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 3o0t_1_A DATA FIRST_RESID -1 DATA SEQUENCE SMXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XDHYKAKATR DATA SEQUENCE HIFLIRHSQY HVDGSLEKDR TLTPLGREQA ELTGLRLASL GLKFNKIVHS DATA SEQUENCE SMTRAIETTD IISRHLPGVC KVSTDLLREG APIEXXXXXX XXXPEAVQYY DATA SEQUENCE EDGARIEAAF RNYIHRADAR QEEDSYEIFI CHANVIRYIV CRALQFPPEG DATA SEQUENCE WLRLSLNNGS ITHLVIRPNG RVALRTLGDT GFMPPDKITR S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 -1 S C 0.000 174.555 174.600 -0.075 0.000 1.055 -1 S CA 0.000 58.129 58.200 -0.118 0.000 1.107 -1 S CB 0.000 63.143 63.200 -0.095 0.000 0.593 91 H N -0.596 118.588 119.070 0.189 0.000 2.770 91 H HA -0.248 4.220 4.556 -0.148 0.000 0.309 91 H C -1.027 174.418 175.328 0.195 0.000 1.206 91 H CA 0.828 56.980 56.048 0.173 0.000 1.147 91 H CB -2.064 27.801 29.762 0.171 0.000 1.422 91 H HN 0.452 8.732 8.280 -0.000 0.000 0.420 92 Y N 0.621 120.940 120.300 0.031 0.000 2.373 92 Y HA 0.499 5.050 4.550 0.002 0.000 0.336 92 Y C -0.661 175.195 175.900 -0.074 0.000 0.979 92 Y CA -1.008 57.030 58.100 -0.103 0.000 1.080 92 Y CB 1.535 39.866 38.460 -0.215 0.000 1.190 92 Y HN 0.206 8.486 8.280 -0.000 0.000 0.446 93 K N 5.328 125.460 120.400 -0.447 0.000 2.687 93 K HA 0.786 5.035 4.320 -0.118 0.000 0.249 93 K C -1.820 174.500 176.600 -0.468 0.000 0.994 93 K CA -0.418 55.696 56.287 -0.288 0.000 0.913 93 K CB 0.822 33.241 32.500 -0.134 0.000 1.202 93 K HN 0.747 8.997 8.250 -0.000 0.000 0.460 94 A N 3.129 125.697 122.820 -0.420 0.000 2.288 94 A HA 0.447 4.697 4.320 -0.118 0.000 0.328 94 A C 0.105 177.615 177.584 -0.123 0.000 1.123 94 A CA -0.610 51.242 52.037 -0.309 0.000 0.861 94 A CB 1.020 19.895 19.000 -0.207 0.000 1.272 94 A HN 0.840 8.990 8.150 -0.000 0.000 0.490 95 K N -0.315 120.033 120.400 -0.085 0.000 2.361 95 K HA 0.398 4.647 4.320 -0.118 0.000 0.196 95 K C 0.409 176.999 176.600 -0.017 0.000 1.039 95 K CA 1.008 57.269 56.287 -0.044 0.000 1.001 95 K CB 0.307 32.785 32.500 -0.036 0.000 0.795 95 K HN 0.750 9.000 8.250 -0.000 0.000 0.495 96 A N -0.002 122.812 122.820 -0.010 0.000 2.557 96 A HA 0.433 4.682 4.320 -0.118 0.000 0.292 96 A C -0.882 176.706 177.584 0.006 0.000 1.139 96 A CA -0.763 51.276 52.037 0.005 0.000 0.665 96 A CB 0.831 19.838 19.000 0.011 0.000 1.285 96 A HN -0.036 8.114 8.150 -0.000 0.000 0.433 97 T N 1.193 115.745 114.554 -0.004 0.000 2.918 97 T HA 0.462 4.741 4.350 -0.118 0.000 0.302 97 T C -0.015 174.634 174.700 -0.086 0.000 1.045 97 T CA 0.277 62.347 62.100 -0.051 0.000 1.114 97 T CB 0.103 68.935 68.868 -0.059 0.000 0.965 97 T HN 0.482 8.722 8.240 -0.000 0.000 0.540 98 R N 1.692 122.106 120.500 -0.143 0.000 2.480 98 R HA 0.306 4.576 4.340 -0.118 0.000 0.306 98 R C -0.627 175.529 176.300 -0.240 0.000 0.958 98 R CA -0.741 55.291 56.100 -0.113 0.000 0.861 98 R CB 1.247 31.548 30.300 0.001 0.000 1.171 98 R HN 0.686 8.956 8.270 -0.000 0.000 0.445 99 H N 4.041 123.028 119.070 -0.139 0.000 2.552 99 H HA 0.298 4.785 4.556 -0.115 0.000 0.311 99 H C -0.155 175.164 175.328 -0.015 0.000 1.071 99 H CA -0.421 55.585 56.048 -0.071 0.000 1.307 99 H CB 1.550 31.317 29.762 0.009 0.000 1.416 99 H HN 0.217 8.497 8.280 -0.000 0.000 0.464 100 I N 4.837 125.397 120.570 -0.017 0.000 2.362 100 I HA 0.164 4.263 4.170 -0.118 0.000 0.289 100 I C -0.380 175.696 176.117 -0.068 0.000 0.994 100 I CA -0.627 60.744 61.300 0.119 0.000 1.158 100 I CB 0.442 38.498 38.000 0.093 0.000 1.315 100 I HN 0.370 8.580 8.210 -0.000 0.000 0.451 101 F N 6.538 126.670 119.950 0.304 0.000 2.347 101 F HA 0.462 4.919 4.527 -0.117 0.000 0.366 101 F C 0.133 176.061 175.800 0.214 0.000 1.107 101 F CA -0.505 57.610 58.000 0.192 0.000 1.058 101 F CB 1.111 40.151 39.000 0.065 0.000 1.236 101 F HN 0.152 8.452 8.300 -0.000 0.000 0.456 102 L N 5.390 126.794 121.223 0.301 0.000 2.272 102 L HA 0.487 4.756 4.340 -0.118 0.000 0.289 102 L C -0.705 176.272 176.870 0.178 0.000 1.032 102 L CA -0.607 54.376 54.840 0.238 0.000 0.810 102 L CB 0.928 43.083 42.059 0.159 0.000 1.205 102 L HN 0.383 8.613 8.230 -0.000 0.000 0.422 103 I N 3.853 124.503 120.570 0.133 0.000 2.389 103 I HA 0.362 4.461 4.170 -0.118 0.000 0.288 103 I C 0.211 176.337 176.117 0.015 0.000 0.999 103 I CA -0.508 60.834 61.300 0.071 0.000 1.129 103 I CB 1.608 39.623 38.000 0.025 0.000 1.288 103 I HN 0.628 8.838 8.210 -0.000 0.000 0.444 104 R N 4.986 125.476 120.500 -0.017 0.000 2.390 104 R HA 0.218 4.487 4.340 -0.118 0.000 0.291 104 R C -0.000 176.191 176.300 -0.181 0.000 1.070 104 R CA -0.452 55.576 56.100 -0.119 0.000 1.014 104 R CB 0.589 30.799 30.300 -0.150 0.000 1.007 104 R HN 0.731 9.001 8.270 -0.000 0.000 0.466 105 H N 0.815 119.797 119.070 -0.146 0.000 3.058 105 H HA 0.026 4.511 4.556 -0.119 0.000 0.347 105 H C -0.471 174.834 175.328 -0.039 0.000 1.087 105 H CA -0.049 55.918 56.048 -0.136 0.000 1.375 105 H CB 0.445 30.058 29.762 -0.247 0.000 1.312 105 H HN 0.343 8.623 8.280 -0.000 0.000 0.607 106 S N 0.770 116.533 115.700 0.106 0.000 2.645 106 S HA 0.024 4.423 4.470 -0.118 0.000 0.266 106 S C 0.051 174.817 174.600 0.278 0.000 1.258 106 S CA -0.836 57.427 58.200 0.104 0.000 0.990 106 S CB 0.642 63.891 63.200 0.081 0.000 0.967 106 S HN 0.769 9.079 8.310 -0.000 0.000 0.556 107 Q N 1.116 121.018 119.800 0.170 0.000 2.283 107 Q HA 0.091 4.360 4.340 -0.118 0.000 0.301 107 Q C -1.099 175.031 176.000 0.217 0.000 1.063 107 Q CA 0.575 56.493 55.803 0.192 0.000 0.952 107 Q CB 0.140 28.910 28.738 0.053 0.000 1.166 107 Q HN 0.677 8.947 8.270 -0.000 0.000 0.381 108 Y N 0.469 120.769 120.300 -0.000 0.000 2.677 108 Y HA 0.402 4.881 4.550 -0.117 0.000 0.334 108 Y C -1.057 174.758 175.900 -0.143 0.000 1.154 108 Y CA -1.352 56.694 58.100 -0.091 0.000 1.070 108 Y CB 1.020 39.464 38.460 -0.027 0.000 1.294 108 Y HN 0.473 8.753 8.280 -0.000 0.000 0.475 109 H N 2.769 121.769 119.070 -0.117 0.000 3.109 109 H HA 0.157 4.642 4.556 -0.118 0.000 0.266 109 H C 1.311 176.412 175.328 -0.379 0.000 1.334 109 H CA 0.576 56.504 56.048 -0.200 0.000 1.456 109 H CB 1.328 31.071 29.762 -0.032 0.000 1.587 109 H HN 0.793 9.073 8.280 -0.000 0.000 0.500 110 V N 0.941 120.536 119.914 -0.532 0.000 2.515 110 V HA -0.190 3.859 4.120 -0.118 0.000 0.250 110 V C 1.632 177.660 176.094 -0.111 0.000 1.058 110 V CA 1.709 63.720 62.300 -0.482 0.000 1.064 110 V CB -0.120 31.469 31.823 -0.389 0.000 0.675 110 V HN 0.550 8.740 8.190 -0.000 0.000 0.461 111 D N 1.748 122.112 120.400 -0.061 0.000 2.363 111 D HA 0.091 4.660 4.640 -0.118 0.000 0.226 111 D C 1.221 177.530 176.300 0.014 0.000 1.020 111 D CA 0.588 54.583 54.000 -0.009 0.000 0.892 111 D CB -0.822 39.975 40.800 -0.005 0.000 0.900 111 D HN 0.587 8.957 8.370 -0.000 0.000 0.531 112 G N 0.796 109.621 108.800 0.042 0.000 2.265 112 G HA2 0.153 4.042 3.960 -0.118 0.000 0.240 112 G HA3 0.153 4.042 3.960 -0.118 0.000 0.240 112 G C 1.172 176.092 174.900 0.034 0.000 1.270 112 G CA 0.332 45.458 45.100 0.043 0.000 0.901 112 G HN 0.236 8.526 8.290 -0.000 0.000 0.507 113 S N 2.458 118.167 115.700 0.015 0.000 2.371 113 S HA 0.068 4.467 4.470 -0.118 0.000 0.224 113 S C 1.036 175.646 174.600 0.016 0.000 1.029 113 S CA 0.382 58.590 58.200 0.012 0.000 0.978 113 S CB -0.276 62.926 63.200 0.002 0.000 0.833 113 S HN 0.409 8.719 8.310 -0.000 0.000 0.466 114 L N 0.669 121.902 121.223 0.017 0.000 2.331 114 L HA 0.515 4.784 4.340 -0.118 0.000 0.268 114 L C 1.787 178.675 176.870 0.030 0.000 1.015 114 L CA -0.782 54.069 54.840 0.018 0.000 0.807 114 L CB 0.436 42.502 42.059 0.011 0.000 1.293 114 L HN -0.062 8.168 8.230 -0.000 0.000 0.451 115 E N 1.215 121.430 120.200 0.024 0.000 2.085 115 E HA -0.222 4.057 4.350 -0.118 0.000 0.194 115 E C 1.793 178.414 176.600 0.034 0.000 0.994 115 E CA 1.838 58.254 56.400 0.027 0.000 0.801 115 E CB 0.062 29.767 29.700 0.007 0.000 0.743 115 E HN 0.644 9.004 8.360 -0.000 0.000 0.453 116 K N 0.380 120.795 120.400 0.026 0.000 2.211 116 K HA -0.143 4.106 4.320 -0.118 0.000 0.204 116 K C 1.216 177.838 176.600 0.037 0.000 1.047 116 K CA 1.797 58.100 56.287 0.027 0.000 0.935 116 K CB -0.030 32.480 32.500 0.017 0.000 0.728 116 K HN -0.039 8.211 8.250 -0.000 0.000 0.452 117 D N 0.960 121.385 120.400 0.041 0.000 2.347 117 D HA -0.029 4.541 4.640 -0.118 0.000 0.213 117 D C 0.320 176.679 176.300 0.099 0.000 0.985 117 D CA 0.445 54.469 54.000 0.040 0.000 0.879 117 D CB 0.142 40.952 40.800 0.017 0.000 0.919 117 D HN 0.267 8.637 8.370 -0.000 0.000 0.526 118 R N 1.824 122.411 120.500 0.144 0.000 4.071 118 R HA 0.134 4.403 4.340 -0.118 0.000 0.220 118 R C 0.366 176.845 176.300 0.298 0.000 1.614 118 R CA -0.033 56.238 56.100 0.285 0.000 1.505 118 R CB -0.054 30.434 30.300 0.314 0.000 1.384 118 R HN 0.084 8.354 8.270 -0.000 0.000 0.758 119 T N -2.197 112.530 114.554 0.289 0.000 2.912 119 T HA 0.398 4.677 4.350 -0.118 0.000 0.280 119 T C 0.755 175.632 174.700 0.296 0.000 0.989 119 T CA -0.873 61.368 62.100 0.234 0.000 0.995 119 T CB 1.237 70.218 68.868 0.187 0.000 1.077 119 T HN 0.129 8.369 8.240 -0.000 0.000 0.531 120 L N 2.153 123.485 121.223 0.183 0.000 2.461 120 L HA 0.267 4.536 4.340 -0.118 0.000 0.272 120 L C 1.558 178.453 176.870 0.043 0.000 1.197 120 L CA -0.720 54.196 54.840 0.127 0.000 0.836 120 L CB 0.277 42.390 42.059 0.089 0.000 1.105 120 L HN 0.992 9.222 8.230 -0.000 0.000 0.477 121 T N -0.856 113.609 114.554 -0.147 0.000 2.788 121 T HA 0.168 4.447 4.350 -0.118 0.000 0.287 121 T C -1.842 172.849 174.700 -0.014 0.000 1.007 121 T CA -1.526 60.437 62.100 -0.229 0.000 1.005 121 T CB 0.939 69.628 68.868 -0.298 0.000 1.012 121 T HN 0.362 8.602 8.240 -0.000 0.000 0.530 122 P HA -0.065 4.355 4.420 -0.000 0.000 0.215 122 P C 1.692 179.004 177.300 0.020 0.000 1.153 122 P CA 0.385 63.506 63.100 0.036 0.000 0.853 122 P CB -0.087 31.638 31.700 0.042 0.000 0.788 123 L N -0.288 120.937 121.223 0.003 0.000 2.083 123 L HA -0.010 4.259 4.340 -0.118 0.000 0.209 123 L C 2.236 179.115 176.870 0.014 0.000 1.083 123 L CA 2.280 57.123 54.840 0.005 0.000 0.752 123 L CB -1.661 40.395 42.059 -0.005 0.000 0.899 123 L HN -0.051 8.179 8.230 -0.000 0.000 0.433 124 G N -0.642 108.166 108.800 0.012 0.000 2.440 124 G HA2 -0.281 3.608 3.960 -0.118 0.000 0.218 124 G HA3 -0.281 3.608 3.960 -0.118 0.000 0.218 124 G C 1.752 176.679 174.900 0.045 0.000 1.154 124 G CA 0.868 45.992 45.100 0.040 0.000 0.767 124 G HN 0.418 8.708 8.290 -0.000 0.000 0.552 125 R N 0.314 120.838 120.500 0.040 0.000 2.075 125 R HA -0.014 4.255 4.340 -0.118 0.000 0.232 125 R C 2.535 178.860 176.300 0.041 0.000 1.126 125 R CA 1.295 57.420 56.100 0.041 0.000 0.963 125 R CB -0.298 30.026 30.300 0.041 0.000 0.858 125 R HN 0.475 8.745 8.270 -0.000 0.000 0.435 126 E N 0.790 121.012 120.200 0.037 0.000 2.085 126 E HA -0.245 4.034 4.350 -0.118 0.000 0.194 126 E C 2.126 178.752 176.600 0.044 0.000 0.994 126 E CA 1.258 57.681 56.400 0.038 0.000 0.801 126 E CB -0.014 29.705 29.700 0.030 0.000 0.743 126 E HN 0.422 8.782 8.360 -0.000 0.000 0.453 127 Q N 0.295 120.120 119.800 0.042 0.000 2.050 127 Q HA -0.145 4.124 4.340 -0.118 0.000 0.202 127 Q C 2.298 178.340 176.000 0.068 0.000 0.980 127 Q CA 1.377 57.214 55.803 0.056 0.000 0.840 127 Q CB -0.218 28.544 28.738 0.039 0.000 0.898 127 Q HN 0.248 8.518 8.270 -0.000 0.000 0.424 128 A N 1.112 123.959 122.820 0.045 0.000 1.908 128 A HA -0.289 3.960 4.320 -0.118 0.000 0.218 128 A C 1.964 179.546 177.584 -0.003 0.000 1.181 128 A CA 1.859 53.910 52.037 0.023 0.000 0.627 128 A CB -0.568 18.445 19.000 0.021 0.000 0.818 128 A HN 0.372 8.522 8.150 -0.000 0.000 0.445 129 E N 0.212 120.426 120.200 0.024 0.000 2.058 129 E HA -0.170 4.109 4.350 -0.118 0.000 0.194 129 E C 1.795 178.330 176.600 -0.108 0.000 0.997 129 E CA 1.561 57.972 56.400 0.019 0.000 0.801 129 E CB -0.468 29.279 29.700 0.078 0.000 0.746 129 E HN 0.585 8.945 8.360 -0.000 0.000 0.450 130 L N -0.013 121.204 121.223 -0.010 0.000 2.046 130 L HA -0.183 4.086 4.340 -0.118 0.000 0.208 130 L C 2.520 179.329 176.870 -0.103 0.000 1.077 130 L CA 1.797 56.661 54.840 0.039 0.000 0.747 130 L CB -0.616 41.576 42.059 0.222 0.000 0.896 130 L HN 0.223 8.453 8.230 -0.000 0.000 0.432 131 T N -0.658 113.864 114.554 -0.054 0.000 2.777 131 T HA -0.107 4.172 4.350 -0.118 0.000 0.266 131 T C 1.854 176.297 174.700 -0.429 0.000 1.040 131 T CA 1.210 63.139 62.100 -0.284 0.000 1.141 131 T CB -0.570 68.282 68.868 -0.025 0.000 0.868 131 T HN 0.554 8.794 8.240 -0.000 0.000 0.444 132 G N 1.513 110.077 108.800 -0.393 0.000 2.446 132 G HA2 -0.149 3.740 3.960 -0.118 0.000 0.217 132 G HA3 -0.149 3.740 3.960 -0.118 0.000 0.217 132 G C 1.501 175.957 174.900 -0.740 0.000 1.168 132 G CA 0.538 45.309 45.100 -0.549 0.000 0.771 132 G HN 0.425 8.715 8.290 -0.000 0.000 0.551 133 L N -0.188 120.538 121.223 -0.828 0.000 2.012 133 L HA -0.118 4.152 4.340 -0.118 0.000 0.210 133 L C 2.944 179.606 176.870 -0.347 0.000 1.073 133 L CA 1.553 56.106 54.840 -0.478 0.000 0.748 133 L CB -0.309 41.581 42.059 -0.281 0.000 0.891 133 L HN 0.154 8.384 8.230 -0.000 0.000 0.431 134 R N 0.522 120.740 120.500 -0.470 0.000 2.070 134 R HA -0.138 4.131 4.340 -0.118 0.000 0.233 134 R C 2.164 178.242 176.300 -0.370 0.000 1.137 134 R CA 1.691 57.489 56.100 -0.504 0.000 0.945 134 R CB -0.862 28.795 30.300 -1.071 0.000 0.845 134 R HN 0.209 8.479 8.270 -0.000 0.000 0.430 135 L N -0.012 120.974 121.223 -0.397 0.000 2.043 135 L HA -0.172 4.097 4.340 -0.118 0.000 0.212 135 L C 2.466 179.287 176.870 -0.082 0.000 1.075 135 L CA 1.635 56.310 54.840 -0.276 0.000 0.752 135 L CB -0.616 41.197 42.059 -0.410 0.000 0.891 135 L HN 0.355 8.585 8.230 -0.000 0.000 0.432 136 A N -0.398 122.355 122.820 -0.111 0.000 2.019 136 A HA -0.186 4.063 4.320 -0.118 0.000 0.219 136 A C 2.450 179.996 177.584 -0.063 0.000 1.164 136 A CA 1.746 53.764 52.037 -0.031 0.000 0.644 136 A CB -0.577 18.428 19.000 0.007 0.000 0.805 136 A HN 0.530 8.680 8.150 -0.000 0.000 0.449 137 S N -0.374 115.265 115.700 -0.101 0.000 2.522 137 S HA 0.091 4.490 4.470 -0.118 0.000 0.227 137 S C 1.568 176.108 174.600 -0.101 0.000 0.986 137 S CA 0.729 58.874 58.200 -0.091 0.000 0.929 137 S CB -0.548 62.597 63.200 -0.092 0.000 0.769 137 S HN 0.467 8.777 8.310 -0.000 0.000 0.529 138 L N 1.034 122.182 121.223 -0.125 0.000 2.376 138 L HA 0.207 4.476 4.340 -0.118 0.000 0.219 138 L C 1.823 178.571 176.870 -0.203 0.000 1.133 138 L CA 0.459 55.210 54.840 -0.149 0.000 0.816 138 L CB -1.205 40.748 42.059 -0.177 0.000 0.933 138 L HN 0.585 8.815 8.230 -0.000 0.000 0.449 139 G N 1.220 109.892 108.800 -0.214 0.000 2.246 139 G HA2 -0.268 3.622 3.960 -0.118 0.000 0.273 139 G HA3 -0.268 3.622 3.960 -0.118 0.000 0.273 139 G C -0.146 174.527 174.900 -0.379 0.000 1.055 139 G CA -0.025 44.934 45.100 -0.234 0.000 0.851 139 G HN 0.249 8.539 8.290 -0.000 0.000 0.500 140 L N -0.558 120.315 121.223 -0.582 0.000 2.334 140 L HA 0.635 4.904 4.340 -0.118 0.000 0.276 140 L C 0.569 176.924 176.870 -0.857 0.000 1.014 140 L CA -1.178 53.096 54.840 -0.943 0.000 0.815 140 L CB 2.021 43.224 42.059 -1.426 0.000 1.268 140 L HN 0.071 8.301 8.230 -0.000 0.000 0.428 141 K N 2.850 122.862 120.400 -0.646 0.000 2.273 141 K HA 0.349 4.598 4.320 -0.118 0.000 0.287 141 K C -0.862 175.548 176.600 -0.317 0.000 1.089 141 K CA -0.355 55.719 56.287 -0.355 0.000 0.909 141 K CB -0.397 32.008 32.500 -0.159 0.000 1.123 141 K HN 0.298 8.548 8.250 -0.000 0.000 0.473 142 F N 4.070 123.991 119.950 -0.049 0.000 2.456 142 F HA 0.260 4.715 4.527 -0.120 0.000 0.358 142 F C 1.481 177.302 175.800 0.035 0.000 1.095 142 F CA -0.347 57.662 58.000 0.015 0.000 1.216 142 F CB 0.848 39.810 39.000 -0.063 0.000 1.125 142 F HN 0.642 8.942 8.300 -0.000 0.000 0.549 143 N N 1.830 120.686 118.700 0.260 0.000 2.216 143 N HA -0.074 4.596 4.740 -0.118 0.000 0.183 143 N C -0.477 175.090 175.510 0.094 0.000 1.017 143 N CA 1.088 54.229 53.050 0.152 0.000 0.861 143 N CB 0.019 38.595 38.487 0.148 0.000 0.986 143 N HN 0.605 8.985 8.380 -0.000 0.000 0.428 144 K N -1.086 119.352 120.400 0.064 0.000 2.625 144 K HA 0.373 4.622 4.320 -0.118 0.000 0.284 144 K C -1.776 174.740 176.600 -0.139 0.000 0.984 144 K CA -0.640 55.628 56.287 -0.031 0.000 0.865 144 K CB 0.993 33.461 32.500 -0.053 0.000 1.468 144 K HN -0.190 8.060 8.250 -0.000 0.000 0.407 145 I N 2.245 122.725 120.570 -0.151 0.000 2.390 145 I HA 0.241 4.340 4.170 -0.118 0.000 0.283 145 I C -0.831 175.174 176.117 -0.186 0.000 1.016 145 I CA -1.194 59.980 61.300 -0.209 0.000 1.151 145 I CB 1.900 39.818 38.000 -0.137 0.000 1.293 145 I HN 0.308 8.518 8.210 -0.000 0.000 0.458 146 V N 6.337 126.025 119.914 -0.377 0.000 2.407 146 V HA 0.348 4.398 4.120 -0.118 0.000 0.278 146 V C -0.396 175.621 176.094 -0.127 0.000 1.037 146 V CA -0.471 61.636 62.300 -0.321 0.000 0.900 146 V CB 0.965 32.462 31.823 -0.542 0.000 0.983 146 V HN 0.812 9.002 8.190 -0.000 0.000 0.459 147 H N 1.377 120.383 119.070 -0.107 0.000 2.768 147 H HA 0.672 5.157 4.556 -0.118 0.000 0.371 147 H C -0.125 175.207 175.328 0.006 0.000 1.151 147 H CA -0.649 55.371 56.048 -0.047 0.000 1.165 147 H CB 1.353 31.080 29.762 -0.058 0.000 1.722 147 H HN 0.541 8.821 8.280 -0.000 0.000 0.543 148 S N 1.008 116.779 115.700 0.118 0.000 2.558 148 S HA -0.026 4.373 4.470 -0.118 0.000 0.291 148 S C 1.053 175.758 174.600 0.174 0.000 1.306 148 S CA 0.099 58.388 58.200 0.149 0.000 1.056 148 S CB -0.044 63.349 63.200 0.321 0.000 0.836 148 S HN 0.875 9.185 8.310 -0.000 0.000 0.504 149 S N 4.673 120.425 115.700 0.086 0.000 2.603 149 S HA 0.181 4.580 4.470 -0.118 0.000 0.220 149 S C 0.723 175.376 174.600 0.087 0.000 0.967 149 S CA -0.134 58.117 58.200 0.086 0.000 0.920 149 S CB -0.441 62.773 63.200 0.024 0.000 0.773 149 S HN 0.740 9.050 8.310 -0.000 0.000 0.529 150 M N 2.005 121.665 119.600 0.100 0.000 2.245 150 M HA 0.108 4.517 4.480 -0.118 0.000 0.344 150 M C 1.560 177.876 176.300 0.028 0.000 1.170 150 M CA 0.026 55.353 55.300 0.044 0.000 1.135 150 M CB 0.324 32.943 32.600 0.032 0.000 1.574 150 M HN 0.127 8.417 8.290 -0.000 0.000 0.452 151 T N 1.806 116.355 114.554 -0.008 0.000 2.665 151 T HA -0.217 4.063 4.350 -0.118 0.000 0.268 151 T C 1.720 176.389 174.700 -0.051 0.000 1.035 151 T CA 1.960 64.053 62.100 -0.012 0.000 1.151 151 T CB -0.336 68.535 68.868 0.004 0.000 0.862 151 T HN 0.693 8.933 8.240 -0.000 0.000 0.438 152 R N 1.710 122.118 120.500 -0.153 0.000 2.105 152 R HA 0.064 4.333 4.340 -0.118 0.000 0.239 152 R C 2.537 178.751 176.300 -0.144 0.000 1.135 152 R CA 1.485 57.440 56.100 -0.241 0.000 0.967 152 R CB -0.644 29.203 30.300 -0.755 0.000 0.861 152 R HN 0.383 8.653 8.270 -0.000 0.000 0.442 153 A N 1.746 124.501 122.820 -0.109 0.000 1.929 153 A HA 0.037 4.286 4.320 -0.118 0.000 0.216 153 A C 2.261 179.810 177.584 -0.057 0.000 1.176 153 A CA 0.886 52.884 52.037 -0.066 0.000 0.628 153 A CB -0.328 18.668 19.000 -0.007 0.000 0.816 153 A HN 0.272 8.422 8.150 -0.000 0.000 0.444 154 I N -0.144 120.406 120.570 -0.033 0.000 2.127 154 I HA -0.283 3.816 4.170 -0.118 0.000 0.241 154 I C 2.493 178.525 176.117 -0.143 0.000 1.075 154 I CA 1.742 62.966 61.300 -0.127 0.000 1.334 154 I CB -0.465 37.522 38.000 -0.021 0.000 1.040 154 I HN 0.422 8.632 8.210 -0.000 0.000 0.405 155 E N 0.169 120.327 120.200 -0.070 0.000 2.106 155 E HA -0.163 4.116 4.350 -0.118 0.000 0.192 155 E C 2.152 178.722 176.600 -0.050 0.000 0.984 155 E CA 1.697 58.069 56.400 -0.047 0.000 0.806 155 E CB -0.161 29.537 29.700 -0.005 0.000 0.750 155 E HN 0.494 8.854 8.360 -0.000 0.000 0.458 156 T N 0.729 115.253 114.554 -0.050 0.000 2.746 156 T HA -0.134 4.145 4.350 -0.118 0.000 0.267 156 T C 2.044 176.695 174.700 -0.082 0.000 1.039 156 T CA 1.712 63.788 62.100 -0.040 0.000 1.142 156 T CB -0.393 68.463 68.868 -0.020 0.000 0.866 156 T HN 0.177 8.417 8.240 -0.000 0.000 0.444 157 T N 2.096 116.561 114.554 -0.147 0.000 2.708 157 T HA -0.129 4.150 4.350 -0.118 0.000 0.266 157 T C 1.716 176.317 174.700 -0.166 0.000 1.037 157 T CA 1.266 63.242 62.100 -0.207 0.000 1.146 157 T CB -0.537 68.075 68.868 -0.426 0.000 0.865 157 T HN 0.324 8.564 8.240 -0.000 0.000 0.435 158 D N 0.952 121.259 120.400 -0.155 0.000 2.133 158 D HA -0.082 4.487 4.640 -0.118 0.000 0.192 158 D C 2.012 178.278 176.300 -0.058 0.000 1.001 158 D CA 1.028 54.968 54.000 -0.099 0.000 0.844 158 D CB -0.334 40.423 40.800 -0.072 0.000 0.944 158 D HN 0.379 8.749 8.370 -0.000 0.000 0.447 159 I N 0.264 120.813 120.570 -0.034 0.000 2.277 159 I HA -0.156 3.943 4.170 -0.118 0.000 0.243 159 I C 2.447 178.607 176.117 0.073 0.000 1.094 159 I CA 0.449 61.759 61.300 0.017 0.000 1.393 159 I CB -0.021 37.997 38.000 0.029 0.000 1.078 159 I HN -0.068 8.142 8.210 -0.000 0.000 0.417 160 I N 0.690 121.267 120.570 0.013 0.000 2.163 160 I HA -0.318 3.781 4.170 -0.118 0.000 0.243 160 I C 2.722 178.847 176.117 0.014 0.000 1.085 160 I CA 1.884 63.183 61.300 -0.002 0.000 1.347 160 I CB -0.441 37.495 38.000 -0.107 0.000 1.044 160 I HN 0.314 8.524 8.210 -0.000 0.000 0.408 161 S N 0.949 116.621 115.700 -0.046 0.000 2.419 161 S HA -0.157 4.242 4.470 -0.118 0.000 0.233 161 S C 1.968 176.544 174.600 -0.039 0.000 1.016 161 S CA 0.687 58.853 58.200 -0.056 0.000 0.974 161 S CB -0.559 62.594 63.200 -0.078 0.000 0.786 161 S HN 0.410 8.720 8.310 -0.000 0.000 0.492 162 R N 0.510 120.980 120.500 -0.050 0.000 2.200 162 R HA -0.033 4.236 4.340 -0.118 0.000 0.234 162 R C 1.660 177.844 176.300 -0.193 0.000 1.127 162 R CA 1.400 57.424 56.100 -0.127 0.000 0.989 162 R CB -0.463 29.732 30.300 -0.175 0.000 0.869 162 R HN 0.670 8.940 8.270 -0.000 0.000 0.459 163 H N -0.582 118.449 119.070 -0.066 0.000 2.553 163 H HA 0.163 4.648 4.556 -0.118 0.000 0.265 163 H C 0.463 175.758 175.328 -0.055 0.000 0.964 163 H CA 0.505 56.514 56.048 -0.064 0.000 1.156 163 H CB 0.535 30.248 29.762 -0.082 0.000 1.411 163 H HN 0.054 8.334 8.280 -0.000 0.000 0.558 164 L N 3.220 124.468 121.223 0.041 0.000 2.732 164 L HA 0.260 4.529 4.340 -0.118 0.000 0.246 164 L C -2.412 174.463 176.870 0.009 0.000 1.407 164 L CA -1.607 53.252 54.840 0.032 0.000 0.861 164 L CB 1.218 43.281 42.059 0.006 0.000 1.161 164 L HN -0.106 8.124 8.230 -0.000 0.000 0.510 165 P HA 0.077 4.497 4.420 -0.000 0.000 0.268 165 P C 0.902 178.200 177.300 -0.004 0.000 1.205 165 P CA 0.821 63.913 63.100 -0.015 0.000 0.771 165 P CB 1.276 32.962 31.700 -0.023 0.000 0.858 166 G N 1.232 110.029 108.800 -0.005 0.000 2.159 166 G HA2 -0.189 3.700 3.960 -0.118 0.000 0.256 166 G HA3 -0.189 3.700 3.960 -0.118 0.000 0.256 166 G C -0.107 174.800 174.900 0.012 0.000 0.977 166 G CA -0.098 45.002 45.100 0.001 0.000 0.652 166 G HN 0.544 8.834 8.290 -0.000 0.000 0.531 167 V N 1.994 121.916 119.914 0.014 0.000 2.383 167 V HA 0.451 4.501 4.120 -0.118 0.000 0.275 167 V C 1.571 177.668 176.094 0.006 0.000 1.036 167 V CA -0.705 61.609 62.300 0.024 0.000 0.889 167 V CB 0.844 32.688 31.823 0.035 0.000 0.985 167 V HN 0.947 9.137 8.190 -0.000 0.000 0.459 168 C N 4.933 124.239 119.300 0.010 0.000 2.676 168 C HA 0.527 4.916 4.460 -0.118 0.000 0.416 168 C C 0.135 175.125 174.990 0.001 0.000 1.299 168 C CA -0.979 58.043 59.018 0.007 0.000 2.048 168 C CB -0.691 27.057 27.740 0.013 0.000 2.713 168 C HN 0.897 9.127 8.230 -0.000 0.000 0.624 169 K N 2.525 122.936 120.400 0.018 0.000 2.270 169 K HA 0.742 4.991 4.320 -0.118 0.000 0.255 169 K C -1.315 175.321 176.600 0.061 0.000 0.936 169 K CA -0.586 55.734 56.287 0.055 0.000 0.809 169 K CB 2.148 34.697 32.500 0.083 0.000 1.131 169 K HN 0.580 8.830 8.250 -0.000 0.000 0.427 170 V N 1.509 121.438 119.914 0.025 0.000 2.525 170 V HA 0.206 4.255 4.120 -0.118 0.000 0.299 170 V C -0.440 175.491 176.094 -0.272 0.000 1.034 170 V CA -0.762 61.504 62.300 -0.057 0.000 0.863 170 V CB 1.757 33.557 31.823 -0.038 0.000 0.999 170 V HN 0.818 9.008 8.190 -0.000 0.000 0.423 171 S N 3.419 118.923 115.700 -0.327 0.000 2.537 171 S HA 0.659 5.058 4.470 -0.118 0.000 0.275 171 S C -0.197 174.248 174.600 -0.259 0.000 1.272 171 S CA -0.088 57.749 58.200 -0.605 0.000 1.050 171 S CB 1.125 64.144 63.200 -0.301 0.000 0.961 171 S HN 0.951 9.261 8.310 -0.000 0.000 0.496 172 T N 2.743 117.169 114.554 -0.213 0.000 2.952 172 T HA 0.324 4.603 4.350 -0.118 0.000 0.305 172 T C -0.057 174.643 174.700 0.000 0.000 1.064 172 T CA -0.699 61.385 62.100 -0.027 0.000 1.008 172 T CB 1.205 70.138 68.868 0.109 0.000 1.078 172 T HN 0.563 8.803 8.240 -0.000 0.000 0.459 173 D N 3.004 123.415 120.400 0.018 0.000 2.264 173 D HA 0.028 4.597 4.640 -0.118 0.000 0.208 173 D C 2.050 178.368 176.300 0.031 0.000 0.966 173 D CA 0.704 54.714 54.000 0.015 0.000 0.864 173 D CB 0.175 40.978 40.800 0.005 0.000 0.933 173 D HN 0.522 8.892 8.370 -0.000 0.000 0.499 174 L N -0.095 121.173 121.223 0.075 0.000 2.191 174 L HA -0.086 4.183 4.340 -0.118 0.000 0.212 174 L C 1.888 178.812 176.870 0.089 0.000 1.103 174 L CA 0.649 55.543 54.840 0.090 0.000 0.769 174 L CB -0.090 42.073 42.059 0.173 0.000 0.908 174 L HN 0.041 8.271 8.230 -0.000 0.000 0.438 175 L N -0.890 120.398 121.223 0.109 0.000 2.628 175 L HA 0.110 4.379 4.340 -0.118 0.000 0.229 175 L C 0.891 177.839 176.870 0.130 0.000 1.137 175 L CA -0.262 54.651 54.840 0.122 0.000 0.909 175 L CB -0.153 41.991 42.059 0.141 0.000 1.137 175 L HN 0.131 8.361 8.230 -0.000 0.000 0.470 176 R N 0.907 121.422 120.500 0.026 0.000 2.734 176 R HA 0.036 4.305 4.340 -0.118 0.000 0.266 176 R C 0.373 176.516 176.300 -0.262 0.000 1.044 176 R CA -0.309 55.716 56.100 -0.124 0.000 1.128 176 R CB 0.411 30.640 30.300 -0.119 0.000 1.010 176 R HN -0.074 8.196 8.270 -0.000 0.000 0.461 177 E N 0.621 120.454 120.200 -0.612 0.000 2.415 177 E HA 0.091 4.370 4.350 -0.118 0.000 0.262 177 E C -0.137 176.323 176.600 -0.234 0.000 1.038 177 E CA 0.326 56.470 56.400 -0.427 0.000 0.921 177 E CB 0.762 30.165 29.700 -0.496 0.000 0.950 177 E HN 0.613 8.973 8.360 -0.000 0.000 0.438 178 G N 1.965 110.666 108.800 -0.166 0.000 2.504 178 G HA2 0.541 4.430 3.960 -0.118 0.000 0.288 178 G HA3 0.541 4.430 3.960 -0.118 0.000 0.288 178 G C -0.562 174.237 174.900 -0.169 0.000 1.182 178 G CA -0.259 44.735 45.100 -0.176 0.000 0.894 178 G HN 0.755 9.045 8.290 -0.000 0.000 0.521 179 A N 1.410 124.056 122.820 -0.290 0.000 2.466 179 A HA 0.529 4.778 4.320 -0.118 0.000 0.238 179 A C -1.655 175.895 177.584 -0.057 0.000 1.074 179 A CA -0.722 51.100 52.037 -0.359 0.000 0.774 179 A CB -0.137 18.246 19.000 -1.028 0.000 1.015 179 A HN 0.546 8.696 8.150 -0.000 0.000 0.498 180 P HA 0.296 4.716 4.420 -0.000 0.000 0.271 180 P C 0.833 178.322 177.300 0.316 0.000 1.216 180 P CA 0.388 63.594 63.100 0.177 0.000 0.776 180 P CB 0.636 32.418 31.700 0.137 0.000 0.881 181 I N -0.038 120.692 120.570 0.266 0.000 2.584 181 I HA 0.097 4.196 4.170 -0.118 0.000 0.255 181 I C 1.304 177.518 176.117 0.161 0.000 1.145 181 I CA 1.750 63.211 61.300 0.268 0.000 1.462 181 I CB -1.475 36.728 38.000 0.339 0.000 1.102 181 I HN 0.571 8.781 8.210 -0.000 0.000 0.433 193 E N -0.125 120.147 120.200 0.120 0.000 2.319 193 E HA 0.639 4.919 4.350 -0.118 0.000 0.268 193 E C 0.843 177.475 176.600 0.052 0.000 1.050 193 E CA -0.243 56.194 56.400 0.061 0.000 0.878 193 E CB 1.851 31.557 29.700 0.010 0.000 1.066 193 E HN -0.011 8.349 8.360 -0.000 0.000 0.406 194 A N 2.744 125.513 122.820 -0.085 0.000 1.948 194 A HA -0.208 4.041 4.320 -0.118 0.000 0.220 194 A C 2.193 179.334 177.584 -0.738 0.000 1.177 194 A CA 2.180 54.010 52.037 -0.347 0.000 0.636 194 A CB -1.248 17.527 19.000 -0.375 0.000 0.815 194 A HN 0.679 8.829 8.150 -0.000 0.000 0.449 195 V N -3.157 116.504 119.914 -0.421 0.000 2.626 195 V HA -0.207 3.842 4.120 -0.118 0.000 0.252 195 V C 2.165 178.190 176.094 -0.116 0.000 1.067 195 V CA 1.947 64.109 62.300 -0.230 0.000 1.081 195 V CB -0.886 30.944 31.823 0.011 0.000 0.686 195 V HN 0.453 8.643 8.190 -0.000 0.000 0.468 196 Q N 0.069 119.801 119.800 -0.113 0.000 2.079 196 Q HA -0.136 4.133 4.340 -0.118 0.000 0.200 196 Q C 2.151 178.034 176.000 -0.195 0.000 0.974 196 Q CA 2.265 57.980 55.803 -0.146 0.000 0.840 196 Q CB -0.423 28.190 28.738 -0.209 0.000 0.898 196 Q HN 0.848 9.118 8.270 -0.000 0.000 0.430 197 Y N -1.057 119.148 120.300 -0.158 0.000 2.314 197 Y HA -0.205 4.274 4.550 -0.119 0.000 0.293 197 Y C 2.011 177.922 175.900 0.018 0.000 1.129 197 Y CA 0.885 58.936 58.100 -0.082 0.000 1.201 197 Y CB -0.225 38.188 38.460 -0.080 0.000 0.999 197 Y HN 0.143 8.423 8.280 -0.000 0.000 0.541 198 Y N 0.015 120.405 120.300 0.150 0.000 2.200 198 Y HA -0.214 4.265 4.550 -0.118 0.000 0.290 198 Y C 2.468 178.388 175.900 0.032 0.000 1.137 198 Y CA 0.974 59.127 58.100 0.087 0.000 1.163 198 Y CB -1.056 37.444 38.460 0.067 0.000 0.988 198 Y HN 0.227 8.507 8.280 -0.000 0.000 0.518 199 E N 0.266 120.559 120.200 0.154 0.000 2.077 199 E HA -0.219 4.060 4.350 -0.118 0.000 0.193 199 E C 1.309 177.907 176.600 -0.003 0.000 0.989 199 E CA 1.608 58.041 56.400 0.056 0.000 0.800 199 E CB 0.013 29.718 29.700 0.009 0.000 0.746 199 E HN 0.371 8.731 8.360 -0.000 0.000 0.452 200 D N -0.542 119.831 120.400 -0.045 0.000 2.149 200 D HA -0.071 4.498 4.640 -0.118 0.000 0.201 200 D C 1.813 178.040 176.300 -0.121 0.000 0.972 200 D CA 1.203 55.138 54.000 -0.109 0.000 0.835 200 D CB -0.643 40.050 40.800 -0.177 0.000 0.966 200 D HN 0.347 8.717 8.370 -0.000 0.000 0.476 201 G N 0.800 109.575 108.800 -0.042 0.000 2.418 201 G HA2 -0.191 3.698 3.960 -0.118 0.000 0.217 201 G HA3 -0.191 3.698 3.960 -0.118 0.000 0.217 201 G C 1.696 176.538 174.900 -0.097 0.000 1.158 201 G CA 1.197 46.256 45.100 -0.069 0.000 0.771 201 G HN 0.387 8.677 8.290 -0.000 0.000 0.545 202 A N 0.597 123.407 122.820 -0.017 0.000 1.898 202 A HA 0.026 4.275 4.320 -0.118 0.000 0.216 202 A C 2.317 179.871 177.584 -0.050 0.000 1.181 202 A CA 1.827 53.857 52.037 -0.012 0.000 0.620 202 A CB -0.425 18.586 19.000 0.019 0.000 0.819 202 A HN 0.371 8.521 8.150 -0.000 0.000 0.442 203 R N -0.338 120.121 120.500 -0.069 0.000 2.075 203 R HA -0.017 4.253 4.340 -0.118 0.000 0.232 203 R C 1.836 178.074 176.300 -0.104 0.000 1.126 203 R CA 1.651 57.710 56.100 -0.069 0.000 0.963 203 R CB -0.347 29.914 30.300 -0.065 0.000 0.858 203 R HN 0.524 8.794 8.270 -0.000 0.000 0.435 204 I N 0.588 121.027 120.570 -0.217 0.000 2.353 204 I HA -0.164 3.935 4.170 -0.118 0.000 0.248 204 I C 2.279 178.207 176.117 -0.316 0.000 1.119 204 I CA 0.970 62.075 61.300 -0.325 0.000 1.417 204 I CB -0.204 37.458 38.000 -0.563 0.000 1.078 204 I HN 0.245 8.455 8.210 -0.000 0.000 0.421 205 E N 1.729 121.745 120.200 -0.307 0.000 2.085 205 E HA -0.227 4.052 4.350 -0.118 0.000 0.194 205 E C 2.148 178.813 176.600 0.109 0.000 0.994 205 E CA 1.796 58.206 56.400 0.018 0.000 0.801 205 E CB -0.181 29.563 29.700 0.074 0.000 0.743 205 E HN 0.407 8.767 8.360 -0.000 0.000 0.453 206 A N 0.856 123.688 122.820 0.021 0.000 1.908 206 A HA -0.105 4.144 4.320 -0.118 0.000 0.218 206 A C 2.478 180.060 177.584 -0.005 0.000 1.181 206 A CA 2.334 54.374 52.037 0.006 0.000 0.627 206 A CB -1.157 17.830 19.000 -0.022 0.000 0.818 206 A HN 0.414 8.564 8.150 -0.000 0.000 0.445 207 A N -1.056 121.783 122.820 0.032 0.000 1.883 207 A HA -0.082 4.167 4.320 -0.118 0.000 0.217 207 A C 2.079 179.753 177.584 0.150 0.000 1.186 207 A CA 1.733 53.837 52.037 0.112 0.000 0.624 207 A CB -0.775 18.319 19.000 0.157 0.000 0.822 207 A HN 0.791 8.941 8.150 -0.000 0.000 0.444 208 F N 0.499 120.475 119.950 0.042 0.000 2.102 208 F HA -0.170 4.292 4.527 -0.109 0.000 0.298 208 F C 2.361 178.205 175.800 0.074 0.000 1.105 208 F CA 1.881 59.927 58.000 0.077 0.000 1.239 208 F CB -0.111 38.987 39.000 0.163 0.000 0.991 208 F HN 0.036 8.336 8.300 -0.000 0.000 0.474 209 R N 0.499 120.984 120.500 -0.026 0.000 2.075 209 R HA -0.145 4.124 4.340 -0.118 0.000 0.232 209 R C 1.996 178.212 176.300 -0.139 0.000 1.126 209 R CA 1.462 57.485 56.100 -0.128 0.000 0.963 209 R CB -1.641 28.661 30.300 0.003 0.000 0.858 209 R HN 0.370 8.640 8.270 -0.000 0.000 0.435 210 N N -0.188 118.397 118.700 -0.191 0.000 2.142 210 N HA -0.146 4.523 4.740 -0.118 0.000 0.186 210 N C 1.057 176.367 175.510 -0.333 0.000 1.023 210 N CA 1.370 54.217 53.050 -0.338 0.000 0.852 210 N CB 0.002 38.132 38.487 -0.596 0.000 0.998 210 N HN 0.159 8.539 8.380 -0.000 0.000 0.424 211 Y N -1.074 119.197 120.300 -0.049 0.000 2.507 211 Y HA 0.331 4.810 4.550 -0.117 0.000 0.263 211 Y C 1.439 177.257 175.900 -0.138 0.000 1.093 211 Y CA -0.073 58.007 58.100 -0.034 0.000 1.285 211 Y CB 0.481 38.904 38.460 -0.061 0.000 1.115 211 Y HN 0.064 8.344 8.280 -0.000 0.000 0.533 212 I N -1.568 118.917 120.570 -0.142 0.000 3.443 212 I HA -0.068 4.031 4.170 -0.118 0.000 0.277 212 I C 2.196 178.155 176.117 -0.263 0.000 1.169 212 I CA 0.971 62.124 61.300 -0.245 0.000 1.419 212 I CB -1.050 36.748 38.000 -0.337 0.000 1.331 212 I HN 0.249 8.459 8.210 -0.000 0.000 0.458 213 H N 2.242 120.983 119.070 -0.548 0.000 2.502 213 H HA 0.101 4.594 4.556 -0.105 0.000 0.283 213 H C 0.896 176.255 175.328 0.053 0.000 1.015 213 H CA 0.331 56.194 56.048 -0.308 0.000 1.298 213 H CB 0.586 30.058 29.762 -0.483 0.000 1.411 213 H HN 0.062 8.342 8.280 -0.000 0.000 0.556 214 R N 1.139 121.643 120.500 0.005 0.000 2.216 214 R HA 0.373 4.642 4.340 -0.118 0.000 0.332 214 R C -0.875 175.413 176.300 -0.020 0.000 1.056 214 R CA -0.170 55.928 56.100 -0.003 0.000 0.901 214 R CB 0.541 30.837 30.300 -0.006 0.000 1.039 214 R HN 0.163 8.433 8.270 -0.000 0.000 0.456 215 A N 3.789 126.518 122.820 -0.151 0.000 2.309 215 A HA 0.136 4.386 4.320 -0.118 0.000 0.298 215 A C -0.630 176.884 177.584 -0.117 0.000 1.165 215 A CA -0.615 51.304 52.037 -0.196 0.000 0.821 215 A CB 0.888 19.572 19.000 -0.528 0.000 1.102 215 A HN 0.742 8.892 8.150 -0.000 0.000 0.500 216 D N 2.680 123.045 120.400 -0.057 0.000 2.316 216 D HA 0.402 4.971 4.640 -0.118 0.000 0.245 216 D C 1.174 177.446 176.300 -0.047 0.000 1.171 216 D CA 0.477 54.458 54.000 -0.032 0.000 0.856 216 D CB 1.423 42.228 40.800 0.007 0.000 1.090 216 D HN 0.495 8.865 8.370 -0.000 0.000 0.476 217 A N 4.702 127.493 122.820 -0.049 0.000 2.186 217 A HA -0.159 4.090 4.320 -0.118 0.000 0.219 217 A C 1.807 179.375 177.584 -0.026 0.000 1.159 217 A CA 1.032 53.042 52.037 -0.045 0.000 0.680 217 A CB -0.122 18.854 19.000 -0.041 0.000 0.787 217 A HN 0.626 8.776 8.150 -0.000 0.000 0.467 218 R N -0.623 119.869 120.500 -0.014 0.000 2.317 218 R HA 0.102 4.371 4.340 -0.118 0.000 0.208 218 R C 0.780 177.082 176.300 0.003 0.000 0.914 218 R CA -0.115 55.983 56.100 -0.003 0.000 1.060 218 R CB 0.007 30.309 30.300 0.004 0.000 1.015 218 R HN 0.686 8.956 8.270 -0.000 0.000 0.498 219 Q N 1.555 121.355 119.800 -0.001 0.000 2.300 219 Q HA -0.080 4.190 4.340 -0.118 0.000 0.280 219 Q C -0.144 175.860 176.000 0.007 0.000 1.033 219 Q CA 0.814 56.622 55.803 0.008 0.000 0.903 219 Q CB 0.629 29.368 28.738 0.002 0.000 1.195 219 Q HN 0.243 8.513 8.270 -0.000 0.000 0.386 220 E N 3.283 123.493 120.200 0.017 0.000 2.676 220 E HA 0.112 4.391 4.350 -0.118 0.000 0.222 220 E C -0.917 175.698 176.600 0.024 0.000 0.968 220 E CA 0.062 56.472 56.400 0.016 0.000 1.090 220 E CB 0.714 30.423 29.700 0.016 0.000 1.066 220 E HN 0.735 9.095 8.360 -0.000 0.000 0.496 221 E N -0.226 119.993 120.200 0.032 0.000 2.427 221 E HA 0.201 4.480 4.350 -0.118 0.000 0.279 221 E C -1.562 175.065 176.600 0.046 0.000 1.120 221 E CA -0.964 55.463 56.400 0.045 0.000 0.869 221 E CB 0.361 30.097 29.700 0.060 0.000 1.393 221 E HN -0.283 8.077 8.360 -0.000 0.000 0.443 222 D N 1.290 121.725 120.400 0.057 0.000 2.472 222 D HA 0.190 4.759 4.640 -0.118 0.000 0.237 222 D C -0.331 175.943 176.300 -0.042 0.000 1.141 222 D CA 0.651 54.657 54.000 0.011 0.000 0.875 222 D CB 0.923 41.756 40.800 0.055 0.000 1.192 222 D HN 0.495 8.865 8.370 -0.000 0.000 0.450 223 S N 1.216 116.819 115.700 -0.161 0.000 2.607 223 S HA 0.687 5.086 4.470 -0.118 0.000 0.303 223 S C -1.147 173.242 174.600 -0.352 0.000 1.086 223 S CA -0.847 57.294 58.200 -0.097 0.000 0.995 223 S CB 1.120 64.346 63.200 0.042 0.000 1.084 223 S HN 0.336 8.646 8.310 -0.000 0.000 0.507 224 Y N -0.014 120.435 120.300 0.248 0.000 2.329 224 Y HA 0.529 5.013 4.550 -0.111 0.000 0.328 224 Y C -0.163 176.031 175.900 0.490 0.000 0.992 224 Y CA -0.599 57.750 58.100 0.414 0.000 1.151 224 Y CB 1.768 40.311 38.460 0.138 0.000 1.150 224 Y HN 0.732 9.012 8.280 -0.000 0.000 0.450 225 E N 3.806 124.369 120.200 0.605 0.000 2.248 225 E HA 0.639 4.918 4.350 -0.118 0.000 0.267 225 E C -1.233 175.509 176.600 0.237 0.000 0.877 225 E CA -0.758 55.823 56.400 0.302 0.000 0.759 225 E CB 2.810 32.679 29.700 0.282 0.000 1.182 225 E HN 0.490 8.850 8.360 -0.000 0.000 0.418 226 I N 2.693 123.147 120.570 -0.193 0.000 2.441 226 I HA 0.414 4.513 4.170 -0.118 0.000 0.295 226 I C -1.093 174.675 176.117 -0.582 0.000 0.994 226 I CA -0.697 60.468 61.300 -0.225 0.000 1.144 226 I CB 0.932 38.698 38.000 -0.389 0.000 1.314 226 I HN 0.406 8.616 8.210 -0.000 0.000 0.445 227 F N 6.432 126.384 119.950 0.004 0.000 2.536 227 F HA 0.521 4.976 4.527 -0.120 0.000 0.322 227 F C -0.204 175.585 175.800 -0.019 0.000 1.144 227 F CA -0.472 57.508 58.000 -0.034 0.000 0.924 227 F CB 1.420 40.400 39.000 -0.034 0.000 1.181 227 F HN 0.133 8.433 8.300 -0.000 0.000 0.438 228 I N 4.390 125.014 120.570 0.090 0.000 2.328 228 I HA 0.463 4.562 4.170 -0.118 0.000 0.287 228 I C 0.034 176.161 176.117 0.017 0.000 1.012 228 I CA -0.280 61.040 61.300 0.033 0.000 1.195 228 I CB 0.605 38.598 38.000 -0.011 0.000 1.350 228 I HN 0.892 9.102 8.210 -0.000 0.000 0.464 229 C N 3.645 122.910 119.300 -0.059 0.000 4.229 229 C HA 0.572 4.961 4.460 -0.118 0.000 0.237 229 C C -0.472 174.228 174.990 -0.483 0.000 4.704 229 C CA -0.511 58.397 59.018 -0.184 0.000 1.588 229 C CB 1.527 29.337 27.740 0.116 0.000 5.145 229 C HN 0.624 8.854 8.230 -0.000 0.000 0.470 230 H N -0.677 118.456 119.070 0.106 0.000 2.985 230 H HA 0.599 5.083 4.556 -0.119 0.000 0.360 230 H C 0.775 176.147 175.328 0.074 0.000 1.221 230 H CA 0.176 56.300 56.048 0.127 0.000 1.121 230 H CB 1.980 31.798 29.762 0.093 0.000 1.854 230 H HN 0.874 9.154 8.280 -0.000 0.000 0.551 231 A N 1.412 124.350 122.820 0.196 0.000 1.865 231 A HA -0.226 4.023 4.320 -0.118 0.000 0.217 231 A C 1.758 179.403 177.584 0.102 0.000 1.191 231 A CA 1.880 53.989 52.037 0.121 0.000 0.623 231 A CB -0.374 18.698 19.000 0.119 0.000 0.826 231 A HN 0.651 8.801 8.150 -0.000 0.000 0.444 232 N N 0.042 118.797 118.700 0.092 0.000 2.188 232 N HA -0.090 4.579 4.740 -0.118 0.000 0.184 232 N C 1.738 177.223 175.510 -0.042 0.000 1.018 232 N CA 1.467 54.526 53.050 0.017 0.000 0.858 232 N CB -0.633 37.852 38.487 -0.002 0.000 0.989 232 N HN 0.259 8.639 8.380 -0.000 0.000 0.426 233 V N 2.059 121.979 119.914 0.010 0.000 2.287 233 V HA -0.202 3.847 4.120 -0.118 0.000 0.248 233 V C 2.292 178.414 176.094 0.047 0.000 1.053 233 V CA 1.346 63.652 62.300 0.009 0.000 1.027 233 V CB -0.443 31.426 31.823 0.077 0.000 0.646 233 V HN 0.212 8.402 8.190 -0.000 0.000 0.447 234 I N -0.588 120.024 120.570 0.069 0.000 2.179 234 I HA -0.246 3.853 4.170 -0.118 0.000 0.242 234 I C 2.754 178.910 176.117 0.065 0.000 1.088 234 I CA 1.583 62.927 61.300 0.074 0.000 1.357 234 I CB -0.480 37.570 38.000 0.082 0.000 1.051 234 I HN 0.198 8.408 8.210 -0.000 0.000 0.409 235 R N -0.135 120.399 120.500 0.057 0.000 2.096 235 R HA -0.259 4.010 4.340 -0.118 0.000 0.240 235 R C 2.396 178.683 176.300 -0.022 0.000 1.139 235 R CA 2.176 58.321 56.100 0.074 0.000 0.952 235 R CB -0.701 29.660 30.300 0.103 0.000 0.854 235 R HN 0.377 8.647 8.270 -0.000 0.000 0.436 236 Y N 0.941 121.019 120.300 -0.369 0.000 2.200 236 Y HA -0.161 4.317 4.550 -0.121 0.000 0.290 236 Y C 2.028 177.793 175.900 -0.225 0.000 1.137 236 Y CA 1.508 59.273 58.100 -0.558 0.000 1.163 236 Y CB -0.031 38.033 38.460 -0.659 0.000 0.988 236 Y HN -0.047 8.233 8.280 -0.000 0.000 0.518 237 I N -1.202 119.421 120.570 0.088 0.000 2.202 237 I HA -0.293 3.806 4.170 -0.118 0.000 0.242 237 I C 2.208 178.326 176.117 0.002 0.000 1.091 237 I CA 1.076 62.441 61.300 0.108 0.000 1.368 237 I CB -0.437 37.663 38.000 0.166 0.000 1.058 237 I HN 0.084 8.294 8.210 -0.000 0.000 0.410 238 V N 0.311 120.236 119.914 0.019 0.000 2.255 238 V HA -0.365 3.684 4.120 -0.118 0.000 0.247 238 V C 2.578 178.632 176.094 -0.068 0.000 1.051 238 V CA 2.081 64.385 62.300 0.007 0.000 1.018 238 V CB -0.668 31.203 31.823 0.080 0.000 0.641 238 V HN 0.571 8.761 8.190 -0.000 0.000 0.445 239 C N -0.648 118.659 119.300 0.012 0.000 2.429 239 C HA -0.125 4.264 4.460 -0.118 0.000 0.277 239 C C 2.929 177.807 174.990 -0.186 0.000 1.262 239 C CA 1.184 60.223 59.018 0.035 0.000 1.733 239 C CB -1.043 26.883 27.740 0.310 0.000 2.010 239 C HN 0.544 8.774 8.230 -0.000 0.000 0.483 240 R N 1.535 121.823 120.500 -0.352 0.000 2.073 240 R HA -0.070 4.199 4.340 -0.118 0.000 0.234 240 R C 2.176 178.258 176.300 -0.365 0.000 1.134 240 R CA 2.038 57.802 56.100 -0.560 0.000 0.952 240 R CB -0.666 28.930 30.300 -1.173 0.000 0.850 240 R HN 0.461 8.731 8.270 -0.000 0.000 0.433 241 A N -0.300 122.402 122.820 -0.196 0.000 2.015 241 A HA -0.011 4.238 4.320 -0.118 0.000 0.219 241 A C 1.899 179.374 177.584 -0.182 0.000 1.163 241 A CA 1.072 53.106 52.037 -0.006 0.000 0.646 241 A CB -0.262 18.781 19.000 0.072 0.000 0.806 241 A HN 0.344 8.494 8.150 -0.000 0.000 0.448 242 L N -1.361 119.640 121.223 -0.370 0.000 2.607 242 L HA 0.084 4.353 4.340 -0.118 0.000 0.228 242 L C 0.209 176.743 176.870 -0.560 0.000 1.123 242 L CA 0.054 54.524 54.840 -0.617 0.000 0.890 242 L CB -0.144 41.192 42.059 -1.206 0.000 1.103 242 L HN 0.468 8.698 8.230 -0.000 0.000 0.468 243 Q N -0.550 119.055 119.800 -0.325 0.000 2.468 243 Q HA -0.213 4.056 4.340 -0.118 0.000 0.289 243 Q C -0.685 175.310 176.000 -0.008 0.000 1.299 243 Q CA 0.425 56.137 55.803 -0.151 0.000 0.838 243 Q CB -1.689 26.996 28.738 -0.089 0.000 1.195 243 Q HN 0.196 8.466 8.270 -0.000 0.000 0.456 244 F N 0.984 120.894 119.950 -0.067 0.000 2.379 244 F HA 0.459 4.919 4.527 -0.112 0.000 0.332 244 F C -1.346 174.389 175.800 -0.107 0.000 1.096 244 F CA -2.843 55.116 58.000 -0.069 0.000 1.105 244 F CB -0.025 38.950 39.000 -0.043 0.000 1.189 244 F HN -0.090 8.210 8.300 -0.000 0.000 0.515 245 P HA 0.141 4.561 4.420 -0.000 0.000 0.274 245 P C -2.192 174.931 177.300 -0.296 0.000 1.237 245 P CA -1.318 61.717 63.100 -0.109 0.000 0.793 245 P CB 0.562 32.191 31.700 -0.119 0.000 0.977 246 P HA -0.149 4.271 4.420 -0.000 0.000 0.221 246 P C 0.731 177.320 177.300 -1.184 0.000 1.145 246 P CA 1.437 63.794 63.100 -1.239 0.000 0.795 246 P CB 0.059 31.154 31.700 -1.009 0.000 0.775 247 E N -0.009 119.846 120.200 -0.575 0.000 2.409 247 E HA -0.022 4.257 4.350 -0.118 0.000 0.198 247 E C 2.216 178.656 176.600 -0.267 0.000 1.024 247 E CA 1.082 57.265 56.400 -0.362 0.000 0.861 247 E CB -1.213 28.357 29.700 -0.216 0.000 0.788 247 E HN 0.332 8.692 8.360 -0.000 0.000 0.521 248 G N 0.124 108.755 108.800 -0.281 0.000 2.572 248 G HA2 -0.163 3.727 3.960 -0.118 0.000 0.216 248 G HA3 -0.163 3.727 3.960 -0.118 0.000 0.216 248 G C 0.626 175.569 174.900 0.072 0.000 1.133 248 G CA 0.052 45.093 45.100 -0.099 0.000 0.791 248 G HN 0.158 8.448 8.290 -0.000 0.000 0.538 249 W N 0.977 122.296 121.300 0.030 0.000 2.317 249 W HA -0.091 4.497 4.660 -0.120 0.000 0.318 249 W C 2.842 179.393 176.519 0.054 0.000 1.227 249 W CA 1.525 58.903 57.345 0.056 0.000 1.269 249 W CB -1.333 28.176 29.460 0.081 0.000 1.155 249 W HN 0.210 8.390 8.180 -0.000 0.000 0.484 250 L N 0.376 121.761 121.223 0.269 0.000 2.478 250 L HA 0.124 4.393 4.340 -0.118 0.000 0.223 250 L C 2.110 179.043 176.870 0.104 0.000 1.140 250 L CA 1.591 56.536 54.840 0.175 0.000 0.842 250 L CB -1.417 40.725 42.059 0.138 0.000 0.953 250 L HN 0.069 8.299 8.230 -0.000 0.000 0.452 251 R N -0.433 120.113 120.500 0.077 0.000 2.299 251 R HA 0.319 4.588 4.340 -0.118 0.000 0.197 251 R C -0.048 176.282 176.300 0.049 0.000 0.971 251 R CA -0.003 56.119 56.100 0.035 0.000 1.030 251 R CB -0.081 30.212 30.300 -0.012 0.000 0.932 251 R HN 0.604 8.874 8.270 -0.000 0.000 0.477 252 L N 0.897 122.175 121.223 0.091 0.000 2.264 252 L HA 0.270 4.539 4.340 -0.118 0.000 0.289 252 L C 0.010 176.932 176.870 0.086 0.000 1.044 252 L CA -0.480 54.416 54.840 0.093 0.000 0.807 252 L CB 1.753 43.891 42.059 0.132 0.000 1.192 252 L HN -0.113 8.117 8.230 -0.000 0.000 0.425 253 S N 5.333 121.071 115.700 0.063 0.000 2.530 253 S HA 0.659 5.058 4.470 -0.118 0.000 0.322 253 S C -0.772 173.854 174.600 0.044 0.000 1.085 253 S CA -0.595 57.637 58.200 0.053 0.000 1.096 253 S CB 0.495 63.718 63.200 0.040 0.000 0.988 253 S HN 0.485 8.795 8.310 -0.000 0.000 0.466 254 L N 4.764 126.013 121.223 0.042 0.000 2.305 254 L HA 0.527 4.796 4.340 -0.118 0.000 0.284 254 L C 0.113 176.981 176.870 -0.002 0.000 1.013 254 L CA -1.032 53.824 54.840 0.026 0.000 0.819 254 L CB 1.316 43.396 42.059 0.035 0.000 1.227 254 L HN 0.561 8.791 8.230 -0.000 0.000 0.417 255 N N 1.752 120.442 118.700 -0.016 0.000 2.415 255 N HA 0.065 4.734 4.740 -0.118 0.000 0.248 255 N C -0.249 175.220 175.510 -0.068 0.000 1.271 255 N CA -0.111 52.915 53.050 -0.039 0.000 0.913 255 N CB 0.306 38.759 38.487 -0.056 0.000 1.129 255 N HN 0.522 8.902 8.380 -0.000 0.000 0.444 256 N N -0.070 118.582 118.700 -0.081 0.000 2.412 256 N HA 0.156 4.825 4.740 -0.118 0.000 0.258 256 N C 1.091 176.559 175.510 -0.072 0.000 1.236 256 N CA 0.909 53.886 53.050 -0.123 0.000 0.882 256 N CB 0.229 38.681 38.487 -0.057 0.000 1.066 256 N HN 0.707 9.087 8.380 -0.000 0.000 0.465 257 G N 0.915 109.671 108.800 -0.074 0.000 2.168 257 G HA2 -0.339 3.550 3.960 -0.118 0.000 0.263 257 G HA3 -0.339 3.550 3.960 -0.118 0.000 0.263 257 G C 0.217 175.177 174.900 0.100 0.000 0.977 257 G CA 0.504 45.616 45.100 0.020 0.000 0.659 257 G HN 0.746 9.036 8.290 -0.000 0.000 0.533 258 S N -0.601 115.129 115.700 0.050 0.000 2.593 258 S HA 0.681 5.081 4.470 -0.118 0.000 0.269 258 S C 0.259 174.957 174.600 0.163 0.000 1.334 258 S CA -0.498 57.762 58.200 0.100 0.000 1.015 258 S CB 1.653 64.874 63.200 0.036 0.000 0.912 258 S HN 0.597 8.907 8.310 -0.000 0.000 0.541 259 I N 1.812 122.526 120.570 0.241 0.000 2.362 259 I HA 0.279 4.378 4.170 -0.118 0.000 0.289 259 I C -0.244 176.020 176.117 0.245 0.000 0.994 259 I CA -0.368 61.085 61.300 0.255 0.000 1.158 259 I CB 1.796 39.982 38.000 0.309 0.000 1.315 259 I HN 0.611 8.821 8.210 -0.000 0.000 0.451 260 T N 4.651 119.338 114.554 0.223 0.000 2.779 260 T HA 0.274 4.553 4.350 -0.118 0.000 0.280 260 T C -0.701 174.132 174.700 0.223 0.000 0.987 260 T CA -0.357 61.861 62.100 0.196 0.000 0.966 260 T CB 0.532 69.485 68.868 0.142 0.000 0.933 260 T HN 0.489 8.729 8.240 -0.000 0.000 0.442 261 H N 4.181 123.283 119.070 0.053 0.000 2.638 261 H HA 0.564 5.048 4.556 -0.120 0.000 0.317 261 H C -1.091 174.173 175.328 -0.107 0.000 1.006 261 H CA -0.920 55.064 56.048 -0.107 0.000 1.222 261 H CB 0.551 30.289 29.762 -0.039 0.000 1.419 261 H HN 0.403 8.683 8.280 -0.000 0.000 0.489 262 L N 5.360 126.587 121.223 0.006 0.000 2.331 262 L HA 0.427 4.696 4.340 -0.118 0.000 0.275 262 L C -0.545 176.216 176.870 -0.181 0.000 1.022 262 L CA -1.153 53.616 54.840 -0.118 0.000 0.812 262 L CB 2.027 44.040 42.059 -0.077 0.000 1.257 262 L HN 0.370 8.600 8.230 -0.000 0.000 0.435 263 V N 3.883 123.629 119.914 -0.279 0.000 2.409 263 V HA 0.438 4.487 4.120 -0.118 0.000 0.291 263 V C -0.108 175.819 176.094 -0.279 0.000 1.020 263 V CA -0.330 61.749 62.300 -0.369 0.000 0.848 263 V CB 1.726 33.321 31.823 -0.380 0.000 0.990 263 V HN 0.489 8.679 8.190 -0.000 0.000 0.430 264 I N 5.781 126.185 120.570 -0.278 0.000 2.354 264 I HA 0.479 4.578 4.170 -0.118 0.000 0.286 264 I C 0.318 176.342 176.117 -0.155 0.000 1.007 264 I CA -0.643 60.522 61.300 -0.226 0.000 1.167 264 I CB 1.077 38.933 38.000 -0.239 0.000 1.320 264 I HN 0.477 8.687 8.210 -0.000 0.000 0.458 265 R N 6.358 126.785 120.500 -0.122 0.000 2.637 265 R HA 0.242 4.511 4.340 -0.118 0.000 0.269 265 R C -1.640 174.693 176.300 0.055 0.000 1.089 265 R CA -2.071 54.002 56.100 -0.045 0.000 1.177 265 R CB 0.061 30.335 30.300 -0.043 0.000 1.091 265 R HN 0.239 8.509 8.270 -0.000 0.000 0.540 266 P HA -0.128 4.292 4.420 -0.000 0.000 0.218 266 P C 0.558 177.947 177.300 0.149 0.000 1.148 266 P CA 1.339 64.500 63.100 0.102 0.000 0.822 266 P CB 0.141 31.859 31.700 0.030 0.000 0.784 267 N N -1.454 117.306 118.700 0.100 0.000 2.461 267 N HA 0.072 4.741 4.740 -0.118 0.000 0.188 267 N C 1.181 176.769 175.510 0.130 0.000 1.134 267 N CA 0.872 53.981 53.050 0.099 0.000 0.878 267 N CB -0.836 37.673 38.487 0.037 0.000 0.972 267 N HN 0.189 8.569 8.380 -0.000 0.000 0.456 268 G N -0.391 108.475 108.800 0.110 0.000 2.179 268 G HA2 -0.275 3.614 3.960 -0.118 0.000 0.220 268 G HA3 -0.275 3.614 3.960 -0.118 0.000 0.220 268 G C -0.049 174.735 174.900 -0.193 0.000 0.990 268 G CA -0.203 44.807 45.100 -0.149 0.000 0.646 268 G HN 0.476 8.766 8.290 -0.000 0.000 0.517 269 R N 0.468 120.903 120.500 -0.109 0.000 2.522 269 R HA 0.414 4.683 4.340 -0.118 0.000 0.284 269 R C -0.285 175.923 176.300 -0.153 0.000 1.032 269 R CA 0.294 56.328 56.100 -0.110 0.000 1.049 269 R CB 0.594 30.852 30.300 -0.071 0.000 0.956 269 R HN 0.103 8.373 8.270 -0.000 0.000 0.422 270 V N 3.412 123.232 119.914 -0.157 0.000 2.448 270 V HA 0.522 4.571 4.120 -0.118 0.000 0.295 270 V C -0.212 175.794 176.094 -0.148 0.000 1.025 270 V CA -0.796 61.399 62.300 -0.174 0.000 0.859 270 V CB 1.636 33.347 31.823 -0.186 0.000 0.988 270 V HN 0.900 9.090 8.190 -0.000 0.000 0.431 271 A N 4.519 127.248 122.820 -0.151 0.000 2.337 271 A HA 0.854 5.103 4.320 -0.118 0.000 0.329 271 A C -1.009 176.490 177.584 -0.142 0.000 1.146 271 A CA -0.599 51.361 52.037 -0.129 0.000 0.800 271 A CB 1.313 20.243 19.000 -0.117 0.000 1.220 271 A HN 0.819 8.969 8.150 -0.000 0.000 0.472 272 L N 2.232 123.398 121.223 -0.094 0.000 2.259 272 L HA 0.569 4.838 4.340 -0.118 0.000 0.288 272 L C 1.086 177.913 176.870 -0.071 0.000 1.051 272 L CA -0.104 54.694 54.840 -0.069 0.000 0.824 272 L CB 0.825 42.888 42.059 0.007 0.000 1.206 272 L HN 0.863 9.093 8.230 -0.000 0.000 0.429 273 R N 2.603 123.013 120.500 -0.150 0.000 2.112 273 R HA 0.230 4.500 4.340 -0.118 0.000 0.216 273 R C 0.005 176.305 176.300 -0.000 0.000 1.080 273 R CA 1.022 57.038 56.100 -0.140 0.000 0.996 273 R CB 0.238 30.299 30.300 -0.398 0.000 0.902 273 R HN 0.639 8.909 8.270 -0.000 0.000 0.449 274 T N -0.689 113.898 114.554 0.054 0.000 2.932 274 T HA 0.504 4.783 4.350 -0.118 0.000 0.318 274 T C -2.122 172.654 174.700 0.126 0.000 1.265 274 T CA -0.684 61.488 62.100 0.119 0.000 1.036 274 T CB 0.870 69.855 68.868 0.194 0.000 1.209 274 T HN 0.092 8.332 8.240 -0.000 0.000 0.484 275 L N 3.562 124.851 121.223 0.110 0.000 2.385 275 L HA 0.711 4.980 4.340 -0.118 0.000 0.273 275 L C 0.825 177.752 176.870 0.096 0.000 0.990 275 L CA 0.557 55.461 54.840 0.108 0.000 0.821 275 L CB 1.433 43.552 42.059 0.099 0.000 1.279 275 L HN 0.992 9.222 8.230 -0.000 0.000 0.412 276 G N 2.340 111.199 108.800 0.098 0.000 2.246 276 G HA2 -0.278 3.611 3.960 -0.118 0.000 0.273 276 G HA3 -0.278 3.611 3.960 -0.118 0.000 0.273 276 G C -0.105 174.828 174.900 0.054 0.000 1.055 276 G CA 0.440 45.580 45.100 0.068 0.000 0.851 276 G HN 0.827 9.117 8.290 -0.000 0.000 0.500 277 D N 0.699 121.161 120.400 0.104 0.000 2.346 277 D HA 0.417 4.986 4.640 -0.118 0.000 0.260 277 D C 1.435 177.717 176.300 -0.030 0.000 1.252 277 D CA 0.699 54.756 54.000 0.096 0.000 0.895 277 D CB 0.390 41.325 40.800 0.225 0.000 1.097 277 D HN 0.390 8.760 8.370 -0.000 0.000 0.489 278 T N 0.135 114.528 114.554 -0.269 0.000 3.339 278 T HA 0.332 4.611 4.350 -0.118 0.000 0.292 278 T C 1.448 175.726 174.700 -0.703 0.000 1.012 278 T CA -0.251 61.392 62.100 -0.761 0.000 0.937 278 T CB 0.458 69.053 68.868 -0.456 0.000 1.164 278 T HN 0.239 8.479 8.240 -0.000 0.000 0.509 279 G N 1.614 110.187 108.800 -0.379 0.000 2.598 279 G HA2 0.031 3.920 3.960 -0.118 0.000 0.215 279 G HA3 0.031 3.920 3.960 -0.118 0.000 0.215 279 G C 0.912 175.746 174.900 -0.111 0.000 1.131 279 G CA 0.364 45.368 45.100 -0.160 0.000 0.785 279 G HN 0.721 9.011 8.290 -0.000 0.000 0.539 280 F N -0.708 119.246 119.950 0.008 0.000 2.811 280 F HA 0.506 4.962 4.527 -0.118 0.000 0.301 280 F C 0.928 176.722 175.800 -0.010 0.000 1.151 280 F CA -0.744 57.254 58.000 -0.003 0.000 1.412 280 F CB -0.187 38.805 39.000 -0.012 0.000 1.113 280 F HN -0.112 8.188 8.300 -0.000 0.000 0.579 281 M N 2.036 121.439 119.600 -0.329 0.000 2.300 281 M HA 0.398 4.807 4.480 -0.118 0.000 0.348 281 M C -2.399 173.843 176.300 -0.096 0.000 1.151 281 M CA -1.881 53.324 55.300 -0.160 0.000 1.046 281 M CB 1.233 33.676 32.600 -0.261 0.000 1.647 281 M HN -0.268 8.022 8.290 -0.000 0.000 0.451 282 P HA 0.073 4.493 4.420 -0.000 0.000 0.266 282 P C -2.129 175.144 177.300 -0.044 0.000 1.195 282 P CA -0.783 62.300 63.100 -0.029 0.000 0.768 282 P CB -0.094 31.601 31.700 -0.009 0.000 0.838 283 P HA -0.198 4.222 4.420 -0.000 0.000 0.217 283 P C 0.848 178.130 177.300 -0.031 0.000 1.148 283 P CA 1.546 64.623 63.100 -0.039 0.000 0.828 283 P CB -0.222 31.461 31.700 -0.028 0.000 0.783 284 D N -1.339 119.048 120.400 -0.021 0.000 2.363 284 D HA -0.105 4.464 4.640 -0.118 0.000 0.226 284 D C 1.033 177.324 176.300 -0.015 0.000 1.020 284 D CA 0.781 54.772 54.000 -0.015 0.000 0.892 284 D CB -0.413 40.382 40.800 -0.008 0.000 0.900 284 D HN 0.079 8.449 8.370 -0.000 0.000 0.531 285 K N 0.037 120.424 120.400 -0.022 0.000 2.358 285 K HA 0.267 4.516 4.320 -0.118 0.000 0.200 285 K C 0.479 177.058 176.600 -0.034 0.000 1.030 285 K CA -0.344 55.931 56.287 -0.021 0.000 1.097 285 K CB 1.276 33.769 32.500 -0.013 0.000 0.862 285 K HN 0.272 8.522 8.250 -0.000 0.000 0.534 286 I N 2.577 123.120 120.570 -0.045 0.000 2.342 286 I HA 0.058 4.158 4.170 -0.118 0.000 0.291 286 I C 0.429 176.523 176.117 -0.038 0.000 1.010 286 I CA -0.088 61.177 61.300 -0.058 0.000 1.308 286 I CB 1.266 39.220 38.000 -0.077 0.000 1.400 286 I HN 0.009 8.219 8.210 -0.000 0.000 0.488 287 T N 2.059 116.593 114.554 -0.034 0.000 2.883 287 T HA 0.503 4.782 4.350 -0.118 0.000 0.296 287 T C 0.390 175.080 174.700 -0.017 0.000 1.117 287 T CA -0.902 61.187 62.100 -0.019 0.000 1.006 287 T CB 2.286 71.149 68.868 -0.008 0.000 1.191 287 T HN 0.511 8.751 8.240 -0.000 0.000 0.508 288 R N 0.039 120.538 120.500 -0.003 0.000 2.225 288 R HA 0.361 4.630 4.340 -0.118 0.000 0.194 288 R C 0.582 176.904 176.300 0.036 0.000 0.957 288 R CA 0.465 56.570 56.100 0.008 0.000 1.042 288 R CB 0.420 30.728 30.300 0.015 0.000 1.004 288 R HN 0.887 9.157 8.270 -0.000 0.000 0.509 289 S N 0.000 115.722 115.700 0.037 0.000 2.498 289 S HA 0.000 4.399 4.470 -0.118 0.000 0.327 289 S CA 0.000 58.234 58.200 0.057 0.000 1.107 289 S CB 0.000 63.234 63.200 0.057 0.000 0.593 289 S HN 0.000 8.310 8.310 -0.000 0.000 0.517