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 2l1i_1_A DATA FIRST_RESID 50 DATA SEQUENCE GSDEEVDSVL FGSLRGHVVG LRYYTGVVNN NEMVALQRDP NNPYDKNAIK DATA SEQUENCE VNNVNGNQVG HLKKELAGAL AYIMDNKLAQ IEGVVPFGAN NAFTMPLHMT DATA SEQUENCE FWGKEENRKA VSDQLKKHGF KL 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 50 G HA2 0.000 nan 3.960 nan 0.000 0.244 50 G HA3 0.000 3.942 3.960 -0.029 0.000 0.244 50 G C 0.000 174.882 174.900 -0.030 0.000 0.946 50 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 51 S N 0.535 116.222 115.700 -0.022 0.000 2.428 51 S HA -0.097 4.359 4.470 -0.024 0.000 0.230 51 S C 0.973 175.562 174.600 -0.019 0.000 1.014 51 S CA 0.995 59.184 58.200 -0.019 0.000 0.957 51 S CB 0.181 63.375 63.200 -0.009 0.000 0.784 51 S HN -0.040 8.259 8.310 -0.017 0.000 0.499 52 D N -0.453 119.937 120.400 -0.017 0.000 2.178 52 D HA -0.219 4.416 4.640 -0.007 0.000 0.201 52 D C 2.025 178.308 176.300 -0.027 0.000 0.980 52 D CA 2.994 56.985 54.000 -0.015 0.000 0.842 52 D CB -0.008 40.785 40.800 -0.012 0.000 0.948 52 D HN 0.294 8.625 8.370 -0.017 0.029 0.472 53 E N -1.774 118.402 120.200 -0.040 0.000 2.028 53 E HA -0.303 4.013 4.350 -0.057 0.000 0.191 53 E C 1.931 178.482 176.600 -0.082 0.000 0.988 53 E CA 2.339 58.703 56.400 -0.060 0.000 0.799 53 E CB -0.317 29.343 29.700 -0.066 0.000 0.755 53 E HN -0.536 7.777 8.360 -0.037 0.025 0.447 54 E N -4.746 115.408 120.200 -0.076 0.000 2.299 54 E HA -0.190 4.078 4.350 -0.137 0.000 0.193 54 E C 1.470 178.028 176.600 -0.069 0.000 0.998 54 E CA 1.342 57.687 56.400 -0.092 0.000 0.851 54 E CB -0.129 29.526 29.700 -0.075 0.000 0.795 54 E HN -0.815 7.509 8.360 -0.060 0.000 0.492 55 V N -0.552 119.340 119.914 -0.037 0.000 2.548 55 V HA -0.264 3.855 4.120 -0.002 0.000 0.249 55 V C 0.721 176.813 176.094 -0.002 0.000 1.055 55 V CA 2.734 65.030 62.300 -0.007 0.000 1.065 55 V CB 0.383 32.213 31.823 0.013 0.000 0.681 55 V HN -0.227 7.913 8.190 -0.034 0.029 0.462 56 D N -1.529 118.858 120.400 -0.022 0.000 2.312 56 D HA -0.204 4.453 4.640 0.029 0.000 0.211 56 D C 0.771 177.037 176.300 -0.056 0.000 0.964 56 D CA 2.621 56.613 54.000 -0.014 0.000 0.877 56 D CB 0.072 40.858 40.800 -0.024 0.000 0.924 56 D HN -0.616 7.733 8.370 -0.034 0.000 0.515 57 S N -3.337 112.286 115.700 -0.128 0.000 2.548 57 S HA 0.052 4.333 4.470 -0.316 0.000 0.215 57 S C -0.013 174.516 174.600 -0.118 0.000 0.976 57 S CA -0.101 57.947 58.200 -0.254 0.000 0.908 57 S CB 0.233 63.197 63.200 -0.394 0.000 0.781 57 S HN -0.322 7.732 8.310 -0.111 0.189 0.519 58 V N -0.748 119.109 119.914 -0.094 0.000 2.644 58 V HA -0.268 3.828 4.120 -0.039 0.000 0.305 58 V C -1.240 174.671 176.094 -0.305 0.000 1.053 58 V CA 0.619 62.853 62.300 -0.110 0.000 1.186 58 V CB 0.518 32.309 31.823 -0.052 0.000 0.895 58 V HN -0.994 6.993 8.190 -0.073 0.159 0.490 59 L N 4.300 125.447 121.223 -0.127 0.000 2.290 59 L HA 0.080 4.458 4.340 -0.188 -0.152 0.284 59 L C -1.485 175.273 176.870 -0.188 0.000 1.078 59 L CA 0.223 54.975 54.840 -0.146 0.000 0.815 59 L CB 0.983 43.072 42.059 0.050 0.000 1.162 59 L HN -0.126 8.095 8.230 -0.015 0.000 0.435 60 F N 4.726 124.755 119.950 0.133 0.000 2.298 60 F HA 0.259 4.855 4.527 0.116 0.000 0.282 60 F C 0.732 176.600 175.800 0.113 0.000 1.045 60 F CA 0.832 58.913 58.000 0.134 0.000 1.280 60 F CB 0.663 39.768 39.000 0.175 0.000 1.114 60 F HN -0.180 7.966 8.300 -0.256 0.000 0.546 61 G N -2.232 106.751 108.800 0.306 0.000 2.542 61 G HA2 0.328 4.365 3.960 0.127 0.000 0.311 61 G HA3 0.328 4.568 3.960 0.466 0.000 0.311 61 G C -2.746 171.903 174.900 -0.418 0.000 1.298 61 G CA -1.115 44.074 45.100 0.148 0.000 0.973 61 G HN -0.419 8.090 8.290 0.366 0.000 0.487 62 S N 1.677 117.181 115.700 -0.326 0.000 2.548 62 S HA 0.686 4.875 4.470 -0.732 -0.158 0.278 62 S C -1.376 173.089 174.600 -0.225 0.000 1.150 62 S CA -0.728 57.214 58.200 -0.431 0.000 0.907 62 S CB 3.082 66.087 63.200 -0.326 0.000 1.108 62 S HN 0.028 8.261 8.310 -0.128 0.000 0.459 63 L N -1.766 119.324 121.223 -0.223 0.000 2.592 63 L HA 0.331 4.602 4.340 -0.116 0.000 0.258 63 L C -2.431 174.351 176.870 -0.146 0.000 0.926 63 L CA 0.460 55.224 54.840 -0.128 0.000 0.885 63 L CB 1.782 43.812 42.059 -0.049 0.000 1.380 63 L HN -0.060 7.985 8.230 -0.308 0.000 0.415 64 R N 0.952 121.359 120.500 -0.154 0.000 2.832 64 R HA 0.359 4.591 4.340 -0.180 0.000 0.271 64 R C -0.420 175.753 176.300 -0.212 0.000 0.996 64 R CA -1.500 54.482 56.100 -0.197 0.000 0.977 64 R CB 1.968 32.117 30.300 -0.253 0.000 1.168 64 R HN 0.167 8.354 8.270 -0.138 0.000 0.482 65 G N -0.920 107.729 108.800 -0.253 0.000 2.798 65 G HA2 0.270 4.067 3.960 -0.273 0.000 0.286 65 G HA3 0.270 4.149 3.960 -0.136 0.000 0.286 65 G C -0.923 173.742 174.900 -0.392 0.000 1.389 65 G CA -0.131 44.810 45.100 -0.265 0.000 0.894 65 G HN -0.044 8.105 8.290 -0.235 0.000 0.488 66 H N -2.002 117.055 119.070 -0.021 0.000 2.486 66 H HA 0.090 4.631 4.556 -0.025 0.000 0.284 66 H C -0.306 175.017 175.328 -0.009 0.000 1.103 66 H CA -0.358 55.679 56.048 -0.018 0.000 1.089 66 H CB 0.405 30.157 29.762 -0.016 0.000 1.603 66 H HN 0.062 8.334 8.280 -0.014 0.000 0.557 67 V N 4.391 124.334 119.914 0.049 0.000 2.339 67 V HA 0.014 4.175 4.120 0.067 0.000 0.261 67 V C -1.516 174.591 176.094 0.022 0.000 1.058 67 V CA -0.488 61.837 62.300 0.041 0.000 0.897 67 V CB -1.676 30.157 31.823 0.016 0.000 1.052 67 V HN -0.528 7.585 8.190 -0.005 0.074 0.480 68 V N 1.963 121.914 119.914 0.061 0.000 3.177 68 V HA 0.630 4.986 4.120 0.002 -0.235 0.319 68 V C 0.100 176.285 176.094 0.151 0.000 1.125 68 V CA -3.803 58.545 62.300 0.079 0.000 1.029 68 V CB 2.246 34.144 31.823 0.125 0.000 1.119 68 V HN -0.648 7.593 8.190 0.085 0.000 0.452 69 G N -2.001 106.966 108.800 0.279 0.000 2.522 69 G HA2 0.161 4.243 3.960 0.204 0.000 0.304 69 G HA3 0.161 4.394 3.960 0.454 0.000 0.304 69 G C -0.442 174.623 174.900 0.276 0.000 1.210 69 G CA -0.947 44.345 45.100 0.320 0.000 0.960 69 G HN -0.123 8.364 8.290 0.328 0.000 0.497 70 L N -1.021 120.296 121.223 0.156 0.000 2.042 70 L HA -0.263 4.151 4.340 0.123 0.000 0.210 70 L C 2.753 179.647 176.870 0.040 0.000 1.076 70 L CA 2.585 57.475 54.840 0.084 0.000 0.749 70 L CB -0.062 41.998 42.059 0.003 0.000 0.893 70 L HN 0.019 8.326 8.230 0.130 0.000 0.432 71 R N -0.254 120.191 120.500 -0.092 0.000 2.120 71 R HA -0.282 3.936 4.340 -0.204 0.000 0.234 71 R C 0.665 176.764 176.300 -0.335 0.000 1.123 71 R CA 2.489 58.392 56.100 -0.328 0.000 0.975 71 R CB -0.136 29.765 30.300 -0.665 0.000 0.866 71 R HN 0.081 8.314 8.270 -0.061 0.000 0.446 72 Y N -6.292 114.059 120.300 0.086 0.000 2.708 72 Y HA 0.123 4.706 4.550 0.055 0.000 0.287 72 Y C 0.390 176.352 175.900 0.104 0.000 1.145 72 Y CA -2.330 55.813 58.100 0.072 0.000 1.249 72 Y CB -1.054 37.431 38.460 0.042 0.000 1.152 72 Y HN -0.876 7.301 8.280 0.086 0.155 0.532 73 Y N 2.327 122.689 120.300 0.104 0.000 2.241 73 Y HA -0.367 4.241 4.550 0.096 0.000 0.286 73 Y C 0.740 176.695 175.900 0.091 0.000 1.166 73 Y CA 2.792 60.943 58.100 0.084 0.000 1.203 73 Y CB -0.175 38.312 38.460 0.044 0.000 0.977 73 Y HN -0.812 7.533 8.280 0.263 0.093 0.529 74 T N -2.780 111.789 114.554 0.025 0.000 2.803 74 T HA -0.269 4.029 4.350 -0.086 0.000 0.269 74 T C 0.849 175.547 174.700 -0.004 0.000 1.052 74 T CA 1.686 63.781 62.100 -0.008 0.000 1.136 74 T CB 0.106 69.035 68.868 0.102 0.000 0.864 74 T HN -0.269 8.030 8.240 0.144 0.028 0.467 75 G N 1.258 110.083 108.800 0.041 0.000 2.135 75 G HA2 -0.312 3.688 3.960 0.068 0.000 0.183 75 G HA3 -0.312 3.685 3.960 0.063 0.000 0.183 75 G C -1.302 173.661 174.900 0.105 0.000 1.004 75 G CA -0.179 44.964 45.100 0.071 0.000 0.677 75 G HN -0.070 8.117 8.290 0.075 0.148 0.512 76 V N -5.427 114.546 119.914 0.098 0.000 2.994 76 V HA 0.277 4.411 4.120 0.024 0.000 0.318 76 V C -2.213 173.908 176.094 0.045 0.000 1.085 76 V CA -2.202 60.119 62.300 0.035 0.000 0.998 76 V CB 2.776 34.562 31.823 -0.063 0.000 1.063 76 V HN -1.023 7.239 8.190 0.121 0.000 0.447 77 V N 0.372 120.278 119.914 -0.013 0.000 2.656 77 V HA 0.164 4.307 4.120 0.039 0.000 0.307 77 V C -1.528 174.553 176.094 -0.021 0.000 1.051 77 V CA -1.340 60.952 62.300 -0.013 0.000 0.893 77 V CB 3.114 34.898 31.823 -0.065 0.000 0.999 77 V HN -0.107 8.053 8.190 -0.051 0.000 0.426 78 N N 4.400 123.112 118.700 0.019 0.000 2.476 78 N HA -0.004 4.716 4.740 -0.033 0.000 0.275 78 N C -0.022 175.482 175.510 -0.010 0.000 1.190 78 N CA -0.841 52.209 53.050 -0.000 0.000 0.977 78 N CB 2.265 40.770 38.487 0.032 0.000 1.200 78 N HN -0.027 8.395 8.380 0.070 0.000 0.515 79 N N -0.656 118.033 118.700 -0.018 0.000 2.223 79 N HA -0.263 4.458 4.740 -0.032 0.000 0.185 79 N C 0.794 176.300 175.510 -0.006 0.000 1.016 79 N CA 2.433 55.471 53.050 -0.020 0.000 0.863 79 N CB -0.211 38.264 38.487 -0.020 0.000 0.983 79 N HN 0.515 8.882 8.380 -0.022 0.000 0.429 80 N N -1.907 116.798 118.700 0.008 0.000 2.300 80 N HA -0.045 4.703 4.740 0.014 0.000 0.179 80 N C 0.174 175.699 175.510 0.026 0.000 1.016 80 N CA 1.794 54.855 53.050 0.018 0.000 0.876 80 N CB 0.429 38.931 38.487 0.025 0.000 0.979 80 N HN -0.374 8.336 8.380 0.010 -0.324 0.432 81 E N -3.242 116.978 120.200 0.033 0.000 2.511 81 E HA -0.069 4.309 4.350 0.047 0.000 0.196 81 E C 0.017 176.602 176.600 -0.025 0.000 1.066 81 E CA -0.493 55.925 56.400 0.031 0.000 0.871 81 E CB -0.900 28.853 29.700 0.089 0.000 0.863 81 E HN 0.069 8.342 8.360 0.033 0.107 0.520 82 M N -3.183 116.406 119.600 -0.019 0.000 2.234 82 M HA -0.281 4.175 4.480 -0.039 0.000 0.326 82 M C 0.009 176.294 176.300 -0.025 0.000 1.077 82 M CA 1.373 56.657 55.300 -0.026 0.000 1.052 82 M CB 0.449 33.039 32.600 -0.015 0.000 1.607 82 M HN -0.822 7.394 8.290 -0.009 0.069 0.445 83 V N -3.357 116.540 119.914 -0.029 0.000 2.435 83 V HA 0.411 4.520 4.120 -0.019 0.000 0.290 83 V C -2.309 173.784 176.094 -0.002 0.000 1.030 83 V CA -1.757 60.530 62.300 -0.022 0.000 0.881 83 V CB 1.009 32.810 31.823 -0.036 0.000 0.983 83 V HN -0.061 8.108 8.190 -0.034 0.000 0.445 84 A N 6.609 129.435 122.820 0.010 0.000 2.532 84 A HA 0.353 4.692 4.320 0.032 0.000 0.296 84 A C -1.675 175.924 177.584 0.026 0.000 1.058 84 A CA -0.154 51.899 52.037 0.027 0.000 0.729 84 A CB 2.682 21.704 19.000 0.038 0.000 1.285 84 A HN 0.078 8.232 8.150 0.005 0.000 0.396 85 L N 0.168 121.408 121.223 0.028 0.000 2.464 85 L HA 0.444 4.799 4.340 0.026 0.000 0.266 85 L C -2.076 174.810 176.870 0.028 0.000 0.965 85 L CA 0.061 54.913 54.840 0.020 0.000 0.833 85 L CB 1.779 43.835 42.059 -0.004 0.000 1.296 85 L HN -0.050 8.202 8.230 0.037 0.000 0.405 86 Q N 1.960 121.781 119.800 0.035 0.000 2.487 86 Q HA 0.098 4.453 4.340 0.026 0.000 0.234 86 Q C -1.467 174.561 176.000 0.047 0.000 0.828 86 Q CA 0.216 56.041 55.803 0.037 0.000 0.907 86 Q CB 1.895 30.659 28.738 0.044 0.000 1.462 86 Q HN 0.140 8.434 8.270 0.041 0.000 0.442 87 R N 4.017 124.545 120.500 0.047 0.000 2.919 87 R HA 0.451 4.835 4.340 0.074 0.000 0.260 87 R C -1.557 174.768 176.300 0.042 0.000 1.067 87 R CA -2.586 53.556 56.100 0.071 0.000 1.003 87 R CB 2.712 33.092 30.300 0.133 0.000 1.192 87 R HN 0.157 8.584 8.270 0.030 -0.139 0.488 88 D N 1.149 121.574 120.400 0.043 0.000 2.424 88 D HA 0.089 4.736 4.640 0.012 0.000 0.244 88 D C 0.224 176.531 176.300 0.013 0.000 1.134 88 D CA -0.039 53.973 54.000 0.020 0.000 0.881 88 D CB 0.876 41.684 40.800 0.013 0.000 1.191 88 D HN 0.264 8.668 8.370 0.057 0.000 0.445 89 P HA -0.117 4.449 4.420 -0.026 -0.161 0.222 89 P C -0.643 176.649 177.300 -0.014 0.000 1.147 89 P CA 1.616 64.704 63.100 -0.020 0.000 0.790 89 P CB 0.414 32.093 31.700 -0.035 0.000 0.780 90 N N -3.854 114.843 118.700 -0.005 0.000 2.395 90 N HA -0.110 4.626 4.740 -0.006 0.000 0.175 90 N C -0.366 175.150 175.510 0.011 0.000 1.029 90 N CA 0.243 53.292 53.050 -0.001 0.000 0.897 90 N CB 0.851 39.337 38.487 -0.002 0.000 0.991 90 N HN -0.107 8.228 8.380 -0.002 0.043 0.441 91 N N 2.033 120.747 118.700 0.024 0.000 2.430 91 N HA 0.271 5.036 4.740 0.042 0.000 0.265 91 N C -1.219 174.329 175.510 0.064 0.000 1.100 91 N CA -1.089 51.992 53.050 0.052 0.000 0.961 91 N CB 0.532 39.063 38.487 0.074 0.000 1.075 91 N HN -0.565 7.723 8.380 0.022 0.106 0.478 92 P HA 0.095 4.527 4.420 0.020 0.000 0.245 92 P C 0.397 177.735 177.300 0.064 0.000 1.212 92 P CA 0.681 63.807 63.100 0.043 0.000 0.774 92 P CB 0.013 31.731 31.700 0.030 0.000 0.999 93 Y N 1.923 122.216 120.300 -0.012 0.000 2.333 93 Y HA -0.349 4.195 4.550 -0.009 0.000 0.290 93 Y C 1.067 176.959 175.900 -0.013 0.000 1.144 93 Y CA 2.363 60.457 58.100 -0.011 0.000 1.228 93 Y CB -0.079 38.376 38.460 -0.009 0.000 0.985 93 Y HN -0.149 8.187 8.280 0.212 0.072 0.542 94 D N -1.896 118.519 120.400 0.024 0.000 2.265 94 D HA -0.385 4.240 4.640 -0.026 0.000 0.208 94 D C 1.168 177.403 176.300 -0.109 0.000 0.977 94 D CA 3.253 57.232 54.000 -0.036 0.000 0.871 94 D CB -0.095 40.709 40.800 0.005 0.000 0.925 94 D HN -0.456 7.944 8.370 0.104 0.033 0.485 95 K N -2.409 117.924 120.400 -0.111 0.000 2.113 95 K HA -0.444 3.825 4.320 -0.086 0.000 0.208 95 K C 2.129 178.644 176.600 -0.141 0.000 1.047 95 K CA 3.080 59.303 56.287 -0.107 0.000 0.928 95 K CB -0.536 31.915 32.500 -0.081 0.000 0.716 95 K HN -0.676 7.479 8.250 -0.086 0.043 0.446 96 N N -0.911 117.653 118.700 -0.227 0.000 2.216 96 N HA -0.249 4.393 4.740 -0.162 0.000 0.183 96 N C 1.504 176.903 175.510 -0.186 0.000 1.017 96 N CA 2.755 55.666 53.050 -0.232 0.000 0.861 96 N CB 0.035 38.302 38.487 -0.367 0.000 0.986 96 N HN -0.607 7.575 8.380 -0.301 0.017 0.428 97 A N -0.382 122.318 122.820 -0.199 0.000 1.851 97 A HA -0.294 3.969 4.320 -0.095 0.000 0.216 97 A C 2.255 179.791 177.584 -0.079 0.000 1.195 97 A CA 3.053 55.023 52.037 -0.111 0.000 0.622 97 A CB -0.216 18.742 19.000 -0.069 0.000 0.831 97 A HN -0.725 7.181 8.150 -0.261 0.087 0.444 98 I N -6.273 114.247 120.570 -0.084 0.000 3.001 98 I HA -0.321 3.804 4.170 -0.074 0.000 0.268 98 I C 1.375 177.444 176.117 -0.080 0.000 1.267 98 I CA 2.304 63.554 61.300 -0.083 0.000 1.472 98 I CB -0.794 37.149 38.000 -0.095 0.000 1.089 98 I HN -0.116 8.038 8.210 -0.094 0.000 0.468 99 K N 0.712 121.064 120.400 -0.080 0.000 2.155 99 K HA -0.177 4.106 4.320 -0.062 0.000 0.203 99 K C 0.738 177.305 176.600 -0.055 0.000 1.052 99 K CA 1.952 58.198 56.287 -0.067 0.000 0.948 99 K CB 0.336 32.792 32.500 -0.073 0.000 0.728 99 K HN -0.487 7.563 8.250 -0.093 0.145 0.448 100 V N 2.388 122.269 119.914 -0.056 0.000 2.475 100 V HA -0.257 3.836 4.120 -0.045 0.000 0.292 100 V C -2.035 174.038 176.094 -0.035 0.000 1.003 100 V CA 0.180 62.453 62.300 -0.044 0.000 1.120 100 V CB 0.847 32.645 31.823 -0.041 0.000 0.937 100 V HN -0.630 7.521 8.190 -0.065 0.000 0.476 101 N N 7.173 125.851 118.700 -0.037 0.000 2.503 101 N HA -0.153 4.571 4.740 -0.026 0.000 0.267 101 N C -0.987 174.494 175.510 -0.050 0.000 1.214 101 N CA -0.535 52.492 53.050 -0.037 0.000 0.959 101 N CB 0.962 39.424 38.487 -0.042 0.000 1.142 101 N HN -0.091 8.266 8.380 -0.038 0.000 0.455 102 N N -1.962 116.704 118.700 -0.056 0.000 2.467 102 N HA -0.014 4.677 4.740 -0.081 0.000 0.262 102 N C 0.418 175.854 175.510 -0.124 0.000 1.234 102 N CA -0.762 52.238 53.050 -0.084 0.000 0.952 102 N CB 0.835 39.272 38.487 -0.083 0.000 1.158 102 N HN -0.072 8.281 8.380 -0.045 0.000 0.463 103 V N 0.353 120.153 119.914 -0.189 0.000 2.270 103 V HA -0.375 3.568 4.120 -0.296 0.000 0.245 103 V C 0.466 176.406 176.094 -0.257 0.000 1.043 103 V CA 3.634 65.740 62.300 -0.323 0.000 1.014 103 V CB 0.584 32.062 31.823 -0.575 0.000 0.645 103 V HN 0.508 8.591 8.190 -0.178 0.000 0.447 104 N N -4.333 114.247 118.700 -0.200 0.000 2.402 104 N HA -0.103 4.669 4.740 -0.100 -0.091 0.174 104 N C 1.420 176.861 175.510 -0.115 0.000 1.027 104 N CA 1.761 54.733 53.050 -0.130 0.000 0.891 104 N CB -0.787 37.630 38.487 -0.116 0.000 1.016 104 N HN -0.032 8.227 8.380 -0.202 0.000 0.439 105 G N -2.389 106.339 108.800 -0.120 0.000 2.744 105 G HA2 -0.194 3.772 3.960 -0.129 0.000 0.211 105 G HA3 -0.194 3.704 3.960 -0.104 0.000 0.211 105 G C 1.004 175.857 174.900 -0.078 0.000 1.143 105 G CA 0.051 45.086 45.100 -0.108 0.000 0.788 105 G HN 0.223 8.436 8.290 -0.129 0.000 0.534 106 N N 1.011 119.668 118.700 -0.072 0.000 2.251 106 N HA -0.465 4.239 4.740 -0.060 0.000 0.196 106 N C 1.748 177.222 175.510 -0.061 0.000 0.993 106 N CA 3.068 56.082 53.050 -0.060 0.000 0.896 106 N CB -0.001 38.456 38.487 -0.049 0.000 0.994 106 N HN -0.347 7.902 8.380 -0.084 0.081 0.452 107 Q N -0.762 119.009 119.800 -0.047 0.000 2.376 107 Q HA -0.295 4.017 4.340 -0.048 0.000 0.211 107 Q C 2.112 178.104 176.000 -0.012 0.000 0.986 107 Q CA 2.058 57.845 55.803 -0.026 0.000 0.886 107 Q CB -0.673 28.070 28.738 0.009 0.000 0.927 107 Q HN 0.062 8.267 8.270 -0.045 0.038 0.457 108 V N -4.454 115.449 119.914 -0.019 0.000 2.688 108 V HA -0.419 3.729 4.120 0.046 0.000 0.256 108 V C 1.387 177.486 176.094 0.008 0.000 1.084 108 V CA 2.586 64.896 62.300 0.016 0.000 1.103 108 V CB -0.817 31.018 31.823 0.020 0.000 0.688 108 V HN 0.139 8.117 8.190 -0.036 0.190 0.480 109 G N -1.086 107.670 108.800 -0.073 0.000 2.475 109 G HA2 -0.423 3.504 3.960 -0.056 0.000 0.220 109 G HA3 -0.423 3.435 3.960 -0.171 0.000 0.220 109 G C 0.859 175.715 174.900 -0.072 0.000 1.125 109 G CA 2.428 47.465 45.100 -0.105 0.000 0.755 109 G HN -0.311 7.861 8.290 -0.098 0.059 0.565 110 H N 1.504 120.589 119.070 0.025 0.000 2.293 110 H HA -0.278 4.294 4.556 0.027 0.000 0.300 110 H C 2.407 177.760 175.328 0.043 0.000 1.082 110 H CA 2.432 58.498 56.048 0.031 0.000 1.308 110 H CB -0.020 29.760 29.762 0.031 0.000 1.375 110 H HN -0.813 7.347 8.280 -0.160 0.024 0.495 111 L N -1.417 119.913 121.223 0.179 0.000 2.291 111 L HA -0.154 4.268 4.340 0.136 0.000 0.214 111 L C 1.206 178.136 176.870 0.099 0.000 1.120 111 L CA 1.644 56.567 54.840 0.138 0.000 0.799 111 L CB -0.168 41.982 42.059 0.151 0.000 0.925 111 L HN -0.298 8.041 8.230 0.182 0.000 0.446 112 K N -2.889 117.553 120.400 0.071 0.000 2.432 112 K HA -0.289 4.039 4.320 0.013 0.000 0.196 112 K C 1.697 178.312 176.600 0.024 0.000 1.038 112 K CA 2.332 58.636 56.287 0.028 0.000 0.986 112 K CB -0.580 31.924 32.500 0.007 0.000 0.782 112 K HN 0.088 8.230 8.250 0.070 0.150 0.485 113 K N -0.081 120.352 120.400 0.055 0.000 2.002 113 K HA -0.314 4.045 4.320 0.064 0.000 0.209 113 K C 1.627 178.313 176.600 0.144 0.000 1.048 113 K CA 3.206 59.541 56.287 0.080 0.000 0.930 113 K CB -0.497 32.049 32.500 0.076 0.000 0.714 113 K HN -0.618 7.641 8.250 0.066 0.030 0.438 114 E N -0.645 119.642 120.200 0.145 0.000 2.038 114 E HA -0.264 4.398 4.350 0.519 0.000 0.195 114 E C 2.629 179.230 176.600 0.001 0.000 1.000 114 E CA 3.072 59.590 56.400 0.197 0.000 0.803 114 E CB -0.484 29.276 29.700 0.101 0.000 0.750 114 E HN -0.528 7.897 8.360 0.109 0.000 0.448 115 L N -2.474 118.722 121.223 -0.045 0.000 2.362 115 L HA -0.201 4.020 4.340 -0.198 0.000 0.219 115 L C 2.291 179.063 176.870 -0.163 0.000 1.134 115 L CA 1.950 56.700 54.840 -0.150 0.000 0.807 115 L CB -0.577 41.381 42.059 -0.168 0.000 0.927 115 L HN -0.180 7.990 8.230 0.005 0.063 0.447 116 A N -0.211 122.541 122.820 -0.114 0.000 1.873 116 A HA -0.225 4.033 4.320 -0.103 0.000 0.215 116 A C 1.806 179.273 177.584 -0.195 0.000 1.186 116 A CA 3.187 55.158 52.037 -0.109 0.000 0.616 116 A CB -1.175 17.804 19.000 -0.036 0.000 0.823 116 A HN -0.102 7.789 8.150 -0.057 0.225 0.442 117 G N -2.592 105.961 108.800 -0.412 0.000 2.408 117 G HA2 -0.236 3.497 3.960 -0.378 0.000 0.215 117 G HA3 -0.236 2.693 3.960 -1.718 0.000 0.215 117 G C 0.818 175.426 174.900 -0.486 0.000 1.156 117 G CA 1.083 45.752 45.100 -0.719 0.000 0.793 117 G HN -0.067 7.996 8.290 -0.378 0.000 0.535 118 A N 2.649 125.220 122.820 -0.415 0.000 1.897 118 A HA 0.064 4.415 4.320 -0.180 -0.139 0.215 118 A C 1.801 179.332 177.584 -0.087 0.000 1.181 118 A CA 2.382 54.296 52.037 -0.204 0.000 0.620 118 A CB -0.191 18.701 19.000 -0.180 0.000 0.821 118 A HN 0.137 7.948 8.150 -0.434 0.079 0.443 119 L N -2.178 118.954 121.223 -0.153 0.000 2.240 119 L HA -0.145 4.121 4.340 -0.122 0.000 0.211 119 L C 2.075 178.888 176.870 -0.095 0.000 1.106 119 L CA 1.601 56.360 54.840 -0.135 0.000 0.793 119 L CB -0.967 40.984 42.059 -0.181 0.000 0.927 119 L HN -0.196 7.798 8.230 -0.197 0.117 0.446 120 A N 0.971 123.736 122.820 -0.091 0.000 1.883 120 A HA -0.344 3.938 4.320 -0.064 0.000 0.217 120 A C 1.781 179.349 177.584 -0.028 0.000 1.186 120 A CA 2.985 54.985 52.037 -0.061 0.000 0.624 120 A CB -0.760 18.200 19.000 -0.067 0.000 0.822 120 A HN -0.543 7.531 8.150 -0.126 0.000 0.444 121 Y N -0.875 119.352 120.300 -0.122 0.000 2.114 121 Y HA -0.385 4.119 4.550 -0.076 0.000 0.284 121 Y C 1.728 177.580 175.900 -0.080 0.000 1.143 121 Y CA 3.195 61.237 58.100 -0.096 0.000 1.135 121 Y CB 0.173 38.566 38.460 -0.111 0.000 0.980 121 Y HN -0.744 7.577 8.280 0.069 0.000 0.499 122 I N -0.971 119.483 120.570 -0.192 0.000 2.226 122 I HA -0.601 3.304 4.170 -0.442 0.000 0.245 122 I C 2.078 178.071 176.117 -0.206 0.000 1.100 122 I CA 3.716 64.868 61.300 -0.246 0.000 1.374 122 I CB 0.026 37.982 38.000 -0.074 0.000 1.057 122 I HN -0.168 8.054 8.210 0.019 0.000 0.413 123 M N -4.019 115.497 119.600 -0.140 0.000 2.476 123 M HA -0.274 4.161 4.480 -0.075 0.000 0.262 123 M C 1.295 177.534 176.300 -0.102 0.000 1.079 123 M CA 0.600 55.843 55.300 -0.095 0.000 1.104 123 M CB -1.482 31.078 32.600 -0.065 0.000 1.409 123 M HN -0.120 8.096 8.290 -0.124 0.000 0.467 124 D N 1.005 121.316 120.400 -0.149 0.000 2.144 124 D HA -0.144 4.441 4.640 -0.092 0.000 0.207 124 D C 2.069 178.262 176.300 -0.177 0.000 0.970 124 D CA 2.746 56.661 54.000 -0.142 0.000 0.853 124 D CB 0.684 41.401 40.800 -0.140 0.000 1.007 124 D HN -0.530 7.711 8.370 -0.182 0.020 0.469 125 N N 0.231 118.746 118.700 -0.308 0.000 2.484 125 N HA 0.031 4.643 4.740 -0.214 0.000 0.245 125 N C 0.516 175.906 175.510 -0.200 0.000 1.184 125 N CA -0.056 52.803 53.050 -0.317 0.000 0.884 125 N CB -0.511 37.605 38.487 -0.619 0.000 1.182 125 N HN -0.280 7.789 8.380 -0.411 0.064 0.493 126 K N -1.485 118.841 120.400 -0.123 0.000 2.694 126 K HA -0.384 4.020 4.320 -0.070 -0.126 0.194 126 K C 0.549 177.138 176.600 -0.018 0.000 1.045 126 K CA 1.039 57.288 56.287 -0.063 0.000 0.906 126 K CB -2.551 29.934 32.500 -0.026 0.000 0.771 126 K HN -0.511 7.616 8.250 -0.111 0.056 0.527 127 L N -4.167 117.035 121.223 -0.035 0.000 2.064 127 L HA -0.383 3.981 4.340 0.040 0.000 0.216 127 L C -0.104 176.854 176.870 0.148 0.000 1.077 127 L CA 2.116 56.976 54.840 0.035 0.000 0.766 127 L CB 0.027 42.085 42.059 -0.002 0.000 0.890 127 L HN -0.400 7.658 8.230 -0.109 0.107 0.435 128 A N -7.746 115.171 122.820 0.161 0.000 2.380 128 A HA 0.312 4.962 4.320 0.420 -0.078 0.315 128 A C -1.762 175.944 177.584 0.204 0.000 1.101 128 A CA -1.684 50.537 52.037 0.306 0.000 0.771 128 A CB 2.675 21.919 19.000 0.408 0.000 1.287 128 A HN -0.827 7.338 8.150 0.078 0.032 0.436 129 Q N 0.889 120.840 119.800 0.251 0.000 2.325 129 Q HA 0.257 4.682 4.340 0.142 0.000 0.262 129 Q C -1.511 174.602 176.000 0.187 0.000 0.968 129 Q CA -1.473 54.454 55.803 0.207 0.000 0.877 129 Q CB 1.528 30.421 28.738 0.258 0.000 1.253 129 Q HN 0.181 8.528 8.270 0.323 0.117 0.448 130 I N 7.807 128.451 120.570 0.123 0.000 2.291 130 I HA 0.013 4.350 4.170 0.279 0.000 0.290 130 I C -1.793 174.374 176.117 0.083 0.000 1.050 130 I CA -0.075 61.310 61.300 0.142 0.000 1.245 130 I CB 0.069 38.086 38.000 0.028 0.000 1.405 130 I HN 0.632 8.896 8.210 0.089 0.000 0.478 131 E N 8.085 128.277 120.200 -0.013 0.000 2.290 131 E HA 0.410 4.778 4.350 0.029 0.000 0.274 131 E C -2.112 174.413 176.600 -0.125 0.000 0.889 131 E CA -1.358 55.033 56.400 -0.016 0.000 0.760 131 E CB 4.711 34.488 29.700 0.129 0.000 1.206 131 E HN -0.022 8.259 8.360 -0.133 0.000 0.419 132 G N 3.795 112.561 108.800 -0.057 0.000 2.675 132 G HA2 0.647 4.787 3.960 -0.125 0.000 0.297 132 G HA3 0.647 4.560 3.960 -0.077 0.000 0.297 132 G C -2.769 172.113 174.900 -0.030 0.000 1.399 132 G CA -0.662 44.392 45.100 -0.076 0.000 0.981 132 G HN 0.619 8.899 8.290 -0.018 0.000 0.519 133 V N 0.745 120.649 119.914 -0.017 0.000 2.823 133 V HA 0.595 4.694 4.120 -0.034 0.000 0.312 133 V C -1.133 174.933 176.094 -0.046 0.000 1.072 133 V CA -2.981 59.298 62.300 -0.036 0.000 0.937 133 V CB 3.832 35.626 31.823 -0.049 0.000 1.013 133 V HN -0.681 7.501 8.190 -0.013 0.000 0.430 134 V N -0.204 119.676 119.914 -0.057 0.000 2.788 134 V HA 0.003 4.138 4.120 0.026 0.000 0.307 134 V C -0.746 175.265 176.094 -0.139 0.000 1.069 134 V CA -1.105 61.167 62.300 -0.045 0.000 1.173 134 V CB -1.203 30.586 31.823 -0.057 0.000 0.925 134 V HN 0.169 8.325 8.190 -0.057 0.000 0.492 135 P HA 0.014 4.185 4.420 -0.415 0.000 0.272 135 P C 0.304 177.471 177.300 -0.222 0.000 1.254 135 P CA -0.630 62.367 63.100 -0.173 0.000 0.795 135 P CB 0.904 32.687 31.700 0.137 0.000 1.022 136 F N -2.394 117.552 119.950 -0.006 0.000 2.699 136 F HA -0.078 4.447 4.527 -0.003 0.000 0.298 136 F C 1.174 176.985 175.800 0.020 0.000 1.154 136 F CA 1.365 59.365 58.000 -0.000 0.000 1.457 136 F CB -0.285 38.706 39.000 -0.015 0.000 1.106 136 F HN 0.170 8.458 8.300 -0.020 0.000 0.585 137 G N -3.451 105.447 108.800 0.164 0.000 3.284 137 G HA2 0.039 4.074 3.960 0.127 0.000 0.236 137 G HA3 0.039 4.080 3.960 0.136 0.000 0.236 137 G C -0.424 174.533 174.900 0.095 0.000 1.158 137 G CA -0.879 44.299 45.100 0.130 0.000 0.774 137 G HN -0.211 8.107 8.290 0.149 0.062 0.545 138 A N 1.060 123.911 122.820 0.050 0.000 1.872 138 A HA 0.059 4.566 4.320 0.001 -0.187 0.214 138 A C 0.210 177.787 177.584 -0.013 0.000 1.187 138 A CA 2.273 54.309 52.037 -0.001 0.000 0.614 138 A CB 0.058 19.034 19.000 -0.040 0.000 0.826 138 A HN -0.529 7.475 8.150 0.039 0.169 0.442 139 N N -4.573 114.134 118.700 0.011 0.000 2.376 139 N HA -0.136 4.600 4.740 -0.007 0.000 0.177 139 N C 0.616 176.148 175.510 0.037 0.000 1.024 139 N CA 1.580 54.639 53.050 0.014 0.000 0.893 139 N CB -0.029 38.471 38.487 0.021 0.000 0.980 139 N HN 0.320 8.714 8.380 0.023 0.000 0.439 140 N N -1.371 117.364 118.700 0.059 0.000 2.176 140 N HA -0.044 4.730 4.740 0.056 0.000 0.187 140 N C 0.079 175.637 175.510 0.081 0.000 1.043 140 N CA 1.647 54.737 53.050 0.067 0.000 0.851 140 N CB 0.788 39.321 38.487 0.076 0.000 1.018 140 N HN -0.331 8.053 8.380 0.066 0.035 0.436 141 A N -2.396 120.487 122.820 0.105 0.000 1.881 141 A HA 0.041 4.428 4.320 0.113 0.000 0.210 141 A C -0.871 176.852 177.584 0.233 0.000 1.239 141 A CA 0.991 53.111 52.037 0.139 0.000 0.629 141 A CB 1.619 20.700 19.000 0.134 0.000 0.906 141 A HN -0.461 7.640 8.150 0.105 0.112 0.460 142 F N -3.705 116.265 119.950 0.033 0.000 2.704 142 F HA 0.140 4.683 4.527 0.027 0.000 0.312 142 F C -2.107 173.711 175.800 0.031 0.000 1.108 142 F CA -0.434 57.583 58.000 0.029 0.000 1.005 142 F CB 3.624 42.639 39.000 0.025 0.000 1.277 142 F HN -0.207 8.206 8.300 0.188 0.000 0.445 143 T N 5.237 119.369 114.554 -0.704 0.000 3.121 143 T HA -0.074 4.213 4.350 -0.227 -0.074 0.256 143 T C -0.828 173.641 174.700 -0.386 0.000 0.942 143 T CA 0.316 62.132 62.100 -0.474 0.000 1.158 143 T CB -1.047 67.564 68.868 -0.429 0.000 0.963 143 T HN 0.170 7.810 8.240 -1.000 0.000 0.660 144 M N 4.364 123.923 119.600 -0.068 0.000 2.247 144 M HA 0.155 4.734 4.480 0.165 0.000 0.326 144 M C -1.713 174.595 176.300 0.012 0.000 1.134 144 M CA -3.363 51.981 55.300 0.074 0.000 1.136 144 M CB -1.450 31.232 32.600 0.136 0.000 1.454 144 M HN -0.476 7.780 8.290 -0.027 0.018 0.467 145 P HA -0.072 4.323 4.420 -0.042 0.000 0.269 145 P C -1.388 175.890 177.300 -0.038 0.000 1.211 145 P CA 0.033 63.110 63.100 -0.038 0.000 0.781 145 P CB 0.090 31.747 31.700 -0.072 0.000 0.877 146 L N -3.968 117.229 121.223 -0.044 0.000 2.399 146 L HA 0.100 4.589 4.340 0.112 -0.082 0.266 146 L C -0.223 176.643 176.870 -0.006 0.000 1.114 146 L CA -0.177 54.673 54.840 0.017 0.000 0.804 146 L CB 0.811 42.856 42.059 -0.023 0.000 1.146 146 L HN -0.195 7.993 8.230 -0.071 0.000 0.451 147 H N 0.811 119.811 119.070 -0.116 0.000 2.761 147 H HA 0.105 4.571 4.556 -0.149 0.000 0.284 147 H C -1.019 174.168 175.328 -0.236 0.000 1.105 147 H CA -1.059 54.898 56.048 -0.152 0.000 1.352 147 H CB 0.572 30.269 29.762 -0.107 0.000 1.423 147 H HN -0.129 8.328 8.280 0.294 0.000 0.464 148 M N 7.682 127.174 119.600 -0.181 0.000 2.522 148 M HA -0.076 4.261 4.480 -0.239 0.000 0.333 148 M C -1.920 174.035 176.300 -0.575 0.000 1.632 148 M CA -0.104 55.017 55.300 -0.299 0.000 1.293 148 M CB -0.898 31.558 32.600 -0.239 0.000 1.857 148 M HN 0.641 8.826 8.290 -0.175 0.000 0.456 149 T N 5.633 119.751 114.554 -0.728 0.000 2.937 149 T HA 0.446 4.327 4.350 -1.006 -0.135 0.297 149 T C -1.346 172.729 174.700 -1.042 0.000 0.991 149 T CA -1.650 59.808 62.100 -1.070 0.000 0.990 149 T CB 2.042 70.064 68.868 -1.411 0.000 0.991 149 T HN 0.075 7.978 8.240 -0.563 0.000 0.440 150 F N 4.738 124.389 119.950 -0.498 0.000 2.351 150 F HA 0.382 4.900 4.527 -0.269 -0.153 0.362 150 F C -0.391 175.283 175.800 -0.210 0.000 1.131 150 F CA -2.873 54.975 58.000 -0.254 0.000 1.187 150 F CB -1.676 37.328 39.000 0.007 0.000 1.434 150 F HN 0.202 7.932 8.300 -0.951 0.000 0.553 151 W N 1.778 123.111 121.300 0.055 0.000 2.034 151 W HA -0.077 4.431 4.660 -0.252 0.000 0.357 151 W C 0.490 176.944 176.519 -0.108 0.000 1.326 151 W CA 0.067 57.346 57.345 -0.111 0.000 1.318 151 W CB 0.919 30.357 29.460 -0.038 0.000 1.193 151 W HN 0.405 8.452 8.180 -0.222 0.000 0.620 152 G N -3.134 105.713 108.800 0.079 0.000 2.345 152 G HA2 0.001 4.116 3.960 0.258 0.000 0.285 152 G HA3 0.001 4.304 3.960 0.572 0.000 0.285 152 G C -3.090 171.895 174.900 0.141 0.000 1.297 152 G CA -0.253 44.978 45.100 0.218 0.000 0.875 152 G HN -0.545 7.778 8.290 0.055 0.000 0.506 153 K N -2.173 118.433 120.400 0.344 0.000 2.281 153 K HA 0.843 5.564 4.320 0.138 -0.319 0.242 153 K C 0.817 177.612 176.600 0.325 0.000 0.971 153 K CA -2.357 54.069 56.287 0.232 0.000 0.834 153 K CB 2.698 35.286 32.500 0.146 0.000 1.181 153 K HN -0.028 8.501 8.250 0.466 0.000 0.435 154 E N 1.768 122.093 120.200 0.209 0.000 2.274 154 E HA -0.393 4.137 4.350 0.300 0.000 0.194 154 E C 1.165 177.854 176.600 0.149 0.000 0.996 154 E CA 3.090 59.612 56.400 0.203 0.000 0.840 154 E CB -0.019 29.759 29.700 0.129 0.000 0.772 154 E HN 0.676 9.121 8.360 0.142 0.000 0.491 155 E N -4.629 115.641 120.200 0.118 0.000 2.338 155 E HA -0.200 4.190 4.350 0.066 0.000 0.197 155 E C 0.996 177.637 176.600 0.069 0.000 1.007 155 E CA 2.097 58.545 56.400 0.079 0.000 0.849 155 E CB -0.841 28.897 29.700 0.064 0.000 0.774 155 E HN 0.285 8.691 8.360 0.119 0.026 0.506 156 N N -1.311 117.444 118.700 0.091 0.000 2.322 156 N HA 0.129 4.872 4.740 0.004 0.000 0.181 156 N C 0.570 176.021 175.510 -0.098 0.000 1.088 156 N CA 0.689 53.748 53.050 0.015 0.000 0.885 156 N CB 0.677 39.184 38.487 0.034 0.000 1.013 156 N HN -0.322 7.992 8.380 0.154 0.159 0.472 157 R N 1.601 122.117 120.500 0.026 0.000 2.103 157 R HA -0.470 3.728 4.340 -0.238 0.000 0.242 157 R C 1.471 177.733 176.300 -0.064 0.000 1.142 157 R CA 4.062 60.181 56.100 0.032 0.000 0.960 157 R CB -0.209 30.271 30.300 0.302 0.000 0.858 157 R HN -0.656 7.555 8.270 0.147 0.147 0.439 158 K N -1.237 119.155 120.400 -0.013 0.000 2.001 158 K HA -0.260 4.061 4.320 0.002 0.000 0.208 158 K C 1.483 178.049 176.600 -0.055 0.000 1.048 158 K CA 2.999 59.277 56.287 -0.014 0.000 0.932 158 K CB -0.602 31.903 32.500 0.009 0.000 0.715 158 K HN -0.151 8.109 8.250 0.018 0.000 0.437 159 A N -1.756 121.028 122.820 -0.060 0.000 2.019 159 A HA -0.157 4.136 4.320 -0.045 0.000 0.219 159 A C 2.680 180.205 177.584 -0.098 0.000 1.164 159 A CA 2.751 54.755 52.037 -0.055 0.000 0.644 159 A CB -0.932 18.063 19.000 -0.010 0.000 0.805 159 A HN 0.081 8.204 8.150 -0.045 0.000 0.449 160 V N -1.068 118.724 119.914 -0.203 0.000 2.302 160 V HA -0.386 3.643 4.120 -0.152 0.000 0.243 160 V C 1.685 177.665 176.094 -0.191 0.000 1.036 160 V CA 3.674 65.806 62.300 -0.280 0.000 1.020 160 V CB -0.687 30.688 31.823 -0.747 0.000 0.657 160 V HN 0.293 8.302 8.190 -0.250 0.031 0.453 161 S N 0.246 115.852 115.700 -0.157 0.000 2.400 161 S HA -0.337 4.132 4.470 -0.002 0.000 0.232 161 S C 2.080 176.662 174.600 -0.030 0.000 1.025 161 S CA 3.398 61.576 58.200 -0.037 0.000 0.993 161 S CB -0.423 62.788 63.200 0.018 0.000 0.808 161 S HN -0.186 8.003 8.310 -0.202 0.000 0.478 162 D N 1.014 121.380 120.400 -0.057 0.000 2.110 162 D HA -0.149 4.473 4.640 -0.031 0.000 0.202 162 D C 1.904 178.138 176.300 -0.109 0.000 0.975 162 D CA 3.908 57.872 54.000 -0.060 0.000 0.839 162 D CB 0.042 40.809 40.800 -0.055 0.000 0.996 162 D HN -0.094 8.213 8.370 -0.071 0.021 0.464 163 Q N 0.268 119.970 119.800 -0.163 0.000 2.170 163 Q HA -0.273 3.903 4.340 -0.272 0.000 0.203 163 Q C 2.315 178.201 176.000 -0.190 0.000 0.976 163 Q CA 2.557 58.202 55.803 -0.263 0.000 0.858 163 Q CB -0.656 27.796 28.738 -0.477 0.000 0.907 163 Q HN -0.583 7.597 8.270 -0.151 0.000 0.433 164 L N -0.105 121.044 121.223 -0.124 0.000 1.976 164 L HA -0.384 3.911 4.340 -0.076 0.000 0.209 164 L C 1.900 178.712 176.870 -0.097 0.000 1.071 164 L CA 2.991 57.786 54.840 -0.074 0.000 0.746 164 L CB -0.310 41.740 42.059 -0.015 0.000 0.890 164 L HN 0.165 8.305 8.230 -0.115 0.020 0.432 165 K N -4.006 116.325 120.400 -0.115 0.000 2.283 165 K HA -0.129 4.214 4.320 -0.390 -0.257 0.202 165 K C 2.008 178.401 176.600 -0.343 0.000 1.048 165 K CA 1.890 58.022 56.287 -0.258 0.000 0.948 165 K CB -0.432 32.030 32.500 -0.063 0.000 0.742 165 K HN -0.759 7.448 8.250 -0.072 0.000 0.458 166 K N -2.526 117.756 120.400 -0.197 0.000 2.147 166 K HA -0.196 4.022 4.320 -0.169 0.000 0.205 166 K C 1.352 177.859 176.600 -0.155 0.000 1.049 166 K CA 2.034 58.220 56.287 -0.167 0.000 0.936 166 K CB -0.308 32.108 32.500 -0.141 0.000 0.722 166 K HN -0.346 7.685 8.250 -0.157 0.125 0.446 167 H N -3.160 115.772 119.070 -0.231 0.000 2.476 167 H HA 0.094 4.554 4.556 -0.160 0.000 0.292 167 H C -0.149 175.051 175.328 -0.214 0.000 1.019 167 H CA 0.736 56.672 56.048 -0.186 0.000 1.330 167 H CB 2.557 32.232 29.762 -0.144 0.000 1.451 167 H HN -0.680 7.437 8.280 -0.065 0.124 0.535 168 G N -4.168 104.507 108.800 -0.209 0.000 2.523 168 G HA2 0.003 3.720 3.960 -0.405 0.000 0.291 168 G HA3 0.003 3.892 3.960 -0.117 0.000 0.291 168 G C -2.702 171.995 174.900 -0.338 0.000 1.450 168 G CA 0.183 45.112 45.100 -0.284 0.000 0.790 168 G HN -0.482 7.701 8.290 -0.178 0.000 0.496 169 F N -1.001 118.961 119.950 0.021 0.000 2.404 169 F HA 0.165 4.709 4.527 0.028 0.000 0.339 169 F C 0.423 176.246 175.800 0.038 0.000 1.105 169 F CA -0.678 57.337 58.000 0.025 0.000 1.087 169 F CB 1.663 40.669 39.000 0.010 0.000 1.143 169 F HN 0.177 8.457 8.300 -0.032 0.000 0.491 170 K N 2.005 122.544 120.400 0.231 0.000 2.258 170 K HA -0.028 4.448 4.320 0.149 -0.067 0.264 170 K C 0.592 177.269 176.600 0.129 0.000 1.007 170 K CA -0.214 56.170 56.287 0.161 0.000 0.941 170 K CB 0.263 32.855 32.500 0.152 0.000 0.966 170 K HN 0.059 8.468 8.250 0.266 0.000 0.480 171 L N 0.000 121.283 121.223 0.100 0.000 2.949 171 L HA 0.000 4.370 4.340 0.050 0.000 0.249 171 L CA 0.000 54.878 54.840 0.063 0.000 0.813 171 L CB 0.000 42.095 42.059 0.059 0.000 0.961 171 L HN 0.000 8.297 8.230 0.112 0.000 0.502