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 2jol_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 4.351 4.350 0.001 0.000 0.228 78 T C 0.000 174.707 174.700 0.012 0.000 1.109 78 T CA 0.000 62.103 62.100 0.005 0.000 1.349 78 T CB 0.000 68.869 68.868 0.001 0.000 0.612 79 G N 2.742 111.555 108.800 0.021 0.000 2.514 79 G HA2 -0.148 3.823 3.960 0.019 0.000 0.217 79 G HA3 -0.148 3.831 3.960 0.032 0.000 0.217 79 G C -0.415 174.497 174.900 0.019 0.000 1.198 79 G CA 0.750 45.864 45.100 0.023 0.000 0.780 79 G HN -0.176 8.129 8.290 0.025 0.000 0.565 80 D N -1.447 118.966 120.400 0.020 0.000 2.684 80 D HA 0.010 4.654 4.640 0.007 0.000 0.233 80 D C -1.103 175.197 176.300 -0.000 0.000 1.374 80 D CA -0.078 53.927 54.000 0.009 0.000 0.906 80 D CB 0.579 41.383 40.800 0.006 0.000 1.526 80 D HN -0.406 7.981 8.370 0.029 0.000 0.518 81 A N 2.681 125.505 122.820 0.007 0.000 2.148 81 A HA -0.386 3.946 4.320 0.020 0.000 0.222 81 A C 1.148 178.707 177.584 -0.040 0.000 1.161 81 A CA 2.635 54.677 52.037 0.008 0.000 0.662 81 A CB -0.102 18.922 19.000 0.040 0.000 0.799 81 A HN 0.391 8.548 8.150 0.011 0.000 0.466 82 K N -3.809 116.562 120.400 -0.049 0.000 2.032 82 K HA -0.360 3.908 4.320 -0.086 0.000 0.209 82 K C 1.458 177.951 176.600 -0.179 0.000 1.048 82 K CA 2.713 58.948 56.287 -0.086 0.000 0.927 82 K CB -0.228 32.243 32.500 -0.048 0.000 0.712 82 K HN 0.157 8.312 8.250 -0.025 0.080 0.441 83 Q N -3.947 115.746 119.800 -0.179 0.000 2.394 83 Q HA 0.011 4.022 4.340 -0.549 0.000 0.218 83 Q C 2.122 177.827 176.000 -0.491 0.000 0.907 83 Q CA 1.452 57.036 55.803 -0.365 0.000 0.919 83 Q CB 1.285 29.967 28.738 -0.094 0.000 1.051 83 Q HN -0.368 7.844 8.270 -0.097 0.000 0.538 84 A N 1.932 124.671 122.820 -0.136 0.000 1.821 84 A HA -0.291 4.095 4.320 0.110 0.000 0.215 84 A C 1.321 178.997 177.584 0.154 0.000 1.216 84 A CA 3.690 55.770 52.037 0.072 0.000 0.615 84 A CB -0.761 18.342 19.000 0.172 0.000 0.862 84 A HN 0.102 8.207 8.150 -0.075 0.000 0.450 85 I N -0.006 120.640 120.570 0.126 0.000 2.300 85 I HA -0.442 3.894 4.170 0.277 0.000 0.252 85 I C 1.667 177.764 176.117 -0.034 0.000 1.119 85 I CA 2.292 63.670 61.300 0.130 0.000 1.384 85 I CB -1.044 37.002 38.000 0.078 0.000 1.062 85 I HN -0.129 8.123 8.210 0.070 0.000 0.426 86 R N -1.229 119.079 120.500 -0.320 0.000 2.073 86 R HA -0.461 3.529 4.340 -0.583 0.000 0.234 86 R C 2.098 178.023 176.300 -0.624 0.000 1.134 86 R CA 3.870 59.562 56.100 -0.680 0.000 0.952 86 R CB -0.307 29.422 30.300 -0.953 0.000 0.850 86 R HN -0.237 7.814 8.270 -0.321 0.026 0.433 87 H N -1.539 117.370 119.070 -0.268 0.000 2.428 87 H HA -0.092 4.351 4.556 -0.189 0.000 0.296 87 H C 2.520 177.748 175.328 -0.167 0.000 1.062 87 H CA 1.074 56.990 56.048 -0.219 0.000 1.350 87 H CB -0.484 29.133 29.762 -0.241 0.000 1.403 87 H HN -0.308 7.434 8.280 -0.763 0.080 0.533 88 F N 0.045 120.014 119.950 0.032 0.000 2.134 88 F HA -0.292 4.271 4.527 0.060 0.000 0.299 88 F C 2.060 177.890 175.800 0.051 0.000 1.097 88 F CA 4.654 62.678 58.000 0.041 0.000 1.264 88 F CB -0.259 38.753 39.000 0.020 0.000 1.001 88 F HN -0.139 8.192 8.300 0.195 0.086 0.479 89 V N -0.510 119.530 119.914 0.210 0.000 2.490 89 V HA -0.535 3.683 4.120 0.164 0.000 0.250 89 V C 1.036 177.258 176.094 0.213 0.000 1.061 89 V CA 3.613 66.018 62.300 0.175 0.000 1.064 89 V CB -0.148 31.756 31.823 0.135 0.000 0.670 89 V HN -0.063 8.226 8.190 0.164 0.000 0.461 90 D N -0.184 120.370 120.400 0.255 0.000 2.117 90 D HA -0.354 4.503 4.640 0.362 0.000 0.197 90 D C 1.900 178.304 176.300 0.173 0.000 0.987 90 D CA 3.822 58.003 54.000 0.301 0.000 0.829 90 D CB 0.016 41.027 40.800 0.352 0.000 0.961 90 D HN -0.624 7.739 8.370 0.196 0.125 0.460 91 E N -0.596 119.677 120.200 0.122 0.000 2.077 91 E HA -0.383 4.006 4.350 0.065 0.000 0.193 91 E C 2.132 178.794 176.600 0.103 0.000 0.989 91 E CA 2.819 59.270 56.400 0.084 0.000 0.800 91 E CB -0.137 29.596 29.700 0.054 0.000 0.746 91 E HN -0.640 7.699 8.360 0.114 0.090 0.452 92 A N 0.396 123.288 122.820 0.120 0.000 1.865 92 A HA -0.232 4.144 4.320 0.094 0.000 0.217 92 A C 1.989 179.639 177.584 0.111 0.000 1.191 92 A CA 3.046 55.146 52.037 0.105 0.000 0.623 92 A CB -0.420 18.636 19.000 0.094 0.000 0.826 92 A HN -0.749 7.484 8.150 0.138 0.000 0.444 93 V N -1.278 118.711 119.914 0.126 0.000 2.282 93 V HA -0.701 3.489 4.120 0.117 0.000 0.249 93 V C 2.228 178.409 176.094 0.145 0.000 1.057 93 V CA 4.699 67.076 62.300 0.128 0.000 1.032 93 V CB -0.320 31.583 31.823 0.134 0.000 0.645 93 V HN -0.275 7.997 8.190 0.137 0.000 0.447 94 K N -1.072 119.426 120.400 0.164 0.000 1.985 94 K HA -0.483 4.016 4.320 0.298 0.000 0.210 94 K C 2.380 179.172 176.600 0.320 0.000 1.047 94 K CA 4.137 60.577 56.287 0.255 0.000 0.932 94 K CB -0.284 32.319 32.500 0.172 0.000 0.716 94 K HN -0.368 7.969 8.250 0.145 0.000 0.439 95 Q N -0.911 118.985 119.800 0.161 0.000 2.045 95 Q HA -0.406 3.985 4.340 0.085 0.000 0.206 95 Q C 2.713 178.805 176.000 0.153 0.000 0.991 95 Q CA 3.387 59.263 55.803 0.121 0.000 0.851 95 Q CB -0.005 28.777 28.738 0.073 0.000 0.911 95 Q HN -0.297 8.045 8.270 0.121 0.000 0.418 96 V N -0.765 119.229 119.914 0.133 0.000 2.358 96 V HA -0.427 3.756 4.120 0.105 0.000 0.246 96 V C 1.768 177.937 176.094 0.126 0.000 1.047 96 V CA 3.659 66.029 62.300 0.117 0.000 1.035 96 V CB -0.792 31.090 31.823 0.099 0.000 0.658 96 V HN 0.303 8.568 8.190 0.124 0.000 0.452 97 A N 0.115 123.010 122.820 0.124 0.000 1.917 97 A HA -0.434 3.919 4.320 0.055 0.000 0.219 97 A C 2.037 179.615 177.584 -0.010 0.000 1.182 97 A CA 3.268 55.335 52.037 0.049 0.000 0.633 97 A CB -0.532 18.470 19.000 0.004 0.000 0.819 97 A HN 0.393 8.519 8.150 0.141 0.108 0.448 98 H N -2.131 116.973 119.070 0.055 0.000 2.428 98 H HA -0.230 4.354 4.556 0.047 0.000 0.296 98 H C 0.826 176.185 175.328 0.052 0.000 1.062 98 H CA 3.469 59.545 56.048 0.048 0.000 1.350 98 H CB -0.245 29.540 29.762 0.038 0.000 1.403 98 H HN 0.139 8.605 8.280 0.313 0.002 0.533 99 A N -1.246 121.675 122.820 0.169 0.000 1.865 99 A HA -0.175 4.208 4.320 0.105 0.000 0.217 99 A C 1.139 178.779 177.584 0.092 0.000 1.191 99 A CA 2.230 54.334 52.037 0.112 0.000 0.623 99 A CB -0.045 19.010 19.000 0.092 0.000 0.826 99 A HN -0.310 7.830 8.150 0.185 0.121 0.444 100 R N -6.336 114.228 120.500 0.106 0.000 2.362 100 R HA 0.199 4.593 4.340 0.091 0.000 0.227 100 R C 1.193 177.593 176.300 0.168 0.000 0.905 100 R CA 0.139 56.318 56.100 0.132 0.000 1.067 100 R CB 0.307 30.716 30.300 0.182 0.000 1.078 100 R HN -0.334 8.003 8.270 0.112 0.000 0.516 101 T N 3.684 118.296 114.554 0.097 0.000 2.720 101 T HA -0.148 4.239 4.350 0.060 0.000 0.268 101 T C -0.916 173.829 174.700 0.075 0.000 1.037 101 T CA 6.271 68.402 62.100 0.052 0.000 1.144 101 T CB -1.928 66.909 68.868 -0.051 0.000 0.864 101 T HN -0.339 7.780 8.240 0.079 0.169 0.444 102 P HA -0.168 4.285 4.420 0.054 0.000 0.216 102 P C 1.448 178.807 177.300 0.099 0.000 1.150 102 P CA 2.989 66.131 63.100 0.070 0.000 0.837 102 P CB -0.311 31.424 31.700 0.059 0.000 0.786 103 E N -1.490 118.795 120.200 0.142 0.000 2.106 103 E HA -0.263 4.158 4.350 0.117 0.000 0.192 103 E C 2.294 179.110 176.600 0.361 0.000 0.984 103 E CA 2.936 59.452 56.400 0.193 0.000 0.806 103 E CB -0.420 29.338 29.700 0.098 0.000 0.750 103 E HN -0.670 7.664 8.360 0.136 0.107 0.458 104 I N -0.284 120.518 120.570 0.386 0.000 2.226 104 I HA -0.452 3.790 4.170 0.121 0.000 0.245 104 I C 2.209 178.367 176.117 0.070 0.000 1.100 104 I CA 4.241 65.634 61.300 0.155 0.000 1.374 104 I CB -0.241 37.735 38.000 -0.040 0.000 1.057 104 I HN -0.537 7.790 8.210 0.337 0.085 0.413 105 R N -2.164 118.375 120.500 0.064 0.000 2.066 105 R HA -0.360 3.987 4.340 0.012 0.000 0.232 105 R C 2.964 179.293 176.300 0.048 0.000 1.131 105 R CA 3.248 59.369 56.100 0.035 0.000 0.955 105 R CB -0.249 30.067 30.300 0.027 0.000 0.851 105 R HN -0.538 7.781 8.270 0.080 0.000 0.432 106 Q N -1.039 118.803 119.800 0.070 0.000 2.079 106 Q HA -0.197 4.169 4.340 0.044 0.000 0.200 106 Q C 1.096 177.141 176.000 0.075 0.000 0.974 106 Q CA 2.314 58.154 55.803 0.062 0.000 0.840 106 Q CB 0.661 29.434 28.738 0.059 0.000 0.898 106 Q HN -0.105 8.104 8.270 0.084 0.111 0.430 107 D N 0.179 120.654 120.400 0.124 0.000 2.634 107 D HA 0.235 4.934 4.640 0.098 0.000 0.318 107 D C -1.590 174.804 176.300 0.157 0.000 1.226 107 D CA -0.789 53.299 54.000 0.148 0.000 0.899 107 D CB -0.139 40.776 40.800 0.193 0.000 1.025 107 D HN 0.441 8.772 8.370 0.161 0.135 0.501 108 A N 2.328 125.188 122.820 0.067 0.000 3.110 108 A HA -0.066 4.336 4.320 -0.037 -0.105 0.265 108 A C -0.551 177.033 177.584 0.000 0.000 1.962 108 A CA 0.908 52.947 52.037 0.003 0.000 1.493 108 A CB -1.406 17.585 19.000 -0.015 0.000 0.941 108 A HN 0.391 8.573 8.150 0.054 0.000 0.610 109 E N 2.586 122.807 120.200 0.034 0.000 2.701 109 E HA 0.039 4.394 4.350 0.007 0.000 0.201 109 E C 1.127 177.769 176.600 0.069 0.000 0.961 109 E CA 0.931 57.358 56.400 0.045 0.000 1.659 109 E CB 1.562 31.310 29.700 0.080 0.000 1.970 109 E HN 0.549 8.897 8.360 0.091 0.066 1.021 110 F N -0.192 119.769 119.950 0.018 0.000 2.456 110 F HA 0.342 5.035 4.527 0.027 -0.150 0.298 110 F C 1.273 177.095 175.800 0.036 0.000 1.104 110 F CA 1.032 59.047 58.000 0.026 0.000 1.435 110 F CB 0.179 39.193 39.000 0.024 0.000 1.078 110 F HN -0.599 7.894 8.300 0.322 0.000 0.546 111 G N -0.084 108.184 108.800 -0.886 0.000 2.440 111 G HA2 -0.393 2.951 3.960 -1.026 0.000 0.218 111 G HA3 -0.393 3.211 3.960 -0.593 0.000 0.218 111 G C 0.866 175.605 174.900 -0.268 0.000 1.154 111 G CA 2.043 46.697 45.100 -0.743 0.000 0.767 111 G HN 0.058 7.915 8.290 -0.668 0.033 0.552 112 R N -0.498 119.911 120.500 -0.151 0.000 2.096 112 R HA -0.318 4.006 4.340 -0.025 0.000 0.235 112 R C 2.467 178.807 176.300 0.065 0.000 1.127 112 R CA 2.515 58.599 56.100 -0.028 0.000 0.968 112 R CB -1.310 28.972 30.300 -0.030 0.000 0.861 112 R HN 0.217 8.379 8.270 -0.173 0.004 0.440 113 Q N -0.445 119.383 119.800 0.048 0.000 2.124 113 Q HA -0.269 4.120 4.340 0.081 0.000 0.202 113 Q C 2.506 178.556 176.000 0.084 0.000 0.977 113 Q CA 2.947 58.801 55.803 0.085 0.000 0.850 113 Q CB -0.165 28.645 28.738 0.119 0.000 0.901 113 Q HN -0.609 7.567 8.270 0.019 0.106 0.429 114 V N 0.423 120.380 119.914 0.070 0.000 2.343 114 V HA -0.476 3.704 4.120 0.100 0.000 0.247 114 V C 1.271 177.404 176.094 0.065 0.000 1.051 114 V CA 4.108 66.453 62.300 0.075 0.000 1.036 114 V CB -0.631 31.217 31.823 0.041 0.000 0.654 114 V HN -0.204 7.899 8.190 0.016 0.097 0.451 115 Y N 0.390 120.662 120.300 -0.047 0.000 2.102 115 Y HA -0.561 3.964 4.550 -0.041 0.000 0.280 115 Y C 1.345 177.222 175.900 -0.040 0.000 1.178 115 Y CA 4.082 62.155 58.100 -0.046 0.000 1.146 115 Y CB -0.309 38.116 38.460 -0.059 0.000 0.968 115 Y HN -0.345 7.950 8.280 0.162 0.083 0.504 116 E N -2.024 118.055 120.200 -0.202 0.000 2.072 116 E HA -0.449 3.572 4.350 -0.549 0.000 0.191 116 E C 2.156 178.627 176.600 -0.216 0.000 0.985 116 E CA 2.835 59.057 56.400 -0.297 0.000 0.801 116 E CB -0.450 29.189 29.700 -0.100 0.000 0.750 116 E HN -0.453 7.934 8.360 0.048 0.002 0.452 117 A N -0.373 122.391 122.820 -0.093 0.000 1.930 117 A HA -0.186 4.105 4.320 -0.047 0.000 0.217 117 A C 1.801 179.357 177.584 -0.047 0.000 1.175 117 A CA 2.973 54.986 52.037 -0.040 0.000 0.627 117 A CB -0.445 18.573 19.000 0.029 0.000 0.815 117 A HN -0.394 7.660 8.150 -0.045 0.069 0.443 118 T N 2.605 117.117 114.554 -0.070 0.000 2.684 118 T HA -0.446 3.875 4.350 -0.049 0.000 0.267 118 T C 1.874 176.499 174.700 -0.126 0.000 1.036 118 T CA 5.459 67.510 62.100 -0.082 0.000 1.148 118 T CB -0.090 68.743 68.868 -0.058 0.000 0.863 118 T HN 0.374 8.443 8.240 -0.071 0.128 0.436 119 L N 0.440 121.547 121.223 -0.192 0.000 2.093 119 L HA -0.382 3.946 4.340 -0.019 0.000 0.208 119 L C 1.845 178.686 176.870 -0.047 0.000 1.085 119 L CA 3.480 58.224 54.840 -0.160 0.000 0.755 119 L CB -0.585 41.228 42.059 -0.410 0.000 0.904 119 L HN -0.572 7.484 8.230 -0.290 0.000 0.435 120 C N -1.073 118.175 119.300 -0.088 0.000 2.413 120 C HA -0.510 3.939 4.460 -0.019 0.000 0.276 120 C C 1.950 177.018 174.990 0.130 0.000 1.248 120 C CA 5.362 64.380 59.018 0.000 0.000 1.742 120 C CB -1.096 26.618 27.740 -0.044 0.000 2.017 120 C HN -0.363 7.687 8.230 -0.146 0.093 0.481 121 A N 0.851 123.712 122.820 0.070 0.000 1.902 121 A HA -0.302 4.119 4.320 0.147 -0.013 0.217 121 A C 1.958 179.595 177.584 0.089 0.000 1.181 121 A CA 3.452 55.545 52.037 0.093 0.000 0.623 121 A CB -0.882 18.146 19.000 0.048 0.000 0.818 121 A HN 0.319 8.394 8.150 0.015 0.083 0.443 122 I N -1.551 119.051 120.570 0.052 0.000 2.226 122 I HA -0.538 3.637 4.170 0.010 0.000 0.245 122 I C 1.873 178.134 176.117 0.240 0.000 1.100 122 I CA 4.098 65.460 61.300 0.103 0.000 1.374 122 I CB -0.007 38.085 38.000 0.153 0.000 1.057 122 I HN -0.618 7.526 8.210 0.013 0.074 0.413 123 F N 0.752 120.838 119.950 0.225 0.000 2.075 123 F HA -0.531 4.192 4.527 0.326 0.000 0.297 123 F C 1.734 177.613 175.800 0.131 0.000 1.113 123 F CA 4.050 62.181 58.000 0.218 0.000 1.218 123 F CB 0.378 39.434 39.000 0.094 0.000 0.984 123 F HN 0.334 8.740 8.300 0.468 0.175 0.472 124 S N -1.167 114.694 115.700 0.267 0.000 2.368 124 S HA -0.343 4.172 4.470 0.074 0.000 0.224 124 S C 2.384 177.025 174.600 0.068 0.000 1.029 124 S CA 3.711 61.996 58.200 0.143 0.000 0.988 124 S CB -0.393 62.925 63.200 0.196 0.000 0.838 124 S HN 0.547 8.971 8.310 0.383 0.116 0.462 125 E N 1.591 121.855 120.200 0.107 0.000 2.106 125 E HA -0.271 4.143 4.350 0.106 0.000 0.192 125 E C 1.809 178.455 176.600 0.077 0.000 0.984 125 E CA 2.951 59.416 56.400 0.109 0.000 0.806 125 E CB -0.023 29.773 29.700 0.159 0.000 0.750 125 E HN 0.168 8.498 8.360 0.138 0.113 0.458 126 A N -0.045 122.815 122.820 0.067 0.000 1.883 126 A HA -0.257 4.264 4.320 0.102 -0.140 0.217 126 A C 2.321 179.982 177.584 0.127 0.000 1.186 126 A CA 3.279 55.383 52.037 0.112 0.000 0.624 126 A CB -0.546 18.526 19.000 0.120 0.000 0.822 126 A HN 0.285 8.363 8.150 0.064 0.109 0.444 127 K N -2.397 118.048 120.400 0.076 0.000 2.057 127 K HA -0.361 4.067 4.320 0.180 0.000 0.207 127 K C 2.147 178.770 176.600 0.039 0.000 1.049 127 K CA 3.602 59.932 56.287 0.072 0.000 0.931 127 K CB -0.311 32.157 32.500 -0.053 0.000 0.714 127 K HN -0.687 7.536 8.250 -0.046 0.000 0.440 128 D N -0.700 119.717 120.400 0.029 0.000 2.117 128 D HA -0.246 4.407 4.640 0.022 0.000 0.197 128 D C 2.045 178.349 176.300 0.008 0.000 0.987 128 D CA 3.351 57.367 54.000 0.026 0.000 0.829 128 D CB 0.113 40.938 40.800 0.041 0.000 0.961 128 D HN -0.379 7.938 8.370 0.028 0.069 0.460 129 R N -0.806 119.702 120.500 0.014 0.000 2.073 129 R HA -0.329 4.011 4.340 0.001 0.000 0.234 129 R C 2.048 178.307 176.300 -0.068 0.000 1.134 129 R CA 3.411 59.508 56.100 -0.005 0.000 0.952 129 R CB -0.120 30.195 30.300 0.024 0.000 0.850 129 R HN 0.192 8.374 8.270 0.032 0.107 0.433 130 F N 1.962 121.728 119.950 -0.307 0.000 2.134 130 F HA -0.234 4.171 4.527 -0.390 -0.111 0.299 130 F C 1.699 177.354 175.800 -0.241 0.000 1.097 130 F CA 3.196 60.934 58.000 -0.436 0.000 1.264 130 F CB 0.346 38.761 39.000 -0.974 0.000 1.001 130 F HN -0.145 8.129 8.300 -0.045 0.000 0.479 131 C N -1.179 118.086 119.300 -0.058 0.000 2.429 131 C HA -0.438 3.984 4.460 -0.063 0.000 0.277 131 C C 2.400 177.320 174.990 -0.116 0.000 1.262 131 C CA 5.160 64.140 59.018 -0.063 0.000 1.733 131 C CB -0.465 27.280 27.740 0.008 0.000 2.010 131 C HN 0.451 8.580 8.230 0.015 0.110 0.483 132 M N -0.945 118.596 119.600 -0.098 0.000 2.175 132 M HA -0.320 4.117 4.480 -0.072 0.000 0.264 132 M C -0.509 175.714 176.300 -0.129 0.000 1.063 132 M CA 2.526 57.773 55.300 -0.089 0.000 1.119 132 M CB 0.359 32.925 32.600 -0.057 0.000 1.377 132 M HN -0.102 8.031 8.290 -0.074 0.113 0.415 133 D N 0.013 120.299 120.400 -0.190 0.000 2.571 133 D HA -0.066 4.484 4.640 -0.149 0.000 0.231 133 D C -0.115 176.065 176.300 -0.200 0.000 1.133 133 D CA 1.805 55.677 54.000 -0.214 0.000 0.862 133 D CB 0.121 40.718 40.800 -0.339 0.000 1.179 133 D HN -0.534 7.709 8.370 -0.211 0.000 0.474 134 P HA -0.099 4.257 4.420 -0.106 0.000 0.225 134 P C -0.422 176.802 177.300 -0.127 0.000 1.156 134 P CA 1.890 64.921 63.100 -0.116 0.000 0.787 134 P CB 0.391 32.041 31.700 -0.083 0.000 0.802 135 A N -2.921 119.804 122.820 -0.159 0.000 2.275 135 A HA 0.115 4.371 4.320 -0.106 0.000 0.212 135 A C -0.203 177.259 177.584 -0.203 0.000 1.201 135 A CA 1.065 53.014 52.037 -0.147 0.000 0.843 135 A CB -0.027 18.900 19.000 -0.122 0.000 0.873 135 A HN -0.029 7.977 8.150 -0.176 0.038 0.492 136 T N -4.813 109.553 114.554 -0.313 0.000 3.571 136 T HA 0.297 4.499 4.350 -0.246 0.000 0.292 136 T C -0.029 174.505 174.700 -0.276 0.000 0.994 136 T CA -0.890 60.965 62.100 -0.409 0.000 0.996 136 T CB 0.807 69.005 68.868 -1.116 0.000 1.185 136 T HN -0.670 7.322 8.240 -0.307 0.065 0.482 137 R N 2.258 122.661 120.500 -0.161 0.000 2.066 137 R HA -0.152 4.121 4.340 -0.112 0.000 0.232 137 R C -1.136 175.139 176.300 -0.043 0.000 1.131 137 R CA 3.332 59.373 56.100 -0.098 0.000 0.955 137 R CB 0.602 30.858 30.300 -0.074 0.000 0.851 137 R HN -0.422 7.760 8.270 -0.145 0.000 0.432 138 A N -5.655 117.152 122.820 -0.022 0.000 2.513 138 A HA 0.181 4.520 4.320 0.031 0.000 0.296 138 A C -0.615 176.986 177.584 0.028 0.000 1.052 138 A CA -0.114 51.931 52.037 0.013 0.000 0.714 138 A CB 1.150 20.154 19.000 0.006 0.000 1.279 138 A HN -0.467 7.662 8.150 -0.035 0.000 0.397 139 G N 1.287 110.120 108.800 0.055 0.000 2.196 139 G HA2 -0.355 3.646 3.960 0.069 0.000 0.268 139 G HA3 -0.355 3.630 3.960 0.041 0.000 0.268 139 G C 0.055 174.995 174.900 0.066 0.000 0.975 139 G CA 0.837 45.972 45.100 0.058 0.000 0.648 139 G HN 0.345 8.676 8.290 0.068 0.000 0.538 140 N N -1.170 117.572 118.700 0.071 0.000 2.109 140 N HA -0.151 4.616 4.740 0.044 0.000 0.188 140 N C 0.297 175.886 175.510 0.133 0.000 1.034 140 N CA 1.268 54.360 53.050 0.071 0.000 0.846 140 N CB 0.411 38.916 38.487 0.029 0.000 1.010 140 N HN 0.200 8.488 8.380 0.061 0.128 0.425 141 V N -11.013 109.056 119.914 0.257 0.000 4.884 141 V HA 0.132 4.376 4.120 0.206 0.000 0.629 141 V C -0.447 175.939 176.094 0.486 0.000 2.076 141 V CA -0.239 62.264 62.300 0.339 0.000 2.762 141 V CB 0.735 32.783 31.823 0.375 0.000 1.008 141 V HN -0.515 7.842 8.190 0.278 0.000 0.509 142 R N 2.209 122.990 120.500 0.469 0.000 2.070 142 R HA -0.096 4.577 4.340 0.554 0.000 0.233 142 R C -0.911 175.541 176.300 0.254 0.000 1.137 142 R CA 5.246 61.601 56.100 0.424 0.000 0.945 142 R CB -1.961 28.521 30.300 0.305 0.000 0.845 142 R HN 0.465 8.946 8.270 0.352 0.000 0.430 143 P HA -0.151 4.338 4.420 0.115 0.000 0.216 143 P C 1.078 178.458 177.300 0.133 0.000 1.153 143 P CA 2.942 66.122 63.100 0.133 0.000 0.858 143 P CB -0.730 31.034 31.700 0.106 0.000 0.789 144 A N -3.209 119.720 122.820 0.183 0.000 1.898 144 A HA -0.130 4.285 4.320 0.157 0.000 0.216 144 A C 2.132 179.850 177.584 0.224 0.000 1.181 144 A CA 2.698 54.873 52.037 0.230 0.000 0.620 144 A CB -0.658 18.507 19.000 0.274 0.000 0.819 144 A HN -0.031 8.230 8.150 0.199 0.009 0.442 145 F N 0.229 120.171 119.950 -0.013 0.000 2.171 145 F HA -0.376 3.672 4.527 -0.799 0.000 0.300 145 F C 1.647 177.258 175.800 -0.314 0.000 1.090 145 F CA 3.694 61.413 58.000 -0.469 0.000 1.293 145 F CB 0.369 38.797 39.000 -0.954 0.000 1.013 145 F HN -0.077 8.321 8.300 0.308 0.087 0.486 146 I N -0.570 119.959 120.570 -0.068 0.000 2.179 146 I HA -0.613 3.464 4.170 -0.154 0.000 0.242 146 I C 1.556 177.623 176.117 -0.084 0.000 1.088 146 I CA 3.207 64.460 61.300 -0.079 0.000 1.357 146 I CB -0.726 37.298 38.000 0.039 0.000 1.051 146 I HN 0.446 8.694 8.210 0.082 0.011 0.409 147 E N 0.379 120.556 120.200 -0.038 0.000 2.047 147 E HA -0.498 3.871 4.350 0.032 0.000 0.191 147 E C 2.333 178.901 176.600 -0.053 0.000 0.987 147 E CA 3.357 59.755 56.400 -0.003 0.000 0.799 147 E CB -0.016 29.705 29.700 0.035 0.000 0.752 147 E HN -0.388 7.897 8.360 -0.003 0.073 0.449 148 A N -0.382 122.345 122.820 -0.155 0.000 1.930 148 A HA -0.261 4.002 4.320 -0.095 0.000 0.217 148 A C 1.857 179.274 177.584 -0.277 0.000 1.175 148 A CA 3.176 55.081 52.037 -0.219 0.000 0.627 148 A CB -0.378 18.403 19.000 -0.365 0.000 0.815 148 A HN 0.244 8.295 8.150 -0.165 0.000 0.443 149 L N -1.345 119.597 121.223 -0.468 0.000 2.046 149 L HA -0.326 3.795 4.340 -0.366 0.000 0.208 149 L C 1.889 178.839 176.870 0.134 0.000 1.077 149 L CA 3.122 57.755 54.840 -0.345 0.000 0.747 149 L CB -0.281 41.370 42.059 -0.680 0.000 0.896 149 L HN 0.215 7.969 8.230 -0.615 0.107 0.432 150 G N -2.785 106.105 108.800 0.151 0.000 2.408 150 G HA2 -0.467 3.718 3.960 0.374 0.000 0.217 150 G HA3 -0.467 3.628 3.960 0.225 0.000 0.217 150 G C 0.830 175.851 174.900 0.202 0.000 1.150 150 G CA 1.990 47.248 45.100 0.262 0.000 0.776 150 G HN -0.056 8.246 8.290 0.020 0.000 0.542 151 D N 1.841 122.309 120.400 0.113 0.000 2.092 151 D HA -0.297 4.389 4.640 0.077 0.000 0.193 151 D C 1.891 178.244 176.300 0.089 0.000 0.994 151 D CA 2.945 56.992 54.000 0.078 0.000 0.828 151 D CB -0.251 40.570 40.800 0.035 0.000 0.963 151 D HN -0.429 7.897 8.370 0.064 0.082 0.450 152 A N -1.663 121.237 122.820 0.133 0.000 1.930 152 A HA -0.146 4.257 4.320 0.137 0.000 0.217 152 A C 2.022 179.723 177.584 0.195 0.000 1.175 152 A CA 2.865 55.030 52.037 0.214 0.000 0.627 152 A CB -0.542 18.631 19.000 0.288 0.000 0.815 152 A HN -0.545 7.671 8.150 0.110 0.000 0.443 153 A N -2.917 119.985 122.820 0.138 0.000 2.172 153 A HA -0.225 3.457 4.320 -1.064 0.000 0.216 153 A C 1.324 178.823 177.584 -0.142 0.000 1.154 153 A CA 2.286 54.094 52.037 -0.382 0.000 0.701 153 A CB -0.793 18.043 19.000 -0.273 0.000 0.789 153 A HN -0.101 8.240 8.150 0.318 0.000 0.465 154 R N -1.509 119.003 120.500 0.021 0.000 2.090 154 R HA -0.218 4.106 4.340 -0.027 0.000 0.219 154 R C 2.456 178.697 176.300 -0.099 0.000 1.100 154 R CA 2.654 58.730 56.100 -0.039 0.000 0.991 154 R CB 0.119 30.373 30.300 -0.077 0.000 0.893 154 R HN -0.370 7.748 8.270 0.064 0.191 0.443 155 A N -1.473 121.318 122.820 -0.048 0.000 1.986 155 A HA -0.248 4.042 4.320 -0.050 0.000 0.220 155 A C 1.732 179.292 177.584 -0.040 0.000 1.171 155 A CA 2.901 54.917 52.037 -0.035 0.000 0.640 155 A CB -0.871 18.134 19.000 0.008 0.000 0.811 155 A HN -0.344 7.799 8.150 -0.011 0.000 0.451 156 T N -5.189 109.325 114.554 -0.067 0.000 2.881 156 T HA -0.294 4.055 4.350 -0.001 0.000 0.270 156 T C 1.098 175.771 174.700 -0.046 0.000 1.068 156 T CA 1.727 63.788 62.100 -0.065 0.000 1.131 156 T CB 0.220 68.965 68.868 -0.205 0.000 0.871 156 T HN -0.697 7.465 8.240 -0.093 0.022 0.479 157 G N 1.527 110.275 108.800 -0.086 0.000 2.204 157 G HA2 -0.387 3.536 3.960 -0.136 0.000 0.244 157 G HA3 -0.387 3.543 3.960 -0.051 0.000 0.244 157 G C -0.449 174.412 174.900 -0.064 0.000 1.062 157 G CA 0.014 45.063 45.100 -0.084 0.000 0.798 157 G HN -0.144 7.908 8.290 -0.110 0.171 0.496 158 L N 0.792 121.972 121.223 -0.070 0.000 2.534 158 L HA 0.091 4.364 4.340 -0.111 0.000 0.271 158 L C -0.558 176.340 176.870 0.047 0.000 1.178 158 L CA -2.124 52.682 54.840 -0.057 0.000 0.907 158 L CB 1.045 43.028 42.059 -0.127 0.000 1.164 158 L HN -0.676 7.504 8.230 -0.084 0.000 0.482 159 P HA 0.101 4.540 4.420 0.031 0.000 0.231 159 P C -0.328 177.005 177.300 0.054 0.000 1.756 159 P CA -0.818 62.300 63.100 0.030 0.000 0.990 159 P CB -1.463 30.241 31.700 0.006 0.000 1.973 160 G N 0.776 109.677 108.800 0.168 0.000 2.873 160 G HA2 0.193 4.113 3.960 -0.067 0.000 0.170 160 G HA3 0.193 4.089 3.960 -0.107 0.000 0.170 160 G C -1.632 173.335 174.900 0.112 0.000 1.608 160 G CA -0.947 44.181 45.100 0.047 0.000 1.084 160 G HN -0.036 8.395 8.290 0.350 0.069 0.563 161 A N -0.412 122.444 122.820 0.060 0.000 2.455 161 A HA 0.324 4.711 4.320 0.112 0.000 0.300 161 A C -2.390 175.281 177.584 0.144 0.000 1.040 161 A CA -0.378 51.710 52.037 0.085 0.000 0.697 161 A CB 2.598 21.600 19.000 0.004 0.000 1.265 161 A HN -0.404 7.663 8.150 -0.138 0.000 0.407 162 D N 2.708 123.209 120.400 0.168 0.000 2.313 162 D HA 0.119 4.904 4.640 0.243 0.000 0.239 162 D C -0.578 175.769 176.300 0.079 0.000 1.142 162 D CA -0.105 53.995 54.000 0.166 0.000 0.847 162 D CB 0.617 41.490 40.800 0.123 0.000 1.082 162 D HN 0.189 8.634 8.370 0.125 0.000 0.480 163 K N 5.605 126.043 120.400 0.064 0.000 2.426 163 K HA 0.320 4.660 4.320 0.033 0.000 0.254 163 K C -0.246 176.377 176.600 0.038 0.000 0.936 163 K CA -1.421 54.888 56.287 0.037 0.000 0.801 163 K CB 1.971 34.483 32.500 0.020 0.000 1.139 163 K HN 0.326 8.622 8.250 0.077 0.000 0.424 164 Q N 4.664 124.482 119.800 0.031 0.000 2.437 164 Q HA -0.342 4.013 4.340 0.024 0.000 0.274 164 Q C -0.149 175.872 176.000 0.035 0.000 1.165 164 Q CA 0.939 56.759 55.803 0.029 0.000 0.925 164 Q CB -1.769 26.984 28.738 0.026 0.000 1.327 164 Q HN 1.065 9.352 8.270 0.027 0.000 0.505 165 G N -5.390 103.435 108.800 0.042 0.000 2.225 165 G HA2 -0.415 3.571 3.960 0.043 0.000 0.254 165 G HA3 -0.415 3.568 3.960 0.038 0.000 0.254 165 G C -0.634 174.308 174.900 0.070 0.000 0.988 165 G CA -0.156 44.972 45.100 0.047 0.000 0.625 165 G HN 0.140 8.422 8.290 0.043 0.034 0.527 166 V N 3.719 123.677 119.914 0.073 0.000 2.383 166 V HA 0.078 4.258 4.120 0.100 0.000 0.275 166 V C -1.616 174.550 176.094 0.121 0.000 1.036 166 V CA -0.587 61.766 62.300 0.087 0.000 0.889 166 V CB 0.918 32.774 31.823 0.056 0.000 0.985 166 V HN 0.022 8.044 8.190 0.058 0.203 0.459 167 F N 10.396 130.341 119.950 -0.009 0.000 2.411 167 F HA 0.317 4.952 4.527 -0.043 -0.135 0.355 167 F C -1.468 174.306 175.800 -0.044 0.000 1.117 167 F CA -1.357 56.621 58.000 -0.038 0.000 1.139 167 F CB 1.137 40.105 39.000 -0.053 0.000 1.120 167 F HN 0.563 9.019 8.300 0.259 0.000 0.493 168 T N 9.189 123.278 114.554 -0.776 0.000 3.041 168 T HA 0.438 4.297 4.350 -0.819 0.000 0.321 168 T C -2.210 172.049 174.700 -0.735 0.000 1.184 168 T CA -1.904 59.776 62.100 -0.701 0.000 1.050 168 T CB 2.038 70.775 68.868 -0.219 0.000 1.159 168 T HN 0.060 7.976 8.240 -0.540 0.000 0.469 169 P HA 0.162 4.291 4.420 -0.485 0.000 0.269 169 P C 0.203 177.350 177.300 -0.255 0.000 1.215 169 P CA -0.421 62.365 63.100 -0.523 0.000 0.780 169 P CB 0.563 31.905 31.700 -0.596 0.000 0.898 170 S N 1.277 116.878 115.700 -0.165 0.000 2.419 170 S HA -0.274 4.151 4.470 -0.076 0.000 0.233 170 S C 0.772 175.343 174.600 -0.048 0.000 1.016 170 S CA 1.886 60.036 58.200 -0.084 0.000 0.974 170 S CB 0.201 63.368 63.200 -0.055 0.000 0.786 170 S HN 0.485 8.693 8.310 -0.170 0.000 0.492 171 G N -0.274 108.497 108.800 -0.048 0.000 2.174 171 G HA2 -0.178 3.801 3.960 0.032 0.000 0.070 171 G HA3 -0.178 3.788 3.960 0.011 0.000 0.070 171 G C -1.727 173.181 174.900 0.012 0.000 1.120 171 G CA -0.421 44.681 45.100 0.004 0.000 1.194 171 G HN -0.474 7.730 8.290 -0.088 0.033 0.435 172 A N 3.376 126.211 122.820 0.025 0.000 2.154 172 A HA -0.326 4.019 4.320 0.042 0.000 0.274 172 A C -0.118 177.497 177.584 0.051 0.000 1.373 172 A CA 0.076 52.133 52.037 0.034 0.000 0.751 172 A CB -0.932 18.080 19.000 0.019 0.000 1.149 172 A HN 0.213 8.378 8.150 0.025 0.000 0.337 173 G N -3.691 105.157 108.800 0.080 0.000 2.396 173 G HA2 -0.203 3.823 3.960 0.111 0.000 0.214 173 G HA3 -0.203 3.835 3.960 0.130 0.000 0.214 173 G C -0.967 174.008 174.900 0.125 0.000 1.166 173 G CA 0.586 45.753 45.100 0.112 0.000 0.793 173 G HN 0.422 8.758 8.290 0.077 0.000 0.533 174 T N -5.134 109.490 114.554 0.116 0.000 2.912 174 T HA 0.095 4.552 4.350 0.178 0.000 0.280 174 T C -1.082 173.679 174.700 0.102 0.000 0.989 174 T CA -1.914 60.264 62.100 0.129 0.000 0.995 174 T CB 2.489 71.421 68.868 0.107 0.000 1.077 174 T HN -1.006 7.293 8.240 0.097 0.000 0.531 175 N N -1.487 117.277 118.700 0.106 0.000 2.460 175 N HA -0.141 4.642 4.740 0.071 0.000 0.283 175 N C -2.443 173.129 175.510 0.103 0.000 1.657 175 N CA 1.214 54.316 53.050 0.087 0.000 3.290 175 N CB -0.854 37.677 38.487 0.074 0.000 1.514 175 N HN -0.030 8.421 8.380 0.118 0.000 1.133 176 P HA 0.208 4.722 4.420 0.157 0.000 0.323 176 P C 0.890 178.288 177.300 0.163 0.000 1.309 176 P CA -0.878 62.317 63.100 0.159 0.000 0.739 176 P CB 1.066 32.867 31.700 0.169 0.000 1.454 177 L N -2.598 118.735 121.223 0.183 0.000 2.046 177 L HA -0.222 4.194 4.340 0.128 0.000 0.208 177 L C 2.088 179.054 176.870 0.159 0.000 1.077 177 L CA 3.333 58.269 54.840 0.160 0.000 0.747 177 L CB -0.367 41.794 42.059 0.170 0.000 0.896 177 L HN 0.305 8.656 8.230 0.202 0.000 0.432 178 Y N -1.462 118.889 120.300 0.085 0.000 2.151 178 Y HA -0.493 4.107 4.550 0.083 0.000 0.284 178 Y C 1.317 177.266 175.900 0.082 0.000 1.166 178 Y CA 4.082 62.231 58.100 0.082 0.000 1.163 178 Y CB -0.632 37.875 38.460 0.078 0.000 0.974 178 Y HN 0.227 8.698 8.280 0.317 0.000 0.511 179 T N 0.027 114.629 114.554 0.079 0.000 2.777 179 T HA -0.460 3.838 4.350 -0.087 0.000 0.266 179 T C 1.550 176.222 174.700 -0.046 0.000 1.040 179 T CA 5.690 67.787 62.100 -0.006 0.000 1.141 179 T CB -0.569 68.355 68.868 0.093 0.000 0.868 179 T HN -0.570 7.801 8.240 0.228 0.006 0.444 180 E N 1.685 121.889 120.200 0.005 0.000 2.072 180 E HA -0.279 4.077 4.350 0.010 0.000 0.191 180 E C 2.314 178.908 176.600 -0.009 0.000 0.985 180 E CA 3.007 59.414 56.400 0.011 0.000 0.801 180 E CB 0.041 29.767 29.700 0.042 0.000 0.750 180 E HN -0.753 7.546 8.360 0.048 0.090 0.452 181 I N -2.785 117.769 120.570 -0.027 0.000 2.353 181 I HA -0.368 3.814 4.170 0.020 0.000 0.248 181 I C 1.259 177.340 176.117 -0.060 0.000 1.119 181 I CA 2.917 64.206 61.300 -0.019 0.000 1.417 181 I CB -0.379 37.627 38.000 0.010 0.000 1.078 181 I HN 0.326 8.520 8.210 -0.025 0.000 0.421 182 R N 0.111 120.505 120.500 -0.176 0.000 2.081 182 R HA -0.400 3.871 4.340 -0.116 0.000 0.235 182 R C 2.409 178.678 176.300 -0.052 0.000 1.131 182 R CA 3.931 59.934 56.100 -0.160 0.000 0.960 182 R CB -0.023 30.093 30.300 -0.307 0.000 0.856 182 R HN -0.585 7.524 8.270 -0.267 0.000 0.436 183 L N -1.513 119.682 121.223 -0.046 0.000 2.046 183 L HA -0.385 3.946 4.340 -0.015 0.000 0.208 183 L C 2.116 178.985 176.870 -0.001 0.000 1.077 183 L CA 3.029 57.859 54.840 -0.016 0.000 0.747 183 L CB -0.491 41.562 42.059 -0.010 0.000 0.896 183 L HN -0.429 7.762 8.230 -0.066 0.000 0.432 184 R N -0.921 119.584 120.500 0.009 0.000 2.073 184 R HA -0.362 3.992 4.340 0.023 0.000 0.234 184 R C 2.139 178.463 176.300 0.040 0.000 1.134 184 R CA 2.664 58.781 56.100 0.028 0.000 0.952 184 R CB -0.550 29.775 30.300 0.042 0.000 0.850 184 R HN -0.665 7.606 8.270 0.003 0.000 0.433 185 A N -2.996 119.856 122.820 0.053 0.000 2.015 185 A HA -0.232 4.157 4.320 0.115 0.000 0.219 185 A C 1.660 179.263 177.584 0.032 0.000 1.163 185 A CA 2.841 54.926 52.037 0.080 0.000 0.646 185 A CB -0.637 18.428 19.000 0.109 0.000 0.806 185 A HN -0.253 7.922 8.150 0.042 0.000 0.448 186 D N -1.648 118.764 120.400 0.019 0.000 2.117 186 D HA -0.269 4.372 4.640 0.001 0.000 0.197 186 D C 1.995 178.267 176.300 -0.047 0.000 0.987 186 D CA 3.216 57.211 54.000 -0.009 0.000 0.829 186 D CB 0.132 40.924 40.800 -0.013 0.000 0.961 186 D HN -0.081 8.169 8.370 0.020 0.132 0.460 187 T N 1.599 116.132 114.554 -0.034 0.000 2.708 187 T HA -0.346 3.975 4.350 -0.048 0.000 0.266 187 T C 2.678 177.332 174.700 -0.076 0.000 1.037 187 T CA 4.002 66.076 62.100 -0.044 0.000 1.146 187 T CB 0.054 68.910 68.868 -0.021 0.000 0.865 187 T HN -0.519 7.711 8.240 -0.015 0.000 0.435 188 L N 0.513 121.682 121.223 -0.089 0.000 2.056 188 L HA -0.214 4.046 4.340 -0.133 0.000 0.207 188 L C 1.159 177.829 176.870 -0.333 0.000 1.078 188 L CA 2.977 57.707 54.840 -0.182 0.000 0.749 188 L CB 0.296 42.260 42.059 -0.159 0.000 0.901 188 L HN -0.680 7.522 8.230 -0.047 0.000 0.433 189 M N -5.031 114.380 119.600 -0.314 0.000 2.494 189 M HA 0.235 4.461 4.480 -0.424 0.000 0.232 189 M C 1.281 177.474 176.300 -0.178 0.000 1.137 189 M CA -0.124 54.991 55.300 -0.309 0.000 1.012 189 M CB -0.208 32.259 32.600 -0.220 0.000 1.567 189 M HN -0.256 7.905 8.290 -0.214 0.000 0.486 190 G N -0.495 108.217 108.800 -0.147 0.000 2.687 190 G HA2 -0.276 3.604 3.960 -0.134 0.000 0.209 190 G HA3 -0.276 3.612 3.960 -0.105 0.009 0.209 190 G C -0.694 174.135 174.900 -0.119 0.000 1.146 190 G CA 0.367 45.392 45.100 -0.124 0.000 0.787 190 G HN -0.299 7.723 8.290 -0.145 0.181 0.532 191 A N 0.024 122.768 122.820 -0.126 0.000 2.445 191 A HA 0.137 4.404 4.320 -0.088 0.000 0.270 191 A C 0.938 178.467 177.584 -0.092 0.000 1.495 191 A CA -0.763 51.213 52.037 -0.102 0.000 0.840 191 A CB 0.913 19.852 19.000 -0.103 0.000 1.472 191 A HN -0.753 7.146 8.150 -0.153 0.160 0.541 192 E N -2.522 117.636 120.200 -0.070 0.000 2.267 192 E HA -0.368 3.946 4.350 -0.060 0.000 0.197 192 E C 1.767 178.337 176.600 -0.050 0.000 0.998 192 E CA 2.492 58.858 56.400 -0.056 0.000 0.830 192 E CB -0.431 29.245 29.700 -0.039 0.000 0.751 192 E HN 0.239 8.560 8.360 -0.064 0.000 0.491 193 L N -1.436 119.757 121.223 -0.050 0.000 1.989 193 L HA -0.309 4.032 4.340 0.001 0.000 0.211 193 L C 2.279 179.147 176.870 -0.003 0.000 1.071 193 L CA 3.031 57.861 54.840 -0.016 0.000 0.749 193 L CB -0.817 41.228 42.059 -0.024 0.000 0.890 193 L HN -0.318 7.828 8.230 -0.067 0.044 0.431 194 A N -1.915 120.859 122.820 -0.078 0.000 2.024 194 A HA -0.253 3.896 4.320 -0.285 0.000 0.220 194 A C 0.557 177.992 177.584 -0.249 0.000 1.164 194 A CA 2.227 54.111 52.037 -0.255 0.000 0.643 194 A CB -0.583 18.218 19.000 -0.332 0.000 0.806 194 A HN -0.540 7.557 8.150 -0.088 0.000 0.451 195 A N -3.420 119.319 122.820 -0.134 0.000 2.167 195 A HA -0.070 4.172 4.320 -0.130 0.000 0.214 195 A C 0.374 177.926 177.584 -0.053 0.000 1.151 195 A CA 0.313 52.289 52.037 -0.102 0.000 0.735 195 A CB 0.319 19.272 19.000 -0.078 0.000 0.802 195 A HN -0.561 7.369 8.150 -0.107 0.156 0.467 196 R N -1.020 119.470 120.500 -0.017 0.000 2.490 196 R HA 0.151 4.491 4.340 -0.000 0.000 0.278 196 R C -1.065 175.264 176.300 0.049 0.000 1.069 196 R CA -2.751 53.358 56.100 0.015 0.000 1.080 196 R CB -0.195 30.121 30.300 0.027 0.000 1.030 196 R HN -0.338 7.737 8.270 -0.016 0.186 0.491 197 P HA -0.132 4.319 4.420 0.052 0.000 0.223 197 P C 0.755 178.096 177.300 0.068 0.000 1.151 197 P CA 1.845 64.973 63.100 0.047 0.000 0.787 197 P CB 0.288 31.999 31.700 0.019 0.000 0.788 198 E N -1.879 118.356 120.200 0.059 0.000 2.209 198 E HA -0.301 4.061 4.350 0.021 0.000 0.196 198 E C 1.345 177.974 176.600 0.048 0.000 0.993 198 E CA 3.130 59.553 56.400 0.039 0.000 0.819 198 E CB -1.113 28.600 29.700 0.022 0.000 0.745 198 E HN 0.325 8.668 8.360 0.050 0.047 0.477 199 Y N -1.214 119.073 120.300 -0.022 0.000 2.181 199 Y HA -0.328 4.209 4.550 -0.022 0.000 0.288 199 Y C 0.954 176.853 175.900 -0.002 0.000 1.146 199 Y CA 3.226 61.315 58.100 -0.017 0.000 1.164 199 Y CB 0.266 38.712 38.460 -0.023 0.000 0.982 199 Y HN -0.655 7.608 8.280 0.214 0.145 0.515 200 R N -2.711 117.910 120.500 0.202 0.000 2.073 200 R HA -0.308 4.160 4.340 0.212 0.000 0.234 200 R C 1.650 177.963 176.300 0.022 0.000 1.134 200 R CA 2.481 58.660 56.100 0.131 0.000 0.952 200 R CB -0.254 30.107 30.300 0.101 0.000 0.850 200 R HN -0.653 7.752 8.270 0.224 0.000 0.433 201 E N -2.033 118.170 120.200 0.005 0.000 2.106 201 E HA -0.219 4.137 4.350 0.011 0.000 0.192 201 E C 1.776 178.357 176.600 -0.031 0.000 0.984 201 E CA 2.004 58.401 56.400 -0.004 0.000 0.806 201 E CB -0.115 29.587 29.700 0.004 0.000 0.750 201 E HN -0.488 7.883 8.360 0.018 0.000 0.458 202 L N -0.664 120.505 121.223 -0.090 0.000 3.301 202 L HA -0.202 4.109 4.340 -0.048 0.000 0.269 202 L C -0.604 176.205 176.870 -0.102 0.000 1.240 202 L CA 0.182 54.951 54.840 -0.119 0.000 1.038 202 L CB -1.768 40.147 42.059 -0.239 0.000 1.406 202 L HN -0.555 7.598 8.230 -0.102 0.015 0.409 203 Q N -0.192 119.586 119.800 -0.037 0.000 2.062 203 Q HA -0.060 4.282 4.340 0.003 0.000 0.196 203 Q C -0.345 175.694 176.000 0.065 0.000 0.967 203 Q CA 4.347 60.158 55.803 0.013 0.000 0.832 203 Q CB -0.970 27.783 28.738 0.024 0.000 0.899 203 Q HN 0.317 8.416 8.270 -0.024 0.156 0.442 204 P HA 0.016 4.458 4.420 0.037 0.000 0.245 204 P C -0.052 177.294 177.300 0.077 0.000 1.212 204 P CA 0.908 64.040 63.100 0.052 0.000 0.774 204 P CB -0.558 31.158 31.700 0.026 0.000 0.999 205 Y N 1.374 121.679 120.300 0.009 0.000 2.138 205 Y HA -0.364 4.201 4.550 0.025 0.000 0.286 205 Y C 0.996 176.927 175.900 0.052 0.000 1.115 205 Y CA 3.625 61.737 58.100 0.020 0.000 1.105 205 Y CB -0.146 38.311 38.460 -0.006 0.000 1.004 205 Y HN -0.653 7.680 8.280 0.207 0.072 0.494 206 A N -2.047 120.977 122.820 0.341 0.000 1.930 206 A HA -0.308 4.155 4.320 0.239 0.000 0.217 206 A C 2.009 179.704 177.584 0.185 0.000 1.175 206 A CA 2.636 54.829 52.037 0.261 0.000 0.627 206 A CB -0.724 18.440 19.000 0.274 0.000 0.815 206 A HN 0.284 8.665 8.150 0.385 0.000 0.443 207 R N -2.141 118.477 120.500 0.197 0.000 2.073 207 R HA -0.413 4.048 4.340 0.201 0.000 0.234 207 R C 1.918 178.242 176.300 0.040 0.000 1.134 207 R CA 3.684 59.862 56.100 0.131 0.000 0.952 207 R CB -0.292 30.036 30.300 0.047 0.000 0.850 207 R HN -0.338 8.037 8.270 0.201 0.015 0.433 208 Q N -0.732 119.059 119.800 -0.014 0.000 2.112 208 Q HA -0.362 3.963 4.340 -0.026 0.000 0.206 208 Q C 2.787 178.753 176.000 -0.056 0.000 0.987 208 Q CA 3.177 58.949 55.803 -0.052 0.000 0.858 208 Q CB -0.360 28.314 28.738 -0.105 0.000 0.905 208 Q HN -0.481 7.781 8.270 -0.013 0.000 0.420 209 Q N -1.844 117.907 119.800 -0.081 0.000 2.096 209 Q HA -0.166 4.139 4.340 -0.058 0.000 0.197 209 Q C 2.455 178.466 176.000 0.019 0.000 0.964 209 Q CA 2.175 57.947 55.803 -0.051 0.000 0.838 209 Q CB -0.120 28.572 28.738 -0.076 0.000 0.906 209 Q HN -0.733 7.462 8.270 -0.116 0.006 0.444 210 A N -0.119 122.744 122.820 0.072 0.000 1.902 210 A HA -0.246 4.140 4.320 0.109 0.000 0.217 210 A C 2.067 179.703 177.584 0.086 0.000 1.181 210 A CA 3.121 55.231 52.037 0.122 0.000 0.623 210 A CB -0.357 18.797 19.000 0.256 0.000 0.818 210 A HN 0.247 8.445 8.150 0.079 0.000 0.443 211 I N -5.947 114.659 120.570 0.060 0.000 2.493 211 I HA -0.407 3.797 4.170 0.057 0.000 0.254 211 I C 1.123 177.261 176.117 0.036 0.000 1.160 211 I CA 3.175 64.503 61.300 0.047 0.000 1.445 211 I CB -0.569 37.452 38.000 0.035 0.000 1.086 211 I HN 0.522 8.649 8.210 0.057 0.116 0.433 212 D N 0.571 120.981 120.400 0.017 0.000 2.117 212 D HA -0.288 4.352 4.640 -0.001 0.000 0.197 212 D C 2.146 178.441 176.300 -0.008 0.000 0.987 212 D CA 3.002 57.001 54.000 -0.001 0.000 0.829 212 D CB -0.013 40.778 40.800 -0.014 0.000 0.961 212 D HN -0.630 7.627 8.370 0.015 0.123 0.460 213 L N -0.267 120.954 121.223 -0.002 0.000 2.017 213 L HA -0.298 4.022 4.340 -0.032 0.000 0.208 213 L C 1.691 178.544 176.870 -0.028 0.000 1.073 213 L CA 3.010 57.840 54.840 -0.017 0.000 0.745 213 L CB 0.100 42.157 42.059 -0.002 0.000 0.894 213 L HN -0.782 7.455 8.230 0.011 0.000 0.432 214 V N -1.580 118.330 119.914 -0.006 0.000 2.343 214 V HA -0.560 3.518 4.120 -0.069 0.000 0.247 214 V C 2.148 178.222 176.094 -0.033 0.000 1.051 214 V CA 4.221 66.510 62.300 -0.019 0.000 1.036 214 V CB -0.191 31.656 31.823 0.041 0.000 0.654 214 V HN -0.826 7.375 8.190 0.018 0.000 0.451 215 A N -3.386 119.428 122.820 -0.011 0.000 2.121 215 A HA -0.257 4.020 4.320 -0.072 0.000 0.218 215 A C 1.669 179.215 177.584 -0.064 0.000 1.154 215 A CA 2.547 54.559 52.037 -0.041 0.000 0.679 215 A CB -0.796 18.196 19.000 -0.013 0.000 0.795 215 A HN 0.299 8.284 8.150 0.011 0.172 0.458 216 N N -1.033 117.633 118.700 -0.057 0.000 2.142 216 N HA -0.279 4.429 4.740 -0.053 0.000 0.186 216 N C 0.814 176.279 175.510 -0.076 0.000 1.023 216 N CA 2.262 55.276 53.050 -0.060 0.000 0.852 216 N CB -0.662 37.792 38.487 -0.055 0.000 0.998 216 N HN -0.452 7.687 8.380 -0.047 0.213 0.424 217 A N -2.442 120.321 122.820 -0.096 0.000 2.239 217 A HA -0.077 4.188 4.320 -0.092 0.000 0.209 217 A C -0.604 176.910 177.584 -0.117 0.000 1.171 217 A CA 0.539 52.510 52.037 -0.111 0.000 0.768 217 A CB 0.205 19.110 19.000 -0.158 0.000 0.790 217 A HN -0.452 7.638 8.150 -0.100 0.000 0.478 218 L N -2.619 118.529 121.223 -0.125 0.000 2.303 218 L HA 0.311 4.562 4.340 -0.148 0.000 0.266 218 L C -2.628 174.169 176.870 -0.120 0.000 1.011 218 L CA -3.251 51.497 54.840 -0.152 0.000 0.818 218 L CB 0.744 42.660 42.059 -0.238 0.000 1.326 218 L HN -0.799 7.137 8.230 -0.113 0.226 0.435 219 P HA 0.022 4.399 4.420 -0.071 0.000 0.296 219 P C -0.081 177.170 177.300 -0.083 0.000 1.295 219 P CA -0.522 62.526 63.100 -0.087 0.000 0.754 219 P CB 0.613 32.264 31.700 -0.081 0.000 1.311 220 A N -2.759 120.024 122.820 -0.062 0.000 2.119 220 A HA -0.149 4.143 4.320 -0.046 0.000 0.216 220 A C 2.226 179.779 177.584 -0.051 0.000 1.152 220 A CA 2.217 54.225 52.037 -0.049 0.000 0.708 220 A CB -0.516 18.463 19.000 -0.035 0.000 0.805 220 A HN 0.236 8.352 8.150 -0.055 0.000 0.460 221 E N -1.181 118.979 120.200 -0.067 0.000 1.993 221 E HA -0.393 3.931 4.350 -0.043 0.000 0.198 221 E C 2.226 178.779 176.600 -0.079 0.000 0.999 221 E CA 2.965 59.325 56.400 -0.066 0.000 0.850 221 E CB -0.486 29.168 29.700 -0.077 0.000 0.796 221 E HN 0.274 8.542 8.360 -0.073 0.049 0.482 222 R N -2.935 117.468 120.500 -0.161 0.000 2.174 222 R HA -0.283 3.946 4.340 -0.185 0.000 0.253 222 R C 2.700 178.945 176.300 -0.092 0.000 1.165 222 R CA 2.927 58.871 56.100 -0.260 0.000 0.984 222 R CB -0.772 29.126 30.300 -0.669 0.000 0.873 222 R HN 0.305 8.465 8.270 -0.183 0.000 0.456 223 S N -1.536 114.119 115.700 -0.076 0.000 2.368 223 S HA -0.339 4.139 4.470 0.014 0.000 0.225 223 S C 1.816 176.433 174.600 0.028 0.000 1.030 223 S CA 3.415 61.608 58.200 -0.011 0.000 0.999 223 S CB -0.594 62.590 63.200 -0.028 0.000 0.844 223 S HN -0.381 7.835 8.310 -0.106 0.030 0.459 224 N N 2.167 120.876 118.700 0.015 0.000 2.166 224 N HA -0.255 4.501 4.740 0.027 0.000 0.186 224 N C 2.245 177.793 175.510 0.065 0.000 1.019 224 N CA 2.533 55.601 53.050 0.030 0.000 0.856 224 N CB -0.542 37.953 38.487 0.014 0.000 0.993 224 N HN 0.212 8.483 8.380 -0.009 0.103 0.426 225 T N 4.353 118.960 114.554 0.088 0.000 2.684 225 T HA -0.428 3.988 4.350 0.110 0.000 0.267 225 T C 1.862 176.667 174.700 0.175 0.000 1.036 225 T CA 4.996 67.178 62.100 0.138 0.000 1.148 225 T CB -0.153 68.836 68.868 0.202 0.000 0.863 225 T HN -0.555 7.613 8.240 0.063 0.111 0.436 226 L N 0.427 121.769 121.223 0.198 0.000 2.046 226 L HA -0.409 4.045 4.340 0.191 0.000 0.208 226 L C 1.878 178.827 176.870 0.131 0.000 1.077 226 L CA 3.529 58.475 54.840 0.176 0.000 0.747 226 L CB -0.375 41.781 42.059 0.162 0.000 0.896 226 L HN -0.463 7.894 8.230 0.213 0.000 0.432 227 V N -0.527 119.442 119.914 0.091 0.000 2.343 227 V HA -0.557 3.586 4.120 0.039 0.000 0.247 227 V C 2.078 178.206 176.094 0.057 0.000 1.051 227 V CA 4.534 66.866 62.300 0.054 0.000 1.036 227 V CB -0.479 31.365 31.823 0.035 0.000 0.654 227 V HN -0.504 7.669 8.190 0.089 0.071 0.451 228 E N 0.764 121.013 120.200 0.082 0.000 2.031 228 E HA -0.341 4.037 4.350 0.048 0.000 0.193 228 E C 1.997 178.661 176.600 0.107 0.000 0.994 228 E CA 3.086 59.535 56.400 0.081 0.000 0.800 228 E CB -0.212 29.543 29.700 0.092 0.000 0.752 228 E HN 0.279 8.584 8.360 0.090 0.109 0.447 229 F N 0.100 120.049 119.950 -0.002 0.000 2.134 229 F HA -0.303 4.214 4.527 -0.018 0.000 0.299 229 F C 1.691 177.481 175.800 -0.018 0.000 1.097 229 F CA 3.105 61.097 58.000 -0.012 0.000 1.264 229 F CB 0.255 39.248 39.000 -0.012 0.000 1.001 229 F HN -0.041 8.430 8.300 0.284 0.000 0.479 230 R N -1.051 119.423 120.500 -0.044 0.000 2.083 230 R HA -0.492 3.715 4.340 -0.222 0.000 0.237 230 R C 2.278 178.485 176.300 -0.155 0.000 1.137 230 R CA 4.031 60.051 56.100 -0.133 0.000 0.951 230 R CB -0.304 29.981 30.300 -0.026 0.000 0.851 230 R HN 0.165 8.397 8.270 0.112 0.105 0.434 231 Q N -2.192 117.555 119.800 -0.088 0.000 2.123 231 Q HA -0.222 4.081 4.340 -0.062 0.000 0.199 231 Q C 2.451 178.388 176.000 -0.106 0.000 0.966 231 Q CA 3.206 58.967 55.803 -0.070 0.000 0.845 231 Q CB 0.068 28.789 28.738 -0.029 0.000 0.907 231 Q HN -0.120 8.122 8.270 -0.046 0.000 0.439 232 T N 3.205 117.678 114.554 -0.136 0.000 2.720 232 T HA -0.350 3.944 4.350 -0.093 0.000 0.268 232 T C 1.778 176.329 174.700 -0.248 0.000 1.037 232 T CA 5.163 67.170 62.100 -0.155 0.000 1.144 232 T CB -0.643 68.153 68.868 -0.120 0.000 0.864 232 T HN 0.124 8.298 8.240 -0.110 0.000 0.444 233 V N 1.910 121.577 119.914 -0.412 0.000 2.295 233 V HA -0.535 3.336 4.120 -0.415 0.000 0.246 233 V C 1.499 177.503 176.094 -0.150 0.000 1.049 233 V CA 5.108 67.177 62.300 -0.386 0.000 1.024 233 V CB -0.353 31.143 31.823 -0.545 0.000 0.648 233 V HN 0.301 8.179 8.190 -0.520 0.000 0.447 234 Q N -0.669 119.058 119.800 -0.122 0.000 2.096 234 Q HA -0.296 4.038 4.340 -0.010 0.000 0.204 234 Q C 3.005 179.003 176.000 -0.004 0.000 0.982 234 Q CA 3.249 59.029 55.803 -0.038 0.000 0.850 234 Q CB -0.616 28.101 28.738 -0.035 0.000 0.901 234 Q HN -0.384 7.784 8.270 -0.170 0.000 0.422 235 T N 3.707 118.246 114.554 -0.025 0.000 2.777 235 T HA -0.341 4.028 4.350 0.031 0.000 0.266 235 T C 1.867 176.590 174.700 0.039 0.000 1.040 235 T CA 5.435 67.541 62.100 0.010 0.000 1.141 235 T CB -0.086 68.779 68.868 -0.004 0.000 0.868 235 T HN 0.273 8.367 8.240 -0.061 0.110 0.444 236 L N 1.393 122.595 121.223 -0.035 0.000 2.017 236 L HA -0.486 3.832 4.340 -0.036 0.000 0.208 236 L C 1.759 178.684 176.870 0.092 0.000 1.073 236 L CA 3.657 58.435 54.840 -0.102 0.000 0.745 236 L CB -0.349 41.461 42.059 -0.416 0.000 0.894 236 L HN 0.493 8.487 8.230 -0.094 0.179 0.432 237 E N -0.942 119.368 120.200 0.184 0.000 2.031 237 E HA -0.432 4.069 4.350 0.253 0.000 0.193 237 E C 2.349 179.086 176.600 0.229 0.000 0.994 237 E CA 3.446 59.988 56.400 0.236 0.000 0.800 237 E CB -0.262 29.530 29.700 0.154 0.000 0.752 237 E HN 0.585 8.894 8.360 0.107 0.115 0.447 238 A N -1.371 121.542 122.820 0.154 0.000 1.902 238 A HA -0.240 4.152 4.320 0.120 0.000 0.217 238 A C 2.366 180.054 177.584 0.172 0.000 1.181 238 A CA 3.356 55.472 52.037 0.133 0.000 0.623 238 A CB -0.654 18.397 19.000 0.085 0.000 0.818 238 A HN 0.146 8.365 8.150 0.115 0.000 0.443 239 T N 2.415 117.097 114.554 0.213 0.000 2.737 239 T HA -0.331 4.110 4.350 0.152 0.000 0.265 239 T C 2.118 177.002 174.700 0.306 0.000 1.038 239 T CA 5.566 67.807 62.100 0.235 0.000 1.144 239 T CB -0.064 68.961 68.868 0.262 0.000 0.866 239 T HN 0.011 8.369 8.240 0.198 0.000 0.434 240 Y N 0.979 121.375 120.300 0.161 0.000 2.200 240 Y HA -0.273 4.385 4.550 0.181 0.000 0.290 240 Y C 2.367 178.464 175.900 0.328 0.000 1.137 240 Y CA 2.986 61.227 58.100 0.237 0.000 1.163 240 Y CB -0.601 37.974 38.460 0.192 0.000 0.988 240 Y HN 0.322 8.893 8.280 0.677 0.115 0.518 241 R N -1.536 119.251 120.500 0.478 0.000 2.073 241 R HA -0.484 3.945 4.340 0.149 0.000 0.234 241 R C 2.151 178.519 176.300 0.113 0.000 1.134 241 R CA 4.250 60.486 56.100 0.227 0.000 0.952 241 R CB -0.348 30.035 30.300 0.138 0.000 0.850 241 R HN 0.640 9.077 8.270 0.472 0.116 0.433 242 R N 0.023 120.594 120.500 0.118 0.000 2.081 242 R HA -0.256 4.110 4.340 0.044 0.000 0.235 242 R C 1.969 178.298 176.300 0.048 0.000 1.131 242 R CA 3.208 59.348 56.100 0.066 0.000 0.960 242 R CB -0.103 30.237 30.300 0.066 0.000 0.856 242 R HN 0.141 8.396 8.270 0.159 0.111 0.436 243 A N -1.898 120.956 122.820 0.058 0.000 1.908 243 A HA -0.296 4.025 4.320 0.001 0.000 0.218 243 A C 1.664 179.256 177.584 0.014 0.000 1.181 243 A CA 3.040 55.084 52.037 0.012 0.000 0.627 243 A CB -0.781 18.191 19.000 -0.048 0.000 0.818 243 A HN 0.156 8.254 8.150 0.095 0.109 0.445 244 A N -2.146 120.698 122.820 0.040 0.000 1.898 244 A HA -0.400 3.928 4.320 0.012 0.000 0.216 244 A C 2.172 179.750 177.584 -0.010 0.000 1.181 244 A CA 2.700 54.745 52.037 0.014 0.000 0.620 244 A CB -0.559 18.437 19.000 -0.006 0.000 0.819 244 A HN -0.163 7.943 8.150 0.084 0.094 0.442 245 Q N -1.562 118.234 119.800 -0.007 0.000 2.119 245 Q HA -0.390 3.935 4.340 -0.024 0.000 0.201 245 Q C 2.185 178.180 176.000 -0.007 0.000 0.972 245 Q CA 3.043 58.838 55.803 -0.013 0.000 0.847 245 Q CB -0.126 28.607 28.738 -0.008 0.000 0.903 245 Q HN -0.234 7.955 8.270 0.007 0.085 0.433 246 D N 0.311 120.711 120.400 -0.001 0.000 2.104 246 D HA -0.293 4.346 4.640 -0.001 0.000 0.194 246 D C 1.815 178.111 176.300 -0.006 0.000 0.994 246 D CA 3.199 57.197 54.000 -0.002 0.000 0.830 246 D CB -0.227 40.573 40.800 -0.000 0.000 0.959 246 D HN 0.255 8.446 8.370 0.005 0.183 0.452 247 A N -2.044 120.772 122.820 -0.007 0.000 1.969 247 A HA -0.198 4.118 4.320 -0.008 0.000 0.218 247 A C 2.240 179.818 177.584 -0.011 0.000 1.169 247 A CA 2.861 54.893 52.037 -0.009 0.000 0.635 247 A CB -0.664 18.331 19.000 -0.008 0.000 0.810 247 A HN -0.413 7.734 8.150 -0.006 0.000 0.445 248 S N -0.895 114.797 115.700 -0.014 0.000 2.355 248 S HA -0.366 4.094 4.470 -0.017 0.000 0.222 248 S C 2.098 176.689 174.600 -0.014 0.000 1.031 248 S CA 3.278 61.467 58.200 -0.017 0.000 0.993 248 S CB 0.045 63.231 63.200 -0.024 0.000 0.859 248 S HN -0.335 7.819 8.310 -0.014 0.147 0.453 249 R N -0.540 119.953 120.500 -0.012 0.000 2.092 249 R HA -0.327 4.007 4.340 -0.010 0.000 0.231 249 R C 1.566 177.861 176.300 -0.008 0.000 1.119 249 R CA 3.150 59.245 56.100 -0.009 0.000 0.970 249 R CB 0.054 30.350 30.300 -0.007 0.000 0.864 249 R HN 0.163 8.316 8.270 -0.011 0.110 0.440 250 D N -2.566 117.830 120.400 -0.007 0.000 2.144 250 D HA -0.129 4.508 4.640 -0.005 0.000 0.200 250 D C 0.981 177.277 176.300 -0.006 0.000 0.978 250 D CA 2.599 56.595 54.000 -0.006 0.000 0.833 250 D CB 0.558 41.355 40.800 -0.006 0.000 0.961 250 D HN -0.356 7.819 8.370 -0.008 0.190 0.470 251 E N -2.462 117.734 120.200 -0.008 0.000 2.474 251 E HA -0.003 4.343 4.350 -0.007 0.000 0.195 251 E C 0.519 177.114 176.600 -0.009 0.000 1.039 251 E CA -0.937 55.459 56.400 -0.008 0.000 0.881 251 E CB 0.453 30.148 29.700 -0.008 0.000 0.970 251 E HN -0.286 7.872 8.360 -0.009 0.197 0.486 252 K N -0.713 119.681 120.400 -0.009 0.000 2.396 252 K HA -0.299 4.037 4.320 -0.012 -0.024 0.263 252 K C 1.165 177.759 176.600 -0.009 0.000 0.983 252 K CA 1.226 57.507 56.287 -0.010 0.000 0.887 252 K CB 0.552 33.047 32.500 -0.009 0.000 0.940 252 K HN -0.331 7.718 8.250 -0.009 0.196 0.531 253 G N -3.599 105.195 108.800 -0.010 0.000 2.501 253 G HA2 -0.263 3.762 3.960 -0.009 0.000 0.220 253 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.220 253 G C 0.323 175.219 174.900 -0.007 0.000 1.114 253 G CA 1.623 46.717 45.100 -0.009 0.000 0.757 253 G HN 0.451 8.735 8.290 -0.010 0.000 0.559 254 A N 0.470 123.286 122.820 -0.007 0.000 1.861 254 A HA -0.261 4.056 4.320 -0.005 0.000 0.214 254 A C 1.192 178.773 177.584 -0.005 0.000 1.322 254 A CA 2.818 54.851 52.037 -0.006 0.000 0.601 254 A CB -0.722 18.275 19.000 -0.005 0.000 0.966 254 A HN -0.174 7.930 8.150 -0.007 0.042 0.471 255 T N -0.542 114.009 114.554 -0.005 0.000 2.572 255 T HA -0.469 3.879 4.350 -0.004 0.000 0.258 255 T C 2.417 177.114 174.700 -0.004 0.000 1.154 255 T CA 3.328 65.425 62.100 -0.004 0.000 1.157 255 T CB -0.737 68.129 68.868 -0.004 0.000 0.856 255 T HN 0.227 8.464 8.240 -0.005 0.000 0.443 256 N N 3.423 122.120 118.700 -0.005 0.000 2.013 256 N HA -0.343 4.395 4.740 -0.004 0.000 0.195 256 N C 1.615 177.122 175.510 -0.004 0.000 1.051 256 N CA 2.616 55.663 53.050 -0.005 0.000 0.851 256 N CB -1.373 37.111 38.487 -0.005 0.000 1.044 256 N HN -0.403 7.974 8.380 -0.005 0.000 0.422 257 A N -1.954 120.863 122.820 -0.005 0.000 2.276 257 A HA 0.140 4.458 4.320 -0.004 0.000 0.212 257 A C 0.294 177.875 177.584 -0.004 0.000 1.230 257 A CA 0.505 52.539 52.037 -0.004 0.000 0.844 257 A CB -1.143 17.854 19.000 -0.005 0.000 0.860 257 A HN -0.619 7.528 8.150 -0.005 0.000 0.486 258 A N -2.091 120.726 122.820 -0.004 0.000 2.415 258 A HA 0.201 4.519 4.320 -0.003 0.000 0.248 258 A C 0.812 178.395 177.584 -0.003 0.000 1.299 258 A CA -0.006 52.029 52.037 -0.003 0.000 0.899 258 A CB -0.320 18.678 19.000 -0.003 0.000 0.997 258 A HN -0.003 7.913 8.150 -0.004 0.232 0.506 259 D N 1.309 121.707 120.400 -0.003 0.000 2.144 259 D HA -0.220 4.418 4.640 -0.002 0.000 0.199 259 D C 1.616 177.915 176.300 -0.002 0.000 0.984 259 D CA 2.734 56.733 54.000 -0.002 0.000 0.834 259 D CB -0.279 40.520 40.800 -0.002 0.000 0.955 259 D HN -0.155 8.129 8.370 -0.003 0.085 0.465 260 G N -0.961 107.838 108.800 -0.002 0.000 2.920 260 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.208 260 G HA3 -0.118 3.840 3.960 -0.002 0.000 0.208 260 G C -0.060 174.839 174.900 -0.002 0.000 1.159 260 G CA -0.373 44.726 45.100 -0.002 0.000 0.784 260 G HN 0.114 8.391 8.290 -0.003 0.011 0.535 261 A N 0.000 122.819 122.820 -0.002 0.000 2.254 261 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 261 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 261 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 261 A HN 0.000 7.910 8.150 -0.002 0.239 0.486