 1.065 86 V HN -0.086 8.083 8.190 -0.036 0.000 0.457 87 L N 9.110 130.389 121.223 0.093 0.000 2.774 87 L HA -0.134 4.283 4.340 0.129 0.000 0.284 87 L C -1.397 175.540 176.870 0.112 0.000 1.149 87 L CA 0.572 55.501 54.840 0.148 0.000 1.069 87 L CB -0.371 41.849 42.059 0.268 0.000 1.407 87 L HN 0.038 8.328 8.230 0.101 0.000 0.460 88 E N 6.456 126.704 120.200 0.080 0.000 1.924 88 E HA 0.218 4.732 4.350 0.032 -0.145 0.261 88 E C -0.588 176.050 176.600 0.063 0.000 1.088 88 E CA -1.200 55.239 56.400 0.064 0.000 0.909 88 E CB -0.676 29.077 29.700 0.088 0.000 1.112 88 E HN -0.248 8.155 8.360 0.072 0.000 0.425 89 I N 4.769 125.347 120.570 0.014 0.000 2.970 89 I HA 0.092 4.362 4.170 0.007 -0.096 0.310 89 I C 0.031 176.107 176.117 -0.068 0.000 1.010 89 I CA 0.013 61.303 61.300 -0.016 0.000 1.228 89 I CB 1.713 39.700 38.000 -0.021 0.000 1.433 89 I HN 0.099 8.309 8.210 0.001 0.000 0.573 90 T N 2.462 116.956 114.554 -0.099 0.000 3.842 90 T HA 0.193 4.456 4.350 -0.145 0.000 0.336 90 T C -1.924 172.687 174.700 -0.149 0.000 0.900 90 T CA -0.194 61.822 62.100 -0.140 0.000 1.022 90 T CB 1.133 69.897 68.868 -0.172 0.000 1.068 90 T HN 0.052 8.228 8.240 -0.107 0.000 0.464 91 L N 7.826 128.987 121.223 -0.103 0.000 2.325 91 L HA 0.206 4.478 4.340 -0.114 0.000 0.284 91 L C -2.466 174.366 176.870 -0.063 0.000 1.089 91 L CA 0.037 54.848 54.840 -0.047 0.000 0.836 91 L CB -0.355 41.826 42.059 0.204 0.000 1.184 91 L HN 0.435 8.600 8.230 -0.109 0.000 0.444 92 M N 5.462 125.071 119.600 0.015 0.000 2.861 92 M HA 0.306 4.803 4.480 0.029 0.000 0.294 92 M C -2.006 174.451 176.300 0.261 0.000 1.185 92 M CA -0.742 54.638 55.300 0.134 0.000 0.809 92 M CB 4.031 36.785 32.600 0.257 0.000 1.722 92 M HN 0.297 8.559 8.290 -0.045 0.000 0.496 93 D N -0.019 120.494 120.400 0.189 0.000 2.440 93 D HA 0.594 5.571 4.640 0.228 -0.200 0.239 93 D C -0.891 175.405 176.300 -0.006 0.000 1.084 93 D CA -1.448 52.640 54.000 0.146 0.000 0.843 93 D CB 2.906 43.759 40.800 0.087 0.000 1.097 93 D HN -0.092 8.246 8.370 0.111 0.099 0.531 94 A N 7.483 130.284 122.820 -0.031 0.000 2.444 94 A HA 0.067 4.115 4.320 -0.714 -0.157 0.287 94 A C -1.319 176.206 177.584 -0.099 0.000 1.195 94 A CA 0.173 52.025 52.037 -0.309 0.000 0.858 94 A CB -0.084 18.813 19.000 -0.173 0.000 1.117 94 A HN -0.053 8.209 8.150 0.187 0.000 0.521 95 N N 2.469 121.095 118.700 -0.122 0.000 2.681 95 N HA 0.157 4.958 4.740 0.102 0.000 0.311 95 N C -0.097 175.452 175.510 0.065 0.000 1.303 95 N CA -1.549 51.514 53.050 0.021 0.000 0.926 95 N CB 1.221 39.702 38.487 -0.009 0.000 1.136 95 N HN -0.576 7.851 8.380 -0.234 -0.187 0.592 96 Y N -2.502 117.772 120.300 -0.043 0.000 2.445 96 Y HA 0.286 4.813 4.550 -0.039 0.000 0.247 96 Y C -0.656 175.223 175.900 -0.035 0.000 1.129 96 Y CA 0.119 58.200 58.100 -0.032 0.000 1.251 96 Y CB 0.232 38.687 38.460 -0.008 0.000 1.176 96 Y HN -0.019 8.455 8.280 0.324 0.000 0.522 97 V N -2.978 116.572 119.914 -0.607 0.000 3.177 97 V HA 0.167 4.046 4.120 -0.403 0.000 0.219 97 V C -0.722 175.199 176.094 -0.289 0.000 1.344 97 V CA 0.334 62.317 62.300 -0.529 0.000 1.324 97 V CB 1.205 32.581 31.823 -0.744 0.000 1.165 97 V HN -0.340 7.574 8.190 -0.459 0.000 0.510 98 M N 1.092 120.541 119.600 -0.252 0.000 2.277 98 M HA 0.150 4.530 4.480 -0.166 0.000 0.282 98 M C -1.565 174.640 176.300 -0.158 0.000 1.074 98 M CA -0.527 54.667 55.300 -0.176 0.000 0.954 98 M CB 2.999 35.510 32.600 -0.147 0.000 1.672 98 M HN -0.622 7.498 8.290 -0.283 0.000 0.471 99 D N 1.905 122.201 120.400 -0.172 0.000 2.378 99 D HA -0.004 4.653 4.640 -0.207 -0.141 0.238 99 D C -0.380 175.850 176.300 -0.115 0.000 1.180 99 D CA -0.043 53.847 54.000 -0.184 0.000 0.895 99 D CB 0.684 41.346 40.800 -0.230 0.000 1.192 99 D HN 0.050 8.316 8.370 -0.173 0.000 0.438 100 E N 0.926 121.077 120.200 -0.082 0.000 2.255 100 E HA 0.291 4.586 4.350 -0.092 0.000 0.256 100 E C -0.761 175.805 176.600 -0.056 0.000 0.887 100 E CA -1.160 55.196 56.400 -0.073 0.000 0.782 100 E CB 3.115 32.776 29.700 -0.066 0.000 1.214 100 E HN -0.056 8.259 8.360 -0.075 0.000 0.417 101 T N 6.339 120.842 114.554 -0.084 0.000 2.916 101 T HA -0.200 4.102 4.350 -0.079 0.000 0.303 101 T C -0.315 174.302 174.700 -0.139 0.000 1.025 101 T CA 2.201 64.236 62.100 -0.109 0.000 1.142 101 T CB 0.113 68.894 68.868 -0.144 0.000 0.947 101 T HN 0.512 8.693 8.240 -0.098 0.000 0.544 102 L N 5.795 126.914 121.223 -0.173 0.000 2.526 102 L HA 0.420 4.674 4.340 -0.143 0.000 0.210 102 L C 0.248 176.857 176.870 -0.436 0.000 1.048 102 L CA 0.424 55.148 54.840 -0.194 0.000 0.852 102 L CB 1.296 43.311 42.059 -0.074 0.000 1.128 102 L HN 0.277 8.404 8.230 -0.171 0.000 0.482 103 G N -3.888 104.428 108.800 -0.808 0.000 2.505 103 G HA2 0.109 3.407 3.960 -1.103 0.000 0.292 103 G HA3 0.109 1.899 3.960 -3.616 0.000 0.292 103 G C -2.688 171.297 174.900 -1.525 0.000 1.332 103 G CA 0.517 44.523 45.100 -1.823 0.000 1.286 103 G HN -0.647 7.292 8.290 -0.585 0.000 0.606 104 T N 3.209 117.346 114.554 -0.696 0.000 2.923 104 T HA 0.068 4.296 4.350 -0.203 0.000 0.281 104 T C -1.519 173.137 174.700 -0.074 0.000 0.995 104 T CA -2.132 59.809 62.100 -0.264 0.000 0.985 104 T CB 2.079 70.824 68.868 -0.205 0.000 1.114 104 T HN 0.058 7.957 8.240 -0.569 0.000 0.548 105 A N 0.438 123.177 122.820 -0.134 0.000 2.572 105 A HA 0.419 4.598 4.320 -0.234 0.000 0.295 105 A C -2.450 175.031 177.584 -0.170 0.000 1.072 105 A CA -0.890 50.963 52.037 -0.307 0.000 0.691 105 A CB 2.711 21.140 19.000 -0.950 0.000 1.291 105 A HN 0.086 8.162 8.150 -0.124 0.000 0.404 106 T N -2.505 111.994 114.554 -0.092 0.000 2.971 106 T HA 0.837 5.492 4.350 0.048 -0.276 0.304 106 T C -1.425 173.369 174.700 0.157 0.000 1.038 106 T CA -1.449 60.670 62.100 0.031 0.000 1.007 106 T CB 2.443 71.312 68.868 0.001 0.000 1.055 106 T HN -0.117 8.056 8.240 -0.112 0.000 0.451 107 F N 5.612 125.592 119.950 0.049 0.000 2.653 107 F HA 0.216 4.791 4.527 0.080 0.000 0.327 107 F C -1.651 174.157 175.800 0.014 0.000 1.195 107 F CA -0.377 57.671 58.000 0.079 0.000 0.993 107 F CB 3.553 42.656 39.000 0.172 0.000 1.259 107 F HN -0.111 8.330 8.300 0.236 0.000 0.478 108 T N 9.243 123.796 114.554 -0.002 0.000 2.750 108 T HA 0.090 4.700 4.350 0.025 -0.245 0.286 108 T C 0.176 174.979 174.700 0.171 0.000 0.911 108 T CA 0.804 62.918 62.100 0.023 0.000 1.130 108 T CB -0.491 68.321 68.868 -0.094 0.000 0.873 108 T HN 0.296 8.337 8.240 -0.331 0.000 0.536 109 V N 8.219 128.166 119.914 0.054 0.000 3.052 109 V HA -0.079 4.103 4.120 0.104 0.000 0.254 109 V C -0.115 175.851 176.094 -0.213 0.000 1.100 109 V CA -0.407 61.823 62.300 -0.118 0.000 1.112 109 V CB 0.750 32.191 31.823 -0.636 0.000 0.738 109 V HN -0.097 8.072 8.190 -0.035 0.000 0.469 110 S N -0.357 115.222 115.700 -0.200 0.000 2.440 110 S HA -0.252 4.037 4.470 -0.302 0.000 0.238 110 S C 0.145 174.683 174.600 -0.104 0.000 1.010 110 S CA 2.337 60.421 58.200 -0.193 0.000 0.972 110 S CB 0.153 63.272 63.200 -0.134 0.000 0.774 110 S HN -0.655 7.524 8.310 -0.164 0.032 0.501 111 S N 0.111 115.783 115.700 -0.048 0.000 2.158 111 S HA 0.214 4.682 4.470 -0.003 0.000 0.160 111 S C -1.224 173.405 174.600 0.048 0.000 1.693 111 S CA -0.859 57.338 58.200 -0.005 0.000 1.251 111 S CB 0.856 64.046 63.200 -0.015 0.000 1.153 111 S HN -0.806 7.430 8.310 -0.038 0.051 0.439 112 M N 1.110 120.747 119.600 0.062 0.000 2.745 112 M HA 0.217 4.783 4.480 0.143 0.000 0.290 112 M C -0.561 175.790 176.300 0.085 0.000 1.262 112 M CA -0.703 54.663 55.300 0.110 0.000 0.795 112 M CB 4.226 36.899 32.600 0.122 0.000 1.758 112 M HN 0.031 8.343 8.290 0.036 0.000 0.461 113 K N 2.312 122.762 120.400 0.085 0.000 2.997 113 K HA 0.145 4.502 4.320 0.061 0.000 0.249 113 K C -0.940 175.699 176.600 0.065 0.000 1.284 113 K CA -1.254 55.073 56.287 0.066 0.000 1.245 113 K CB -2.439 30.094 32.500 0.056 0.000 1.670 113 K HN 0.158 8.467 8.250 0.098 0.000 0.385 114 V N 0.594 120.559 119.914 0.085 0.000 2.975 114 V HA -0.454 3.728 4.120 0.102 0.000 0.300 114 V C 0.587 176.716 176.094 0.059 0.000 1.186 114 V CA 1.511 63.868 62.300 0.095 0.000 1.311 114 V CB 0.354 32.260 31.823 0.138 0.000 0.917 114 V HN -0.471 7.703 8.190 0.096 0.073 0.512 115 G N 6.364 115.195 108.800 0.051 0.000 3.254 115 G HA2 -0.144 3.830 3.960 0.023 0.000 0.219 115 G HA3 -0.144 3.833 3.960 0.028 0.000 0.219 115 G C -1.468 173.449 174.900 0.027 0.000 0.964 115 G CA -0.066 45.053 45.100 0.031 0.000 0.823 115 G HN 0.087 8.416 8.290 0.065 0.000 0.579 116 E N -1.463 118.758 120.200 0.034 0.000 2.377 116 E HA 0.186 4.548 4.350 0.021 0.000 0.266 116 E C -1.726 174.892 176.600 0.030 0.000 1.111 116 E CA -1.012 55.403 56.400 0.025 0.000 0.889 116 E CB 1.915 31.624 29.700 0.015 0.000 1.644 116 E HN -0.521 7.866 8.360 0.045 0.000 0.464 117 K N -0.274 120.136 120.400 0.017 0.000 2.118 117 K HA 0.046 4.471 4.320 0.028 -0.088 0.240 117 K C -1.126 175.473 176.600 -0.001 0.000 1.035 117 K CA -0.249 56.046 56.287 0.013 0.000 0.899 117 K CB 0.767 33.268 32.500 0.002 0.000 1.085 117 K HN 0.143 8.399 8.250 0.010 0.000 0.498 118 K N -0.556 119.835 120.400 -0.014 0.000 2.668 118 K HA 0.202 4.493 4.320 -0.049 0.000 0.246 118 K C -1.288 175.274 176.600 -0.063 0.000 0.976 118 K CA -0.724 55.532 56.287 -0.052 0.000 0.902 118 K CB 1.414 33.856 32.500 -0.097 0.000 1.172 118 K HN 0.263 8.447 8.250 -0.004 0.064 0.452 119 E N 5.584 125.745 120.200 -0.064 0.000 1.893 119 E HA -0.017 4.301 4.350 -0.055 0.000 0.269 119 E C -0.781 175.740 176.600 -0.132 0.000 1.129 119 E CA 0.145 56.502 56.400 -0.072 0.000 0.904 119 E CB -0.398 29.271 29.700 -0.053 0.000 1.077 119 E HN 0.365 8.691 8.360 -0.056 0.000 0.407 120 V N 6.271 126.074 119.914 -0.186 0.000 2.408 120 V HA 0.195 4.094 4.120 -0.368 0.000 0.267 120 V C -1.683 174.112 176.094 -0.499 0.000 1.047 120 V CA -3.228 58.830 62.300 -0.402 0.000 0.937 120 V CB 0.150 31.670 31.823 -0.505 0.000 0.999 120 V HN -0.025 8.090 8.190 -0.125 0.000 0.472 121 P HA 0.180 4.472 4.420 -0.213 0.000 0.280 121 P C -1.791 175.250 177.300 -0.432 0.000 1.386 121 P CA -0.745 62.158 63.100 -0.328 0.000 0.899 121 P CB -0.555 31.027 31.700 -0.196 0.000 1.098 122 F N 6.121 125.986 119.950 -0.143 0.000 2.311 122 F HA 0.239 4.641 4.527 -0.207 0.000 0.371 122 F C -1.218 174.268 175.800 -0.523 0.000 1.083 122 F CA -1.736 56.091 58.000 -0.289 0.000 1.113 122 F CB 1.201 40.030 39.000 -0.285 0.000 1.349 122 F HN -0.013 8.222 8.300 -0.108 0.000 0.470 123 I N 3.725 124.167 120.570 -0.215 0.000 2.359 123 I HA 0.112 4.264 4.170 -0.292 -0.157 0.294 123 I C -1.095 174.883 176.117 -0.232 0.000 0.987 123 I CA -0.901 60.257 61.300 -0.237 0.000 1.225 123 I CB 1.821 39.782 38.000 -0.065 0.000 1.366 123 I HN 0.052 8.216 8.210 -0.076 0.000 0.466 124 F N 7.800 127.810 119.950 0.101 0.000 2.422 124 F HA 0.148 4.718 4.527 0.071 0.000 0.333 124 F C 0.466 176.303 175.800 0.061 0.000 1.095 124 F CA -1.339 56.705 58.000 0.073 0.000 1.038 124 F CB 1.562 40.598 39.000 0.059 0.000 1.156 124 F HN -0.435 7.688 8.300 -0.119 0.105 0.483 125 N N 0.553 119.407 118.700 0.256 0.000 3.594 125 N HA -0.466 4.348 4.740 0.123 0.000 0.203 125 N C -0.044 175.534 175.510 0.114 0.000 0.298 125 N CA 2.852 55.992 53.050 0.150 0.000 2.288 125 N CB -0.720 37.847 38.487 0.135 0.000 1.381 125 N HN 0.563 9.115 8.380 0.287 0.000 0.377 126 Q N -1.491 118.370 119.800 0.102 0.000 2.093 126 Q HA -0.059 4.320 4.340 0.065 0.000 0.188 126 Q C 0.278 176.316 176.000 0.063 0.000 0.697 126 Q CA 0.829 56.675 55.803 0.072 0.000 0.827 126 Q CB 0.619 29.393 28.738 0.060 0.000 1.250 126 Q HN 0.192 8.523 8.270 0.117 0.009 0.413 127 V N -4.144 115.815 119.914 0.075 0.000 3.174 127 V HA 0.223 4.375 4.120 0.053 0.000 0.254 127 V C -0.011 176.130 176.094 0.078 0.000 1.120 127 V CA -0.436 61.905 62.300 0.068 0.000 1.114 127 V CB 0.120 31.985 31.823 0.069 0.000 0.756 127 V HN -0.365 7.877 8.190 0.087 0.000 0.467 128 T N 5.099 119.718 114.554 0.109 0.000 2.888 128 T HA -0.209 4.415 4.350 0.134 -0.193 0.301 128 T C -1.516 173.208 174.700 0.039 0.000 1.001 128 T CA 2.445 64.622 62.100 0.128 0.000 1.147 128 T CB 0.341 69.368 68.868 0.264 0.000 0.931 128 T HN -0.702 7.614 8.240 0.127 0.000 0.541 129 E N 7.749 127.974 120.200 0.042 0.000 2.241 129 E HA 0.339 4.655 4.350 -0.055 0.000 0.263 129 E C -2.771 173.846 176.600 0.028 0.000 0.882 129 E CA -0.749 55.651 56.400 -0.000 0.000 0.769 129 E CB 3.242 32.953 29.700 0.019 0.000 1.185 129 E HN 0.190 8.602 8.360 0.088 0.000 0.415 130 M N 7.720 127.312 119.600 -0.015 0.000 2.124 130 M HA 0.393 5.029 4.480 0.117 -0.085 0.280 130 M C -2.545 173.801 176.300 0.077 0.000 0.954 130 M CA -0.282 55.058 55.300 0.066 0.000 0.958 130 M CB 3.417 36.067 32.600 0.084 0.000 1.611 130 M HN 0.146 8.386 8.290 -0.084 0.000 0.449 131 V N 7.377 127.337 119.914 0.077 0.000 2.407 131 V HA 0.507 4.842 4.120 0.003 -0.213 0.278 131 V C -1.526 174.620 176.094 0.087 0.000 1.037 131 V CA -1.723 60.605 62.300 0.046 0.000 0.900 131 V CB 0.825 32.657 31.823 0.016 0.000 0.983 131 V HN 0.346 8.591 8.190 0.092 0.000 0.459 132 L N 8.358 129.636 121.223 0.091 0.000 2.319 132 L HA 0.459 4.979 4.340 0.103 -0.118 0.281 132 L C -1.802 175.099 176.870 0.052 0.000 1.005 132 L CA -0.933 53.973 54.840 0.110 0.000 0.828 132 L CB 3.255 45.437 42.059 0.204 0.000 1.227 132 L HN 0.081 8.342 8.230 0.051 0.000 0.415 133 E N 7.537 127.760 120.200 0.038 0.000 2.046 133 E HA 0.454 5.072 4.350 -0.003 -0.270 0.279 133 E C -1.133 175.475 176.600 0.014 0.000 0.989 133 E CA -1.267 55.140 56.400 0.012 0.000 0.798 133 E CB 0.305 30.009 29.700 0.006 0.000 1.086 133 E HN 0.004 8.393 8.360 0.050 0.000 0.399 134 M N 3.727 123.340 119.600 0.022 0.000 2.253 134 M HA 0.392 4.971 4.480 -0.003 -0.100 0.314 134 M C -1.418 174.931 176.300 0.081 0.000 1.019 134 M CA -0.943 54.386 55.300 0.048 0.000 0.932 134 M CB 3.152 35.834 32.600 0.135 0.000 1.606 134 M HN -0.224 8.071 8.290 0.009 0.000 0.430 135 S N 2.382 118.131 115.700 0.082 0.000 2.472 135 S HA 0.462 5.151 4.470 0.090 -0.165 0.303 135 S C -1.258 173.463 174.600 0.202 0.000 1.099 135 S CA -1.421 56.840 58.200 0.102 0.000 1.077 135 S CB 2.815 66.044 63.200 0.048 0.000 1.031 135 S HN 0.174 8.505 8.310 0.035 0.000 0.487 136 L N 3.824 125.173 121.223 0.210 0.000 2.344 136 L HA 0.534 5.142 4.340 0.446 0.000 0.272 136 L C -1.043 175.930 176.870 0.172 0.000 1.035 136 L CA -0.705 54.312 54.840 0.295 0.000 0.807 136 L CB 3.201 45.423 42.059 0.271 0.000 1.237 136 L HN -0.193 8.125 8.230 0.146 0.000 0.442 137 E N 1.240 121.518 120.200 0.129 0.000 2.409 137 E HA 0.292 4.620 4.350 -0.036 0.000 0.280 137 E C -2.605 173.827 176.600 -0.281 0.000 1.079 137 E CA -0.160 56.216 56.400 -0.041 0.000 0.840 137 E CB 4.748 34.450 29.700 0.002 0.000 1.309 137 E HN -0.000 8.510 8.360 0.250 0.000 0.447 138 V N 0.000 119.771 119.914 -0.239 0.000 2.409 138 V HA 0.000 3.954 4.120 -0.276 0.000 0.244 138 V CA 0.000 62.135 62.300 -0.276 0.000 1.235 138 V CB 0.000 31.581 31.823 -0.402 0.000 1.184 138 V HN 0.000 8.108 8.190 -0.137 0.000 0.556