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 1ddm_1_A DATA FIRST_RESID 67 DATA SEQUENCE HQWQADEEAV RSATCSFSVK YLGCVEVFES RGMQVCEEAL KVLRQSRRRP DATA SEQUENCE VRGLLHVSGD GLRVVDDETK GLIVDQTIEK VSFCAPDRNH ERGFSYICRD DATA SEQUENCE GTTRRWMCHG FLACKDSGER LSHAVGCAFA VCLER 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 67 H HA 0.000 4.600 4.556 0.073 0.000 0.296 67 H C 0.000 175.406 175.328 0.130 0.000 0.993 67 H CA 0.000 56.099 56.048 0.085 0.000 1.023 67 H CB 0.000 29.799 29.762 0.061 0.000 1.292 68 Q N 0.085 120.075 119.800 0.317 0.000 2.020 68 Q HA -0.317 4.187 4.340 0.273 0.000 0.202 68 Q C 1.786 177.996 176.000 0.350 0.000 0.982 68 Q CA 3.538 59.527 55.803 0.309 0.000 0.838 68 Q CB -0.115 28.814 28.738 0.318 0.000 0.899 68 Q HN 0.155 8.628 8.270 0.339 0.000 0.423 69 W N -2.823 118.513 121.300 0.060 0.000 2.519 69 W HA -0.267 4.407 4.660 0.024 0.000 0.266 69 W C 1.878 178.405 176.519 0.012 0.000 1.253 69 W CA 3.330 60.690 57.345 0.024 0.000 1.274 69 W CB -0.864 28.594 29.460 -0.003 0.000 1.114 69 W HN 0.121 8.582 8.180 0.468 0.000 0.596 70 Q N -4.568 115.368 119.800 0.227 0.000 2.436 70 Q HA -0.251 4.154 4.340 0.108 0.000 0.209 70 Q C 0.315 176.340 176.000 0.043 0.000 0.965 70 Q CA 2.659 58.527 55.803 0.109 0.000 0.910 70 Q CB -0.640 28.144 28.738 0.077 0.000 0.980 70 Q HN 0.241 8.532 8.270 0.255 0.132 0.491 71 A N -2.819 120.031 122.820 0.049 0.000 2.192 71 A HA 0.196 4.507 4.320 -0.016 0.000 0.208 71 A C 0.308 177.881 177.584 -0.018 0.000 1.220 71 A CA 0.697 52.738 52.037 0.006 0.000 0.900 71 A CB 1.236 20.245 19.000 0.015 0.000 0.937 71 A HN -0.599 7.422 8.150 0.105 0.193 0.487 72 D N -1.085 119.306 120.400 -0.015 0.000 2.333 72 D HA -0.030 4.561 4.640 -0.082 0.000 0.208 72 D C 1.646 177.854 176.300 -0.155 0.000 0.984 72 D CA 2.364 56.309 54.000 -0.092 0.000 0.873 72 D CB 0.110 40.834 40.800 -0.125 0.000 0.935 72 D HN -0.408 7.876 8.370 0.039 0.110 0.521 73 E N -0.859 119.263 120.200 -0.131 0.000 2.077 73 E HA -0.355 3.871 4.350 -0.207 0.000 0.193 73 E C 1.369 177.906 176.600 -0.104 0.000 0.989 73 E CA 3.635 59.954 56.400 -0.136 0.000 0.800 73 E CB 0.303 29.961 29.700 -0.070 0.000 0.746 73 E HN -0.492 7.787 8.360 -0.073 0.038 0.452 74 E N -3.170 116.983 120.200 -0.078 0.000 2.472 74 E HA 0.040 4.347 4.350 -0.071 0.000 0.196 74 E C 0.366 176.918 176.600 -0.080 0.000 1.033 74 E CA 0.999 57.357 56.400 -0.071 0.000 0.886 74 E CB -0.253 29.414 29.700 -0.055 0.000 0.944 74 E HN 0.371 8.691 8.360 -0.067 0.000 0.492 75 A N 0.727 123.492 122.820 -0.092 0.000 1.845 75 A HA -0.242 4.014 4.320 -0.106 0.000 0.215 75 A C 1.473 178.998 177.584 -0.097 0.000 1.195 75 A CA 2.871 54.847 52.037 -0.103 0.000 0.616 75 A CB -0.646 18.286 19.000 -0.113 0.000 0.832 75 A HN -0.042 7.866 8.150 -0.093 0.185 0.443 76 V N -1.874 117.983 119.914 -0.094 0.000 2.407 76 V HA -0.420 3.898 4.120 -0.065 -0.236 0.248 76 V C 1.820 177.872 176.094 -0.070 0.000 1.055 76 V CA 3.175 65.428 62.300 -0.077 0.000 1.049 76 V CB -0.004 31.771 31.823 -0.081 0.000 0.662 76 V HN -0.745 7.381 8.190 -0.107 0.000 0.455 77 R N -2.779 117.676 120.500 -0.075 0.000 2.152 77 R HA -0.317 3.987 4.340 -0.061 0.000 0.232 77 R C 0.832 177.096 176.300 -0.060 0.000 1.117 77 R CA 2.705 58.766 56.100 -0.065 0.000 0.981 77 R CB -0.321 29.940 30.300 -0.064 0.000 0.870 77 R HN 0.251 8.456 8.270 -0.084 0.014 0.451 78 S N -0.985 114.674 115.700 -0.069 0.000 2.310 78 S HA 0.025 4.457 4.470 -0.062 0.000 0.176 78 S C 0.217 174.774 174.600 -0.072 0.000 1.002 78 S CA 1.672 59.829 58.200 -0.072 0.000 1.105 78 S CB 1.268 64.417 63.200 -0.086 0.000 0.852 78 S HN -0.507 7.606 8.310 -0.076 0.151 0.475 79 A N -3.346 119.420 122.820 -0.090 0.000 2.604 79 A HA 0.141 4.429 4.320 -0.053 0.000 0.206 79 A C -2.000 175.519 177.584 -0.109 0.000 1.959 79 A CA 0.296 52.286 52.037 -0.079 0.000 1.535 79 A CB 1.075 20.032 19.000 -0.072 0.000 0.924 79 A HN -0.296 7.789 8.150 -0.109 0.000 0.640 80 T N -1.432 113.046 114.554 -0.127 0.000 4.209 80 T HA 0.210 4.434 4.350 -0.017 0.116 0.319 80 T C -2.302 172.308 174.700 -0.151 0.000 0.730 80 T CA 0.914 62.916 62.100 -0.163 0.000 0.949 80 T CB 0.255 68.850 68.868 -0.454 0.000 1.110 80 T HN -0.461 7.712 8.240 -0.112 0.000 0.470 81 C N 5.270 124.515 119.300 -0.092 0.000 3.385 81 C HA 0.145 4.518 4.460 -0.145 0.000 0.288 81 C C -1.225 173.712 174.990 -0.089 0.000 1.429 81 C CA -1.978 56.976 59.018 -0.106 0.000 1.778 81 C CB 1.032 28.728 27.740 -0.073 0.000 2.503 81 C HN 0.387 8.714 8.230 -0.034 -0.118 0.646 82 S N -0.177 115.475 115.700 -0.080 0.000 2.702 82 S HA 0.631 5.368 4.470 0.084 -0.216 0.272 82 S C -0.782 173.723 174.600 -0.158 0.000 1.068 82 S CA -1.390 56.813 58.200 0.005 0.000 0.964 82 S CB 1.407 64.664 63.200 0.094 0.000 1.307 82 S HN -0.753 7.525 8.310 -0.053 0.000 0.567 83 F N -2.057 117.986 119.950 0.156 0.000 3.129 83 F HA 0.057 4.677 4.527 0.154 0.000 0.326 83 F C -1.082 174.791 175.800 0.122 0.000 1.202 83 F CA -0.549 57.538 58.000 0.144 0.000 0.929 83 F CB 1.864 40.947 39.000 0.138 0.000 1.473 83 F HN -0.355 8.114 8.300 0.280 0.000 0.512 84 S N 1.263 117.203 115.700 0.400 0.000 2.573 84 S HA 0.067 4.871 4.470 0.169 -0.232 0.297 84 S C 0.034 174.768 174.600 0.223 0.000 1.280 84 S CA 2.272 60.609 58.200 0.228 0.000 1.061 84 S CB -0.156 63.151 63.200 0.178 0.000 0.812 84 S HN -0.008 8.622 8.310 0.533 0.000 0.500 85 V N -2.335 117.690 119.914 0.184 0.000 3.156 85 V HA 0.864 5.290 4.120 0.293 -0.130 0.311 85 V C -0.940 175.279 176.094 0.209 0.000 1.208 85 V CA -2.938 59.512 62.300 0.250 0.000 1.063 85 V CB 3.288 35.281 31.823 0.284 0.000 1.098 85 V HN 0.097 8.262 8.190 0.134 0.106 0.452 86 K N -0.226 120.333 120.400 0.264 0.000 2.954 86 K HA 0.547 5.221 4.320 0.162 -0.257 0.171 86 K C -1.122 175.627 176.600 0.248 0.000 1.079 86 K CA -1.483 54.922 56.287 0.196 0.000 0.908 86 K CB 0.857 33.425 32.500 0.115 0.000 1.142 86 K HN -0.041 8.436 8.250 0.378 0.000 0.613 87 Y N 3.277 123.664 120.300 0.146 0.000 2.828 87 Y HA -0.228 4.463 4.550 0.236 0.000 0.359 87 Y C 0.047 176.013 175.900 0.110 0.000 1.258 87 Y CA 0.850 59.036 58.100 0.143 0.000 1.652 87 Y CB -0.567 37.932 38.460 0.064 0.000 1.232 87 Y HN -0.285 8.197 8.280 0.336 0.000 0.513 88 L N 7.329 128.416 121.223 -0.226 0.000 2.093 88 L HA -0.281 4.084 4.340 -0.089 -0.078 0.208 88 L C 0.409 177.065 176.870 -0.357 0.000 1.085 88 L CA 1.790 56.507 54.840 -0.206 0.000 0.755 88 L CB 0.263 42.245 42.059 -0.128 0.000 0.904 88 L HN -0.252 7.895 8.230 -0.138 0.000 0.435 89 G N -6.027 102.292 108.800 -0.800 0.000 2.384 89 G HA2 -0.073 3.484 3.960 -0.672 0.000 0.113 89 G HA3 -0.073 3.746 3.960 -0.236 0.000 0.113 89 G C -2.797 171.907 174.900 -0.326 0.000 1.224 89 G CA -0.267 44.478 45.100 -0.591 0.000 1.126 89 G HN -0.575 7.067 8.290 -1.080 0.000 0.461 90 C N 0.318 119.611 119.300 -0.012 0.000 2.782 90 C HA 0.497 5.081 4.460 0.208 0.000 0.328 90 C C -0.889 174.158 174.990 0.095 0.000 1.145 90 C CA -1.896 57.222 59.018 0.166 0.000 1.358 90 C CB 3.356 31.310 27.740 0.357 0.000 1.841 90 C HN 0.028 8.250 8.230 -0.014 0.000 0.477 91 V N -2.763 117.198 119.914 0.078 0.000 3.141 91 V HA 0.485 4.638 4.120 0.056 0.000 0.312 91 V C -1.923 174.208 176.094 0.062 0.000 1.157 91 V CA -2.540 59.792 62.300 0.054 0.000 1.041 91 V CB 3.089 34.930 31.823 0.030 0.000 1.071 91 V HN 0.630 8.868 8.190 0.080 0.000 0.441 92 E N 0.258 120.504 120.200 0.076 0.000 2.231 92 E HA 0.376 4.933 4.350 0.111 -0.140 0.277 92 E C -0.450 176.232 176.600 0.137 0.000 0.999 92 E CA -1.104 55.364 56.400 0.114 0.000 0.827 92 E CB 1.200 30.977 29.700 0.128 0.000 1.101 92 E HN -0.020 8.381 8.360 0.069 0.000 0.393 93 V N -2.629 117.397 119.914 0.187 0.000 3.139 93 V HA 0.393 4.602 4.120 0.147 0.000 0.310 93 V C -1.734 174.507 176.094 0.245 0.000 1.260 93 V CA -2.669 59.730 62.300 0.166 0.000 1.064 93 V CB 1.605 33.470 31.823 0.070 0.000 1.160 93 V HN 0.081 8.408 8.190 0.228 0.000 0.470 94 F N -0.654 119.239 119.950 -0.096 0.000 2.664 94 F HA 0.223 4.422 4.527 -0.546 0.000 0.353 94 F C -1.077 174.479 175.800 -0.407 0.000 1.498 94 F CA 0.269 58.092 58.000 -0.295 0.000 1.109 94 F CB 0.985 39.917 39.000 -0.113 0.000 1.728 94 F HN -0.144 8.215 8.300 0.099 0.000 0.580 95 E N 1.184 121.075 120.200 -0.514 0.000 2.763 95 E HA 0.078 4.186 4.350 -0.402 0.000 0.282 95 E C -1.245 175.141 176.600 -0.357 0.000 1.124 95 E CA 0.715 56.897 56.400 -0.364 0.000 2.045 95 E CB 1.405 31.037 29.700 -0.114 0.000 2.468 95 E HN -0.127 7.860 8.360 -0.623 0.000 1.058 96 S N -1.748 113.848 115.700 -0.174 0.000 3.581 96 S HA -0.293 4.113 4.470 -0.107 0.000 0.354 96 S C -0.995 173.704 174.600 0.165 0.000 1.059 96 S CA 1.132 59.294 58.200 -0.065 0.000 1.060 96 S CB -0.772 62.409 63.200 -0.033 0.000 0.908 96 S HN 0.127 8.356 8.310 -0.135 0.000 0.475 97 R N -3.439 117.206 120.500 0.242 0.000 2.548 97 R HA 0.214 4.788 4.340 0.390 0.000 0.449 97 R C -1.218 175.185 176.300 0.171 0.000 0.928 97 R CA -0.300 55.951 56.100 0.253 0.000 1.107 97 R CB 0.714 31.037 30.300 0.037 0.000 1.557 97 R HN -0.419 7.918 8.270 0.135 0.014 0.584 98 G N -0.509 108.500 108.800 0.348 0.000 2.677 98 G HA2 0.171 4.152 3.960 0.035 0.000 0.291 98 G HA3 0.171 4.191 3.960 0.101 0.000 0.291 98 G C -1.569 173.526 174.900 0.325 0.000 1.435 98 G CA -0.292 44.917 45.100 0.181 0.000 0.826 98 G HN -0.731 7.892 8.290 0.554 0.000 0.491 99 M N -3.632 116.074 119.600 0.178 0.000 2.514 99 M HA 0.097 4.748 4.480 0.286 0.000 0.258 99 M C 1.339 177.696 176.300 0.095 0.000 1.119 99 M CA 1.192 56.597 55.300 0.175 0.000 1.111 99 M CB 0.604 33.263 32.600 0.099 0.000 1.390 99 M HN 0.131 8.469 8.290 0.079 0.000 0.475 100 Q N -0.482 119.355 119.800 0.062 0.000 2.389 100 Q HA -0.145 4.204 4.340 0.017 0.000 0.204 100 Q C 1.200 177.212 176.000 0.019 0.000 0.944 100 Q CA 2.320 58.139 55.803 0.026 0.000 0.908 100 Q CB -0.821 27.923 28.738 0.011 0.000 1.002 100 Q HN 0.142 8.408 8.270 0.065 0.043 0.493 101 V N -1.552 118.384 119.914 0.037 0.000 2.594 101 V HA -0.350 3.774 4.120 0.007 0.000 0.253 101 V C 1.033 177.124 176.094 -0.004 0.000 1.069 101 V CA 3.153 65.462 62.300 0.015 0.000 1.082 101 V CB -0.853 30.980 31.823 0.016 0.000 0.680 101 V HN -0.011 8.179 8.190 0.070 0.042 0.469 102 C N -2.750 116.550 119.300 0.000 0.000 2.485 102 C HA -0.187 4.253 4.460 -0.034 0.000 0.277 102 C C 1.424 176.387 174.990 -0.044 0.000 1.376 102 C CA 3.136 62.139 59.018 -0.024 0.000 1.759 102 C CB 0.315 28.049 27.740 -0.011 0.000 1.970 102 C HN -0.572 7.642 8.230 0.026 0.032 0.509 103 E N -0.369 119.811 120.200 -0.035 0.000 2.338 103 E HA -0.234 4.068 4.350 -0.080 0.000 0.197 103 E C 0.480 177.045 176.600 -0.059 0.000 1.007 103 E CA 2.706 59.072 56.400 -0.057 0.000 0.849 103 E CB -0.339 29.333 29.700 -0.047 0.000 0.774 103 E HN -0.595 7.609 8.360 -0.014 0.148 0.506 104 E N -2.580 117.595 120.200 -0.041 0.000 2.162 104 E HA 0.039 4.363 4.350 -0.042 0.000 0.193 104 E C 1.270 177.850 176.600 -0.034 0.000 0.953 104 E CA 1.462 57.841 56.400 -0.035 0.000 0.849 104 E CB 0.526 30.213 29.700 -0.021 0.000 0.810 104 E HN -0.826 7.352 8.360 -0.031 0.163 0.470 105 A N 0.930 123.732 122.820 -0.030 0.000 1.940 105 A HA -0.271 4.041 4.320 -0.014 0.000 0.219 105 A C 1.518 179.077 177.584 -0.042 0.000 1.176 105 A CA 3.108 55.129 52.037 -0.027 0.000 0.631 105 A CB -0.575 18.411 19.000 -0.024 0.000 0.814 105 A HN -0.499 7.634 8.150 -0.029 0.000 0.446 106 L N -2.999 118.185 121.223 -0.064 0.000 2.127 106 L HA -0.303 3.987 4.340 -0.084 0.000 0.211 106 L C 1.476 178.307 176.870 -0.066 0.000 1.089 106 L CA 3.108 57.897 54.840 -0.084 0.000 0.757 106 L CB -0.123 41.862 42.059 -0.124 0.000 0.899 106 L HN -0.374 7.806 8.230 -0.067 0.010 0.434 107 K N -1.831 118.535 120.400 -0.057 0.000 2.116 107 K HA -0.215 4.077 4.320 -0.047 0.000 0.203 107 K C 2.122 178.702 176.600 -0.033 0.000 1.052 107 K CA 2.343 58.602 56.287 -0.046 0.000 0.952 107 K CB -0.184 32.288 32.500 -0.046 0.000 0.729 107 K HN -0.690 7.389 8.250 -0.057 0.136 0.446 108 V N -0.088 119.809 119.914 -0.028 0.000 2.332 108 V HA -0.519 3.592 4.120 -0.015 0.000 0.248 108 V C 1.881 177.963 176.094 -0.020 0.000 1.055 108 V CA 4.165 66.454 62.300 -0.018 0.000 1.038 108 V CB 0.014 31.832 31.823 -0.008 0.000 0.651 108 V HN -0.616 7.467 8.190 -0.030 0.088 0.450 109 L N -5.737 115.468 121.223 -0.030 0.000 2.376 109 L HA -0.183 4.139 4.340 -0.030 0.000 0.219 109 L C 0.747 177.597 176.870 -0.034 0.000 1.133 109 L CA 1.742 56.559 54.840 -0.037 0.000 0.816 109 L CB -0.237 41.785 42.059 -0.060 0.000 0.933 109 L HN -0.641 7.568 8.230 -0.034 0.000 0.449 110 R N -4.051 116.430 120.500 -0.031 0.000 2.275 110 R HA -0.181 4.145 4.340 -0.024 0.000 0.199 110 R C 1.082 177.372 176.300 -0.018 0.000 0.989 110 R CA 0.953 57.038 56.100 -0.025 0.000 1.016 110 R CB 0.021 30.305 30.300 -0.026 0.000 0.918 110 R HN -0.736 7.320 8.270 -0.033 0.194 0.473 111 Q N -2.126 117.663 119.800 -0.017 0.000 1.969 111 Q HA -0.111 4.222 4.340 -0.012 0.000 0.198 111 Q C 0.444 176.439 176.000 -0.009 0.000 0.978 111 Q CA 1.914 57.710 55.803 -0.012 0.000 0.830 111 Q CB 0.920 29.652 28.738 -0.010 0.000 0.896 111 Q HN -0.492 7.584 8.270 -0.019 0.182 0.431 112 S N -6.214 109.481 115.700 -0.008 0.000 2.655 112 S HA 0.035 4.502 4.470 -0.005 0.000 0.273 112 S C -0.525 174.073 174.600 -0.003 0.000 1.177 112 S CA 0.520 58.718 58.200 -0.005 0.000 0.918 112 S CB 0.553 63.752 63.200 -0.002 0.000 1.217 112 S HN -0.698 7.607 8.310 -0.009 0.000 0.492 113 R N -1.957 118.544 120.500 0.001 0.000 1.207 113 R HA -0.398 3.946 4.340 0.006 0.000 0.017 113 R C -0.780 175.521 176.300 0.002 0.000 0.961 113 R CA 2.145 58.248 56.100 0.004 0.000 1.977 113 R CB -1.025 29.279 30.300 0.006 0.000 0.138 113 R HN 0.348 8.619 8.270 0.001 0.000 0.729 114 R N 2.557 123.053 120.500 -0.006 0.000 2.309 114 R HA -0.037 4.300 4.340 -0.006 0.000 0.331 114 R C -0.133 176.154 176.300 -0.021 0.000 1.116 114 R CA -0.653 55.437 56.100 -0.017 0.000 0.970 114 R CB -1.471 28.806 30.300 -0.039 0.000 1.024 114 R HN -0.077 8.143 8.270 -0.007 0.046 0.472 115 R N 5.675 126.172 120.500 -0.004 0.000 2.390 115 R HA 0.073 4.412 4.340 -0.001 0.000 0.291 115 R C -1.782 174.522 176.300 0.007 0.000 1.070 115 R CA -1.577 54.525 56.100 0.004 0.000 1.014 115 R CB 0.432 30.741 30.300 0.016 0.000 1.007 115 R HN -0.290 7.983 8.270 0.005 0.000 0.466 116 P HA -0.089 4.414 4.420 0.014 -0.075 0.272 116 P C -1.307 176.032 177.300 0.065 0.000 1.230 116 P CA -0.820 62.298 63.100 0.029 0.000 0.788 116 P CB 0.641 32.358 31.700 0.027 0.000 0.949 117 V N -0.962 119.018 119.914 0.110 0.000 2.789 117 V HA 0.203 4.372 4.120 0.081 0.000 0.311 117 V C -0.985 175.174 176.094 0.107 0.000 1.073 117 V CA -1.702 60.666 62.300 0.112 0.000 0.921 117 V CB 3.722 35.633 31.823 0.146 0.000 1.009 117 V HN -0.238 7.938 8.190 0.136 0.095 0.426 118 R N 6.526 127.071 120.500 0.076 0.000 2.296 118 R HA 0.398 4.968 4.340 0.085 -0.179 0.327 118 R C -0.116 176.218 176.300 0.057 0.000 1.137 118 R CA -0.563 55.579 56.100 0.070 0.000 1.020 118 R CB 0.007 30.341 30.300 0.056 0.000 1.110 118 R HN 0.579 8.888 8.270 0.064 0.000 0.499 119 G N 3.190 112.024 108.800 0.055 0.000 3.251 119 G HA2 0.629 4.697 3.960 0.007 0.000 0.248 119 G HA3 0.629 4.577 3.960 -0.021 0.000 0.248 119 G C -2.902 171.998 174.900 0.000 0.000 1.320 119 G CA -1.392 43.714 45.100 0.009 0.000 0.982 119 G HN -0.145 8.193 8.290 0.080 0.000 0.575 120 L N -0.297 120.865 121.223 -0.102 0.000 2.427 120 L HA 0.522 4.863 4.340 0.002 0.000 0.264 120 L C -1.481 175.118 176.870 -0.452 0.000 0.989 120 L CA -1.324 53.423 54.840 -0.154 0.000 0.865 120 L CB 1.711 43.728 42.059 -0.070 0.000 1.209 120 L HN -0.195 7.838 8.230 -0.157 0.103 0.430 121 L N 6.708 127.811 121.223 -0.199 0.000 2.462 121 L HA 0.010 4.177 4.340 -0.287 0.000 0.272 121 L C -1.492 175.300 176.870 -0.129 0.000 1.166 121 L CA -0.097 54.625 54.840 -0.198 0.000 0.880 121 L CB 0.556 42.592 42.059 -0.038 0.000 1.142 121 L HN 0.039 8.252 8.230 -0.028 0.000 0.473 122 H N 7.738 126.767 119.070 -0.069 0.000 2.645 122 H HA 0.139 4.630 4.556 -0.108 0.000 0.257 122 H C -1.368 173.915 175.328 -0.074 0.000 1.269 122 H CA -2.112 53.885 56.048 -0.086 0.000 1.409 122 H CB -0.025 29.686 29.762 -0.086 0.000 1.434 122 H HN 0.041 8.214 8.280 -0.178 0.000 0.505 123 V N 5.485 125.430 119.914 0.051 0.000 2.415 123 V HA -0.240 3.891 4.120 0.017 0.000 0.252 123 V C -0.859 175.235 176.094 -0.000 0.000 1.043 123 V CA -0.121 62.191 62.300 0.020 0.000 1.149 123 V CB -1.685 30.151 31.823 0.022 0.000 1.143 123 V HN 0.417 8.719 8.190 0.048 -0.084 0.478 124 S N 6.997 122.695 115.700 -0.003 0.000 2.541 124 S HA 0.401 4.852 4.470 -0.031 0.000 0.283 124 S C 1.453 176.043 174.600 -0.018 0.000 1.196 124 S CA -1.857 56.331 58.200 -0.019 0.000 1.062 124 S CB 2.062 65.249 63.200 -0.020 0.000 1.009 124 S HN -0.394 7.915 8.310 -0.000 0.000 0.502 125 G N 1.504 110.288 108.800 -0.026 0.000 2.586 125 G HA2 -0.255 3.698 3.960 -0.011 0.000 0.215 125 G HA3 -0.255 3.687 3.960 -0.031 0.000 0.215 125 G C -0.500 174.392 174.900 -0.014 0.000 1.128 125 G CA 1.379 46.466 45.100 -0.021 0.000 0.774 125 G HN 0.603 8.871 8.290 -0.036 0.000 0.543 126 D N -0.086 120.303 120.400 -0.019 0.000 2.670 126 D HA 0.125 4.757 4.640 -0.013 0.000 0.255 126 D C -0.600 175.684 176.300 -0.026 0.000 1.286 126 D CA -0.691 53.298 54.000 -0.019 0.000 0.830 126 D CB 0.464 41.250 40.800 -0.023 0.000 1.065 126 D HN -0.612 7.657 8.370 -0.023 0.088 0.486 127 G N -1.154 107.631 108.800 -0.025 0.000 2.770 127 G HA2 -0.339 3.703 3.960 -0.047 0.000 0.686 127 G HA3 -0.339 3.588 3.960 -0.056 0.000 0.686 127 G C -2.601 172.267 174.900 -0.054 0.000 1.180 127 G CA -0.498 44.575 45.100 -0.046 0.000 0.767 127 G HN -0.548 7.667 8.290 -0.014 0.067 0.646 128 L N -0.684 120.491 121.223 -0.081 0.000 2.472 128 L HA 0.013 4.478 4.340 -0.043 -0.150 0.260 128 L C -0.407 176.397 176.870 -0.111 0.000 1.209 128 L CA 0.094 54.883 54.840 -0.084 0.000 0.817 128 L CB 1.079 43.074 42.059 -0.107 0.000 1.106 128 L HN 0.035 8.202 8.230 -0.104 0.000 0.479 129 R N -3.615 116.821 120.500 -0.107 0.000 2.585 129 R HA 0.426 4.940 4.340 -0.164 -0.273 0.288 129 R C -1.388 174.781 176.300 -0.219 0.000 1.194 129 R CA -1.759 54.263 56.100 -0.131 0.000 1.006 129 R CB 1.433 31.704 30.300 -0.048 0.000 1.229 129 R HN -0.434 7.783 8.270 -0.089 0.000 0.412 130 V N 6.638 126.397 119.914 -0.259 0.000 2.320 130 V HA 0.180 4.267 4.120 -0.377 -0.194 0.265 130 V C -0.841 175.107 176.094 -0.244 0.000 1.048 130 V CA -0.346 61.775 62.300 -0.297 0.000 0.865 130 V CB -0.208 31.446 31.823 -0.282 0.000 1.043 130 V HN -0.066 7.971 8.190 -0.255 0.000 0.474 131 V N 9.186 128.932 119.914 -0.281 0.000 2.353 131 V HA -0.017 4.041 4.120 -0.104 0.000 0.264 131 V C -0.672 175.366 176.094 -0.094 0.000 1.049 131 V CA -0.791 61.426 62.300 -0.139 0.000 0.896 131 V CB 0.409 32.206 31.823 -0.043 0.000 1.025 131 V HN -0.195 7.700 8.190 -0.493 0.000 0.475 132 D N 8.657 129.022 120.400 -0.058 0.000 2.571 132 D HA -0.280 4.348 4.640 -0.019 0.000 0.231 132 D C -0.448 175.852 176.300 0.002 0.000 1.133 132 D CA 2.006 55.993 54.000 -0.021 0.000 0.862 132 D CB 0.775 41.570 40.800 -0.009 0.000 1.179 132 D HN 0.427 8.759 8.370 -0.064 0.000 0.474 133 D N 3.194 123.605 120.400 0.018 0.000 2.342 133 D HA 0.021 4.683 4.640 0.037 0.000 0.221 133 D C -0.306 176.013 176.300 0.032 0.000 1.101 133 D CA 0.871 54.892 54.000 0.035 0.000 0.837 133 D CB 0.443 41.274 40.800 0.051 0.000 0.938 133 D HN -0.229 8.154 8.370 0.021 0.000 0.508 134 E N -4.523 115.692 120.200 0.025 0.000 2.702 134 E HA 0.127 4.492 4.350 0.024 0.000 0.225 134 E C -0.721 175.890 176.600 0.018 0.000 0.942 134 E CA 0.414 56.828 56.400 0.023 0.000 1.210 134 E CB 0.999 30.715 29.700 0.026 0.000 1.143 134 E HN 0.168 8.452 8.360 0.021 0.088 0.544 135 T N -1.372 113.191 114.554 0.014 0.000 3.151 135 T HA -0.045 4.312 4.350 0.010 0.000 0.257 135 T C -1.354 173.349 174.700 0.005 0.000 0.872 135 T CA 0.195 62.300 62.100 0.009 0.000 0.873 135 T CB 1.155 70.028 68.868 0.008 0.000 1.272 135 T HN -0.578 7.670 8.240 0.014 0.000 0.543 136 K N -1.207 119.195 120.400 0.003 0.000 3.012 136 K HA -0.241 4.211 4.320 -0.002 -0.134 0.259 136 K C -0.096 176.499 176.600 -0.008 0.000 0.989 136 K CA 0.668 56.955 56.287 0.001 0.000 0.728 136 K CB -2.163 30.343 32.500 0.010 0.000 1.260 136 K HN -0.626 7.522 8.250 0.005 0.106 0.480 137 G N -3.558 105.233 108.800 -0.015 0.000 3.020 137 G HA2 -0.148 3.802 3.960 -0.017 0.000 0.217 137 G HA3 -0.148 3.802 3.960 -0.016 0.000 0.217 137 G C -1.016 173.861 174.900 -0.038 0.000 1.144 137 G CA -0.425 44.662 45.100 -0.021 0.000 0.760 137 G HN -0.296 7.966 8.290 -0.014 0.019 0.548 138 L N -1.769 119.422 121.223 -0.053 0.000 0.588 138 L HA -0.409 4.105 4.340 -0.106 -0.237 0.356 138 L C -1.495 175.310 176.870 -0.108 0.000 1.005 138 L CA 0.957 55.745 54.840 -0.088 0.000 1.223 138 L CB 0.462 42.472 42.059 -0.080 0.000 0.021 138 L HN -0.765 7.384 8.230 -0.045 0.054 0.093 139 I N -4.115 116.349 120.570 -0.177 0.000 4.738 139 I HA 0.221 4.301 4.170 -0.150 0.000 0.315 139 I C -0.931 174.971 176.117 -0.357 0.000 1.214 139 I CA -0.050 61.112 61.300 -0.230 0.000 1.337 139 I CB 1.552 39.405 38.000 -0.244 0.000 1.433 139 I HN -0.033 8.054 8.210 -0.205 0.000 0.472 140 V N 2.650 122.320 119.914 -0.408 0.000 2.275 140 V HA 0.136 3.993 4.120 -0.439 0.000 0.272 140 V C -1.775 174.152 176.094 -0.277 0.000 1.028 140 V CA -0.293 61.751 62.300 -0.426 0.000 0.810 140 V CB 0.109 31.617 31.823 -0.525 0.000 1.043 140 V HN -0.603 7.374 8.190 -0.356 0.000 0.453 141 D N 3.565 123.833 120.400 -0.220 0.000 2.491 141 D HA 0.079 4.631 4.640 -0.147 0.000 0.228 141 D C 0.040 176.249 176.300 -0.152 0.000 1.183 141 D CA -0.839 53.067 54.000 -0.158 0.000 0.827 141 D CB 0.103 40.832 40.800 -0.117 0.000 0.989 141 D HN 0.364 8.600 8.370 -0.224 0.000 0.494 142 Q N -1.160 118.520 119.800 -0.201 0.000 2.306 142 Q HA 0.014 4.268 4.340 -0.143 0.000 0.175 142 Q C -0.167 175.739 176.000 -0.156 0.000 1.107 142 Q CA 0.478 56.169 55.803 -0.186 0.000 1.170 142 Q CB 1.300 29.881 28.738 -0.261 0.000 1.376 142 Q HN -0.534 7.489 8.270 -0.252 0.095 0.618 143 T N -2.983 111.486 114.554 -0.141 0.000 2.883 143 T HA 0.318 4.610 4.350 -0.097 0.000 0.301 143 T C 0.140 174.783 174.700 -0.095 0.000 1.158 143 T CA -0.691 61.349 62.100 -0.099 0.000 1.007 143 T CB 2.997 71.830 68.868 -0.060 0.000 1.186 143 T HN -0.017 8.135 8.240 -0.146 0.000 0.499 144 I N 1.401 121.940 120.570 -0.051 0.000 2.286 144 I HA -0.335 3.816 4.170 -0.033 0.000 0.245 144 I C 0.839 176.968 176.117 0.019 0.000 1.104 144 I CA 3.799 65.094 61.300 -0.009 0.000 1.397 144 I CB 0.097 38.120 38.000 0.038 0.000 1.072 144 I HN 0.752 8.938 8.210 -0.039 0.000 0.417 145 E N -3.352 116.860 120.200 0.021 0.000 2.482 145 E HA -0.217 4.168 4.350 0.058 0.000 0.196 145 E C -0.231 176.382 176.600 0.021 0.000 1.047 145 E CA 1.300 57.721 56.400 0.035 0.000 0.869 145 E CB -0.441 29.279 29.700 0.033 0.000 0.836 145 E HN 0.170 8.536 8.360 0.009 0.000 0.520 146 K N -1.554 118.844 120.400 -0.003 0.000 2.128 146 K HA -0.038 4.283 4.320 0.002 0.000 0.202 146 K C 0.251 176.849 176.600 -0.003 0.000 1.050 146 K CA 0.839 57.120 56.287 -0.009 0.000 0.966 146 K CB 0.595 33.075 32.500 -0.033 0.000 0.759 146 K HN -0.503 7.541 8.250 -0.018 0.195 0.454 147 V N -4.194 115.709 119.914 -0.019 0.000 2.924 147 V HA 0.102 4.218 4.120 -0.007 0.000 0.305 147 V C 0.873 176.971 176.094 0.006 0.000 1.073 147 V CA -1.747 60.543 62.300 -0.016 0.000 1.098 147 V CB 0.265 32.059 31.823 -0.048 0.000 1.000 147 V HN -0.692 7.475 8.190 -0.037 0.000 0.484 148 S N 3.792 119.464 115.700 -0.047 0.000 2.378 148 S HA -0.272 4.252 4.470 0.091 0.000 0.221 148 S C -0.000 174.681 174.600 0.135 0.000 1.037 148 S CA 3.634 61.816 58.200 -0.029 0.000 1.069 148 S CB 0.630 63.644 63.200 -0.310 0.000 1.006 148 S HN 0.243 8.504 8.310 -0.081 0.000 0.423 149 F N -5.556 114.426 119.950 0.053 0.000 2.704 149 F HA 0.227 4.763 4.527 0.015 0.000 0.312 149 F C -1.746 174.101 175.800 0.078 0.000 1.108 149 F CA -2.476 55.542 58.000 0.030 0.000 1.005 149 F CB 0.731 39.722 39.000 -0.015 0.000 1.277 149 F HN -0.919 7.095 8.300 -0.476 0.000 0.445 150 C N 3.208 122.656 119.300 0.246 0.000 2.705 150 C HA 0.037 4.661 4.460 0.274 0.000 0.365 150 C C -0.335 174.794 174.990 0.230 0.000 1.353 150 C CA 0.565 59.723 59.018 0.232 0.000 2.339 150 C CB 0.825 28.680 27.740 0.192 0.000 2.576 150 C HN 0.430 8.783 8.230 0.206 0.000 0.716 151 A N 0.772 123.698 122.820 0.177 0.000 2.534 151 A HA 0.344 4.746 4.320 0.136 0.000 0.300 151 A C -3.105 174.557 177.584 0.130 0.000 1.054 151 A CA -0.934 51.192 52.037 0.149 0.000 0.858 151 A CB 1.246 20.348 19.000 0.169 0.000 1.333 151 A HN 0.111 8.369 8.150 0.180 0.000 0.391 152 P HA 0.219 4.881 4.420 0.403 0.000 0.333 152 P C -1.764 175.591 177.300 0.092 0.000 1.315 152 P CA -0.741 62.496 63.100 0.228 0.000 0.746 152 P CB 1.270 33.114 31.700 0.240 0.000 1.575 153 D N -3.776 116.656 120.400 0.053 0.000 2.714 153 D HA 0.018 4.640 4.640 -0.031 0.000 0.278 153 D C -0.525 175.758 176.300 -0.028 0.000 1.102 153 D CA -1.524 52.455 54.000 -0.035 0.000 1.108 153 D CB 1.851 42.575 40.800 -0.126 0.000 1.444 153 D HN -0.180 8.259 8.370 0.115 0.000 0.568 154 R N -2.993 117.466 120.500 -0.069 0.000 2.616 154 R HA 0.155 4.477 4.340 -0.030 0.000 0.427 154 R C -0.925 175.308 176.300 -0.112 0.000 1.030 154 R CA -0.619 55.446 56.100 -0.060 0.000 1.133 154 R CB 0.242 30.517 30.300 -0.042 0.000 1.444 154 R HN 0.345 8.556 8.270 -0.097 0.000 0.578 155 N N -0.125 118.448 118.700 -0.211 0.000 2.245 155 N HA -0.146 4.434 4.740 -0.267 0.000 0.185 155 N C 0.212 175.523 175.510 -0.332 0.000 1.036 155 N CA 1.988 54.809 53.050 -0.383 0.000 0.857 155 N CB 1.401 39.463 38.487 -0.708 0.000 1.015 155 N HN -0.426 8.039 8.380 -0.209 -0.210 0.436 156 H N -5.398 113.628 119.070 -0.073 0.000 3.474 156 H HA 0.255 4.789 4.556 -0.036 0.000 0.259 156 H C -0.814 174.476 175.328 -0.065 0.000 1.164 156 H CA -0.950 55.062 56.048 -0.059 0.000 1.078 156 H CB 1.300 31.024 29.762 -0.064 0.000 1.957 156 H HN -0.544 7.800 8.280 -0.253 -0.216 0.765 157 E N -2.807 117.463 120.200 0.116 0.000 2.883 157 E HA -0.446 4.109 4.350 0.053 -0.174 0.271 157 E C -1.289 175.268 176.600 -0.072 0.000 1.049 157 E CA 1.967 58.409 56.400 0.070 0.000 0.817 157 E CB -1.152 28.630 29.700 0.138 0.000 1.407 157 E HN 0.157 8.690 8.360 0.042 -0.148 0.434 158 R N -3.332 117.105 120.500 -0.105 0.000 2.546 158 R HA 0.127 4.275 4.340 -0.320 0.000 0.320 158 R C -1.539 174.414 176.300 -0.578 0.000 1.021 158 R CA -1.080 54.814 56.100 -0.344 0.000 1.088 158 R CB 0.991 31.028 30.300 -0.438 0.000 1.278 158 R HN -0.298 8.083 8.270 0.268 0.049 0.557 159 G N -1.937 106.363 108.800 -0.832 0.000 2.733 159 G HA2 0.423 3.968 3.960 -0.848 0.000 0.289 159 G HA3 0.423 4.118 3.960 -0.441 0.000 0.289 159 G C -2.052 172.219 174.900 -1.049 0.000 1.473 159 G CA 0.193 44.790 45.100 -0.838 0.000 1.123 159 G HN -0.885 7.025 8.290 -0.762 -0.077 0.544 160 F N 2.492 122.048 119.950 -0.658 0.000 2.631 160 F HA 0.485 4.795 4.527 -0.362 0.000 0.328 160 F C -1.966 173.291 175.800 -0.905 0.000 1.067 160 F CA -2.375 55.212 58.000 -0.688 0.000 0.969 160 F CB 4.089 42.744 39.000 -0.576 0.000 1.332 160 F HN -0.284 7.241 8.300 -1.291 0.000 0.490 161 S N -2.889 112.679 115.700 -0.220 0.000 2.567 161 S HA 0.333 4.647 4.470 -0.259 0.000 0.270 161 S C -2.307 172.247 174.600 -0.077 0.000 1.152 161 S CA -0.190 57.889 58.200 -0.202 0.000 0.835 161 S CB 2.836 65.952 63.200 -0.141 0.000 1.115 161 S HN 0.180 8.481 8.310 -0.014 0.000 0.459 162 Y N -4.459 115.989 120.300 0.247 0.000 2.512 162 Y HA 0.466 5.034 4.550 0.029 0.000 0.348 162 Y C -2.113 173.738 175.900 -0.083 0.000 0.990 162 Y CA -2.868 55.288 58.100 0.094 0.000 1.033 162 Y CB 2.078 40.640 38.460 0.169 0.000 1.259 162 Y HN 0.216 8.264 8.280 -0.386 0.000 0.461 163 I N -1.998 118.545 120.570 -0.045 0.000 2.607 163 I HA 0.138 4.181 4.170 -0.213 0.000 0.305 163 I C -1.130 174.877 176.117 -0.184 0.000 0.995 163 I CA -0.873 60.304 61.300 -0.205 0.000 1.148 163 I CB 2.352 40.154 38.000 -0.330 0.000 1.323 163 I HN -0.156 7.970 8.210 -0.141 0.000 0.461 164 C N 3.442 122.642 119.300 -0.168 0.000 2.781 164 C HA 0.301 4.735 4.460 -0.043 0.000 0.348 164 C C -1.022 173.965 174.990 -0.005 0.000 1.051 164 C CA -1.041 57.944 59.018 -0.055 0.000 1.347 164 C CB 1.167 28.933 27.740 0.043 0.000 1.846 164 C HN 0.436 8.441 8.230 -0.206 0.101 0.473 165 R N 6.897 127.423 120.500 0.043 0.000 3.074 165 R HA 0.059 4.568 4.340 0.119 -0.098 0.193 165 R C -0.887 175.389 176.300 -0.039 0.000 0.992 165 R CA 0.157 56.309 56.100 0.086 0.000 1.177 165 R CB 0.521 30.979 30.300 0.263 0.000 0.860 165 R HN -0.152 8.139 8.270 0.035 0.000 0.490 166 D N -0.365 119.951 120.400 -0.140 0.000 2.278 166 D HA -0.291 4.379 4.640 -0.175 -0.135 0.240 166 D C 0.374 176.632 176.300 -0.070 0.000 1.347 166 D CA 0.842 54.745 54.000 -0.161 0.000 0.945 166 D CB 0.072 40.733 40.800 -0.232 0.000 1.175 166 D HN 0.019 8.276 8.370 -0.188 0.000 0.519 167 G N -4.255 104.505 108.800 -0.066 0.000 2.176 167 G HA2 -0.208 3.731 3.960 -0.035 0.000 0.232 167 G HA3 -0.208 3.739 3.960 -0.022 0.000 0.232 167 G C -0.503 174.380 174.900 -0.028 0.000 0.986 167 G CA 0.385 45.463 45.100 -0.036 0.000 0.643 167 G HN 0.449 8.687 8.290 -0.087 0.000 0.522 168 T N -3.364 111.170 114.554 -0.033 0.000 3.669 168 T HA 0.077 4.414 4.350 -0.022 0.000 0.294 168 T C -0.331 174.357 174.700 -0.019 0.000 0.884 168 T CA 0.591 62.679 62.100 -0.020 0.000 0.815 168 T CB 0.149 69.014 68.868 -0.005 0.000 1.215 168 T HN -0.120 8.015 8.240 -0.049 0.076 0.815 169 T N 2.024 116.555 114.554 -0.040 0.000 3.041 169 T HA 0.201 4.536 4.350 -0.025 0.000 0.276 169 T C -0.955 173.685 174.700 -0.101 0.000 0.948 169 T CA -0.370 61.702 62.100 -0.045 0.000 0.885 169 T CB 1.424 70.281 68.868 -0.019 0.000 1.175 169 T HN -0.175 8.030 8.240 -0.058 0.000 0.529 170 R N -3.514 116.906 120.500 -0.132 0.000 3.946 170 R HA -0.243 3.989 4.340 -0.181 0.000 0.329 170 R C -1.695 174.419 176.300 -0.311 0.000 1.209 170 R CA 1.081 57.071 56.100 -0.183 0.000 0.909 170 R CB -1.744 28.480 30.300 -0.127 0.000 1.355 170 R HN 0.360 8.563 8.270 -0.111 0.000 0.539 171 R N -6.957 113.314 120.500 -0.381 0.000 2.789 171 R HA 0.143 3.824 4.340 -1.100 0.000 0.279 171 R C -2.410 173.580 176.300 -0.516 0.000 1.010 171 R CA -2.151 53.550 56.100 -0.666 0.000 0.855 171 R CB 1.502 31.543 30.300 -0.433 0.000 1.312 171 R HN -0.955 7.090 8.270 -0.271 0.063 0.479 172 W N -1.787 119.463 121.300 -0.082 0.000 2.387 172 W HA 0.144 4.748 4.660 -0.095 0.000 0.310 172 W C -0.748 175.732 176.519 -0.065 0.000 1.181 172 W CA -1.691 55.598 57.345 -0.093 0.000 1.333 172 W CB -0.272 29.107 29.460 -0.135 0.000 1.286 172 W HN 0.207 7.630 8.180 -1.262 0.000 0.455 173 M N 5.249 124.896 119.600 0.079 0.000 2.151 173 M HA 0.534 5.182 4.480 0.053 -0.136 0.290 173 M C -1.630 174.571 176.300 -0.165 0.000 0.965 173 M CA -0.751 54.556 55.300 0.012 0.000 0.930 173 M CB 3.959 36.586 32.600 0.045 0.000 1.560 173 M HN 0.424 8.641 8.290 0.055 0.105 0.438 174 C N 6.215 125.427 119.300 -0.146 0.000 2.303 174 C HA 0.401 4.700 4.460 -0.420 -0.092 0.326 174 C C -1.450 173.436 174.990 -0.174 0.000 1.285 174 C CA -2.667 56.204 59.018 -0.245 0.000 1.675 174 C CB 1.678 29.358 27.740 -0.101 0.000 2.289 174 C HN 0.726 8.933 8.230 -0.039 0.000 0.512 175 H N 7.387 126.596 119.070 0.232 0.000 2.467 175 H HA 0.315 5.019 4.556 0.115 -0.079 0.331 175 H C -0.501 174.888 175.328 0.101 0.000 1.120 175 H CA -1.397 54.793 56.048 0.237 0.000 1.270 175 H CB 1.815 31.916 29.762 0.566 0.000 1.466 175 H HN 0.462 8.452 8.280 -0.482 0.000 0.504 176 G N -1.133 107.734 108.800 0.111 0.000 2.498 176 G HA2 0.903 4.865 3.960 0.003 0.000 0.312 176 G HA3 0.903 4.840 3.960 -0.038 0.000 0.312 176 G C -2.822 172.168 174.900 0.150 0.000 1.230 176 G CA -1.498 43.625 45.100 0.038 0.000 0.968 176 G HN -0.232 8.080 8.290 0.036 0.000 0.481 177 F N -1.777 118.113 119.950 -0.099 0.000 2.817 177 F HA 0.612 5.277 4.527 -0.038 -0.160 0.317 177 F C -2.800 172.980 175.800 -0.033 0.000 1.168 177 F CA -1.937 56.051 58.000 -0.019 0.000 0.911 177 F CB 2.338 41.407 39.000 0.114 0.000 1.337 177 F HN 0.353 8.497 8.300 -0.260 0.000 0.464 178 L N -2.044 119.194 121.223 0.025 0.000 2.409 178 L HA 0.242 4.364 4.340 -0.454 -0.054 0.262 178 L C -1.369 175.543 176.870 0.071 0.000 0.992 178 L CA -0.962 53.787 54.840 -0.152 0.000 0.817 178 L CB 4.856 46.838 42.059 -0.128 0.000 1.350 178 L HN 0.035 8.430 8.230 0.275 0.000 0.411 179 A N -0.416 122.402 122.820 -0.004 0.000 2.404 179 A HA 0.175 4.685 4.320 0.316 0.000 0.273 179 A C 0.316 177.951 177.584 0.086 0.000 1.144 179 A CA -0.365 51.779 52.037 0.177 0.000 0.806 179 A CB 0.061 19.225 19.000 0.274 0.000 1.080 179 A HN 0.053 8.052 8.150 -0.251 0.000 0.509 180 C N 3.651 123.024 119.300 0.123 0.000 2.573 180 C HA -0.051 4.427 4.460 0.030 0.000 0.273 180 C C 0.380 175.393 174.990 0.039 0.000 1.346 180 C CA 1.071 60.129 59.018 0.067 0.000 1.702 180 C CB -0.362 27.429 27.740 0.085 0.000 1.751 180 C HN 0.289 8.630 8.230 0.186 0.000 0.583 181 K N -1.163 119.267 120.400 0.051 0.000 2.335 181 K HA 0.078 4.374 4.320 -0.039 0.000 0.195 181 K C -1.003 175.594 176.600 -0.005 0.000 1.058 181 K CA 0.064 56.350 56.287 -0.002 0.000 0.988 181 K CB 0.262 32.752 32.500 -0.017 0.000 0.880 181 K HN -0.105 8.097 8.250 0.099 0.108 0.513 182 D N -1.224 119.183 120.400 0.010 0.000 3.620 182 D HA -0.229 4.389 4.640 -0.038 0.000 0.237 182 D C -1.019 175.292 176.300 0.018 0.000 1.111 182 D CA 1.437 55.426 54.000 -0.018 0.000 1.070 182 D CB -1.320 39.446 40.800 -0.056 0.000 0.891 182 D HN -0.263 8.127 8.370 0.033 0.000 0.412 183 S N 0.035 115.779 115.700 0.073 0.000 2.462 183 S HA 0.090 4.599 4.470 0.066 0.000 0.269 183 S C 0.262 174.956 174.600 0.157 0.000 1.005 183 S CA 0.590 58.847 58.200 0.096 0.000 1.260 183 S CB 1.053 64.308 63.200 0.092 0.000 0.990 183 S HN -0.115 8.258 8.310 0.104 0.000 0.477 184 G N 2.264 111.207 108.800 0.239 0.000 2.246 184 G HA2 -0.255 4.030 3.960 0.542 0.000 0.273 184 G HA3 -0.255 4.009 3.960 0.278 -0.137 0.273 184 G C -0.995 174.075 174.900 0.283 0.000 1.055 184 G CA 0.660 45.959 45.100 0.331 0.000 0.851 184 G HN -0.229 8.211 8.290 0.251 0.000 0.500 185 E N -3.056 117.312 120.200 0.280 0.000 2.629 185 E HA 0.056 4.627 4.350 0.368 0.000 0.196 185 E C 0.457 177.250 176.600 0.321 0.000 0.977 185 E CA 0.120 56.712 56.400 0.320 0.000 1.663 185 E CB 0.832 30.710 29.700 0.297 0.000 2.258 185 E HN -0.030 8.496 8.360 0.277 0.000 1.079 186 R N -2.270 118.413 120.500 0.305 0.000 2.280 186 R HA -0.134 4.441 4.340 0.391 0.000 0.207 186 R C 0.140 176.651 176.300 0.352 0.000 1.043 186 R CA 2.472 58.802 56.100 0.382 0.000 1.006 186 R CB 0.228 30.777 30.300 0.414 0.000 0.885 186 R HN -0.033 8.402 8.270 0.275 0.000 0.467 187 L N -4.147 117.230 121.223 0.257 0.000 2.753 187 L HA 0.212 4.647 4.340 0.159 0.000 0.238 187 L C 1.634 178.453 176.870 -0.085 0.000 1.028 187 L CA 1.372 56.301 54.840 0.149 0.000 0.966 187 L CB 0.036 42.262 42.059 0.278 0.000 1.681 187 L HN -0.413 7.909 8.230 0.255 0.061 0.511 188 S N 0.231 115.801 115.700 -0.217 0.000 2.404 188 S HA -0.474 3.509 4.470 -0.813 0.000 0.216 188 S C 1.643 176.192 174.600 -0.085 0.000 1.039 188 S CA 4.584 62.550 58.200 -0.391 0.000 1.062 188 S CB -0.110 62.981 63.200 -0.182 0.000 1.046 188 S HN 0.125 8.421 8.310 -0.024 0.000 0.415 189 H N 1.301 120.397 119.070 0.045 0.000 2.457 189 H HA -0.262 4.356 4.556 0.104 0.000 0.297 189 H C 1.299 176.632 175.328 0.009 0.000 1.092 189 H CA 2.843 58.954 56.048 0.105 0.000 1.309 189 H CB 0.092 30.025 29.762 0.285 0.000 1.382 189 H HN 0.190 8.602 8.280 0.220 0.000 0.535 190 A N -1.351 121.545 122.820 0.126 0.000 1.877 190 A HA -0.285 3.989 4.320 -0.075 0.000 0.216 190 A C 2.170 179.764 177.584 0.017 0.000 1.186 190 A CA 2.872 54.918 52.037 0.016 0.000 0.620 190 A CB -0.647 18.375 19.000 0.037 0.000 0.822 190 A HN -0.372 7.838 8.150 0.153 0.032 0.443 191 V N -1.149 118.786 119.914 0.034 0.000 2.427 191 V HA -0.370 3.793 4.120 0.072 0.000 0.248 191 V C 1.676 177.854 176.094 0.140 0.000 1.051 191 V CA 1.895 64.235 62.300 0.067 0.000 1.048 191 V CB -0.771 31.082 31.823 0.050 0.000 0.666 191 V HN -0.166 8.029 8.190 0.009 0.000 0.456 192 G N -3.119 105.759 108.800 0.129 0.000 2.535 192 G HA2 -0.149 3.980 3.960 0.281 0.000 0.218 192 G HA3 -0.149 3.915 3.960 0.173 0.000 0.218 192 G C -0.150 174.941 174.900 0.318 0.000 1.122 192 G CA 1.802 47.048 45.100 0.243 0.000 0.769 192 G HN -0.161 8.096 8.290 0.070 0.076 0.549 193 C N -1.211 118.164 119.300 0.126 0.000 3.019 193 C HA 0.190 4.599 4.460 -0.085 0.000 0.295 193 C C 0.217 175.160 174.990 -0.079 0.000 1.256 193 C CA 0.244 59.237 59.018 -0.043 0.000 1.706 193 C CB 1.477 29.117 27.740 -0.166 0.000 2.153 193 C HN -0.686 7.405 8.230 0.093 0.195 0.618 194 A N 2.286 125.126 122.820 0.033 0.000 1.858 194 A HA -0.287 4.014 4.320 -0.031 0.000 0.216 194 A C 1.325 178.933 177.584 0.039 0.000 1.190 194 A CA 3.101 55.154 52.037 0.027 0.000 0.617 194 A CB -0.746 18.296 19.000 0.070 0.000 0.827 194 A HN -0.296 7.770 8.150 0.093 0.139 0.443 195 F N -2.885 117.064 119.950 -0.001 0.000 2.171 195 F HA -0.412 4.120 4.527 0.007 0.000 0.300 195 F C 1.060 176.861 175.800 0.001 0.000 1.090 195 F CA 2.175 60.179 58.000 0.008 0.000 1.293 195 F CB -0.991 38.025 39.000 0.027 0.000 1.013 195 F HN -0.781 7.791 8.300 0.453 0.000 0.486 196 A N -1.736 120.374 122.820 -1.182 0.000 2.024 196 A HA -0.248 3.402 4.320 -1.116 0.000 0.220 196 A C 0.779 178.125 177.584 -0.397 0.000 1.164 196 A CA 2.653 54.120 52.037 -0.949 0.000 0.643 196 A CB -0.892 17.655 19.000 -0.755 0.000 0.806 196 A HN 0.258 7.739 8.150 -1.097 0.011 0.451 197 V N -4.235 115.523 119.914 -0.261 0.000 3.307 197 V HA -0.119 3.915 4.120 -0.144 0.000 0.253 197 V C 1.267 177.306 176.094 -0.093 0.000 1.149 197 V CA 2.540 64.751 62.300 -0.148 0.000 1.112 197 V CB 0.379 32.131 31.823 -0.119 0.000 0.777 197 V HN -0.708 7.171 8.190 -0.260 0.156 0.464 198 C N 1.422 120.681 119.300 -0.069 0.000 2.432 198 C HA -0.219 4.231 4.460 -0.017 0.000 0.280 198 C C 0.614 175.597 174.990 -0.011 0.000 1.353 198 C CA 2.522 61.532 59.018 -0.014 0.000 1.766 198 C CB -0.202 27.565 27.740 0.044 0.000 1.924 198 C HN -0.239 7.813 8.230 -0.089 0.124 0.509 199 L N -4.162 117.043 121.223 -0.030 0.000 2.928 199 L HA 0.256 4.597 4.340 0.001 0.000 0.246 199 L C 0.140 176.988 176.870 -0.038 0.000 1.239 199 L CA 0.070 54.901 54.840 -0.015 0.000 1.035 199 L CB -1.618 40.449 42.059 0.012 0.000 1.360 199 L HN -0.541 7.621 8.230 -0.071 0.025 0.529 200 E N 0.426 120.596 120.200 -0.050 0.000 2.204 200 E HA -0.219 4.096 4.350 -0.059 0.000 0.194 200 E C 0.138 176.719 176.600 -0.032 0.000 0.989 200 E CA 1.767 58.137 56.400 -0.051 0.000 0.824 200 E CB 0.448 30.114 29.700 -0.056 0.000 0.756 200 E HN -0.390 7.770 8.360 -0.051 0.169 0.477 201 R N 0.000 120.486 120.500 -0.024 0.000 2.786 201 R HA 0.000 4.330 4.340 -0.017 0.000 0.208 201 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 201 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 201 R HN 0.000 8.231 8.270 -0.023 0.025 0.535