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 2kdy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGSSGGGGSG GGGVTADIGT GLADALTAPL DHKDKGLKSL TLEDSISQNG DATA SEQUENCE TLTLSAQGAE KTYGNGDSLN TGKLKNDKVS RFDFIRQIEV DGQLITLESG DATA SEQUENCE EFQVYKQSHS ALTALQTEQE QDPEHSEKMV AKRRFRIGDI AGEHTSFDKL DATA SEQUENCE PKDVMATYRG TAFGSDDAGG KLTYTIDFAA KQGHGKIEHL KSPELNVDLA DATA SEQUENCE VAYIKPDEKH HAVISGSVLY NQDEKGSYSL GIFGEKAQEV AGSAEVETAN DATA SEQUENCE GIHHIGLAAK Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.485 4.480 0.008 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 G N 1.105 109.908 108.800 0.006 0.000 3.083 2 G HA2 0.080 4.044 3.960 0.006 0.000 0.210 2 G HA3 0.080 4.044 3.960 0.005 0.000 0.210 2 G C 0.328 175.232 174.900 0.005 0.000 1.571 2 G CA 0.996 46.099 45.100 0.006 0.000 0.727 2 G HN 0.133 8.427 8.290 0.006 0.000 0.988 3 S N 0.131 115.834 115.700 0.005 0.000 2.456 3 S HA 0.081 4.554 4.470 0.005 0.000 0.224 3 S C -0.092 174.511 174.600 0.005 0.000 1.035 3 S CA 0.493 58.696 58.200 0.005 0.000 0.940 3 S CB 0.685 63.888 63.200 0.004 0.000 0.799 3 S HN -0.084 8.229 8.310 0.005 0.000 0.508 4 S N 2.984 118.687 115.700 0.006 0.000 2.422 4 S HA 0.142 4.615 4.470 0.006 0.000 0.308 4 S C -1.491 173.114 174.600 0.007 0.000 1.097 4 S CA -0.130 58.074 58.200 0.006 0.000 1.099 4 S CB 0.542 63.746 63.200 0.007 0.000 0.976 4 S HN -0.433 7.880 8.310 0.006 0.000 0.471 5 G N 2.618 111.422 108.800 0.007 0.000 2.753 5 G HA2 0.100 4.065 3.960 0.009 0.000 0.295 5 G HA3 0.100 4.065 3.960 0.008 0.000 0.295 5 G C -1.272 173.633 174.900 0.008 0.000 1.437 5 G CA 0.389 45.493 45.100 0.008 0.000 1.094 5 G HN 0.040 8.334 8.290 0.007 0.000 0.540 6 G N -0.078 108.728 108.800 0.009 0.000 3.982 6 G HA2 0.585 4.551 3.960 0.009 0.000 0.274 6 G HA3 0.585 4.551 3.960 0.009 0.000 0.274 6 G C -0.353 174.554 174.900 0.011 0.000 1.847 6 G CA 0.091 45.197 45.100 0.009 0.000 0.608 6 G HN 0.877 9.173 8.290 0.010 0.000 0.407 7 G N -0.048 108.759 108.800 0.011 0.000 2.029 7 G HA2 -0.060 3.907 3.960 0.012 0.000 0.293 7 G HA3 -0.060 3.908 3.960 0.013 0.000 0.293 7 G C 0.030 174.937 174.900 0.011 0.000 1.362 7 G CA 0.730 45.837 45.100 0.012 0.000 1.226 7 G HN -0.374 7.921 8.290 0.010 0.000 0.599 8 G N 2.696 111.502 108.800 0.010 0.000 2.751 8 G HA2 0.014 3.979 3.960 0.008 0.000 0.187 8 G HA3 0.014 3.979 3.960 0.009 0.000 0.187 8 G C 0.868 175.774 174.900 0.009 0.000 1.733 8 G CA -0.180 44.925 45.100 0.009 0.000 0.898 8 G HN -0.049 8.247 8.290 0.011 0.000 0.408 9 S N 2.074 117.780 115.700 0.009 0.000 3.149 9 S HA 0.009 4.483 4.470 0.008 0.000 0.228 9 S C 0.316 174.923 174.600 0.012 0.000 1.393 9 S CA -0.536 57.670 58.200 0.009 0.000 1.224 9 S CB -1.229 61.976 63.200 0.007 0.000 1.112 9 S HN 0.032 8.347 8.310 0.009 0.000 0.502 10 G N 0.492 109.300 108.800 0.014 0.000 3.327 10 G HA2 0.028 3.999 3.960 0.018 0.000 0.240 10 G HA3 0.028 3.999 3.960 0.018 0.000 0.240 10 G C 0.371 175.283 174.900 0.019 0.000 1.222 10 G CA -0.515 44.596 45.100 0.017 0.000 0.871 10 G HN -0.341 7.879 8.290 0.013 0.078 0.525 11 G N -0.314 108.495 108.800 0.015 0.000 2.470 11 G HA2 -0.103 3.867 3.960 0.018 0.000 0.220 11 G HA3 -0.103 3.862 3.960 0.009 0.000 0.220 11 G C -0.387 174.525 174.900 0.019 0.000 1.121 11 G CA 0.194 45.303 45.100 0.015 0.000 0.766 11 G HN -0.132 8.051 8.290 0.012 0.115 0.553 12 G N -1.423 107.390 108.800 0.023 0.000 3.535 12 G HA2 0.265 4.249 3.960 0.040 0.000 0.169 12 G HA3 0.265 4.247 3.960 0.038 0.000 0.169 12 G C -2.022 172.902 174.900 0.039 0.000 1.241 12 G CA -0.348 44.773 45.100 0.036 0.000 1.334 12 G HN -0.832 7.435 8.290 0.020 0.035 0.717 13 G N -1.127 107.701 108.800 0.047 0.000 3.193 13 G HA2 0.295 4.277 3.960 0.036 0.000 0.186 13 G HA3 0.295 4.287 3.960 0.053 0.000 0.186 13 G C -1.298 173.628 174.900 0.043 0.000 1.536 13 G CA 0.058 45.185 45.100 0.045 0.000 0.943 13 G HN 0.043 8.364 8.290 0.052 0.000 0.781 14 V N -0.564 119.383 119.914 0.056 0.000 2.694 14 V HA 0.008 4.151 4.120 0.039 0.000 0.306 14 V C -0.897 175.220 176.094 0.038 0.000 1.054 14 V CA 0.421 62.751 62.300 0.050 0.000 1.161 14 V CB 0.709 32.572 31.823 0.068 0.000 0.916 14 V HN -0.149 8.082 8.190 0.069 0.000 0.490 15 T N 4.323 118.892 114.554 0.025 0.000 2.735 15 T HA 0.134 4.484 4.350 0.000 0.000 0.262 15 T C 1.052 175.760 174.700 0.013 0.000 0.955 15 T CA -2.026 60.081 62.100 0.011 0.000 1.022 15 T CB 1.596 70.468 68.868 0.007 0.000 1.455 15 T HN -0.125 8.131 8.240 0.025 0.000 0.583 16 A N -1.149 121.675 122.820 0.007 0.000 2.264 16 A HA -0.003 4.328 4.320 0.017 0.000 0.207 16 A C -1.237 176.357 177.584 0.016 0.000 1.196 16 A CA 1.648 53.693 52.037 0.012 0.000 0.778 16 A CB -0.020 18.984 19.000 0.007 0.000 0.779 16 A HN 0.069 8.220 8.150 0.001 0.000 0.483 17 D N -5.692 114.717 120.400 0.016 0.000 3.629 17 D HA 0.069 4.719 4.640 0.016 0.000 0.306 17 D C -1.570 174.739 176.300 0.015 0.000 1.431 17 D CA -0.261 53.748 54.000 0.015 0.000 0.748 17 D CB 0.352 41.159 40.800 0.012 0.000 1.315 17 D HN -0.570 7.689 8.370 0.015 0.120 0.667 18 I N -1.231 119.350 120.570 0.019 0.000 3.904 18 I HA 0.198 4.378 4.170 0.016 0.000 0.235 18 I C 1.006 177.134 176.117 0.018 0.000 1.062 18 I CA -0.077 61.235 61.300 0.019 0.000 1.574 18 I CB 1.347 39.362 38.000 0.025 0.000 1.503 18 I HN -0.617 7.606 8.210 0.022 0.000 0.463 19 G N 0.633 109.446 108.800 0.022 0.000 3.714 19 G HA2 0.250 4.218 3.960 0.014 0.000 0.276 19 G HA3 0.250 4.221 3.960 0.019 0.000 0.276 19 G C -0.161 174.747 174.900 0.013 0.000 1.058 19 G CA -0.712 44.398 45.100 0.017 0.000 1.700 19 G HN 0.303 8.609 8.290 0.027 0.000 0.605 20 T N 1.934 116.495 114.554 0.011 0.000 3.139 20 T HA -0.219 4.139 4.350 0.014 0.000 0.267 20 T C 1.694 176.393 174.700 -0.002 0.000 1.164 20 T CA 0.273 62.377 62.100 0.008 0.000 1.075 20 T CB -0.696 68.176 68.868 0.006 0.000 0.904 20 T HN -0.645 7.556 8.240 0.011 0.046 0.540 21 G N 2.343 111.141 108.800 -0.004 0.000 2.656 21 G HA2 -0.360 3.593 3.960 -0.012 0.000 0.223 21 G HA3 -0.360 3.592 3.960 -0.012 0.000 0.223 21 G C 1.161 176.047 174.900 -0.024 0.000 1.130 21 G CA 2.170 47.263 45.100 -0.012 0.000 0.758 21 G HN 0.353 8.535 8.290 0.001 0.109 0.608 22 L N 1.409 122.619 121.223 -0.022 0.000 2.083 22 L HA -0.221 4.087 4.340 -0.054 0.000 0.209 22 L C 2.490 179.330 176.870 -0.050 0.000 1.083 22 L CA 0.677 55.496 54.840 -0.036 0.000 0.752 22 L CB -2.092 39.968 42.059 0.002 0.000 0.899 22 L HN -0.736 7.472 8.230 -0.012 0.015 0.433 23 A N -1.258 121.546 122.820 -0.027 0.000 2.186 23 A HA -0.331 3.966 4.320 -0.038 0.000 0.219 23 A C 0.531 178.091 177.584 -0.040 0.000 1.159 23 A CA 2.654 54.672 52.037 -0.031 0.000 0.680 23 A CB -0.954 18.040 19.000 -0.010 0.000 0.787 23 A HN 0.824 8.834 8.150 -0.012 0.134 0.467 24 D N -2.955 117.420 120.400 -0.041 0.000 2.350 24 D HA 0.062 4.683 4.640 -0.032 0.000 0.213 24 D C 0.691 176.960 176.300 -0.053 0.000 1.031 24 D CA 1.787 55.764 54.000 -0.038 0.000 0.861 24 D CB 0.570 41.353 40.800 -0.027 0.000 0.926 24 D HN -0.407 7.729 8.370 -0.039 0.211 0.520 25 A N -2.179 120.593 122.820 -0.080 0.000 2.195 25 A HA 0.182 4.626 4.320 -0.075 -0.168 0.210 25 A C -0.169 177.347 177.584 -0.114 0.000 1.165 25 A CA 1.559 53.533 52.037 -0.104 0.000 0.806 25 A CB 0.957 19.867 19.000 -0.149 0.000 0.847 25 A HN 0.221 8.125 8.150 -0.086 0.194 0.482 26 L N -6.321 114.835 121.223 -0.112 0.000 2.500 26 L HA 0.193 4.518 4.340 -0.026 0.000 0.219 26 L C 0.485 177.330 176.870 -0.042 0.000 1.057 26 L CA 1.403 56.197 54.840 -0.076 0.000 0.854 26 L CB 0.817 42.799 42.059 -0.127 0.000 1.078 26 L HN -0.618 7.502 8.230 -0.104 0.048 0.480 27 T N -4.168 110.360 114.554 -0.043 0.000 2.975 27 T HA 0.045 4.374 4.350 -0.035 0.000 0.257 27 T C -0.437 174.245 174.700 -0.030 0.000 1.003 27 T CA -0.355 61.725 62.100 -0.033 0.000 0.932 27 T CB 0.947 69.799 68.868 -0.027 0.000 1.087 27 T HN -0.778 7.432 8.240 -0.050 0.000 0.512 28 A N 3.233 126.034 122.820 -0.031 0.000 2.511 28 A HA 0.432 4.741 4.320 -0.018 0.000 0.340 28 A C -2.379 175.191 177.584 -0.023 0.000 1.396 28 A CA -3.143 48.880 52.037 -0.023 0.000 0.887 28 A CB 0.571 19.558 19.000 -0.021 0.000 1.145 28 A HN -0.819 7.219 8.150 -0.038 0.089 0.497 29 P HA 0.030 4.436 4.420 -0.023 0.000 0.312 29 P C -0.266 177.028 177.300 -0.011 0.000 1.307 29 P CA -0.936 62.153 63.100 -0.019 0.000 0.738 29 P CB 0.670 32.358 31.700 -0.021 0.000 1.422 30 L N -4.908 116.309 121.223 -0.010 0.000 2.236 30 L HA -0.207 4.218 4.340 -0.012 -0.092 0.215 30 L C -0.177 176.700 176.870 0.012 0.000 1.175 30 L CA 1.169 56.004 54.840 -0.007 0.000 0.825 30 L CB 0.298 42.347 42.059 -0.015 0.000 1.129 30 L HN -0.218 8.004 8.230 -0.013 0.000 0.612 31 D N -3.905 116.505 120.400 0.018 0.000 3.435 31 D HA 0.097 4.801 4.640 0.106 0.000 0.352 31 D C -0.831 175.519 176.300 0.084 0.000 1.460 31 D CA -0.360 53.684 54.000 0.073 0.000 0.935 31 D CB 2.188 43.018 40.800 0.050 0.000 1.468 31 D HN -0.407 8.112 8.370 -0.009 -0.154 0.573 32 H N -1.191 117.873 119.070 -0.010 0.000 2.502 32 H HA 0.310 4.861 4.556 -0.008 0.000 0.268 32 H C -0.961 174.363 175.328 -0.007 0.000 1.177 32 H CA -0.060 55.983 56.048 -0.008 0.000 0.961 32 H CB 0.262 30.019 29.762 -0.008 0.000 1.737 32 H HN 0.053 8.457 8.280 0.207 0.000 0.569 33 K N -2.028 118.393 120.400 0.034 0.000 2.769 33 K HA 0.144 4.472 4.320 0.014 0.000 0.155 33 K C -1.450 175.149 176.600 -0.002 0.000 1.162 33 K CA -0.182 56.117 56.287 0.019 0.000 1.149 33 K CB 0.721 33.243 32.500 0.036 0.000 0.871 33 K HN -0.229 7.963 8.250 0.013 0.065 0.440 34 D N 1.926 122.315 120.400 -0.018 0.000 2.367 34 D HA -0.061 4.571 4.640 -0.013 0.000 0.255 34 D C 0.440 176.727 176.300 -0.021 0.000 1.300 34 D CA 0.869 54.857 54.000 -0.019 0.000 0.959 34 D CB -0.415 40.368 40.800 -0.028 0.000 1.064 34 D HN -0.196 8.156 8.370 -0.031 0.000 0.509 35 K N 1.867 122.258 120.400 -0.015 0.000 2.442 35 K HA -0.194 4.117 4.320 -0.014 0.000 0.199 35 K C -0.353 176.237 176.600 -0.017 0.000 1.044 35 K CA 0.774 57.053 56.287 -0.014 0.000 0.941 35 K CB 0.186 32.679 32.500 -0.011 0.000 0.759 35 K HN 0.011 8.254 8.250 -0.011 0.000 0.472 36 G N -2.612 106.177 108.800 -0.019 0.000 2.911 36 G HA2 0.048 3.999 3.960 -0.015 0.000 0.299 36 G HA3 0.048 3.995 3.960 -0.023 0.000 0.299 36 G C -1.990 172.899 174.900 -0.018 0.000 1.283 36 G CA -1.587 43.502 45.100 -0.019 0.000 0.805 36 G HN -0.823 7.365 8.290 -0.019 0.090 0.548 37 L N -3.943 117.272 121.223 -0.014 0.000 2.749 37 L HA -0.269 4.065 4.340 -0.010 0.000 0.313 37 L C 0.658 177.518 176.870 -0.017 0.000 1.251 37 L CA 1.182 56.014 54.840 -0.012 0.000 0.867 37 L CB -0.150 41.905 42.059 -0.007 0.000 1.122 37 L HN -0.079 8.143 8.230 -0.013 0.000 0.513 38 K N 0.143 120.531 120.400 -0.019 0.000 2.380 38 K HA 0.020 4.327 4.320 -0.022 0.000 0.198 38 K C -0.374 176.215 176.600 -0.019 0.000 1.070 38 K CA 0.325 56.598 56.287 -0.023 0.000 1.040 38 K CB 0.789 33.269 32.500 -0.033 0.000 0.903 38 K HN 0.468 8.708 8.250 -0.018 0.000 0.549 39 S N -4.212 111.478 115.700 -0.016 0.000 2.683 39 S HA -0.028 4.537 4.470 -0.015 -0.105 0.264 39 S C -1.911 172.685 174.600 -0.006 0.000 1.066 39 S CA -0.498 57.694 58.200 -0.013 0.000 0.846 39 S CB 1.324 64.516 63.200 -0.014 0.000 1.114 39 S HN -0.816 7.486 8.310 -0.014 0.000 0.476 40 L N 0.792 122.015 121.223 -0.000 0.000 2.611 40 L HA 0.283 4.625 4.340 0.005 0.000 0.263 40 L C -0.505 176.375 176.870 0.017 0.000 0.969 40 L CA 0.739 55.583 54.840 0.007 0.000 0.894 40 L CB 3.564 45.627 42.059 0.007 0.000 1.229 40 L HN 1.031 9.129 8.230 0.002 0.133 0.416 41 T N 5.889 120.450 114.554 0.011 0.000 2.856 41 T HA -0.098 4.258 4.350 0.009 0.000 0.306 41 T C -0.454 174.263 174.700 0.028 0.000 1.062 41 T CA 1.724 63.832 62.100 0.012 0.000 1.083 41 T CB 0.559 69.427 68.868 0.000 0.000 0.984 41 T HN 0.163 8.406 8.240 0.006 0.000 0.542 42 L N 2.738 123.983 121.223 0.037 0.000 3.168 42 L HA 0.351 4.720 4.340 0.048 0.000 0.277 42 L C 0.092 176.985 176.870 0.038 0.000 1.308 42 L CA -0.943 53.928 54.840 0.052 0.000 0.976 42 L CB -0.088 42.030 42.059 0.099 0.000 1.383 42 L HN 0.650 8.803 8.230 0.025 0.092 0.572 43 E N 0.804 121.018 120.200 0.022 0.000 2.233 43 E HA -0.356 4.001 4.350 0.010 0.000 0.199 43 E C 0.547 177.161 176.600 0.022 0.000 1.004 43 E CA 3.038 59.447 56.400 0.016 0.000 0.819 43 E CB -0.259 29.447 29.700 0.010 0.000 0.738 43 E HN 0.075 8.387 8.360 0.018 0.059 0.478 44 D N -5.719 114.697 120.400 0.027 0.000 2.516 44 D HA 0.168 4.825 4.640 0.028 0.000 0.241 44 D C 0.492 176.815 176.300 0.038 0.000 1.246 44 D CA 0.298 54.315 54.000 0.029 0.000 0.808 44 D CB 0.959 41.773 40.800 0.022 0.000 1.147 44 D HN -0.048 8.306 8.370 0.029 0.033 0.527 45 S N -0.425 115.303 115.700 0.046 0.000 2.413 45 S HA -0.266 4.233 4.470 0.049 0.000 0.237 45 S C -0.267 174.372 174.600 0.065 0.000 1.044 45 S CA 3.051 61.285 58.200 0.057 0.000 1.024 45 S CB 0.271 63.514 63.200 0.072 0.000 0.829 45 S HN 0.254 8.459 8.310 0.045 0.131 0.475 46 I N -5.659 114.951 120.570 0.067 0.000 3.690 46 I HA 0.142 4.348 4.170 0.060 0.000 0.280 46 I C -1.314 174.833 176.117 0.049 0.000 1.145 46 I CA -1.523 59.817 61.300 0.066 0.000 1.144 46 I CB 2.062 40.119 38.000 0.095 0.000 1.378 46 I HN -0.956 7.267 8.210 0.065 0.026 0.478 47 S N -3.750 111.979 115.700 0.047 0.000 1.540 47 S HA 0.001 4.718 4.470 0.034 -0.226 0.173 47 S C -0.117 174.503 174.600 0.033 0.000 0.670 47 S CA 1.314 59.534 58.200 0.034 0.000 1.643 47 S CB 1.018 64.232 63.200 0.024 0.000 0.977 47 S HN 0.078 8.422 8.310 0.056 0.000 0.367 48 Q N -0.772 119.051 119.800 0.037 0.000 2.282 48 Q HA 0.096 4.452 4.340 0.026 0.000 0.206 48 Q C -1.113 174.919 176.000 0.053 0.000 0.878 48 Q CA 0.378 56.202 55.803 0.034 0.000 0.944 48 Q CB 0.468 29.220 28.738 0.023 0.000 1.100 48 Q HN 0.127 8.421 8.270 0.041 0.000 0.509 49 N N -0.609 118.135 118.700 0.074 0.000 2.610 49 N HA 0.141 4.942 4.740 0.101 0.000 0.309 49 N C 0.384 175.950 175.510 0.094 0.000 1.536 49 N CA -0.515 52.598 53.050 0.105 0.000 0.954 49 N CB -0.349 38.232 38.487 0.156 0.000 1.310 49 N HN -0.261 8.103 8.380 0.071 0.058 0.502 50 G N 0.224 109.063 108.800 0.065 0.000 2.785 50 G HA2 -0.349 3.638 3.960 0.045 0.000 0.225 50 G HA3 -0.349 3.635 3.960 0.040 0.000 0.225 50 G C -0.533 174.402 174.900 0.059 0.000 1.093 50 G CA 1.770 46.901 45.100 0.051 0.000 0.740 50 G HN 0.530 8.796 8.290 0.055 0.057 0.629 51 T N -4.180 110.421 114.554 0.078 0.000 3.105 51 T HA 0.330 4.824 4.350 0.079 -0.096 0.321 51 T C -2.165 172.615 174.700 0.134 0.000 1.135 51 T CA -1.464 60.687 62.100 0.086 0.000 1.053 51 T CB 2.833 71.736 68.868 0.057 0.000 1.133 51 T HN -0.681 7.573 8.240 0.083 0.036 0.463 52 L N 0.083 121.412 121.223 0.177 0.000 2.676 52 L HA 0.823 5.450 4.340 0.224 -0.153 0.262 52 L C -2.272 174.775 176.870 0.295 0.000 0.932 52 L CA -0.215 54.785 54.840 0.267 0.000 0.932 52 L CB 3.146 45.439 42.059 0.390 0.000 1.355 52 L HN 1.075 9.328 8.230 0.157 0.071 0.421 53 T N 6.362 121.073 114.554 0.262 0.000 2.909 53 T HA 0.291 4.890 4.350 0.211 -0.123 0.289 53 T C -1.620 173.293 174.700 0.356 0.000 1.005 53 T CA 1.351 63.596 62.100 0.243 0.000 1.084 53 T CB 1.075 70.038 68.868 0.159 0.000 0.975 53 T HN 0.262 8.635 8.240 0.223 0.000 0.509 54 L N 1.790 123.196 121.223 0.305 0.000 2.470 54 L HA 0.971 5.805 4.340 0.527 -0.178 0.268 54 L C -2.553 174.431 176.870 0.191 0.000 0.964 54 L CA -1.065 53.997 54.840 0.369 0.000 0.839 54 L CB 3.579 45.811 42.059 0.288 0.000 1.276 54 L HN 0.500 8.869 8.230 0.231 0.000 0.403 55 S N 2.622 118.459 115.700 0.228 0.000 2.475 55 S HA 0.367 4.982 4.470 0.075 -0.100 0.298 55 S C -1.180 173.517 174.600 0.161 0.000 1.119 55 S CA -2.166 56.115 58.200 0.134 0.000 1.085 55 S CB 1.850 65.124 63.200 0.123 0.000 1.028 55 S HN 0.604 9.099 8.310 0.309 0.000 0.489 56 A N 5.067 127.933 122.820 0.077 0.000 2.420 56 A HA 0.547 4.997 4.320 0.217 0.000 0.291 56 A C 0.648 178.279 177.584 0.078 0.000 1.228 56 A CA -2.394 49.703 52.037 0.101 0.000 0.933 56 A CB 2.095 21.089 19.000 -0.010 0.000 1.428 56 A HN 1.213 9.231 8.150 0.026 0.148 0.493 57 Q N -0.948 118.895 119.800 0.071 0.000 2.336 57 Q HA -0.140 4.232 4.340 0.054 0.000 0.231 57 Q C -0.529 175.489 176.000 0.029 0.000 0.900 57 Q CA 1.129 56.962 55.803 0.051 0.000 0.966 57 Q CB -1.653 27.115 28.738 0.049 0.000 1.219 57 Q HN 0.682 9.002 8.270 0.082 0.000 0.412 58 G N -3.945 104.869 108.800 0.024 0.000 4.073 58 G HA2 -0.081 3.886 3.960 0.013 0.000 0.183 58 G HA3 -0.081 3.882 3.960 0.005 0.000 0.183 58 G C -2.147 172.757 174.900 0.007 0.000 0.873 58 G CA 0.439 45.545 45.100 0.011 0.000 0.937 58 G HN -0.164 8.018 8.290 0.030 0.127 0.344 59 A N -0.648 122.174 122.820 0.002 0.000 2.568 59 A HA 0.277 4.601 4.320 0.006 0.000 0.291 59 A C -2.828 174.754 177.584 -0.002 0.000 1.159 59 A CA -0.311 51.725 52.037 -0.001 0.000 0.679 59 A CB 1.639 20.631 19.000 -0.014 0.000 1.285 59 A HN -0.571 7.579 8.150 0.000 0.000 0.428 60 E N -1.989 118.212 120.200 0.003 0.000 2.416 60 E HA 0.966 5.414 4.350 -0.005 -0.102 0.273 60 E C -1.939 174.670 176.600 0.015 0.000 0.935 60 E CA -1.464 54.944 56.400 0.015 0.000 0.784 60 E CB 4.039 33.770 29.700 0.050 0.000 1.301 60 E HN 0.095 8.457 8.360 0.003 0.000 0.454 61 K N 0.385 120.815 120.400 0.050 0.000 2.551 61 K HA 0.296 4.612 4.320 -0.006 0.000 0.269 61 K C -2.297 174.363 176.600 0.099 0.000 0.949 61 K CA -0.944 55.371 56.287 0.046 0.000 0.849 61 K CB 3.843 36.394 32.500 0.084 0.000 1.411 61 K HN 0.928 9.110 8.250 0.067 0.108 0.432 62 T N 4.038 118.569 114.554 -0.038 0.000 2.780 62 T HA 0.058 4.573 4.350 0.107 -0.100 0.294 62 T C -0.765 173.837 174.700 -0.162 0.000 0.949 62 T CA 0.292 62.386 62.100 -0.010 0.000 1.074 62 T CB -0.387 68.453 68.868 -0.045 0.000 0.910 62 T HN 0.239 8.416 8.240 -0.105 0.000 0.501 63 Y N 5.972 126.270 120.300 -0.003 0.000 2.662 63 Y HA 0.247 4.978 4.550 -0.040 -0.204 0.335 63 Y C -1.290 174.629 175.900 0.032 0.000 1.066 63 Y CA -1.350 56.738 58.100 -0.020 0.000 1.116 63 Y CB 4.881 43.295 38.460 -0.077 0.000 1.308 63 Y HN 0.948 9.273 8.280 0.277 0.121 0.502 64 G N -4.061 104.864 108.800 0.209 0.000 2.352 64 G HA2 -0.148 3.929 3.960 0.172 0.000 0.302 64 G HA3 -0.148 4.041 3.960 0.116 -0.158 0.302 64 G C -2.579 172.381 174.900 0.101 0.000 1.370 64 G CA -0.436 44.752 45.100 0.146 0.000 0.918 64 G HN 0.010 8.367 8.290 0.254 0.085 0.610 65 N N 2.515 121.264 118.700 0.081 0.000 2.301 65 N HA -0.563 4.215 4.740 0.063 0.000 0.267 65 N C 1.220 176.752 175.510 0.037 0.000 1.304 65 N CA 2.274 55.358 53.050 0.057 0.000 0.851 65 N CB -0.124 38.391 38.487 0.046 0.000 1.070 65 N HN -0.226 8.076 8.380 0.085 0.129 0.483 66 G N 6.753 115.571 108.800 0.031 0.000 2.195 66 G HA2 -0.386 3.682 3.960 0.010 0.000 0.246 66 G HA3 -0.386 3.576 3.960 0.004 0.000 0.246 66 G C -0.394 174.501 174.900 -0.008 0.000 0.984 66 G CA -0.102 45.004 45.100 0.010 0.000 0.633 66 G HN 0.205 8.520 8.290 0.041 0.000 0.525 67 D N 1.302 121.702 120.400 0.001 0.000 2.414 67 D HA 0.118 4.684 4.640 -0.124 0.000 0.259 67 D C -1.177 175.095 176.300 -0.046 0.000 1.269 67 D CA 1.876 55.835 54.000 -0.068 0.000 1.028 67 D CB 1.449 42.223 40.800 -0.043 0.000 1.093 67 D HN 0.127 8.341 8.370 0.037 0.178 0.545 68 S N -3.041 112.578 115.700 -0.136 0.000 2.651 68 S HA 0.134 4.635 4.470 0.031 -0.013 0.279 68 S C -1.922 172.718 174.600 0.068 0.000 1.148 68 S CA -1.001 57.181 58.200 -0.030 0.000 0.837 68 S CB 2.906 66.063 63.200 -0.072 0.000 1.138 68 S HN 0.156 8.255 8.310 -0.351 0.000 0.478 69 L N -1.030 120.264 121.223 0.118 0.000 2.376 69 L HA 0.616 5.130 4.340 0.290 0.000 0.258 69 L C -2.418 174.475 176.870 0.038 0.000 1.013 69 L CA -0.748 54.190 54.840 0.163 0.000 0.822 69 L CB 5.199 47.324 42.059 0.110 0.000 1.388 69 L HN 0.442 8.594 8.230 0.062 0.115 0.413 70 N N 3.602 122.310 118.700 0.013 0.000 2.549 70 N HA 0.449 5.182 4.740 -0.013 0.000 0.281 70 N C -1.636 173.855 175.510 -0.032 0.000 1.084 70 N CA 0.289 53.330 53.050 -0.014 0.000 0.862 70 N CB 2.371 40.847 38.487 -0.017 0.000 1.333 70 N HN 0.298 8.693 8.380 0.024 0.000 0.523 71 T N -0.840 113.695 114.554 -0.032 0.000 3.293 71 T HA 0.256 4.578 4.350 -0.047 0.000 0.276 71 T C 0.969 175.653 174.700 -0.027 0.000 1.003 71 T CA -1.732 60.345 62.100 -0.038 0.000 0.916 71 T CB -0.424 68.418 68.868 -0.043 0.000 1.134 71 T HN 0.226 8.451 8.240 -0.025 0.000 0.530 72 G N 1.878 110.665 108.800 -0.023 0.000 2.527 72 G HA2 -0.308 3.854 3.960 -0.019 0.000 0.219 72 G HA3 -0.308 3.786 3.960 -0.018 -0.145 0.219 72 G C -0.430 174.460 174.900 -0.017 0.000 1.117 72 G CA 1.330 46.419 45.100 -0.019 0.000 0.759 72 G HN -0.372 7.838 8.290 -0.023 0.066 0.556 73 K N -2.893 117.495 120.400 -0.019 0.000 2.244 73 K HA -0.030 4.283 4.320 -0.012 0.000 0.200 73 K C 0.283 176.874 176.600 -0.016 0.000 1.052 73 K CA -0.272 56.006 56.287 -0.016 0.000 0.980 73 K CB 0.407 32.896 32.500 -0.018 0.000 0.838 73 K HN -0.226 7.921 8.250 -0.024 0.089 0.481 74 L N -1.350 119.860 121.223 -0.021 0.000 2.527 74 L HA -0.299 4.029 4.340 -0.020 0.000 0.308 74 L C 0.099 176.964 176.870 -0.008 0.000 1.294 74 L CA 1.749 56.579 54.840 -0.017 0.000 0.838 74 L CB 0.435 42.482 42.059 -0.019 0.000 1.077 74 L HN -0.711 7.415 8.230 -0.027 0.088 0.552 75 K N 0.188 120.590 120.400 0.002 0.000 1.995 75 K HA 0.114 4.430 4.320 -0.006 0.000 0.244 75 K C 0.690 177.298 176.600 0.014 0.000 1.045 75 K CA -1.669 54.621 56.287 0.004 0.000 0.905 75 K CB 1.891 34.397 32.500 0.010 0.000 1.543 75 K HN -0.268 7.986 8.250 0.007 0.000 0.609 76 N N -1.243 117.464 118.700 0.012 0.000 2.244 76 N HA -0.266 4.594 4.740 -0.002 -0.121 0.183 76 N C -1.210 174.343 175.510 0.071 0.000 1.016 76 N CA 2.405 55.466 53.050 0.019 0.000 0.866 76 N CB 0.704 39.194 38.487 0.005 0.000 0.980 76 N HN 0.157 8.541 8.380 0.007 0.000 0.430 77 D N -6.302 114.151 120.400 0.088 0.000 2.656 77 D HA 0.318 5.286 4.640 0.212 -0.200 0.303 77 D C -1.035 175.371 176.300 0.177 0.000 1.199 77 D CA -1.646 52.452 54.000 0.163 0.000 0.797 77 D CB -0.141 40.737 40.800 0.130 0.000 1.170 77 D HN -0.324 8.063 8.370 0.063 0.021 0.509 78 K N 0.510 120.989 120.400 0.131 0.000 2.156 78 K HA 0.493 4.824 4.320 0.018 0.000 0.250 78 K C -2.052 174.449 176.600 -0.165 0.000 0.955 78 K CA -1.983 54.313 56.287 0.016 0.000 0.855 78 K CB 3.504 36.000 32.500 -0.008 0.000 1.101 78 K HN -0.227 8.102 8.250 0.132 0.000 0.434 79 V N -0.200 119.486 119.914 -0.380 0.000 2.994 79 V HA 0.438 3.886 4.120 -1.266 -0.087 0.318 79 V C -0.152 175.732 176.094 -0.350 0.000 1.085 79 V CA -2.094 59.709 62.300 -0.827 0.000 0.998 79 V CB 2.573 33.794 31.823 -1.003 0.000 1.063 79 V HN 0.192 8.247 8.190 -0.225 0.000 0.447 80 S N 2.903 118.438 115.700 -0.276 0.000 2.386 80 S HA 0.174 4.675 4.470 0.051 0.000 0.152 80 S C -1.590 173.030 174.600 0.033 0.000 1.511 80 S CA -0.599 57.611 58.200 0.018 0.000 1.246 80 S CB 0.449 63.687 63.200 0.063 0.000 1.338 80 S HN 0.304 8.312 8.310 -0.408 0.057 0.409 81 R N 3.177 123.677 120.500 -0.001 0.000 2.338 81 R HA 1.016 5.243 4.340 -0.500 -0.187 0.317 81 R C -0.621 175.680 176.300 0.000 0.000 0.968 81 R CA -1.808 54.177 56.100 -0.192 0.000 0.849 81 R CB 0.782 31.047 30.300 -0.058 0.000 1.128 81 R HN -0.232 8.055 8.270 0.029 0.000 0.448 82 F N -0.660 119.367 119.950 0.129 0.000 2.686 82 F HA 0.346 4.935 4.527 0.104 0.000 0.311 82 F C -2.505 173.481 175.800 0.309 0.000 1.128 82 F CA -1.885 56.203 58.000 0.146 0.000 0.946 82 F CB 2.583 41.610 39.000 0.044 0.000 1.336 82 F HN -0.015 7.561 8.300 -1.207 0.000 0.457 83 D N 0.053 120.705 120.400 0.419 0.000 2.210 83 D HA 0.457 5.334 4.640 0.207 -0.113 0.249 83 D C -1.303 175.289 176.300 0.486 0.000 1.062 83 D CA -0.326 53.861 54.000 0.311 0.000 0.891 83 D CB 2.975 43.867 40.800 0.152 0.000 1.186 83 D HN -0.212 8.378 8.370 0.367 0.000 0.432 84 F N -0.219 119.863 119.950 0.219 0.000 2.678 84 F HA 1.005 5.783 4.527 0.195 -0.134 0.308 84 F C -2.743 173.145 175.800 0.146 0.000 1.118 84 F CA -1.742 56.394 58.000 0.227 0.000 0.959 84 F CB 3.216 42.446 39.000 0.384 0.000 1.305 84 F HN 0.218 8.362 8.300 -0.260 0.000 0.443 85 I N 0.884 121.548 120.570 0.157 0.000 2.362 85 I HA 0.408 4.608 4.170 -0.163 -0.127 0.289 85 I C -1.006 175.221 176.117 0.183 0.000 0.994 85 I CA -1.086 60.229 61.300 0.025 0.000 1.158 85 I CB 2.510 40.533 38.000 0.039 0.000 1.315 85 I HN 0.088 8.475 8.210 0.294 0.000 0.451 86 R N 6.906 127.491 120.500 0.141 0.000 2.272 86 R HA 0.066 4.579 4.340 0.288 0.000 0.334 86 R C -0.943 175.420 176.300 0.106 0.000 1.117 86 R CA -0.628 55.594 56.100 0.203 0.000 0.966 86 R CB -0.904 29.514 30.300 0.197 0.000 1.049 86 R HN 0.855 9.121 8.270 -0.006 0.000 0.477 87 Q N 4.625 124.488 119.800 0.105 0.000 2.340 87 Q HA 0.496 4.975 4.340 0.045 -0.113 0.268 87 Q C -1.381 174.654 176.000 0.058 0.000 1.031 87 Q CA -0.856 54.985 55.803 0.063 0.000 0.804 87 Q CB 3.736 32.507 28.738 0.055 0.000 1.286 87 Q HN 0.927 9.177 8.270 0.135 0.100 0.448 88 I N 1.541 122.134 120.570 0.039 0.000 2.468 88 I HA 0.274 4.467 4.170 0.038 0.000 0.284 88 I C -1.319 174.810 176.117 0.020 0.000 1.038 88 I CA -0.839 60.481 61.300 0.033 0.000 1.083 88 I CB 2.117 40.136 38.000 0.032 0.000 1.223 88 I HN 0.009 8.237 8.210 0.031 0.000 0.443 89 E N 8.147 128.358 120.200 0.018 0.000 2.502 89 E HA 0.287 4.908 4.350 0.007 -0.267 0.261 89 E C -1.489 175.116 176.600 0.009 0.000 0.974 89 E CA -1.077 55.330 56.400 0.010 0.000 0.795 89 E CB 2.301 32.007 29.700 0.010 0.000 1.385 89 E HN 0.153 8.526 8.360 0.022 0.000 0.400 90 V N 5.531 125.449 119.914 0.007 0.000 3.234 90 V HA 0.126 4.250 4.120 0.007 0.000 0.317 90 V C 0.978 177.074 176.094 0.004 0.000 1.081 90 V CA -1.675 60.629 62.300 0.006 0.000 1.037 90 V CB 1.599 33.426 31.823 0.006 0.000 1.148 90 V HN 0.261 8.455 8.190 0.006 0.000 0.453 91 D N 1.841 122.243 120.400 0.003 0.000 2.371 91 D HA -0.128 4.513 4.640 0.002 0.000 0.234 91 D C -0.049 176.252 176.300 0.002 0.000 1.049 91 D CA 1.394 55.395 54.000 0.002 0.000 0.907 91 D CB -0.607 40.194 40.800 0.002 0.000 0.891 91 D HN 0.449 8.821 8.370 0.003 0.000 0.531 92 G N -2.933 105.868 108.800 0.002 0.000 5.005 92 G HA2 0.005 3.966 3.960 0.001 0.000 0.222 92 G HA3 0.005 3.966 3.960 0.002 0.000 0.222 92 G C -1.921 172.979 174.900 0.001 0.000 1.437 92 G CA 0.137 45.238 45.100 0.001 0.000 0.894 92 G HN 0.006 8.175 8.290 0.002 0.123 0.394 93 Q N -1.722 118.079 119.800 0.002 0.000 2.634 93 Q HA 0.089 4.429 4.340 0.001 0.000 0.417 93 Q C -0.751 175.249 176.000 0.001 0.000 0.592 93 Q CA -1.377 54.427 55.803 0.002 0.000 0.952 93 Q CB 1.405 30.145 28.738 0.004 0.000 1.171 93 Q HN -0.580 7.691 8.270 0.002 0.000 0.369 94 L N 0.282 121.506 121.223 0.003 0.000 2.517 94 L HA -0.167 4.173 4.340 -0.000 0.000 0.294 94 L C -0.826 176.045 176.870 0.001 0.000 1.264 94 L CA 1.859 56.701 54.840 0.003 0.000 0.839 94 L CB 0.370 42.435 42.059 0.009 0.000 1.098 94 L HN 0.145 8.378 8.230 0.005 0.000 0.525 95 I N -0.683 119.886 120.570 -0.002 0.000 2.612 95 I HA 0.091 4.322 4.170 0.001 -0.061 0.273 95 I C -1.642 174.469 176.117 -0.010 0.000 1.266 95 I CA 0.189 61.487 61.300 -0.005 0.000 1.125 95 I CB 1.419 39.413 38.000 -0.010 0.000 1.382 95 I HN 0.095 8.302 8.210 -0.004 0.000 0.463 96 T N 4.223 118.775 114.554 -0.002 0.000 2.669 96 T HA 0.259 4.601 4.350 -0.013 0.000 0.305 96 T C -2.753 171.950 174.700 0.004 0.000 1.838 96 T CA -0.663 61.433 62.100 -0.006 0.000 0.978 96 T CB 2.719 71.580 68.868 -0.012 0.000 1.851 96 T HN -0.010 8.233 8.240 0.005 0.000 0.503 97 L N -0.442 120.781 121.223 0.000 0.000 2.455 97 L HA 0.315 4.667 4.340 0.020 0.000 0.264 97 L C -2.421 174.446 176.870 -0.005 0.000 0.968 97 L CA -0.063 54.781 54.840 0.007 0.000 0.827 97 L CB 3.690 45.754 42.059 0.008 0.000 1.317 97 L HN 0.372 8.598 8.230 -0.008 0.000 0.407 98 E N 1.506 121.701 120.200 -0.008 0.000 2.278 98 E HA 0.464 4.899 4.350 -0.038 -0.108 0.272 98 E C -1.954 174.598 176.600 -0.080 0.000 0.890 98 E CA -1.534 54.843 56.400 -0.038 0.000 0.770 98 E CB 3.465 33.145 29.700 -0.035 0.000 1.212 98 E HN 0.059 8.322 8.360 0.009 0.103 0.415 99 S N 3.194 118.832 115.700 -0.103 0.000 2.617 99 S HA 0.289 4.638 4.470 -0.202 0.000 0.283 99 S C -1.063 173.380 174.600 -0.261 0.000 1.189 99 S CA -1.079 57.017 58.200 -0.173 0.000 1.036 99 S CB 1.452 64.591 63.200 -0.101 0.000 1.014 99 S HN 0.552 8.714 8.310 -0.077 0.101 0.522 100 G N 0.840 109.379 108.800 -0.434 0.000 2.430 100 G HA2 0.235 4.044 3.960 -0.241 0.000 0.300 100 G HA3 0.235 4.078 3.960 -0.457 -0.158 0.300 100 G C -3.705 170.879 174.900 -0.527 0.000 1.330 100 G CA 0.004 44.847 45.100 -0.428 0.000 0.813 100 G HN -0.172 7.810 8.290 -0.513 0.000 0.487 101 E N -1.713 118.300 120.200 -0.312 0.000 2.222 101 E HA 0.516 4.823 4.350 -0.071 0.000 0.267 101 E C -2.301 174.337 176.600 0.064 0.000 0.963 101 E CA -1.889 54.442 56.400 -0.116 0.000 0.837 101 E CB 4.076 33.757 29.700 -0.032 0.000 1.183 101 E HN 0.171 8.243 8.360 -0.223 0.154 0.403 102 F N 0.649 120.593 119.950 -0.010 0.000 2.532 102 F HA 0.504 5.147 4.527 0.035 -0.095 0.321 102 F C -1.750 173.684 175.800 -0.610 0.000 1.089 102 F CA -1.788 56.043 58.000 -0.281 0.000 0.926 102 F CB 4.176 42.571 39.000 -1.009 0.000 1.168 102 F HN 0.538 8.892 8.300 0.090 0.000 0.459 103 Q N 4.836 124.653 119.800 0.029 0.000 2.414 103 Q HA 0.376 4.608 4.340 -0.181 0.000 0.256 103 Q C -2.418 173.596 176.000 0.024 0.000 0.974 103 Q CA -0.795 54.943 55.803 -0.107 0.000 0.723 103 Q CB 2.373 30.944 28.738 -0.277 0.000 1.281 103 Q HN 0.986 9.273 8.270 0.176 0.089 0.470 104 V N 4.265 124.164 119.914 -0.026 0.000 2.378 104 V HA 0.183 4.483 4.120 0.107 -0.116 0.288 104 V C -1.819 174.268 176.094 -0.011 0.000 1.016 104 V CA -0.583 61.739 62.300 0.036 0.000 0.840 104 V CB 1.223 33.037 31.823 -0.015 0.000 0.994 104 V HN 0.602 8.578 8.190 -0.133 0.134 0.431 105 Y N 8.320 128.642 120.300 0.037 0.000 2.457 105 Y HA 0.401 5.119 4.550 0.053 -0.136 0.333 105 Y C -1.364 174.570 175.900 0.056 0.000 1.119 105 Y CA -0.799 57.335 58.100 0.057 0.000 1.143 105 Y CB 4.358 42.870 38.460 0.087 0.000 1.230 105 Y HN 1.384 9.702 8.280 0.255 0.115 0.469 106 K N 1.049 121.607 120.400 0.263 0.000 2.345 106 K HA 0.382 4.788 4.320 0.143 0.000 0.255 106 K C -1.636 175.082 176.600 0.197 0.000 0.934 106 K CA -2.181 54.206 56.287 0.167 0.000 0.801 106 K CB 3.350 35.895 32.500 0.076 0.000 1.137 106 K HN 0.937 9.256 8.250 0.288 0.104 0.424 107 Q N 3.966 123.863 119.800 0.162 0.000 3.042 107 Q HA 0.461 5.028 4.340 0.176 -0.122 0.201 107 Q C 1.507 177.552 176.000 0.075 0.000 1.156 107 Q CA -0.687 55.209 55.803 0.154 0.000 0.440 107 Q CB 1.252 30.107 28.738 0.196 0.000 5.406 107 Q HN -0.184 8.169 8.270 0.139 0.000 0.316 108 S N -0.946 114.784 115.700 0.050 0.000 2.460 108 S HA -0.100 4.312 4.470 -0.096 0.000 0.226 108 S C 1.393 175.857 174.600 -0.227 0.000 1.057 108 S CA 2.376 60.522 58.200 -0.089 0.000 0.948 108 S CB -0.121 63.039 63.200 -0.066 0.000 0.822 108 S HN 0.406 8.778 8.310 0.103 0.000 0.512 109 H N -1.195 117.905 119.070 0.049 0.000 3.091 109 H HA 0.137 4.708 4.556 0.025 0.000 0.249 109 H C -0.345 174.999 175.328 0.025 0.000 0.985 109 H CA 0.333 56.399 56.048 0.029 0.000 1.177 109 H CB 1.438 31.211 29.762 0.019 0.000 1.456 109 H HN 0.235 8.597 8.280 0.137 0.000 0.467 110 S N -2.181 113.609 115.700 0.150 0.000 2.702 110 S HA 0.349 4.866 4.470 0.078 0.000 0.272 110 S C -1.946 172.706 174.600 0.087 0.000 1.068 110 S CA -0.977 57.278 58.200 0.091 0.000 0.964 110 S CB 2.360 65.592 63.200 0.053 0.000 1.307 110 S HN -0.455 7.951 8.310 0.160 0.000 0.567 111 A N -1.591 121.273 122.820 0.072 0.000 2.544 111 A HA 0.172 4.569 4.320 0.127 0.000 0.291 111 A C -2.538 175.080 177.584 0.056 0.000 1.055 111 A CA -0.121 51.969 52.037 0.088 0.000 0.651 111 A CB 2.294 21.339 19.000 0.074 0.000 1.296 111 A HN -0.278 7.903 8.150 0.052 0.000 0.431 112 L N -5.822 115.457 121.223 0.093 0.000 2.470 112 L HA 0.747 5.364 4.340 -0.002 -0.278 0.268 112 L C -1.102 175.830 176.870 0.103 0.000 0.964 112 L CA -0.889 53.982 54.840 0.052 0.000 0.839 112 L CB 3.069 45.141 42.059 0.021 0.000 1.276 112 L HN 0.654 8.864 8.230 0.155 0.113 0.403 113 T N 3.772 118.367 114.554 0.069 0.000 2.919 113 T HA 0.772 5.312 4.350 0.127 -0.114 0.282 113 T C -1.332 173.388 174.700 0.034 0.000 1.020 113 T CA -1.542 60.617 62.100 0.098 0.000 0.994 113 T CB 2.799 71.748 68.868 0.134 0.000 1.180 113 T HN 0.138 8.245 8.240 0.037 0.155 0.566 114 A N 0.797 123.619 122.820 0.004 0.000 2.518 114 A HA 0.292 4.620 4.320 -0.110 -0.074 0.295 114 A C -2.853 174.588 177.584 -0.238 0.000 1.052 114 A CA 0.107 52.058 52.037 -0.144 0.000 0.824 114 A CB 2.141 20.952 19.000 -0.314 0.000 1.325 114 A HN 0.518 8.736 8.150 0.114 0.000 0.394 115 L N 3.209 124.274 121.223 -0.263 0.000 2.325 115 L HA 0.446 4.443 4.340 -0.572 0.000 0.279 115 L C -0.925 175.851 176.870 -0.157 0.000 1.054 115 L CA -0.957 53.674 54.840 -0.348 0.000 0.804 115 L CB 2.262 44.129 42.059 -0.318 0.000 1.200 115 L HN 1.101 9.087 8.230 -0.196 0.126 0.436 116 Q N 2.098 121.815 119.800 -0.137 0.000 2.394 116 Q HA 0.493 5.013 4.340 0.094 -0.124 0.273 116 Q C -1.340 174.593 176.000 -0.111 0.000 1.089 116 Q CA -1.427 54.361 55.803 -0.026 0.000 0.812 116 Q CB 4.764 33.503 28.738 0.003 0.000 1.353 116 Q HN 0.784 8.861 8.270 -0.180 0.085 0.438 117 T N 1.432 115.962 114.554 -0.040 0.000 2.930 117 T HA 0.388 4.751 4.350 -0.178 -0.119 0.290 117 T C -1.233 173.439 174.700 -0.046 0.000 1.052 117 T CA -1.602 60.444 62.100 -0.090 0.000 1.017 117 T CB 2.798 71.630 68.868 -0.059 0.000 1.137 117 T HN 0.118 8.304 8.240 0.053 0.086 0.511 118 E N 2.722 122.881 120.200 -0.067 0.000 2.652 118 E HA 0.292 4.731 4.350 -0.013 -0.097 0.197 118 E C -1.356 175.223 176.600 -0.036 0.000 0.936 118 E CA 0.044 56.421 56.400 -0.038 0.000 1.638 118 E CB 3.377 33.048 29.700 -0.048 0.000 1.884 118 E HN 0.552 8.854 8.360 -0.097 0.000 1.005 119 Q N -1.673 118.097 119.800 -0.051 0.000 2.377 119 Q HA 0.345 4.774 4.340 -0.027 -0.105 0.279 119 Q C -2.033 173.942 176.000 -0.041 0.000 1.049 119 Q CA -0.484 55.297 55.803 -0.038 0.000 0.825 119 Q CB 4.924 33.641 28.738 -0.035 0.000 1.401 119 Q HN -0.537 7.689 8.270 -0.075 0.000 0.404 120 E N 0.033 120.215 120.200 -0.029 0.000 2.446 120 E HA 0.526 4.970 4.350 -0.032 -0.113 0.269 120 E C -2.162 174.426 176.600 -0.020 0.000 0.977 120 E CA -1.468 54.915 56.400 -0.027 0.000 0.854 120 E CB 4.896 34.580 29.700 -0.027 0.000 1.545 120 E HN 0.162 8.387 8.360 -0.023 0.121 0.448 121 Q N -2.585 117.203 119.800 -0.020 0.000 2.391 121 Q HA 0.251 4.587 4.340 -0.016 -0.005 0.279 121 Q C -2.067 173.916 176.000 -0.029 0.000 1.028 121 Q CA -0.617 55.174 55.803 -0.020 0.000 0.836 121 Q CB 5.009 33.737 28.738 -0.017 0.000 1.414 121 Q HN 0.077 8.335 8.270 -0.021 0.000 0.397 122 D N 1.672 122.050 120.400 -0.037 0.000 2.440 122 D HA 0.526 5.129 4.640 -0.061 0.000 0.252 122 D C -1.269 174.963 176.300 -0.113 0.000 1.180 122 D CA -2.400 51.560 54.000 -0.067 0.000 0.894 122 D CB 2.915 43.682 40.800 -0.056 0.000 1.111 122 D HN 0.621 8.942 8.370 -0.029 0.031 0.544 123 P HA 0.190 4.548 4.420 -0.103 0.000 0.249 123 P C -1.145 176.019 177.300 -0.227 0.000 1.686 123 P CA 0.135 63.160 63.100 -0.125 0.000 0.873 123 P CB -1.150 30.505 31.700 -0.074 0.000 1.828 124 E N -1.299 118.630 120.200 -0.450 0.000 2.276 124 E HA -0.130 3.945 4.350 -0.457 0.000 0.193 124 E C -0.077 175.870 176.600 -1.089 0.000 0.983 124 E CA 1.198 57.069 56.400 -0.882 0.000 0.861 124 E CB 0.878 29.812 29.700 -1.276 0.000 0.817 124 E HN 0.327 8.341 8.360 -0.413 0.098 0.485 125 H N -4.301 114.769 119.070 0.000 0.000 3.582 125 H HA 0.083 4.639 4.556 0.001 0.000 0.110 125 H C 0.353 175.681 175.328 0.000 0.000 1.280 125 H CA 0.104 56.152 56.048 0.000 0.000 1.036 125 H CB -0.004 29.758 29.762 -0.000 0.000 0.848 125 H HN -0.660 7.297 8.280 -0.538 0.000 0.182 126 S N 0.780 116.640 115.700 0.266 0.000 2.749 126 S HA 0.153 4.670 4.470 0.078 0.000 0.246 126 S C -0.165 174.501 174.600 0.110 0.000 1.023 126 S CA 0.246 58.526 58.200 0.133 0.000 1.012 126 S CB -0.217 63.050 63.200 0.111 0.000 0.942 126 S HN 0.110 8.773 8.310 0.588 0.000 0.531 127 E N -0.075 120.182 120.200 0.095 0.000 2.476 127 E HA 0.029 4.415 4.350 0.059 0.000 0.196 127 E C 0.004 176.597 176.600 -0.012 0.000 1.029 127 E CA -0.200 56.227 56.400 0.045 0.000 0.896 127 E CB 0.302 30.035 29.700 0.056 0.000 1.012 127 E HN -0.266 8.065 8.360 0.060 0.065 0.475 128 K N -1.169 119.216 120.400 -0.026 0.000 3.187 128 K HA -0.181 4.115 4.320 -0.044 -0.002 0.274 128 K C -1.445 175.147 176.600 -0.014 0.000 0.790 128 K CA 0.487 56.756 56.287 -0.030 0.000 1.041 128 K CB -2.815 29.670 32.500 -0.026 0.000 0.976 128 K HN 0.214 8.389 8.250 -0.020 0.063 0.438 129 M N -5.268 114.327 119.600 -0.009 0.000 2.414 129 M HA 0.329 4.923 4.480 -0.009 -0.119 0.287 129 M C -2.467 173.831 176.300 -0.004 0.000 1.181 129 M CA 0.031 55.328 55.300 -0.005 0.000 0.933 129 M CB 3.324 35.924 32.600 0.001 0.000 1.732 129 M HN -0.010 8.122 8.290 -0.007 0.154 0.486 130 V N -1.943 117.966 119.914 -0.008 0.000 3.232 130 V HA 0.465 4.583 4.120 -0.003 0.000 0.303 130 V C -1.764 174.325 176.094 -0.010 0.000 1.311 130 V CA -1.343 60.952 62.300 -0.007 0.000 1.061 130 V CB 4.765 36.581 31.823 -0.012 0.000 1.085 130 V HN 0.890 9.031 8.190 -0.010 0.043 0.447 131 A N 1.566 124.381 122.820 -0.008 0.000 2.480 131 A HA 0.530 4.843 4.320 -0.012 0.000 0.289 131 A C -1.770 175.812 177.584 -0.005 0.000 1.044 131 A CA -0.362 51.670 52.037 -0.008 0.000 0.761 131 A CB 1.443 20.439 19.000 -0.006 0.000 1.289 131 A HN 0.399 8.546 8.150 -0.006 0.000 0.401 132 K N 0.825 121.223 120.400 -0.004 0.000 2.960 132 K HA 0.064 4.390 4.320 0.009 0.000 0.296 132 K C -2.544 174.067 176.600 0.018 0.000 1.092 132 K CA -0.633 55.657 56.287 0.006 0.000 0.847 132 K CB 1.963 34.465 32.500 0.002 0.000 1.458 132 K HN 0.034 8.279 8.250 -0.008 0.000 0.359 133 R N -0.142 120.384 120.500 0.043 0.000 2.239 133 R HA 0.404 5.006 4.340 0.070 -0.220 0.332 133 R C -0.384 175.994 176.300 0.131 0.000 0.988 133 R CA -1.023 55.131 56.100 0.090 0.000 0.859 133 R CB 0.816 31.188 30.300 0.121 0.000 1.148 133 R HN 0.296 8.590 8.270 0.040 0.000 0.482 134 R N 4.208 124.775 120.500 0.111 0.000 2.337 134 R HA 0.257 4.668 4.340 0.119 0.000 0.319 134 R C -1.752 174.640 176.300 0.155 0.000 0.954 134 R CA -1.464 54.696 56.100 0.099 0.000 0.840 134 R CB 1.973 32.271 30.300 -0.004 0.000 1.164 134 R HN 0.391 8.703 8.270 0.070 0.000 0.472 135 F N 3.608 123.598 119.950 0.066 0.000 2.361 135 F HA 0.731 5.478 4.527 0.028 -0.204 0.364 135 F C -1.151 174.682 175.800 0.055 0.000 1.117 135 F CA -2.597 55.464 58.000 0.101 0.000 1.071 135 F CB 1.571 40.775 39.000 0.340 0.000 1.188 135 F HN 0.342 8.988 8.300 0.577 0.000 0.464 136 R N 7.582 127.914 120.500 -0.279 0.000 2.239 136 R HA 0.390 4.408 4.340 -0.538 0.000 0.332 136 R C -0.544 175.637 176.300 -0.198 0.000 0.988 136 R CA -2.110 53.784 56.100 -0.344 0.000 0.859 136 R CB 1.655 31.820 30.300 -0.225 0.000 1.148 136 R HN 0.907 8.986 8.270 -0.136 0.110 0.482 137 I N 2.703 123.181 120.570 -0.152 0.000 3.141 137 I HA -0.271 3.894 4.170 -0.010 0.000 0.295 137 I C -1.010 175.071 176.117 -0.061 0.000 1.252 137 I CA 0.947 62.227 61.300 -0.034 0.000 1.406 137 I CB 0.259 38.279 38.000 0.033 0.000 1.333 137 I HN 0.328 8.385 8.210 -0.255 0.000 0.594 138 G N 0.740 109.521 108.800 -0.032 0.000 3.243 138 G HA2 0.045 3.990 3.960 -0.026 0.000 0.248 138 G HA3 0.045 3.952 3.960 0.013 0.061 0.248 138 G C -2.774 172.125 174.900 -0.001 0.000 1.267 138 G CA -1.145 43.948 45.100 -0.012 0.000 0.906 138 G HN 0.540 8.762 8.290 -0.018 0.057 0.592 139 D N -0.329 120.082 120.400 0.020 0.000 3.888 139 D HA -0.273 4.376 4.640 0.015 0.000 0.110 139 D C 0.638 176.920 176.300 -0.029 0.000 0.927 139 D CA 1.360 55.368 54.000 0.013 0.000 0.508 139 D CB 1.030 41.854 40.800 0.040 0.000 1.015 139 D HN -0.077 8.317 8.370 0.039 0.000 0.499 140 I N -1.109 119.438 120.570 -0.039 0.000 2.361 140 I HA -0.172 3.887 4.170 -0.185 0.000 0.167 140 I C -1.196 174.798 176.117 -0.205 0.000 1.422 140 I CA 1.186 62.416 61.300 -0.117 0.000 0.586 140 I CB 0.858 38.862 38.000 0.007 0.000 1.883 140 I HN -0.144 8.063 8.210 -0.006 0.000 1.130 141 A N -2.927 119.714 122.820 -0.299 0.000 2.452 141 A HA 0.283 4.179 4.320 -0.707 0.000 0.285 141 A C 0.994 178.491 177.584 -0.145 0.000 1.209 141 A CA -1.705 49.871 52.037 -0.768 0.000 0.940 141 A CB 1.458 18.914 19.000 -2.573 0.000 1.440 141 A HN -0.687 7.433 8.150 -0.050 0.000 0.480 142 G N -2.381 106.490 108.800 0.119 0.000 2.434 142 G HA2 -0.168 3.875 3.960 0.138 0.000 0.214 142 G HA3 -0.168 4.236 3.960 0.333 -0.244 0.214 142 G C -0.059 174.893 174.900 0.087 0.000 1.202 142 G CA 1.107 46.337 45.100 0.216 0.000 0.788 142 G HN 0.077 8.743 8.290 0.359 -0.161 0.539 143 E N -0.939 119.370 120.200 0.182 0.000 2.307 143 E HA 0.174 4.290 4.350 -0.391 0.000 0.280 143 E C -1.946 174.683 176.600 0.049 0.000 0.900 143 E CA -0.703 55.656 56.400 -0.070 0.000 0.790 143 E CB 3.067 32.813 29.700 0.077 0.000 1.261 143 E HN -0.798 7.878 8.360 0.526 0.000 0.405 144 H N 5.365 124.351 119.070 -0.140 0.000 2.923 144 H HA 0.047 4.381 4.556 -0.370 0.000 0.251 144 H C -1.179 174.011 175.328 -0.230 0.000 1.741 144 H CA -0.484 55.170 56.048 -0.656 0.000 1.387 144 H CB -1.489 27.303 29.762 -1.616 0.000 1.740 144 H HN 0.263 7.852 8.280 -1.151 0.000 0.544 145 T N 1.588 116.297 114.554 0.259 0.000 2.771 145 T HA 0.082 4.710 4.350 0.464 0.000 0.281 145 T C -0.619 174.374 174.700 0.489 0.000 0.982 145 T CA -1.364 60.973 62.100 0.396 0.000 0.978 145 T CB 1.298 70.332 68.868 0.276 0.000 0.930 145 T HN -0.426 7.949 8.240 0.282 0.034 0.447 146 S N 8.279 124.274 115.700 0.492 0.000 2.546 146 S HA -0.146 4.575 4.470 0.374 -0.027 0.290 146 S C 1.267 176.133 174.600 0.443 0.000 1.262 146 S CA 0.691 59.133 58.200 0.404 0.000 1.083 146 S CB -0.081 63.311 63.200 0.320 0.000 0.859 146 S HN 0.130 8.771 8.310 0.550 0.000 0.495 147 F N 8.484 128.587 119.950 0.255 0.000 2.323 147 F HA -0.316 4.329 4.527 0.197 0.000 0.301 147 F C 1.474 177.370 175.800 0.161 0.000 1.060 147 F CA 2.414 60.546 58.000 0.219 0.000 1.398 147 F CB -0.059 39.113 39.000 0.287 0.000 1.075 147 F HN 0.569 9.235 8.300 0.660 0.030 0.540 148 D N -1.500 119.078 120.400 0.298 0.000 2.354 148 D HA -0.263 4.483 4.640 0.176 0.000 0.216 148 D C 0.877 177.241 176.300 0.107 0.000 0.970 148 D CA 2.057 56.165 54.000 0.180 0.000 0.905 148 D CB -0.241 40.660 40.800 0.168 0.000 0.903 148 D HN 0.070 8.572 8.370 0.341 0.072 0.508 149 K N -3.301 117.159 120.400 0.100 0.000 2.555 149 K HA -0.109 4.245 4.320 0.056 0.000 0.193 149 K C 0.046 176.632 176.600 -0.024 0.000 1.032 149 K CA -0.388 55.928 56.287 0.048 0.000 1.004 149 K CB -0.351 32.193 32.500 0.073 0.000 0.804 149 K HN 0.171 8.320 8.250 0.153 0.192 0.496 150 L N -9.031 112.154 121.223 -0.064 0.000 2.305 150 L HA 0.418 4.702 4.340 -0.093 0.000 0.269 150 L C -3.437 173.340 176.870 -0.154 0.000 1.347 150 L CA -0.870 53.892 54.840 -0.130 0.000 0.660 150 L CB -0.294 41.647 42.059 -0.196 0.000 0.899 150 L HN -0.385 7.721 8.230 -0.029 0.106 0.538 151 P HA 0.341 4.920 4.420 0.266 0.000 0.262 151 P C -1.387 175.949 177.300 0.060 0.000 1.620 151 P CA -0.296 62.893 63.100 0.149 0.000 1.089 151 P CB 0.136 31.964 31.700 0.213 0.000 1.601 152 K N 3.193 123.394 120.400 -0.331 0.000 2.797 152 K HA 0.149 4.393 4.320 -0.125 0.000 0.234 152 K C -0.838 175.000 176.600 -1.270 0.000 1.805 152 K CA 0.505 56.519 56.287 -0.456 0.000 1.052 152 K CB 1.679 33.976 32.500 -0.338 0.000 2.129 152 K HN -0.360 7.532 8.250 -0.597 0.000 0.412 153 D N -1.709 117.812 120.400 -1.465 0.000 3.118 153 D HA 0.162 3.658 4.640 -1.907 0.000 0.352 153 D C -1.388 174.416 176.300 -0.826 0.000 1.498 153 D CA 0.031 53.232 54.000 -1.331 0.000 0.759 153 D CB 0.970 41.509 40.800 -0.435 0.000 1.251 153 D HN 0.034 7.806 8.370 -0.997 0.000 0.504 154 V N 1.051 120.411 119.914 -0.924 0.000 2.348 154 V HA 0.085 4.085 4.120 -0.201 0.000 0.270 154 V C -1.003 175.171 176.094 0.133 0.000 1.037 154 V CA -0.948 61.199 62.300 -0.255 0.000 0.872 154 V CB 0.936 32.572 31.823 -0.311 0.000 1.002 154 V HN 0.082 7.276 8.190 -1.661 0.000 0.464 155 M N 8.979 128.668 119.600 0.149 0.000 2.364 155 M HA -0.075 4.833 4.480 0.329 -0.231 0.342 155 M C -0.889 175.550 176.300 0.232 0.000 1.601 155 M CA 0.290 55.730 55.300 0.232 0.000 1.156 155 M CB 0.456 33.147 32.600 0.152 0.000 1.912 155 M HN 0.432 8.757 8.290 0.058 0.000 0.460 156 A N 7.590 130.612 122.820 0.337 0.000 2.391 156 A HA 0.214 4.816 4.320 0.470 0.000 0.316 156 A C -1.165 176.801 177.584 0.637 0.000 1.381 156 A CA -0.912 51.461 52.037 0.558 0.000 0.998 156 A CB 0.654 19.933 19.000 0.464 0.000 1.147 156 A HN 0.004 8.357 8.150 0.333 -0.003 0.545 157 T N 7.039 121.773 114.554 0.299 0.000 2.823 157 T HA 0.264 5.037 4.350 0.423 -0.169 0.279 157 T C -1.420 173.273 174.700 -0.012 0.000 0.998 157 T CA 0.035 62.290 62.100 0.259 0.000 0.994 157 T CB 1.993 70.918 68.868 0.094 0.000 0.960 157 T HN -0.044 8.240 8.240 0.072 0.000 0.448 158 Y N 3.270 123.600 120.300 0.049 0.000 2.524 158 Y HA 0.350 5.043 4.550 -0.032 -0.162 0.347 158 Y C -2.144 173.676 175.900 -0.133 0.000 1.005 158 Y CA -1.474 56.602 58.100 -0.040 0.000 1.025 158 Y CB 4.218 42.640 38.460 -0.063 0.000 1.275 158 Y HN 0.813 9.264 8.280 0.454 0.101 0.460 159 R N 0.052 120.529 120.500 -0.038 0.000 2.626 159 R HA 0.722 5.016 4.340 -0.283 -0.124 0.274 159 R C -2.286 173.950 176.300 -0.106 0.000 1.031 159 R CA -1.547 54.467 56.100 -0.143 0.000 0.898 159 R CB 4.250 34.491 30.300 -0.098 0.000 1.222 159 R HN 0.090 8.341 8.270 -0.031 0.000 0.455 160 G N 1.740 110.464 108.800 -0.126 0.000 2.619 160 G HA2 0.465 4.469 3.960 0.073 0.000 0.146 160 G HA3 0.465 4.485 3.960 -0.131 -0.139 0.146 160 G C -2.622 172.290 174.900 0.020 0.000 1.192 160 G CA 1.094 46.178 45.100 -0.028 0.000 1.063 160 G HN 0.768 8.938 8.290 -0.200 0.000 0.538 161 T N 2.721 117.346 114.554 0.117 0.000 2.916 161 T HA 0.586 4.981 4.350 -0.077 -0.091 0.292 161 T C -2.055 172.718 174.700 0.122 0.000 1.055 161 T CA -0.654 61.496 62.100 0.083 0.000 1.009 161 T CB 3.338 72.340 68.868 0.223 0.000 1.118 161 T HN 0.518 8.737 8.240 0.120 0.092 0.497 162 A N 1.498 124.334 122.820 0.026 0.000 2.443 162 A HA 0.480 5.005 4.320 0.272 -0.042 0.278 162 A C -2.568 175.165 177.584 0.249 0.000 1.252 162 A CA -1.860 50.237 52.037 0.100 0.000 0.816 162 A CB 3.295 22.220 19.000 -0.125 0.000 1.369 162 A HN 1.014 8.878 8.150 -0.188 0.174 0.446 163 F N -7.385 112.485 119.950 -0.134 0.000 2.605 163 F HA 0.316 4.789 4.527 -0.060 0.019 0.320 163 F C -2.337 173.301 175.800 -0.271 0.000 1.159 163 F CA -1.677 56.246 58.000 -0.128 0.000 0.999 163 F CB 1.715 40.672 39.000 -0.072 0.000 1.258 163 F HN 0.947 8.446 8.300 -1.124 0.126 0.464 164 G N 0.298 108.991 108.800 -0.179 0.000 2.491 164 G HA2 0.367 4.105 3.960 -0.665 0.000 0.327 164 G HA3 0.367 4.190 3.960 -0.230 0.000 0.327 164 G C -1.087 173.697 174.900 -0.193 0.000 1.189 164 G CA -1.855 43.041 45.100 -0.341 0.000 0.956 164 G HN -0.226 7.985 8.290 -0.017 0.069 0.491 165 S N -1.907 113.692 115.700 -0.168 0.000 2.558 165 S HA 0.039 4.583 4.470 0.123 0.000 0.217 165 S C -0.700 173.907 174.600 0.013 0.000 0.975 165 S CA 1.533 59.774 58.200 0.068 0.000 0.912 165 S CB 0.880 64.261 63.200 0.301 0.000 0.776 165 S HN -0.198 7.957 8.310 -0.259 0.000 0.526 166 D N -3.120 117.249 120.400 -0.052 0.000 2.530 166 D HA 0.157 4.767 4.640 -0.051 0.000 0.253 166 D C -1.989 174.264 176.300 -0.078 0.000 1.338 166 D CA -0.008 53.944 54.000 -0.080 0.000 0.806 166 D CB 1.162 41.864 40.800 -0.163 0.000 1.160 166 D HN 0.136 8.401 8.370 -0.081 0.056 0.514 167 D N -1.527 118.839 120.400 -0.057 0.000 2.497 167 D HA 0.264 4.880 4.640 -0.040 0.000 0.243 167 D C -1.581 174.727 176.300 0.012 0.000 1.039 167 D CA -0.902 53.079 54.000 -0.032 0.000 1.052 167 D CB 3.183 43.965 40.800 -0.031 0.000 1.344 167 D HN -0.533 7.802 8.370 -0.058 0.000 0.553 168 A N -0.924 121.911 122.820 0.026 0.000 2.450 168 A HA 0.023 4.372 4.320 0.048 0.000 0.255 168 A C 0.806 178.538 177.584 0.248 0.000 1.096 168 A CA 0.176 52.249 52.037 0.061 0.000 0.778 168 A CB 0.959 19.916 19.000 -0.072 0.000 1.031 168 A HN 0.050 8.202 8.150 0.002 0.000 0.494 169 G N 1.561 110.514 108.800 0.255 0.000 3.725 169 G HA2 -0.404 3.712 3.960 0.261 0.000 0.331 169 G HA3 -0.404 3.749 3.960 0.322 0.000 0.331 169 G C -0.640 174.411 174.900 0.252 0.000 0.871 169 G CA 1.360 46.637 45.100 0.295 0.000 0.725 169 G HN 0.448 8.843 8.290 0.175 0.000 1.346 170 G N -2.089 106.678 108.800 -0.055 0.000 2.411 170 G HA2 0.029 4.005 3.960 0.026 0.000 0.295 170 G HA3 0.029 3.849 3.960 -0.154 0.048 0.295 170 G C -2.904 171.417 174.900 -0.965 0.000 1.542 170 G CA -0.201 44.690 45.100 -0.348 0.000 0.814 170 G HN -0.682 7.390 8.290 -0.365 0.000 0.557 171 K N 1.391 121.502 120.400 -0.482 0.000 2.565 171 K HA 0.573 4.840 4.320 -0.293 -0.124 0.249 171 K C -2.120 174.421 176.600 -0.098 0.000 0.958 171 K CA -0.773 55.350 56.287 -0.273 0.000 0.806 171 K CB 3.409 35.893 32.500 -0.027 0.000 1.194 171 K HN 0.271 8.437 8.250 -0.140 0.000 0.434 172 L N 1.605 122.735 121.223 -0.156 0.000 2.469 172 L HA 0.821 5.194 4.340 -0.121 -0.106 0.256 172 L C -2.300 174.258 176.870 -0.520 0.000 1.006 172 L CA -0.659 54.018 54.840 -0.272 0.000 0.832 172 L CB 3.945 45.860 42.059 -0.241 0.000 1.421 172 L HN 0.183 8.311 8.230 -0.169 0.000 0.410 173 T N 1.982 116.190 114.554 -0.577 0.000 3.011 173 T HA 0.514 4.702 4.350 -0.466 -0.118 0.303 173 T C -1.467 173.090 174.700 -0.239 0.000 0.997 173 T CA 0.675 62.517 62.100 -0.430 0.000 1.007 173 T CB 2.298 71.085 68.868 -0.134 0.000 1.017 173 T HN -0.056 7.971 8.240 -0.355 0.000 0.443 174 Y N 5.223 125.522 120.300 -0.002 0.000 2.562 174 Y HA 0.280 4.789 4.550 -0.070 0.000 0.343 174 Y C -1.612 174.341 175.900 0.089 0.000 1.025 174 Y CA -3.281 54.811 58.100 -0.013 0.000 1.082 174 Y CB 3.566 41.991 38.460 -0.058 0.000 1.264 174 Y HN 1.291 9.297 8.280 -0.282 0.105 0.478 175 T N 4.131 118.857 114.554 0.287 0.000 2.842 175 T HA 0.222 4.726 4.350 0.257 0.000 0.308 175 T C -1.028 173.834 174.700 0.269 0.000 1.041 175 T CA 0.079 62.332 62.100 0.256 0.000 0.964 175 T CB 0.172 69.165 68.868 0.208 0.000 0.972 175 T HN 0.010 8.299 8.240 0.265 0.110 0.460 176 I N 5.472 126.249 120.570 0.345 0.000 2.924 176 I HA 0.112 4.520 4.170 0.244 -0.091 0.316 176 I C -1.776 174.546 176.117 0.341 0.000 1.014 176 I CA -1.542 59.965 61.300 0.344 0.000 1.106 176 I CB 2.044 40.314 38.000 0.450 0.000 1.311 176 I HN 0.751 9.194 8.210 0.435 0.028 0.502 177 D N 0.404 120.967 120.400 0.272 0.000 2.498 177 D HA 0.219 5.094 4.640 0.296 -0.058 0.247 177 D C 0.957 177.278 176.300 0.036 0.000 1.070 177 D CA -1.853 52.255 54.000 0.180 0.000 0.842 177 D CB 2.579 43.400 40.800 0.036 0.000 1.361 177 D HN -0.396 8.048 8.370 0.258 0.080 0.484 178 F N 4.773 124.750 119.950 0.045 0.000 2.163 178 F HA -0.394 4.252 4.527 0.198 0.000 0.241 178 F C 0.703 176.620 175.800 0.195 0.000 1.085 178 F CA 1.082 59.129 58.000 0.078 0.000 1.254 178 F CB -0.840 38.114 39.000 -0.076 0.000 1.679 178 F HN 0.198 8.823 8.300 0.709 0.101 0.475 179 A N 0.120 123.030 122.820 0.151 0.000 1.969 179 A HA -0.501 3.935 4.320 0.192 0.000 0.223 179 A C 1.723 179.097 177.584 -0.350 0.000 1.218 179 A CA 3.038 55.095 52.037 0.032 0.000 0.667 179 A CB -0.674 18.507 19.000 0.302 0.000 0.826 179 A HN 0.582 9.187 8.150 0.758 0.000 0.472 180 A N -2.906 119.271 122.820 -1.072 0.000 2.863 180 A HA -0.081 4.038 4.320 -0.335 0.000 0.246 180 A C -0.024 177.337 177.584 -0.371 0.000 1.772 180 A CA -1.080 50.568 52.037 -0.647 0.000 1.456 180 A CB -1.937 16.557 19.000 -0.843 0.000 0.930 180 A HN -0.105 6.510 8.150 -2.541 0.011 0.630 181 K N -0.948 119.345 120.400 -0.178 0.000 2.524 181 K HA -0.424 4.168 4.320 0.103 -0.211 0.233 181 K C -1.048 175.531 176.600 -0.035 0.000 1.251 181 K CA 1.023 57.297 56.287 -0.021 0.000 1.383 181 K CB -2.163 30.329 32.500 -0.013 0.000 1.044 181 K HN 0.340 8.378 8.250 -0.150 0.122 0.461 182 Q N 3.950 123.737 119.800 -0.022 0.000 2.303 182 Q HA 0.192 4.530 4.340 -0.003 0.000 0.267 182 Q C -1.935 174.109 176.000 0.073 0.000 1.011 182 Q CA -0.463 55.342 55.803 0.002 0.000 0.740 182 Q CB 2.983 31.700 28.738 -0.035 0.000 1.250 182 Q HN -0.705 7.559 8.270 -0.022 -0.007 0.458 183 G N 4.206 113.052 108.800 0.077 0.000 2.682 183 G HA2 0.629 4.862 3.960 0.160 0.000 0.290 183 G HA3 0.629 4.625 3.960 0.129 0.041 0.290 183 G C -3.181 171.804 174.900 0.141 0.000 1.425 183 G CA 0.060 45.236 45.100 0.127 0.000 0.807 183 G HN 0.755 9.019 8.290 0.045 0.053 0.482 184 H N -1.856 117.207 119.070 -0.013 0.000 3.057 184 H HA 0.056 4.513 4.556 -0.182 -0.010 0.295 184 H C -1.941 173.359 175.328 -0.047 0.000 1.131 184 H CA -0.190 55.805 56.048 -0.088 0.000 1.560 184 H CB 2.654 32.384 29.762 -0.054 0.000 2.108 184 H HN 0.245 8.539 8.280 0.201 0.107 0.487 185 G N 1.886 110.250 108.800 -0.727 0.000 2.896 185 G HA2 0.580 4.394 3.960 -0.244 0.000 0.247 185 G HA3 0.580 4.816 3.960 0.228 -0.139 0.247 185 G C -2.902 171.758 174.900 -0.400 0.000 1.187 185 G CA -0.000 44.907 45.100 -0.321 0.000 0.837 185 G HN 0.648 8.306 8.290 -0.862 0.115 0.559 186 K N -2.337 118.078 120.400 0.026 0.000 2.498 186 K HA 0.640 4.937 4.320 -0.180 -0.085 0.254 186 K C -2.099 174.618 176.600 0.196 0.000 0.933 186 K CA -1.037 55.241 56.287 -0.015 0.000 0.806 186 K CB 4.912 37.410 32.500 -0.003 0.000 1.301 186 K HN -0.125 8.324 8.250 0.331 0.000 0.432 187 I N 2.679 123.291 120.570 0.070 0.000 2.412 187 I HA 0.378 4.651 4.170 0.173 0.000 0.296 187 I C -2.365 173.789 176.117 0.062 0.000 0.987 187 I CA -1.972 59.403 61.300 0.125 0.000 1.180 187 I CB 2.675 40.755 38.000 0.133 0.000 1.340 187 I HN 0.010 8.192 8.210 -0.047 0.000 0.455 188 E N 6.090 126.330 120.200 0.066 0.000 2.388 188 E HA 0.540 5.129 4.350 0.049 -0.210 0.280 188 E C -2.213 174.482 176.600 0.158 0.000 1.019 188 E CA -1.110 55.334 56.400 0.072 0.000 0.806 188 E CB 3.064 32.796 29.700 0.053 0.000 1.246 188 E HN 0.938 9.209 8.360 0.057 0.123 0.443 189 H N 1.027 120.097 119.070 -0.001 0.000 1.813 189 H HA 0.197 4.763 4.556 0.016 0.000 0.130 189 H C -1.007 174.322 175.328 0.001 0.000 1.170 189 H CA 2.066 58.119 56.048 0.008 0.000 1.074 189 H CB 2.740 32.511 29.762 0.015 0.000 0.605 189 H HN -0.043 8.312 8.280 0.126 0.000 0.260 190 L N -3.486 117.729 121.223 -0.014 0.000 2.874 190 L HA 0.509 4.754 4.340 -0.158 0.000 0.229 190 L C 0.555 177.396 176.870 -0.048 0.000 1.200 190 L CA -0.668 54.117 54.840 -0.092 0.000 0.976 190 L CB 0.983 42.998 42.059 -0.074 0.000 1.887 190 L HN -0.129 8.156 8.230 0.090 0.000 0.543 191 K N -3.307 117.064 120.400 -0.048 0.000 2.483 191 K HA 0.190 4.489 4.320 -0.035 0.000 0.206 191 K C 0.089 176.667 176.600 -0.037 0.000 1.086 191 K CA -0.809 55.456 56.287 -0.036 0.000 1.052 191 K CB 0.563 33.046 32.500 -0.028 0.000 0.904 191 K HN 0.183 8.401 8.250 -0.054 0.000 0.557 192 S N 1.791 117.467 115.700 -0.040 0.000 2.906 192 S HA -0.121 4.332 4.470 -0.029 0.000 0.254 192 S C -0.101 174.476 174.600 -0.039 0.000 1.432 192 S CA 0.504 58.683 58.200 -0.036 0.000 0.997 192 S CB 0.018 63.194 63.200 -0.039 0.000 0.928 192 S HN -0.497 7.788 8.310 -0.042 0.000 0.553 193 P HA -0.018 4.399 4.420 -0.005 0.000 0.239 193 P C -1.490 175.768 177.300 -0.070 0.000 1.184 193 P CA 1.204 64.293 63.100 -0.017 0.000 0.760 193 P CB -0.162 31.545 31.700 0.013 0.000 0.884 194 E N -6.157 113.982 120.200 -0.102 0.000 3.729 194 E HA 0.103 4.244 4.350 -0.348 0.000 0.195 194 E C -0.759 175.726 176.600 -0.191 0.000 1.005 194 E CA -2.056 54.228 56.400 -0.194 0.000 1.356 194 E CB -1.077 28.576 29.700 -0.078 0.000 1.138 194 E HN -0.602 7.605 8.360 -0.070 0.111 0.450 195 L N -0.163 120.955 121.223 -0.175 0.000 1.987 195 L HA -0.489 3.861 4.340 -0.062 -0.047 0.230 195 L C 0.086 176.894 176.870 -0.103 0.000 1.089 195 L CA 3.548 58.325 54.840 -0.106 0.000 0.802 195 L CB -0.201 41.806 42.059 -0.087 0.000 0.905 195 L HN -0.653 7.475 8.230 -0.170 0.000 0.441 196 N N -5.844 112.751 118.700 -0.175 0.000 3.038 196 N HA 0.855 5.739 4.740 -0.051 -0.175 0.307 196 N C -1.547 173.847 175.510 -0.193 0.000 1.441 196 N CA -1.091 51.894 53.050 -0.107 0.000 0.772 196 N CB 4.521 42.995 38.487 -0.022 0.000 1.651 196 N HN -0.778 7.444 8.380 -0.263 0.000 0.593 197 V N -3.654 116.234 119.914 -0.044 0.000 3.314 197 V HA 0.014 4.285 4.120 0.251 0.000 0.278 197 V C -2.646 173.465 176.094 0.028 0.000 1.709 197 V CA -0.248 62.084 62.300 0.054 0.000 1.042 197 V CB 4.428 36.240 31.823 -0.019 0.000 1.231 197 V HN 0.056 8.240 8.190 -0.009 0.000 0.476 198 D N 1.357 121.778 120.400 0.035 0.000 2.168 198 D HA 0.430 4.992 4.640 -0.130 0.000 0.246 198 D C -1.811 174.368 176.300 -0.202 0.000 1.050 198 D CA 0.280 54.230 54.000 -0.084 0.000 0.857 198 D CB 2.370 43.168 40.800 -0.003 0.000 1.169 198 D HN -0.223 8.219 8.370 0.120 0.000 0.453 199 L N 1.778 122.751 121.223 -0.417 0.000 2.350 199 L HA 0.742 5.055 4.340 -0.340 -0.176 0.260 199 L C -2.660 173.878 176.870 -0.553 0.000 1.015 199 L CA -2.145 52.377 54.840 -0.530 0.000 0.821 199 L CB 4.704 46.187 42.059 -0.959 0.000 1.370 199 L HN 0.841 8.654 8.230 -0.506 0.114 0.416 200 A N -0.580 122.020 122.820 -0.366 0.000 2.284 200 A HA 0.630 4.884 4.320 -0.111 0.000 0.317 200 A C -0.930 176.510 177.584 -0.240 0.000 1.120 200 A CA -2.177 49.743 52.037 -0.194 0.000 0.900 200 A CB 2.340 21.305 19.000 -0.058 0.000 1.319 200 A HN -0.207 7.647 8.150 -0.313 0.108 0.494 201 V N -4.210 115.641 119.914 -0.104 0.000 3.204 201 V HA 0.135 4.198 4.120 -0.126 -0.019 0.298 201 V C -2.155 173.917 176.094 -0.037 0.000 1.328 201 V CA -0.443 61.800 62.300 -0.096 0.000 1.035 201 V CB 5.113 36.888 31.823 -0.080 0.000 1.095 201 V HN 0.439 8.573 8.190 -0.021 0.043 0.442 202 A N 0.596 123.379 122.820 -0.062 0.000 2.429 202 A HA 0.349 4.710 4.320 -0.002 -0.042 0.289 202 A C -2.408 175.129 177.584 -0.079 0.000 1.043 202 A CA -0.434 51.579 52.037 -0.040 0.000 0.722 202 A CB 2.536 21.506 19.000 -0.050 0.000 1.243 202 A HN 0.016 8.189 8.150 -0.102 -0.084 0.415 203 Y N 5.174 125.401 120.300 -0.122 0.000 2.452 203 Y HA 0.481 5.180 4.550 -0.254 -0.301 0.348 203 Y C -0.588 175.234 175.900 -0.129 0.000 0.985 203 Y CA -0.819 57.173 58.100 -0.181 0.000 1.214 203 Y CB 0.804 39.176 38.460 -0.147 0.000 1.136 203 Y HN 0.292 8.625 8.280 0.126 0.023 0.523 204 I N 4.249 124.796 120.570 -0.038 0.000 3.062 204 I HA 0.196 4.400 4.170 0.056 0.000 0.316 204 I C 0.512 176.704 176.117 0.124 0.000 1.041 204 I CA -3.234 58.085 61.300 0.032 0.000 1.069 204 I CB 1.274 39.245 38.000 -0.047 0.000 1.300 204 I HN -0.461 7.463 8.210 -0.267 0.126 0.518 205 K N 2.607 123.083 120.400 0.127 0.000 2.019 205 K HA 0.109 4.606 4.320 0.295 0.000 0.209 205 K C -1.652 175.021 176.600 0.120 0.000 1.032 205 K CA 3.763 60.160 56.287 0.183 0.000 0.947 205 K CB -1.079 31.509 32.500 0.147 0.000 0.757 205 K HN 0.427 8.728 8.250 0.087 0.000 0.444 206 P HA 0.099 4.528 4.420 0.014 0.000 0.271 206 P C -1.329 175.938 177.300 -0.055 0.000 1.380 206 P CA -0.655 62.450 63.100 0.008 0.000 0.992 206 P CB -0.869 30.839 31.700 0.013 0.000 1.230 207 D N 4.243 124.580 120.400 -0.105 0.000 1.905 207 D HA -0.191 4.383 4.640 -0.110 0.000 0.296 207 D C 0.950 177.166 176.300 -0.141 0.000 1.073 207 D CA -0.386 53.541 54.000 -0.122 0.000 0.957 207 D CB 1.160 41.912 40.800 -0.080 0.000 1.165 207 D HN -0.135 8.268 8.370 -0.104 -0.095 0.422 208 E N -1.237 118.888 120.200 -0.126 0.000 2.265 208 E HA -0.241 4.069 4.350 -0.066 0.000 0.196 208 E C 0.149 176.663 176.600 -0.143 0.000 0.996 208 E CA 2.265 58.607 56.400 -0.096 0.000 0.832 208 E CB 0.123 29.801 29.700 -0.037 0.000 0.756 208 E HN 0.326 8.643 8.360 -0.072 0.000 0.491 209 K N -5.218 114.978 120.400 -0.340 0.000 3.019 209 K HA 0.037 4.325 4.320 -0.053 0.000 0.192 209 K C -1.369 175.107 176.600 -0.206 0.000 1.680 209 K CA 0.730 56.895 56.287 -0.203 0.000 1.375 209 K CB 2.502 34.964 32.500 -0.064 0.000 1.968 209 K HN -0.240 7.632 8.250 -0.565 0.039 0.624 210 H N -5.358 113.255 119.070 -0.761 0.000 3.932 210 H HA 0.214 4.677 4.556 -0.154 0.000 0.211 210 H C -3.127 172.093 175.328 -0.180 0.000 1.212 210 H CA -0.123 55.723 56.048 -0.335 0.000 1.232 210 H CB -0.190 29.513 29.762 -0.099 0.000 3.042 210 H HN -0.207 6.773 8.280 -2.167 0.000 0.548 211 H N -2.426 116.621 119.070 -0.039 0.000 3.196 211 H HA 0.385 5.209 4.556 0.191 -0.154 0.303 211 H C -1.301 174.091 175.328 0.108 0.000 1.605 211 H CA -2.444 53.653 56.048 0.082 0.000 1.351 211 H CB 2.865 32.648 29.762 0.035 0.000 1.860 211 H HN -0.479 7.494 8.280 -0.622 -0.067 0.697 212 A N -0.036 122.933 122.820 0.248 0.000 2.450 212 A HA 0.071 4.429 4.320 0.063 0.000 0.255 212 A C -1.032 176.302 177.584 -0.418 0.000 1.096 212 A CA 0.367 52.334 52.037 -0.116 0.000 0.778 212 A CB 0.339 19.145 19.000 -0.323 0.000 1.031 212 A HN 0.021 8.384 8.150 0.354 0.000 0.494 213 V N 2.480 122.067 119.914 -0.545 0.000 2.975 213 V HA 0.301 4.520 4.120 -0.344 -0.306 0.318 213 V C -1.147 174.531 176.094 -0.693 0.000 1.077 213 V CA -1.824 60.202 62.300 -0.457 0.000 1.000 213 V CB 2.812 34.497 31.823 -0.231 0.000 1.066 213 V HN -0.195 7.718 8.190 -0.462 0.000 0.452 214 I N 1.646 121.946 120.570 -0.450 0.000 2.571 214 I HA 0.627 4.759 4.170 -0.452 -0.233 0.289 214 I C -1.214 174.787 176.117 -0.193 0.000 1.115 214 I CA -1.855 59.210 61.300 -0.390 0.000 1.045 214 I CB 3.144 40.900 38.000 -0.406 0.000 1.238 214 I HN 0.923 8.887 8.210 -0.314 0.058 0.424 215 S N 6.344 121.958 115.700 -0.142 0.000 2.546 215 S HA 0.733 5.314 4.470 -0.062 -0.149 0.272 215 S C -1.454 173.107 174.600 -0.064 0.000 1.140 215 S CA -0.959 57.193 58.200 -0.081 0.000 0.920 215 S CB 3.458 66.611 63.200 -0.078 0.000 1.083 215 S HN 0.278 8.488 8.310 -0.155 0.007 0.476 216 G N 2.183 110.960 108.800 -0.038 0.000 2.548 216 G HA2 0.360 4.286 3.960 -0.056 0.000 0.301 216 G HA3 0.360 4.470 3.960 -0.114 -0.218 0.301 216 G C -3.376 171.509 174.900 -0.025 0.000 1.349 216 G CA -0.397 44.667 45.100 -0.060 0.000 0.792 216 G HN 0.884 9.064 8.290 -0.007 0.105 0.481 217 S N -0.943 114.724 115.700 -0.055 0.000 2.594 217 S HA 0.308 4.790 4.470 0.021 0.000 0.296 217 S C -1.296 173.266 174.600 -0.063 0.000 1.124 217 S CA -1.380 56.806 58.200 -0.023 0.000 1.011 217 S CB 1.982 65.168 63.200 -0.023 0.000 1.016 217 S HN -0.242 8.016 8.310 -0.086 0.000 0.485 218 V N 4.993 124.901 119.914 -0.010 0.000 2.644 218 V HA 0.440 4.608 4.120 -0.177 -0.154 0.295 218 V C -2.307 173.781 176.094 -0.010 0.000 1.053 218 V CA -0.873 61.389 62.300 -0.064 0.000 0.987 218 V CB 1.698 33.542 31.823 0.035 0.000 1.006 218 V HN 0.504 8.733 8.190 0.082 0.010 0.472 219 L N 4.744 125.966 121.223 -0.001 0.000 2.545 219 L HA 0.315 4.781 4.340 0.057 -0.092 0.258 219 L C -2.377 174.574 176.870 0.135 0.000 0.942 219 L CA -0.217 54.654 54.840 0.051 0.000 0.855 219 L CB 4.932 47.004 42.059 0.021 0.000 1.374 219 L HN 0.954 9.055 8.230 -0.030 0.111 0.411 220 Y N 0.457 120.745 120.300 -0.020 0.000 2.403 220 Y HA 0.224 4.766 4.550 -0.014 0.000 0.323 220 Y C 0.745 176.640 175.900 -0.008 0.000 1.226 220 Y CA -1.184 56.909 58.100 -0.011 0.000 1.235 220 Y CB 2.086 40.545 38.460 -0.003 0.000 1.248 220 Y HN -0.376 8.033 8.280 0.215 0.000 0.489 221 N N 4.365 122.743 118.700 -0.538 0.000 2.571 221 N HA -0.142 4.474 4.740 -0.206 0.000 0.189 221 N C -0.287 174.971 175.510 -0.421 0.000 1.154 221 N CA 1.981 54.788 53.050 -0.404 0.000 0.907 221 N CB -0.345 37.909 38.487 -0.388 0.000 0.977 221 N HN 0.309 8.187 8.380 -0.836 0.000 0.449 222 Q N -0.798 118.685 119.800 -0.527 0.000 2.141 222 Q HA 0.099 4.316 4.340 -0.205 0.000 0.194 222 Q C -0.725 175.245 176.000 -0.051 0.000 0.975 222 Q CA 1.730 57.401 55.803 -0.219 0.000 0.834 222 Q CB 1.159 29.856 28.738 -0.070 0.000 0.916 222 Q HN -0.195 7.522 8.270 -0.757 0.098 0.484 223 D N -4.086 116.334 120.400 0.034 0.000 3.783 223 D HA 0.044 4.690 4.640 0.010 0.000 0.249 223 D C -2.043 174.298 176.300 0.067 0.000 1.271 223 D CA 0.250 54.272 54.000 0.037 0.000 0.818 223 D CB 0.512 41.331 40.800 0.032 0.000 1.715 223 D HN -0.166 8.271 8.370 0.112 0.000 0.497 224 E N 0.208 120.481 120.200 0.120 0.000 2.319 224 E HA -0.071 4.314 4.350 0.059 0.000 0.268 224 E C -0.451 176.177 176.600 0.046 0.000 1.050 224 E CA 0.302 56.758 56.400 0.094 0.000 0.878 224 E CB 1.564 31.361 29.700 0.162 0.000 1.066 224 E HN -0.553 7.909 8.360 0.170 0.000 0.406 225 K N 3.150 123.554 120.400 0.007 0.000 2.895 225 K HA 0.397 4.720 4.320 0.004 0.000 0.191 225 K C -0.964 175.620 176.600 -0.026 0.000 1.117 225 K CA -0.679 55.603 56.287 -0.008 0.000 0.988 225 K CB 0.943 33.432 32.500 -0.018 0.000 1.181 225 K HN -0.105 8.137 8.250 -0.014 0.000 0.598 226 G N 1.336 110.130 108.800 -0.009 0.000 2.521 226 G HA2 0.679 4.677 3.960 -0.048 0.000 0.323 226 G HA3 0.679 4.643 3.960 0.008 0.001 0.323 226 G C -1.532 173.379 174.900 0.019 0.000 1.211 226 G CA -1.866 43.227 45.100 -0.011 0.000 0.979 226 G HN 0.153 8.371 8.290 0.010 0.078 0.490 227 S N -1.095 114.617 115.700 0.019 0.000 2.810 227 S HA 0.218 4.760 4.470 0.046 -0.044 0.315 227 S C -1.520 173.145 174.600 0.108 0.000 1.138 227 S CA -1.070 57.152 58.200 0.037 0.000 0.889 227 S CB 2.796 65.980 63.200 -0.027 0.000 1.236 227 S HN 0.900 9.031 8.310 -0.023 0.164 0.548 228 Y N -1.685 118.540 120.300 -0.125 0.000 2.390 228 Y HA 0.082 4.556 4.550 -0.126 0.000 0.324 228 Y C -2.495 173.331 175.900 -0.124 0.000 1.151 228 Y CA 0.526 58.542 58.100 -0.140 0.000 1.053 228 Y CB 4.806 43.139 38.460 -0.213 0.000 1.277 228 Y HN 0.585 8.903 8.280 0.063 0.000 0.432 229 S N 4.207 119.854 115.700 -0.088 0.000 2.668 229 S HA 0.673 5.280 4.470 -0.051 -0.167 0.277 229 S C -2.018 172.536 174.600 -0.078 0.000 1.170 229 S CA 0.096 58.255 58.200 -0.069 0.000 0.994 229 S CB 2.087 65.241 63.200 -0.077 0.000 1.051 229 S HN 0.314 8.481 8.310 -0.239 0.000 0.484 230 L N 2.969 124.145 121.223 -0.078 0.000 2.389 230 L HA 0.247 4.561 4.340 -0.042 0.000 0.249 230 L C -2.425 174.363 176.870 -0.137 0.000 1.083 230 L CA -0.365 54.431 54.840 -0.074 0.000 0.876 230 L CB 5.176 47.212 42.059 -0.038 0.000 1.489 230 L HN 0.956 8.984 8.230 -0.099 0.143 0.412 231 G N -2.036 106.710 108.800 -0.090 0.000 2.666 231 G HA2 0.659 4.541 3.960 -0.252 0.000 0.303 231 G HA3 0.659 4.785 3.960 -0.011 -0.172 0.303 231 G C -2.190 172.650 174.900 -0.100 0.000 1.412 231 G CA -0.735 44.297 45.100 -0.113 0.000 0.979 231 G HN -0.263 8.024 8.290 -0.005 0.000 0.507 232 I N 4.038 124.372 120.570 -0.393 0.000 2.577 232 I HA 0.250 3.886 4.170 -1.031 -0.084 0.300 232 I C -1.467 174.535 176.117 -0.193 0.000 0.990 232 I CA -0.495 60.414 61.300 -0.652 0.000 1.283 232 I CB 2.808 40.237 38.000 -0.951 0.000 1.411 232 I HN 0.659 8.424 8.210 -0.541 0.120 0.515 233 F N -0.271 119.749 119.950 0.117 0.000 2.564 233 F HA 0.518 5.115 4.527 0.184 0.041 0.368 233 F C -1.187 174.765 175.800 0.254 0.000 1.127 233 F CA -2.897 55.215 58.000 0.186 0.000 1.170 233 F CB -0.006 39.114 39.000 0.200 0.000 1.397 233 F HN 0.760 7.829 8.300 -1.858 0.115 0.493 234 G N 0.534 109.561 108.800 0.378 0.000 2.503 234 G HA2 -0.148 3.983 3.960 0.284 0.000 0.305 234 G HA3 -0.148 4.113 3.960 0.336 -0.099 0.305 234 G C -1.477 173.690 174.900 0.445 0.000 1.575 234 G CA 0.232 45.547 45.100 0.359 0.000 0.890 234 G HN -0.808 7.745 8.290 0.438 0.000 0.612 235 E N 0.427 120.774 120.200 0.244 0.000 2.136 235 E HA -0.439 3.958 4.350 0.079 0.000 0.208 235 E C -0.180 176.320 176.600 -0.168 0.000 1.035 235 E CA 3.510 59.947 56.400 0.061 0.000 0.838 235 E CB 0.434 30.129 29.700 -0.008 0.000 0.748 235 E HN 0.276 8.751 8.360 0.192 0.000 0.459 236 K N -8.485 111.962 120.400 0.078 0.000 3.477 236 K HA 0.171 4.935 4.320 0.741 0.000 0.127 236 K C -1.603 175.094 176.600 0.161 0.000 0.937 236 K CA 0.070 56.445 56.287 0.147 0.000 0.929 236 K CB -0.078 32.219 32.500 -0.338 0.000 0.648 236 K HN -0.323 8.013 8.250 0.143 0.000 0.373 237 A N -2.695 120.229 122.820 0.173 0.000 2.378 237 A HA 0.158 4.411 4.320 -0.112 0.000 0.213 237 A C -1.045 176.565 177.584 0.043 0.000 1.712 237 A CA 0.211 52.255 52.037 0.011 0.000 1.308 237 A CB -0.174 18.828 19.000 0.003 0.000 1.006 237 A HN -0.003 8.314 8.150 0.279 0.000 0.466 238 Q N -1.358 118.534 119.800 0.153 0.000 1.900 238 Q HA 0.060 4.478 4.340 0.130 0.000 0.322 238 Q C 0.093 176.160 176.000 0.112 0.000 0.959 238 Q CA 0.541 56.438 55.803 0.156 0.000 0.866 238 Q CB 1.401 30.280 28.738 0.236 0.000 1.196 238 Q HN 0.202 8.634 8.270 0.270 0.000 0.458 239 E N -3.687 116.524 120.200 0.018 0.000 2.458 239 E HA 0.187 4.534 4.350 0.018 0.013 0.278 239 E C -2.595 173.380 176.600 -1.041 0.000 1.004 239 E CA -0.417 55.876 56.400 -0.179 0.000 0.823 239 E CB 4.449 34.307 29.700 0.265 0.000 1.396 239 E HN -0.538 7.802 8.360 -0.034 0.000 0.463 240 V N -0.254 119.246 119.914 -0.690 0.000 2.733 240 V HA 0.319 3.629 4.120 -1.350 0.000 0.306 240 V C -2.926 173.157 176.094 -0.019 0.000 1.084 240 V CA -2.020 59.844 62.300 -0.725 0.000 0.905 240 V CB 4.070 35.612 31.823 -0.468 0.000 1.010 240 V HN 1.084 9.010 8.190 -0.220 0.131 0.424 241 A N 6.672 129.692 122.820 0.333 0.000 2.520 241 A HA 0.692 5.239 4.320 0.198 -0.109 0.298 241 A C -2.148 175.561 177.584 0.208 0.000 1.051 241 A CA -1.264 50.965 52.037 0.319 0.000 0.690 241 A CB 3.360 22.605 19.000 0.408 0.000 1.281 241 A HN 0.124 8.539 8.150 0.441 0.000 0.402 242 G N 0.600 109.489 108.800 0.149 0.000 2.565 242 G HA2 0.552 4.579 3.960 0.111 0.000 0.142 242 G HA3 0.552 4.528 3.960 0.027 0.000 0.142 242 G C -2.539 172.361 174.900 -0.001 0.000 1.181 242 G CA 0.732 45.879 45.100 0.079 0.000 1.066 242 G HN 0.704 8.972 8.290 0.168 0.123 0.530 243 S N -1.433 114.185 115.700 -0.137 0.000 2.727 243 S HA 0.628 4.851 4.470 -0.505 -0.056 0.278 243 S C -2.306 171.988 174.600 -0.511 0.000 1.186 243 S CA -0.647 57.342 58.200 -0.352 0.000 0.836 243 S CB 2.949 66.021 63.200 -0.213 0.000 1.186 243 S HN 0.190 8.429 8.310 -0.117 0.000 0.499 244 A N -2.377 120.062 122.820 -0.634 0.000 2.581 244 A HA 0.360 4.341 4.320 -0.564 0.000 0.290 244 A C -2.622 174.708 177.584 -0.422 0.000 1.119 244 A CA -0.478 51.119 52.037 -0.733 0.000 0.670 244 A CB 3.318 21.268 19.000 -1.751 0.000 1.280 244 A HN 0.622 8.313 8.150 -0.605 0.096 0.425 245 E N -0.887 119.145 120.200 -0.280 0.000 2.238 245 E HA 0.585 4.967 4.350 -0.140 -0.116 0.267 245 E C -1.877 174.651 176.600 -0.119 0.000 0.887 245 E CA -1.616 54.691 56.400 -0.154 0.000 0.769 245 E CB 4.343 33.982 29.700 -0.101 0.000 1.187 245 E HN -0.163 7.912 8.360 -0.266 0.126 0.416 246 V N 3.911 123.752 119.914 -0.121 0.000 2.419 246 V HA 0.292 4.361 4.120 -0.086 0.000 0.287 246 V C -2.524 173.396 176.094 -0.291 0.000 1.017 246 V CA -1.097 61.121 62.300 -0.135 0.000 0.844 246 V CB 2.945 34.722 31.823 -0.076 0.000 1.011 246 V HN 0.797 8.921 8.190 -0.111 0.000 0.429 247 E N 9.012 129.078 120.200 -0.223 0.000 2.197 247 E HA 0.402 4.648 4.350 -0.380 -0.124 0.281 247 E C -0.339 176.123 176.600 -0.230 0.000 0.995 247 E CA -0.762 55.479 56.400 -0.264 0.000 0.808 247 E CB 2.665 32.284 29.700 -0.135 0.000 1.093 247 E HN -0.155 8.021 8.360 -0.136 0.102 0.394 248 T N 7.945 122.336 114.554 -0.271 0.000 3.074 248 T HA 0.077 4.393 4.350 -0.057 0.000 0.181 248 T C 0.419 175.099 174.700 -0.034 0.000 0.714 248 T CA 1.094 63.138 62.100 -0.093 0.000 2.341 248 T CB 0.234 69.101 68.868 -0.001 0.000 2.346 248 T HN 0.033 8.044 8.240 -0.382 0.000 0.391 249 A N -2.317 120.503 122.820 -0.001 0.000 2.600 249 A HA 0.219 4.537 4.320 -0.003 0.000 0.252 249 A C -0.967 176.623 177.584 0.010 0.000 1.200 249 A CA 0.743 52.783 52.037 0.006 0.000 0.981 249 A CB 0.783 19.795 19.000 0.020 0.000 1.207 249 A HN -0.120 8.043 8.150 0.022 0.000 0.577 250 N N -2.563 116.148 118.700 0.018 0.000 2.194 250 N HA 0.021 4.769 4.740 0.013 0.000 0.233 250 N C -0.979 174.555 175.510 0.040 0.000 1.392 250 N CA 0.650 53.715 53.050 0.024 0.000 0.790 250 N CB 2.844 41.349 38.487 0.031 0.000 1.291 250 N HN 0.105 8.497 8.380 0.021 0.000 0.518 251 G N -0.361 108.461 108.800 0.037 0.000 2.550 251 G HA2 0.266 4.261 3.960 0.058 0.000 0.293 251 G HA3 0.266 4.332 3.960 0.175 0.000 0.293 251 G C -3.002 171.877 174.900 -0.035 0.000 1.402 251 G CA 0.090 45.235 45.100 0.076 0.000 0.784 251 G HN -0.419 7.871 8.290 0.001 0.000 0.482 252 I N -0.921 119.667 120.570 0.029 0.000 2.534 252 I HA 0.271 4.340 4.170 -0.354 -0.112 0.288 252 I C -1.105 175.095 176.117 0.138 0.000 1.077 252 I CA -0.307 60.928 61.300 -0.108 0.000 1.051 252 I CB 3.305 41.282 38.000 -0.039 0.000 1.234 252 I HN 0.153 8.448 8.210 0.142 0.000 0.425 253 H N 5.251 124.316 119.070 -0.008 0.000 2.651 253 H HA 0.514 5.086 4.556 0.026 0.000 0.353 253 H C -1.499 173.823 175.328 -0.009 0.000 1.178 253 H CA -2.764 53.281 56.048 -0.005 0.000 1.224 253 H CB 3.048 32.785 29.762 -0.040 0.000 1.702 253 H HN 0.839 8.700 8.280 -0.520 0.107 0.550 254 H N 0.423 119.476 119.070 -0.028 0.000 2.658 254 H HA 0.617 5.181 4.556 -0.197 -0.126 0.337 254 H C -1.412 173.718 175.328 -0.331 0.000 1.009 254 H CA -1.950 53.982 56.048 -0.192 0.000 1.231 254 H CB 1.363 31.013 29.762 -0.187 0.000 1.508 254 H HN 0.278 8.678 8.280 0.201 0.000 0.517 255 I N 2.365 122.479 120.570 -0.761 0.000 2.389 255 I HA 0.615 4.323 4.170 -1.057 -0.172 0.288 255 I C -0.729 174.726 176.117 -1.103 0.000 0.999 255 I CA -2.150 58.602 61.300 -0.914 0.000 1.129 255 I CB 0.690 38.383 38.000 -0.512 0.000 1.288 255 I HN 0.181 8.080 8.210 -0.518 0.000 0.444 256 G N 4.948 112.694 108.800 -1.756 0.000 2.476 256 G HA2 0.635 4.036 3.960 -1.033 0.000 0.286 256 G HA3 0.635 2.699 3.960 -3.159 0.000 0.286 256 G C -2.183 171.703 174.900 -1.689 0.000 1.177 256 G CA -1.443 42.426 45.100 -2.051 0.000 0.870 256 G HN 1.086 8.103 8.290 -1.957 0.099 0.528 257 L N -0.261 120.656 121.223 -0.509 0.000 2.354 257 L HA 0.309 4.717 4.340 -0.032 -0.087 0.264 257 L C -1.894 175.147 176.870 0.284 0.000 1.008 257 L CA -0.929 53.900 54.840 -0.020 0.000 0.819 257 L CB 4.067 46.118 42.059 -0.013 0.000 1.339 257 L HN 0.920 8.836 8.230 -0.279 0.147 0.420 258 A N -0.274 122.671 122.820 0.208 0.000 2.547 258 A HA 0.557 5.019 4.320 0.088 -0.089 0.279 258 A C -2.832 174.552 177.584 -0.333 0.000 1.088 258 A CA -0.112 51.950 52.037 0.042 0.000 0.796 258 A CB 2.549 21.664 19.000 0.192 0.000 1.308 258 A HN 1.160 9.294 8.150 0.152 0.107 0.415 259 A N 3.418 126.048 122.820 -0.317 0.000 2.569 259 A HA 0.357 4.332 4.320 -0.576 0.000 0.290 259 A C -2.644 174.796 177.584 -0.239 0.000 1.136 259 A CA -0.932 50.885 52.037 -0.367 0.000 0.710 259 A CB 3.877 22.778 19.000 -0.164 0.000 1.303 259 A HN 1.391 9.343 8.150 -0.133 0.118 0.413 260 K N -2.090 118.226 120.400 -0.139 0.000 2.306 260 K HA 0.418 4.741 4.320 0.005 0.000 0.236 260 K C -0.291 176.279 176.600 -0.050 0.000 1.013 260 K CA -1.922 54.351 56.287 -0.024 0.000 0.857 260 K CB 2.950 35.473 32.500 0.038 0.000 1.214 260 K HN -0.053 8.124 8.250 -0.122 0.000 0.449 261 Q N 0.000 119.734 119.800 -0.110 0.000 2.315 261 Q HA 0.000 4.074 4.340 -0.471 -0.017 0.214 261 Q CA 0.000 55.572 55.803 -0.385 0.000 1.022 261 Q CB 0.000 28.622 28.738 -0.194 0.000 1.108 261 Q HN 0.000 8.138 8.270 -0.030 0.113 0.481