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 2jok_1_A DATA FIRST_RESID 78 DATA SEQUENCE TGDAKQAIRH FVDEAVKQVA HARTPEIRQD AEFGRQVYEA TLCAIFSEAK DATA SEQUENCE DRFCMDPATR AGNVRPAFIE ALGDAARATG LPGADKQGVF TPSGAGTNPL DATA SEQUENCE YTEIRLRADT LMGAELAARP EYRELQPYAR QQAIDLVANA LPAERSNTLV DATA SEQUENCE EFRQTVQTLE ATYRRAAQDA SRDEKGATNA ADGA 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 78 T HA 0.000 4.332 4.350 -0.029 0.000 0.228 78 T C 0.000 174.692 174.700 -0.013 0.000 1.109 78 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 78 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 79 G N 0.912 109.708 108.800 -0.005 0.000 2.813 79 G HA2 0.004 3.959 3.960 -0.009 0.000 0.209 79 G HA3 0.004 3.963 3.960 -0.003 0.000 0.209 79 G C -0.948 173.944 174.900 -0.014 0.000 1.150 79 G CA 0.660 45.755 45.100 -0.008 0.000 0.785 79 G HN -0.125 8.167 8.290 0.003 0.000 0.535 80 D N 0.086 120.473 120.400 -0.021 0.000 2.849 80 D HA 0.155 4.774 4.640 -0.035 0.000 0.314 80 D C -1.099 175.161 176.300 -0.067 0.000 1.210 80 D CA -0.665 53.313 54.000 -0.037 0.000 0.756 80 D CB -0.962 39.819 40.800 -0.031 0.000 1.222 80 D HN -0.193 8.105 8.370 -0.018 0.062 0.521 81 A N 2.109 124.891 122.820 -0.063 0.000 2.093 81 A HA -0.433 3.835 4.320 -0.087 0.000 0.222 81 A C 1.222 178.708 177.584 -0.163 0.000 1.162 81 A CA 2.917 54.901 52.037 -0.089 0.000 0.655 81 A CB -0.280 18.693 19.000 -0.046 0.000 0.805 81 A HN 0.509 8.633 8.150 -0.044 0.000 0.461 82 K N -4.109 116.204 120.400 -0.145 0.000 2.074 82 K HA -0.370 3.829 4.320 -0.201 0.000 0.209 82 K C 1.399 177.826 176.600 -0.288 0.000 1.048 82 K CA 2.764 58.941 56.287 -0.184 0.000 0.926 82 K CB -0.196 32.237 32.500 -0.112 0.000 0.713 82 K HN -0.033 8.092 8.250 -0.100 0.066 0.444 83 Q N -4.706 114.922 119.800 -0.287 0.000 2.390 83 Q HA 0.037 3.981 4.340 -0.660 0.000 0.216 83 Q C 2.223 177.790 176.000 -0.721 0.000 0.916 83 Q CA 1.210 56.704 55.803 -0.514 0.000 0.911 83 Q CB 1.068 29.674 28.738 -0.220 0.000 1.035 83 Q HN -0.120 7.932 8.270 -0.191 0.103 0.541 84 A N 1.655 124.309 122.820 -0.275 0.000 1.823 84 A HA -0.255 4.099 4.320 0.056 0.000 0.214 84 A C 1.722 179.340 177.584 0.056 0.000 1.227 84 A CA 3.250 55.267 52.037 -0.035 0.000 0.616 84 A CB -0.740 18.289 19.000 0.048 0.000 0.874 84 A HN -0.178 7.860 8.150 -0.186 0.000 0.455 85 I N -0.014 120.542 120.570 -0.023 0.000 2.290 85 I HA -0.402 3.750 4.170 -0.031 0.000 0.253 85 I C 2.027 178.116 176.117 -0.046 0.000 1.112 85 I CA 2.343 63.630 61.300 -0.021 0.000 1.377 85 I CB -0.988 36.979 38.000 -0.054 0.000 1.060 85 I HN -0.246 7.922 8.210 -0.070 0.000 0.428 86 R N -1.380 118.927 120.500 -0.321 0.000 2.075 86 R HA -0.450 3.524 4.340 -0.610 0.000 0.232 86 R C 1.949 178.038 176.300 -0.352 0.000 1.126 86 R CA 3.681 59.404 56.100 -0.628 0.000 0.963 86 R CB -0.179 29.533 30.300 -0.980 0.000 0.858 86 R HN -0.622 7.389 8.270 -0.368 0.038 0.435 87 H N -1.029 117.987 119.070 -0.090 0.000 2.457 87 H HA -0.075 4.542 4.556 0.102 0.000 0.294 87 H C 2.587 177.938 175.328 0.039 0.000 1.064 87 H CA 0.676 56.734 56.048 0.017 0.000 1.330 87 H CB -0.628 29.113 29.762 -0.034 0.000 1.395 87 H HN 0.115 8.039 8.280 -0.430 0.098 0.541 88 F N -0.987 119.037 119.950 0.123 0.000 2.186 88 F HA -0.267 4.330 4.527 0.117 0.000 0.299 88 F C 1.767 177.651 175.800 0.141 0.000 1.090 88 F CA 4.651 62.719 58.000 0.113 0.000 1.307 88 F CB -0.495 38.550 39.000 0.075 0.000 1.019 88 F HN -0.635 7.860 8.300 0.535 0.126 0.489 89 V N -0.741 119.377 119.914 0.340 0.000 2.343 89 V HA -0.567 3.723 4.120 0.284 0.000 0.247 89 V C 1.611 177.896 176.094 0.319 0.000 1.051 89 V CA 4.357 66.848 62.300 0.319 0.000 1.036 89 V CB -0.154 31.869 31.823 0.333 0.000 0.654 89 V HN -0.827 7.439 8.190 0.305 0.107 0.451 90 D N -0.878 119.768 120.400 0.411 0.000 2.116 90 D HA -0.393 4.376 4.640 0.215 0.000 0.193 90 D C 1.922 178.313 176.300 0.152 0.000 0.998 90 D CA 3.665 57.833 54.000 0.280 0.000 0.836 90 D CB -0.286 40.695 40.800 0.302 0.000 0.951 90 D HN -0.719 7.882 8.370 0.513 0.076 0.449 91 E N -0.831 119.444 120.200 0.124 0.000 2.013 91 E HA -0.444 3.937 4.350 0.052 0.000 0.202 91 E C 2.135 178.793 176.600 0.097 0.000 1.018 91 E CA 2.708 59.152 56.400 0.074 0.000 0.834 91 E CB -0.224 29.495 29.700 0.032 0.000 0.770 91 E HN -0.802 7.638 8.360 0.133 0.000 0.459 92 A N -0.657 122.237 122.820 0.124 0.000 1.894 92 A HA -0.382 3.999 4.320 0.101 0.000 0.220 92 A C 2.034 179.681 177.584 0.106 0.000 1.237 92 A CA 3.011 55.119 52.037 0.119 0.000 0.660 92 A CB -0.646 18.441 19.000 0.145 0.000 0.835 92 A HN -0.784 7.453 8.150 0.145 0.000 0.461 93 V N -1.403 118.580 119.914 0.116 0.000 2.231 93 V HA -0.785 3.379 4.120 0.073 0.000 0.250 93 V C 1.993 178.134 176.094 0.078 0.000 1.058 93 V CA 4.700 67.052 62.300 0.086 0.000 1.022 93 V CB -0.315 31.556 31.823 0.081 0.000 0.640 93 V HN -0.082 8.194 8.190 0.143 0.000 0.445 94 K N -1.401 119.058 120.400 0.099 0.000 1.988 94 K HA -0.574 3.837 4.320 0.152 0.000 0.221 94 K C 2.259 178.993 176.600 0.223 0.000 1.053 94 K CA 4.048 60.433 56.287 0.163 0.000 0.959 94 K CB -0.480 32.111 32.500 0.150 0.000 0.728 94 K HN -0.340 7.967 8.250 0.095 0.000 0.447 95 Q N -1.680 118.203 119.800 0.138 0.000 2.065 95 Q HA -0.454 3.935 4.340 0.082 0.000 0.213 95 Q C 2.677 178.749 176.000 0.119 0.000 1.012 95 Q CA 3.195 59.062 55.803 0.105 0.000 0.876 95 Q CB -0.136 28.641 28.738 0.064 0.000 0.954 95 Q HN -0.577 7.755 8.270 0.103 0.000 0.413 96 V N -0.174 119.790 119.914 0.085 0.000 2.295 96 V HA -0.526 3.625 4.120 0.052 0.000 0.246 96 V C 1.792 177.914 176.094 0.047 0.000 1.049 96 V CA 3.827 66.159 62.300 0.053 0.000 1.024 96 V CB -0.785 31.051 31.823 0.022 0.000 0.648 96 V HN -0.529 7.709 8.190 0.079 0.000 0.447 97 A N 0.622 123.462 122.820 0.034 0.000 1.896 97 A HA -0.448 3.832 4.320 -0.067 0.000 0.220 97 A C 1.120 178.649 177.584 -0.092 0.000 1.206 97 A CA 3.352 55.359 52.037 -0.050 0.000 0.647 97 A CB -0.594 18.352 19.000 -0.091 0.000 0.828 97 A HN 0.585 8.596 8.150 0.052 0.170 0.455 98 H N -2.935 116.138 119.070 0.006 0.000 2.357 98 H HA -0.120 4.443 4.556 0.011 0.000 0.301 98 H C 2.996 178.333 175.328 0.015 0.000 1.082 98 H CA 3.286 59.340 56.048 0.010 0.000 1.342 98 H CB 0.079 29.845 29.762 0.008 0.000 1.389 98 H HN -0.298 8.141 8.280 0.266 0.000 0.511 99 A N 0.774 123.676 122.820 0.136 0.000 1.892 99 A HA -0.290 4.076 4.320 0.076 0.000 0.218 99 A C 1.289 178.908 177.584 0.057 0.000 1.188 99 A CA 2.923 55.007 52.037 0.078 0.000 0.631 99 A CB -0.358 18.675 19.000 0.055 0.000 0.822 99 A HN -0.198 7.977 8.150 0.157 0.069 0.447 100 R N -4.845 115.688 120.500 0.055 0.000 2.515 100 R HA 0.236 4.621 4.340 0.076 0.000 0.294 100 R C 1.260 177.623 176.300 0.106 0.000 1.021 100 R CA -0.635 55.516 56.100 0.086 0.000 1.081 100 R CB 0.104 30.465 30.300 0.102 0.000 1.263 100 R HN -0.141 8.156 8.270 0.045 0.000 0.557 101 T N 3.332 117.917 114.554 0.052 0.000 2.852 101 T HA 0.147 4.504 4.350 0.012 0.000 0.256 101 T C -1.039 173.694 174.700 0.056 0.000 1.038 101 T CA 6.014 68.126 62.100 0.021 0.000 1.141 101 T CB -1.670 67.166 68.868 -0.054 0.000 0.869 101 T HN -0.392 7.673 8.240 0.047 0.203 0.439 102 P HA -0.040 4.408 4.420 0.048 0.000 0.222 102 P C 0.953 178.303 177.300 0.082 0.000 1.147 102 P CA 2.491 65.626 63.100 0.059 0.000 0.790 102 P CB -0.277 31.452 31.700 0.048 0.000 0.780 103 E N -2.205 118.070 120.200 0.124 0.000 2.112 103 E HA -0.189 4.220 4.350 0.098 0.000 0.190 103 E C 2.041 178.858 176.600 0.361 0.000 0.979 103 E CA 2.047 58.553 56.400 0.176 0.000 0.814 103 E CB -0.715 29.032 29.700 0.077 0.000 0.762 103 E HN 0.242 8.636 8.360 0.121 0.039 0.460 104 I N -2.168 118.624 120.570 0.369 0.000 2.226 104 I HA -0.406 3.829 4.170 0.108 0.000 0.245 104 I C 1.566 177.722 176.117 0.065 0.000 1.100 104 I CA 3.372 64.760 61.300 0.146 0.000 1.374 104 I CB -0.034 37.939 38.000 -0.045 0.000 1.057 104 I HN -0.952 7.441 8.210 0.305 0.000 0.413 105 R N -3.514 117.021 120.500 0.059 0.000 2.189 105 R HA -0.297 4.049 4.340 0.010 0.000 0.218 105 R C 1.772 178.099 176.300 0.045 0.000 1.074 105 R CA 1.900 58.018 56.100 0.031 0.000 0.991 105 R CB -0.406 29.906 30.300 0.020 0.000 0.883 105 R HN -0.778 7.535 8.270 0.072 0.000 0.457 106 Q N 0.008 119.852 119.800 0.073 0.000 2.050 106 Q HA -0.208 4.158 4.340 0.044 0.000 0.202 106 Q C 0.187 176.224 176.000 0.063 0.000 0.980 106 Q CA 2.160 58.001 55.803 0.063 0.000 0.840 106 Q CB 0.488 29.268 28.738 0.069 0.000 0.898 106 Q HN -0.497 7.680 8.270 0.099 0.152 0.424 107 D N -2.054 118.402 120.400 0.093 0.000 2.934 107 D HA 0.180 4.850 4.640 0.049 0.000 0.230 107 D C -1.550 174.789 176.300 0.066 0.000 1.204 107 D CA -0.474 53.573 54.000 0.079 0.000 0.873 107 D CB 2.755 43.613 40.800 0.098 0.000 1.645 107 D HN -0.639 7.812 8.370 0.135 0.000 0.502 108 A N 2.387 125.221 122.820 0.025 0.000 2.650 108 A HA 0.074 4.372 4.320 -0.038 0.000 0.320 108 A C -1.048 176.531 177.584 -0.009 0.000 1.466 108 A CA 0.037 52.067 52.037 -0.012 0.000 1.099 108 A CB -0.480 18.506 19.000 -0.022 0.000 1.136 108 A HN 0.442 8.606 8.150 0.022 0.000 0.532 109 E N 4.710 124.902 120.200 -0.014 0.000 2.324 109 E HA -0.120 4.220 4.350 -0.017 0.000 0.279 109 E C 0.395 177.000 176.600 0.008 0.000 1.081 109 E CA 1.026 57.431 56.400 0.008 0.000 2.045 109 E CB 0.569 30.301 29.700 0.054 0.000 2.820 109 E HN -0.009 8.323 8.360 -0.046 0.000 1.085 110 F N 2.154 122.107 119.950 0.005 0.000 2.307 110 F HA -0.203 4.332 4.527 0.013 0.000 0.301 110 F C 0.889 176.699 175.800 0.016 0.000 1.076 110 F CA 2.154 60.160 58.000 0.010 0.000 1.383 110 F CB -0.100 38.903 39.000 0.005 0.000 1.055 110 F HN 0.201 8.651 8.300 0.250 0.000 0.526 111 G N -1.829 106.437 108.800 -0.891 0.000 2.422 111 G HA2 -0.341 2.843 3.960 -1.294 0.000 0.218 111 G HA3 -0.341 3.256 3.960 -0.605 0.000 0.218 111 G C 0.927 175.617 174.900 -0.350 0.000 1.140 111 G CA 1.401 45.998 45.100 -0.839 0.000 0.775 111 G HN 0.380 8.328 8.290 -0.499 0.043 0.545 112 R N -0.404 119.976 120.500 -0.199 0.000 2.148 112 R HA -0.215 4.090 4.340 -0.057 0.000 0.223 112 R C 2.426 178.733 176.300 0.011 0.000 1.088 112 R CA 1.179 57.233 56.100 -0.077 0.000 0.985 112 R CB -1.249 29.002 30.300 -0.082 0.000 0.880 112 R HN -0.116 7.899 8.270 -0.199 0.136 0.451 113 Q N -1.018 118.778 119.800 -0.007 0.000 2.167 113 Q HA -0.214 4.170 4.340 0.074 0.000 0.202 113 Q C 2.326 178.370 176.000 0.074 0.000 0.970 113 Q CA 3.073 58.913 55.803 0.063 0.000 0.855 113 Q CB -0.174 28.633 28.738 0.115 0.000 0.911 113 Q HN -0.580 7.511 8.270 -0.062 0.142 0.438 114 V N -1.495 118.431 119.914 0.020 0.000 2.809 114 V HA -0.391 3.781 4.120 0.086 0.000 0.256 114 V C 1.228 177.368 176.094 0.077 0.000 1.080 114 V CA 3.086 65.413 62.300 0.045 0.000 1.102 114 V CB -0.646 31.157 31.823 -0.034 0.000 0.705 114 V HN -0.704 7.311 8.190 -0.085 0.123 0.475 115 Y N 1.683 121.961 120.300 -0.037 0.000 2.145 115 Y HA -0.484 4.064 4.550 -0.003 0.000 0.286 115 Y C 1.208 177.094 175.900 -0.024 0.000 1.145 115 Y CA 3.953 62.038 58.100 -0.025 0.000 1.148 115 Y CB 0.028 38.459 38.460 -0.049 0.000 0.981 115 Y HN -0.671 7.540 8.280 0.164 0.167 0.507 116 E N -1.179 119.072 120.200 0.086 0.000 2.077 116 E HA -0.478 3.776 4.350 -0.160 0.000 0.193 116 E C 1.977 178.509 176.600 -0.114 0.000 0.989 116 E CA 3.027 59.401 56.400 -0.044 0.000 0.800 116 E CB -0.201 29.535 29.700 0.061 0.000 0.746 116 E HN -0.684 7.818 8.360 0.238 0.000 0.452 117 A N -1.305 121.504 122.820 -0.020 0.000 1.969 117 A HA -0.306 4.017 4.320 0.004 0.000 0.218 117 A C 2.128 179.724 177.584 0.021 0.000 1.169 117 A CA 3.314 55.364 52.037 0.021 0.000 0.635 117 A CB -0.783 18.272 19.000 0.090 0.000 0.810 117 A HN -0.222 7.944 8.150 0.027 0.000 0.445 118 T N 2.573 117.131 114.554 0.006 0.000 2.684 118 T HA -0.325 4.126 4.350 0.168 0.000 0.267 118 T C 1.955 176.581 174.700 -0.124 0.000 1.036 118 T CA 5.246 67.360 62.100 0.024 0.000 1.148 118 T CB -0.430 68.457 68.868 0.031 0.000 0.863 118 T HN 0.023 8.043 8.240 -0.017 0.210 0.436 119 L N 0.782 121.849 121.223 -0.261 0.000 1.988 119 L HA -0.486 3.744 4.340 -0.184 0.000 0.207 119 L C 1.909 178.688 176.870 -0.152 0.000 1.071 119 L CA 3.560 58.220 54.840 -0.300 0.000 0.744 119 L CB -0.623 41.080 42.059 -0.593 0.000 0.893 119 L HN -0.574 7.436 8.230 -0.366 0.000 0.433 120 C N -1.796 117.406 119.300 -0.163 0.000 2.398 120 C HA -0.578 3.845 4.460 -0.062 0.000 0.276 120 C C 2.034 177.080 174.990 0.094 0.000 1.222 120 C CA 5.254 64.249 59.018 -0.039 0.000 1.746 120 C CB -1.173 26.531 27.740 -0.059 0.000 2.039 120 C HN -0.086 8.011 8.230 -0.222 0.000 0.470 121 A N -0.235 122.600 122.820 0.025 0.000 1.940 121 A HA -0.234 4.195 4.320 0.046 -0.081 0.219 121 A C 2.076 179.661 177.584 0.003 0.000 1.176 121 A CA 3.146 55.187 52.037 0.006 0.000 0.631 121 A CB -0.743 18.214 19.000 -0.072 0.000 0.814 121 A HN 0.533 8.559 8.150 -0.008 0.120 0.446 122 I N -2.626 117.951 120.570 0.012 0.000 2.676 122 I HA -0.394 3.776 4.170 0.001 0.000 0.259 122 I C 1.736 177.990 176.117 0.229 0.000 1.194 122 I CA 2.690 64.038 61.300 0.079 0.000 1.473 122 I CB -0.036 38.036 38.000 0.119 0.000 1.096 122 I HN -0.844 7.250 8.210 -0.015 0.107 0.443 123 F N 1.975 121.981 119.950 0.094 0.000 2.220 123 F HA -0.233 4.421 4.527 0.210 0.000 0.290 123 F C 1.154 177.005 175.800 0.085 0.000 1.080 123 F CA 3.468 61.545 58.000 0.128 0.000 1.318 123 F CB 0.851 39.885 39.000 0.057 0.000 1.063 123 F HN 0.033 8.361 8.300 0.334 0.173 0.498 124 S N -0.765 115.002 115.700 0.111 0.000 2.406 124 S HA -0.255 4.076 4.470 -0.230 0.000 0.228 124 S C 2.298 176.879 174.600 -0.032 0.000 1.020 124 S CA 3.510 61.690 58.200 -0.034 0.000 0.965 124 S CB -0.454 62.800 63.200 0.089 0.000 0.798 124 S HN 0.284 8.769 8.310 0.292 0.000 0.488 125 E N 0.781 120.995 120.200 0.023 0.000 2.107 125 E HA -0.226 4.136 4.350 0.019 0.000 0.191 125 E C 1.924 178.551 176.600 0.045 0.000 0.982 125 E CA 2.630 59.047 56.400 0.028 0.000 0.809 125 E CB -0.455 29.262 29.700 0.027 0.000 0.756 125 E HN -0.558 7.823 8.360 0.060 0.015 0.459 126 A N 1.153 124.011 122.820 0.063 0.000 1.865 126 A HA -0.277 4.150 4.320 0.179 0.000 0.217 126 A C 2.316 180.057 177.584 0.263 0.000 1.191 126 A CA 3.256 55.390 52.037 0.162 0.000 0.623 126 A CB -0.579 18.488 19.000 0.112 0.000 0.826 126 A HN -0.260 7.727 8.150 0.059 0.198 0.444 127 K N -2.241 118.222 120.400 0.105 0.000 2.057 127 K HA -0.370 4.170 4.320 0.366 0.000 0.206 127 K C 2.195 178.829 176.600 0.057 0.000 1.050 127 K CA 3.404 59.767 56.287 0.126 0.000 0.935 127 K CB -0.225 32.221 32.500 -0.090 0.000 0.715 127 K HN -0.376 7.813 8.250 -0.102 0.000 0.439 128 D N -0.633 119.773 120.400 0.009 0.000 2.117 128 D HA -0.222 4.410 4.640 -0.013 0.000 0.197 128 D C 1.989 178.284 176.300 -0.009 0.000 0.987 128 D CA 3.059 57.056 54.000 -0.004 0.000 0.829 128 D CB 0.035 40.833 40.800 -0.005 0.000 0.961 128 D HN 0.038 8.290 8.370 -0.011 0.111 0.460 129 R N -0.310 120.199 120.500 0.014 0.000 2.073 129 R HA -0.341 3.996 4.340 -0.004 0.000 0.234 129 R C 2.247 178.532 176.300 -0.026 0.000 1.134 129 R CA 3.494 59.599 56.100 0.007 0.000 0.952 129 R CB -0.236 30.090 30.300 0.044 0.000 0.850 129 R HN 0.439 8.609 8.270 0.035 0.122 0.433 130 F N 0.939 120.720 119.950 -0.282 0.000 2.186 130 F HA -0.185 4.110 4.527 -0.386 0.000 0.299 130 F C 1.774 177.417 175.800 -0.261 0.000 1.090 130 F CA 2.684 60.419 58.000 -0.441 0.000 1.307 130 F CB 0.044 38.408 39.000 -1.061 0.000 1.019 130 F HN -0.350 7.961 8.300 0.019 0.000 0.489 131 C N 1.031 120.241 119.300 -0.149 0.000 2.453 131 C HA -0.379 3.953 4.460 -0.213 0.000 0.277 131 C C 1.767 176.657 174.990 -0.167 0.000 1.262 131 C CA 3.510 62.433 59.018 -0.158 0.000 1.718 131 C CB 0.155 27.861 27.740 -0.056 0.000 2.031 131 C HN 0.362 8.393 8.230 -0.041 0.175 0.480 132 M N -1.778 117.751 119.600 -0.118 0.000 2.117 132 M HA -0.302 4.124 4.480 -0.088 0.000 0.262 132 M C 0.109 176.333 176.300 -0.127 0.000 1.065 132 M CA 3.208 58.448 55.300 -0.100 0.000 1.114 132 M CB 0.183 32.744 32.600 -0.065 0.000 1.361 132 M HN -0.077 8.037 8.290 -0.090 0.122 0.408 133 D N 0.464 120.770 120.400 -0.156 0.000 2.660 133 D HA -0.084 4.491 4.640 -0.109 0.000 0.253 133 D C -0.924 175.270 176.300 -0.177 0.000 1.256 133 D CA 1.069 54.971 54.000 -0.162 0.000 0.914 133 D CB -0.527 40.149 40.800 -0.208 0.000 1.137 133 D HN -0.708 7.569 8.370 -0.155 0.000 0.542 134 P HA -0.237 4.118 4.420 -0.108 0.000 0.217 134 P C -0.142 177.085 177.300 -0.122 0.000 1.148 134 P CA 2.029 65.064 63.100 -0.109 0.000 0.834 134 P CB 0.380 32.035 31.700 -0.076 0.000 0.783 135 A N -6.147 116.597 122.820 -0.127 0.000 2.261 135 A HA -0.040 4.223 4.320 -0.096 0.000 0.208 135 A C -0.557 176.915 177.584 -0.187 0.000 1.223 135 A CA 0.968 52.933 52.037 -0.120 0.000 0.833 135 A CB -0.568 18.381 19.000 -0.085 0.000 0.830 135 A HN -0.158 7.886 8.150 -0.120 0.034 0.483 136 T N -5.719 108.671 114.554 -0.274 0.000 4.076 136 T HA 0.207 4.352 4.350 -0.341 0.000 0.222 136 T C -0.820 173.649 174.700 -0.385 0.000 1.008 136 T CA -0.633 61.202 62.100 -0.442 0.000 1.486 136 T CB 0.593 68.908 68.868 -0.922 0.000 0.828 136 T HN -0.077 7.799 8.240 -0.241 0.220 0.625 137 R N 2.628 122.994 120.500 -0.223 0.000 2.039 137 R HA 0.085 4.320 4.340 -0.176 0.000 0.218 137 R C 0.987 177.217 176.300 -0.117 0.000 1.220 137 R CA 1.847 57.851 56.100 -0.159 0.000 0.993 137 R CB 0.357 30.591 30.300 -0.109 0.000 0.881 137 R HN -0.451 7.710 8.270 -0.181 0.000 0.450 138 A N -1.194 121.574 122.820 -0.086 0.000 2.404 138 A HA 0.027 4.323 4.320 -0.040 0.000 0.258 138 A C 0.367 177.929 177.584 -0.038 0.000 1.644 138 A CA -0.234 51.773 52.037 -0.050 0.000 0.847 138 A CB 0.445 19.423 19.000 -0.037 0.000 1.473 138 A HN -0.329 7.768 8.150 -0.088 0.000 0.602 139 G N -2.358 106.436 108.800 -0.010 0.000 2.686 139 G HA2 -0.243 3.739 3.960 0.036 0.000 0.280 139 G HA3 -0.243 3.729 3.960 0.020 0.000 0.280 139 G C -0.424 174.490 174.900 0.023 0.000 0.666 139 G CA 0.321 45.432 45.100 0.018 0.000 2.114 139 G HN 0.479 8.763 8.290 -0.011 0.000 0.553 140 N N 0.892 119.603 118.700 0.019 0.000 2.279 140 N HA -0.091 4.665 4.740 0.027 0.000 0.226 140 N C -0.485 175.175 175.510 0.251 0.000 1.126 140 N CA -0.803 52.264 53.050 0.029 0.000 0.846 140 N CB 0.746 39.118 38.487 -0.192 0.000 1.050 140 N HN 0.151 8.494 8.380 0.002 0.038 0.502 141 V N -5.719 114.345 119.914 0.251 0.000 4.527 141 V HA -0.445 3.802 4.120 0.211 0.000 0.259 141 V C 0.116 176.523 176.094 0.522 0.000 0.404 141 V CA 1.122 63.621 62.300 0.332 0.000 0.864 141 V CB -2.749 29.243 31.823 0.282 0.000 0.866 141 V HN -0.170 8.031 8.190 0.161 0.085 1.361 142 R N 0.534 121.326 120.500 0.487 0.000 2.083 142 R HA -0.265 4.505 4.340 0.716 0.000 0.237 142 R C -0.860 175.649 176.300 0.349 0.000 1.137 142 R CA 5.665 62.056 56.100 0.484 0.000 0.951 142 R CB -1.550 28.914 30.300 0.274 0.000 0.851 142 R HN 0.353 8.790 8.270 0.335 0.034 0.434 143 P HA -0.238 4.273 4.420 0.151 0.000 0.215 143 P C 1.109 178.526 177.300 0.195 0.000 1.163 143 P CA 3.215 66.422 63.100 0.179 0.000 0.894 143 P CB -0.758 31.023 31.700 0.135 0.000 0.791 144 A N -3.658 119.315 122.820 0.254 0.000 1.929 144 A HA -0.163 4.271 4.320 0.191 0.000 0.216 144 A C 1.999 179.756 177.584 0.287 0.000 1.176 144 A CA 2.395 54.605 52.037 0.289 0.000 0.628 144 A CB -0.548 18.650 19.000 0.330 0.000 0.816 144 A HN -0.510 7.800 8.150 0.266 0.000 0.444 145 F N 0.271 120.300 119.950 0.131 0.000 2.126 145 F HA -0.400 3.558 4.527 -0.947 0.000 0.299 145 F C 1.598 177.261 175.800 -0.228 0.000 1.096 145 F CA 3.849 61.616 58.000 -0.389 0.000 1.255 145 F CB 0.376 39.060 39.000 -0.527 0.000 0.997 145 F HN -0.409 8.121 8.300 0.523 0.084 0.479 146 I N -1.006 119.598 120.570 0.057 0.000 2.202 146 I HA -0.612 3.506 4.170 -0.087 0.000 0.242 146 I C 1.453 177.562 176.117 -0.015 0.000 1.091 146 I CA 4.128 65.427 61.300 -0.002 0.000 1.368 146 I CB -0.247 37.808 38.000 0.092 0.000 1.058 146 I HN 0.487 8.831 8.210 0.223 0.000 0.410 147 E N 0.130 120.348 120.200 0.030 0.000 2.106 147 E HA -0.490 3.918 4.350 0.097 0.000 0.192 147 E C 2.104 178.714 176.600 0.016 0.000 0.984 147 E CA 3.174 59.609 56.400 0.058 0.000 0.806 147 E CB -0.063 29.682 29.700 0.075 0.000 0.750 147 E HN -0.569 7.828 8.360 0.062 0.000 0.458 148 A N 0.447 123.215 122.820 -0.086 0.000 1.865 148 A HA -0.349 3.937 4.320 -0.056 0.000 0.217 148 A C 1.961 179.470 177.584 -0.125 0.000 1.191 148 A CA 3.496 55.445 52.037 -0.147 0.000 0.623 148 A CB -0.658 18.134 19.000 -0.347 0.000 0.826 148 A HN 0.168 8.240 8.150 -0.112 0.011 0.444 149 L N -2.656 118.446 121.223 -0.202 0.000 2.042 149 L HA -0.476 3.865 4.340 0.002 0.000 0.210 149 L C 2.507 179.591 176.870 0.356 0.000 1.076 149 L CA 2.689 57.563 54.840 0.057 0.000 0.749 149 L CB -0.584 41.485 42.059 0.018 0.000 0.893 149 L HN -0.425 7.573 8.230 -0.387 0.000 0.432 150 G N -2.277 106.709 108.800 0.310 0.000 2.422 150 G HA2 -0.462 3.795 3.960 0.494 0.000 0.218 150 G HA3 -0.462 3.708 3.960 0.350 0.000 0.218 150 G C 0.909 175.968 174.900 0.264 0.000 1.146 150 G CA 1.907 47.236 45.100 0.382 0.000 0.769 150 G HN -0.215 8.118 8.290 0.198 0.076 0.547 151 D N 1.897 122.383 120.400 0.144 0.000 2.117 151 D HA -0.212 4.442 4.640 0.024 0.000 0.198 151 D C 1.847 178.194 176.300 0.078 0.000 0.982 151 D CA 3.123 57.161 54.000 0.064 0.000 0.828 151 D CB 0.105 40.925 40.800 0.034 0.000 0.967 151 D HN -0.090 8.252 8.370 0.119 0.100 0.464 152 A N -1.014 121.890 122.820 0.139 0.000 1.930 152 A HA -0.182 4.215 4.320 0.129 0.000 0.217 152 A C 1.929 179.719 177.584 0.344 0.000 1.175 152 A CA 2.921 55.088 52.037 0.217 0.000 0.627 152 A CB -0.497 18.590 19.000 0.146 0.000 0.815 152 A HN 0.353 8.470 8.150 0.125 0.107 0.443 153 A N -3.514 119.519 122.820 0.356 0.000 2.168 153 A HA -0.132 4.050 4.320 -0.231 0.000 0.215 153 A C 0.865 178.455 177.584 0.010 0.000 1.152 153 A CA 1.978 54.030 52.037 0.026 0.000 0.716 153 A CB -0.417 18.528 19.000 -0.091 0.000 0.794 153 A HN 0.340 8.634 8.150 0.422 0.108 0.465 154 R N -1.508 118.975 120.500 -0.027 0.000 2.062 154 R HA -0.324 3.723 4.340 -0.490 0.000 0.229 154 R C 1.719 177.932 176.300 -0.145 0.000 1.128 154 R CA 2.855 58.802 56.100 -0.256 0.000 0.960 154 R CB -0.409 29.711 30.300 -0.300 0.000 0.855 154 R HN -0.727 7.387 8.270 0.054 0.188 0.432 155 A N -3.400 119.388 122.820 -0.053 0.000 1.933 155 A HA -0.198 4.093 4.320 -0.049 0.000 0.218 155 A C 1.709 179.290 177.584 -0.005 0.000 1.175 155 A CA 2.562 54.585 52.037 -0.025 0.000 0.628 155 A CB -0.704 18.303 19.000 0.012 0.000 0.814 155 A HN -0.603 7.536 8.150 -0.018 0.000 0.444 156 T N -4.656 109.908 114.554 0.016 0.000 2.720 156 T HA -0.365 4.023 4.350 0.064 0.000 0.268 156 T C 1.063 175.775 174.700 0.020 0.000 1.037 156 T CA 2.368 64.485 62.100 0.029 0.000 1.144 156 T CB 0.582 69.427 68.868 -0.038 0.000 0.864 156 T HN -0.657 7.591 8.240 0.031 0.011 0.444 157 G N 0.428 109.217 108.800 -0.018 0.000 2.135 157 G HA2 -0.312 3.619 3.960 -0.048 0.000 0.183 157 G HA3 -0.312 3.645 3.960 -0.005 0.000 0.183 157 G C -0.462 174.452 174.900 0.024 0.000 1.004 157 G CA -0.269 44.823 45.100 -0.013 0.000 0.677 157 G HN -0.717 7.454 8.290 -0.046 0.092 0.512 158 L N 1.624 122.855 121.223 0.014 0.000 2.513 158 L HA 0.046 4.392 4.340 0.010 0.000 0.272 158 L C -1.813 175.107 176.870 0.083 0.000 1.187 158 L CA -1.103 53.736 54.840 -0.000 0.000 0.895 158 L CB 0.711 42.679 42.059 -0.152 0.000 1.147 158 L HN -0.811 7.406 8.230 -0.022 0.000 0.483 159 P HA -0.043 4.426 4.420 0.082 0.000 0.265 159 P C -0.773 176.544 177.300 0.028 0.000 1.187 159 P CA 0.280 63.411 63.100 0.051 0.000 0.766 159 P CB 0.601 32.306 31.700 0.010 0.000 0.820 160 G N -0.587 108.263 108.800 0.084 0.000 2.356 160 G HA2 0.155 4.020 3.960 -0.157 0.000 0.281 160 G HA3 0.155 3.878 3.960 -0.395 0.000 0.281 160 G C -2.913 172.052 174.900 0.108 0.000 1.246 160 G CA 0.140 45.192 45.100 -0.080 0.000 0.889 160 G HN -0.215 8.153 8.290 0.129 0.000 0.486 161 A N -2.381 120.459 122.820 0.032 0.000 2.589 161 A HA 0.184 4.677 4.320 0.288 0.000 0.296 161 A C -3.119 174.614 177.584 0.248 0.000 1.062 161 A CA -0.190 51.959 52.037 0.187 0.000 0.686 161 A CB 2.506 21.541 19.000 0.059 0.000 1.282 161 A HN -0.149 7.772 8.150 -0.381 0.000 0.404 162 D N 1.581 122.160 120.400 0.298 0.000 2.359 162 D HA 0.180 5.180 4.640 0.369 -0.138 0.230 162 D C -0.440 175.939 176.300 0.132 0.000 1.118 162 D CA -0.461 53.701 54.000 0.270 0.000 0.844 162 D CB 0.846 41.765 40.800 0.198 0.000 1.059 162 D HN 0.047 8.555 8.370 0.231 0.000 0.493 163 K N 6.462 126.924 120.400 0.102 0.000 2.240 163 K HA 0.290 4.643 4.320 0.056 0.000 0.271 163 K C 0.028 176.666 176.600 0.063 0.000 1.018 163 K CA -1.229 55.096 56.287 0.063 0.000 0.874 163 K CB 1.245 33.770 32.500 0.040 0.000 1.098 163 K HN 0.147 8.465 8.250 0.115 0.000 0.458 164 Q N 3.113 122.944 119.800 0.051 0.000 2.026 164 Q HA -0.412 3.951 4.340 0.039 0.000 0.307 164 Q C 0.156 176.188 176.000 0.053 0.000 2.333 164 Q CA 2.256 58.087 55.803 0.046 0.000 0.744 164 Q CB -0.810 27.953 28.738 0.042 0.000 1.401 164 Q HN 0.856 9.154 8.270 0.047 0.000 0.684 165 G N -1.884 106.953 108.800 0.062 0.000 4.908 165 G HA2 0.329 4.328 3.960 0.065 0.000 0.267 165 G HA3 0.329 4.323 3.960 0.057 0.000 0.267 165 G C -1.710 173.243 174.900 0.088 0.000 0.958 165 G CA 0.001 45.141 45.100 0.067 0.000 0.743 165 G HN 0.168 8.485 8.290 0.062 0.010 0.410 166 V N -2.965 117.014 119.914 0.107 0.000 2.808 166 V HA 0.450 4.659 4.120 0.147 0.000 0.308 166 V C -2.617 173.593 176.094 0.193 0.000 1.099 166 V CA -1.584 60.797 62.300 0.137 0.000 0.920 166 V CB 3.142 35.027 31.823 0.103 0.000 1.014 166 V HN -0.301 7.881 8.190 0.100 0.068 0.425 167 F N 7.282 127.266 119.950 0.056 0.000 2.408 167 F HA 0.578 5.263 4.527 0.023 -0.144 0.344 167 F C -0.802 175.038 175.800 0.066 0.000 1.112 167 F CA -1.197 56.826 58.000 0.038 0.000 1.096 167 F CB 1.757 40.767 39.000 0.016 0.000 1.129 167 F HN 0.378 8.865 8.300 0.312 0.000 0.486 168 T N 8.789 122.890 114.554 -0.755 0.000 3.032 168 T HA 0.497 4.602 4.350 -0.407 0.000 0.312 168 T C -1.408 172.860 174.700 -0.720 0.000 1.078 168 T CA -1.829 59.949 62.100 -0.538 0.000 1.028 168 T CB 2.128 70.917 68.868 -0.131 0.000 1.091 168 T HN 0.055 7.795 8.240 -0.832 0.000 0.457 169 P HA 0.134 4.374 4.420 -0.478 -0.106 0.212 169 P C 0.028 177.191 177.300 -0.228 0.000 1.179 169 P CA 0.807 63.630 63.100 -0.461 0.000 0.898 169 P CB 0.688 32.105 31.700 -0.472 0.000 0.775 170 S N -4.193 111.426 115.700 -0.136 0.000 2.683 170 S HA -0.004 4.435 4.470 -0.052 0.000 0.269 170 S C -1.222 173.391 174.600 0.022 0.000 1.165 170 S CA -0.601 57.570 58.200 -0.049 0.000 0.840 170 S CB 1.135 64.310 63.200 -0.042 0.000 1.169 170 S HN -0.698 7.532 8.310 -0.133 0.000 0.490 171 G N -0.063 108.752 108.800 0.024 0.000 2.448 171 G HA2 0.077 4.074 3.960 0.061 0.000 0.309 171 G HA3 0.077 4.055 3.960 0.030 0.000 0.309 171 G C -0.530 174.401 174.900 0.051 0.000 1.027 171 G CA -0.483 44.643 45.100 0.043 0.000 1.104 171 G HN -0.067 8.228 8.290 0.009 0.000 0.428 172 A N 4.634 127.502 122.820 0.080 0.000 2.379 172 A HA -0.279 4.101 4.320 0.100 0.000 0.665 172 A C -0.234 177.389 177.584 0.065 0.000 0.178 172 A CA 0.210 52.293 52.037 0.077 0.000 0.125 172 A CB -0.168 18.863 19.000 0.052 0.000 3.856 172 A HN -0.277 7.940 8.150 0.111 0.000 0.531 173 G N 0.339 109.183 108.800 0.073 0.000 2.844 173 G HA2 -0.281 3.697 3.960 0.029 0.000 0.211 173 G HA3 -0.281 3.710 3.960 0.051 0.000 0.211 173 G C -0.268 174.666 174.900 0.056 0.000 1.368 173 G CA 2.430 47.561 45.100 0.051 0.000 0.815 173 G HN 0.769 9.118 8.290 0.098 0.000 0.649 174 T N -1.218 113.381 114.554 0.074 0.000 3.918 174 T HA -0.112 4.277 4.350 0.066 0.000 0.319 174 T C -1.428 173.336 174.700 0.107 0.000 0.905 174 T CA 0.823 62.971 62.100 0.080 0.000 1.206 174 T CB 0.173 69.088 68.868 0.079 0.000 1.044 174 T HN -0.046 8.244 8.240 0.083 0.000 0.499 175 N N 0.841 119.635 118.700 0.158 0.000 2.726 175 N HA -0.140 4.844 4.740 0.406 0.000 0.253 175 N C -1.475 174.151 175.510 0.193 0.000 1.059 175 N CA 0.270 53.468 53.050 0.246 0.000 0.701 175 N CB -1.408 37.192 38.487 0.187 0.000 0.899 175 N HN 0.219 8.695 8.380 0.160 0.000 0.548 176 P HA 0.087 4.553 4.420 0.077 0.000 0.235 176 P C -0.895 176.429 177.300 0.040 0.000 1.177 176 P CA 1.046 64.195 63.100 0.083 0.000 0.785 176 P CB 0.569 32.312 31.700 0.071 0.000 0.885 177 L N -4.128 117.083 121.223 -0.019 0.000 2.296 177 L HA 0.115 4.396 4.340 -0.098 0.000 0.193 177 L C 1.400 178.174 176.870 -0.159 0.000 1.123 177 L CA 1.894 56.622 54.840 -0.187 0.000 0.805 177 L CB -0.423 41.353 42.059 -0.471 0.000 1.004 177 L HN -0.629 7.578 8.230 0.035 0.043 0.478 178 Y N -3.339 117.001 120.300 0.066 0.000 2.315 178 Y HA -0.373 4.223 4.550 0.077 0.000 0.288 178 Y C 2.483 178.428 175.900 0.074 0.000 1.154 178 Y CA 3.052 61.195 58.100 0.073 0.000 1.229 178 Y CB -1.195 37.309 38.460 0.074 0.000 0.980 178 Y HN -0.005 7.904 8.280 -0.618 0.000 0.540 179 T N 0.989 115.676 114.554 0.221 0.000 2.867 179 T HA -0.397 4.043 4.350 0.150 0.000 0.268 179 T C 1.879 176.640 174.700 0.102 0.000 1.057 179 T CA 4.238 66.426 62.100 0.146 0.000 1.136 179 T CB -0.501 68.438 68.868 0.119 0.000 0.874 179 T HN -0.257 8.091 8.240 0.232 0.031 0.466 180 E N 1.246 121.492 120.200 0.078 0.000 2.072 180 E HA -0.274 4.109 4.350 0.055 0.000 0.191 180 E C 2.290 178.933 176.600 0.072 0.000 0.985 180 E CA 3.026 59.461 56.400 0.058 0.000 0.801 180 E CB -0.074 29.647 29.700 0.034 0.000 0.750 180 E HN -0.323 7.941 8.360 0.069 0.137 0.452 181 I N -3.908 116.714 120.570 0.086 0.000 2.617 181 I HA -0.206 4.023 4.170 0.097 0.000 0.256 181 I C 0.966 177.163 176.117 0.133 0.000 1.167 181 I CA 2.371 63.736 61.300 0.108 0.000 1.469 181 I CB -0.333 37.737 38.000 0.116 0.000 1.098 181 I HN -0.700 7.557 8.210 0.080 0.000 0.436 182 R N 0.621 121.204 120.500 0.138 0.000 2.092 182 R HA -0.312 4.126 4.340 0.163 0.000 0.231 182 R C 2.139 178.498 176.300 0.099 0.000 1.119 182 R CA 3.744 59.926 56.100 0.136 0.000 0.970 182 R CB -0.100 30.279 30.300 0.132 0.000 0.864 182 R HN -0.420 7.806 8.270 0.137 0.126 0.440 183 L N -1.613 119.660 121.223 0.082 0.000 2.056 183 L HA -0.266 4.103 4.340 0.049 0.000 0.207 183 L C 2.049 178.958 176.870 0.065 0.000 1.078 183 L CA 3.102 57.978 54.840 0.061 0.000 0.749 183 L CB -0.445 41.645 42.059 0.052 0.000 0.901 183 L HN -0.319 7.854 8.230 0.086 0.108 0.433 184 R N -0.779 119.769 120.500 0.080 0.000 2.070 184 R HA -0.331 4.053 4.340 0.074 0.000 0.233 184 R C 2.271 178.636 176.300 0.108 0.000 1.137 184 R CA 2.823 58.976 56.100 0.088 0.000 0.945 184 R CB -0.473 29.885 30.300 0.095 0.000 0.845 184 R HN -0.705 7.616 8.270 0.084 0.000 0.430 185 A N -2.366 120.535 122.820 0.134 0.000 1.930 185 A HA -0.277 4.157 4.320 0.191 0.000 0.217 185 A C 1.482 179.125 177.584 0.098 0.000 1.175 185 A CA 3.137 55.270 52.037 0.160 0.000 0.627 185 A CB -0.617 18.510 19.000 0.212 0.000 0.815 185 A HN -0.226 8.007 8.150 0.138 0.000 0.443 186 D N -1.834 118.610 120.400 0.075 0.000 2.123 186 D HA -0.279 4.363 4.640 0.002 0.000 0.196 186 D C 1.814 178.118 176.300 0.005 0.000 0.992 186 D CA 3.240 57.253 54.000 0.023 0.000 0.833 186 D CB -0.251 40.556 40.800 0.013 0.000 0.954 186 D HN 0.047 8.366 8.370 0.089 0.105 0.455 187 T N -0.011 114.557 114.554 0.023 0.000 2.995 187 T HA -0.219 4.131 4.350 0.000 0.000 0.269 187 T C 1.305 176.010 174.700 0.009 0.000 1.091 187 T CA 2.967 65.075 62.100 0.014 0.000 1.128 187 T CB 0.069 68.952 68.868 0.026 0.000 0.891 187 T HN -0.486 7.778 8.240 0.040 0.000 0.492 188 L N -0.657 120.578 121.223 0.021 0.000 2.130 188 L HA -0.130 4.219 4.340 0.014 0.000 0.200 188 L C 1.152 177.953 176.870 -0.114 0.000 1.075 188 L CA 1.952 56.792 54.840 0.001 0.000 0.768 188 L CB 0.212 42.332 42.059 0.102 0.000 0.933 188 L HN -0.792 7.296 8.230 0.042 0.168 0.451 189 M N -1.998 117.522 119.600 -0.133 0.000 2.294 189 M HA -0.108 4.172 4.480 -0.334 0.000 0.257 189 M C 1.494 177.723 176.300 -0.118 0.000 1.151 189 M CA 1.510 56.694 55.300 -0.193 0.000 1.088 189 M CB -0.296 32.239 32.600 -0.108 0.000 1.168 189 M HN 0.124 8.270 8.290 -0.056 0.110 0.463 190 G N -0.275 108.474 108.800 -0.085 0.000 2.360 190 G HA2 -0.347 3.556 3.960 -0.094 0.000 0.302 190 G HA3 -0.347 3.572 3.960 -0.068 0.000 0.302 190 G C -0.793 174.063 174.900 -0.074 0.000 0.985 190 G CA 0.501 45.553 45.100 -0.080 0.000 0.767 190 G HN 0.246 8.492 8.290 -0.073 0.000 0.513 191 A N -1.416 121.354 122.820 -0.083 0.000 2.378 191 A HA 0.233 4.516 4.320 -0.062 0.000 0.293 191 A C 0.039 177.589 177.584 -0.056 0.000 1.250 191 A CA -1.345 50.648 52.037 -0.073 0.000 0.915 191 A CB 1.196 20.139 19.000 -0.095 0.000 1.402 191 A HN -0.581 7.413 8.150 -0.099 0.096 0.502 192 E N -0.320 119.851 120.200 -0.047 0.000 2.110 192 E HA -0.362 3.969 4.350 -0.032 0.000 0.193 192 E C 1.400 177.983 176.600 -0.028 0.000 0.988 192 E CA 2.963 59.343 56.400 -0.034 0.000 0.804 192 E CB -0.193 29.489 29.700 -0.028 0.000 0.745 192 E HN 0.504 8.835 8.360 -0.048 0.000 0.458 193 L N -5.737 115.464 121.223 -0.037 0.000 2.083 193 L HA -0.084 4.243 4.340 -0.021 0.000 0.209 193 L C 0.467 177.341 176.870 0.007 0.000 1.083 193 L CA 2.202 57.026 54.840 -0.027 0.000 0.752 193 L CB -0.476 41.551 42.059 -0.053 0.000 0.899 193 L HN -0.257 7.929 8.230 -0.051 0.013 0.433 194 A N -3.045 119.781 122.820 0.009 0.000 2.167 194 A HA -0.148 4.310 4.320 0.230 0.000 0.214 194 A C 0.831 178.430 177.584 0.025 0.000 1.151 194 A CA 1.035 53.116 52.037 0.074 0.000 0.735 194 A CB -0.055 18.943 19.000 -0.002 0.000 0.802 194 A HN -0.544 7.464 8.150 -0.028 0.126 0.467 195 A N -1.077 121.740 122.820 -0.006 0.000 1.841 195 A HA -0.144 4.154 4.320 -0.037 0.000 0.214 195 A C 0.646 178.232 177.584 0.004 0.000 1.195 195 A CA 1.323 53.350 52.037 -0.017 0.000 0.611 195 A CB 0.094 19.080 19.000 -0.023 0.000 0.835 195 A HN -0.492 7.448 8.150 -0.012 0.203 0.443 196 R N -2.358 118.149 120.500 0.011 0.000 2.598 196 R HA -0.199 4.144 4.340 0.004 0.000 0.266 196 R C -0.828 175.493 176.300 0.035 0.000 0.977 196 R CA -0.202 55.907 56.100 0.015 0.000 1.097 196 R CB -0.763 29.543 30.300 0.009 0.000 0.911 196 R HN -0.848 7.426 8.270 0.005 0.000 0.419 197 P HA 0.014 4.461 4.420 0.045 0.000 0.244 197 P C 0.575 177.904 177.300 0.050 0.000 1.211 197 P CA 0.806 63.928 63.100 0.037 0.000 0.760 197 P CB -0.016 31.694 31.700 0.016 0.000 0.961 198 E N 1.650 121.874 120.200 0.041 0.000 2.204 198 E HA -0.310 4.039 4.350 -0.002 0.000 0.195 198 E C 1.064 177.670 176.600 0.010 0.000 0.990 198 E CA 2.593 58.998 56.400 0.009 0.000 0.821 198 E CB -1.004 28.683 29.700 -0.022 0.000 0.750 198 E HN 0.228 8.480 8.360 0.037 0.130 0.477 199 Y N -1.565 118.715 120.300 -0.033 0.000 2.465 199 Y HA -0.335 4.193 4.550 -0.037 0.000 0.289 199 Y C 0.543 176.437 175.900 -0.009 0.000 1.150 199 Y CA 2.821 60.904 58.100 -0.027 0.000 1.293 199 Y CB 0.051 38.495 38.460 -0.026 0.000 0.977 199 Y HN -0.841 7.526 8.280 0.195 0.029 0.556 200 R N -2.419 118.162 120.500 0.135 0.000 2.096 200 R HA -0.338 4.079 4.340 0.129 0.000 0.229 200 R C 1.432 177.764 176.300 0.054 0.000 1.134 200 R CA 2.360 58.518 56.100 0.096 0.000 0.917 200 R CB -0.370 29.967 30.300 0.061 0.000 0.832 200 R HN -0.447 7.713 8.270 0.115 0.179 0.430 201 E N -2.529 117.683 120.200 0.019 0.000 2.130 201 E HA -0.189 4.177 4.350 0.026 0.000 0.196 201 E C 1.844 178.439 176.600 -0.008 0.000 0.998 201 E CA 1.794 58.199 56.400 0.008 0.000 0.806 201 E CB -0.327 29.370 29.700 -0.004 0.000 0.738 201 E HN -0.026 8.343 8.360 0.016 0.000 0.459 202 L N -2.115 119.059 121.223 -0.082 0.000 3.499 202 L HA -0.158 4.133 4.340 -0.081 0.000 0.265 202 L C -0.141 176.702 176.870 -0.045 0.000 1.324 202 L CA 0.578 55.328 54.840 -0.151 0.000 1.067 202 L CB -2.607 39.179 42.059 -0.455 0.000 1.487 202 L HN -0.606 7.551 8.230 -0.097 0.015 0.415 203 Q N 0.273 120.097 119.800 0.040 0.000 2.200 203 Q HA 0.093 4.496 4.340 0.106 0.000 0.197 203 Q C -0.334 175.721 176.000 0.092 0.000 0.953 203 Q CA 3.408 59.259 55.803 0.081 0.000 0.851 203 Q CB -0.083 28.698 28.738 0.072 0.000 0.938 203 Q HN 0.337 8.474 8.270 0.035 0.155 0.488 204 P HA 0.123 4.580 4.420 0.061 0.000 0.257 204 P C -0.303 177.061 177.300 0.107 0.000 1.281 204 P CA 0.416 63.563 63.100 0.079 0.000 0.826 204 P CB -0.360 31.373 31.700 0.055 0.000 1.237 205 Y N 1.575 121.887 120.300 0.019 0.000 2.060 205 Y HA -0.473 4.097 4.550 0.033 0.000 0.276 205 Y C 0.880 176.817 175.900 0.062 0.000 1.127 205 Y CA 4.014 62.132 58.100 0.029 0.000 1.104 205 Y CB -0.120 38.339 38.460 -0.001 0.000 0.983 205 Y HN -0.146 8.197 8.280 0.235 0.078 0.483 206 A N -2.436 120.500 122.820 0.193 0.000 1.845 206 A HA -0.435 3.899 4.320 0.024 0.000 0.215 206 A C 1.897 179.546 177.584 0.109 0.000 1.195 206 A CA 2.804 54.920 52.037 0.131 0.000 0.616 206 A CB -0.520 18.632 19.000 0.253 0.000 0.832 206 A HN 0.253 8.615 8.150 0.354 0.000 0.443 207 R N -2.314 118.276 120.500 0.149 0.000 2.168 207 R HA -0.531 3.980 4.340 0.284 0.000 0.242 207 R C 2.074 178.437 176.300 0.106 0.000 1.123 207 R CA 3.434 59.622 56.100 0.147 0.000 0.928 207 R CB -0.663 29.660 30.300 0.038 0.000 0.873 207 R HN 0.116 8.476 8.270 0.150 0.000 0.434 208 Q N -1.897 117.925 119.800 0.037 0.000 2.182 208 Q HA -0.401 3.952 4.340 0.022 0.000 0.213 208 Q C 2.255 178.248 176.000 -0.011 0.000 1.000 208 Q CA 3.053 58.857 55.803 0.002 0.000 0.889 208 Q CB -0.382 28.332 28.738 -0.041 0.000 0.932 208 Q HN -0.328 7.858 8.270 0.034 0.104 0.415 209 Q N -2.071 117.704 119.800 -0.042 0.000 1.911 209 Q HA -0.167 4.140 4.340 -0.055 0.000 0.202 209 Q C 2.631 178.640 176.000 0.015 0.000 0.976 209 Q CA 1.787 57.564 55.803 -0.044 0.000 0.845 209 Q CB -0.382 28.299 28.738 -0.095 0.000 0.903 209 Q HN -0.089 8.018 8.270 -0.063 0.124 0.437 210 A N 0.428 123.282 122.820 0.057 0.000 1.944 210 A HA -0.375 3.918 4.320 -0.044 0.000 0.222 210 A C 2.076 179.702 177.584 0.071 0.000 1.237 210 A CA 3.154 55.213 52.037 0.037 0.000 0.668 210 A CB -0.787 18.267 19.000 0.090 0.000 0.830 210 A HN -0.088 8.101 8.150 0.065 0.000 0.471 211 I N -6.355 114.339 120.570 0.206 0.000 2.454 211 I HA -0.327 3.967 4.170 0.208 0.000 0.254 211 I C 1.377 177.540 176.117 0.077 0.000 1.156 211 I CA 2.292 63.697 61.300 0.175 0.000 1.433 211 I CB -0.535 37.565 38.000 0.167 0.000 1.082 211 I HN 0.301 8.544 8.210 0.254 0.119 0.432 212 D N -0.190 120.236 120.400 0.042 0.000 2.123 212 D HA -0.310 4.342 4.640 0.020 0.000 0.196 212 D C 2.180 178.476 176.300 -0.006 0.000 0.992 212 D CA 3.121 57.128 54.000 0.012 0.000 0.833 212 D CB -0.032 40.762 40.800 -0.010 0.000 0.954 212 D HN 0.392 8.612 8.370 0.046 0.177 0.455 213 L N -0.147 121.062 121.223 -0.024 0.000 1.970 213 L HA -0.327 3.979 4.340 -0.057 0.000 0.212 213 L C 2.074 178.921 176.870 -0.040 0.000 1.071 213 L CA 3.008 57.819 54.840 -0.048 0.000 0.751 213 L CB 0.100 42.116 42.059 -0.070 0.000 0.889 213 L HN -0.786 7.338 8.230 -0.020 0.093 0.432 214 V N -1.583 118.316 119.914 -0.025 0.000 2.439 214 V HA -0.621 3.458 4.120 -0.068 0.000 0.253 214 V C 2.145 178.243 176.094 0.008 0.000 1.074 214 V CA 4.029 66.320 62.300 -0.016 0.000 1.076 214 V CB -0.572 31.274 31.823 0.040 0.000 0.664 214 V HN -0.660 7.518 8.190 -0.019 0.000 0.461 215 A N -2.389 120.445 122.820 0.023 0.000 2.067 215 A HA -0.189 4.161 4.320 0.049 0.000 0.219 215 A C 1.520 179.099 177.584 -0.008 0.000 1.158 215 A CA 2.286 54.338 52.037 0.025 0.000 0.661 215 A CB -0.495 18.523 19.000 0.030 0.000 0.801 215 A HN -0.190 7.833 8.150 0.023 0.140 0.452 216 N N -1.338 117.346 118.700 -0.026 0.000 2.120 216 N HA -0.325 4.397 4.740 -0.030 0.000 0.188 216 N C 1.164 176.647 175.510 -0.046 0.000 1.024 216 N CA 2.733 55.761 53.050 -0.037 0.000 0.852 216 N CB -0.646 37.812 38.487 -0.047 0.000 1.003 216 N HN 0.537 8.700 8.380 -0.027 0.201 0.424 217 A N -1.423 121.360 122.820 -0.062 0.000 2.121 217 A HA -0.088 4.189 4.320 -0.071 0.000 0.218 217 A C -0.619 176.924 177.584 -0.069 0.000 1.154 217 A CA 1.399 53.389 52.037 -0.079 0.000 0.679 217 A CB 0.212 19.137 19.000 -0.126 0.000 0.795 217 A HN -0.441 7.669 8.150 -0.066 0.000 0.458 218 L N -10.115 111.075 121.223 -0.055 0.000 2.338 218 L HA 0.436 4.741 4.340 -0.059 0.000 0.264 218 L C -2.940 173.910 176.870 -0.034 0.000 1.502 218 L CA -2.063 52.742 54.840 -0.059 0.000 0.751 218 L CB -1.156 40.842 42.059 -0.101 0.000 0.926 218 L HN -0.686 7.332 8.230 -0.042 0.186 0.528 219 P HA 0.029 4.441 4.420 0.004 0.010 0.255 219 P C -1.042 176.252 177.300 -0.010 0.000 1.301 219 P CA 0.767 63.862 63.100 -0.009 0.000 0.817 219 P CB -0.389 31.305 31.700 -0.010 0.000 1.259 220 A N 0.454 123.260 122.820 -0.022 0.000 2.383 220 A HA -0.099 4.212 4.320 -0.015 0.000 0.225 220 A C 1.611 179.182 177.584 -0.022 0.000 1.946 220 A CA 1.341 53.365 52.037 -0.022 0.000 0.739 220 A CB 0.260 19.241 19.000 -0.031 0.000 1.405 220 A HN -0.203 7.813 8.150 -0.033 0.115 0.548 221 E N -0.839 119.336 120.200 -0.042 0.000 2.012 221 E HA -0.159 4.176 4.350 -0.026 0.000 0.192 221 E C 2.483 179.057 176.600 -0.044 0.000 0.977 221 E CA 2.414 58.787 56.400 -0.045 0.000 0.832 221 E CB -0.832 28.826 29.700 -0.070 0.000 0.790 221 E HN 0.151 8.479 8.360 -0.054 0.000 0.466 222 R N -1.798 118.630 120.500 -0.119 0.000 2.198 222 R HA -0.296 3.932 4.340 -0.186 0.000 0.258 222 R C 2.537 178.893 176.300 0.093 0.000 1.173 222 R CA 2.946 58.948 56.100 -0.164 0.000 0.991 222 R CB -0.955 29.053 30.300 -0.487 0.000 0.879 222 R HN 0.327 8.501 8.270 -0.159 0.000 0.460 223 S N -0.230 115.501 115.700 0.053 0.000 2.348 223 S HA -0.326 4.219 4.470 0.123 0.000 0.221 223 S C 1.593 176.244 174.600 0.085 0.000 1.033 223 S CA 3.821 62.071 58.200 0.083 0.000 1.010 223 S CB -0.794 62.428 63.200 0.038 0.000 0.891 223 S HN -0.202 8.062 8.310 -0.001 0.045 0.442 224 N N 2.027 120.760 118.700 0.055 0.000 2.149 224 N HA -0.333 4.435 4.740 0.047 0.000 0.188 224 N C 2.299 177.857 175.510 0.080 0.000 1.019 224 N CA 3.082 56.163 53.050 0.052 0.000 0.857 224 N CB -0.173 38.332 38.487 0.029 0.000 0.997 224 N HN 0.281 8.597 8.380 0.033 0.084 0.426 225 T N 2.895 117.513 114.554 0.106 0.000 2.777 225 T HA -0.312 4.109 4.350 0.118 0.000 0.266 225 T C 1.476 176.288 174.700 0.188 0.000 1.040 225 T CA 4.511 66.700 62.100 0.149 0.000 1.141 225 T CB 0.083 69.060 68.868 0.181 0.000 0.868 225 T HN -0.515 7.695 8.240 0.092 0.085 0.444 226 L N 2.444 123.800 121.223 0.222 0.000 2.005 226 L HA -0.348 4.051 4.340 0.099 0.000 0.207 226 L C 1.589 178.538 176.870 0.132 0.000 1.072 226 L CA 3.578 58.513 54.840 0.159 0.000 0.744 226 L CB -0.082 42.080 42.059 0.171 0.000 0.895 226 L HN 0.315 8.508 8.230 0.255 0.190 0.433 227 V N -2.428 117.550 119.914 0.107 0.000 2.594 227 V HA -0.611 3.550 4.120 0.068 0.000 0.253 227 V C 1.807 177.943 176.094 0.071 0.000 1.069 227 V CA 4.328 66.672 62.300 0.075 0.000 1.082 227 V CB -0.376 31.480 31.823 0.055 0.000 0.680 227 V HN 0.553 8.698 8.190 0.110 0.111 0.469 228 E N 1.263 121.519 120.200 0.092 0.000 2.008 228 E HA -0.296 4.080 4.350 0.043 0.000 0.191 228 E C 1.456 178.106 176.600 0.083 0.000 0.986 228 E CA 2.708 59.154 56.400 0.078 0.000 0.807 228 E CB -0.314 29.441 29.700 0.092 0.000 0.766 228 E HN -0.724 7.568 8.360 0.109 0.134 0.450 229 F N 0.155 120.102 119.950 -0.005 0.000 2.287 229 F HA -0.327 4.186 4.527 -0.023 0.000 0.301 229 F C 2.042 177.827 175.800 -0.024 0.000 1.069 229 F CA 3.062 61.050 58.000 -0.020 0.000 1.372 229 F CB 0.261 39.243 39.000 -0.030 0.000 1.056 229 F HN -0.365 8.105 8.300 0.284 0.000 0.523 230 R N -1.544 119.009 120.500 0.089 0.000 2.064 230 R HA -0.409 3.959 4.340 0.046 0.000 0.228 230 R C 2.334 178.597 176.300 -0.062 0.000 1.144 230 R CA 3.335 59.450 56.100 0.024 0.000 0.932 230 R CB -0.680 29.652 30.300 0.053 0.000 0.833 230 R HN -0.177 8.031 8.270 0.139 0.146 0.429 231 Q N -1.617 118.158 119.800 -0.041 0.000 2.224 231 Q HA -0.232 4.086 4.340 -0.036 0.000 0.203 231 Q C 2.564 178.503 176.000 -0.100 0.000 0.970 231 Q CA 3.034 58.807 55.803 -0.049 0.000 0.865 231 Q CB -0.132 28.593 28.738 -0.021 0.000 0.922 231 Q HN -0.463 7.801 8.270 -0.009 0.000 0.445 232 T N 2.406 116.865 114.554 -0.159 0.000 2.746 232 T HA -0.316 3.943 4.350 -0.152 0.000 0.267 232 T C 1.783 176.291 174.700 -0.320 0.000 1.039 232 T CA 4.998 66.960 62.100 -0.229 0.000 1.142 232 T CB -0.462 68.235 68.868 -0.284 0.000 0.866 232 T HN 0.179 8.309 8.240 -0.138 0.027 0.444 233 V N 1.371 121.025 119.914 -0.433 0.000 2.358 233 V HA -0.491 3.337 4.120 -0.486 0.000 0.246 233 V C 1.649 177.640 176.094 -0.173 0.000 1.047 233 V CA 4.528 66.590 62.300 -0.396 0.000 1.035 233 V CB -0.514 31.064 31.823 -0.410 0.000 0.658 233 V HN -0.485 7.422 8.190 -0.471 0.000 0.452 234 Q N -1.521 118.212 119.800 -0.112 0.000 2.061 234 Q HA -0.319 4.017 4.340 -0.007 0.000 0.204 234 Q C 2.520 178.508 176.000 -0.019 0.000 0.984 234 Q CA 3.172 58.953 55.803 -0.035 0.000 0.846 234 Q CB -0.787 27.939 28.738 -0.019 0.000 0.902 234 Q HN -0.481 7.709 8.270 -0.134 0.000 0.421 235 T N 0.899 115.429 114.554 -0.041 0.000 2.951 235 T HA -0.206 4.152 4.350 0.012 0.000 0.268 235 T C 1.785 176.488 174.700 0.005 0.000 1.073 235 T CA 3.154 65.248 62.100 -0.011 0.000 1.134 235 T CB -0.140 68.717 68.868 -0.019 0.000 0.884 235 T HN -0.376 7.821 8.240 -0.070 0.000 0.479 236 L N 1.693 122.875 121.223 -0.067 0.000 2.083 236 L HA -0.316 4.003 4.340 -0.034 0.000 0.209 236 L C 1.448 178.325 176.870 0.011 0.000 1.083 236 L CA 3.374 58.141 54.840 -0.123 0.000 0.752 236 L CB -0.078 41.730 42.059 -0.418 0.000 0.899 236 L HN -0.391 7.644 8.230 -0.121 0.122 0.433 237 E N -0.961 119.285 120.200 0.078 0.000 2.028 237 E HA -0.397 3.953 4.350 0.000 0.000 0.190 237 E C 2.160 178.825 176.600 0.108 0.000 0.984 237 E CA 3.282 59.735 56.400 0.089 0.000 0.800 237 E CB -0.288 29.465 29.700 0.088 0.000 0.758 237 E HN -0.153 8.211 8.360 0.032 0.015 0.448 238 A N -0.344 122.533 122.820 0.094 0.000 1.908 238 A HA -0.354 4.022 4.320 0.093 0.000 0.218 238 A C 2.085 179.740 177.584 0.118 0.000 1.181 238 A CA 3.553 55.646 52.037 0.093 0.000 0.627 238 A CB -0.736 18.302 19.000 0.062 0.000 0.818 238 A HN -0.338 7.854 8.150 0.070 0.000 0.445 239 T N 1.878 116.519 114.554 0.146 0.000 2.708 239 T HA -0.400 4.004 4.350 0.090 0.000 0.266 239 T C 2.188 176.993 174.700 0.175 0.000 1.037 239 T CA 5.182 67.374 62.100 0.154 0.000 1.146 239 T CB 0.067 69.047 68.868 0.186 0.000 0.865 239 T HN -0.069 8.254 8.240 0.138 0.000 0.435 240 Y N 0.534 120.836 120.300 0.003 0.000 2.293 240 Y HA -0.297 4.271 4.550 0.029 0.000 0.291 240 Y C 2.161 178.133 175.900 0.121 0.000 1.137 240 Y CA 3.239 61.338 58.100 -0.002 0.000 1.202 240 Y CB -0.579 37.750 38.460 -0.218 0.000 0.990 240 Y HN -0.456 8.141 8.280 0.529 0.000 0.537 241 R N -0.586 120.090 120.500 0.293 0.000 2.062 241 R HA -0.407 4.150 4.340 0.361 0.000 0.229 241 R C 2.147 178.531 176.300 0.140 0.000 1.128 241 R CA 4.162 60.422 56.100 0.265 0.000 0.960 241 R CB -0.290 30.135 30.300 0.208 0.000 0.855 241 R HN 0.526 8.824 8.270 0.249 0.122 0.432 242 R N -0.334 120.228 120.500 0.102 0.000 2.103 242 R HA -0.356 4.015 4.340 0.050 0.000 0.242 242 R C 2.044 178.368 176.300 0.040 0.000 1.142 242 R CA 3.004 59.138 56.100 0.058 0.000 0.960 242 R CB -0.591 29.736 30.300 0.044 0.000 0.858 242 R HN 0.191 8.421 8.270 0.116 0.110 0.439 243 A N -2.117 120.722 122.820 0.032 0.000 1.835 243 A HA -0.221 4.094 4.320 -0.008 0.000 0.215 243 A C 1.979 179.578 177.584 0.024 0.000 1.199 243 A CA 2.807 54.844 52.037 0.001 0.000 0.615 243 A CB -0.864 18.101 19.000 -0.059 0.000 0.838 243 A HN -0.540 7.630 8.150 0.042 0.005 0.444 244 A N -1.643 121.216 122.820 0.066 0.000 1.927 244 A HA -0.509 3.839 4.320 0.046 0.000 0.220 244 A C 2.167 179.768 177.584 0.029 0.000 1.185 244 A CA 2.927 55.002 52.037 0.063 0.000 0.639 244 A CB -0.885 18.182 19.000 0.112 0.000 0.820 244 A HN -0.294 7.917 8.150 0.103 0.000 0.451 245 Q N -2.873 116.948 119.800 0.034 0.000 2.112 245 Q HA -0.376 3.968 4.340 0.006 0.000 0.206 245 Q C 2.538 178.542 176.000 0.008 0.000 0.987 245 Q CA 3.151 58.964 55.803 0.016 0.000 0.858 245 Q CB -0.628 28.123 28.738 0.022 0.000 0.905 245 Q HN 0.424 8.612 8.270 0.056 0.116 0.420 246 D N -1.088 119.318 120.400 0.009 0.000 2.117 246 D HA -0.338 4.303 4.640 0.002 0.000 0.197 246 D C 1.545 177.845 176.300 -0.001 0.000 0.987 246 D CA 3.298 57.300 54.000 0.002 0.000 0.829 246 D CB -0.179 40.621 40.800 0.000 0.000 0.961 246 D HN -0.178 8.087 8.370 0.014 0.113 0.460 247 A N -2.138 120.682 122.820 0.000 0.000 1.933 247 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 247 A C 1.999 179.579 177.584 -0.007 0.000 1.175 247 A CA 2.780 54.815 52.037 -0.003 0.000 0.628 247 A CB -0.684 18.317 19.000 0.000 0.000 0.814 247 A HN -0.697 7.369 8.150 0.004 0.086 0.444 248 S N -2.043 113.652 115.700 -0.009 0.000 2.382 248 S HA -0.299 4.302 4.470 -0.019 -0.142 0.228 248 S C 1.908 176.501 174.600 -0.012 0.000 1.027 248 S CA 2.925 61.116 58.200 -0.015 0.000 0.991 248 S CB -0.302 62.887 63.200 -0.018 0.000 0.823 248 S HN 0.054 8.252 8.310 -0.005 0.109 0.469 249 R N -0.678 119.817 120.500 -0.008 0.000 2.096 249 R HA -0.269 4.066 4.340 -0.008 0.000 0.235 249 R C 1.163 177.458 176.300 -0.007 0.000 1.127 249 R CA 3.083 59.178 56.100 -0.007 0.000 0.968 249 R CB -0.067 30.230 30.300 -0.005 0.000 0.861 249 R HN -0.860 7.292 8.270 -0.006 0.114 0.440 250 D N -6.144 114.252 120.400 -0.007 0.000 2.349 250 D HA -0.125 4.511 4.640 -0.006 0.000 0.224 250 D C 0.439 176.734 176.300 -0.008 0.000 1.029 250 D CA 0.737 54.733 54.000 -0.006 0.000 0.879 250 D CB -0.437 40.360 40.800 -0.005 0.000 0.906 250 D HN -0.604 7.660 8.370 -0.006 0.102 0.528 251 E N -1.149 119.045 120.200 -0.010 0.000 2.008 251 E HA -0.296 4.048 4.350 -0.011 0.000 0.191 251 E C 0.103 176.696 176.600 -0.012 0.000 0.986 251 E CA 2.056 58.449 56.400 -0.012 0.000 0.807 251 E CB 0.620 30.310 29.700 -0.016 0.000 0.766 251 E HN -0.731 7.413 8.360 -0.010 0.210 0.450 252 K N -1.722 118.670 120.400 -0.012 0.000 2.561 252 K HA -0.303 4.010 4.320 -0.013 0.000 0.280 252 K C -0.158 176.437 176.600 -0.009 0.000 0.975 252 K CA 1.185 57.465 56.287 -0.011 0.000 1.024 252 K CB 0.291 32.784 32.500 -0.011 0.000 0.883 252 K HN -0.789 7.454 8.250 -0.013 0.000 0.496 253 G N 1.640 110.435 108.800 -0.009 0.000 3.394 253 G HA2 -0.003 3.952 3.960 -0.007 0.000 0.132 253 G HA3 -0.003 3.952 3.960 -0.007 0.000 0.132 253 G C -2.026 172.869 174.900 -0.007 0.000 1.220 253 G CA 0.768 45.864 45.100 -0.008 0.000 1.421 253 G HN 0.016 8.300 8.290 -0.010 0.000 0.711 254 A N 0.033 122.848 122.820 -0.007 0.000 1.461 254 A HA 0.276 4.591 4.320 -0.007 0.000 0.209 254 A C -0.842 176.738 177.584 -0.007 0.000 1.769 254 A CA 0.294 52.326 52.037 -0.007 0.000 1.456 254 A CB 0.879 19.876 19.000 -0.006 0.000 1.363 254 A HN 0.306 8.451 8.150 -0.007 0.000 0.395 255 T N -2.506 112.044 114.554 -0.007 0.000 2.903 255 T HA 0.143 4.489 4.350 -0.007 0.000 0.299 255 T C -0.668 174.028 174.700 -0.007 0.000 1.093 255 T CA -0.990 61.106 62.100 -0.007 0.000 1.002 255 T CB 1.503 70.368 68.868 -0.006 0.000 1.127 255 T HN -0.589 7.648 8.240 -0.006 0.000 0.488 256 N N 1.621 120.317 118.700 -0.007 0.000 2.727 256 N HA -0.302 4.434 4.740 -0.007 0.000 0.249 256 N C -0.267 175.238 175.510 -0.007 0.000 1.048 256 N CA 0.511 53.557 53.050 -0.007 0.000 0.714 256 N CB -0.174 38.310 38.487 -0.005 0.000 0.959 256 N HN 0.377 8.753 8.380 -0.007 0.000 0.544 257 A N -1.650 121.165 122.820 -0.009 0.000 1.933 257 A HA -0.230 4.085 4.320 -0.009 0.000 0.218 257 A C -0.583 176.995 177.584 -0.011 0.000 1.175 257 A CA 1.905 53.936 52.037 -0.010 0.000 0.628 257 A CB 0.381 19.374 19.000 -0.012 0.000 0.814 257 A HN 0.207 8.344 8.150 -0.009 0.008 0.444 258 A N -5.884 116.929 122.820 -0.011 0.000 2.604 258 A HA 0.058 4.372 4.320 -0.009 0.000 0.206 258 A C -1.180 176.396 177.584 -0.012 0.000 1.959 258 A CA -0.313 51.717 52.037 -0.012 0.000 1.535 258 A CB -0.092 18.898 19.000 -0.016 0.000 0.924 258 A HN -0.521 7.613 8.150 -0.012 0.009 0.640 259 D N -1.483 118.911 120.400 -0.011 0.000 2.144 259 D HA -0.181 4.452 4.640 -0.012 0.000 0.199 259 D C 1.625 177.921 176.300 -0.008 0.000 0.984 259 D CA 0.307 54.301 54.000 -0.010 0.000 0.834 259 D CB -0.324 40.471 40.800 -0.009 0.000 0.955 259 D HN -0.145 8.220 8.370 -0.009 0.000 0.465 260 G N 1.005 109.802 108.800 -0.006 0.000 2.356 260 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.296 260 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.296 260 G C 0.006 174.904 174.900 -0.003 0.000 1.022 260 G CA -0.206 44.892 45.100 -0.004 0.000 0.961 260 G HN 0.033 8.308 8.290 -0.006 0.011 0.510 261 A N 0.000 122.818 122.820 -0.003 0.000 2.254 261 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 261 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 261 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 261 A HN 0.000 8.275 8.150 -0.004 -0.128 0.486