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 2k5u_1_A DATA FIRST_RESID 2 DATA SEQUENCE GLFASKLFSN LFGNKEMRIL MVGLDGAGKT TVLYKLKLGE VITTIPTIGF DATA SEQUENCE NVETVQYKNI SFTVWDVGGQ DRIRSLWRHY YRNTEGVIFV VDSNDRSRIG DATA SEQUENCE EAREVMQRML NEDELRNAAW LVFANKQDLP EAMSAAEITE KLGLHSIRNR DATA SEQUENCE PWFIQATCAT SGEGLYEGLE WLSNSLKNST 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.919 3.960 -0.069 0.000 0.244 2 G C 0.000 174.901 174.900 0.002 0.000 0.946 2 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 3 L N -0.396 120.854 121.223 0.045 0.000 2.546 3 L HA 0.334 4.709 4.340 0.059 0.000 0.185 3 L C -0.221 176.751 176.870 0.170 0.000 1.247 3 L CA 0.108 54.993 54.840 0.076 0.000 0.848 3 L CB 0.374 42.465 42.059 0.052 0.000 1.133 3 L HN -0.418 7.839 8.230 0.045 0.000 0.504 4 F N -0.763 119.166 119.950 -0.036 0.000 2.197 4 F HA -0.326 4.180 4.527 -0.034 0.000 0.364 4 F C -1.263 174.522 175.800 -0.026 0.000 1.124 4 F CA 0.049 58.028 58.000 -0.036 0.000 1.235 4 F CB -0.394 38.576 39.000 -0.049 0.000 1.829 4 F HN -0.370 8.027 8.300 0.161 0.000 0.763 5 A N 4.155 126.836 122.820 -0.232 0.000 2.832 5 A HA -0.361 3.854 4.320 -0.175 0.000 0.280 5 A C -0.099 177.458 177.584 -0.046 0.000 1.464 5 A CA 0.742 52.676 52.037 -0.171 0.000 0.804 5 A CB -0.978 17.892 19.000 -0.217 0.000 1.020 5 A HN 0.566 8.550 8.150 -0.278 0.000 0.563 6 S N -3.628 112.068 115.700 -0.007 0.000 4.157 6 S HA -0.625 3.870 4.470 0.041 0.000 0.521 6 S C 1.014 175.639 174.600 0.041 0.000 1.858 6 S CA 2.528 60.745 58.200 0.027 0.000 4.242 6 S CB -0.455 62.758 63.200 0.020 0.000 0.300 6 S HN 0.127 8.409 8.310 -0.012 0.021 0.454 7 K N -0.955 119.462 120.400 0.028 0.000 11.088 7 K HA -0.401 3.928 4.320 0.014 0.000 0.518 7 K C -1.234 175.374 176.600 0.012 0.000 0.411 7 K CA 2.285 58.584 56.287 0.021 0.000 1.873 7 K CB -0.405 32.114 32.500 0.032 0.000 0.794 7 K HN 0.094 8.335 8.250 0.017 0.019 1.246 8 L N -4.469 116.748 121.223 -0.009 0.000 2.482 8 L HA 0.412 4.745 4.340 -0.012 0.000 0.263 8 L C -1.164 175.650 176.870 -0.094 0.000 0.957 8 L CA -0.953 53.835 54.840 -0.087 0.000 0.836 8 L CB 2.019 43.955 42.059 -0.205 0.000 1.324 8 L HN -0.259 7.949 8.230 0.001 0.022 0.406 9 F N -0.293 119.669 119.950 0.020 0.000 2.571 9 F HA 0.132 4.670 4.527 0.019 0.000 0.390 9 F C -0.364 175.451 175.800 0.025 0.000 1.043 9 F CA 0.153 58.167 58.000 0.023 0.000 1.164 9 F CB -0.250 38.766 39.000 0.027 0.000 1.049 9 F HN 0.125 8.524 8.300 0.166 0.000 0.552 10 S N 4.132 119.870 115.700 0.063 0.000 2.681 10 S HA 0.091 4.518 4.470 -0.072 0.000 0.270 10 S C 0.073 174.741 174.600 0.113 0.000 1.209 10 S CA -0.378 57.829 58.200 0.012 0.000 0.988 10 S CB 0.853 64.043 63.200 -0.016 0.000 1.006 10 S HN 0.104 8.472 8.310 0.096 0.000 0.558 11 N N -0.651 118.102 118.700 0.089 0.000 2.143 11 N HA 0.061 4.944 4.740 0.237 0.000 0.222 11 N C -1.889 173.715 175.510 0.156 0.000 1.264 11 N CA 0.088 53.237 53.050 0.166 0.000 0.897 11 N CB 0.867 39.450 38.487 0.159 0.000 1.092 11 N HN 0.184 8.586 8.380 0.037 0.000 0.516 12 L N 1.018 122.271 121.223 0.049 0.000 2.597 12 L HA -0.212 4.167 4.340 0.065 0.000 0.271 12 L C -0.596 176.263 176.870 -0.020 0.000 1.157 12 L CA 0.981 55.836 54.840 0.025 0.000 0.928 12 L CB -0.834 41.208 42.059 -0.029 0.000 1.216 12 L HN -0.262 7.977 8.230 0.015 0.000 0.481 13 F N 3.819 123.776 119.950 0.011 0.000 2.767 13 F HA 0.206 4.742 4.527 0.016 0.000 0.323 13 F C 0.828 176.634 175.800 0.009 0.000 1.091 13 F CA -0.218 57.790 58.000 0.013 0.000 1.192 13 F CB 1.442 40.451 39.000 0.015 0.000 1.056 13 F HN -0.121 8.314 8.300 0.224 0.000 0.571 14 G N 0.020 108.911 108.800 0.152 0.000 2.544 14 G HA2 -0.129 3.898 3.960 0.112 0.000 0.242 14 G HA3 -0.129 3.872 3.960 0.068 0.000 0.242 14 G C -0.852 174.087 174.900 0.064 0.000 1.247 14 G CA 0.452 45.610 45.100 0.097 0.000 0.840 14 G HN -0.252 8.114 8.290 0.126 0.000 0.578 15 N N 0.995 119.731 118.700 0.059 0.000 2.381 15 N HA -0.039 4.720 4.740 0.032 0.000 0.248 15 N C -0.436 175.097 175.510 0.038 0.000 1.430 15 N CA 0.661 53.736 53.050 0.043 0.000 0.993 15 N CB 0.875 39.390 38.487 0.046 0.000 1.352 15 N HN -0.024 8.393 8.380 0.062 0.000 0.520 16 K N 2.519 122.941 120.400 0.036 0.000 3.006 16 K HA -0.103 4.234 4.320 0.028 0.000 0.265 16 K C -0.951 175.662 176.600 0.023 0.000 1.279 16 K CA -0.486 55.818 56.287 0.029 0.000 1.229 16 K CB -1.135 31.382 32.500 0.027 0.000 1.555 16 K HN 0.008 8.281 8.250 0.038 0.000 0.300 17 E N -1.593 118.620 120.200 0.022 0.000 7.284 17 E HA -0.341 4.020 4.350 0.018 0.000 0.335 17 E C -1.896 174.713 176.600 0.016 0.000 0.856 17 E CA 1.443 57.853 56.400 0.017 0.000 1.267 17 E CB -0.346 29.361 29.700 0.011 0.000 0.931 17 E HN -0.040 8.247 8.360 0.025 0.087 0.275 18 M N -0.155 119.456 119.600 0.018 0.000 2.271 18 M HA 0.396 4.881 4.480 0.009 0.000 0.285 18 M C -2.488 173.822 176.300 0.016 0.000 1.059 18 M CA -1.078 54.232 55.300 0.017 0.000 0.940 18 M CB 3.235 35.850 32.600 0.026 0.000 1.636 18 M HN -0.089 8.213 8.290 0.021 0.000 0.460 19 R N 5.131 125.626 120.500 -0.008 0.000 2.625 19 R HA 0.448 4.990 4.340 0.008 -0.197 0.286 19 R C -1.598 174.645 176.300 -0.095 0.000 1.406 19 R CA -0.623 55.459 56.100 -0.030 0.000 1.052 19 R CB 2.044 32.320 30.300 -0.040 0.000 1.203 19 R HN 0.319 8.552 8.270 -0.020 0.025 0.502 20 I N 5.664 126.196 120.570 -0.065 0.000 2.396 20 I HA 0.218 4.401 4.170 -0.150 -0.102 0.289 20 I C -0.898 174.831 176.117 -0.646 0.000 1.056 20 I CA -2.287 58.918 61.300 -0.158 0.000 1.365 20 I CB -1.242 36.821 38.000 0.104 0.000 1.407 20 I HN 0.048 8.284 8.210 0.043 0.000 0.509 21 L N 2.456 123.330 121.223 -0.581 0.000 2.341 21 L HA 0.900 4.582 4.340 -1.317 -0.132 0.267 21 L C -1.482 175.127 176.870 -0.436 0.000 1.009 21 L CA -2.402 51.995 54.840 -0.738 0.000 0.819 21 L CB 4.613 46.424 42.059 -0.413 0.000 1.323 21 L HN 0.840 8.758 8.230 -0.357 0.098 0.425 22 M N 1.779 121.170 119.600 -0.350 0.000 2.063 22 M HA 0.374 4.985 4.480 -0.027 -0.147 0.348 22 M C -0.910 175.460 176.300 0.117 0.000 1.180 22 M CA -1.391 53.881 55.300 -0.046 0.000 1.059 22 M CB -0.522 32.103 32.600 0.042 0.000 1.544 22 M HN 0.217 8.194 8.290 -0.522 0.000 0.447 23 V N -1.772 118.172 119.914 0.050 0.000 2.680 23 V HA 0.792 4.968 4.120 0.094 0.000 0.309 23 V C -1.133 174.728 176.094 -0.388 0.000 1.052 23 V CA -3.451 58.863 62.300 0.023 0.000 0.908 23 V CB 2.464 34.385 31.823 0.163 0.000 1.001 23 V HN -0.039 8.163 8.190 0.019 0.000 0.431 24 G N 1.760 110.327 108.800 -0.388 0.000 2.352 24 G HA2 -0.086 3.254 3.960 -1.033 0.000 0.283 24 G HA3 -0.086 3.186 3.960 -1.148 0.000 0.283 24 G C -2.587 172.197 174.900 -0.194 0.000 1.308 24 G CA 0.040 44.674 45.100 -0.776 0.000 0.892 24 G HN -0.242 7.974 8.290 -0.124 0.000 0.504 25 L N -0.699 120.468 121.223 -0.094 0.000 2.436 25 L HA 0.259 4.786 4.340 0.038 -0.164 0.265 25 L C 0.368 177.235 176.870 -0.005 0.000 1.168 25 L CA 0.200 55.050 54.840 0.017 0.000 0.815 25 L CB 1.441 43.546 42.059 0.077 0.000 1.109 25 L HN 0.185 8.336 8.230 -0.132 0.000 0.462 26 D N 2.472 122.877 120.400 0.009 0.000 2.399 26 D HA -0.109 4.536 4.640 0.008 0.000 0.241 26 D C 0.927 177.234 176.300 0.012 0.000 1.133 26 D CA 1.863 55.867 54.000 0.006 0.000 0.890 26 D CB 1.088 41.886 40.800 -0.003 0.000 1.201 26 D HN 0.477 8.856 8.370 0.015 0.000 0.432 27 G N 2.565 111.373 108.800 0.014 0.000 2.184 27 G HA2 -0.376 3.595 3.960 0.019 0.000 0.264 27 G HA3 -0.376 3.594 3.960 0.017 0.000 0.264 27 G C -0.342 174.571 174.900 0.022 0.000 0.975 27 G CA 0.583 45.694 45.100 0.018 0.000 0.642 27 G HN 0.464 8.762 8.290 0.014 0.000 0.536 28 A N 0.194 123.024 122.820 0.018 0.000 2.024 28 A HA -0.221 4.245 4.320 0.036 -0.124 0.220 28 A C -0.874 176.727 177.584 0.028 0.000 1.164 28 A CA 2.110 54.161 52.037 0.023 0.000 0.643 28 A CB 0.433 19.431 19.000 -0.003 0.000 0.806 28 A HN -0.754 7.324 8.150 0.010 0.078 0.451 29 G N -5.598 103.216 108.800 0.024 0.000 2.192 29 G HA2 -0.274 3.702 3.960 0.027 0.000 0.152 29 G HA3 -0.274 3.700 3.960 0.024 0.000 0.152 29 G C 0.115 175.031 174.900 0.026 0.000 1.057 29 G CA -0.233 44.883 45.100 0.026 0.000 0.748 29 G HN -0.034 8.242 8.290 0.022 0.027 0.488 30 K N 0.351 120.771 120.400 0.033 0.000 2.155 30 K HA -0.137 4.212 4.320 0.047 0.000 0.203 30 K C 0.997 177.625 176.600 0.048 0.000 1.052 30 K CA 1.857 58.171 56.287 0.046 0.000 0.948 30 K CB -0.828 31.706 32.500 0.057 0.000 0.728 30 K HN 0.087 8.356 8.250 0.031 0.000 0.448 31 T N 1.623 116.211 114.554 0.058 0.000 2.708 31 T HA -0.285 4.106 4.350 0.068 0.000 0.266 31 T C 1.837 176.635 174.700 0.163 0.000 1.037 31 T CA 5.353 67.511 62.100 0.096 0.000 1.146 31 T CB -0.885 68.045 68.868 0.104 0.000 0.865 31 T HN 0.058 8.310 8.240 0.051 0.019 0.435 32 T N 2.169 116.786 114.554 0.105 0.000 2.777 32 T HA -0.202 4.228 4.350 0.133 0.000 0.266 32 T C 1.668 176.403 174.700 0.058 0.000 1.040 32 T CA 3.285 65.438 62.100 0.088 0.000 1.141 32 T CB -0.204 68.677 68.868 0.022 0.000 0.868 32 T HN -0.196 8.085 8.240 0.069 0.000 0.444 33 V N 1.151 121.069 119.914 0.007 0.000 2.427 33 V HA -0.469 3.595 4.120 -0.092 0.000 0.248 33 V C 1.360 177.412 176.094 -0.070 0.000 1.051 33 V CA 4.374 66.642 62.300 -0.054 0.000 1.048 33 V CB -0.400 31.387 31.823 -0.061 0.000 0.666 33 V HN -0.574 7.625 8.190 0.015 0.000 0.456 34 L N 0.702 121.902 121.223 -0.039 0.000 1.990 34 L HA -0.444 3.794 4.340 -0.170 0.000 0.213 34 L C 1.676 178.446 176.870 -0.167 0.000 1.072 34 L CA 3.495 58.259 54.840 -0.127 0.000 0.755 34 L CB -0.056 41.923 42.059 -0.133 0.000 0.889 34 L HN 0.234 8.357 8.230 0.007 0.112 0.432 35 Y N -3.346 116.904 120.300 -0.084 0.000 2.207 35 Y HA -0.532 3.978 4.550 -0.065 0.000 0.287 35 Y C 2.238 178.080 175.900 -0.096 0.000 1.156 35 Y CA 3.465 61.520 58.100 -0.074 0.000 1.182 35 Y CB -0.399 38.029 38.460 -0.053 0.000 0.979 35 Y HN -0.763 7.590 8.280 0.122 0.000 0.521 36 K N -2.408 118.006 120.400 0.024 0.000 2.057 36 K HA -0.330 3.970 4.320 -0.035 0.000 0.207 36 K C 1.844 178.366 176.600 -0.129 0.000 1.049 36 K CA 2.309 58.555 56.287 -0.070 0.000 0.931 36 K CB -0.427 31.987 32.500 -0.143 0.000 0.714 36 K HN -0.778 7.382 8.250 0.031 0.109 0.440 37 L N -3.422 117.684 121.223 -0.196 0.000 2.456 37 L HA -0.201 3.975 4.340 -0.272 0.000 0.224 37 L C 0.314 177.106 176.870 -0.129 0.000 1.148 37 L CA 1.252 55.934 54.840 -0.263 0.000 0.825 37 L CB 0.445 42.196 42.059 -0.513 0.000 0.937 37 L HN -0.361 7.649 8.230 -0.202 0.098 0.450 38 K N -3.123 117.230 120.400 -0.078 0.000 3.300 38 K HA -0.333 4.063 4.320 0.014 -0.067 0.378 38 K C -0.558 176.028 176.600 -0.023 0.000 0.579 38 K CA 1.288 57.575 56.287 -0.001 0.000 1.666 38 K CB -1.051 31.479 32.500 0.049 0.000 1.092 38 K HN -0.321 7.679 8.250 -0.084 0.199 0.451 39 L N -2.204 118.985 121.223 -0.056 0.000 2.719 39 L HA -0.274 3.933 4.340 -0.221 0.000 0.708 39 L C -0.291 176.424 176.870 -0.257 0.000 1.102 39 L CA -0.167 54.570 54.840 -0.172 0.000 1.378 39 L CB -0.285 41.657 42.059 -0.196 0.000 2.051 39 L HN -0.439 7.654 8.230 -0.029 0.120 0.945 40 G N 0.531 108.911 108.800 -0.700 0.000 2.957 40 G HA2 -0.361 2.945 3.960 -1.090 0.000 0.207 40 G HA3 -0.361 2.476 3.960 -2.104 -0.139 0.207 40 G C -0.659 173.932 174.900 -0.514 0.000 1.389 40 G CA 0.800 45.148 45.100 -1.254 0.000 0.796 40 G HN 0.125 8.006 8.290 -0.682 0.000 0.704 41 E N 1.921 121.865 120.200 -0.426 0.000 2.046 41 E HA 0.047 4.284 4.350 -0.187 0.000 0.279 41 E C -0.960 175.532 176.600 -0.180 0.000 0.989 41 E CA -0.880 55.382 56.400 -0.230 0.000 0.798 41 E CB 0.434 30.027 29.700 -0.178 0.000 1.086 41 E HN -0.140 8.006 8.360 -0.508 -0.092 0.399 42 V N 6.968 126.797 119.914 -0.141 0.000 2.400 42 V HA -0.204 3.836 4.120 -0.133 0.000 0.263 42 V C -1.122 174.917 176.094 -0.092 0.000 1.026 42 V CA 1.098 63.328 62.300 -0.116 0.000 1.077 42 V CB -1.205 30.562 31.823 -0.093 0.000 1.054 42 V HN 0.378 8.491 8.190 -0.129 0.000 0.477 43 I N 8.625 129.137 120.570 -0.097 0.000 2.509 43 I HA 0.279 4.414 4.170 -0.059 0.000 0.293 43 I C -1.302 174.774 176.117 -0.069 0.000 1.020 43 I CA -1.843 59.411 61.300 -0.077 0.000 1.088 43 I CB 2.199 40.149 38.000 -0.083 0.000 1.267 43 I HN -0.099 8.042 8.210 -0.115 0.000 0.430 44 T N 8.326 122.854 114.554 -0.043 0.000 2.847 44 T HA 0.468 4.799 4.350 -0.033 0.000 0.291 44 T C -1.006 173.691 174.700 -0.005 0.000 0.998 44 T CA -0.610 61.474 62.100 -0.025 0.000 0.967 44 T CB 1.586 70.444 68.868 -0.017 0.000 0.954 44 T HN 0.269 8.488 8.240 -0.035 0.000 0.441 45 T N 7.211 121.769 114.554 0.006 0.000 2.887 45 T HA 0.334 4.704 4.350 0.033 0.000 0.292 45 T C -2.218 172.524 174.700 0.071 0.000 1.087 45 T CA -1.989 60.130 62.100 0.033 0.000 1.009 45 T CB 1.322 70.209 68.868 0.031 0.000 1.203 45 T HN 0.193 8.431 8.240 -0.003 0.000 0.518 46 I N 2.135 122.757 120.570 0.086 0.000 2.468 46 I HA 0.605 5.028 4.170 0.164 -0.155 0.285 46 I C -0.893 175.297 176.117 0.121 0.000 1.039 46 I CA -4.011 57.363 61.300 0.123 0.000 1.074 46 I CB 1.032 39.096 38.000 0.107 0.000 1.228 46 I HN 0.095 8.349 8.210 0.072 0.000 0.436 47 P HA -0.012 4.474 4.420 0.109 0.000 0.216 47 P C -0.448 176.905 177.300 0.088 0.000 1.153 47 P CA 0.731 63.894 63.100 0.105 0.000 0.844 47 P CB 1.105 32.841 31.700 0.060 0.000 0.787 48 T N -5.168 109.455 114.554 0.115 0.000 2.770 48 T HA -0.003 4.396 4.350 0.082 0.000 0.323 48 T C -1.247 173.534 174.700 0.134 0.000 1.683 48 T CA -1.124 61.037 62.100 0.102 0.000 1.024 48 T CB 2.336 71.250 68.868 0.076 0.000 1.557 48 T HN -0.705 7.634 8.240 0.165 0.000 0.494 49 I N 1.168 121.795 120.570 0.095 0.000 4.902 49 I HA -0.359 3.848 4.170 0.062 0.000 0.038 49 I C -0.139 176.031 176.117 0.090 0.000 0.635 49 I CA 2.207 63.557 61.300 0.084 0.000 0.233 49 I CB -1.462 36.588 38.000 0.083 0.000 0.333 49 I HN 0.451 8.706 8.210 0.075 0.000 0.151 50 G N -1.047 107.810 108.800 0.096 0.000 4.943 50 G HA2 0.177 4.175 3.960 0.062 0.000 0.315 50 G HA3 0.177 4.146 3.960 0.015 0.000 0.315 50 G C -2.335 172.595 174.900 0.050 0.000 1.437 50 G CA -0.320 44.815 45.100 0.058 0.000 1.027 50 G HN -0.162 8.191 8.290 0.106 0.000 0.567 51 F N 1.517 121.485 119.950 0.029 0.000 2.444 51 F HA 0.288 4.833 4.527 0.030 0.000 0.342 51 F C -2.073 173.760 175.800 0.055 0.000 1.121 51 F CA -0.899 57.125 58.000 0.041 0.000 0.997 51 F CB 3.671 42.701 39.000 0.050 0.000 1.130 51 F HN -0.653 7.804 8.300 0.263 0.000 0.454 52 N N 5.835 124.656 118.700 0.202 0.000 2.437 52 N HA 0.163 4.999 4.740 0.161 0.000 0.259 52 N C -2.009 173.656 175.510 0.258 0.000 0.983 52 N CA -0.042 53.112 53.050 0.172 0.000 0.937 52 N CB 1.878 40.400 38.487 0.058 0.000 1.122 52 N HN 0.373 8.741 8.380 -0.021 0.000 0.499 53 V N 4.758 124.798 119.914 0.210 0.000 2.735 53 V HA 0.381 4.634 4.120 0.222 0.000 0.310 53 V C -2.819 173.275 176.094 -0.001 0.000 1.061 53 V CA -2.589 59.809 62.300 0.164 0.000 0.913 53 V CB 3.987 35.934 31.823 0.206 0.000 1.005 53 V HN -0.269 8.018 8.190 0.162 0.000 0.428 54 E N 7.002 127.151 120.200 -0.085 0.000 2.195 54 E HA 0.740 5.192 4.350 -0.104 -0.163 0.271 54 E C -1.197 175.258 176.600 -0.242 0.000 0.923 54 E CA -1.980 54.341 56.400 -0.130 0.000 0.790 54 E CB 3.692 33.338 29.700 -0.089 0.000 1.155 54 E HN -0.123 8.186 8.360 -0.086 0.000 0.402 55 T N 5.650 120.076 114.554 -0.213 0.000 2.916 55 T HA 0.519 4.803 4.350 -0.302 -0.115 0.298 55 T C -1.861 172.738 174.700 -0.168 0.000 1.031 55 T CA -0.332 61.617 62.100 -0.250 0.000 0.993 55 T CB 2.360 71.043 68.868 -0.307 0.000 1.045 55 T HN -0.038 8.106 8.240 -0.160 0.000 0.454 56 V N -1.271 118.558 119.914 -0.142 0.000 2.971 56 V HA 0.690 4.918 4.120 -0.194 -0.225 0.309 56 V C -2.449 173.546 176.094 -0.165 0.000 1.130 56 V CA -2.823 59.370 62.300 -0.177 0.000 0.964 56 V CB 4.054 35.742 31.823 -0.224 0.000 1.029 56 V HN 0.735 8.848 8.190 -0.127 0.000 0.427 57 Q N 2.355 122.014 119.800 -0.235 0.000 2.353 57 Q HA 0.243 4.543 4.340 -0.066 0.000 0.268 57 Q C -1.625 174.230 176.000 -0.243 0.000 1.045 57 Q CA -0.710 55.002 55.803 -0.152 0.000 0.811 57 Q CB 3.626 32.315 28.738 -0.081 0.000 1.305 57 Q HN 0.281 8.457 8.270 -0.285 -0.077 0.447 58 Y N 6.025 126.319 120.300 -0.009 0.000 2.488 58 Y HA 0.132 4.668 4.550 -0.024 0.000 0.330 58 Y C -0.551 175.341 175.900 -0.013 0.000 1.013 58 Y CA -1.103 56.985 58.100 -0.021 0.000 1.304 58 Y CB 0.298 38.735 38.460 -0.039 0.000 1.098 58 Y HN 0.234 8.576 8.280 0.102 0.000 0.498 59 K N 1.451 121.949 120.400 0.164 0.000 11.017 59 K HA -0.574 3.790 4.320 0.073 0.000 0.514 59 K C 0.314 176.952 176.600 0.064 0.000 0.416 59 K CA 2.678 59.020 56.287 0.092 0.000 1.853 59 K CB -1.013 31.531 32.500 0.073 0.000 0.797 59 K HN 0.448 8.791 8.250 0.155 0.000 1.242 60 N N -3.173 115.564 118.700 0.063 0.000 2.474 60 N HA 0.036 4.800 4.740 0.041 0.000 0.224 60 N C -0.551 174.992 175.510 0.055 0.000 1.092 60 N CA 0.501 53.579 53.050 0.047 0.000 0.844 60 N CB 3.232 41.738 38.487 0.032 0.000 1.381 60 N HN -0.122 8.286 8.380 0.069 0.013 0.458 61 I N 3.414 124.027 120.570 0.072 0.000 2.471 61 I HA 0.105 4.510 4.170 0.060 -0.199 0.286 61 I C -1.546 174.641 176.117 0.117 0.000 1.079 61 I CA -0.623 60.727 61.300 0.083 0.000 1.398 61 I CB 0.046 38.094 38.000 0.080 0.000 1.403 61 I HN -0.619 7.635 8.210 0.073 0.000 0.530 62 S N 8.683 124.432 115.700 0.083 0.000 2.654 62 S HA 0.229 4.744 4.470 0.076 0.000 0.283 62 S C -1.769 172.897 174.600 0.110 0.000 1.180 62 S CA 0.274 58.517 58.200 0.070 0.000 1.021 62 S CB 1.869 65.081 63.200 0.019 0.000 1.018 62 S HN -0.158 8.186 8.310 0.058 0.000 0.532 63 F N 2.603 122.493 119.950 -0.100 0.000 2.581 63 F HA 0.793 5.506 4.527 -0.125 -0.261 0.311 63 F C -2.259 173.394 175.800 -0.244 0.000 1.113 63 F CA -1.262 56.657 58.000 -0.135 0.000 0.935 63 F CB 4.855 43.811 39.000 -0.074 0.000 1.232 63 F HN 0.729 9.077 8.300 0.080 0.000 0.445 64 T N 4.286 118.413 114.554 -0.710 0.000 2.971 64 T HA 0.432 4.641 4.350 -0.423 -0.113 0.304 64 T C -2.413 171.792 174.700 -0.826 0.000 1.038 64 T CA -1.288 60.394 62.100 -0.697 0.000 1.007 64 T CB 3.220 71.525 68.868 -0.939 0.000 1.055 64 T HN 0.185 7.687 8.240 -1.230 0.000 0.451 65 V N 4.772 124.389 119.914 -0.496 0.000 2.581 65 V HA 0.326 4.302 4.120 -0.240 0.000 0.303 65 V C -2.529 173.506 176.094 -0.098 0.000 1.041 65 V CA -2.031 60.128 62.300 -0.235 0.000 0.907 65 V CB 2.963 34.811 31.823 0.041 0.000 0.994 65 V HN -0.004 7.966 8.190 -0.366 0.000 0.442 66 W N 4.027 125.319 121.300 -0.014 0.000 3.700 66 W HA 0.434 5.134 4.660 0.066 0.000 0.279 66 W C -2.774 173.780 176.519 0.058 0.000 1.270 66 W CA -2.266 55.111 57.345 0.054 0.000 1.216 66 W CB 0.648 30.165 29.460 0.094 0.000 1.292 66 W HN -0.082 8.353 8.180 0.426 0.000 0.557 67 D N -0.590 119.974 120.400 0.273 0.000 2.383 67 D HA 0.195 4.885 4.640 0.084 0.000 0.248 67 D C -0.633 175.702 176.300 0.059 0.000 1.170 67 D CA -0.664 53.403 54.000 0.112 0.000 0.977 67 D CB 1.524 42.355 40.800 0.052 0.000 1.120 67 D HN 0.098 8.644 8.370 0.294 0.000 0.481 68 V N -2.806 117.117 119.914 0.015 0.000 3.120 68 V HA 0.312 4.432 4.120 -0.001 0.000 0.303 68 V C -1.851 174.254 176.094 0.019 0.000 1.238 68 V CA -1.288 61.008 62.300 -0.006 0.000 1.008 68 V CB 4.071 35.872 31.823 -0.035 0.000 1.064 68 V HN -0.251 7.948 8.190 0.014 0.000 0.434 69 G N 1.031 109.834 108.800 0.005 0.000 2.356 69 G HA2 0.105 4.092 3.960 0.046 0.000 0.294 69 G HA3 0.105 4.074 3.960 0.015 0.000 0.294 69 G C -0.585 174.312 174.900 -0.005 0.000 1.423 69 G CA 0.387 45.498 45.100 0.017 0.000 0.806 69 G HN 0.051 8.327 8.290 -0.025 0.000 0.527 70 G N -1.048 107.754 108.800 0.004 0.000 2.433 70 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.216 70 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 70 G C 0.475 175.365 174.900 -0.016 0.000 1.186 70 G CA 1.418 46.513 45.100 -0.008 0.000 0.779 70 G HN 0.418 8.719 8.290 0.018 0.000 0.543 71 Q N -1.514 118.279 119.800 -0.011 0.000 2.368 71 Q HA -0.211 4.121 4.340 -0.014 0.000 0.210 71 Q C 0.045 176.033 176.000 -0.020 0.000 0.982 71 Q CA 1.067 56.860 55.803 -0.016 0.000 0.884 71 Q CB -0.553 28.175 28.738 -0.017 0.000 0.933 71 Q HN 0.071 8.337 8.270 -0.006 0.000 0.460 72 D N 0.004 120.392 120.400 -0.019 0.000 2.345 72 D HA -0.004 4.630 4.640 -0.010 0.000 0.247 72 D C -0.575 175.733 176.300 0.015 0.000 1.108 72 D CA 0.588 54.591 54.000 0.005 0.000 0.894 72 D CB 1.032 41.848 40.800 0.026 0.000 1.203 72 D HN -0.655 7.531 8.370 -0.019 0.173 0.430 73 R N 0.574 121.131 120.500 0.095 0.000 2.527 73 R HA 0.110 4.425 4.340 -0.042 0.000 0.243 73 R C -1.053 175.176 176.300 -0.117 0.000 1.206 73 R CA -0.590 55.521 56.100 0.020 0.000 1.134 73 R CB 1.212 31.551 30.300 0.065 0.000 1.347 73 R HN -0.032 8.349 8.270 0.185 0.000 0.580 74 I N -6.251 114.183 120.570 -0.227 0.000 3.279 74 I HA 0.544 4.267 4.170 -0.745 0.000 0.315 74 I C -1.607 174.388 176.117 -0.203 0.000 1.187 74 I CA -2.164 58.840 61.300 -0.492 0.000 0.953 74 I CB 2.265 39.836 38.000 -0.715 0.000 1.279 74 I HN 0.125 8.260 8.210 -0.125 0.000 0.465 75 R N 0.279 120.748 120.500 -0.052 0.000 3.853 75 R HA 0.330 4.736 4.340 0.111 0.000 0.253 75 R C -1.121 175.414 176.300 0.393 0.000 1.046 75 R CA -0.416 55.780 56.100 0.161 0.000 0.856 75 R CB 1.609 31.949 30.300 0.066 0.000 1.667 75 R HN -0.032 8.119 8.270 -0.199 0.000 0.400 76 S N -0.204 115.631 115.700 0.226 0.000 2.523 76 S HA 0.104 4.638 4.470 0.105 0.000 0.217 76 S C 1.659 176.329 174.600 0.117 0.000 0.996 76 S CA 0.721 59.000 58.200 0.132 0.000 0.921 76 S CB 0.387 63.619 63.200 0.052 0.000 0.829 76 S HN 0.249 8.650 8.310 0.152 0.000 0.495 77 L N 2.505 123.854 121.223 0.210 0.000 2.131 77 L HA -0.058 4.371 4.340 0.148 0.000 0.206 77 L C 0.385 177.542 176.870 0.479 0.000 1.087 77 L CA 3.446 58.448 54.840 0.269 0.000 0.767 77 L CB -0.247 41.972 42.059 0.267 0.000 0.917 77 L HN -0.065 8.304 8.230 0.233 0.000 0.441 78 W N -3.893 117.548 121.300 0.235 0.000 2.402 78 W HA -0.302 4.766 4.660 0.681 0.000 0.286 78 W C 1.394 178.154 176.519 0.402 0.000 1.221 78 W CA 2.145 59.673 57.345 0.305 0.000 1.257 78 W CB -1.197 28.175 29.460 -0.147 0.000 1.120 78 W HN -0.123 8.455 8.180 0.663 0.000 0.551 79 R N 0.858 120.936 120.500 -0.703 0.000 2.066 79 R HA -0.412 3.281 4.340 -1.079 0.000 0.232 79 R C 1.827 178.049 176.300 -0.130 0.000 1.131 79 R CA 3.192 58.852 56.100 -0.734 0.000 0.955 79 R CB -0.553 29.320 30.300 -0.712 0.000 0.851 79 R HN -0.268 7.583 8.270 -0.671 0.016 0.432 80 H N -0.223 118.768 119.070 -0.132 0.000 2.265 80 H HA -0.348 4.118 4.556 -0.150 0.000 0.293 80 H C 2.433 177.695 175.328 -0.109 0.000 1.089 80 H CA 3.942 59.901 56.048 -0.147 0.000 1.244 80 H CB 0.446 30.071 29.762 -0.229 0.000 1.355 80 H HN -0.705 7.652 8.280 0.128 0.000 0.485 81 Y N -3.220 117.209 120.300 0.215 0.000 2.421 81 Y HA -0.337 4.258 4.550 0.075 0.000 0.292 81 Y C 1.980 177.966 175.900 0.144 0.000 1.136 81 Y CA 2.940 61.130 58.100 0.150 0.000 1.255 81 Y CB -0.752 37.798 38.460 0.150 0.000 0.991 81 Y HN -0.528 7.978 8.280 0.377 0.000 0.552 82 Y N 0.532 120.944 120.300 0.186 0.000 2.049 82 Y HA -0.491 4.184 4.550 0.208 0.000 0.277 82 Y C 2.192 178.096 175.900 0.007 0.000 1.143 82 Y CA 4.554 62.700 58.100 0.077 0.000 1.115 82 Y CB -0.034 38.328 38.460 -0.163 0.000 0.975 82 Y HN -0.372 7.993 8.280 0.400 0.155 0.487 83 R N -2.941 117.636 120.500 0.128 0.000 2.073 83 R HA -0.381 4.001 4.340 0.069 0.000 0.234 83 R C 1.452 177.753 176.300 0.002 0.000 1.134 83 R CA 3.161 59.283 56.100 0.037 0.000 0.952 83 R CB 0.116 30.392 30.300 -0.039 0.000 0.850 83 R HN -0.638 7.689 8.270 0.096 0.000 0.433 84 N N -3.395 115.298 118.700 -0.012 0.000 2.272 84 N HA -0.161 4.560 4.740 -0.031 0.000 0.185 84 N C 0.715 176.228 175.510 0.006 0.000 1.014 84 N CA 2.323 55.365 53.050 -0.013 0.000 0.870 84 N CB 0.238 38.713 38.487 -0.021 0.000 0.975 84 N HN -0.657 7.708 8.380 -0.026 0.000 0.433 85 T N 1.228 115.786 114.554 0.007 0.000 2.930 85 T HA -0.220 4.105 4.350 -0.041 0.000 0.306 85 T C -1.357 173.309 174.700 -0.058 0.000 1.045 85 T CA 2.535 64.608 62.100 -0.046 0.000 1.134 85 T CB 0.278 69.083 68.868 -0.104 0.000 0.961 85 T HN -0.221 7.890 8.240 0.030 0.147 0.545 86 E N 2.008 122.171 120.200 -0.062 0.000 2.641 86 E HA 0.216 4.543 4.350 -0.037 0.000 0.224 86 E C -1.249 175.319 176.600 -0.054 0.000 0.951 86 E CA -0.561 55.813 56.400 -0.042 0.000 1.102 86 E CB 2.568 32.260 29.700 -0.014 0.000 1.091 86 E HN -0.208 8.060 8.360 -0.069 0.050 0.507 87 G N -1.356 107.385 108.800 -0.098 0.000 2.760 87 G HA2 0.474 4.396 3.960 -0.062 0.000 0.285 87 G HA3 0.474 4.413 3.960 -0.062 -0.017 0.285 87 G C -2.937 171.846 174.900 -0.195 0.000 1.496 87 G CA 0.102 45.143 45.100 -0.098 0.000 1.026 87 G HN 0.095 8.271 8.290 -0.123 0.041 0.536 88 V N 7.612 127.361 119.914 -0.276 0.000 2.328 88 V HA 0.228 4.088 4.120 -0.434 0.000 0.278 88 V C -1.979 173.903 176.094 -0.354 0.000 1.021 88 V CA -0.715 61.269 62.300 -0.528 0.000 0.838 88 V CB 1.035 32.124 31.823 -1.223 0.000 0.999 88 V HN -0.027 8.036 8.190 -0.211 0.000 0.447 89 I N 6.920 127.423 120.570 -0.112 0.000 2.411 89 I HA 0.401 4.871 4.170 0.279 -0.133 0.284 89 I C -1.774 174.524 176.117 0.302 0.000 1.012 89 I CA -2.618 58.796 61.300 0.191 0.000 1.119 89 I CB 0.816 38.981 38.000 0.274 0.000 1.261 89 I HN -0.047 8.077 8.210 -0.143 0.000 0.448 90 F N 9.341 129.512 119.950 0.369 0.000 2.411 90 F HA 0.740 5.738 4.527 0.343 -0.265 0.350 90 F C -1.770 174.251 175.800 0.367 0.000 1.114 90 F CA -1.743 56.511 58.000 0.423 0.000 1.135 90 F CB 2.882 42.284 39.000 0.671 0.000 1.120 90 F HN 0.968 9.596 8.300 0.705 0.095 0.495 91 V N 8.005 127.942 119.914 0.038 0.000 2.483 91 V HA 0.517 4.994 4.120 0.315 -0.168 0.297 91 V C -1.781 174.331 176.094 0.030 0.000 1.027 91 V CA -2.061 60.324 62.300 0.142 0.000 0.855 91 V CB 1.351 33.240 31.823 0.111 0.000 0.995 91 V HN -0.027 7.940 8.190 -0.372 0.000 0.424 92 V N 6.851 126.871 119.914 0.178 0.000 3.103 92 V HA 0.228 4.408 4.120 0.100 0.000 0.318 92 V C -2.423 173.740 176.094 0.116 0.000 1.114 92 V CA -2.903 59.496 62.300 0.164 0.000 1.020 92 V CB 4.849 36.842 31.823 0.284 0.000 1.085 92 V HN -0.104 8.229 8.190 0.239 0.000 0.446 93 D N 2.315 122.771 120.400 0.094 0.000 2.277 93 D HA 0.256 5.067 4.640 0.064 -0.133 0.249 93 D C 0.746 177.086 176.300 0.067 0.000 1.134 93 D CA 0.338 54.379 54.000 0.069 0.000 0.863 93 D CB 0.646 41.477 40.800 0.053 0.000 1.143 93 D HN 0.325 8.755 8.370 0.100 0.000 0.458 94 S N 5.617 121.352 115.700 0.057 0.000 2.481 94 S HA -0.209 4.291 4.470 0.050 0.000 0.231 94 S C 0.613 175.235 174.600 0.036 0.000 0.996 94 S CA 2.090 60.318 58.200 0.047 0.000 0.942 94 S CB 0.216 63.441 63.200 0.041 0.000 0.768 94 S HN -0.101 8.242 8.310 0.056 0.000 0.520 95 N N -2.876 115.845 118.700 0.034 0.000 2.236 95 N HA 0.023 4.777 4.740 0.024 0.000 0.196 95 N C -1.359 174.168 175.510 0.029 0.000 1.114 95 N CA -0.431 52.635 53.050 0.027 0.000 0.859 95 N CB 0.807 39.307 38.487 0.022 0.000 0.982 95 N HN 0.170 8.532 8.380 0.037 0.041 0.493 96 D N -0.489 119.933 120.400 0.037 0.000 2.736 96 D HA 0.291 4.950 4.640 0.031 0.000 0.293 96 D C 0.593 176.920 176.300 0.044 0.000 1.241 96 D CA -1.712 52.311 54.000 0.038 0.000 0.965 96 D CB -1.284 39.541 40.800 0.043 0.000 0.992 96 D HN -0.596 7.620 8.370 0.043 0.180 0.510 97 R N 0.221 120.742 120.500 0.036 0.000 2.096 97 R HA -0.274 4.091 4.340 0.041 0.000 0.235 97 R C 1.368 177.689 176.300 0.035 0.000 1.127 97 R CA 2.972 59.093 56.100 0.035 0.000 0.968 97 R CB -0.788 29.527 30.300 0.026 0.000 0.861 97 R HN -0.531 7.757 8.270 0.030 0.000 0.440 98 S N 0.407 116.125 115.700 0.030 0.000 2.440 98 S HA -0.190 4.295 4.470 0.025 0.000 0.238 98 S C 0.809 175.430 174.600 0.035 0.000 1.010 98 S CA 2.487 60.704 58.200 0.028 0.000 0.972 98 S CB -0.496 62.717 63.200 0.023 0.000 0.774 98 S HN 0.236 8.563 8.310 0.028 0.000 0.501 99 R N -2.106 118.421 120.500 0.045 0.000 2.476 99 R HA 0.137 4.507 4.340 0.050 0.000 0.276 99 R C 0.001 176.348 176.300 0.078 0.000 0.941 99 R CA -0.540 55.593 56.100 0.056 0.000 1.088 99 R CB 0.743 31.075 30.300 0.054 0.000 1.216 99 R HN -0.608 7.513 8.270 0.045 0.175 0.533 100 I N 0.866 121.481 120.570 0.074 0.000 2.335 100 I HA -0.390 3.852 4.170 0.121 0.000 0.251 100 I C 0.627 176.800 176.117 0.094 0.000 1.129 100 I CA 2.833 64.188 61.300 0.092 0.000 1.402 100 I CB 0.105 38.147 38.000 0.070 0.000 1.069 100 I HN -0.026 8.015 8.210 0.060 0.205 0.424 101 G N -1.191 107.651 108.800 0.069 0.000 2.408 101 G HA2 -0.352 3.642 3.960 0.056 0.000 0.217 101 G HA3 -0.352 3.636 3.960 0.046 0.000 0.217 101 G C 1.054 175.998 174.900 0.074 0.000 1.150 101 G CA 2.207 47.343 45.100 0.060 0.000 0.776 101 G HN 0.075 8.381 8.290 0.059 0.019 0.542 102 E N 2.836 123.086 120.200 0.083 0.000 2.110 102 E HA -0.266 4.269 4.350 0.074 -0.140 0.193 102 E C 2.375 179.066 176.600 0.151 0.000 0.988 102 E CA 3.228 59.684 56.400 0.094 0.000 0.804 102 E CB -0.283 29.465 29.700 0.080 0.000 0.745 102 E HN -0.788 7.497 8.360 0.076 0.121 0.458 103 A N -0.619 122.323 122.820 0.204 0.000 1.898 103 A HA -0.323 4.279 4.320 0.470 0.000 0.216 103 A C 1.486 179.232 177.584 0.270 0.000 1.181 103 A CA 3.193 55.459 52.037 0.383 0.000 0.620 103 A CB -0.704 18.574 19.000 0.462 0.000 0.819 103 A HN -0.194 7.952 8.150 0.169 0.106 0.442 104 R N -0.960 119.614 120.500 0.124 0.000 2.083 104 R HA -0.397 3.915 4.340 -0.047 0.000 0.237 104 R C 2.184 178.483 176.300 -0.002 0.000 1.137 104 R CA 3.639 59.751 56.100 0.020 0.000 0.951 104 R CB -0.174 30.147 30.300 0.035 0.000 0.851 104 R HN -0.138 8.135 8.270 0.133 0.077 0.434 105 E N -0.963 119.262 120.200 0.043 0.000 2.077 105 E HA -0.341 4.010 4.350 0.002 0.000 0.193 105 E C 2.349 178.983 176.600 0.057 0.000 0.989 105 E CA 3.415 59.834 56.400 0.032 0.000 0.800 105 E CB -0.090 29.634 29.700 0.040 0.000 0.746 105 E HN -0.226 8.173 8.360 0.066 0.000 0.452 106 V N -0.058 119.934 119.914 0.131 0.000 2.343 106 V HA -0.414 3.792 4.120 0.143 0.000 0.247 106 V C 2.105 178.340 176.094 0.234 0.000 1.051 106 V CA 4.015 66.437 62.300 0.203 0.000 1.036 106 V CB -0.736 31.275 31.823 0.313 0.000 0.654 106 V HN -0.428 7.855 8.190 0.154 0.000 0.451 107 M N 0.281 119.948 119.600 0.111 0.000 2.175 107 M HA -0.463 4.134 4.480 0.195 0.000 0.264 107 M C 1.918 178.109 176.300 -0.182 0.000 1.063 107 M CA 3.537 58.762 55.300 -0.125 0.000 1.119 107 M CB -0.570 31.576 32.600 -0.756 0.000 1.377 107 M HN 0.185 8.437 8.290 0.078 0.084 0.415 108 Q N -0.312 119.395 119.800 -0.155 0.000 2.050 108 Q HA -0.365 3.804 4.340 -0.285 0.000 0.202 108 Q C 2.902 178.847 176.000 -0.091 0.000 0.980 108 Q CA 3.450 59.151 55.803 -0.169 0.000 0.840 108 Q CB -0.428 28.245 28.738 -0.107 0.000 0.898 108 Q HN 0.293 8.308 8.270 -0.104 0.193 0.424 109 R N -1.580 118.919 120.500 -0.001 0.000 2.090 109 R HA -0.175 4.175 4.340 0.017 0.000 0.228 109 R C 2.715 179.091 176.300 0.126 0.000 1.110 109 R CA 2.153 58.281 56.100 0.047 0.000 0.973 109 R CB -0.121 30.215 30.300 0.060 0.000 0.869 109 R HN -0.278 8.002 8.270 0.016 0.000 0.440 110 M N -0.573 119.160 119.600 0.222 0.000 2.132 110 M HA -0.260 4.520 4.480 0.500 0.000 0.263 110 M C 2.592 179.175 176.300 0.470 0.000 1.065 110 M CA 3.992 59.570 55.300 0.462 0.000 1.122 110 M CB 0.561 33.555 32.600 0.656 0.000 1.365 110 M HN -0.323 8.008 8.290 0.189 0.072 0.411 111 L N -2.881 118.384 121.223 0.070 0.000 2.456 111 L HA -0.235 4.015 4.340 -0.150 0.000 0.224 111 L C -0.648 176.173 176.870 -0.081 0.000 1.148 111 L CA 1.625 56.282 54.840 -0.304 0.000 0.825 111 L CB -0.000 41.486 42.059 -0.955 0.000 0.937 111 L HN 0.274 8.352 8.230 -0.069 0.110 0.450 112 N N -4.492 114.200 118.700 -0.012 0.000 2.461 112 N HA -0.175 4.534 4.740 -0.052 0.000 0.188 112 N C 0.059 175.596 175.510 0.044 0.000 1.134 112 N CA 0.118 53.162 53.050 -0.010 0.000 0.878 112 N CB -0.109 38.367 38.487 -0.018 0.000 0.972 112 N HN -0.885 7.326 8.380 0.017 0.179 0.456 113 E N 0.758 121.034 120.200 0.126 0.000 2.166 113 E HA -0.025 4.353 4.350 0.047 0.000 0.279 113 E C -0.169 176.494 176.600 0.106 0.000 1.095 113 E CA 0.251 56.724 56.400 0.122 0.000 0.888 113 E CB -0.066 29.782 29.700 0.246 0.000 1.041 113 E HN -0.718 7.670 8.360 0.198 0.092 0.414 114 D N 6.370 126.798 120.400 0.046 0.000 2.190 114 D HA -0.287 4.372 4.640 0.033 0.000 0.200 114 D C 1.679 178.009 176.300 0.049 0.000 0.992 114 D CA 3.887 57.907 54.000 0.034 0.000 0.854 114 D CB 0.268 41.072 40.800 0.006 0.000 0.936 114 D HN 0.560 8.943 8.370 0.021 0.000 0.462 115 E N -1.849 118.386 120.200 0.057 0.000 2.418 115 E HA -0.112 4.260 4.350 0.037 0.000 0.197 115 E C 0.895 177.556 176.600 0.102 0.000 1.026 115 E CA 1.902 58.338 56.400 0.061 0.000 0.862 115 E CB -0.014 29.713 29.700 0.046 0.000 0.799 115 E HN 0.317 8.682 8.360 0.047 0.024 0.518 116 L N -4.240 117.078 121.223 0.158 0.000 2.808 116 L HA 0.290 4.706 4.340 0.127 0.000 0.246 116 L C 0.612 177.609 176.870 0.210 0.000 1.153 116 L CA -0.728 54.228 54.840 0.194 0.000 0.956 116 L CB -0.119 42.123 42.059 0.305 0.000 1.270 116 L HN 0.075 8.196 8.230 0.164 0.207 0.528 117 R N 0.386 120.969 120.500 0.140 0.000 2.193 117 R HA -0.327 4.079 4.340 0.110 0.000 0.229 117 R C -0.408 175.949 176.300 0.094 0.000 1.110 117 R CA 3.038 59.199 56.100 0.101 0.000 0.988 117 R CB 0.056 30.386 30.300 0.049 0.000 0.871 117 R HN -0.741 7.416 8.270 0.112 0.181 0.458 118 N N -5.567 113.187 118.700 0.088 0.000 2.203 118 N HA 0.039 4.821 4.740 0.070 0.000 0.207 118 N C -0.857 174.703 175.510 0.085 0.000 1.130 118 N CA -0.703 52.391 53.050 0.073 0.000 0.861 118 N CB -0.331 38.185 38.487 0.048 0.000 1.005 118 N HN -0.350 8.042 8.380 0.087 0.040 0.507 119 A N -0.191 122.697 122.820 0.113 0.000 2.316 119 A HA 0.128 4.480 4.320 0.055 0.000 0.284 119 A C -1.042 176.629 177.584 0.145 0.000 1.115 119 A CA -0.795 51.294 52.037 0.087 0.000 0.812 119 A CB 1.230 20.244 19.000 0.023 0.000 1.064 119 A HN -0.611 7.429 8.150 0.145 0.196 0.489 120 A N 2.720 125.604 122.820 0.106 0.000 2.451 120 A HA -0.018 4.430 4.320 0.213 0.000 0.266 120 A C -1.556 176.155 177.584 0.213 0.000 1.119 120 A CA -0.336 51.802 52.037 0.168 0.000 0.786 120 A CB 0.823 19.898 19.000 0.125 0.000 1.061 120 A HN 0.375 8.560 8.150 0.059 0.000 0.503 121 W N 4.143 125.557 121.300 0.190 0.000 2.529 121 W HA 0.930 6.003 4.660 0.259 -0.258 0.321 121 W C -1.907 174.839 176.519 0.379 0.000 1.047 121 W CA -1.618 55.892 57.345 0.275 0.000 1.216 121 W CB 3.759 33.349 29.460 0.216 0.000 1.357 121 W HN -0.139 8.325 8.180 0.473 0.000 0.489 122 L N 4.905 126.505 121.223 0.628 0.000 2.422 122 L HA 0.509 5.176 4.340 0.369 -0.106 0.264 122 L C -2.623 174.445 176.870 0.330 0.000 0.984 122 L CA -1.816 53.255 54.840 0.384 0.000 0.819 122 L CB 4.322 46.509 42.059 0.214 0.000 1.330 122 L HN 0.162 8.693 8.230 0.502 0.000 0.410 123 V N 3.759 123.646 119.914 -0.045 0.000 2.513 123 V HA 0.830 5.361 4.120 0.285 -0.239 0.299 123 V C -0.906 174.999 176.094 -0.316 0.000 1.035 123 V CA -2.283 59.973 62.300 -0.072 0.000 0.889 123 V CB 0.930 32.507 31.823 -0.410 0.000 0.988 123 V HN 0.987 8.970 8.190 -0.172 0.104 0.440 124 F N 5.377 125.413 119.950 0.144 0.000 2.529 124 F HA 0.477 5.211 4.527 0.076 -0.161 0.320 124 F C -1.492 174.354 175.800 0.076 0.000 1.118 124 F CA -1.824 56.233 58.000 0.096 0.000 0.915 124 F CB 4.381 43.438 39.000 0.095 0.000 1.161 124 F HN 0.543 9.062 8.300 0.366 0.000 0.445 125 A N 3.035 125.982 122.820 0.213 0.000 2.276 125 A HA 0.338 4.738 4.320 0.133 0.000 0.300 125 A C -1.625 176.036 177.584 0.129 0.000 1.235 125 A CA -1.631 50.488 52.037 0.136 0.000 0.867 125 A CB 1.456 20.501 19.000 0.075 0.000 1.137 125 A HN 1.009 9.280 8.150 0.201 0.000 0.527 126 N N 4.694 123.456 118.700 0.102 0.000 2.518 126 N HA 0.172 5.074 4.740 0.062 -0.124 0.254 126 N C -1.042 174.497 175.510 0.047 0.000 0.979 126 N CA -0.050 53.040 53.050 0.067 0.000 0.930 126 N CB 2.468 40.989 38.487 0.056 0.000 1.152 126 N HN -0.234 8.209 8.380 0.105 0.000 0.505 127 K N 0.717 121.139 120.400 0.036 0.000 2.131 127 K HA -0.168 4.164 4.320 0.020 0.000 0.126 127 K C -0.290 176.325 176.600 0.025 0.000 1.324 127 K CA 0.557 56.860 56.287 0.027 0.000 0.421 127 K CB -1.018 31.499 32.500 0.028 0.000 3.152 127 K HN 0.599 8.871 8.250 0.037 0.000 0.659 128 Q N -1.790 118.026 119.800 0.027 0.000 2.436 128 Q HA -0.179 4.174 4.340 0.022 0.000 0.209 128 Q C 0.438 176.448 176.000 0.017 0.000 0.965 128 Q CA 1.490 57.307 55.803 0.023 0.000 0.910 128 Q CB -0.292 28.462 28.738 0.027 0.000 0.980 128 Q HN 0.084 8.269 8.270 0.030 0.102 0.491 129 D N -4.381 116.028 120.400 0.015 0.000 2.277 129 D HA -0.117 4.530 4.640 0.012 0.000 0.208 129 D C 0.547 176.853 176.300 0.010 0.000 0.962 129 D CA 0.487 54.494 54.000 0.012 0.000 0.865 129 D CB -0.510 40.296 40.800 0.010 0.000 0.939 129 D HN 0.018 8.344 8.370 0.016 0.054 0.510 130 L N 1.177 122.407 121.223 0.011 0.000 2.453 130 L HA 0.071 4.415 4.340 0.008 0.000 0.272 130 L C 0.774 177.649 176.870 0.008 0.000 1.182 130 L CA -0.934 53.912 54.840 0.009 0.000 0.858 130 L CB 0.258 42.324 42.059 0.012 0.000 1.120 130 L HN -0.815 7.282 8.230 0.013 0.141 0.474 131 P HA -0.081 4.342 4.420 0.005 0.000 0.223 131 P C -0.693 176.610 177.300 0.006 0.000 1.151 131 P CA 1.414 64.517 63.100 0.005 0.000 0.787 131 P CB -0.140 31.563 31.700 0.004 0.000 0.788 132 E N -3.071 117.133 120.200 0.007 0.000 2.496 132 E HA 0.100 4.453 4.350 0.006 0.000 0.200 132 E C -1.284 175.322 176.600 0.010 0.000 1.016 132 E CA -1.686 54.718 56.400 0.007 0.000 0.962 132 E CB -1.246 28.459 29.700 0.007 0.000 1.071 132 E HN -0.051 8.278 8.360 0.008 0.035 0.457 133 A N -0.334 122.493 122.820 0.011 0.000 2.316 133 A HA 0.118 4.448 4.320 0.017 0.000 0.284 133 A C -0.862 176.730 177.584 0.013 0.000 1.115 133 A CA -0.779 51.267 52.037 0.015 0.000 0.812 133 A CB 1.227 20.237 19.000 0.017 0.000 1.064 133 A HN -0.763 7.227 8.150 0.010 0.166 0.489 134 M N 1.787 121.397 119.600 0.016 0.000 2.242 134 M HA 0.010 4.494 4.480 0.008 0.000 0.344 134 M C -0.187 176.119 176.300 0.010 0.000 1.140 134 M CA 0.820 56.127 55.300 0.012 0.000 1.160 134 M CB 1.580 34.189 32.600 0.014 0.000 1.491 134 M HN 0.213 8.405 8.290 0.020 0.111 0.459 135 S N 1.256 116.957 115.700 0.002 0.000 2.632 135 S HA 0.108 4.580 4.470 0.003 0.000 0.271 135 S C 1.115 175.710 174.600 -0.008 0.000 1.260 135 S CA -0.078 58.120 58.200 -0.002 0.000 1.010 135 S CB 1.475 64.670 63.200 -0.007 0.000 0.965 135 S HN 0.227 8.537 8.310 -0.001 0.000 0.534 136 A N 3.530 126.343 122.820 -0.011 0.000 1.940 136 A HA -0.344 3.961 4.320 -0.025 0.000 0.219 136 A C 1.776 179.335 177.584 -0.041 0.000 1.176 136 A CA 3.188 55.210 52.037 -0.026 0.000 0.631 136 A CB -0.760 18.225 19.000 -0.025 0.000 0.814 136 A HN 0.637 8.783 8.150 -0.006 0.000 0.446 137 A N -1.640 121.160 122.820 -0.034 0.000 1.855 137 A HA -0.183 4.106 4.320 -0.051 0.000 0.215 137 A C 1.876 179.433 177.584 -0.045 0.000 1.191 137 A CA 2.837 54.848 52.037 -0.043 0.000 0.613 137 A CB -0.601 18.377 19.000 -0.038 0.000 0.829 137 A HN 0.266 8.384 8.150 -0.026 0.017 0.442 138 E N -1.052 119.128 120.200 -0.032 0.000 2.150 138 E HA -0.211 4.119 4.350 -0.033 0.000 0.193 138 E C 2.310 178.897 176.600 -0.021 0.000 0.985 138 E CA 2.801 59.185 56.400 -0.026 0.000 0.814 138 E CB -0.315 29.376 29.700 -0.016 0.000 0.752 138 E HN 0.113 8.457 8.360 -0.026 0.000 0.466 139 I N -0.238 120.320 120.570 -0.020 0.000 2.252 139 I HA -0.398 3.772 4.170 -0.000 0.000 0.245 139 I C 1.901 177.995 176.117 -0.037 0.000 1.102 139 I CA 4.168 65.459 61.300 -0.015 0.000 1.385 139 I CB 0.022 38.017 38.000 -0.008 0.000 1.064 139 I HN 0.594 8.670 8.210 -0.021 0.121 0.414 140 T N 2.352 116.868 114.554 -0.064 0.000 2.684 140 T HA -0.490 3.772 4.350 -0.147 0.000 0.267 140 T C 1.667 176.346 174.700 -0.036 0.000 1.036 140 T CA 5.718 67.763 62.100 -0.091 0.000 1.148 140 T CB -0.110 68.698 68.868 -0.099 0.000 0.863 140 T HN 0.297 8.384 8.240 -0.059 0.117 0.436 141 E N -0.751 119.428 120.200 -0.034 0.000 2.158 141 E HA -0.233 4.121 4.350 0.007 0.000 0.191 141 E C 2.966 179.568 176.600 0.003 0.000 0.982 141 E CA 2.556 58.944 56.400 -0.021 0.000 0.823 141 E CB -0.847 28.815 29.700 -0.063 0.000 0.766 141 E HN -0.338 7.993 8.360 -0.047 0.000 0.468 142 K N -0.344 120.055 120.400 -0.001 0.000 2.057 142 K HA -0.185 4.141 4.320 0.010 0.000 0.206 142 K C 1.843 178.458 176.600 0.025 0.000 1.050 142 K CA 2.426 58.720 56.287 0.011 0.000 0.935 142 K CB 0.293 32.800 32.500 0.011 0.000 0.715 142 K HN 0.035 8.092 8.250 -0.012 0.186 0.439 143 L N -7.962 113.277 121.223 0.027 0.000 2.612 143 L HA 0.150 4.520 4.340 0.049 0.000 0.230 143 L C 0.020 176.931 176.870 0.069 0.000 1.140 143 L CA -0.191 54.676 54.840 0.046 0.000 0.896 143 L CB -0.050 42.034 42.059 0.041 0.000 1.065 143 L HN -0.317 7.920 8.230 0.011 0.000 0.447 144 G N -1.858 106.982 108.800 0.066 0.000 2.160 144 G HA2 -0.405 3.605 3.960 0.084 0.000 0.251 144 G HA3 -0.405 3.594 3.960 0.065 0.000 0.251 144 G C 0.803 175.796 174.900 0.154 0.000 1.008 144 G CA 1.119 46.271 45.100 0.087 0.000 0.724 144 G HN -0.680 7.430 8.290 0.049 0.209 0.514 145 L N -0.147 121.174 121.223 0.164 0.000 2.187 145 L HA -0.389 4.330 4.340 0.631 0.000 0.213 145 L C 0.623 177.641 176.870 0.247 0.000 1.100 145 L CA 2.660 57.649 54.840 0.248 0.000 0.765 145 L CB -0.184 41.819 42.059 -0.093 0.000 0.904 145 L HN 0.144 8.393 8.230 0.086 0.032 0.437 146 H N -2.725 116.378 119.070 0.055 0.000 2.502 146 H HA -0.147 4.423 4.556 0.023 0.000 0.283 146 H C 0.651 175.993 175.328 0.024 0.000 1.015 146 H CA 2.099 58.163 56.048 0.027 0.000 1.298 146 H CB 0.274 30.036 29.762 0.000 0.000 1.411 146 H HN -0.626 7.751 8.280 0.220 0.034 0.556 147 S N -3.154 112.581 115.700 0.058 0.000 2.515 147 S HA -0.141 4.297 4.470 -0.052 0.000 0.231 147 S C 0.029 174.582 174.600 -0.078 0.000 0.987 147 S CA 1.433 59.619 58.200 -0.023 0.000 0.936 147 S CB 0.829 64.028 63.200 -0.001 0.000 0.766 147 S HN -0.189 8.005 8.310 0.123 0.190 0.528 148 I N 0.273 120.812 120.570 -0.053 0.000 2.385 148 I HA 0.025 4.081 4.170 -0.189 0.000 0.294 148 I C -1.242 174.799 176.117 -0.125 0.000 0.988 148 I CA -0.939 60.273 61.300 -0.147 0.000 1.265 148 I CB 1.117 38.933 38.000 -0.307 0.000 1.388 148 I HN -0.930 7.143 8.210 0.047 0.165 0.480 149 R N 6.932 127.339 120.500 -0.156 0.000 2.705 149 R HA -0.271 3.997 4.340 -0.120 0.000 0.264 149 R C -1.025 175.222 176.300 -0.088 0.000 0.988 149 R CA 0.668 56.695 56.100 -0.121 0.000 1.103 149 R CB 0.385 30.617 30.300 -0.113 0.000 0.950 149 R HN 0.247 8.408 8.270 -0.183 0.000 0.427 150 N N 2.550 121.207 118.700 -0.072 0.000 2.458 150 N HA -0.187 4.525 4.740 -0.048 0.000 0.270 150 N C -0.092 175.402 175.510 -0.027 0.000 1.102 150 N CA 1.560 54.577 53.050 -0.054 0.000 0.967 150 N CB 0.265 38.717 38.487 -0.059 0.000 1.078 150 N HN 0.136 8.468 8.380 -0.079 0.000 0.471 151 R N 2.658 123.151 120.500 -0.012 0.000 1.703 151 R HA -0.152 4.229 4.340 0.068 0.000 0.201 151 R C -1.729 174.635 176.300 0.107 0.000 0.717 151 R CA 1.260 57.389 56.100 0.049 0.000 1.744 151 R CB -2.445 27.883 30.300 0.047 0.000 1.121 151 R HN 0.430 8.679 8.270 -0.034 0.000 0.550 152 P HA -0.219 4.244 4.420 0.072 0.000 0.214 152 P C -1.352 176.109 177.300 0.269 0.000 1.172 152 P CA 2.112 65.243 63.100 0.052 0.000 0.925 152 P CB 0.328 31.900 31.700 -0.213 0.000 0.793 153 W N -7.359 113.967 121.300 0.044 0.000 2.975 153 W HA 0.890 5.903 4.660 0.262 -0.196 0.342 153 W C -2.148 174.393 176.519 0.036 0.000 1.168 153 W CA -4.088 53.341 57.345 0.141 0.000 1.141 153 W CB 1.201 30.759 29.460 0.164 0.000 1.445 153 W HN -0.595 7.874 8.180 0.482 0.000 0.560 154 F N -1.033 119.017 119.950 0.166 0.000 2.556 154 F HA 0.293 4.811 4.527 -0.015 0.000 0.327 154 F C -1.452 174.192 175.800 -0.260 0.000 1.059 154 F CA -1.710 56.273 58.000 -0.028 0.000 0.953 154 F CB 4.519 43.557 39.000 0.063 0.000 1.227 154 F HN -0.447 8.136 8.300 0.472 0.000 0.478 155 I N 0.604 121.149 120.570 -0.042 0.000 2.569 155 I HA 0.559 4.724 4.170 -0.308 -0.179 0.296 155 I C -1.710 174.361 176.117 -0.077 0.000 1.028 155 I CA -1.990 59.193 61.300 -0.195 0.000 1.082 155 I CB 2.954 40.785 38.000 -0.281 0.000 1.264 155 I HN -0.092 8.175 8.210 0.096 0.000 0.429 156 Q N 6.994 126.712 119.800 -0.137 0.000 2.295 156 Q HA 0.264 4.592 4.340 -0.019 0.000 0.268 156 Q C -2.341 173.675 176.000 0.028 0.000 1.010 156 Q CA -1.013 54.764 55.803 -0.042 0.000 0.856 156 Q CB 5.041 33.764 28.738 -0.025 0.000 1.349 156 Q HN -0.055 8.088 8.270 -0.211 0.000 0.412 157 A N 4.285 127.127 122.820 0.036 0.000 2.331 157 A HA 0.090 4.449 4.320 0.065 0.000 0.283 157 A C -1.294 176.338 177.584 0.081 0.000 1.142 157 A CA -0.165 51.904 52.037 0.054 0.000 0.812 157 A CB 0.908 19.922 19.000 0.025 0.000 1.074 157 A HN 0.367 8.526 8.150 0.015 0.000 0.497 158 T N -3.227 111.381 114.554 0.090 0.000 2.762 158 T HA 0.580 5.056 4.350 0.059 -0.090 0.301 158 T C -1.439 173.288 174.700 0.045 0.000 1.299 158 T CA -1.460 60.684 62.100 0.074 0.000 1.005 158 T CB 3.228 72.155 68.868 0.099 0.000 1.377 158 T HN 0.276 8.477 8.240 0.089 0.091 0.504 159 C N -1.215 118.099 119.300 0.022 0.000 2.407 159 C HA 0.656 5.126 4.460 0.017 0.000 0.328 159 C C 0.531 175.514 174.990 -0.013 0.000 1.137 159 C CA -2.831 56.194 59.018 0.011 0.000 1.390 159 C CB 2.804 30.553 27.740 0.014 0.000 1.989 159 C HN 0.303 8.543 8.230 0.016 0.000 0.432 160 A N 6.610 129.419 122.820 -0.017 0.000 2.019 160 A HA -0.260 4.015 4.320 -0.074 0.000 0.219 160 A C 0.834 178.395 177.584 -0.038 0.000 1.164 160 A CA 2.881 54.893 52.037 -0.041 0.000 0.644 160 A CB -0.308 18.676 19.000 -0.027 0.000 0.805 160 A HN 0.771 8.919 8.150 -0.003 0.000 0.449 161 T N -4.035 110.507 114.554 -0.019 0.000 2.732 161 T HA -0.222 4.114 4.350 -0.023 0.000 0.261 161 T C 1.166 175.862 174.700 -0.006 0.000 1.040 161 T CA 2.419 64.509 62.100 -0.016 0.000 1.145 161 T CB -0.089 68.774 68.868 -0.009 0.000 0.866 161 T HN -0.410 7.797 8.240 -0.011 0.026 0.427 162 S N -0.439 115.264 115.700 0.006 0.000 2.527 162 S HA -0.003 4.483 4.470 0.027 0.000 0.222 162 S C 0.975 175.608 174.600 0.056 0.000 0.985 162 S CA 0.365 58.581 58.200 0.027 0.000 0.921 162 S CB 0.259 63.476 63.200 0.029 0.000 0.772 162 S HN -0.090 8.222 8.310 0.004 0.000 0.529 163 G N 0.710 109.517 108.800 0.013 0.000 2.184 163 G HA2 -0.406 3.453 3.960 -0.169 0.000 0.264 163 G HA3 -0.406 3.590 3.960 0.059 0.000 0.264 163 G C -1.341 173.586 174.900 0.045 0.000 0.975 163 G CA 0.441 45.523 45.100 -0.031 0.000 0.642 163 G HN -0.471 7.757 8.290 -0.014 0.054 0.536 164 E N 1.598 121.841 120.200 0.072 0.000 2.265 164 E HA -0.110 4.335 4.350 0.159 0.000 0.272 164 E C -0.098 176.537 176.600 0.058 0.000 1.067 164 E CA 0.553 57.008 56.400 0.092 0.000 0.900 164 E CB 0.212 29.949 29.700 0.062 0.000 1.017 164 E HN -0.802 7.508 8.360 0.050 0.080 0.431 165 G N 4.266 113.116 108.800 0.083 0.000 2.254 165 G HA2 -0.406 3.600 3.960 0.075 0.000 0.225 165 G HA3 -0.406 3.592 3.960 0.063 0.000 0.225 165 G C 0.649 175.578 174.900 0.049 0.000 1.003 165 G CA 0.919 46.060 45.100 0.069 0.000 0.622 165 G HN 0.362 8.737 8.290 0.142 0.000 0.507 166 L N 1.501 122.679 121.223 -0.075 0.000 2.044 166 L HA -0.332 3.911 4.340 -0.162 0.000 0.205 166 L C 1.017 177.755 176.870 -0.220 0.000 1.075 166 L CA 3.009 57.709 54.840 -0.233 0.000 0.747 166 L CB -0.363 41.431 42.059 -0.443 0.000 0.903 166 L HN -0.835 7.260 8.230 -0.087 0.083 0.435 167 Y N -2.828 117.468 120.300 -0.007 0.000 2.163 167 Y HA -0.493 4.043 4.550 -0.024 0.000 0.288 167 Y C 2.425 178.345 175.900 0.034 0.000 1.136 167 Y CA 4.167 62.264 58.100 -0.005 0.000 1.147 167 Y CB -1.041 37.411 38.460 -0.013 0.000 0.987 167 Y HN -0.819 7.322 8.280 -0.230 0.000 0.509 168 E N -0.547 119.776 120.200 0.205 0.000 2.204 168 E HA -0.359 4.078 4.350 0.147 0.000 0.195 168 E C 2.650 179.361 176.600 0.186 0.000 0.990 168 E CA 2.469 58.956 56.400 0.145 0.000 0.821 168 E CB -0.571 29.170 29.700 0.068 0.000 0.750 168 E HN 0.274 8.767 8.360 0.222 0.000 0.477 169 G N -1.225 107.704 108.800 0.215 0.000 2.394 169 G HA2 -0.163 4.024 3.960 0.378 0.000 0.215 169 G HA3 -0.163 4.124 3.960 0.546 0.000 0.215 169 G C 1.149 176.284 174.900 0.391 0.000 1.165 169 G CA 1.986 47.322 45.100 0.394 0.000 0.784 169 G HN -0.343 7.910 8.290 0.161 0.133 0.535 170 L N -0.868 120.475 121.223 0.200 0.000 2.068 170 L HA -0.108 4.345 4.340 0.188 0.000 0.204 170 L C 1.752 178.711 176.870 0.149 0.000 1.076 170 L CA 2.909 57.831 54.840 0.138 0.000 0.753 170 L CB -0.956 41.108 42.059 0.008 0.000 0.910 170 L HN -0.573 7.729 8.230 0.120 0.000 0.439 171 E N 0.056 120.351 120.200 0.158 0.000 2.070 171 E HA -0.419 3.986 4.350 0.092 0.000 0.197 171 E C 1.795 178.520 176.600 0.207 0.000 1.004 171 E CA 4.180 60.671 56.400 0.152 0.000 0.805 171 E CB -0.296 29.500 29.700 0.160 0.000 0.744 171 E HN -0.073 8.382 8.360 0.159 0.000 0.451 172 W N -1.468 119.843 121.300 0.019 0.000 2.355 172 W HA -0.291 4.346 4.660 -0.039 0.000 0.309 172 W C 1.873 178.377 176.519 -0.025 0.000 1.206 172 W CA 2.116 59.447 57.345 -0.024 0.000 1.284 172 W CB 0.588 30.017 29.460 -0.052 0.000 1.145 172 W HN -0.562 7.860 8.180 0.403 0.000 0.502 173 L N -2.170 119.138 121.223 0.142 0.000 2.079 173 L HA -0.327 3.998 4.340 -0.025 0.000 0.210 173 L C 2.882 179.743 176.870 -0.016 0.000 1.081 173 L CA 2.767 57.643 54.840 0.060 0.000 0.752 173 L CB -1.208 40.983 42.059 0.220 0.000 0.896 173 L HN -0.372 7.966 8.230 0.289 0.065 0.433 174 S N -0.663 115.039 115.700 0.003 0.000 2.368 174 S HA -0.403 4.063 4.470 -0.007 0.000 0.225 174 S C 2.119 176.672 174.600 -0.079 0.000 1.030 174 S CA 4.058 62.245 58.200 -0.022 0.000 0.999 174 S CB -0.274 62.922 63.200 -0.007 0.000 0.844 174 S HN 0.557 8.691 8.310 0.052 0.206 0.459 175 N N 0.978 119.585 118.700 -0.155 0.000 2.069 175 N HA -0.276 4.379 4.740 -0.142 0.000 0.191 175 N C 2.028 177.396 175.510 -0.236 0.000 1.031 175 N CA 3.132 56.045 53.050 -0.228 0.000 0.852 175 N CB 0.099 38.341 38.487 -0.409 0.000 1.018 175 N HN -0.699 7.507 8.380 -0.151 0.084 0.423 176 S N -0.173 115.350 115.700 -0.297 0.000 2.399 176 S HA -0.325 4.014 4.470 -0.219 0.000 0.231 176 S C 1.383 175.931 174.600 -0.087 0.000 1.022 176 S CA 3.309 61.385 58.200 -0.207 0.000 0.983 176 S CB -0.035 63.043 63.200 -0.204 0.000 0.803 176 S HN -0.608 7.480 8.310 -0.371 0.000 0.480 177 L N -0.047 121.139 121.223 -0.061 0.000 2.341 177 L HA -0.095 4.244 4.340 -0.000 0.000 0.214 177 L C 1.360 178.223 176.870 -0.012 0.000 1.115 177 L CA 1.820 56.650 54.840 -0.015 0.000 0.820 177 L CB 0.142 42.202 42.059 0.003 0.000 0.944 177 L HN -0.546 7.513 8.230 -0.081 0.122 0.452 178 K N -1.751 118.631 120.400 -0.030 0.000 2.116 178 K HA -0.214 4.115 4.320 0.015 0.000 0.203 178 K C 0.437 177.036 176.600 -0.001 0.000 1.052 178 K CA 2.111 58.394 56.287 -0.007 0.000 0.952 178 K CB 0.420 32.911 32.500 -0.015 0.000 0.729 178 K HN -0.210 7.843 8.250 -0.060 0.162 0.446 179 N N 0.106 118.790 118.700 -0.027 0.000 2.527 179 N HA 0.096 4.834 4.740 -0.003 0.000 0.236 179 N C -1.522 173.983 175.510 -0.008 0.000 0.999 179 N CA 0.036 53.075 53.050 -0.018 0.000 0.935 179 N CB 0.540 39.003 38.487 -0.039 0.000 1.132 179 N HN -0.502 7.846 8.380 -0.054 0.000 0.511 180 S N 4.667 120.371 115.700 0.006 0.000 2.508 180 S HA 0.222 4.700 4.470 0.014 0.000 0.284 180 S C 0.589 175.197 174.600 0.013 0.000 1.192 180 S CA -0.234 57.974 58.200 0.013 0.000 1.070 180 S CB 1.206 64.417 63.200 0.019 0.000 1.004 180 S HN 0.070 8.387 8.310 0.011 0.000 0.493 181 T N 0.000 114.564 114.554 0.017 0.000 3.816 181 T HA 0.000 4.358 4.350 0.014 0.000 0.228 181 T CA 0.000 62.110 62.100 0.017 0.000 1.349 181 T CB 0.000 68.881 68.868 0.022 0.000 0.612 181 T HN 0.000 8.252 8.240 0.021 0.000 0.658