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 2k74_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRFLNQASQ GRGAWLLMAF TALALELTAL WFQHVMLLKP cVLSIYERAA DATA SEQUENCE LFGVLGAALI GAIAPKTPLR YVAMVIWLYS AFRGVQLTYE HTMLQLYPSP DATA SEQUENCE FATSDFMVRF PEWLPLDKWV PQVFVASGDc AERQWDFLGL EMPQWLLGIF DATA SEQUENCE IAYLIVAVLV VISQPFKAKK RDLFGRGHHH HHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.647 4.480 0.279 0.000 0.227 1 M C 0.000 176.411 176.300 0.185 0.000 1.140 1 M CA 0.000 55.428 55.300 0.213 0.000 0.988 1 M CB 0.000 32.655 32.600 0.092 0.000 1.302 2 L N 1.040 122.321 121.223 0.097 0.000 2.083 2 L HA -0.304 4.062 4.340 0.043 0.000 0.209 2 L C 1.343 178.227 176.870 0.024 0.000 1.083 2 L CA 3.326 58.196 54.840 0.050 0.000 0.752 2 L CB -1.483 40.593 42.059 0.028 0.000 0.899 2 L HN 0.254 8.533 8.230 0.082 0.000 0.433 3 R N -3.088 117.405 120.500 -0.012 0.000 2.117 3 R HA -0.343 3.931 4.340 -0.111 0.000 0.243 3 R C 2.820 178.997 176.300 -0.205 0.000 1.143 3 R CA 2.632 58.648 56.100 -0.141 0.000 0.968 3 R CB -0.701 29.451 30.300 -0.246 0.000 0.863 3 R HN 0.336 8.607 8.270 0.017 0.009 0.444 4 F N -0.610 119.321 119.950 -0.031 0.000 2.163 4 F HA -0.178 4.328 4.527 -0.036 0.000 0.297 4 F C 1.987 177.752 175.800 -0.059 0.000 1.094 4 F CA 3.313 61.289 58.000 -0.040 0.000 1.290 4 F CB -0.274 38.704 39.000 -0.037 0.000 1.017 4 F HN -0.938 7.349 8.300 0.169 0.114 0.483 5 L N -0.681 120.614 121.223 0.120 0.000 2.051 5 L HA -0.545 3.794 4.340 -0.002 0.000 0.214 5 L C 2.275 179.117 176.870 -0.046 0.000 1.076 5 L CA 3.466 58.311 54.840 0.009 0.000 0.758 5 L CB -1.241 40.808 42.059 -0.017 0.000 0.890 5 L HN -0.415 7.835 8.230 0.152 0.071 0.433 6 N N -2.538 116.133 118.700 -0.048 0.000 2.309 6 N HA -0.239 4.450 4.740 -0.085 0.000 0.182 6 N C 2.389 177.864 175.510 -0.058 0.000 1.018 6 N CA 2.413 55.420 53.050 -0.070 0.000 0.876 6 N CB 0.113 38.553 38.487 -0.077 0.000 0.972 6 N HN -0.444 7.908 8.380 -0.036 0.007 0.434 7 Q N 0.694 120.470 119.800 -0.040 0.000 2.062 7 Q HA -0.149 4.172 4.340 -0.031 0.000 0.196 7 Q C 0.996 176.992 176.000 -0.007 0.000 0.967 7 Q CA 2.406 58.198 55.803 -0.019 0.000 0.832 7 Q CB -0.109 28.630 28.738 0.001 0.000 0.899 7 Q HN 0.108 8.176 8.270 -0.029 0.184 0.442 8 A N -3.082 119.735 122.820 -0.005 0.000 1.972 8 A HA -0.147 4.156 4.320 -0.028 0.000 0.219 8 A C 2.454 179.947 177.584 -0.151 0.000 1.169 8 A CA 2.315 54.320 52.037 -0.053 0.000 0.635 8 A CB -0.180 18.786 19.000 -0.057 0.000 0.810 8 A HN 0.238 8.299 8.150 0.029 0.106 0.446 9 S N -2.179 113.409 115.700 -0.186 0.000 2.377 9 S HA -0.318 3.797 4.470 -0.593 0.000 0.223 9 S C 1.199 175.722 174.600 -0.128 0.000 1.030 9 S CA 2.262 60.259 58.200 -0.338 0.000 0.970 9 S CB 0.154 63.176 63.200 -0.295 0.000 0.830 9 S HN -0.229 7.979 8.310 -0.130 0.024 0.473 10 Q N 1.620 121.424 119.800 0.007 0.000 2.557 10 Q HA -0.151 4.325 4.340 0.227 0.000 0.217 10 Q C -0.357 175.719 176.000 0.127 0.000 0.978 10 Q CA 0.016 55.887 55.803 0.113 0.000 0.950 10 Q CB 0.059 28.821 28.738 0.041 0.000 0.991 10 Q HN -0.654 7.519 8.270 -0.035 0.076 0.533 11 G N -1.938 106.908 108.800 0.077 0.000 2.371 11 G HA2 0.205 4.219 3.960 0.089 0.000 0.326 11 G HA3 0.205 4.182 3.960 0.028 0.000 0.326 11 G C -0.815 174.198 174.900 0.188 0.000 1.127 11 G CA -1.249 43.902 45.100 0.085 0.000 0.885 11 G HN -0.786 7.256 8.290 -0.014 0.239 0.477 12 R N 4.340 124.953 120.500 0.188 0.000 2.066 12 R HA -0.259 4.323 4.340 0.404 0.000 0.232 12 R C 2.388 178.795 176.300 0.179 0.000 1.131 12 R CA 3.472 59.714 56.100 0.236 0.000 0.955 12 R CB -0.434 29.943 30.300 0.127 0.000 0.851 12 R HN 0.465 8.810 8.270 0.125 0.000 0.432 13 G N -1.951 106.902 108.800 0.089 0.000 2.556 13 G HA2 -0.343 3.649 3.960 0.053 0.000 0.220 13 G HA3 -0.343 3.631 3.960 0.023 0.000 0.220 13 G C 0.941 175.862 174.900 0.035 0.000 1.156 13 G CA 2.271 47.401 45.100 0.049 0.000 0.766 13 G HN 0.259 8.593 8.290 0.073 0.000 0.583 14 A N 1.137 123.947 122.820 -0.016 0.000 1.877 14 A HA -0.208 4.058 4.320 -0.091 0.000 0.216 14 A C 1.932 179.455 177.584 -0.102 0.000 1.186 14 A CA 2.296 54.262 52.037 -0.119 0.000 0.620 14 A CB -0.908 17.936 19.000 -0.259 0.000 0.822 14 A HN -0.088 8.050 8.150 -0.013 0.004 0.443 15 W N -1.807 119.492 121.300 -0.000 0.000 2.335 15 W HA -0.380 4.287 4.660 0.012 0.000 0.311 15 W C 2.083 178.632 176.519 0.049 0.000 1.213 15 W CA 3.063 60.417 57.345 0.015 0.000 1.274 15 W CB -0.038 29.424 29.460 0.003 0.000 1.148 15 W HN -0.717 7.429 8.180 0.069 0.075 0.498 16 L N -1.880 119.511 121.223 0.280 0.000 2.191 16 L HA -0.354 4.112 4.340 0.210 0.000 0.212 16 L C 1.559 178.537 176.870 0.182 0.000 1.103 16 L CA 3.356 58.314 54.840 0.197 0.000 0.769 16 L CB -0.208 41.928 42.059 0.128 0.000 0.908 16 L HN 0.452 8.840 8.230 0.264 0.000 0.438 17 L N -1.720 119.584 121.223 0.135 0.000 2.093 17 L HA -0.314 4.107 4.340 0.134 0.000 0.208 17 L C 1.609 178.595 176.870 0.193 0.000 1.085 17 L CA 3.044 57.960 54.840 0.126 0.000 0.755 17 L CB -0.092 41.991 42.059 0.041 0.000 0.904 17 L HN -0.951 7.192 8.230 0.107 0.151 0.435 18 M N -2.030 117.679 119.600 0.181 0.000 2.229 18 M HA -0.260 4.369 4.480 0.248 0.000 0.264 18 M C 2.569 179.061 176.300 0.320 0.000 1.063 18 M CA 1.758 57.212 55.300 0.257 0.000 1.114 18 M CB -1.194 31.552 32.600 0.243 0.000 1.387 18 M HN -0.468 7.810 8.290 0.149 0.101 0.420 19 A N 0.217 123.206 122.820 0.282 0.000 1.873 19 A HA -0.235 4.199 4.320 0.189 0.000 0.215 19 A C 1.757 179.447 177.584 0.176 0.000 1.186 19 A CA 2.989 55.154 52.037 0.213 0.000 0.616 19 A CB -1.026 18.087 19.000 0.188 0.000 0.823 19 A HN -0.470 7.744 8.150 0.282 0.105 0.442 20 F N -1.517 118.483 119.950 0.084 0.000 2.216 20 F HA -0.358 4.194 4.527 0.042 0.000 0.300 20 F C 1.191 177.024 175.800 0.056 0.000 1.085 20 F CA 3.261 61.294 58.000 0.055 0.000 1.326 20 F CB 0.220 39.245 39.000 0.042 0.000 1.027 20 F HN -0.395 8.124 8.300 0.364 0.000 0.497 21 T N 2.467 117.094 114.554 0.121 0.000 2.622 21 T HA -0.555 3.800 4.350 0.007 0.000 0.266 21 T C 1.698 176.344 174.700 -0.090 0.000 1.047 21 T CA 5.336 67.461 62.100 0.043 0.000 1.159 21 T CB -0.716 68.278 68.868 0.210 0.000 0.863 21 T HN -0.510 7.790 8.240 0.272 0.103 0.422 22 A N 0.449 123.242 122.820 -0.045 0.000 2.019 22 A HA -0.188 4.042 4.320 -0.151 0.000 0.219 22 A C 2.101 179.606 177.584 -0.132 0.000 1.164 22 A CA 2.754 54.719 52.037 -0.119 0.000 0.644 22 A CB -0.843 18.080 19.000 -0.129 0.000 0.805 22 A HN -0.583 7.603 8.150 0.059 0.000 0.449 23 L N -0.692 120.422 121.223 -0.182 0.000 2.095 23 L HA -0.077 4.196 4.340 -0.112 0.000 0.204 23 L C 1.709 178.389 176.870 -0.316 0.000 1.080 23 L CA 1.675 56.387 54.840 -0.213 0.000 0.759 23 L CB -1.084 40.845 42.059 -0.216 0.000 0.914 23 L HN -0.340 7.646 8.230 -0.175 0.139 0.439 24 A N -0.536 121.956 122.820 -0.546 0.000 2.070 24 A HA -0.276 3.755 4.320 -0.483 0.000 0.220 24 A C 2.465 179.919 177.584 -0.217 0.000 1.159 24 A CA 3.198 54.942 52.037 -0.489 0.000 0.656 24 A CB -0.722 17.928 19.000 -0.584 0.000 0.800 24 A HN 0.631 8.188 8.150 -0.671 0.191 0.453 25 L N -1.754 119.370 121.223 -0.165 0.000 2.145 25 L HA 0.013 4.310 4.340 -0.073 0.000 0.201 25 L C 2.284 179.129 176.870 -0.041 0.000 1.075 25 L CA 2.803 57.590 54.840 -0.088 0.000 0.773 25 L CB 0.101 42.108 42.059 -0.087 0.000 0.936 25 L HN -0.446 7.528 8.230 -0.194 0.140 0.451 26 E N -0.151 120.024 120.200 -0.042 0.000 2.110 26 E HA -0.375 3.989 4.350 0.023 0.000 0.193 26 E C 2.817 179.439 176.600 0.036 0.000 0.988 26 E CA 3.307 59.714 56.400 0.011 0.000 0.804 26 E CB -0.012 29.708 29.700 0.034 0.000 0.745 26 E HN -0.468 7.847 8.360 -0.075 0.000 0.458 27 L N -1.664 119.560 121.223 0.001 0.000 2.049 27 L HA -0.216 4.176 4.340 0.087 0.000 0.203 27 L C 1.149 178.065 176.870 0.076 0.000 1.074 27 L CA 3.485 58.344 54.840 0.032 0.000 0.749 27 L CB 0.177 42.205 42.059 -0.051 0.000 0.907 27 L HN 0.317 8.504 8.230 -0.054 0.011 0.439 28 T N -0.993 113.576 114.554 0.025 0.000 2.721 28 T HA -0.501 3.874 4.350 0.041 0.000 0.268 28 T C 1.935 176.761 174.700 0.209 0.000 1.038 28 T CA 3.724 65.870 62.100 0.077 0.000 1.145 28 T CB -0.838 68.058 68.868 0.045 0.000 0.858 28 T HN -0.578 7.642 8.240 -0.033 0.000 0.459 29 A N 0.738 123.667 122.820 0.180 0.000 1.898 29 A HA -0.148 4.363 4.320 0.318 0.000 0.214 29 A C 1.343 179.070 177.584 0.238 0.000 1.183 29 A CA 2.401 54.570 52.037 0.220 0.000 0.622 29 A CB -0.378 18.691 19.000 0.115 0.000 0.824 29 A HN -0.571 7.630 8.150 0.111 0.016 0.444 30 L N -1.554 119.793 121.223 0.207 0.000 2.349 30 L HA -0.300 4.129 4.340 0.148 0.000 0.220 30 L C 1.355 178.413 176.870 0.312 0.000 1.130 30 L CA 3.090 58.061 54.840 0.218 0.000 0.791 30 L CB -0.056 42.133 42.059 0.216 0.000 0.918 30 L HN -0.621 7.640 8.230 0.170 0.071 0.444 31 W N -2.504 118.841 121.300 0.075 0.000 2.630 31 W HA -0.180 4.522 4.660 0.070 0.000 0.271 31 W C 0.961 177.497 176.519 0.029 0.000 1.244 31 W CA 1.843 59.208 57.345 0.034 0.000 1.353 31 W CB 1.277 30.705 29.460 -0.054 0.000 1.080 31 W HN -0.452 7.810 8.180 0.429 0.175 0.594 32 F N 0.451 120.478 119.950 0.128 0.000 2.161 32 F HA -0.513 4.004 4.527 -0.016 0.000 0.300 32 F C 1.791 177.572 175.800 -0.032 0.000 1.089 32 F CA 4.468 62.471 58.000 0.005 0.000 1.282 32 F CB -0.020 38.963 39.000 -0.028 0.000 1.010 32 F HN -0.663 7.775 8.300 0.406 0.106 0.485 33 Q N -1.207 118.708 119.800 0.192 0.000 2.123 33 Q HA -0.392 4.061 4.340 0.090 -0.060 0.199 33 Q C 1.536 177.511 176.000 -0.042 0.000 0.966 33 Q CA 3.456 59.297 55.803 0.064 0.000 0.845 33 Q CB -0.024 28.723 28.738 0.016 0.000 0.907 33 Q HN -0.333 8.053 8.270 0.212 0.011 0.439 34 H N -2.756 116.203 119.070 -0.186 0.000 2.559 34 H HA -0.165 4.244 4.556 -0.244 0.000 0.273 34 H C 1.158 176.272 175.328 -0.356 0.000 1.000 34 H CA 2.489 58.333 56.048 -0.340 0.000 1.195 34 H CB 0.069 29.453 29.762 -0.630 0.000 1.368 34 H HN -0.497 7.696 8.280 -0.012 0.080 0.592 35 V N -1.093 118.738 119.914 -0.138 0.000 2.806 35 V HA -0.115 3.914 4.120 -0.151 0.000 0.239 35 V C 0.540 176.611 176.094 -0.038 0.000 1.113 35 V CA 2.068 64.285 62.300 -0.139 0.000 1.137 35 V CB 1.342 33.037 31.823 -0.215 0.000 0.865 35 V HN -0.388 7.549 8.190 -0.090 0.199 0.482 36 M N -2.198 117.426 119.600 0.040 0.000 2.453 36 M HA 0.115 4.641 4.480 0.076 0.000 0.239 36 M C -0.093 176.244 176.300 0.062 0.000 1.151 36 M CA -1.091 54.268 55.300 0.099 0.000 0.989 36 M CB -0.139 32.601 32.600 0.234 0.000 1.548 36 M HN 0.157 8.368 8.290 0.069 0.120 0.479 37 L N -1.832 119.396 121.223 0.009 0.000 3.829 37 L HA -0.459 3.925 4.340 -0.071 -0.086 0.440 37 L C -1.607 175.261 176.870 -0.002 0.000 1.192 37 L CA 0.434 55.260 54.840 -0.024 0.000 0.848 37 L CB -2.878 39.169 42.059 -0.020 0.000 1.744 37 L HN -0.435 7.697 8.230 -0.011 0.091 0.920 38 L N -2.966 118.271 121.223 0.022 0.000 2.452 38 L HA -0.093 4.272 4.340 0.042 0.000 0.267 38 L C -0.575 176.293 176.870 -0.002 0.000 1.188 38 L CA 0.700 55.559 54.840 0.032 0.000 0.821 38 L CB 0.562 42.657 42.059 0.061 0.000 1.102 38 L HN -1.000 7.242 8.230 0.035 0.008 0.470 39 K N 0.467 120.869 120.400 0.003 0.000 2.404 39 K HA 0.350 4.654 4.320 -0.026 0.000 0.257 39 K C -1.779 174.814 176.600 -0.010 0.000 1.026 39 K CA -3.665 52.616 56.287 -0.011 0.000 0.951 39 K CB -0.192 32.305 32.500 -0.005 0.000 1.203 39 K HN 0.113 8.373 8.250 0.016 0.000 0.446 40 P HA -0.134 4.274 4.420 -0.021 0.000 0.271 40 P C -1.382 175.902 177.300 -0.027 0.000 1.233 40 P CA -0.329 62.754 63.100 -0.028 0.000 0.795 40 P CB 0.585 32.258 31.700 -0.045 0.000 0.936 41 c N -3.539 115.040 118.600 -0.035 0.000 3.161 41 c HA 0.188 4.742 4.570 -0.027 0.000 0.330 41 c C 0.406 174.466 174.090 -0.050 0.000 1.396 41 c CA -2.134 54.175 56.329 -0.034 0.000 1.536 41 c CB 3.476 45.969 42.510 -0.027 0.000 1.978 41 c HN -0.311 7.894 8.230 -0.041 0.000 0.454 42 V N 0.641 120.526 119.914 -0.048 0.000 2.295 42 V HA -0.327 3.763 4.120 -0.050 0.000 0.246 42 V C 2.285 178.355 176.094 -0.040 0.000 1.049 42 V CA 4.163 66.434 62.300 -0.047 0.000 1.024 42 V CB -0.566 31.230 31.823 -0.046 0.000 0.648 42 V HN 0.099 8.264 8.190 -0.041 0.000 0.447 43 L N -1.758 119.421 121.223 -0.074 0.000 2.017 43 L HA -0.317 3.954 4.340 -0.114 0.000 0.208 43 L C 1.983 178.809 176.870 -0.073 0.000 1.073 43 L CA 3.076 57.839 54.840 -0.129 0.000 0.745 43 L CB -1.110 40.800 42.059 -0.249 0.000 0.894 43 L HN -0.073 8.110 8.230 -0.079 0.000 0.432 44 S N -0.993 114.665 115.700 -0.070 0.000 2.380 44 S HA -0.393 4.045 4.470 -0.054 0.000 0.229 44 S C 2.126 176.682 174.600 -0.073 0.000 1.043 44 S CA 3.646 61.810 58.200 -0.060 0.000 1.038 44 S CB -0.390 62.779 63.200 -0.052 0.000 0.872 44 S HN -0.797 7.470 8.310 -0.070 0.000 0.456 45 I N 1.160 121.664 120.570 -0.110 0.000 2.226 45 I HA -0.537 3.486 4.170 -0.245 0.000 0.245 45 I C 1.352 177.359 176.117 -0.184 0.000 1.100 45 I CA 4.042 65.210 61.300 -0.220 0.000 1.374 45 I CB -0.245 37.567 38.000 -0.314 0.000 1.057 45 I HN -0.771 7.378 8.210 -0.097 0.003 0.413 46 Y N 0.255 120.451 120.300 -0.173 0.000 2.114 46 Y HA -0.594 3.906 4.550 -0.085 0.000 0.282 46 Y C 2.119 177.963 175.900 -0.093 0.000 1.165 46 Y CA 3.809 61.844 58.100 -0.108 0.000 1.148 46 Y CB -0.433 37.973 38.460 -0.089 0.000 0.972 46 Y HN -0.700 7.518 8.280 0.034 0.082 0.504 47 E N -1.534 118.731 120.200 0.108 0.000 2.077 47 E HA -0.375 3.955 4.350 -0.032 0.000 0.193 47 E C 2.538 179.150 176.600 0.020 0.000 0.989 47 E CA 2.982 59.385 56.400 0.005 0.000 0.800 47 E CB -0.713 28.955 29.700 -0.054 0.000 0.746 47 E HN -0.129 8.272 8.360 0.068 0.000 0.452 48 R N -0.659 119.832 120.500 -0.014 0.000 2.096 48 R HA -0.328 4.029 4.340 0.028 0.000 0.235 48 R C 2.039 178.363 176.300 0.039 0.000 1.127 48 R CA 2.852 58.945 56.100 -0.011 0.000 0.968 48 R CB -0.236 30.004 30.300 -0.100 0.000 0.861 48 R HN -0.021 8.145 8.270 -0.044 0.079 0.440 49 A N -1.799 121.007 122.820 -0.025 0.000 1.930 49 A HA -0.184 4.168 4.320 0.053 0.000 0.217 49 A C 2.029 179.716 177.584 0.173 0.000 1.175 49 A CA 2.782 54.838 52.037 0.032 0.000 0.627 49 A CB -0.960 17.981 19.000 -0.098 0.000 0.815 49 A HN 0.380 8.383 8.150 -0.081 0.098 0.443 50 A N -0.670 122.264 122.820 0.191 0.000 1.883 50 A HA -0.255 4.227 4.320 0.269 0.000 0.217 50 A C 1.978 179.713 177.584 0.252 0.000 1.186 50 A CA 2.971 55.164 52.037 0.259 0.000 0.624 50 A CB -0.610 18.523 19.000 0.222 0.000 0.822 50 A HN -0.190 7.977 8.150 0.166 0.083 0.444 51 L N -1.622 119.735 121.223 0.223 0.000 2.049 51 L HA -0.186 4.162 4.340 0.012 0.000 0.203 51 L C 1.214 178.109 176.870 0.042 0.000 1.074 51 L CA 2.486 57.382 54.840 0.095 0.000 0.749 51 L CB -0.222 41.879 42.059 0.070 0.000 0.907 51 L HN -0.499 7.849 8.230 0.198 0.000 0.439 52 F N -0.015 119.924 119.950 -0.019 0.000 2.115 52 F HA -0.351 4.272 4.527 -0.024 -0.110 0.300 52 F C 2.002 177.799 175.800 -0.005 0.000 1.092 52 F CA 3.462 61.450 58.000 -0.019 0.000 1.245 52 F CB -0.283 38.702 39.000 -0.024 0.000 0.995 52 F HN 0.631 8.976 8.300 0.256 0.108 0.481 53 G N -2.780 106.117 108.800 0.161 0.000 2.402 53 G HA2 -0.352 3.661 3.960 0.088 0.000 0.216 53 G HA3 -0.352 3.694 3.960 0.143 0.000 0.216 53 G C 0.819 175.678 174.900 -0.067 0.000 1.162 53 G CA 2.137 47.282 45.100 0.076 0.000 0.777 53 G HN -0.028 8.307 8.290 0.263 0.114 0.539 54 V N 3.434 123.281 119.914 -0.112 0.000 2.295 54 V HA -0.440 3.551 4.120 -0.214 0.000 0.246 54 V C 1.525 177.521 176.094 -0.164 0.000 1.049 54 V CA 3.989 66.143 62.300 -0.244 0.000 1.024 54 V CB -0.182 31.344 31.823 -0.495 0.000 0.648 54 V HN -0.753 7.315 8.190 -0.063 0.085 0.447 55 L N -0.465 120.649 121.223 -0.181 0.000 2.034 55 L HA -0.426 3.902 4.340 -0.020 0.000 0.217 55 L C 2.055 178.856 176.870 -0.115 0.000 1.077 55 L CA 3.389 58.150 54.840 -0.133 0.000 0.769 55 L CB -0.850 41.067 42.059 -0.237 0.000 0.890 55 L HN 0.670 8.665 8.230 -0.202 0.114 0.435 56 G N -3.163 105.502 108.800 -0.224 0.000 2.421 56 G HA2 -0.437 3.428 3.960 -0.159 0.000 0.216 56 G HA3 -0.437 3.409 3.960 -0.190 0.000 0.216 56 G C 0.689 175.559 174.900 -0.050 0.000 1.171 56 G CA 1.819 46.822 45.100 -0.161 0.000 0.775 56 G HN -0.521 7.572 8.290 -0.330 -0.001 0.543 57 A N 1.755 124.570 122.820 -0.008 0.000 1.948 57 A HA -0.312 4.026 4.320 0.031 0.000 0.220 57 A C 1.855 179.509 177.584 0.117 0.000 1.177 57 A CA 2.883 54.963 52.037 0.071 0.000 0.636 57 A CB -0.807 18.281 19.000 0.147 0.000 0.815 57 A HN -0.257 7.795 8.150 -0.043 0.073 0.449 58 A N -2.807 120.140 122.820 0.213 0.000 1.969 58 A HA -0.199 4.295 4.320 0.290 0.000 0.218 58 A C 2.154 179.732 177.584 -0.010 0.000 1.169 58 A CA 2.880 55.077 52.037 0.266 0.000 0.635 58 A CB -0.697 18.599 19.000 0.493 0.000 0.810 58 A HN 0.350 8.495 8.150 0.176 0.111 0.445 59 L N -3.009 118.210 121.223 -0.007 0.000 2.240 59 L HA -0.298 4.016 4.340 -0.043 0.000 0.211 59 L C 1.573 178.369 176.870 -0.124 0.000 1.106 59 L CA 2.520 57.328 54.840 -0.055 0.000 0.793 59 L CB -0.044 41.998 42.059 -0.028 0.000 0.927 59 L HN -0.421 7.687 8.230 0.017 0.132 0.446 60 I N -1.275 119.224 120.570 -0.118 0.000 2.400 60 I HA -0.197 3.907 4.170 -0.111 0.000 0.248 60 I C 2.420 178.408 176.117 -0.215 0.000 1.109 60 I CA 3.038 64.262 61.300 -0.127 0.000 1.425 60 I CB 0.151 38.107 38.000 -0.074 0.000 1.094 60 I HN -0.062 7.964 8.210 -0.080 0.136 0.425 61 G N -0.842 107.781 108.800 -0.295 0.000 2.422 61 G HA2 -0.246 3.527 3.960 -0.313 0.000 0.218 61 G HA3 -0.246 3.418 3.960 -0.495 0.000 0.218 61 G C 0.423 174.879 174.900 -0.741 0.000 1.140 61 G CA 1.698 46.527 45.100 -0.452 0.000 0.775 61 G HN 0.492 8.535 8.290 -0.227 0.111 0.545 62 A N 0.420 122.674 122.820 -0.943 0.000 2.248 62 A HA -0.161 3.091 4.320 -1.780 0.000 0.210 62 A C 0.170 177.468 177.584 -0.477 0.000 1.174 62 A CA 1.263 52.649 52.037 -1.086 0.000 0.750 62 A CB -0.653 17.904 19.000 -0.738 0.000 0.780 62 A HN -0.384 7.303 8.150 -0.742 0.018 0.478 63 I N -3.743 116.622 120.570 -0.341 0.000 2.716 63 I HA -0.229 3.851 4.170 -0.150 0.000 0.259 63 I C -0.206 175.817 176.117 -0.157 0.000 1.172 63 I CA 1.559 62.744 61.300 -0.190 0.000 1.478 63 I CB 0.407 38.321 38.000 -0.144 0.000 1.104 63 I HN -0.762 6.996 8.210 -0.376 0.227 0.439 64 A N -1.561 121.144 122.820 -0.193 0.000 3.024 64 A HA 0.357 4.617 4.320 -0.099 0.000 0.251 64 A C -2.708 174.789 177.584 -0.144 0.000 1.267 64 A CA -0.474 51.485 52.037 -0.130 0.000 1.050 64 A CB -0.229 18.715 19.000 -0.093 0.000 1.400 64 A HN -0.537 7.426 8.150 -0.271 0.025 0.756 65 P HA -0.033 4.287 4.420 -0.165 0.000 0.252 65 P C -0.715 176.549 177.300 -0.060 0.000 1.265 65 P CA 0.587 63.624 63.100 -0.104 0.000 0.775 65 P CB 0.165 31.893 31.700 0.047 0.000 1.128 66 K N -6.104 114.259 120.400 -0.061 0.000 2.373 66 K HA 0.058 4.344 4.320 -0.056 0.000 0.200 66 K C -0.690 175.872 176.600 -0.063 0.000 1.054 66 K CA -0.376 55.879 56.287 -0.053 0.000 1.065 66 K CB 0.557 33.040 32.500 -0.029 0.000 0.886 66 K HN 0.146 8.219 8.250 -0.068 0.136 0.546 67 T N 0.564 115.073 114.554 -0.075 0.000 2.950 67 T HA 0.546 4.874 4.350 -0.038 0.000 0.288 67 T C -1.505 173.149 174.700 -0.077 0.000 1.035 67 T CA -3.313 58.753 62.100 -0.057 0.000 1.028 67 T CB 0.969 69.812 68.868 -0.042 0.000 1.109 67 T HN -0.570 7.462 8.240 -0.088 0.156 0.514 68 P HA -0.295 4.171 4.420 0.077 0.000 0.220 68 P C 0.532 177.813 177.300 -0.032 0.000 1.144 68 P CA 2.389 65.520 63.100 0.052 0.000 0.808 68 P CB -0.128 31.660 31.700 0.146 0.000 0.763 69 L N -3.480 117.702 121.223 -0.068 0.000 2.151 69 L HA -0.474 3.845 4.340 -0.035 0.000 0.215 69 L C 1.385 178.161 176.870 -0.156 0.000 1.084 69 L CA 2.921 57.709 54.840 -0.086 0.000 0.764 69 L CB -0.435 41.559 42.059 -0.108 0.000 0.891 69 L HN -0.194 7.897 8.230 -0.060 0.102 0.435 70 R N -1.607 118.713 120.500 -0.299 0.000 2.154 70 R HA -0.558 3.609 4.340 -0.288 0.000 0.236 70 R C 2.188 178.283 176.300 -0.341 0.000 1.121 70 R CA 3.775 59.627 56.100 -0.414 0.000 0.915 70 R CB -1.038 28.857 30.300 -0.675 0.000 0.856 70 R HN 0.016 8.077 8.270 -0.295 0.031 0.431 71 Y N -3.658 116.633 120.300 -0.015 0.000 2.315 71 Y HA -0.266 4.298 4.550 0.023 0.000 0.288 71 Y C 2.423 178.326 175.900 0.005 0.000 1.154 71 Y CA 2.518 60.623 58.100 0.008 0.000 1.229 71 Y CB -1.259 37.208 38.460 0.011 0.000 0.980 71 Y HN -0.515 6.989 8.280 -1.293 0.000 0.540 72 V N -1.509 118.463 119.914 0.097 0.000 2.358 72 V HA -0.415 3.743 4.120 0.063 0.000 0.246 72 V C 1.559 177.661 176.094 0.013 0.000 1.047 72 V CA 2.829 65.157 62.300 0.047 0.000 1.035 72 V CB -1.095 30.738 31.823 0.017 0.000 0.658 72 V HN -0.677 7.411 8.190 0.057 0.136 0.452 73 A N -0.956 121.857 122.820 -0.011 0.000 2.021 73 A HA -0.061 4.267 4.320 0.014 0.000 0.216 73 A C 1.853 179.499 177.584 0.103 0.000 1.163 73 A CA 2.306 54.351 52.037 0.014 0.000 0.676 73 A CB -0.106 18.866 19.000 -0.047 0.000 0.818 73 A HN 0.201 8.323 8.150 -0.048 0.000 0.453 74 M N -0.170 119.483 119.600 0.088 0.000 2.549 74 M HA -0.240 4.405 4.480 0.276 0.000 0.260 74 M C 0.673 177.099 176.300 0.209 0.000 1.076 74 M CA 2.893 58.301 55.300 0.179 0.000 1.090 74 M CB 0.103 32.775 32.600 0.119 0.000 1.418 74 M HN 0.380 8.582 8.290 0.026 0.103 0.486 75 V N -1.938 118.030 119.914 0.091 0.000 2.392 75 V HA -0.339 3.785 4.120 0.008 0.000 0.249 75 V C 1.333 177.316 176.094 -0.184 0.000 1.059 75 V CA 3.368 65.622 62.300 -0.077 0.000 1.051 75 V CB -1.123 30.586 31.823 -0.190 0.000 0.658 75 V HN -0.612 7.447 8.190 0.068 0.172 0.455 76 I N -1.005 119.561 120.570 -0.006 0.000 2.703 76 I HA -0.224 3.944 4.170 -0.004 0.000 0.259 76 I C 1.480 177.713 176.117 0.193 0.000 1.151 76 I CA 2.924 64.258 61.300 0.057 0.000 1.470 76 I CB 0.439 38.467 38.000 0.046 0.000 1.112 76 I HN -0.699 7.528 8.210 0.051 0.014 0.437 77 W N 1.215 122.574 121.300 0.098 0.000 2.379 77 W HA -0.278 4.442 4.660 0.101 0.000 0.307 77 W C 1.922 178.545 176.519 0.173 0.000 1.200 77 W CA 4.284 61.699 57.345 0.116 0.000 1.297 77 W CB 0.699 30.216 29.460 0.095 0.000 1.140 77 W HN -0.622 7.707 8.180 0.398 0.090 0.507 78 L N -1.301 120.216 121.223 0.490 0.000 2.005 78 L HA -0.472 4.123 4.340 0.425 0.000 0.207 78 L C 1.582 178.727 176.870 0.458 0.000 1.072 78 L CA 3.154 58.262 54.840 0.447 0.000 0.744 78 L CB -0.124 42.186 42.059 0.418 0.000 0.895 78 L HN 0.670 9.061 8.230 0.467 0.119 0.433 79 Y N -3.190 117.239 120.300 0.215 0.000 2.173 79 Y HA -0.504 4.161 4.550 0.192 0.000 0.282 79 Y C 2.416 178.442 175.900 0.209 0.000 1.192 79 Y CA 2.715 60.932 58.100 0.194 0.000 1.176 79 Y CB -0.723 37.835 38.460 0.163 0.000 0.969 79 Y HN -0.544 8.171 8.280 0.725 0.000 0.519 80 S N -2.317 113.589 115.700 0.343 0.000 2.461 80 S HA -0.225 4.435 4.470 0.317 0.000 0.228 80 S C 1.508 176.283 174.600 0.292 0.000 1.005 80 S CA 2.352 60.725 58.200 0.289 0.000 0.942 80 S CB -0.342 62.965 63.200 0.179 0.000 0.776 80 S HN -0.435 8.061 8.310 0.330 0.012 0.514 81 A N 3.158 126.134 122.820 0.261 0.000 1.841 81 A HA -0.301 4.131 4.320 0.188 0.000 0.216 81 A C 2.023 179.726 177.584 0.198 0.000 1.199 81 A CA 3.003 55.181 52.037 0.235 0.000 0.621 81 A CB -0.784 18.386 19.000 0.283 0.000 0.835 81 A HN 0.004 8.149 8.150 0.287 0.178 0.445 82 F N -1.263 118.773 119.950 0.143 0.000 2.098 82 F HA -0.231 4.360 4.527 0.107 0.000 0.294 82 F C 2.052 177.900 175.800 0.080 0.000 1.107 82 F CA 4.086 62.145 58.000 0.098 0.000 1.234 82 F CB 0.359 39.391 39.000 0.053 0.000 1.002 82 F HN -0.586 7.980 8.300 0.443 0.000 0.472 83 R N -0.791 119.879 120.500 0.284 0.000 2.066 83 R HA -0.214 4.220 4.340 0.156 0.000 0.232 83 R C 2.558 178.927 176.300 0.116 0.000 1.131 83 R CA 3.218 59.422 56.100 0.173 0.000 0.955 83 R CB -0.821 29.570 30.300 0.152 0.000 0.851 83 R HN -0.446 8.002 8.270 0.297 0.000 0.432 84 G N -2.918 105.991 108.800 0.182 0.000 2.446 84 G HA2 -0.228 3.741 3.960 0.016 0.000 0.217 84 G HA3 -0.228 4.063 3.960 0.373 -0.108 0.217 84 G C 1.524 176.411 174.900 -0.023 0.000 1.168 84 G CA 2.062 47.240 45.100 0.130 0.000 0.771 84 G HN -0.621 7.694 8.290 0.251 0.126 0.551 85 V N 2.990 122.955 119.914 0.085 0.000 2.453 85 V HA -0.084 3.974 4.120 -0.103 0.000 0.247 85 V C 2.087 178.184 176.094 0.006 0.000 1.048 85 V CA 2.890 65.189 62.300 -0.001 0.000 1.049 85 V CB -0.047 31.807 31.823 0.052 0.000 0.672 85 V HN -0.708 7.586 8.190 0.174 0.000 0.457 86 Q N -0.235 119.583 119.800 0.030 0.000 2.224 86 Q HA -0.170 4.235 4.340 0.109 0.000 0.203 86 Q C 2.649 178.615 176.000 -0.056 0.000 0.970 86 Q CA 2.490 58.322 55.803 0.050 0.000 0.865 86 Q CB -0.345 28.452 28.738 0.099 0.000 0.922 86 Q HN 0.031 8.220 8.270 0.045 0.108 0.445 87 L N -2.606 118.510 121.223 -0.180 0.000 2.253 87 L HA 0.087 4.199 4.340 -0.379 0.000 0.205 87 L C 1.717 178.094 176.870 -0.821 0.000 1.078 87 L CA 2.094 56.671 54.840 -0.438 0.000 0.805 87 L CB -0.431 41.389 42.059 -0.398 0.000 0.963 87 L HN 0.076 8.098 8.230 -0.133 0.128 0.459 88 T N 0.734 114.958 114.554 -0.550 0.000 2.652 88 T HA -0.359 3.715 4.350 -0.460 0.000 0.267 88 T C 2.295 176.742 174.700 -0.421 0.000 1.039 88 T CA 4.286 66.078 62.100 -0.514 0.000 1.153 88 T CB -0.286 68.294 68.868 -0.480 0.000 0.863 88 T HN -0.211 7.797 8.240 -0.386 0.000 0.428 89 Y N 0.947 121.093 120.300 -0.258 0.000 2.102 89 Y HA -0.357 4.113 4.550 -0.134 0.000 0.280 89 Y C 2.639 178.432 175.900 -0.177 0.000 1.178 89 Y CA 3.135 61.130 58.100 -0.175 0.000 1.146 89 Y CB -0.844 37.532 38.460 -0.140 0.000 0.968 89 Y HN -0.609 7.509 8.280 -0.271 0.000 0.504 90 E N -2.255 117.893 120.200 -0.087 0.000 2.097 90 E HA -0.488 3.851 4.350 -0.019 0.000 0.196 90 E C 2.496 179.088 176.600 -0.014 0.000 1.000 90 E CA 3.259 59.604 56.400 -0.092 0.000 0.804 90 E CB -0.514 29.086 29.700 -0.167 0.000 0.740 90 E HN -0.017 8.261 8.360 -0.136 0.000 0.454 91 H N -1.586 117.448 119.070 -0.059 0.000 2.423 91 H HA -0.188 4.334 4.556 -0.058 0.000 0.297 91 H C 2.665 177.963 175.328 -0.051 0.000 1.075 91 H CA 2.211 58.215 56.048 -0.073 0.000 1.342 91 H CB 0.031 29.718 29.762 -0.124 0.000 1.395 91 H HN -0.643 7.210 8.280 -0.549 0.097 0.530 92 T N -1.552 113.033 114.554 0.052 0.000 2.951 92 T HA -0.301 4.056 4.350 0.011 0.000 0.268 92 T C 1.607 176.337 174.700 0.050 0.000 1.073 92 T CA 3.644 65.757 62.100 0.022 0.000 1.134 92 T CB 0.095 68.951 68.868 -0.020 0.000 0.884 92 T HN 0.069 8.188 8.240 -0.002 0.120 0.479 93 M N 1.705 121.344 119.600 0.065 0.000 2.117 93 M HA -0.268 4.255 4.480 0.070 0.000 0.262 93 M C 2.214 178.577 176.300 0.105 0.000 1.065 93 M CA 2.598 57.941 55.300 0.071 0.000 1.114 93 M CB -1.083 31.541 32.600 0.039 0.000 1.361 93 M HN 0.305 8.511 8.290 0.060 0.120 0.408 94 L N 0.430 121.704 121.223 0.086 0.000 2.005 94 L HA -0.338 4.206 4.340 0.100 -0.143 0.207 94 L C 2.222 179.117 176.870 0.041 0.000 1.072 94 L CA 3.207 58.091 54.840 0.073 0.000 0.744 94 L CB -0.138 41.951 42.059 0.050 0.000 0.895 94 L HN -0.561 7.717 8.230 0.080 0.000 0.433 95 Q N -1.454 118.364 119.800 0.029 0.000 2.061 95 Q HA -0.287 4.045 4.340 -0.012 0.000 0.204 95 Q C 2.227 178.231 176.000 0.007 0.000 0.984 95 Q CA 2.845 58.651 55.803 0.004 0.000 0.846 95 Q CB 0.013 28.752 28.738 0.000 0.000 0.902 95 Q HN -0.662 7.632 8.270 0.040 0.000 0.421 96 L N -3.834 117.411 121.223 0.037 0.000 2.291 96 L HA -0.197 4.155 4.340 0.020 0.000 0.214 96 L C 0.134 177.069 176.870 0.108 0.000 1.120 96 L CA 1.593 56.465 54.840 0.053 0.000 0.799 96 L CB 1.031 43.127 42.059 0.062 0.000 0.925 96 L HN -0.383 7.875 8.230 0.046 0.000 0.446 97 Y N -1.785 118.497 120.300 -0.029 0.000 2.535 97 Y HA 0.302 4.831 4.550 -0.035 0.000 0.351 97 Y C -2.133 173.738 175.900 -0.049 0.000 1.050 97 Y CA -3.549 54.530 58.100 -0.035 0.000 1.168 97 Y CB 0.425 38.868 38.460 -0.028 0.000 1.116 97 Y HN -0.274 7.848 8.280 0.145 0.245 0.654 98 P HA 0.017 4.446 4.420 -0.107 -0.073 0.295 98 P C -0.993 176.181 177.300 -0.211 0.000 1.300 98 P CA -0.021 62.974 63.100 -0.175 0.000 0.801 98 P CB 0.678 32.253 31.700 -0.208 0.000 1.420 99 S N -4.112 111.438 115.700 -0.251 0.000 2.680 99 S HA 0.038 4.384 4.470 -0.206 0.000 0.284 99 S C -2.581 171.829 174.600 -0.317 0.000 1.055 99 S CA -1.113 56.959 58.200 -0.214 0.000 0.849 99 S CB -0.646 62.500 63.200 -0.089 0.000 1.068 99 S HN -0.342 7.779 8.310 -0.315 0.000 0.453 100 P HA -0.104 4.203 4.420 -0.188 0.000 0.269 100 P C 0.060 177.203 177.300 -0.262 0.000 1.185 100 P CA 0.146 63.132 63.100 -0.191 0.000 0.769 100 P CB 0.360 32.042 31.700 -0.031 0.000 0.809 101 F N -0.367 119.585 119.950 0.005 0.000 2.778 101 F HA -0.073 4.464 4.527 0.017 0.000 0.295 101 F C 0.191 176.001 175.800 0.016 0.000 1.262 101 F CA 0.027 58.035 58.000 0.013 0.000 1.429 101 F CB -1.954 37.052 39.000 0.010 0.000 1.072 101 F HN 0.311 8.802 8.300 0.317 0.000 0.514 102 A N -0.006 122.875 122.820 0.102 0.000 1.874 102 A HA -0.145 4.231 4.320 0.093 0.000 0.214 102 A C 1.527 179.153 177.584 0.071 0.000 1.189 102 A CA 2.124 54.209 52.037 0.079 0.000 0.615 102 A CB -0.281 18.746 19.000 0.046 0.000 0.830 102 A HN -0.179 7.852 8.150 0.031 0.137 0.443 103 T N -1.395 113.192 114.554 0.054 0.000 2.848 103 T HA -0.291 4.090 4.350 0.053 0.000 0.269 103 T C -0.891 173.863 174.700 0.089 0.000 1.081 103 T CA 1.286 63.422 62.100 0.059 0.000 1.125 103 T CB 0.155 69.049 68.868 0.043 0.000 0.848 103 T HN 0.280 8.538 8.240 0.030 0.000 0.503 104 S N -1.764 114.006 115.700 0.117 0.000 3.223 104 S HA -0.372 4.192 4.470 0.157 0.000 0.856 104 S C -1.350 173.360 174.600 0.183 0.000 1.073 104 S CA 0.923 59.207 58.200 0.140 0.000 1.177 104 S CB 0.295 63.552 63.200 0.095 0.000 0.847 104 S HN -0.826 7.394 8.310 0.125 0.165 0.266 105 D N 2.174 122.716 120.400 0.236 0.000 2.803 105 D HA 0.140 4.966 4.640 0.310 0.000 0.218 105 D C -1.490 175.034 176.300 0.373 0.000 1.245 105 D CA 0.218 54.382 54.000 0.273 0.000 0.821 105 D CB 2.334 43.229 40.800 0.158 0.000 1.626 105 D HN -0.099 8.404 8.370 0.222 0.000 0.487 106 F N 0.006 119.969 119.950 0.023 0.000 4.063 106 F HA 0.109 4.646 4.527 0.017 0.000 0.330 106 F C -1.929 173.872 175.800 0.002 0.000 1.176 106 F CA -1.234 56.773 58.000 0.011 0.000 0.895 106 F CB 0.146 39.147 39.000 0.002 0.000 1.770 106 F HN -0.547 7.846 8.300 0.155 0.000 0.517 107 M N 2.198 121.461 119.600 -0.562 0.000 2.260 107 M HA -0.070 4.253 4.480 -0.261 0.000 0.348 107 M C -0.848 174.889 176.300 -0.938 0.000 1.342 107 M CA 0.055 55.025 55.300 -0.550 0.000 1.040 107 M CB 0.301 32.805 32.600 -0.159 0.000 1.810 107 M HN -0.241 8.199 8.290 0.251 0.000 0.453 108 V N 3.285 122.920 119.914 -0.465 0.000 2.572 108 V HA -0.043 3.814 4.120 -0.438 0.000 0.291 108 V C -0.254 175.563 176.094 -0.462 0.000 1.039 108 V CA 0.159 62.229 62.300 -0.382 0.000 1.055 108 V CB 0.685 32.423 31.823 -0.142 0.000 0.969 108 V HN 0.049 8.075 8.190 -0.274 0.000 0.482 109 R N 7.950 128.172 120.500 -0.463 0.000 2.308 109 R HA 0.133 3.908 4.340 -0.941 0.000 0.325 109 R C -0.560 175.444 176.300 -0.494 0.000 1.161 109 R CA -0.948 54.800 56.100 -0.587 0.000 1.022 109 R CB -1.436 28.682 30.300 -0.303 0.000 1.091 109 R HN -0.065 7.984 8.270 -0.369 0.000 0.497 110 F N 2.754 122.625 119.950 -0.131 0.000 2.545 110 F HA 0.203 4.577 4.527 -0.254 0.000 0.348 110 F C -0.543 175.080 175.800 -0.296 0.000 1.163 110 F CA -3.554 54.308 58.000 -0.231 0.000 1.331 110 F CB -0.991 37.858 39.000 -0.252 0.000 1.138 110 F HN -0.390 6.673 8.300 -2.062 0.000 0.602 111 P HA 0.075 4.043 4.420 -0.753 0.000 0.272 111 P C -1.552 175.433 177.300 -0.525 0.000 1.240 111 P CA -0.683 61.872 63.100 -0.908 0.000 0.791 111 P CB 1.670 32.251 31.700 -1.866 0.000 0.978 112 E N -2.268 117.757 120.200 -0.291 0.000 2.501 112 E HA 0.118 4.482 4.350 0.023 0.000 0.201 112 E C -0.120 176.593 176.600 0.188 0.000 1.016 112 E CA 0.340 56.796 56.400 0.093 0.000 0.920 112 E CB 0.209 30.075 29.700 0.277 0.000 1.023 112 E HN 0.297 8.515 8.360 -0.237 0.000 0.474 113 W N -4.619 116.692 121.300 0.019 0.000 2.555 113 W HA 0.350 5.007 4.660 -0.005 0.000 0.324 113 W C -1.373 175.136 176.519 -0.016 0.000 0.973 113 W CA -0.868 56.478 57.345 0.001 0.000 1.481 113 W CB 0.989 30.453 29.460 0.006 0.000 1.064 113 W HN -0.323 7.289 8.180 -0.832 0.068 0.543 114 L N 2.733 123.593 121.223 -0.605 0.000 2.445 114 L HA 0.499 4.721 4.340 -0.197 0.000 0.252 114 L C -2.193 174.480 176.870 -0.329 0.000 1.105 114 L CA -2.623 51.968 54.840 -0.415 0.000 0.943 114 L CB 0.698 42.435 42.059 -0.537 0.000 1.277 114 L HN -0.536 7.156 8.230 -0.895 0.000 0.465 115 P HA -0.055 4.302 4.420 -0.103 0.000 0.261 115 P C 0.108 177.350 177.300 -0.097 0.000 1.288 115 P CA 1.070 64.097 63.100 -0.121 0.000 0.751 115 P CB -0.997 30.619 31.700 -0.141 0.000 1.103 116 L N -2.264 118.837 121.223 -0.204 0.000 2.179 116 L HA -0.255 4.047 4.340 -0.062 0.000 0.208 116 L C 0.148 176.778 176.870 -0.400 0.000 1.096 116 L CA 2.152 56.878 54.840 -0.190 0.000 0.779 116 L CB 0.193 42.156 42.059 -0.159 0.000 0.922 116 L HN -0.026 7.867 8.230 -0.257 0.182 0.443 117 D N -4.986 114.986 120.400 -0.714 0.000 2.338 117 D HA 0.055 3.862 4.640 -1.387 0.000 0.224 117 D C 0.618 176.612 176.300 -0.510 0.000 0.967 117 D CA 1.582 54.934 54.000 -1.080 0.000 0.896 117 D CB 0.656 40.618 40.800 -1.397 0.000 1.028 117 D HN -0.684 7.312 8.370 -0.592 0.018 0.493 118 K N -0.835 119.315 120.400 -0.416 0.000 2.031 118 K HA -0.205 3.713 4.320 -0.669 0.000 0.205 118 K C 1.480 177.960 176.600 -0.201 0.000 1.049 118 K CA 2.571 58.613 56.287 -0.409 0.000 0.939 118 K CB 0.317 32.631 32.500 -0.310 0.000 0.717 118 K HN -0.830 7.182 8.250 -0.397 0.000 0.438 119 W N -1.618 119.520 121.300 -0.269 0.000 2.800 119 W HA -0.202 4.358 4.660 -0.167 0.000 0.249 119 W C -1.292 175.141 176.519 -0.144 0.000 1.294 119 W CA 1.611 58.849 57.345 -0.179 0.000 1.402 119 W CB 0.754 30.133 29.460 -0.136 0.000 1.126 119 W HN -0.561 7.539 8.180 0.077 0.126 0.652 120 V N -2.882 116.996 119.914 -0.061 0.000 2.546 120 V HA 0.219 4.284 4.120 -0.091 0.000 0.260 120 V C -1.514 174.563 176.094 -0.027 0.000 0.933 120 V CA -3.397 58.875 62.300 -0.046 0.000 0.994 120 V CB 0.682 32.532 31.823 0.045 0.000 1.160 120 V HN -0.688 7.259 8.190 -0.102 0.182 0.523 121 P HA 0.174 4.675 4.420 0.029 -0.063 0.231 121 P C 1.154 178.447 177.300 -0.011 0.000 1.168 121 P CA 1.042 64.112 63.100 -0.049 0.000 0.779 121 P CB 0.661 32.268 31.700 -0.154 0.000 0.844 122 Q N -0.421 119.354 119.800 -0.042 0.000 2.197 122 Q HA -0.163 4.146 4.340 -0.052 0.000 0.207 122 Q C -0.101 175.876 176.000 -0.038 0.000 0.984 122 Q CA 2.460 58.236 55.803 -0.044 0.000 0.869 122 Q CB -0.014 28.695 28.738 -0.050 0.000 0.906 122 Q HN 0.603 8.783 8.270 -0.067 0.050 0.426 123 V N -3.749 116.151 119.914 -0.024 0.000 2.771 123 V HA 0.065 4.118 4.120 -0.112 0.000 0.355 123 V C -1.910 174.095 176.094 -0.148 0.000 1.289 123 V CA -0.106 62.132 62.300 -0.103 0.000 1.231 123 V CB 0.238 31.957 31.823 -0.174 0.000 1.396 123 V HN -0.719 7.459 8.190 0.021 0.025 0.628 124 F N -1.316 118.568 119.950 -0.110 0.000 2.637 124 F HA 0.129 4.590 4.527 -0.111 0.000 0.342 124 F C -1.535 174.230 175.800 -0.059 0.000 0.822 124 F CA 0.833 58.775 58.000 -0.097 0.000 1.046 124 F CB 3.688 42.628 39.000 -0.101 0.000 0.921 124 F HN -0.579 7.686 8.300 0.069 0.076 0.649 125 V N 0.696 120.699 119.914 0.147 0.000 2.557 125 V HA -0.199 4.016 4.120 0.158 0.000 0.301 125 V C -1.087 175.028 176.094 0.034 0.000 1.026 125 V CA 0.484 62.844 62.300 0.099 0.000 1.137 125 V CB 1.127 32.982 31.823 0.053 0.000 0.917 125 V HN -0.706 7.451 8.190 0.120 0.105 0.484 126 A N 9.303 132.137 122.820 0.024 0.000 2.293 126 A HA 0.090 4.393 4.320 -0.028 0.000 0.302 126 A C -1.152 176.425 177.584 -0.012 0.000 1.119 126 A CA -0.561 51.466 52.037 -0.016 0.000 0.823 126 A CB 1.296 20.272 19.000 -0.039 0.000 1.097 126 A HN 0.126 8.303 8.150 0.045 0.000 0.491 127 S N 2.377 118.067 115.700 -0.016 0.000 2.536 127 S HA 0.094 4.566 4.470 0.003 0.000 0.246 127 S C -1.384 173.214 174.600 -0.004 0.000 1.077 127 S CA 0.603 58.799 58.200 -0.006 0.000 1.091 127 S CB 0.716 63.909 63.200 -0.012 0.000 1.148 127 S HN 0.213 8.509 8.310 -0.023 0.000 0.447 128 G N 3.288 112.092 108.800 0.008 0.000 2.316 128 G HA2 -0.202 3.769 3.960 0.018 0.000 0.349 128 G HA3 -0.202 3.763 3.960 0.009 0.000 0.349 128 G C -2.359 172.555 174.900 0.025 0.000 1.274 128 G CA -0.383 44.726 45.100 0.014 0.000 1.018 128 G HN -0.015 8.284 8.290 0.014 0.000 0.486 129 D N -0.697 119.723 120.400 0.034 0.000 2.217 129 D HA 0.276 4.953 4.640 0.061 0.000 0.248 129 D C -0.134 176.186 176.300 0.034 0.000 1.008 129 D CA -0.498 53.534 54.000 0.053 0.000 0.914 129 D CB 1.674 42.525 40.800 0.085 0.000 1.182 129 D HN -0.079 8.308 8.370 0.030 0.000 0.451 130 c N 0.963 119.582 118.600 0.031 0.000 2.350 130 c HA 0.034 4.598 4.570 -0.011 0.000 0.348 130 c C 0.446 174.537 174.090 0.003 0.000 1.260 130 c CA 0.288 56.616 56.329 -0.001 0.000 1.966 130 c CB -0.080 42.413 42.510 -0.028 0.000 2.380 130 c HN 0.379 8.639 8.230 0.049 0.000 0.535 131 A N 1.824 124.638 122.820 -0.010 0.000 3.629 131 A HA -0.173 4.138 4.320 -0.016 0.000 0.224 131 A C -1.049 176.539 177.584 0.005 0.000 1.104 131 A CA 0.546 52.578 52.037 -0.007 0.000 1.660 131 A CB -0.812 18.183 19.000 -0.009 0.000 0.911 131 A HN 0.399 8.538 8.150 -0.018 0.000 0.805 132 E N -0.148 120.061 120.200 0.016 0.000 2.398 132 E HA -0.006 4.359 4.350 0.025 0.000 0.263 132 E C -0.309 176.303 176.600 0.019 0.000 1.046 132 E CA -0.304 56.109 56.400 0.023 0.000 0.908 132 E CB 0.711 30.429 29.700 0.030 0.000 0.963 132 E HN 0.094 8.392 8.360 0.016 0.071 0.431 133 R N 1.711 122.222 120.500 0.017 0.000 2.229 133 R HA 0.160 4.516 4.340 0.026 0.000 0.328 133 R C -0.355 175.966 176.300 0.034 0.000 1.009 133 R CA -0.218 55.893 56.100 0.019 0.000 0.864 133 R CB 0.425 30.723 30.300 -0.003 0.000 1.085 133 R HN 0.348 8.627 8.270 0.015 0.000 0.453 134 Q N 1.728 121.566 119.800 0.064 0.000 2.402 134 Q HA -0.007 4.390 4.340 0.094 0.000 0.231 134 Q C -1.050 175.073 176.000 0.205 0.000 0.888 134 Q CA 0.313 56.179 55.803 0.104 0.000 0.938 134 Q CB 1.013 29.800 28.738 0.082 0.000 1.086 134 Q HN 0.616 8.926 8.270 0.067 0.000 0.543 135 W N -1.273 119.981 121.300 -0.076 0.000 3.499 135 W HA 0.051 4.661 4.660 -0.083 0.000 0.288 135 W C -2.744 173.793 176.519 0.030 0.000 1.258 135 W CA -0.798 56.489 57.345 -0.096 0.000 1.203 135 W CB 2.390 31.671 29.460 -0.299 0.000 1.325 135 W HN -0.630 7.643 8.180 0.154 0.000 0.564 136 D N -0.424 119.852 120.400 -0.208 0.000 2.581 136 D HA 0.546 5.526 4.640 0.445 -0.072 0.232 136 D C -1.976 174.430 176.300 0.176 0.000 1.143 136 D CA -0.952 53.144 54.000 0.160 0.000 0.881 136 D CB 3.197 44.015 40.800 0.030 0.000 1.500 136 D HN -0.143 7.618 8.370 -1.016 0.000 0.458 137 F N -1.036 119.075 119.950 0.270 0.000 2.469 137 F HA 0.293 4.908 4.527 0.148 0.000 0.332 137 F C 0.705 176.686 175.800 0.302 0.000 1.103 137 F CA -0.885 57.237 58.000 0.203 0.000 0.979 137 F CB 2.748 41.706 39.000 -0.070 0.000 1.137 137 F HN 0.635 9.359 8.300 0.863 0.094 0.463 138 L N 2.537 123.910 121.223 0.250 0.000 4.269 138 L HA -0.402 4.017 4.340 0.131 0.000 0.431 138 L C 0.323 177.322 176.870 0.215 0.000 1.139 138 L CA 1.462 56.443 54.840 0.236 0.000 0.982 138 L CB -2.354 39.917 42.059 0.354 0.000 1.915 138 L HN 0.911 9.200 8.230 0.099 0.000 1.015 139 G N -4.533 104.362 108.800 0.160 0.000 2.130 139 G HA2 -0.401 3.563 3.960 0.007 0.000 0.216 139 G HA3 -0.401 3.595 3.960 0.060 0.000 0.216 139 G C -1.100 173.867 174.900 0.111 0.000 0.999 139 G CA -0.196 44.953 45.100 0.081 0.000 0.686 139 G HN 0.149 8.449 8.290 0.139 0.074 0.515 140 L N 0.165 121.542 121.223 0.256 0.000 2.381 140 L HA 0.315 4.652 4.340 -0.004 0.000 0.268 140 L C -1.150 175.858 176.870 0.230 0.000 0.997 140 L CA -1.449 53.470 54.840 0.132 0.000 0.818 140 L CB 2.688 44.665 42.059 -0.137 0.000 1.310 140 L HN -0.017 8.394 8.230 0.423 0.073 0.416 141 E N 2.089 122.333 120.200 0.072 0.000 2.383 141 E HA -0.024 4.430 4.350 0.173 0.000 0.264 141 E C 0.989 177.704 176.600 0.193 0.000 1.050 141 E CA 0.358 56.832 56.400 0.123 0.000 0.896 141 E CB 0.340 30.061 29.700 0.034 0.000 0.982 141 E HN 0.452 8.796 8.360 -0.026 0.000 0.424 142 M N 4.136 123.885 119.600 0.248 0.000 2.110 142 M HA -0.380 4.299 4.480 0.332 0.000 0.257 142 M C -0.932 175.442 176.300 0.124 0.000 1.071 142 M CA 7.187 62.622 55.300 0.225 0.000 1.096 142 M CB -2.073 30.612 32.600 0.142 0.000 1.300 142 M HN -0.183 8.250 8.290 0.237 0.000 0.411 143 P HA -0.335 4.071 4.420 -0.024 0.000 0.218 143 P C 2.072 179.340 177.300 -0.052 0.000 1.152 143 P CA 3.132 66.223 63.100 -0.015 0.000 0.857 143 P CB -0.783 30.900 31.700 -0.028 0.000 0.787 144 Q N -2.521 117.228 119.800 -0.084 0.000 2.020 144 Q HA -0.234 3.992 4.340 -0.190 0.000 0.198 144 Q C 2.590 178.481 176.000 -0.183 0.000 0.974 144 Q CA 2.855 58.537 55.803 -0.203 0.000 0.829 144 Q CB -0.387 28.149 28.738 -0.336 0.000 0.894 144 Q HN -0.356 7.759 8.270 -0.055 0.122 0.433 145 W N -0.648 120.637 121.300 -0.025 0.000 2.332 145 W HA -0.364 4.287 4.660 -0.016 0.000 0.321 145 W C 2.842 179.340 176.519 -0.036 0.000 1.219 145 W CA 2.236 59.561 57.345 -0.033 0.000 1.277 145 W CB -0.059 29.358 29.460 -0.072 0.000 1.161 145 W HN -0.512 7.645 8.180 -0.039 0.000 0.476 146 L N -1.039 120.304 121.223 0.200 0.000 2.103 146 L HA -0.481 3.925 4.340 0.110 0.000 0.215 146 L C 1.520 178.459 176.870 0.115 0.000 1.080 146 L CA 3.429 58.336 54.840 0.111 0.000 0.764 146 L CB -0.410 41.675 42.059 0.043 0.000 0.890 146 L HN 0.446 8.799 8.230 0.205 0.000 0.435 147 L N -2.761 118.482 121.223 0.033 0.000 2.079 147 L HA -0.370 3.966 4.340 -0.006 0.000 0.210 147 L C 1.767 178.697 176.870 0.100 0.000 1.081 147 L CA 2.707 57.545 54.840 -0.003 0.000 0.752 147 L CB -0.811 41.155 42.059 -0.155 0.000 0.896 147 L HN -0.568 7.552 8.230 0.001 0.110 0.433 148 G N -1.372 107.496 108.800 0.113 0.000 2.421 148 G HA2 -0.340 3.687 3.960 0.111 0.000 0.216 148 G HA3 -0.340 3.759 3.960 0.221 -0.006 0.216 148 G C 1.281 176.294 174.900 0.189 0.000 1.171 148 G CA 2.137 47.333 45.100 0.158 0.000 0.775 148 G HN 0.350 8.559 8.290 0.107 0.145 0.543 149 I N 1.704 122.394 120.570 0.200 0.000 2.617 149 I HA -0.334 3.961 4.170 0.208 0.000 0.256 149 I C 1.148 177.385 176.117 0.200 0.000 1.167 149 I CA 2.788 64.203 61.300 0.192 0.000 1.469 149 I CB -0.008 38.068 38.000 0.127 0.000 1.098 149 I HN -0.575 7.679 8.210 0.201 0.077 0.436 150 F N 1.511 121.480 119.950 0.031 0.000 2.134 150 F HA -0.407 4.086 4.527 -0.056 0.000 0.299 150 F C 1.591 177.439 175.800 0.079 0.000 1.097 150 F CA 4.654 62.653 58.000 -0.001 0.000 1.264 150 F CB 0.419 39.389 39.000 -0.050 0.000 1.001 150 F HN 0.160 8.407 8.300 0.302 0.233 0.479 151 I N -1.321 119.377 120.570 0.214 0.000 2.353 151 I HA -0.563 3.688 4.170 0.135 0.000 0.248 151 I C 0.843 177.044 176.117 0.141 0.000 1.119 151 I CA 2.920 64.310 61.300 0.150 0.000 1.417 151 I CB -0.099 37.981 38.000 0.134 0.000 1.078 151 I HN -0.169 8.191 8.210 0.250 0.000 0.421 152 A N 0.401 123.324 122.820 0.172 0.000 1.883 152 A HA -0.370 4.022 4.320 0.120 0.000 0.217 152 A C 2.021 179.723 177.584 0.196 0.000 1.186 152 A CA 3.321 55.459 52.037 0.169 0.000 0.624 152 A CB -1.206 17.910 19.000 0.193 0.000 0.822 152 A HN -0.628 7.557 8.150 0.184 0.075 0.444 153 Y N -2.230 118.111 120.300 0.068 0.000 2.181 153 Y HA -0.335 4.383 4.550 0.281 0.000 0.288 153 Y C 2.948 179.118 175.900 0.450 0.000 1.146 153 Y CA 3.605 61.831 58.100 0.210 0.000 1.164 153 Y CB -0.214 38.245 38.460 -0.002 0.000 0.982 153 Y HN -0.587 7.961 8.280 0.446 0.000 0.515 154 L N -0.915 120.522 121.223 0.357 0.000 2.131 154 L HA -0.421 4.385 4.340 0.777 0.000 0.210 154 L C 2.030 179.092 176.870 0.320 0.000 1.092 154 L CA 3.054 58.142 54.840 0.415 0.000 0.759 154 L CB -0.387 41.757 42.059 0.142 0.000 0.903 154 L HN -0.587 7.650 8.230 0.153 0.086 0.435 155 I N -1.259 119.425 120.570 0.190 0.000 2.617 155 I HA -0.392 3.837 4.170 0.099 0.000 0.256 155 I C 1.793 177.927 176.117 0.029 0.000 1.167 155 I CA 3.886 65.245 61.300 0.099 0.000 1.469 155 I CB -0.199 37.845 38.000 0.074 0.000 1.098 155 I HN -0.068 8.129 8.210 0.184 0.123 0.436 156 V N 0.984 120.901 119.914 0.005 0.000 2.343 156 V HA -0.519 3.520 4.120 -0.134 0.000 0.247 156 V C 1.414 177.360 176.094 -0.247 0.000 1.051 156 V CA 4.401 66.616 62.300 -0.141 0.000 1.036 156 V CB -0.900 30.785 31.823 -0.229 0.000 0.654 156 V HN -0.241 7.898 8.190 0.084 0.102 0.451 157 A N -0.680 121.936 122.820 -0.339 0.000 1.854 157 A HA -0.255 3.689 4.320 -0.626 0.000 0.214 157 A C 2.018 179.463 177.584 -0.233 0.000 1.192 157 A CA 3.390 55.087 52.037 -0.568 0.000 0.611 157 A CB -0.804 17.464 19.000 -1.219 0.000 0.832 157 A HN -0.601 7.462 8.150 -0.145 0.000 0.442 158 V N -0.725 119.145 119.914 -0.073 0.000 2.380 158 V HA -0.499 3.637 4.120 0.028 0.000 0.251 158 V C 2.129 178.211 176.094 -0.021 0.000 1.063 158 V CA 4.252 66.556 62.300 0.006 0.000 1.055 158 V CB -0.136 31.729 31.823 0.069 0.000 0.657 158 V HN -0.711 7.470 8.190 -0.016 0.000 0.455 159 L N -0.972 120.222 121.223 -0.048 0.000 2.162 159 L HA -0.160 4.170 4.340 -0.017 0.000 0.205 159 L C 1.356 178.174 176.870 -0.086 0.000 1.086 159 L CA 3.086 57.898 54.840 -0.048 0.000 0.778 159 L CB 0.331 42.362 42.059 -0.047 0.000 0.928 159 L HN -0.496 7.687 8.230 -0.059 0.011 0.446 160 V N -1.339 118.492 119.914 -0.138 0.000 2.809 160 V HA -0.402 3.636 4.120 -0.136 0.000 0.256 160 V C 0.615 176.623 176.094 -0.144 0.000 1.080 160 V CA 3.584 65.791 62.300 -0.156 0.000 1.102 160 V CB -0.005 31.690 31.823 -0.214 0.000 0.705 160 V HN -0.155 7.755 8.190 -0.164 0.181 0.475 161 V N -2.045 117.785 119.914 -0.139 0.000 2.379 161 V HA -0.378 3.630 4.120 -0.187 0.000 0.243 161 V C 1.892 177.918 176.094 -0.114 0.000 1.035 161 V CA 3.270 65.487 62.300 -0.138 0.000 1.035 161 V CB 0.384 32.151 31.823 -0.094 0.000 0.673 161 V HN -0.144 7.932 8.190 -0.131 0.036 0.457 162 I N -0.306 120.224 120.570 -0.066 0.000 2.916 162 I HA -0.313 3.814 4.170 -0.072 0.000 0.267 162 I C 1.156 177.195 176.117 -0.131 0.000 1.263 162 I CA 2.350 63.616 61.300 -0.058 0.000 1.471 162 I CB -0.429 37.594 38.000 0.038 0.000 1.089 162 I HN -0.479 7.703 8.210 -0.046 0.000 0.468 163 S N -0.969 114.660 115.700 -0.119 0.000 2.488 163 S HA -0.283 4.146 4.470 -0.069 0.000 0.246 163 S C -0.654 173.830 174.600 -0.193 0.000 0.992 163 S CA 1.526 59.656 58.200 -0.116 0.000 0.963 163 S CB -0.497 62.641 63.200 -0.103 0.000 0.754 163 S HN -0.465 7.621 8.310 -0.107 0.160 0.519 164 Q N 2.288 121.901 119.800 -0.311 0.000 2.586 164 Q HA -0.194 3.981 4.340 -0.274 0.000 0.312 164 Q C -1.057 174.642 176.000 -0.502 0.000 1.165 164 Q CA -0.481 55.066 55.803 -0.427 0.000 1.065 164 Q CB 0.053 28.444 28.738 -0.579 0.000 1.054 164 Q HN -0.919 7.100 8.270 -0.281 0.083 0.408 165 P HA -0.187 4.247 4.420 0.025 0.000 0.231 165 P C -0.629 176.730 177.300 0.098 0.000 1.154 165 P CA 0.617 63.694 63.100 -0.038 0.000 0.762 165 P CB -0.265 31.421 31.700 -0.023 0.000 0.790 166 F N -7.408 112.549 119.950 0.013 0.000 2.460 166 F HA -0.643 3.901 4.527 0.027 0.000 0.688 166 F C 0.257 176.065 175.800 0.014 0.000 0.682 166 F CA 3.157 61.167 58.000 0.018 0.000 1.045 166 F CB -1.427 37.582 39.000 0.015 0.000 1.488 166 F HN -0.178 7.667 8.300 -0.485 0.164 0.263 167 K N -4.295 116.260 120.400 0.258 0.000 2.504 167 K HA 0.043 4.421 4.320 0.096 0.000 0.189 167 K C -0.327 176.329 176.600 0.093 0.000 1.803 167 K CA 0.103 56.468 56.287 0.129 0.000 1.040 167 K CB 1.276 33.841 32.500 0.109 0.000 1.587 167 K HN -0.112 8.338 8.250 0.333 0.000 0.584 168 A N 2.513 125.398 122.820 0.108 0.000 3.091 168 A HA 0.100 4.447 4.320 0.044 0.000 0.264 168 A C -0.176 177.443 177.584 0.058 0.000 1.673 168 A CA -0.185 51.890 52.037 0.062 0.000 1.362 168 A CB -1.608 17.416 19.000 0.040 0.000 1.137 168 A HN -0.083 8.167 8.150 0.166 0.000 0.617 169 K N 1.520 121.949 120.400 0.048 0.000 3.029 169 K HA -0.063 4.277 4.320 0.033 0.000 0.347 169 K C 0.610 177.225 176.600 0.026 0.000 0.994 169 K CA 0.064 56.371 56.287 0.032 0.000 1.278 169 K CB 0.170 32.683 32.500 0.022 0.000 1.270 169 K HN -0.409 7.810 8.250 0.047 0.059 0.550 170 K N -2.761 117.651 120.400 0.020 0.000 2.612 170 K HA 0.062 4.400 4.320 0.030 0.000 0.199 170 K C -0.044 176.573 176.600 0.029 0.000 1.520 170 K CA -0.163 56.139 56.287 0.026 0.000 1.039 170 K CB 1.784 34.299 32.500 0.024 0.000 1.286 170 K HN -0.102 8.157 8.250 0.015 0.000 0.622 171 R N -0.170 120.341 120.500 0.019 0.000 1.200 171 R HA -0.410 3.937 4.340 0.011 0.000 0.019 171 R C -1.212 175.096 176.300 0.014 0.000 0.961 171 R CA 2.087 58.198 56.100 0.018 0.000 1.980 171 R CB -0.746 29.571 30.300 0.027 0.000 0.141 171 R HN 0.217 8.496 8.270 0.015 0.000 0.730 172 D N -2.700 117.717 120.400 0.027 0.000 2.639 172 D HA 0.150 4.797 4.640 0.011 0.000 0.271 172 D C -1.499 174.830 176.300 0.048 0.000 1.254 172 D CA -0.671 53.344 54.000 0.024 0.000 0.810 172 D CB 2.403 43.212 40.800 0.015 0.000 1.351 172 D HN -0.176 8.167 8.370 0.041 0.052 0.427 173 L N 0.252 121.501 121.223 0.043 0.000 2.453 173 L HA 0.118 4.515 4.340 0.095 0.000 0.261 173 L C -0.459 176.474 176.870 0.105 0.000 1.179 173 L CA 0.217 55.103 54.840 0.076 0.000 0.813 173 L CB 0.308 42.400 42.059 0.055 0.000 1.110 173 L HN 0.044 8.289 8.230 0.025 0.000 0.466 174 F N 0.452 120.403 119.950 0.001 0.000 2.412 174 F HA 0.040 4.572 4.527 0.009 0.000 0.348 174 F C 0.618 176.415 175.800 -0.005 0.000 1.102 174 F CA 0.132 58.132 58.000 0.001 0.000 1.196 174 F CB 0.875 39.872 39.000 -0.005 0.000 1.144 174 F HN -0.104 8.355 8.300 0.265 0.000 0.541 175 G N 6.763 115.140 108.800 -0.705 0.000 2.502 175 G HA2 -0.295 3.370 3.960 -0.492 0.000 0.273 175 G HA3 -0.295 3.503 3.960 -0.269 0.000 0.273 175 G C -0.859 173.941 174.900 -0.167 0.000 1.021 175 G CA -0.061 44.794 45.100 -0.408 0.000 1.333 175 G HN 0.249 7.788 8.290 -1.251 0.000 0.508 176 R N 1.247 121.664 120.500 -0.137 0.000 2.005 176 R HA 0.020 4.332 4.340 -0.046 0.000 0.213 176 R C 1.606 177.890 176.300 -0.026 0.000 1.308 176 R CA 0.689 56.754 56.100 -0.059 0.000 1.022 176 R CB 0.092 30.365 30.300 -0.045 0.000 0.883 176 R HN -0.067 8.093 8.270 -0.182 0.000 0.470 177 G N -2.646 106.155 108.800 0.002 0.000 2.570 177 G HA2 -0.078 3.894 3.960 0.019 0.000 0.209 177 G HA3 -0.078 3.913 3.960 0.051 0.000 0.209 177 G C -0.526 174.440 174.900 0.110 0.000 1.168 177 G CA -0.087 45.038 45.100 0.042 0.000 0.831 177 G HN -0.117 8.167 8.290 -0.009 0.000 0.564 178 H N -1.067 117.977 119.070 -0.044 0.000 1.452 178 H HA -0.267 4.260 4.556 -0.048 0.000 0.090 178 H C -0.341 174.995 175.328 0.013 0.000 1.168 178 H CA 0.398 56.430 56.048 -0.027 0.000 1.901 178 H CB -0.613 29.131 29.762 -0.029 0.000 2.257 178 H HN -0.455 7.861 8.280 0.061 0.000 0.961 179 H N 4.209 123.153 119.070 -0.210 0.000 3.067 179 H HA 0.164 4.549 4.556 -0.284 0.000 0.265 179 H C -0.763 174.518 175.328 -0.078 0.000 1.234 179 H CA 0.702 56.626 56.048 -0.207 0.000 1.452 179 H CB -1.011 28.656 29.762 -0.158 0.000 1.527 179 H HN 0.017 8.416 8.280 0.199 0.000 0.486 180 H N 8.478 127.358 119.070 -0.316 0.000 3.139 180 H HA -0.004 4.449 4.556 -0.172 0.000 0.322 180 H C -1.487 173.690 175.328 -0.251 0.000 1.345 180 H CA -0.590 55.331 56.048 -0.211 0.000 1.637 180 H CB 0.890 30.624 29.762 -0.046 0.000 1.959 180 H HN 0.277 8.359 8.280 -0.330 0.000 0.586 181 H N 4.236 123.075 119.070 -0.386 0.000 2.540 181 H HA -0.027 4.337 4.556 -0.320 0.000 0.383 181 H C 0.265 175.382 175.328 -0.353 0.000 1.859 181 H CA 0.224 56.045 56.048 -0.378 0.000 1.451 181 H CB 0.951 30.486 29.762 -0.379 0.000 1.584 181 H HN 0.119 7.774 8.280 -1.042 0.000 0.575 182 H N -1.936 116.991 119.070 -0.238 0.000 2.861 182 H HA -0.254 4.158 4.556 -0.240 0.000 0.319 182 H C -0.705 174.563 175.328 -0.100 0.000 0.994 182 H CA -0.334 55.586 56.048 -0.214 0.000 1.032 182 H CB -0.600 29.077 29.762 -0.143 0.000 1.615 182 H HN 0.192 8.527 8.280 0.092 0.000 0.357 183 H N 0.000 119.118 119.070 0.080 0.000 2.539 183 H HA 0.000 4.606 4.556 0.084 0.000 0.296 183 H CA 0.000 56.084 56.048 0.060 0.000 1.023 183 H CB 0.000 29.786 29.762 0.040 0.000 1.292 183 H HN 0.000 7.801 8.280 -0.798 0.000 0.496