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 2roq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLPELKAQAP GRAPKAGSET IIAAAFSSLL GCDVQDADAD FFALGGHALL DATA SEQUENCE AMKLAAQLSR QVARQVTPGQ VMVASTVAKL ATIIDAEEDS TRRMGFETIL DATA SEQUENCE PLREGNGPTL FCFHPASGFA WQFSVLSRYL DPQWSIIGIQ SPRPNGPMQT DATA SEQUENCE AANLDEVCEA HLATLLEQQP HGPYYLLGYS LGGTLAQGIA ARLRARGEQV DATA SEQUENCE AFLGLLDTWP PETQNWQEKE ANGLDPEVLA EINREREAFL AAQQGSTSTE DATA SEQUENCE LFTTIEGNYA DAVRLLTTAH SVPFDGKATL FVAERTLQEG MSPERAWSPW DATA SEQUENCE IAELDIYRQD CAHVDIISPG TFEKIGPIIR ATLNRLEHHH HHH 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 4.479 4.480 -0.002 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 L N -0.606 120.616 121.223 -0.002 0.000 0.590 2 L HA -0.135 4.204 4.340 -0.002 0.000 0.356 2 L C -2.110 174.758 176.870 -0.003 0.000 1.004 2 L CA -0.740 54.099 54.840 -0.002 0.000 1.223 2 L CB -1.690 40.367 42.059 -0.002 0.000 0.012 2 L HN -0.350 7.878 8.230 -0.002 0.000 0.094 3 P HA 0.040 4.458 4.420 -0.003 0.000 0.272 3 P C -1.468 175.830 177.300 -0.003 0.000 1.223 3 P CA -0.408 62.690 63.100 -0.003 0.000 0.784 3 P CB 0.504 32.203 31.700 -0.003 0.000 0.923 4 E N 0.835 121.033 120.200 -0.003 0.000 2.238 4 E HA 0.269 4.617 4.350 -0.004 0.000 0.267 4 E C 0.053 176.651 176.600 -0.004 0.000 0.887 4 E CA -0.904 55.494 56.400 -0.004 0.000 0.769 4 E CB 2.450 32.148 29.700 -0.004 0.000 1.187 4 E HN 0.095 8.453 8.360 -0.003 0.000 0.416 5 L N 1.694 122.914 121.223 -0.004 0.000 2.261 5 L HA -0.092 4.245 4.340 -0.005 0.000 0.216 5 L C 1.047 177.914 176.870 -0.006 0.000 1.114 5 L CA 0.651 55.488 54.840 -0.005 0.000 0.777 5 L CB 0.209 42.264 42.059 -0.005 0.000 0.910 5 L HN 0.334 8.562 8.230 -0.004 0.000 0.440 6 K N -4.486 115.910 120.400 -0.005 0.000 3.160 6 K HA -0.491 3.826 4.320 -0.005 0.000 0.280 6 K C -0.319 176.277 176.600 -0.007 0.000 1.154 6 K CA 0.195 56.478 56.287 -0.006 0.000 0.822 6 K CB -1.235 31.262 32.500 -0.005 0.000 1.239 6 K HN -0.082 8.126 8.250 -0.005 0.039 0.489 7 A N -2.593 120.222 122.820 -0.008 0.000 1.315 7 A HA -0.461 3.854 4.320 -0.009 0.000 0.333 7 A C -0.375 177.202 177.584 -0.011 0.000 1.730 7 A CA 1.475 53.507 52.037 -0.009 0.000 1.091 7 A CB -1.575 17.419 19.000 -0.010 0.000 1.471 7 A HN 0.299 8.409 8.150 -0.007 0.035 0.722 8 Q N -0.141 119.652 119.800 -0.012 0.000 2.397 8 Q HA -0.447 3.883 4.340 -0.016 0.000 0.352 8 Q C -0.954 175.035 176.000 -0.017 0.000 1.363 8 Q CA 0.570 56.364 55.803 -0.015 0.000 0.937 8 Q CB -0.984 27.747 28.738 -0.012 0.000 1.084 8 Q HN -0.033 8.197 8.270 -0.012 0.033 0.314 9 A N 6.550 129.357 122.820 -0.021 0.000 2.264 9 A HA 0.346 4.654 4.320 -0.020 0.000 0.304 9 A C -1.843 175.724 177.584 -0.028 0.000 1.100 9 A CA -2.279 49.744 52.037 -0.023 0.000 0.839 9 A CB 0.826 19.811 19.000 -0.025 0.000 1.121 9 A HN 0.045 8.181 8.150 -0.023 0.000 0.496 10 P HA -0.104 4.299 4.420 -0.027 0.000 0.234 10 P C -0.761 176.516 177.300 -0.039 0.000 1.167 10 P CA 0.575 63.658 63.100 -0.029 0.000 0.763 10 P CB 0.584 32.270 31.700 -0.024 0.000 0.835 11 G N -1.657 107.116 108.800 -0.044 0.000 3.815 11 G HA2 -0.159 3.764 3.960 -0.071 0.000 0.112 11 G HA3 -0.159 3.765 3.960 -0.059 0.000 0.112 11 G C -1.869 172.997 174.900 -0.056 0.000 2.124 11 G CA 0.176 45.241 45.100 -0.058 0.000 0.991 11 G HN -0.125 8.071 8.290 -0.039 0.071 0.287 12 R N 2.002 122.475 120.500 -0.046 0.000 2.641 12 R HA -0.156 4.156 4.340 -0.047 0.000 0.269 12 R C -0.282 175.997 176.300 -0.034 0.000 1.074 12 R CA 0.311 56.387 56.100 -0.041 0.000 1.133 12 R CB -0.060 30.218 30.300 -0.036 0.000 1.029 12 R HN -0.402 7.843 8.270 -0.043 0.000 0.488 13 A N -0.544 122.258 122.820 -0.030 0.000 2.429 13 A HA -0.166 4.140 4.320 -0.022 0.000 0.290 13 A C -2.289 175.280 177.584 -0.025 0.000 1.439 13 A CA -0.148 51.874 52.037 -0.024 0.000 0.731 13 A CB -1.575 17.412 19.000 -0.021 0.000 1.138 13 A HN 0.517 8.648 8.150 -0.032 0.000 0.384 14 P HA 0.072 4.476 4.420 -0.027 0.000 0.288 14 P C -0.664 176.626 177.300 -0.018 0.000 1.291 14 P CA -1.017 62.068 63.100 -0.025 0.000 0.766 14 P CB 1.022 32.706 31.700 -0.027 0.000 1.242 15 K N -2.264 118.127 120.400 -0.015 0.000 2.462 15 K HA -0.198 4.115 4.320 -0.011 0.000 0.257 15 K C 1.011 177.606 176.600 -0.009 0.000 1.062 15 K CA 0.245 56.526 56.287 -0.011 0.000 0.923 15 K CB 0.391 32.886 32.500 -0.009 0.000 1.210 15 K HN -0.016 8.224 8.250 -0.016 0.000 0.502 16 A N -2.366 120.450 122.820 -0.007 0.000 2.275 16 A HA 0.071 4.387 4.320 -0.006 0.000 0.212 16 A C -0.067 177.515 177.584 -0.004 0.000 1.201 16 A CA 1.412 53.446 52.037 -0.006 0.000 0.843 16 A CB 0.246 19.243 19.000 -0.005 0.000 0.873 16 A HN 0.331 8.477 8.150 -0.006 0.000 0.492 17 G N -2.545 106.253 108.800 -0.003 0.000 4.130 17 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.162 17 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.162 17 G C 1.054 175.955 174.900 0.001 0.000 1.099 17 G CA 0.743 45.842 45.100 -0.001 0.000 0.889 17 G HN -0.207 8.010 8.290 -0.004 0.070 0.547 18 S N 1.444 117.144 115.700 -0.001 0.000 2.378 18 S HA -0.315 4.157 4.470 0.003 0.000 0.221 18 S C 1.668 176.270 174.600 0.004 0.000 1.037 18 S CA 2.833 61.033 58.200 0.001 0.000 1.069 18 S CB -0.137 63.062 63.200 -0.002 0.000 1.006 18 S HN 0.144 8.452 8.310 -0.002 0.000 0.423 19 E N -1.859 118.340 120.200 -0.001 0.000 2.285 19 E HA -0.137 4.217 4.350 0.007 0.000 0.194 19 E C 1.356 177.959 176.600 0.005 0.000 0.997 19 E CA 3.632 60.032 56.400 -0.001 0.000 0.845 19 E CB -0.930 28.760 29.700 -0.017 0.000 0.782 19 E HN 0.431 8.788 8.360 -0.005 0.000 0.491 20 T N 1.045 115.601 114.554 0.002 0.000 2.665 20 T HA -0.325 4.026 4.350 0.001 0.000 0.268 20 T C 1.605 176.313 174.700 0.014 0.000 1.035 20 T CA 4.755 66.857 62.100 0.004 0.000 1.151 20 T CB -0.811 68.058 68.868 0.001 0.000 0.862 20 T HN 0.053 8.172 8.240 -0.000 0.120 0.438 21 I N -3.513 117.066 120.570 0.015 0.000 2.493 21 I HA -0.338 3.841 4.170 0.014 0.000 0.254 21 I C 1.072 177.211 176.117 0.036 0.000 1.160 21 I CA 3.538 64.850 61.300 0.019 0.000 1.445 21 I CB -0.757 37.251 38.000 0.013 0.000 1.086 21 I HN -0.724 7.490 8.210 0.012 0.003 0.433 22 I N 1.893 122.496 120.570 0.055 0.000 2.162 22 I HA -0.409 3.832 4.170 0.118 0.000 0.238 22 I C 1.991 178.221 176.117 0.189 0.000 1.076 22 I CA 1.098 62.469 61.300 0.120 0.000 1.353 22 I CB -1.879 36.186 38.000 0.108 0.000 1.063 22 I HN -0.990 7.106 8.210 0.039 0.137 0.408 23 A N -0.278 122.597 122.820 0.091 0.000 1.986 23 A HA -0.373 3.972 4.320 0.041 0.000 0.220 23 A C 1.918 179.553 177.584 0.086 0.000 1.171 23 A CA 3.122 55.194 52.037 0.059 0.000 0.640 23 A CB -0.796 18.198 19.000 -0.010 0.000 0.811 23 A HN 0.516 8.693 8.150 0.045 0.000 0.451 24 A N -2.199 120.657 122.820 0.061 0.000 1.897 24 A HA -0.181 4.159 4.320 0.034 0.000 0.215 24 A C 1.613 179.219 177.584 0.038 0.000 1.181 24 A CA 2.419 54.480 52.037 0.040 0.000 0.620 24 A CB -0.414 18.599 19.000 0.021 0.000 0.821 24 A HN -0.350 7.809 8.150 0.052 0.023 0.443 25 A N -1.323 121.514 122.820 0.029 0.000 1.933 25 A HA -0.275 4.018 4.320 -0.045 0.000 0.218 25 A C 2.222 179.741 177.584 -0.109 0.000 1.175 25 A CA 2.761 54.766 52.037 -0.053 0.000 0.628 25 A CB -0.661 18.276 19.000 -0.106 0.000 0.814 25 A HN -0.463 7.632 8.150 0.049 0.084 0.444 26 F N -2.368 117.521 119.950 -0.101 0.000 2.074 26 F HA -0.357 4.070 4.527 -0.166 0.000 0.293 26 F C 2.138 177.887 175.800 -0.085 0.000 1.116 26 F CA 3.701 61.611 58.000 -0.150 0.000 1.212 26 F CB 0.196 39.053 39.000 -0.238 0.000 0.998 26 F HN -0.302 8.125 8.300 0.230 0.011 0.471 27 S N -1.901 113.880 115.700 0.135 0.000 2.469 27 S HA -0.403 4.077 4.470 0.066 0.029 0.238 27 S C 1.963 176.588 174.600 0.042 0.000 0.998 27 S CA 3.161 61.401 58.200 0.067 0.000 0.957 27 S CB -0.372 62.852 63.200 0.041 0.000 0.764 27 S HN -0.042 8.362 8.310 0.157 0.000 0.514 28 S N -0.296 115.421 115.700 0.029 0.000 2.517 28 S HA 0.090 4.571 4.470 0.018 0.000 0.214 28 S C 0.500 175.104 174.600 0.008 0.000 0.991 28 S CA 1.983 60.191 58.200 0.013 0.000 0.906 28 S CB 0.327 63.529 63.200 0.004 0.000 0.789 28 S HN -0.450 7.713 8.310 0.031 0.166 0.513 29 L N -0.767 120.455 121.223 -0.001 0.000 2.296 29 L HA 0.003 4.347 4.340 0.007 0.000 0.193 29 L C 0.297 177.193 176.870 0.043 0.000 1.123 29 L CA 2.576 57.417 54.840 0.002 0.000 0.805 29 L CB 0.970 42.998 42.059 -0.053 0.000 1.004 29 L HN -0.407 7.634 8.230 -0.002 0.188 0.478 30 L N -8.424 112.838 121.223 0.065 0.000 2.854 30 L HA 0.381 4.771 4.340 0.083 0.000 0.249 30 L C 1.157 178.081 176.870 0.089 0.000 1.091 30 L CA 0.270 55.167 54.840 0.095 0.000 0.935 30 L CB 0.031 42.176 42.059 0.143 0.000 1.367 30 L HN -0.355 7.908 8.230 0.055 0.000 0.524 31 G N 0.945 109.803 108.800 0.097 0.000 2.586 31 G HA2 -0.304 3.696 3.960 0.067 0.000 0.218 31 G HA3 -0.304 3.737 3.960 0.080 -0.033 0.218 31 G C 0.243 175.173 174.900 0.049 0.000 1.216 31 G CA 1.601 46.745 45.100 0.074 0.000 0.786 31 G HN 0.552 8.824 8.290 0.113 0.086 0.583 32 C N -3.796 115.531 119.300 0.044 0.000 4.473 32 C HA -0.436 4.146 4.460 0.030 -0.105 0.272 32 C C -1.054 173.950 174.990 0.022 0.000 1.434 32 C CA 1.247 60.284 59.018 0.032 0.000 1.761 32 C CB -0.573 27.188 27.740 0.036 0.000 1.564 32 C HN -0.319 7.795 8.230 0.049 0.146 0.725 33 D N -3.273 117.138 120.400 0.018 0.000 4.051 33 D HA -0.004 4.638 4.640 0.005 0.000 0.224 33 D C -1.772 174.524 176.300 -0.007 0.000 1.327 33 D CA 0.029 54.032 54.000 0.005 0.000 0.794 33 D CB 0.822 41.624 40.800 0.004 0.000 1.621 33 D HN -0.125 8.170 8.370 0.024 0.089 0.649 34 V N -0.223 119.688 119.914 -0.005 0.000 2.612 34 V HA 0.193 4.284 4.120 -0.049 0.000 0.301 34 V C -0.827 175.246 176.094 -0.034 0.000 1.046 34 V CA -1.219 61.062 62.300 -0.033 0.000 0.946 34 V CB 1.238 33.034 31.823 -0.046 0.000 1.003 34 V HN -0.212 7.986 8.190 0.013 0.000 0.459 35 Q N 1.713 121.477 119.800 -0.059 0.000 2.027 35 Q HA 0.029 4.344 4.340 -0.041 0.000 0.230 35 Q C -1.572 174.386 176.000 -0.070 0.000 0.830 35 Q CA -0.135 55.638 55.803 -0.050 0.000 0.979 35 Q CB 1.604 30.323 28.738 -0.032 0.000 1.289 35 Q HN 0.272 8.495 8.270 -0.078 0.000 0.394 36 D N -1.240 119.095 120.400 -0.108 0.000 2.449 36 D HA 0.306 4.895 4.640 -0.085 0.000 0.250 36 D C -0.780 175.434 176.300 -0.144 0.000 1.050 36 D CA -0.597 53.334 54.000 -0.115 0.000 1.024 36 D CB 2.266 42.992 40.800 -0.123 0.000 1.218 36 D HN -0.505 7.784 8.370 -0.136 0.000 0.566 37 A N -3.498 119.248 122.820 -0.123 0.000 2.419 37 A HA -0.012 4.222 4.320 -0.143 0.000 0.233 37 A C -0.837 176.665 177.584 -0.137 0.000 1.217 37 A CA 1.199 53.162 52.037 -0.123 0.000 0.944 37 A CB 0.804 19.758 19.000 -0.077 0.000 1.025 37 A HN 0.147 8.111 8.150 -0.102 0.124 0.524 38 D N -1.741 118.577 120.400 -0.138 0.000 2.559 38 D HA 0.148 4.718 4.640 -0.117 0.000 0.234 38 D C -1.129 175.074 176.300 -0.162 0.000 1.226 38 D CA -0.970 52.955 54.000 -0.124 0.000 0.830 38 D CB 0.068 40.820 40.800 -0.080 0.000 1.028 38 D HN 0.013 8.304 8.370 -0.133 0.000 0.492 39 A N -1.422 121.244 122.820 -0.257 0.000 2.327 39 A HA -0.111 4.074 4.320 -0.226 0.000 0.255 39 A C -1.836 175.560 177.584 -0.313 0.000 1.099 39 A CA 0.216 52.061 52.037 -0.320 0.000 0.801 39 A CB 0.834 19.520 19.000 -0.523 0.000 1.062 39 A HN -0.469 7.431 8.150 -0.291 0.076 0.496 40 D N -1.422 118.818 120.400 -0.266 0.000 2.505 40 D HA 0.206 4.681 4.640 -0.275 0.000 0.250 40 D C -0.681 175.506 176.300 -0.188 0.000 1.164 40 D CA -1.028 52.841 54.000 -0.217 0.000 0.870 40 D CB 2.069 42.839 40.800 -0.050 0.000 1.160 40 D HN 0.055 8.281 8.370 -0.239 0.000 0.549 41 F N 4.575 124.308 119.950 -0.362 0.000 2.087 41 F HA -0.506 4.107 4.527 0.143 0.000 0.299 41 F C 1.227 176.994 175.800 -0.054 0.000 1.100 41 F CA 3.824 61.737 58.000 -0.146 0.000 1.226 41 F CB -0.047 38.810 39.000 -0.238 0.000 0.983 41 F HN 0.472 8.616 8.300 -0.260 0.000 0.479 42 F N -3.497 116.636 119.950 0.305 0.000 2.065 42 F HA -0.347 4.369 4.527 0.315 0.000 0.298 42 F C 1.752 177.681 175.800 0.214 0.000 1.112 42 F CA 2.435 60.591 58.000 0.260 0.000 1.212 42 F CB -1.433 37.697 39.000 0.217 0.000 0.975 42 F HN -0.262 7.509 8.300 -0.875 0.004 0.476 43 A N -5.138 117.858 122.820 0.293 0.000 2.206 43 A HA -0.121 4.287 4.320 0.146 0.000 0.211 43 A C 0.356 178.015 177.584 0.126 0.000 1.158 43 A CA 0.863 52.996 52.037 0.160 0.000 0.761 43 A CB -0.348 18.710 19.000 0.096 0.000 0.801 43 A HN -0.491 7.740 8.150 0.255 0.072 0.473 44 L N -3.324 117.994 121.223 0.157 0.000 2.554 44 L HA 0.005 4.399 4.340 0.091 0.000 0.225 44 L C 0.042 177.057 176.870 0.243 0.000 1.104 44 L CA -0.266 54.660 54.840 0.144 0.000 0.866 44 L CB 1.023 43.121 42.059 0.066 0.000 1.047 44 L HN -0.549 7.578 8.230 0.201 0.224 0.468 45 G N -2.785 106.211 108.800 0.326 0.000 2.226 45 G HA2 -0.224 3.927 3.960 0.319 0.000 0.176 45 G HA3 -0.224 3.902 3.960 0.278 0.000 0.176 45 G C -0.382 174.793 174.900 0.458 0.000 1.042 45 G CA -0.402 44.904 45.100 0.343 0.000 0.732 45 G HN -0.443 7.899 8.290 0.346 0.155 0.494 46 G N -1.419 107.730 108.800 0.581 0.000 2.614 46 G HA2 -0.155 4.059 3.960 0.423 0.000 0.239 46 G HA3 -0.155 3.963 3.960 0.263 0.000 0.239 46 G C -2.198 173.024 174.900 0.535 0.000 1.240 46 G CA 0.154 45.521 45.100 0.445 0.000 0.842 46 G HN -0.175 8.380 8.290 0.579 0.082 0.584 47 H N -1.186 118.013 119.070 0.214 0.000 2.894 47 H HA -0.047 4.977 4.556 0.780 0.000 0.282 47 H C -0.554 174.918 175.328 0.239 0.000 1.448 47 H CA -0.490 55.796 56.048 0.397 0.000 1.158 47 H CB 2.702 32.604 29.762 0.234 0.000 1.818 47 H HN -0.535 7.771 8.280 0.042 0.000 0.493 48 A N -0.147 122.634 122.820 -0.065 0.000 2.076 48 A HA -0.167 4.147 4.320 -0.010 0.000 0.220 48 A C 0.044 177.620 177.584 -0.014 0.000 1.160 48 A CA 2.765 54.785 52.037 -0.029 0.000 0.653 48 A CB -0.101 18.923 19.000 0.041 0.000 0.801 48 A HN 0.236 8.005 8.150 -0.635 0.000 0.455 49 L N -4.959 116.284 121.223 0.033 0.000 2.262 49 L HA -0.045 4.310 4.340 0.025 0.000 0.197 49 L C 1.950 178.855 176.870 0.058 0.000 1.073 49 L CA 1.557 56.428 54.840 0.052 0.000 0.800 49 L CB 0.038 42.146 42.059 0.081 0.000 0.987 49 L HN -0.486 7.741 8.230 0.069 0.045 0.470 50 L N -0.394 120.899 121.223 0.116 0.000 1.989 50 L HA -0.345 4.066 4.340 0.119 0.000 0.211 50 L C 2.392 179.300 176.870 0.064 0.000 1.071 50 L CA 3.251 58.175 54.840 0.140 0.000 0.749 50 L CB -1.592 40.629 42.059 0.270 0.000 0.890 50 L HN -0.370 7.970 8.230 0.183 0.000 0.431 51 A N -2.024 120.698 122.820 -0.162 0.000 2.067 51 A HA -0.245 3.720 4.320 -0.593 0.000 0.219 51 A C 2.140 179.621 177.584 -0.172 0.000 1.158 51 A CA 2.834 54.602 52.037 -0.448 0.000 0.661 51 A CB -0.791 17.787 19.000 -0.704 0.000 0.801 51 A HN 0.198 8.174 8.150 -0.109 0.109 0.452 52 M N -0.848 118.702 119.600 -0.085 0.000 2.248 52 M HA -0.214 4.227 4.480 -0.065 0.000 0.265 52 M C 1.494 177.777 176.300 -0.029 0.000 1.079 52 M CA 1.993 57.262 55.300 -0.051 0.000 1.150 52 M CB -0.330 32.251 32.600 -0.032 0.000 1.366 52 M HN -0.260 7.824 8.290 -0.060 0.170 0.433 53 K N -0.725 119.668 120.400 -0.012 0.000 2.148 53 K HA -0.241 4.073 4.320 -0.011 0.000 0.204 53 K C 2.978 179.561 176.600 -0.029 0.000 1.050 53 K CA 3.236 59.517 56.287 -0.011 0.000 0.942 53 K CB -0.171 32.330 32.500 0.002 0.000 0.724 53 K HN 0.014 8.263 8.250 -0.002 0.000 0.446 54 L N -1.203 120.001 121.223 -0.032 0.000 2.049 54 L HA -0.309 3.959 4.340 -0.120 0.000 0.203 54 L C 0.791 177.636 176.870 -0.041 0.000 1.074 54 L CA 3.094 57.885 54.840 -0.081 0.000 0.749 54 L CB 0.004 41.985 42.059 -0.131 0.000 0.907 54 L HN -0.225 7.987 8.230 -0.002 0.016 0.439 55 A N -0.944 121.867 122.820 -0.015 0.000 1.873 55 A HA -0.457 3.869 4.320 0.008 0.000 0.218 55 A C 1.711 179.284 177.584 -0.018 0.000 1.193 55 A CA 3.202 55.232 52.037 -0.013 0.000 0.629 55 A CB -1.009 17.968 19.000 -0.038 0.000 0.826 55 A HN -0.253 7.887 8.150 -0.015 0.000 0.447 56 A N -3.179 119.627 122.820 -0.024 0.000 1.969 56 A HA -0.265 4.044 4.320 -0.018 0.000 0.218 56 A C 1.718 179.292 177.584 -0.017 0.000 1.169 56 A CA 2.438 54.463 52.037 -0.019 0.000 0.635 56 A CB -0.503 18.486 19.000 -0.019 0.000 0.810 56 A HN -0.264 7.869 8.150 -0.028 0.000 0.445 57 Q N -0.440 119.347 119.800 -0.022 0.000 2.084 57 Q HA -0.305 4.025 4.340 -0.017 0.000 0.202 57 Q C 2.374 178.365 176.000 -0.016 0.000 0.978 57 Q CA 2.843 58.633 55.803 -0.022 0.000 0.844 57 Q CB -0.168 28.549 28.738 -0.035 0.000 0.898 57 Q HN -0.639 7.505 8.270 -0.027 0.110 0.426 58 L N -1.885 119.330 121.223 -0.015 0.000 2.027 58 L HA -0.363 3.976 4.340 -0.002 0.000 0.206 58 L C 2.078 178.946 176.870 -0.002 0.000 1.074 58 L CA 2.774 57.612 54.840 -0.003 0.000 0.745 58 L CB -0.380 41.684 42.059 0.009 0.000 0.898 58 L HN 0.271 8.489 8.230 -0.020 0.000 0.433 59 S N -1.789 113.908 115.700 -0.005 0.000 2.440 59 S HA -0.341 4.160 4.470 -0.004 -0.033 0.238 59 S C 2.363 176.960 174.600 -0.006 0.000 1.010 59 S CA 3.009 61.206 58.200 -0.006 0.000 0.972 59 S CB -0.185 63.009 63.200 -0.010 0.000 0.774 59 S HN -0.081 8.224 8.310 -0.007 0.000 0.501 60 R N -3.266 117.230 120.500 -0.007 0.000 2.265 60 R HA 0.037 4.373 4.340 -0.006 0.000 0.194 60 R C 1.012 177.309 176.300 -0.004 0.000 0.931 60 R CA 0.501 56.597 56.100 -0.006 0.000 1.032 60 R CB -0.137 30.159 30.300 -0.007 0.000 0.980 60 R HN -0.689 7.421 8.270 -0.008 0.155 0.497 61 Q N -2.280 117.518 119.800 -0.004 0.000 2.396 61 Q HA 0.016 4.355 4.340 -0.002 0.000 0.209 61 Q C 1.026 177.026 176.000 -0.000 0.000 0.906 61 Q CA 1.628 57.430 55.803 -0.002 0.000 0.927 61 Q CB 1.248 29.985 28.738 -0.001 0.000 1.069 61 Q HN -0.361 7.727 8.270 -0.004 0.179 0.523 62 V N -5.307 114.606 119.914 -0.000 0.000 3.528 62 V HA 0.224 4.344 4.120 0.001 0.000 0.294 62 V C -0.781 175.312 176.094 -0.001 0.000 1.404 62 V CA -1.666 60.634 62.300 0.000 0.000 1.065 62 V CB -0.088 31.736 31.823 0.002 0.000 0.904 62 V HN -0.187 7.966 8.190 -0.001 0.036 0.435 63 A N -3.044 119.774 122.820 -0.002 0.000 2.860 63 A HA -0.373 3.945 4.320 -0.004 0.000 0.267 63 A C -1.181 176.401 177.584 -0.004 0.000 1.421 63 A CA 1.369 53.404 52.037 -0.003 0.000 0.831 63 A CB -1.714 17.284 19.000 -0.003 0.000 1.041 63 A HN 0.200 8.294 8.150 -0.003 0.055 0.623 64 R N -2.562 117.935 120.500 -0.004 0.000 3.084 64 R HA 0.187 4.523 4.340 -0.006 0.000 0.234 64 R C -1.914 174.382 176.300 -0.007 0.000 1.433 64 R CA -1.557 54.540 56.100 -0.005 0.000 1.053 64 R CB 2.841 33.139 30.300 -0.004 0.000 1.449 64 R HN -0.771 7.460 8.270 -0.004 0.037 0.505 65 Q N -0.104 119.691 119.800 -0.009 0.000 2.508 65 Q HA 0.209 4.541 4.340 -0.013 0.000 0.247 65 Q C -1.903 174.089 176.000 -0.013 0.000 1.047 65 Q CA -0.354 55.441 55.803 -0.013 0.000 0.783 65 Q CB -0.419 28.310 28.738 -0.015 0.000 1.172 65 Q HN 0.307 8.572 8.270 -0.009 0.000 0.515 66 V N 3.726 123.633 119.914 -0.012 0.000 2.495 66 V HA 0.170 4.283 4.120 -0.012 0.000 0.298 66 V C -1.654 174.429 176.094 -0.017 0.000 1.031 66 V CA -0.925 61.369 62.300 -0.010 0.000 0.871 66 V CB 2.135 33.959 31.823 0.001 0.000 0.988 66 V HN 0.222 8.405 8.190 -0.011 0.000 0.432 67 T N 5.116 119.656 114.554 -0.024 0.000 4.035 67 T HA 0.095 4.421 4.350 -0.041 0.000 0.327 67 T C -2.506 172.165 174.700 -0.048 0.000 0.826 67 T CA 1.135 63.211 62.100 -0.039 0.000 1.268 67 T CB -0.326 68.517 68.868 -0.041 0.000 0.917 67 T HN 0.176 8.402 8.240 -0.022 0.000 0.477 68 P HA 0.020 4.404 4.420 -0.060 0.000 0.269 68 P C 0.277 177.552 177.300 -0.041 0.000 1.252 68 P CA -0.160 62.907 63.100 -0.055 0.000 0.780 68 P CB -0.647 31.013 31.700 -0.067 0.000 0.829 69 G N 5.377 114.157 108.800 -0.034 0.000 2.269 69 G HA2 -0.362 3.590 3.960 -0.013 0.000 0.277 69 G HA3 -0.362 3.592 3.960 -0.010 0.000 0.277 69 G C -0.749 174.142 174.900 -0.015 0.000 1.008 69 G CA 0.810 45.899 45.100 -0.018 0.000 0.774 69 G HN 0.301 8.568 8.290 -0.038 0.000 0.511 70 Q N -2.855 116.933 119.800 -0.020 0.000 2.563 70 Q HA 0.235 4.577 4.340 0.003 0.000 0.367 70 Q C -1.926 174.080 176.000 0.011 0.000 0.845 70 Q CA -0.698 55.103 55.803 -0.004 0.000 1.077 70 Q CB 1.157 29.893 28.738 -0.004 0.000 1.409 70 Q HN -0.718 7.490 8.270 -0.033 0.043 0.396 71 V N -2.539 117.379 119.914 0.007 0.000 5.044 71 V HA 0.043 4.245 4.120 0.136 0.000 0.132 71 V C -0.927 175.235 176.094 0.113 0.000 1.180 71 V CA 0.938 63.275 62.300 0.063 0.000 1.156 71 V CB 1.508 33.301 31.823 -0.050 0.000 1.523 71 V HN -0.385 7.796 8.190 -0.016 0.000 0.618 72 M N -3.222 116.331 119.600 -0.078 0.000 2.959 72 M HA 0.307 4.748 4.480 -0.065 0.000 0.337 72 M C -1.467 174.740 176.300 -0.155 0.000 1.220 72 M CA -0.033 55.155 55.300 -0.188 0.000 0.893 72 M CB -0.512 31.791 32.600 -0.495 0.000 1.322 72 M HN 0.041 8.227 8.290 -0.174 0.000 0.519 73 V N -7.618 112.271 119.914 -0.042 0.000 3.062 73 V HA 0.267 4.454 4.120 0.111 0.000 0.231 73 V C 0.359 176.470 176.094 0.029 0.000 1.632 73 V CA 0.407 62.729 62.300 0.037 0.000 1.115 73 V CB -0.114 31.728 31.823 0.032 0.000 1.041 73 V HN -0.677 7.430 8.190 -0.031 0.065 0.443 74 A N -0.011 122.815 122.820 0.011 0.000 1.903 74 A HA -0.236 4.092 4.320 0.014 0.000 0.219 74 A C 0.275 177.866 177.584 0.012 0.000 1.191 74 A CA 2.836 54.880 52.037 0.012 0.000 0.638 74 A CB 0.030 19.035 19.000 0.009 0.000 0.823 74 A HN -0.105 8.046 8.150 0.001 0.000 0.451 75 S N -7.805 107.898 115.700 0.005 0.000 6.971 75 S HA -0.037 4.439 4.470 0.009 0.000 0.065 75 S C -1.320 173.264 174.600 -0.026 0.000 1.372 75 S CA 0.383 58.582 58.200 -0.002 0.000 1.208 75 S CB 0.786 63.983 63.200 -0.004 0.000 1.531 75 S HN -0.145 8.164 8.310 0.001 0.001 0.542 76 T N -2.790 111.742 114.554 -0.036 0.000 2.661 76 T HA 0.084 4.373 4.350 -0.103 0.000 0.303 76 T C -0.754 173.902 174.700 -0.073 0.000 1.658 76 T CA -0.878 61.174 62.100 -0.080 0.000 0.974 76 T CB 1.634 70.444 68.868 -0.097 0.000 1.857 76 T HN -0.757 7.471 8.240 -0.021 0.000 0.475 77 V N 2.784 122.609 119.914 -0.148 0.000 2.219 77 V HA -0.535 3.555 4.120 -0.049 0.000 0.248 77 V C 1.237 177.299 176.094 -0.054 0.000 1.053 77 V CA 3.697 65.924 62.300 -0.121 0.000 1.009 77 V CB -0.364 31.317 31.823 -0.237 0.000 0.636 77 V HN 0.688 8.744 8.190 -0.223 0.000 0.445 78 A N -1.298 121.482 122.820 -0.066 0.000 1.881 78 A HA -0.541 3.901 4.320 -0.035 -0.143 0.219 78 A C 1.862 179.433 177.584 -0.022 0.000 1.215 78 A CA 3.703 55.716 52.037 -0.040 0.000 0.648 78 A CB -0.792 18.182 19.000 -0.043 0.000 0.832 78 A HN 0.337 8.314 8.150 -0.093 0.117 0.455 79 K N -1.727 118.660 120.400 -0.021 0.000 2.063 79 K HA -0.283 4.032 4.320 -0.009 0.000 0.208 79 K C 2.380 178.981 176.600 0.001 0.000 1.048 79 K CA 2.721 59.003 56.287 -0.009 0.000 0.928 79 K CB -0.235 32.260 32.500 -0.009 0.000 0.713 79 K HN -0.187 8.044 8.250 -0.032 0.000 0.442 80 L N -1.553 119.676 121.223 0.010 0.000 2.081 80 L HA -0.303 4.055 4.340 0.030 0.000 0.212 80 L C 2.184 179.068 176.870 0.024 0.000 1.080 80 L CA 3.138 57.996 54.840 0.031 0.000 0.754 80 L CB -0.856 41.244 42.059 0.069 0.000 0.893 80 L HN 0.364 8.402 8.230 0.001 0.193 0.433 81 A N -4.554 118.275 122.820 0.016 0.000 2.067 81 A HA -0.165 4.165 4.320 0.017 0.000 0.217 81 A C 1.769 179.356 177.584 0.005 0.000 1.156 81 A CA 2.397 54.441 52.037 0.011 0.000 0.683 81 A CB -0.504 18.500 19.000 0.007 0.000 0.808 81 A HN -0.156 7.891 8.150 0.010 0.109 0.455 82 T N 0.343 114.898 114.554 0.002 0.000 3.067 82 T HA -0.109 4.240 4.350 -0.001 0.000 0.257 82 T C 0.803 175.504 174.700 0.001 0.000 1.105 82 T CA 3.382 65.482 62.100 -0.001 0.000 1.104 82 T CB -0.093 68.773 68.868 -0.004 0.000 0.925 82 T HN -0.268 7.797 8.240 0.001 0.176 0.498 83 I N -2.655 117.917 120.570 0.003 0.000 3.081 83 I HA 0.259 4.539 4.170 0.001 -0.110 0.274 83 I C 0.872 176.991 176.117 0.003 0.000 1.178 83 I CA 2.150 63.452 61.300 0.003 0.000 1.460 83 I CB 0.653 38.656 38.000 0.004 0.000 1.137 83 I HN -0.290 7.767 8.210 0.006 0.157 0.443 84 I N -5.936 114.637 120.570 0.006 0.000 3.228 84 I HA -0.202 3.969 4.170 0.003 0.000 0.279 84 I C -0.312 175.807 176.117 0.003 0.000 1.221 84 I CA 2.020 63.323 61.300 0.005 0.000 1.458 84 I CB 0.567 38.572 38.000 0.010 0.000 1.105 84 I HN -0.640 7.575 8.210 0.009 0.000 0.445 85 D N -0.761 119.641 120.400 0.003 0.000 2.490 85 D HA -0.011 4.629 4.640 0.001 0.000 0.244 85 D C 0.509 176.809 176.300 -0.001 0.000 0.979 85 D CA 1.638 55.638 54.000 0.001 0.000 0.924 85 D CB 1.742 42.543 40.800 0.001 0.000 1.075 85 D HN -0.543 7.798 8.370 0.004 0.031 0.488 86 A N -1.437 121.383 122.820 -0.001 0.000 1.972 86 A HA 0.099 4.418 4.320 -0.002 0.000 0.219 86 A C -0.775 176.807 177.584 -0.002 0.000 1.467 86 A CA 0.526 52.562 52.037 -0.002 0.000 0.631 86 A CB 1.484 20.482 19.000 -0.002 0.000 1.143 86 A HN -0.453 7.595 8.150 -0.000 0.101 0.502 87 E N -4.778 115.421 120.200 -0.002 0.000 2.405 87 E HA 0.056 4.404 4.350 -0.003 0.000 0.283 87 E C 0.651 177.249 176.600 -0.002 0.000 1.140 87 E CA -0.119 56.280 56.400 -0.002 0.000 0.904 87 E CB 1.985 31.683 29.700 -0.003 0.000 1.209 87 E HN -0.119 8.141 8.360 -0.001 0.099 0.428 88 E N 5.142 125.341 120.200 -0.002 0.000 2.002 88 E HA -0.354 3.996 4.350 -0.001 0.000 0.205 88 E C -0.111 176.488 176.600 -0.001 0.000 1.020 88 E CA 2.822 59.221 56.400 -0.002 0.000 0.856 88 E CB 0.205 29.903 29.700 -0.004 0.000 0.788 88 E HN 0.510 8.868 8.360 -0.003 0.000 0.477 89 D N -1.186 119.213 120.400 -0.002 0.000 2.701 89 D HA -0.251 4.388 4.640 -0.002 0.000 0.235 89 D C -2.196 174.104 176.300 -0.000 0.000 1.155 89 D CA 0.682 54.681 54.000 -0.001 0.000 0.649 89 D CB -1.322 39.477 40.800 -0.002 0.000 1.050 89 D HN 0.138 8.506 8.370 -0.003 0.000 0.425 90 S N -3.724 111.976 115.700 0.000 0.000 2.588 90 S HA 0.156 4.628 4.470 0.003 0.000 0.269 90 S C -1.872 172.730 174.600 0.003 0.000 1.157 90 S CA -1.021 57.180 58.200 0.002 0.000 0.824 90 S CB 1.809 65.011 63.200 0.003 0.000 1.126 90 S HN -0.862 7.658 8.310 -0.001 -0.210 0.464 91 T N 0.592 115.150 114.554 0.007 0.000 3.089 91 T HA 0.233 4.587 4.350 0.007 0.000 0.340 91 T C -1.008 173.701 174.700 0.015 0.000 1.008 91 T CA 0.054 62.159 62.100 0.009 0.000 1.096 91 T CB 0.720 69.592 68.868 0.008 0.000 1.024 91 T HN 0.099 8.343 8.240 0.007 0.000 0.477 92 R N 4.804 125.315 120.500 0.018 0.000 2.360 92 R HA 0.193 4.549 4.340 0.027 0.000 0.318 92 R C -0.877 175.444 176.300 0.035 0.000 0.950 92 R CA -1.438 54.678 56.100 0.027 0.000 0.837 92 R CB 1.342 31.659 30.300 0.028 0.000 1.165 92 R HN 0.155 8.434 8.270 0.014 0.000 0.458 93 R N 6.048 126.574 120.500 0.043 0.000 2.633 93 R HA -0.247 4.128 4.340 0.058 0.000 0.357 93 R C 0.204 176.546 176.300 0.071 0.000 0.923 93 R CA 0.903 57.038 56.100 0.058 0.000 1.046 93 R CB -1.240 29.094 30.300 0.057 0.000 0.924 93 R HN 0.430 8.723 8.270 0.038 0.000 0.413 94 M N 1.127 120.771 119.600 0.075 0.000 2.150 94 M HA 0.032 4.543 4.480 0.051 0.000 0.278 94 M C 1.490 177.862 176.300 0.120 0.000 1.213 94 M CA 1.276 56.622 55.300 0.077 0.000 1.147 94 M CB 0.553 33.193 32.600 0.067 0.000 1.371 94 M HN -0.669 7.661 8.290 0.067 0.000 0.444 95 G N -1.021 107.843 108.800 0.107 0.000 2.501 95 G HA2 -0.309 3.754 3.960 0.172 0.000 0.220 95 G HA3 -0.309 3.766 3.960 0.192 0.000 0.220 95 G C 0.233 175.262 174.900 0.215 0.000 1.114 95 G CA 1.511 46.717 45.100 0.176 0.000 0.757 95 G HN 0.544 8.861 8.290 0.043 0.000 0.559 96 F N -0.587 119.406 119.950 0.072 0.000 2.451 96 F HA -0.184 4.391 4.527 0.081 0.000 0.299 96 F C 0.058 175.897 175.800 0.065 0.000 1.101 96 F CA 0.760 58.799 58.000 0.066 0.000 1.436 96 F CB 0.163 39.186 39.000 0.037 0.000 1.074 96 F HN -0.473 7.968 8.300 0.321 0.051 0.553 97 E N -0.770 119.545 120.200 0.191 0.000 3.136 97 E HA -0.072 4.366 4.350 0.147 0.000 0.271 97 E C 0.932 177.567 176.600 0.058 0.000 1.454 97 E CA 0.866 57.340 56.400 0.123 0.000 1.194 97 E CB 0.524 30.287 29.700 0.105 0.000 1.175 97 E HN -0.510 7.793 8.360 0.202 0.179 0.726 98 T N -3.352 111.231 114.554 0.049 0.000 2.937 98 T HA -0.209 4.155 4.350 0.023 0.000 0.260 98 T C -1.060 173.668 174.700 0.046 0.000 1.051 98 T CA 2.243 64.363 62.100 0.033 0.000 1.141 98 T CB 0.625 69.504 68.868 0.018 0.000 0.879 98 T HN 0.100 8.372 8.240 0.054 0.000 0.459 99 I N -1.624 118.974 120.570 0.046 0.000 2.892 99 I HA 0.232 4.437 4.170 0.059 0.000 0.306 99 I C -2.293 173.859 176.117 0.058 0.000 1.078 99 I CA -2.776 58.552 61.300 0.046 0.000 1.032 99 I CB 3.174 41.185 38.000 0.019 0.000 1.229 99 I HN -0.747 7.489 8.210 0.045 0.000 0.435 100 L N 2.370 123.621 121.223 0.047 0.000 2.427 100 L HA 0.558 4.926 4.340 0.047 0.000 0.264 100 L C -2.522 174.323 176.870 -0.041 0.000 0.989 100 L CA -3.550 51.305 54.840 0.026 0.000 0.865 100 L CB 3.361 45.454 42.059 0.057 0.000 1.209 100 L HN -0.001 8.252 8.230 0.039 0.000 0.430 101 P HA 0.106 4.497 4.420 -0.048 0.000 0.268 101 P C -0.732 176.592 177.300 0.040 0.000 1.282 101 P CA -0.229 62.867 63.100 -0.006 0.000 0.880 101 P CB -0.183 31.531 31.700 0.022 0.000 0.971 102 L N 2.289 123.495 121.223 -0.027 0.000 2.249 102 L HA 0.010 4.495 4.340 0.242 0.000 0.207 102 L C 0.504 177.506 176.870 0.219 0.000 1.090 102 L CA 0.905 55.789 54.840 0.074 0.000 0.802 102 L CB 0.674 42.695 42.059 -0.062 0.000 0.947 102 L HN -0.581 7.606 8.230 -0.072 0.000 0.453 103 R N -2.555 118.007 120.500 0.104 0.000 2.585 103 R HA 0.145 4.553 4.340 0.113 0.000 0.288 103 R C -2.387 173.917 176.300 0.007 0.000 1.194 103 R CA 0.088 56.242 56.100 0.090 0.000 1.006 103 R CB 3.040 33.421 30.300 0.135 0.000 1.229 103 R HN -0.591 7.699 8.270 0.033 0.000 0.412 104 E N 5.643 125.851 120.200 0.014 0.000 2.409 104 E HA 0.096 4.417 4.350 -0.050 0.000 0.259 104 E C -0.878 175.724 176.600 0.002 0.000 0.932 104 E CA -0.307 56.082 56.400 -0.019 0.000 0.809 104 E CB 0.316 29.999 29.700 -0.028 0.000 1.341 104 E HN 0.334 8.718 8.360 0.040 0.000 0.405 105 G N 4.478 113.280 108.800 0.003 0.000 2.334 105 G HA2 -0.146 3.818 3.960 0.006 0.000 0.222 105 G HA3 -0.146 3.823 3.960 0.015 0.000 0.222 105 G C -1.061 173.855 174.900 0.027 0.000 1.077 105 G CA 0.255 45.363 45.100 0.013 0.000 0.861 105 G HN 0.473 8.760 8.290 -0.006 0.000 0.508 106 N N -0.699 118.023 118.700 0.037 0.000 2.984 106 N HA 0.324 5.097 4.740 0.054 0.000 0.235 106 N C 0.182 175.729 175.510 0.062 0.000 1.025 106 N CA 0.298 53.387 53.050 0.064 0.000 1.173 106 N CB 1.112 39.670 38.487 0.118 0.000 1.615 106 N HN 0.015 8.409 8.380 0.024 0.000 0.560 107 G N -1.554 107.290 108.800 0.073 0.000 3.249 107 G HA2 -0.007 3.976 3.960 0.039 0.000 0.124 107 G HA3 -0.007 4.004 3.960 0.085 0.000 0.124 107 G C -2.735 172.203 174.900 0.064 0.000 1.128 107 G CA 0.297 45.436 45.100 0.066 0.000 1.461 107 G HN -0.230 8.107 8.290 0.078 0.000 0.683 108 P HA 0.121 4.602 4.420 0.102 0.000 0.269 108 P C -1.453 175.807 177.300 -0.065 0.000 1.263 108 P CA -0.379 62.809 63.100 0.147 0.000 0.813 108 P CB -0.390 31.527 31.700 0.362 0.000 0.868 109 T N 1.752 116.223 114.554 -0.138 0.000 2.897 109 T HA 0.084 4.261 4.350 -0.468 -0.108 0.294 109 T C -0.718 173.781 174.700 -0.336 0.000 1.004 109 T CA -0.850 61.067 62.100 -0.304 0.000 1.106 109 T CB 1.440 70.214 68.868 -0.157 0.000 0.949 109 T HN -0.144 8.062 8.240 -0.056 0.000 0.520 110 L N 4.422 125.281 121.223 -0.606 0.000 2.406 110 L HA 0.422 4.759 4.340 -0.004 0.000 0.270 110 L C -2.280 174.458 176.870 -0.221 0.000 0.982 110 L CA -0.449 54.174 54.840 -0.361 0.000 0.843 110 L CB 3.223 44.859 42.059 -0.704 0.000 1.225 110 L HN 0.167 7.854 8.230 -0.743 0.097 0.412 111 F N 6.794 126.743 119.950 -0.003 0.000 2.434 111 F HA 0.230 4.670 4.527 -0.144 0.000 0.358 111 F C -0.613 175.186 175.800 -0.002 0.000 1.136 111 F CA -0.455 57.500 58.000 -0.075 0.000 1.157 111 F CB 0.349 39.243 39.000 -0.177 0.000 1.167 111 F HN -0.186 8.304 8.300 0.318 0.000 0.539 112 C N 6.339 125.696 119.300 0.095 0.000 2.246 112 C HA 0.059 4.573 4.460 0.090 0.000 0.329 112 C C -2.187 172.884 174.990 0.135 0.000 1.221 112 C CA 0.408 59.436 59.018 0.016 0.000 1.697 112 C CB 0.444 27.974 27.740 -0.350 0.000 2.312 112 C HN 0.293 8.508 8.230 -0.025 0.000 0.509 113 F N 5.412 125.265 119.950 -0.161 0.000 2.631 113 F HA 0.371 4.808 4.527 -0.151 0.000 0.328 113 F C -2.065 173.500 175.800 -0.392 0.000 1.067 113 F CA -2.002 55.792 58.000 -0.345 0.000 0.969 113 F CB 4.105 42.694 39.000 -0.686 0.000 1.332 113 F HN -0.427 7.913 8.300 0.067 0.000 0.490 114 H N -2.814 115.857 119.070 -0.664 0.000 2.982 114 H HA -0.221 3.933 4.556 -0.670 0.000 0.336 114 H C -1.933 173.300 175.328 -0.159 0.000 1.302 114 H CA -0.401 55.362 56.048 -0.474 0.000 1.204 114 H CB -1.762 27.829 29.762 -0.285 0.000 1.502 114 H HN 0.701 7.974 8.280 -1.678 0.000 0.446 115 P HA -0.146 4.403 4.420 0.214 0.000 0.221 115 P C -0.160 177.246 177.300 0.177 0.000 1.150 115 P CA 0.773 63.943 63.100 0.116 0.000 0.800 115 P CB 0.321 32.046 31.700 0.041 0.000 0.787 116 A N -6.118 116.697 122.820 -0.009 0.000 2.798 116 A HA -0.288 3.971 4.320 -0.102 0.000 0.282 116 A C -2.107 175.502 177.584 0.042 0.000 1.464 116 A CA 0.884 52.877 52.037 -0.074 0.000 0.844 116 A CB -1.204 17.590 19.000 -0.343 0.000 1.006 116 A HN 0.277 8.356 8.150 -0.077 0.025 0.577 117 S N -4.969 110.766 115.700 0.058 0.000 2.651 117 S HA 0.185 4.680 4.470 0.042 0.000 0.279 117 S C 0.531 175.097 174.600 -0.058 0.000 1.148 117 S CA -1.702 56.520 58.200 0.037 0.000 0.837 117 S CB 2.582 65.829 63.200 0.079 0.000 1.138 117 S HN -0.745 7.545 8.310 0.035 0.041 0.478 118 G N 0.517 109.211 108.800 -0.176 0.000 2.545 118 G HA2 -0.269 3.542 3.960 -0.249 0.000 0.217 118 G HA3 -0.269 3.220 3.960 -0.786 0.000 0.217 118 G C -0.971 173.714 174.900 -0.358 0.000 1.218 118 G CA 1.481 46.325 45.100 -0.427 0.000 0.787 118 G HN 0.357 8.566 8.290 -0.135 0.000 0.571 119 F N -3.812 116.012 119.950 -0.212 0.000 2.594 119 F HA 0.289 4.697 4.527 -0.573 -0.225 0.335 119 F C -0.244 175.310 175.800 -0.411 0.000 1.058 119 F CA -3.535 54.107 58.000 -0.597 0.000 0.981 119 F CB 2.602 40.808 39.000 -1.324 0.000 1.289 119 F HN -0.829 7.180 8.300 -0.485 0.000 0.490 120 A N -0.315 122.297 122.820 -0.346 0.000 2.985 120 A HA 0.365 4.708 4.320 0.039 0.000 0.303 120 A C -1.461 176.235 177.584 0.187 0.000 1.048 120 A CA -0.534 51.476 52.037 -0.044 0.000 1.016 120 A CB 0.476 19.473 19.000 -0.004 0.000 1.118 120 A HN 0.431 8.156 8.150 -0.709 0.000 0.529 121 W N -4.139 117.358 121.300 0.328 0.000 3.005 121 W HA 0.234 5.043 4.660 0.248 0.000 0.374 121 W C 0.274 177.009 176.519 0.361 0.000 1.076 121 W CA -2.022 55.528 57.345 0.341 0.000 1.794 121 W CB -0.722 28.991 29.460 0.423 0.000 1.113 121 W HN -0.073 8.111 8.180 0.101 0.058 0.584 122 Q N -2.795 117.266 119.800 0.436 0.000 2.189 122 Q HA -0.013 4.497 4.340 0.284 0.000 0.221 122 Q C -0.928 175.116 176.000 0.073 0.000 0.848 122 Q CA -0.034 55.923 55.803 0.258 0.000 1.007 122 Q CB -0.478 28.366 28.738 0.177 0.000 1.116 122 Q HN -0.303 8.124 8.270 0.365 0.062 0.481 123 F N -3.285 116.628 119.950 -0.061 0.000 2.731 123 F HA 0.223 4.351 4.527 -0.664 0.000 0.298 123 F C 0.456 176.120 175.800 -0.226 0.000 1.106 123 F CA -1.456 56.377 58.000 -0.278 0.000 1.329 123 F CB 0.886 39.836 39.000 -0.083 0.000 1.100 123 F HN -0.466 8.042 8.300 0.485 0.083 0.592 124 S N 1.444 116.830 115.700 -0.524 0.000 2.420 124 S HA -0.317 3.610 4.470 -0.905 0.000 0.237 124 S C 1.658 176.007 174.600 -0.417 0.000 1.023 124 S CA 3.427 61.312 58.200 -0.525 0.000 0.991 124 S CB -0.376 62.802 63.200 -0.037 0.000 0.792 124 S HN -0.002 8.243 8.310 -0.033 0.045 0.488 125 V N 0.807 120.476 119.914 -0.408 0.000 2.332 125 V HA -0.337 3.705 4.120 -0.129 0.000 0.248 125 V C 0.916 176.800 176.094 -0.350 0.000 1.055 125 V CA 3.172 65.270 62.300 -0.337 0.000 1.038 125 V CB -0.367 31.207 31.823 -0.414 0.000 0.651 125 V HN -0.191 7.707 8.190 -0.419 0.040 0.450 126 L N -1.648 119.238 121.223 -0.562 0.000 2.102 126 L HA -0.152 4.116 4.340 -0.120 0.000 0.202 126 L C 1.276 178.043 176.870 -0.173 0.000 1.076 126 L CA 2.802 57.480 54.840 -0.270 0.000 0.761 126 L CB 0.069 42.023 42.059 -0.175 0.000 0.921 126 L HN -0.471 7.142 8.230 -0.862 0.100 0.444 127 S N -1.120 114.354 115.700 -0.377 0.000 2.442 127 S HA -0.381 4.119 4.470 0.050 0.000 0.236 127 S C 2.443 176.947 174.600 -0.161 0.000 1.007 127 S CA 3.234 61.331 58.200 -0.173 0.000 0.965 127 S CB -0.220 62.776 63.200 -0.339 0.000 0.773 127 S HN -0.264 7.593 8.310 -0.755 0.000 0.504 128 R N 0.389 120.808 120.500 -0.136 0.000 2.223 128 R HA 0.059 4.487 4.340 -0.094 -0.145 0.198 128 R C 1.079 177.358 176.300 -0.034 0.000 0.984 128 R CA 1.749 57.811 56.100 -0.063 0.000 1.018 128 R CB 0.330 30.627 30.300 -0.005 0.000 0.945 128 R HN -0.161 7.958 8.270 -0.184 0.041 0.479 129 Y N -2.909 117.290 120.300 -0.168 0.000 2.420 129 Y HA -0.234 4.253 4.550 -0.105 0.000 0.292 129 Y C 1.156 176.965 175.900 -0.151 0.000 1.119 129 Y CA 2.764 60.789 58.100 -0.125 0.000 1.229 129 Y CB 0.720 39.133 38.460 -0.079 0.000 1.026 129 Y HN -0.672 7.574 8.280 0.141 0.119 0.554 130 L N -7.276 113.896 121.223 -0.085 0.000 2.221 130 L HA 0.206 4.467 4.340 -0.132 0.000 0.202 130 L C 0.159 176.796 176.870 -0.387 0.000 1.074 130 L CA 1.025 55.737 54.840 -0.214 0.000 0.795 130 L CB 1.054 42.966 42.059 -0.244 0.000 0.960 130 L HN -0.445 7.704 8.230 -0.089 0.027 0.458 131 D N -1.891 118.195 120.400 -0.522 0.000 2.523 131 D HA 0.545 4.929 4.640 -0.427 0.000 0.236 131 D C -2.099 174.011 176.300 -0.317 0.000 1.094 131 D CA -2.180 51.481 54.000 -0.565 0.000 0.942 131 D CB 2.424 42.521 40.800 -1.172 0.000 1.447 131 D HN -0.883 7.205 8.370 -0.469 0.000 0.479 132 P HA -0.090 4.265 4.420 -0.110 0.000 0.215 132 P C -1.185 176.094 177.300 -0.035 0.000 1.157 132 P CA 1.880 64.919 63.100 -0.102 0.000 0.859 132 P CB 1.400 33.059 31.700 -0.068 0.000 0.786 133 Q N -7.444 112.375 119.800 0.032 0.000 2.429 133 Q HA 0.088 4.534 4.340 0.176 0.000 0.201 133 Q C -0.653 175.524 176.000 0.295 0.000 0.599 133 Q CA -0.643 55.250 55.803 0.149 0.000 1.049 133 Q CB -1.086 27.704 28.738 0.088 0.000 1.424 133 Q HN -0.530 7.748 8.270 0.014 0.000 0.334 134 W N 0.210 121.518 121.300 0.014 0.000 1.629 134 W HA -0.041 4.627 4.660 0.012 0.000 0.336 134 W C -0.890 175.650 176.519 0.035 0.000 1.478 134 W CA -2.914 54.443 57.345 0.020 0.000 1.673 134 W CB -0.656 28.815 29.460 0.019 0.000 1.454 134 W HN -0.327 8.055 8.180 0.337 0.000 0.761 135 S N -0.381 115.282 115.700 -0.062 0.000 2.499 135 S HA 0.093 4.571 4.470 -0.096 -0.066 0.275 135 S C -0.490 173.778 174.600 -0.553 0.000 1.257 135 S CA -0.385 57.672 58.200 -0.238 0.000 1.050 135 S CB 0.221 63.305 63.200 -0.194 0.000 0.937 135 S HN -0.392 7.931 8.310 0.022 0.000 0.490 136 I N 1.255 121.645 120.570 -0.300 0.000 2.644 136 I HA 0.631 4.713 4.170 -0.432 -0.171 0.291 136 I C -2.070 173.944 176.117 -0.172 0.000 1.180 136 I CA -1.234 59.918 61.300 -0.247 0.000 1.040 136 I CB 3.537 41.621 38.000 0.140 0.000 1.255 136 I HN 0.617 8.619 8.210 -0.146 0.121 0.422 137 I N -1.392 119.000 120.570 -0.296 0.000 2.529 137 I HA 0.661 4.736 4.170 -0.158 0.000 0.284 137 I C -1.466 174.544 176.117 -0.178 0.000 1.088 137 I CA -1.493 59.663 61.300 -0.240 0.000 1.062 137 I CB 2.621 40.442 38.000 -0.298 0.000 1.218 137 I HN -0.258 7.715 8.210 -0.395 0.000 0.442 138 G N 4.618 113.334 108.800 -0.139 0.000 2.335 138 G HA2 0.402 4.558 3.960 -0.007 0.000 0.316 138 G HA3 0.402 4.271 3.960 -0.151 0.000 0.316 138 G C -1.215 173.726 174.900 0.067 0.000 1.129 138 G CA -1.521 43.542 45.100 -0.061 0.000 0.899 138 G HN 0.005 8.209 8.290 -0.143 0.000 0.448 139 I N 5.895 126.571 120.570 0.176 0.000 2.329 139 I HA -0.160 4.074 4.170 0.107 0.000 0.295 139 I C -1.243 175.046 176.117 0.287 0.000 1.109 139 I CA 0.864 62.277 61.300 0.188 0.000 1.297 139 I CB -0.775 37.251 38.000 0.044 0.000 1.433 139 I HN -0.287 8.073 8.210 0.249 0.000 0.509 140 Q N 6.357 126.265 119.800 0.181 0.000 2.482 140 Q HA 0.418 4.852 4.340 0.156 0.000 0.286 140 Q C -2.113 173.963 176.000 0.128 0.000 1.007 140 Q CA -1.625 54.267 55.803 0.148 0.000 0.801 140 Q CB 4.206 33.004 28.738 0.100 0.000 1.455 140 Q HN -0.163 8.197 8.270 0.151 0.000 0.398 141 S N 1.165 116.918 115.700 0.087 0.000 2.578 141 S HA 0.515 5.036 4.470 0.084 0.000 0.272 141 S C -3.057 171.550 174.600 0.011 0.000 1.145 141 S CA -1.806 56.415 58.200 0.035 0.000 0.835 141 S CB 1.424 64.599 63.200 -0.042 0.000 1.104 141 S HN 0.255 8.612 8.310 0.079 0.000 0.458 142 P HA 0.088 4.613 4.420 0.175 0.000 0.272 142 P C -1.512 175.732 177.300 -0.094 0.000 1.230 142 P CA 0.171 63.268 63.100 -0.005 0.000 0.788 142 P CB 0.621 32.297 31.700 -0.041 0.000 0.949 143 R N -0.753 119.743 120.500 -0.006 0.000 2.545 143 R HA 0.297 4.602 4.340 -0.059 0.000 0.289 143 R C -1.568 174.745 176.300 0.022 0.000 1.327 143 R CA -2.132 53.958 56.100 -0.016 0.000 1.040 143 R CB -0.650 29.648 30.300 -0.003 0.000 1.176 143 R HN 0.114 8.421 8.270 0.062 0.000 0.518 144 P HA -0.045 4.421 4.420 0.075 0.000 0.219 144 P C -0.923 176.406 177.300 0.048 0.000 1.150 144 P CA 0.753 63.894 63.100 0.068 0.000 0.814 144 P CB 0.472 32.242 31.700 0.116 0.000 0.787 145 N N -4.753 113.967 118.700 0.034 0.000 2.815 145 N HA -0.013 4.740 4.740 0.021 0.000 0.212 145 N C -1.368 174.151 175.510 0.016 0.000 1.306 145 N CA 0.078 53.143 53.050 0.025 0.000 1.744 145 N CB -0.282 38.223 38.487 0.030 0.000 1.438 145 N HN -0.431 7.945 8.380 0.028 0.021 0.632 146 G N 1.835 110.639 108.800 0.007 0.000 2.209 146 G HA2 -0.164 3.798 3.960 0.004 0.000 0.271 146 G HA3 -0.164 3.915 3.960 -0.005 -0.122 0.271 146 G C -0.411 174.488 174.900 -0.001 0.000 1.111 146 G CA -0.532 44.568 45.100 0.001 0.000 1.092 146 G HN -0.147 8.146 8.290 0.006 0.000 0.416 147 P HA -0.100 4.319 4.420 -0.002 0.000 0.219 147 P C 0.215 177.510 177.300 -0.007 0.000 1.150 147 P CA 1.894 64.993 63.100 -0.001 0.000 0.814 147 P CB 0.591 32.292 31.700 0.003 0.000 0.787 148 M N -3.255 116.341 119.600 -0.007 0.000 2.509 148 M HA 0.090 4.562 4.480 -0.013 0.000 0.250 148 M C 1.019 177.310 176.300 -0.016 0.000 1.132 148 M CA 0.617 55.910 55.300 -0.011 0.000 1.080 148 M CB 0.134 32.729 32.600 -0.009 0.000 1.408 148 M HN -0.109 8.159 8.290 -0.004 0.020 0.484 149 Q N -2.287 117.504 119.800 -0.015 0.000 2.437 149 Q HA -0.194 4.135 4.340 -0.018 0.000 0.210 149 Q C 1.063 177.045 176.000 -0.029 0.000 0.972 149 Q CA 2.365 58.157 55.803 -0.019 0.000 0.903 149 Q CB -1.024 27.704 28.738 -0.016 0.000 0.967 149 Q HN 0.187 8.278 8.270 -0.011 0.172 0.486 150 T N -4.261 110.276 114.554 -0.028 0.000 2.614 150 T HA -0.345 3.980 4.350 -0.042 0.000 0.263 150 T C 0.194 174.869 174.700 -0.042 0.000 1.055 150 T CA 2.600 64.678 62.100 -0.036 0.000 1.162 150 T CB 0.245 69.095 68.868 -0.030 0.000 0.863 150 T HN -0.625 7.531 8.240 -0.023 0.070 0.414 151 A N -2.787 120.011 122.820 -0.037 0.000 2.140 151 A HA 0.182 4.473 4.320 -0.048 0.000 0.199 151 A C 0.668 178.226 177.584 -0.043 0.000 1.416 151 A CA 0.294 52.306 52.037 -0.042 0.000 1.018 151 A CB 0.877 19.855 19.000 -0.038 0.000 1.117 151 A HN -0.334 7.797 8.150 -0.032 0.000 0.480 152 A N -0.526 122.273 122.820 -0.035 0.000 2.278 152 A HA -0.144 4.152 4.320 -0.041 0.000 0.212 152 A C 0.274 177.842 177.584 -0.026 0.000 1.213 152 A CA 1.006 53.023 52.037 -0.032 0.000 0.840 152 A CB -0.911 18.073 19.000 -0.025 0.000 0.866 152 A HN -0.136 7.996 8.150 -0.030 0.000 0.489 153 N N -0.901 117.783 118.700 -0.028 0.000 2.120 153 N HA -0.321 4.414 4.740 -0.008 0.000 0.188 153 N C 1.625 177.128 175.510 -0.012 0.000 1.024 153 N CA 3.213 56.252 53.050 -0.019 0.000 0.852 153 N CB -0.508 37.961 38.487 -0.030 0.000 1.003 153 N HN -0.288 7.972 8.380 -0.034 0.100 0.424 154 L N -1.904 119.300 121.223 -0.031 0.000 2.079 154 L HA -0.395 3.931 4.340 -0.024 0.000 0.210 154 L C 2.036 178.905 176.870 -0.002 0.000 1.081 154 L CA 3.049 57.872 54.840 -0.028 0.000 0.752 154 L CB -0.681 41.342 42.059 -0.060 0.000 0.896 154 L HN -0.529 7.675 8.230 -0.044 0.000 0.433 155 D N -1.515 118.875 120.400 -0.017 0.000 2.103 155 D HA -0.214 4.415 4.640 -0.017 0.000 0.199 155 D C 2.282 178.588 176.300 0.011 0.000 0.978 155 D CA 3.619 57.611 54.000 -0.014 0.000 0.829 155 D CB -0.106 40.676 40.800 -0.030 0.000 0.981 155 D HN -0.682 7.562 8.370 -0.029 0.109 0.464 156 E N -0.257 119.952 120.200 0.015 0.000 2.017 156 E HA -0.309 4.050 4.350 0.015 0.000 0.193 156 E C 2.699 179.338 176.600 0.066 0.000 0.997 156 E CA 3.116 59.532 56.400 0.027 0.000 0.804 156 E CB 0.176 29.887 29.700 0.019 0.000 0.757 156 E HN -0.489 7.874 8.360 0.005 0.000 0.448 157 V N -3.634 116.345 119.914 0.109 0.000 2.392 157 V HA -0.436 3.834 4.120 0.249 0.000 0.249 157 V C 1.782 178.069 176.094 0.321 0.000 1.059 157 V CA 3.818 66.271 62.300 0.255 0.000 1.051 157 V CB -0.465 31.507 31.823 0.248 0.000 0.658 157 V HN 0.489 8.619 8.190 0.075 0.105 0.455 158 C N 1.571 120.990 119.300 0.197 0.000 2.436 158 C HA -0.503 4.092 4.460 0.224 0.000 0.277 158 C C 1.961 176.967 174.990 0.026 0.000 1.241 158 C CA 5.741 64.839 59.018 0.134 0.000 1.721 158 C CB -0.575 27.205 27.740 0.067 0.000 2.043 158 C HN -0.506 7.706 8.230 0.135 0.098 0.472 159 E N -1.341 118.864 120.200 0.008 0.000 2.070 159 E HA -0.457 3.867 4.350 -0.044 0.000 0.197 159 E C 2.292 178.854 176.600 -0.064 0.000 1.004 159 E CA 3.343 59.725 56.400 -0.030 0.000 0.805 159 E CB -0.455 29.233 29.700 -0.019 0.000 0.744 159 E HN -0.447 7.928 8.360 0.024 0.000 0.451 160 A N -0.815 121.980 122.820 -0.042 0.000 1.849 160 A HA -0.349 3.929 4.320 -0.070 0.000 0.217 160 A C 1.876 179.334 177.584 -0.210 0.000 1.202 160 A CA 3.194 55.184 52.037 -0.078 0.000 0.629 160 A CB -1.000 17.995 19.000 -0.008 0.000 0.834 160 A HN -0.129 8.024 8.150 0.006 0.000 0.447 161 H N 0.537 119.317 119.070 -0.482 0.000 2.254 161 H HA -0.359 3.711 4.556 -0.809 0.000 0.294 161 H C 2.447 177.398 175.328 -0.628 0.000 1.071 161 H CA 3.812 59.357 56.048 -0.838 0.000 1.228 161 H CB 0.110 28.923 29.762 -1.582 0.000 1.358 161 H HN -0.528 7.616 8.280 -0.228 0.000 0.495 162 L N -1.608 119.436 121.223 -0.297 0.000 1.997 162 L HA -0.552 3.577 4.340 -0.352 0.000 0.216 162 L C 1.900 178.573 176.870 -0.328 0.000 1.074 162 L CA 3.657 58.324 54.840 -0.288 0.000 0.763 162 L CB -0.462 41.516 42.059 -0.136 0.000 0.890 162 L HN -0.227 7.924 8.230 -0.132 0.000 0.434 163 A N -3.299 119.380 122.820 -0.234 0.000 1.927 163 A HA -0.442 3.795 4.320 -0.138 0.000 0.220 163 A C 1.972 179.432 177.584 -0.206 0.000 1.185 163 A CA 3.564 55.495 52.037 -0.175 0.000 0.639 163 A CB -1.073 17.855 19.000 -0.121 0.000 0.820 163 A HN 0.531 8.454 8.150 -0.197 0.109 0.451 164 T N 0.648 115.026 114.554 -0.294 0.000 2.821 164 T HA -0.319 3.967 4.350 -0.108 0.000 0.267 164 T C 1.818 176.348 174.700 -0.284 0.000 1.046 164 T CA 4.123 66.086 62.100 -0.228 0.000 1.139 164 T CB -0.287 68.470 68.868 -0.185 0.000 0.871 164 T HN -0.574 7.352 8.240 -0.358 0.099 0.454 165 L N 1.599 122.405 121.223 -0.695 0.000 1.988 165 L HA -0.305 3.563 4.340 -0.786 0.000 0.207 165 L C 1.504 178.196 176.870 -0.296 0.000 1.071 165 L CA 3.828 58.214 54.840 -0.757 0.000 0.744 165 L CB -0.658 40.791 42.059 -1.016 0.000 0.893 165 L HN -0.248 7.391 8.230 -0.833 0.091 0.433 166 L N -4.509 116.571 121.223 -0.237 0.000 2.353 166 L HA -0.125 4.401 4.340 -0.069 -0.227 0.220 166 L C 2.364 179.197 176.870 -0.060 0.000 1.133 166 L CA 1.327 56.102 54.840 -0.108 0.000 0.798 166 L CB -1.731 40.271 42.059 -0.095 0.000 0.922 166 L HN 0.334 8.385 8.230 -0.299 0.000 0.445 167 E N -1.717 118.439 120.200 -0.073 0.000 2.158 167 E HA -0.124 4.211 4.350 -0.025 0.000 0.191 167 E C 1.289 177.893 176.600 0.008 0.000 0.982 167 E CA 1.889 58.271 56.400 -0.031 0.000 0.823 167 E CB -0.087 29.591 29.700 -0.037 0.000 0.766 167 E HN -0.479 7.634 8.360 -0.125 0.172 0.468 168 Q N -1.708 118.115 119.800 0.038 0.000 2.302 168 Q HA -0.070 4.306 4.340 0.061 0.000 0.202 168 Q C 0.163 176.224 176.000 0.100 0.000 0.936 168 Q CA 1.639 57.496 55.803 0.091 0.000 0.886 168 Q CB 1.620 30.468 28.738 0.182 0.000 0.986 168 Q HN -0.487 7.691 8.270 0.017 0.102 0.487 169 Q N -4.839 115.020 119.800 0.097 0.000 2.545 169 Q HA 0.326 4.689 4.340 0.037 0.000 0.273 169 Q C -2.358 173.678 176.000 0.061 0.000 0.975 169 Q CA -1.844 54.008 55.803 0.082 0.000 0.876 169 Q CB 3.047 31.869 28.738 0.140 0.000 1.472 169 Q HN -0.241 8.067 8.270 0.064 0.000 0.389 170 P HA -0.080 4.384 4.420 0.074 0.000 0.215 170 P C -1.767 175.642 177.300 0.182 0.000 1.157 170 P CA 1.532 64.696 63.100 0.106 0.000 0.859 170 P CB 0.625 32.432 31.700 0.179 0.000 0.786 171 H N -6.988 112.113 119.070 0.051 0.000 2.981 171 H HA 0.110 4.707 4.556 0.069 0.000 0.327 171 H C -1.768 173.598 175.328 0.062 0.000 1.342 171 H CA -1.282 54.800 56.048 0.056 0.000 1.123 171 H CB 1.947 31.724 29.762 0.025 0.000 1.851 171 H HN -0.684 7.477 8.280 -0.199 0.000 0.531 172 G N -2.493 106.368 108.800 0.103 0.000 2.369 172 G HA2 -0.128 3.837 3.960 0.008 0.000 0.307 172 G HA3 -0.128 3.754 3.960 -0.130 0.000 0.307 172 G C -3.413 171.475 174.900 -0.019 0.000 1.327 172 G CA -0.502 44.586 45.100 -0.020 0.000 0.963 172 G HN -0.019 8.393 8.290 0.204 0.000 0.590 173 P HA -0.027 4.324 4.420 -0.114 0.000 0.269 173 P C -2.130 174.945 177.300 -0.375 0.000 1.252 173 P CA -0.128 62.855 63.100 -0.195 0.000 0.780 173 P CB -0.287 31.302 31.700 -0.184 0.000 0.829 174 Y N 2.565 122.721 120.300 -0.241 0.000 2.425 174 Y HA 0.141 4.615 4.550 -0.127 0.000 0.344 174 Y C -1.137 174.635 175.900 -0.213 0.000 0.969 174 Y CA -0.786 57.216 58.100 -0.163 0.000 1.052 174 Y CB 4.239 42.709 38.460 0.017 0.000 1.215 174 Y HN -0.310 8.013 8.280 -0.039 -0.067 0.451 175 Y N 2.765 123.305 120.300 0.400 0.000 2.385 175 Y HA 0.413 5.389 4.550 0.336 -0.223 0.341 175 Y C -1.091 174.986 175.900 0.296 0.000 0.965 175 Y CA -1.107 57.200 58.100 0.345 0.000 1.180 175 Y CB -0.127 38.554 38.460 0.368 0.000 1.139 175 Y HN 0.748 9.336 8.280 0.513 0.000 0.502 176 L N 0.999 122.410 121.223 0.313 0.000 2.334 176 L HA 0.948 5.701 4.340 0.278 -0.247 0.270 176 L C -0.867 176.112 176.870 0.181 0.000 1.018 176 L CA -2.263 52.712 54.840 0.226 0.000 0.811 176 L CB 2.259 44.396 42.059 0.131 0.000 1.271 176 L HN -0.234 8.140 8.230 0.240 0.000 0.443 177 L N -1.468 119.855 121.223 0.167 0.000 2.350 177 L HA 0.908 5.543 4.340 0.166 -0.196 0.260 177 L C -1.139 175.841 176.870 0.183 0.000 1.015 177 L CA -1.769 53.179 54.840 0.180 0.000 0.821 177 L CB 4.725 46.922 42.059 0.231 0.000 1.370 177 L HN -0.371 7.947 8.230 0.147 0.000 0.416 178 G N 0.286 109.222 108.800 0.227 0.000 2.706 178 G HA2 0.546 4.870 3.960 0.337 0.000 0.297 178 G HA3 0.546 4.678 3.960 0.288 0.000 0.297 178 G C -3.269 171.792 174.900 0.269 0.000 1.403 178 G CA -0.333 44.938 45.100 0.285 0.000 0.954 178 G HN 0.068 8.482 8.290 0.207 0.000 0.500 179 Y N 3.573 123.926 120.300 0.088 0.000 2.482 179 Y HA 0.764 5.545 4.550 0.049 -0.201 0.334 179 Y C -1.507 174.399 175.900 0.010 0.000 1.091 179 Y CA -2.095 56.036 58.100 0.051 0.000 1.027 179 Y CB 3.397 41.896 38.460 0.066 0.000 1.306 179 Y HN -0.510 7.893 8.280 0.204 0.000 0.446 180 S N 4.154 119.488 115.700 -0.610 0.000 4.157 180 S HA -0.458 3.709 4.470 -0.505 0.000 0.462 180 S C -0.410 173.927 174.600 -0.438 0.000 1.862 180 S CA 3.638 61.417 58.200 -0.703 0.000 4.246 180 S CB -0.881 61.638 63.200 -1.135 0.000 0.237 180 S HN 0.283 8.518 8.310 -0.125 0.000 0.454 181 L N 1.889 122.872 121.223 -0.401 0.000 2.585 181 L HA 0.204 4.358 4.340 -0.309 0.000 0.226 181 L C 0.891 177.566 176.870 -0.324 0.000 1.113 181 L CA -0.800 53.849 54.840 -0.319 0.000 0.876 181 L CB 0.385 42.271 42.059 -0.289 0.000 1.072 181 L HN -0.125 7.804 8.230 -0.461 0.024 0.468 182 G N -0.307 108.335 108.800 -0.263 0.000 2.507 182 G HA2 -0.436 3.110 3.960 -0.691 0.000 0.221 182 G HA3 -0.436 3.492 3.960 -0.006 0.029 0.221 182 G C 1.029 175.758 174.900 -0.286 0.000 1.119 182 G CA 2.824 47.756 45.100 -0.280 0.000 0.751 182 G HN -0.296 7.667 8.290 -0.224 0.192 0.574 183 G N 1.388 110.094 108.800 -0.157 0.000 2.545 183 G HA2 -0.412 3.505 3.960 -0.072 0.000 0.217 183 G HA3 -0.412 3.549 3.960 0.001 0.000 0.217 183 G C 0.998 175.830 174.900 -0.113 0.000 1.218 183 G CA 2.407 47.458 45.100 -0.083 0.000 0.787 183 G HN 0.039 8.218 8.290 -0.143 0.026 0.571 184 T N 3.169 117.651 114.554 -0.120 0.000 2.674 184 T HA -0.344 4.155 4.350 -0.024 -0.163 0.265 184 T C 2.248 176.839 174.700 -0.182 0.000 1.039 184 T CA 3.139 65.177 62.100 -0.103 0.000 1.150 184 T CB -0.193 68.610 68.868 -0.108 0.000 0.864 184 T HN -0.880 7.278 8.240 -0.137 0.000 0.427 185 L N 1.032 122.045 121.223 -0.350 0.000 1.971 185 L HA -0.531 3.654 4.340 -0.258 0.000 0.215 185 L C 2.391 179.037 176.870 -0.374 0.000 1.072 185 L CA 3.280 57.840 54.840 -0.467 0.000 0.758 185 L CB -0.879 40.605 42.059 -0.959 0.000 0.889 185 L HN -0.358 7.642 8.230 -0.384 0.000 0.433 186 A N -2.819 119.706 122.820 -0.491 0.000 1.917 186 A HA -0.499 3.934 4.320 0.188 0.000 0.219 186 A C 2.173 179.729 177.584 -0.046 0.000 1.182 186 A CA 3.025 55.030 52.037 -0.053 0.000 0.633 186 A CB -0.858 18.154 19.000 0.021 0.000 0.819 186 A HN 0.395 7.962 8.150 -0.776 0.117 0.448 187 Q N -0.821 118.935 119.800 -0.073 0.000 2.014 187 Q HA -0.402 3.935 4.340 -0.005 0.000 0.207 187 Q C 2.832 178.825 176.000 -0.011 0.000 0.993 187 Q CA 4.086 59.873 55.803 -0.026 0.000 0.850 187 Q CB -0.153 28.574 28.738 -0.019 0.000 0.916 187 Q HN -0.392 7.716 8.270 -0.119 0.091 0.417 188 G N -0.996 107.796 108.800 -0.012 0.000 2.511 188 G HA2 -0.348 3.634 3.960 0.035 0.000 0.216 188 G HA3 -0.348 3.620 3.960 0.013 0.000 0.216 188 G C 0.958 175.848 174.900 -0.016 0.000 1.218 188 G CA 1.674 46.779 45.100 0.008 0.000 0.788 188 G HN -0.340 7.930 8.290 -0.033 0.000 0.560 189 I N 1.822 122.381 120.570 -0.018 0.000 2.315 189 I HA -0.533 3.620 4.170 -0.028 0.000 0.251 189 I C 1.310 177.383 176.117 -0.073 0.000 1.125 189 I CA 2.832 64.115 61.300 -0.028 0.000 1.392 189 I CB -0.013 37.986 38.000 -0.002 0.000 1.065 189 I HN -0.239 7.962 8.210 -0.015 0.000 0.424 190 A N -0.372 122.397 122.820 -0.085 0.000 1.858 190 A HA -0.462 3.740 4.320 -0.197 0.000 0.216 190 A C 1.388 178.808 177.584 -0.273 0.000 1.190 190 A CA 3.234 55.161 52.037 -0.183 0.000 0.617 190 A CB -1.012 17.905 19.000 -0.138 0.000 0.827 190 A HN 0.134 8.049 8.150 -0.051 0.205 0.443 191 A N -1.899 120.826 122.820 -0.159 0.000 1.940 191 A HA -0.328 3.888 4.320 -0.173 0.000 0.219 191 A C 2.083 179.602 177.584 -0.109 0.000 1.176 191 A CA 2.915 54.881 52.037 -0.118 0.000 0.631 191 A CB -0.726 18.269 19.000 -0.009 0.000 0.814 191 A HN -0.234 7.865 8.150 -0.085 0.000 0.446 192 R N -2.511 117.938 120.500 -0.087 0.000 2.115 192 R HA -0.243 4.067 4.340 -0.049 0.000 0.230 192 R C 2.276 178.521 176.300 -0.092 0.000 1.111 192 R CA 1.978 58.037 56.100 -0.069 0.000 0.976 192 R CB -0.421 29.847 30.300 -0.052 0.000 0.870 192 R HN -0.371 7.756 8.270 -0.078 0.096 0.445 193 L N -0.779 120.364 121.223 -0.134 0.000 2.007 193 L HA -0.394 3.888 4.340 -0.096 0.000 0.205 193 L C 1.734 178.518 176.870 -0.143 0.000 1.073 193 L CA 3.349 58.108 54.840 -0.134 0.000 0.744 193 L CB -0.436 41.530 42.059 -0.156 0.000 0.898 193 L HN -0.388 7.623 8.230 -0.155 0.126 0.435 194 R N -0.822 119.529 120.500 -0.248 0.000 2.170 194 R HA -0.335 4.113 4.340 -0.140 -0.193 0.242 194 R C 1.719 177.975 176.300 -0.073 0.000 1.145 194 R CA 2.925 58.907 56.100 -0.197 0.000 0.984 194 R CB -0.056 30.028 30.300 -0.359 0.000 0.869 194 R HN -0.307 7.744 8.270 -0.365 0.000 0.455 195 A N -3.576 119.201 122.820 -0.072 0.000 2.095 195 A HA 0.058 4.369 4.320 -0.015 0.000 0.212 195 A C 1.275 178.837 177.584 -0.036 0.000 1.162 195 A CA 1.048 53.065 52.037 -0.034 0.000 0.753 195 A CB -0.261 18.725 19.000 -0.023 0.000 0.840 195 A HN -0.527 7.526 8.150 -0.103 0.035 0.468 196 R N -2.310 118.161 120.500 -0.049 0.000 2.148 196 R HA -0.142 4.176 4.340 -0.036 0.000 0.227 196 R C 0.980 177.256 176.300 -0.040 0.000 1.103 196 R CA 0.209 56.284 56.100 -0.042 0.000 0.983 196 R CB 0.303 30.575 30.300 -0.046 0.000 0.874 196 R HN -0.528 7.488 8.270 -0.065 0.216 0.451 197 G N -2.410 106.363 108.800 -0.046 0.000 2.151 197 G HA2 -0.285 3.635 3.960 -0.067 0.000 0.140 197 G HA3 -0.285 3.627 3.960 -0.081 0.000 0.140 197 G C -1.066 173.787 174.900 -0.079 0.000 1.020 197 G CA -0.315 44.743 45.100 -0.070 0.000 0.688 197 G HN -0.400 7.830 8.290 -0.046 0.032 0.500 198 E N -1.840 118.348 120.200 -0.020 0.000 2.355 198 E HA 0.403 4.808 4.350 0.092 0.000 0.261 198 E C -2.009 174.615 176.600 0.040 0.000 0.943 198 E CA -2.246 54.187 56.400 0.055 0.000 0.806 198 E CB 2.604 32.361 29.700 0.095 0.000 1.286 198 E HN -0.570 7.771 8.360 -0.032 0.000 0.424 199 Q N -1.414 118.438 119.800 0.087 0.000 2.321 199 Q HA 0.293 4.674 4.340 0.069 0.000 0.270 199 Q C -1.338 174.709 176.000 0.078 0.000 1.032 199 Q CA -1.186 54.668 55.803 0.084 0.000 0.784 199 Q CB 2.777 31.579 28.738 0.107 0.000 1.264 199 Q HN 0.301 8.653 8.270 0.137 0.000 0.448 200 V N -1.130 118.827 119.914 0.072 0.000 2.461 200 V HA 0.089 4.248 4.120 0.065 0.000 0.275 200 V C -1.203 174.963 176.094 0.121 0.000 1.047 200 V CA -0.961 61.385 62.300 0.077 0.000 0.955 200 V CB 0.211 32.055 31.823 0.035 0.000 0.988 200 V HN 0.204 8.437 8.190 0.071 0.000 0.471 201 A N 8.732 131.575 122.820 0.037 0.000 1.840 201 A HA -0.118 4.245 4.320 0.071 0.000 0.214 201 A C -0.469 177.264 177.584 0.248 0.000 1.198 201 A CA 1.942 53.991 52.037 0.021 0.000 0.608 201 A CB 1.027 19.814 19.000 -0.355 0.000 0.839 201 A HN 0.217 8.430 8.150 -0.014 -0.072 0.443 202 F N -3.546 116.450 119.950 0.076 0.000 2.688 202 F HA 0.290 5.171 4.527 0.199 -0.234 0.332 202 F C -2.626 173.327 175.800 0.255 0.000 1.131 202 F CA -0.123 58.005 58.000 0.213 0.000 1.113 202 F CB 2.783 41.966 39.000 0.305 0.000 1.359 202 F HN -0.823 7.559 8.300 0.137 0.000 0.551 203 L N 5.758 126.662 121.223 -0.531 0.000 2.318 203 L HA 0.662 5.083 4.340 -0.207 -0.206 0.277 203 L C -0.074 176.407 176.870 -0.649 0.000 1.008 203 L CA -1.178 53.421 54.840 -0.401 0.000 0.846 203 L CB 0.561 42.559 42.059 -0.103 0.000 1.220 203 L HN -0.219 7.761 8.230 -0.417 0.000 0.423 204 G N 3.023 111.488 108.800 -0.559 0.000 2.370 204 G HA2 0.434 4.203 3.960 -0.317 0.000 0.272 204 G HA3 0.434 4.409 3.960 0.025 0.000 0.272 204 G C -2.398 172.511 174.900 0.015 0.000 1.208 204 G CA -0.409 44.557 45.100 -0.225 0.000 0.856 204 G HN 0.393 8.480 8.290 -0.339 0.000 0.500 205 L N 4.230 125.485 121.223 0.052 0.000 2.441 205 L HA 0.481 5.087 4.340 0.134 -0.186 0.270 205 L C -1.390 175.565 176.870 0.141 0.000 0.973 205 L CA -1.009 53.888 54.840 0.095 0.000 0.842 205 L CB 2.182 44.262 42.059 0.034 0.000 1.239 205 L HN 0.204 8.459 8.230 0.042 0.000 0.406 206 L N -0.129 121.205 121.223 0.184 0.000 2.333 206 L HA 0.545 5.041 4.340 0.261 0.000 0.269 206 L C -1.697 175.287 176.870 0.190 0.000 1.010 206 L CA -1.807 53.166 54.840 0.221 0.000 0.818 206 L CB 2.249 44.423 42.059 0.192 0.000 1.306 206 L HN -0.341 8.002 8.230 0.189 0.000 0.430 207 D N -1.158 119.358 120.400 0.194 0.000 1.834 207 D HA 0.097 4.861 4.640 0.205 0.000 0.070 207 D C -1.483 174.923 176.300 0.178 0.000 1.470 207 D CA 0.612 54.707 54.000 0.158 0.000 0.696 207 D CB 0.665 41.485 40.800 0.033 0.000 3.186 207 D HN -0.128 8.384 8.370 0.236 0.000 0.193 208 T N 0.174 114.824 114.554 0.160 0.000 4.242 208 T HA 0.191 4.732 4.350 0.195 -0.075 0.422 208 T C -2.359 172.448 174.700 0.178 0.000 1.136 208 T CA 0.185 62.384 62.100 0.165 0.000 1.071 208 T CB 1.013 69.972 68.868 0.152 0.000 1.260 208 T HN -0.198 8.136 8.240 0.155 0.000 0.453 209 W N 7.197 128.481 121.300 -0.028 0.000 1.707 209 W HA 0.341 4.950 4.660 -0.084 0.000 0.307 209 W C -2.729 173.722 176.519 -0.114 0.000 1.032 209 W CA -1.869 55.410 57.345 -0.110 0.000 0.860 209 W CB 0.517 29.842 29.460 -0.225 0.000 0.776 209 W HN 0.204 8.522 8.180 0.229 0.000 0.269 210 P HA 0.292 4.795 4.420 0.137 0.000 0.273 210 P C -2.175 175.263 177.300 0.229 0.000 1.250 210 P CA -1.517 61.686 63.100 0.172 0.000 0.793 210 P CB 0.497 32.273 31.700 0.127 0.000 1.011 211 P HA -0.005 4.678 4.420 0.438 0.000 0.266 211 P C -1.793 175.684 177.300 0.295 0.000 1.419 211 P CA 0.474 63.753 63.100 0.300 0.000 1.112 211 P CB -0.702 31.126 31.700 0.215 0.000 1.438 212 E N 3.059 123.499 120.200 0.400 0.000 2.512 212 E HA 0.148 4.638 4.350 0.232 0.000 0.281 212 E C -1.350 175.459 176.600 0.348 0.000 1.098 212 E CA 0.935 57.508 56.400 0.287 0.000 2.055 212 E CB 1.838 31.647 29.700 0.182 0.000 2.653 212 E HN 0.038 8.750 8.360 0.587 0.000 1.080 213 T N -0.678 114.093 114.554 0.362 0.000 2.653 213 T HA 0.228 4.904 4.350 0.543 0.000 0.306 213 T C -1.650 173.189 174.700 0.232 0.000 1.426 213 T CA -1.014 61.306 62.100 0.366 0.000 1.008 213 T CB 1.585 70.559 68.868 0.177 0.000 1.692 213 T HN -0.213 8.201 8.240 0.290 0.000 0.483 214 Q N 0.123 119.989 119.800 0.110 0.000 2.967 214 Q HA -0.078 3.885 4.340 -0.628 0.000 0.201 214 Q C -0.749 174.835 176.000 -0.693 0.000 1.148 214 Q CA 0.663 56.245 55.803 -0.367 0.000 1.177 214 Q CB 0.546 29.195 28.738 -0.150 0.000 1.323 214 Q HN 0.056 8.440 8.270 0.189 0.000 0.676 215 N N -1.133 117.013 118.700 -0.923 0.000 2.495 215 N HA -0.026 4.401 4.740 -0.522 0.000 0.294 215 N C 0.887 176.185 175.510 -0.353 0.000 1.276 215 N CA -0.417 52.233 53.050 -0.667 0.000 0.973 215 N CB 0.423 38.400 38.487 -0.850 0.000 1.143 215 N HN 0.083 7.821 8.380 -1.068 0.000 0.589 216 W N -5.009 116.155 121.300 -0.228 0.000 3.047 216 W HA -0.002 4.583 4.660 -0.124 0.000 0.250 216 W C -0.064 176.379 176.519 -0.127 0.000 1.314 216 W CA 0.721 57.982 57.345 -0.141 0.000 1.540 216 W CB -0.876 28.526 29.460 -0.098 0.000 1.127 216 W HN 0.233 8.210 8.180 -0.337 0.000 0.679 217 Q N -0.125 119.203 119.800 -0.787 0.000 2.364 217 Q HA -0.295 3.584 4.340 -0.767 0.000 0.209 217 Q C 1.720 177.548 176.000 -0.286 0.000 0.977 217 Q CA 2.427 57.812 55.803 -0.696 0.000 0.885 217 Q CB -1.593 26.680 28.738 -0.774 0.000 0.941 217 Q HN -0.693 7.070 8.270 -1.000 -0.094 0.464 218 E N -1.591 118.487 120.200 -0.204 0.000 2.219 218 E HA -0.259 4.025 4.350 -0.110 0.000 0.198 218 E C 0.238 176.813 176.600 -0.042 0.000 0.998 218 E CA 2.085 58.423 56.400 -0.103 0.000 0.818 218 E CB 0.205 29.862 29.700 -0.072 0.000 0.741 218 E HN -0.726 7.427 8.360 -0.242 0.062 0.477 219 K N -1.776 118.624 120.400 0.000 0.000 2.832 219 K HA 0.196 4.525 4.320 0.016 0.000 0.243 219 K C -0.657 176.004 176.600 0.103 0.000 1.117 219 K CA -0.509 55.801 56.287 0.038 0.000 1.068 219 K CB 0.192 32.717 32.500 0.041 0.000 1.286 219 K HN -0.674 7.542 8.250 0.013 0.041 0.553 220 E N 4.936 125.190 120.200 0.089 0.000 2.114 220 E HA -0.424 4.124 4.350 0.329 0.000 0.199 220 E C 1.401 178.082 176.600 0.135 0.000 1.008 220 E CA 3.527 60.028 56.400 0.168 0.000 0.810 220 E CB -0.489 29.267 29.700 0.094 0.000 0.739 220 E HN -0.304 8.075 8.360 0.031 0.000 0.456 221 A N 0.446 123.310 122.820 0.073 0.000 1.873 221 A HA -0.289 4.055 4.320 0.040 0.000 0.218 221 A C 1.120 178.732 177.584 0.046 0.000 1.193 221 A CA 2.440 54.505 52.037 0.047 0.000 0.629 221 A CB -0.713 18.305 19.000 0.029 0.000 0.826 221 A HN 0.278 8.453 8.150 0.057 0.009 0.447 222 N N -2.062 116.672 118.700 0.056 0.000 2.380 222 N HA -0.002 4.750 4.740 0.021 0.000 0.255 222 N C -0.621 174.930 175.510 0.069 0.000 1.158 222 N CA -0.452 52.624 53.050 0.042 0.000 0.878 222 N CB 0.401 38.907 38.487 0.032 0.000 1.138 222 N HN -0.531 7.888 8.380 0.064 0.000 0.509 223 G N -2.941 105.931 108.800 0.121 0.000 2.414 223 G HA2 0.146 4.159 3.960 0.089 0.000 0.198 223 G HA3 0.146 4.664 3.960 0.553 -0.226 0.198 223 G C -0.932 173.904 174.900 -0.108 0.000 1.399 223 G CA 0.021 45.247 45.100 0.210 0.000 0.618 223 G HN -0.388 7.790 8.290 0.121 0.184 1.054 224 L N 2.548 123.801 121.223 0.050 0.000 2.704 224 L HA -0.272 3.866 4.340 -0.337 0.000 0.279 224 L C -0.651 176.084 176.870 -0.225 0.000 1.147 224 L CA 0.948 55.728 54.840 -0.101 0.000 0.994 224 L CB -0.476 41.648 42.059 0.109 0.000 1.332 224 L HN -0.067 8.151 8.230 0.182 0.121 0.471 225 D N 5.800 125.944 120.400 -0.426 0.000 2.313 225 D HA 0.256 4.772 4.640 -0.206 0.000 0.247 225 D C -0.280 175.918 176.300 -0.169 0.000 1.094 225 D CA -2.059 51.772 54.000 -0.283 0.000 0.925 225 D CB 1.416 42.004 40.800 -0.353 0.000 1.188 225 D HN -0.515 7.395 8.370 -0.766 0.000 0.430 226 P HA 0.047 4.442 4.420 -0.041 0.000 0.234 226 P C -1.018 176.242 177.300 -0.067 0.000 1.167 226 P CA 1.530 64.591 63.100 -0.065 0.000 0.763 226 P CB 0.249 31.917 31.700 -0.053 0.000 0.835 227 E N -2.114 118.027 120.200 -0.099 0.000 2.094 227 E HA -0.129 4.176 4.350 -0.075 0.000 0.193 227 E C 1.362 177.904 176.600 -0.097 0.000 0.950 227 E CA 1.963 58.306 56.400 -0.094 0.000 0.842 227 E CB -0.095 29.542 29.700 -0.104 0.000 0.816 227 E HN -0.131 8.063 8.360 -0.133 0.086 0.465 228 V N 1.217 121.055 119.914 -0.128 0.000 2.282 228 V HA -0.292 3.908 4.120 -0.107 -0.144 0.249 228 V C 1.941 178.028 176.094 -0.010 0.000 1.057 228 V CA 3.254 65.503 62.300 -0.086 0.000 1.032 228 V CB -0.482 31.279 31.823 -0.103 0.000 0.645 228 V HN -0.172 7.910 8.190 -0.179 0.000 0.447 229 L N -3.915 117.322 121.223 0.023 0.000 2.156 229 L HA -0.154 4.303 4.340 0.195 0.000 0.208 229 L C 1.542 178.423 176.870 0.019 0.000 1.095 229 L CA 3.575 58.486 54.840 0.118 0.000 0.770 229 L CB -1.815 40.353 42.059 0.181 0.000 0.914 229 L HN -0.731 7.482 8.230 -0.028 0.000 0.439 230 A N -1.877 120.932 122.820 -0.019 0.000 2.014 230 A HA -0.274 4.028 4.320 -0.030 0.000 0.218 230 A C 2.089 179.622 177.584 -0.084 0.000 1.163 230 A CA 2.513 54.523 52.037 -0.045 0.000 0.652 230 A CB -0.686 18.290 19.000 -0.041 0.000 0.808 230 A HN 0.213 8.243 8.150 -0.025 0.105 0.449 231 E N -0.842 119.300 120.200 -0.097 0.000 2.033 231 E HA -0.300 3.989 4.350 -0.102 0.000 0.189 231 E C 2.327 178.839 176.600 -0.146 0.000 0.979 231 E CA 3.288 59.618 56.400 -0.117 0.000 0.802 231 E CB 0.314 29.934 29.700 -0.133 0.000 0.763 231 E HN -0.127 8.050 8.360 -0.086 0.131 0.449 232 I N -3.996 116.474 120.570 -0.166 0.000 2.264 232 I HA -0.425 3.658 4.170 -0.145 0.000 0.248 232 I C 1.712 177.625 176.117 -0.340 0.000 1.111 232 I CA 3.442 64.621 61.300 -0.202 0.000 1.382 232 I CB -0.410 37.507 38.000 -0.140 0.000 1.060 232 I HN -0.254 7.875 8.210 -0.135 0.000 0.418 233 N N -1.378 117.059 118.700 -0.438 0.000 2.354 233 N HA -0.249 4.111 4.740 -0.634 0.000 0.179 233 N C 2.047 177.432 175.510 -0.208 0.000 1.021 233 N CA 2.660 55.431 53.050 -0.465 0.000 0.887 233 N CB 0.177 38.436 38.487 -0.380 0.000 0.974 233 N HN -0.312 7.846 8.380 -0.344 0.016 0.437 234 R N -0.480 119.930 120.500 -0.149 0.000 2.090 234 R HA -0.190 4.100 4.340 -0.083 0.000 0.228 234 R C 2.440 178.702 176.300 -0.063 0.000 1.110 234 R CA 3.044 59.090 56.100 -0.091 0.000 0.973 234 R CB -0.034 30.220 30.300 -0.077 0.000 0.869 234 R HN -0.517 7.525 8.270 -0.160 0.131 0.440 235 E N -0.810 119.346 120.200 -0.072 0.000 2.158 235 E HA -0.148 4.199 4.350 -0.005 0.000 0.191 235 E C 2.434 179.054 176.600 0.034 0.000 0.982 235 E CA 2.647 59.029 56.400 -0.030 0.000 0.823 235 E CB -0.185 29.474 29.700 -0.069 0.000 0.766 235 E HN 0.025 8.320 8.360 -0.108 0.000 0.468 236 R N -1.559 118.934 120.500 -0.013 0.000 2.093 236 R HA -0.219 4.216 4.340 0.159 0.000 0.224 236 R C 2.195 178.552 176.300 0.094 0.000 1.101 236 R CA 3.219 59.353 56.100 0.057 0.000 0.979 236 R CB -0.032 30.238 30.300 -0.051 0.000 0.877 236 R HN -0.334 7.880 8.270 -0.092 0.000 0.441 237 E N -1.307 118.897 120.200 0.006 0.000 2.285 237 E HA -0.188 4.160 4.350 -0.003 0.000 0.194 237 E C 0.775 177.370 176.600 -0.009 0.000 0.997 237 E CA 2.229 58.612 56.400 -0.029 0.000 0.845 237 E CB -0.101 29.533 29.700 -0.110 0.000 0.782 237 E HN -0.195 8.138 8.360 -0.046 0.000 0.491 238 A N -2.343 120.499 122.820 0.036 0.000 2.147 238 A HA 0.040 4.370 4.320 0.017 0.000 0.211 238 A C 0.848 178.514 177.584 0.137 0.000 1.160 238 A CA 1.968 54.037 52.037 0.054 0.000 0.781 238 A CB -0.128 18.894 19.000 0.037 0.000 0.842 238 A HN -0.472 7.573 8.150 0.037 0.127 0.475 239 F N -0.431 119.538 119.950 0.031 0.000 2.315 239 F HA 0.052 4.607 4.527 0.047 0.000 0.284 239 F C 0.111 176.012 175.800 0.168 0.000 1.049 239 F CA 2.414 60.449 58.000 0.059 0.000 1.323 239 F CB 1.160 40.170 39.000 0.017 0.000 1.113 239 F HN -0.672 7.633 8.300 0.262 0.152 0.544 240 L N -1.419 119.861 121.223 0.095 0.000 2.046 240 L HA -0.075 4.368 4.340 0.171 0.000 0.208 240 L C 0.738 177.681 176.870 0.123 0.000 1.077 240 L CA 2.420 57.324 54.840 0.107 0.000 0.747 240 L CB 0.066 42.217 42.059 0.154 0.000 0.896 240 L HN -0.174 8.129 8.230 0.298 0.105 0.432 241 A N -2.900 120.028 122.820 0.180 0.000 1.855 241 A HA -0.162 4.396 4.320 0.397 0.000 0.213 241 A C -0.326 177.328 177.584 0.117 0.000 1.195 241 A CA 1.496 53.675 52.037 0.237 0.000 0.610 241 A CB 0.633 19.690 19.000 0.094 0.000 0.837 241 A HN -0.729 7.509 8.150 0.146 0.000 0.444 242 A N -3.253 119.603 122.820 0.060 0.000 2.798 242 A HA -0.389 4.089 4.320 0.043 -0.132 0.282 242 A C -0.513 177.100 177.584 0.049 0.000 1.464 242 A CA 0.537 52.600 52.037 0.043 0.000 0.844 242 A CB -2.162 16.852 19.000 0.023 0.000 1.006 242 A HN 0.098 8.281 8.150 0.056 0.000 0.577 243 Q N -6.265 113.563 119.800 0.048 0.000 2.461 243 Q HA -0.523 3.841 4.340 0.040 0.000 0.273 243 Q C 0.082 176.117 176.000 0.059 0.000 1.163 243 Q CA 1.678 57.507 55.803 0.044 0.000 0.929 243 Q CB -1.842 26.911 28.738 0.026 0.000 1.334 243 Q HN 0.205 8.460 8.270 0.042 0.040 0.499 244 Q N 0.179 120.027 119.800 0.080 0.000 1.990 244 Q HA -0.075 4.298 4.340 0.055 0.000 0.195 244 Q C 1.018 177.064 176.000 0.078 0.000 0.977 244 Q CA 1.384 57.229 55.803 0.071 0.000 0.828 244 Q CB 1.481 30.261 28.738 0.070 0.000 0.896 244 Q HN -0.091 8.095 8.270 0.097 0.142 0.447 245 G N -1.157 107.709 108.800 0.110 0.000 3.030 245 G HA2 -0.130 3.926 3.960 0.160 0.000 0.233 245 G HA3 -0.130 3.880 3.960 0.084 0.000 0.233 245 G C -0.941 173.992 174.900 0.055 0.000 1.091 245 G CA -0.136 45.026 45.100 0.104 0.000 1.113 245 G HN 0.086 8.460 8.290 0.140 0.000 0.556 246 S N -0.559 115.159 115.700 0.029 0.000 2.575 246 S HA 0.084 4.549 4.470 -0.008 0.000 0.230 246 S C -0.373 174.180 174.600 -0.079 0.000 1.062 246 S CA 0.773 58.961 58.200 -0.019 0.000 0.913 246 S CB 1.158 64.347 63.200 -0.018 0.000 0.837 246 S HN 0.008 8.348 8.310 0.050 0.000 0.487 247 T N 0.341 114.787 114.554 -0.179 0.000 2.847 247 T HA 0.303 4.545 4.350 -0.181 0.000 0.291 247 T C -0.527 173.952 174.700 -0.367 0.000 0.998 247 T CA -1.255 60.660 62.100 -0.308 0.000 0.967 247 T CB 1.854 70.446 68.868 -0.460 0.000 0.954 247 T HN -0.741 7.396 8.240 -0.172 0.000 0.441 248 S N 5.327 120.939 115.700 -0.147 0.000 2.444 248 S HA -0.250 4.264 4.470 0.074 0.000 0.225 248 S C 0.206 174.828 174.600 0.037 0.000 1.042 248 S CA 2.488 60.682 58.200 -0.009 0.000 1.132 248 S CB 0.327 63.533 63.200 0.011 0.000 1.099 248 S HN 0.492 8.737 8.310 -0.109 0.000 0.417 249 T N -2.650 111.895 114.554 -0.014 0.000 3.253 249 T HA 0.186 4.722 4.350 0.310 0.000 0.299 249 T C -0.266 174.433 174.700 -0.002 0.000 0.927 249 T CA 0.176 62.336 62.100 0.099 0.000 0.926 249 T CB 0.809 69.764 68.868 0.145 0.000 1.183 249 T HN -0.427 7.786 8.240 -0.045 0.000 0.557 250 E N 2.856 122.991 120.200 -0.108 0.000 2.001 250 E HA -0.253 4.090 4.350 -0.011 0.000 0.193 250 E C 1.831 178.388 176.600 -0.072 0.000 0.994 250 E CA 3.305 59.666 56.400 -0.065 0.000 0.815 250 E CB -0.196 29.467 29.700 -0.062 0.000 0.770 250 E HN 0.267 8.529 8.360 -0.163 0.000 0.453 251 L N -2.651 118.459 121.223 -0.189 0.000 2.046 251 L HA -0.250 4.085 4.340 -0.008 0.000 0.208 251 L C 1.804 178.669 176.870 -0.009 0.000 1.077 251 L CA 2.648 57.416 54.840 -0.120 0.000 0.747 251 L CB -0.372 41.572 42.059 -0.192 0.000 0.896 251 L HN -0.092 7.960 8.230 -0.296 0.000 0.432 252 F N -5.512 114.459 119.950 0.033 0.000 2.161 252 F HA -0.263 4.280 4.527 0.026 0.000 0.300 252 F C 2.616 178.442 175.800 0.043 0.000 1.089 252 F CA 1.759 59.778 58.000 0.033 0.000 1.282 252 F CB -1.610 37.410 39.000 0.032 0.000 1.010 252 F HN -0.003 7.938 8.300 -0.599 0.000 0.485 253 T N 1.074 115.750 114.554 0.202 0.000 2.904 253 T HA -0.213 4.326 4.350 0.138 -0.106 0.267 253 T C 1.979 176.735 174.700 0.094 0.000 1.059 253 T CA 4.578 66.755 62.100 0.129 0.000 1.137 253 T CB -0.180 68.740 68.868 0.087 0.000 0.879 253 T HN -0.461 7.774 8.240 0.156 0.098 0.467 254 T N 1.726 116.328 114.554 0.080 0.000 2.812 254 T HA -0.236 4.142 4.350 0.047 0.000 0.264 254 T C 1.908 176.647 174.700 0.064 0.000 1.042 254 T CA 3.892 66.027 62.100 0.058 0.000 1.140 254 T CB 0.060 68.960 68.868 0.053 0.000 0.870 254 T HN -0.423 7.738 8.240 0.077 0.125 0.445 255 I N 1.844 122.465 120.570 0.085 0.000 2.163 255 I HA -0.428 3.768 4.170 0.045 0.000 0.240 255 I C 1.722 177.980 176.117 0.235 0.000 1.081 255 I CA 2.445 63.805 61.300 0.101 0.000 1.353 255 I CB -0.969 37.083 38.000 0.087 0.000 1.054 255 I HN 0.346 8.616 8.210 0.099 0.000 0.407 256 E N 0.489 120.841 120.200 0.254 0.000 2.077 256 E HA -0.224 4.570 4.350 0.739 0.000 0.193 256 E C 2.949 179.600 176.600 0.085 0.000 0.989 256 E CA 2.697 59.312 56.400 0.359 0.000 0.800 256 E CB -1.109 28.736 29.700 0.243 0.000 0.746 256 E HN -0.044 8.441 8.360 0.209 0.000 0.452 257 G N -2.062 106.759 108.800 0.035 0.000 2.464 257 G HA2 -0.255 3.631 3.960 -0.124 0.000 0.217 257 G HA3 -0.255 3.693 3.960 -0.021 0.000 0.217 257 G C 1.071 175.926 174.900 -0.074 0.000 1.138 257 G CA 1.015 46.081 45.100 -0.056 0.000 0.793 257 G HN -0.233 8.097 8.290 0.081 0.009 0.539 258 N N 3.565 122.266 118.700 0.001 0.000 2.080 258 N HA -0.243 4.486 4.740 -0.019 0.000 0.189 258 N C 1.376 176.889 175.510 0.006 0.000 1.036 258 N CA 3.483 56.537 53.050 0.007 0.000 0.846 258 N CB 0.259 38.766 38.487 0.033 0.000 1.015 258 N HN -0.100 8.089 8.380 0.056 0.225 0.423 259 Y N -0.885 119.406 120.300 -0.014 0.000 2.314 259 Y HA -0.202 4.332 4.550 -0.027 0.000 0.293 259 Y C 0.975 176.875 175.900 0.001 0.000 1.129 259 Y CA 2.367 60.462 58.100 -0.010 0.000 1.201 259 Y CB -0.705 37.760 38.460 0.008 0.000 0.999 259 Y HN -0.096 8.347 8.280 0.272 0.000 0.541 260 A N 0.498 122.727 122.820 -0.986 0.000 1.858 260 A HA -0.384 3.373 4.320 -0.939 0.000 0.216 260 A C 2.042 179.436 177.584 -0.316 0.000 1.190 260 A CA 3.023 54.584 52.037 -0.794 0.000 0.617 260 A CB -1.024 17.595 19.000 -0.636 0.000 0.827 260 A HN -0.315 7.300 8.150 -0.858 0.020 0.443 261 D N -1.897 118.375 120.400 -0.214 0.000 2.149 261 D HA -0.237 4.336 4.640 -0.112 0.000 0.201 261 D C 2.105 178.345 176.300 -0.100 0.000 0.972 261 D CA 3.384 57.310 54.000 -0.123 0.000 0.835 261 D CB 0.036 40.782 40.800 -0.090 0.000 0.966 261 D HN -0.433 7.803 8.370 -0.224 0.000 0.476 262 A N -0.050 122.713 122.820 -0.095 0.000 1.898 262 A HA -0.240 4.028 4.320 -0.086 0.000 0.216 262 A C 1.688 179.223 177.584 -0.082 0.000 1.181 262 A CA 3.001 54.989 52.037 -0.080 0.000 0.620 262 A CB -0.269 18.695 19.000 -0.060 0.000 0.819 262 A HN -0.376 7.711 8.150 -0.105 0.000 0.442 263 V N -2.310 117.574 119.914 -0.050 0.000 3.217 263 V HA -0.226 3.862 4.120 -0.053 0.000 0.264 263 V C 0.490 176.572 176.094 -0.019 0.000 1.135 263 V CA 1.789 64.085 62.300 -0.007 0.000 1.142 263 V CB 0.279 32.186 31.823 0.140 0.000 0.754 263 V HN 0.043 8.082 8.190 -0.064 0.113 0.484 264 R N -2.460 118.009 120.500 -0.052 0.000 2.282 264 R HA 0.034 4.371 4.340 -0.005 0.000 0.195 264 R C 0.486 176.753 176.300 -0.054 0.000 0.909 264 R CA 1.131 57.208 56.100 -0.039 0.000 1.039 264 R CB 0.603 30.872 30.300 -0.051 0.000 1.015 264 R HN -0.527 7.517 8.270 -0.078 0.180 0.513 265 L N -4.753 116.427 121.223 -0.073 0.000 2.556 265 L HA 0.443 4.748 4.340 -0.058 0.000 0.226 265 L C 0.755 177.571 176.870 -0.089 0.000 1.089 265 L CA 0.948 55.745 54.840 -0.072 0.000 0.864 265 L CB 0.607 42.624 42.059 -0.070 0.000 1.067 265 L HN -0.267 7.804 8.230 -0.080 0.110 0.477 266 L N -3.868 117.281 121.223 -0.122 0.000 2.450 266 L HA -0.193 4.061 4.340 -0.145 0.000 0.224 266 L C 1.064 177.837 176.870 -0.162 0.000 1.149 266 L CA 2.215 56.956 54.840 -0.164 0.000 0.816 266 L CB -1.665 40.252 42.059 -0.238 0.000 0.932 266 L HN -0.751 7.407 8.230 -0.120 0.000 0.449 267 T N -4.620 109.855 114.554 -0.132 0.000 2.978 267 T HA -0.088 4.308 4.350 -0.149 -0.135 0.262 267 T C 0.855 175.521 174.700 -0.057 0.000 1.063 267 T CA 2.753 64.788 62.100 -0.108 0.000 1.140 267 T CB 0.144 68.967 68.868 -0.075 0.000 0.886 267 T HN -0.156 7.950 8.240 -0.112 0.067 0.470 268 T N 2.826 117.356 114.554 -0.040 0.000 3.054 268 T HA -0.096 4.258 4.350 0.006 0.000 0.259 268 T C -0.102 174.611 174.700 0.023 0.000 1.092 268 T CA 1.606 63.702 62.100 -0.007 0.000 1.121 268 T CB 0.401 69.260 68.868 -0.015 0.000 0.912 268 T HN -0.555 7.547 8.240 -0.054 0.106 0.489 269 A N 2.659 125.474 122.820 -0.008 0.000 2.504 269 A HA -0.215 4.096 4.320 -0.016 0.000 0.242 269 A C -0.432 177.236 177.584 0.139 0.000 1.100 269 A CA 0.657 52.701 52.037 0.011 0.000 0.786 269 A CB 0.390 19.362 19.000 -0.046 0.000 1.050 269 A HN -0.593 7.499 8.150 -0.043 0.032 0.512 270 H N -0.189 118.855 119.070 -0.043 0.000 2.495 270 H HA 0.050 4.598 4.556 -0.014 0.000 0.350 270 H C -0.450 174.870 175.328 -0.013 0.000 1.202 270 H CA -0.743 55.292 56.048 -0.022 0.000 1.322 270 H CB 1.399 31.151 29.762 -0.016 0.000 1.544 270 H HN 0.003 8.351 8.280 0.115 0.000 0.565 271 S N 2.080 117.811 115.700 0.051 0.000 2.461 271 S HA 0.122 4.631 4.470 0.065 0.000 0.216 271 S C -1.616 173.012 174.600 0.048 0.000 1.201 271 S CA -0.336 57.901 58.200 0.062 0.000 1.171 271 S CB 0.711 63.975 63.200 0.108 0.000 1.169 271 S HN 0.242 8.513 8.310 -0.066 0.000 0.456 272 V N 4.658 124.601 119.914 0.050 0.000 2.349 272 V HA 0.277 4.432 4.120 0.057 0.000 0.284 272 V C -2.212 173.928 176.094 0.077 0.000 1.014 272 V CA -3.578 58.756 62.300 0.057 0.000 0.826 272 V CB 2.252 34.105 31.823 0.052 0.000 1.009 272 V HN -0.348 7.872 8.190 0.051 0.000 0.431 273 P HA -0.001 4.456 4.420 0.062 0.000 0.272 273 P C -1.714 175.702 177.300 0.193 0.000 1.230 273 P CA -0.526 62.640 63.100 0.110 0.000 0.788 273 P CB 0.873 32.664 31.700 0.152 0.000 0.949 274 F N 0.501 120.459 119.950 0.013 0.000 2.522 274 F HA 0.220 4.760 4.527 0.022 0.000 0.324 274 F C -0.339 175.483 175.800 0.036 0.000 1.077 274 F CA -1.628 56.385 58.000 0.021 0.000 0.944 274 F CB 2.810 41.818 39.000 0.013 0.000 1.175 274 F HN -0.063 8.366 8.300 0.215 0.000 0.468 275 D N 6.308 126.224 120.400 -0.806 0.000 3.134 275 D HA 0.133 4.630 4.640 -0.340 -0.061 0.248 275 D C -0.607 175.123 176.300 -0.950 0.000 1.273 275 D CA -0.219 53.392 54.000 -0.648 0.000 0.904 275 D CB -0.884 39.696 40.800 -0.366 0.000 1.089 275 D HN 0.267 8.164 8.370 -0.788 0.000 0.478 276 G N -2.066 106.148 108.800 -0.977 0.000 3.414 276 G HA2 0.238 3.966 3.960 -0.388 0.000 0.189 276 G HA3 0.238 4.071 3.960 -0.212 0.000 0.189 276 G C -2.257 172.622 174.900 -0.035 0.000 1.329 276 G CA -0.927 43.908 45.100 -0.442 0.000 0.851 276 G HN -0.695 7.059 8.290 -0.752 0.086 0.671 277 K N 0.834 121.332 120.400 0.163 0.000 2.616 277 K HA 0.807 5.497 4.320 0.195 -0.253 0.241 277 K C -2.167 174.647 176.600 0.356 0.000 0.961 277 K CA -1.077 55.364 56.287 0.257 0.000 0.942 277 K CB 1.921 34.600 32.500 0.298 0.000 1.153 277 K HN 0.102 8.506 8.250 0.256 0.000 0.452 278 A N 3.872 126.846 122.820 0.257 0.000 2.527 278 A HA 0.435 4.636 4.320 -0.200 0.000 0.293 278 A C -2.758 174.961 177.584 0.224 0.000 1.117 278 A CA -1.167 50.921 52.037 0.085 0.000 0.723 278 A CB 3.696 22.683 19.000 -0.021 0.000 1.313 278 A HN -0.014 8.262 8.150 0.210 0.000 0.411 279 T N 1.227 115.880 114.554 0.165 0.000 2.855 279 T HA 0.262 4.778 4.350 0.277 0.000 0.281 279 T C -1.802 172.976 174.700 0.129 0.000 1.007 279 T CA 0.005 62.267 62.100 0.270 0.000 1.009 279 T CB 2.101 71.255 68.868 0.477 0.000 0.983 279 T HN -0.049 8.109 8.240 -0.135 0.000 0.455 280 L N 7.017 128.300 121.223 0.099 0.000 2.406 280 L HA 0.788 5.443 4.340 0.089 -0.261 0.270 280 L C -2.458 174.468 176.870 0.092 0.000 0.982 280 L CA -1.031 53.842 54.840 0.055 0.000 0.843 280 L CB 3.014 45.013 42.059 -0.099 0.000 1.225 280 L HN -0.165 8.132 8.230 0.110 0.000 0.412 281 F N 6.687 126.699 119.950 0.103 0.000 2.394 281 F HA 0.166 4.801 4.527 0.180 0.000 0.340 281 F C -1.153 174.716 175.800 0.115 0.000 1.105 281 F CA -0.200 57.875 58.000 0.126 0.000 1.124 281 F CB 2.498 41.551 39.000 0.089 0.000 1.145 281 F HN -0.347 8.157 8.300 0.341 0.000 0.505 282 V N 3.704 123.807 119.914 0.315 0.000 2.904 282 V HA 0.046 4.297 4.120 0.218 0.000 0.305 282 V C -1.870 174.383 176.094 0.265 0.000 1.067 282 V CA -1.918 60.526 62.300 0.240 0.000 1.044 282 V CB 2.643 34.558 31.823 0.153 0.000 1.050 282 V HN -0.040 8.291 8.190 0.235 0.000 0.475 283 A N 6.365 129.302 122.820 0.195 0.000 2.937 283 A HA 0.367 4.856 4.320 0.164 -0.071 0.338 283 A C 0.341 177.998 177.584 0.122 0.000 1.273 283 A CA -1.748 50.386 52.037 0.162 0.000 0.937 283 A CB -0.716 18.386 19.000 0.170 0.000 1.133 283 A HN 0.578 8.834 8.150 0.176 0.000 0.491 284 E N 4.588 124.858 120.200 0.116 0.000 2.209 284 E HA -0.416 3.982 4.350 0.081 0.000 0.196 284 E C 1.944 178.580 176.600 0.060 0.000 0.993 284 E CA 3.540 59.991 56.400 0.084 0.000 0.819 284 E CB -0.098 29.651 29.700 0.082 0.000 0.745 284 E HN -0.234 8.211 8.360 0.142 0.000 0.477 285 R N -2.278 118.255 120.500 0.054 0.000 2.200 285 R HA -0.195 4.157 4.340 0.020 0.000 0.234 285 R C 0.932 177.246 176.300 0.023 0.000 1.127 285 R CA 2.299 58.416 56.100 0.028 0.000 0.989 285 R CB 0.001 30.309 30.300 0.012 0.000 0.869 285 R HN 0.094 8.457 8.270 0.066 -0.053 0.459 286 T N -1.914 112.667 114.554 0.045 0.000 3.339 286 T HA 0.212 4.570 4.350 0.013 0.000 0.292 286 T C -1.018 173.711 174.700 0.048 0.000 1.012 286 T CA -0.616 61.508 62.100 0.039 0.000 0.937 286 T CB 0.231 69.138 68.868 0.064 0.000 1.164 286 T HN -0.211 7.896 8.240 0.066 0.172 0.509 287 L N -0.381 120.872 121.223 0.049 0.000 2.615 287 L HA -0.131 4.248 4.340 0.065 0.000 0.284 287 L C 0.601 177.494 176.870 0.037 0.000 1.237 287 L CA 1.102 55.973 54.840 0.051 0.000 0.905 287 L CB 0.365 42.452 42.059 0.047 0.000 1.149 287 L HN -0.512 7.569 8.230 0.047 0.178 0.499 288 Q N 5.046 124.872 119.800 0.043 0.000 2.364 288 Q HA -0.263 4.090 4.340 0.022 0.000 0.209 288 Q C 0.266 176.282 176.000 0.026 0.000 0.977 288 Q CA 1.688 57.510 55.803 0.032 0.000 0.885 288 Q CB 0.342 29.104 28.738 0.040 0.000 0.941 288 Q HN 0.479 8.780 8.270 0.053 0.000 0.464 289 E N -5.865 114.354 120.200 0.030 0.000 2.971 289 E HA -0.235 4.132 4.350 0.028 0.000 0.278 289 E C -0.646 175.971 176.600 0.027 0.000 1.009 289 E CA 0.684 57.099 56.400 0.026 0.000 0.862 289 E CB -1.301 28.409 29.700 0.016 0.000 1.436 289 E HN 0.187 8.512 8.360 0.037 0.058 0.434 290 G N -3.334 105.487 108.800 0.035 0.000 3.815 290 G HA2 0.094 4.073 3.960 0.032 0.000 0.265 290 G HA3 0.094 4.074 3.960 0.034 0.000 0.265 290 G C -0.735 174.194 174.900 0.048 0.000 1.026 290 G CA -0.192 44.930 45.100 0.037 0.000 0.868 290 G HN -0.184 8.092 8.290 0.040 0.038 0.476 291 M N 0.558 120.191 119.600 0.056 0.000 2.248 291 M HA -0.153 4.557 4.480 0.083 -0.181 0.345 291 M C -0.298 176.042 176.300 0.066 0.000 1.243 291 M CA 1.076 56.420 55.300 0.072 0.000 1.090 291 M CB 0.594 33.242 32.600 0.080 0.000 1.683 291 M HN -0.369 7.952 8.290 0.053 0.000 0.450 292 S N 3.440 119.184 115.700 0.075 0.000 2.680 292 S HA 0.203 4.709 4.470 0.061 0.000 0.140 292 S C -2.088 172.557 174.600 0.075 0.000 1.357 292 S CA -1.745 56.494 58.200 0.065 0.000 1.201 292 S CB 0.409 63.640 63.200 0.051 0.000 1.547 292 S HN -0.057 8.634 8.310 0.088 -0.328 0.411 293 P HA 0.261 4.744 4.420 0.104 0.000 0.282 293 P C -1.692 175.657 177.300 0.083 0.000 1.286 293 P CA 0.079 63.240 63.100 0.101 0.000 0.777 293 P CB 0.893 32.669 31.700 0.126 0.000 1.184 294 E N -0.829 119.423 120.200 0.086 0.000 2.850 294 E HA -0.048 4.346 4.350 0.074 0.000 0.368 294 E C -1.388 175.257 176.600 0.076 0.000 1.116 294 E CA -0.088 56.355 56.400 0.070 0.000 0.787 294 E CB 0.175 29.901 29.700 0.043 0.000 1.561 294 E HN -0.045 8.374 8.360 0.097 0.000 0.381 295 R N 0.883 121.460 120.500 0.128 0.000 3.201 295 R HA -0.169 4.332 4.340 0.269 0.000 0.254 295 R C -1.410 174.968 176.300 0.129 0.000 0.978 295 R CA 0.123 56.308 56.100 0.140 0.000 0.661 295 R CB -2.286 28.026 30.300 0.019 0.000 1.170 295 R HN 0.288 8.650 8.270 0.152 0.000 0.430 296 A N -2.022 120.940 122.820 0.236 0.000 1.920 296 A HA 0.015 4.383 4.320 0.080 0.000 0.209 296 A C -0.621 177.166 177.584 0.338 0.000 1.229 296 A CA 0.335 52.484 52.037 0.186 0.000 0.671 296 A CB 0.541 19.631 19.000 0.151 0.000 0.886 296 A HN -0.111 8.212 8.150 0.288 0.000 0.461 297 W N -4.253 117.076 121.300 0.048 0.000 4.551 297 W HA -0.267 4.421 4.660 0.048 0.000 0.343 297 W C -1.453 175.117 176.519 0.085 0.000 1.269 297 W CA 0.033 57.407 57.345 0.050 0.000 0.799 297 W CB -1.963 27.511 29.460 0.023 0.000 2.352 297 W HN -0.145 8.318 8.180 0.472 0.000 1.462 298 S N -2.734 113.159 115.700 0.322 0.000 3.681 298 S HA -0.202 4.662 4.470 0.657 0.000 0.473 298 S C -1.193 173.584 174.600 0.295 0.000 0.830 298 S CA 0.213 58.657 58.200 0.405 0.000 1.355 298 S CB -0.133 63.236 63.200 0.283 0.000 0.892 298 S HN -0.301 8.164 8.310 0.318 0.036 0.649 299 P HA 0.035 4.469 4.420 0.024 0.000 0.234 299 P C -0.265 177.004 177.300 -0.051 0.000 1.167 299 P CA 0.779 63.857 63.100 -0.036 0.000 0.763 299 P CB 0.354 31.942 31.700 -0.188 0.000 0.835 300 W N -1.751 119.528 121.300 -0.035 0.000 2.289 300 W HA -0.277 4.344 4.660 -0.066 0.000 0.328 300 W C 0.192 176.663 176.519 -0.079 0.000 1.241 300 W CA 1.387 58.686 57.345 -0.078 0.000 1.221 300 W CB -0.119 29.247 29.460 -0.157 0.000 1.175 300 W HN -0.624 7.690 8.180 0.347 0.074 0.457 301 I N -4.561 116.126 120.570 0.194 0.000 2.428 301 I HA -0.016 4.258 4.170 -0.003 -0.106 0.296 301 I C 0.671 176.806 176.117 0.030 0.000 0.985 301 I CA -1.335 59.996 61.300 0.053 0.000 1.260 301 I CB 1.074 39.096 38.000 0.036 0.000 1.389 301 I HN -0.536 7.834 8.210 0.266 0.000 0.484 302 A N 5.140 127.935 122.820 -0.042 0.000 1.986 302 A HA -0.206 4.108 4.320 -0.010 0.000 0.220 302 A C -0.172 177.428 177.584 0.028 0.000 1.171 302 A CA 2.198 54.221 52.037 -0.025 0.000 0.640 302 A CB 0.229 19.184 19.000 -0.076 0.000 0.811 302 A HN 0.267 8.349 8.150 -0.114 0.000 0.451 303 E N -4.323 115.901 120.200 0.039 0.000 2.343 303 E HA 0.251 4.661 4.350 0.100 0.000 0.286 303 E C -2.315 174.349 176.600 0.107 0.000 0.915 303 E CA -0.388 56.061 56.400 0.082 0.000 0.784 303 E CB 3.201 32.949 29.700 0.080 0.000 1.251 303 E HN -0.681 7.656 8.360 0.013 0.031 0.407 304 L N -1.352 119.940 121.223 0.116 0.000 2.720 304 L HA 0.638 5.171 4.340 0.192 -0.078 0.261 304 L C -1.808 175.128 176.870 0.110 0.000 1.046 304 L CA -1.008 53.914 54.840 0.136 0.000 0.886 304 L CB 3.278 45.398 42.059 0.101 0.000 1.493 304 L HN 0.070 8.365 8.230 0.109 0.000 0.407 305 D N 1.097 121.586 120.400 0.147 0.000 2.438 305 D HA 0.339 4.975 4.640 -0.006 0.000 0.257 305 D C -0.927 175.426 176.300 0.089 0.000 1.148 305 D CA -0.340 53.721 54.000 0.103 0.000 0.902 305 D CB 1.316 42.261 40.800 0.241 0.000 1.062 305 D HN -0.056 8.440 8.370 0.209 0.000 0.518 306 I N -2.230 118.301 120.570 -0.065 0.000 2.396 306 I HA 0.376 4.758 4.170 -0.036 -0.233 0.289 306 I C -0.480 175.479 176.117 -0.264 0.000 1.056 306 I CA -0.512 60.728 61.300 -0.100 0.000 1.365 306 I CB 0.251 38.195 38.000 -0.093 0.000 1.407 306 I HN 0.178 8.330 8.210 -0.098 0.000 0.509 307 Y N 8.844 128.839 120.300 -0.509 0.000 2.534 307 Y HA 0.234 4.547 4.550 -0.394 0.000 0.329 307 Y C -0.843 174.822 175.900 -0.392 0.000 1.154 307 Y CA -1.567 56.135 58.100 -0.664 0.000 1.192 307 Y CB 3.612 41.120 38.460 -1.586 0.000 1.275 307 Y HN -0.042 8.097 8.280 -0.235 0.000 0.491 308 R N 0.716 121.209 120.500 -0.012 0.000 2.435 308 R HA 0.310 4.731 4.340 0.136 0.000 0.308 308 R C -1.755 174.693 176.300 0.247 0.000 0.975 308 R CA -0.955 55.212 56.100 0.113 0.000 0.867 308 R CB 1.097 31.421 30.300 0.041 0.000 1.171 308 R HN 0.237 8.505 8.270 -0.003 0.000 0.470 309 Q N 4.449 124.448 119.800 0.332 0.000 2.268 309 Q HA 0.151 4.611 4.340 0.201 0.000 0.266 309 Q C -1.764 174.335 176.000 0.164 0.000 1.006 309 Q CA -0.627 55.339 55.803 0.272 0.000 0.824 309 Q CB 3.972 32.926 28.738 0.360 0.000 1.306 309 Q HN -0.185 8.292 8.270 0.345 0.000 0.424 310 D N 5.073 125.532 120.400 0.098 0.000 2.380 310 D HA -0.171 4.580 4.640 0.072 -0.069 0.270 310 D C -0.711 175.608 176.300 0.030 0.000 1.363 310 D CA 0.469 54.505 54.000 0.061 0.000 1.057 310 D CB -1.491 39.333 40.800 0.039 0.000 1.096 310 D HN 0.263 8.688 8.370 0.092 0.000 0.524 311 C N 1.064 120.386 119.300 0.036 0.000 3.170 311 C HA 0.049 4.493 4.460 -0.028 0.000 0.319 311 C C -2.313 172.689 174.990 0.019 0.000 1.260 311 C CA -1.334 57.680 59.018 -0.006 0.000 1.374 311 C CB 4.439 32.144 27.740 -0.058 0.000 1.739 311 C HN -0.296 7.976 8.230 0.070 0.000 0.479 312 A N 0.877 123.686 122.820 -0.018 0.000 2.355 312 A HA 0.567 4.928 4.320 0.070 0.000 0.317 312 A C 0.238 177.802 177.584 -0.032 0.000 1.094 312 A CA -1.909 50.116 52.037 -0.021 0.000 0.764 312 A CB 3.045 21.982 19.000 -0.106 0.000 1.230 312 A HN -0.062 8.240 8.150 -0.053 -0.184 0.448 313 H N 0.672 119.792 119.070 0.083 0.000 2.492 313 H HA -0.311 4.387 4.556 0.236 0.000 0.296 313 H C 1.220 176.652 175.328 0.174 0.000 1.095 313 H CA 2.742 58.890 56.048 0.167 0.000 1.281 313 H CB -0.791 29.028 29.762 0.095 0.000 1.374 313 H HN 0.744 9.195 8.280 0.285 0.000 0.545 314 V N -5.002 114.645 119.914 -0.445 0.000 2.667 314 V HA -0.246 3.779 4.120 -0.158 0.000 0.252 314 V C -0.202 175.810 176.094 -0.136 0.000 1.065 314 V CA 0.947 63.083 62.300 -0.274 0.000 1.083 314 V CB -0.234 31.384 31.823 -0.342 0.000 0.692 314 V HN -0.206 7.505 8.190 -0.716 0.049 0.468 315 D N -4.163 116.156 120.400 -0.135 0.000 2.650 315 D HA 0.025 4.583 4.640 -0.137 0.000 0.265 315 D C -1.017 175.183 176.300 -0.166 0.000 1.339 315 D CA -1.126 52.793 54.000 -0.135 0.000 0.816 315 D CB -0.105 40.624 40.800 -0.119 0.000 1.091 315 D HN -0.037 8.091 8.370 -0.146 0.155 0.483 316 I N -1.522 118.952 120.570 -0.161 0.000 3.783 316 I HA -0.007 3.999 4.170 -0.273 0.000 0.310 316 I C 0.094 175.899 176.117 -0.519 0.000 1.274 316 I CA 0.605 61.749 61.300 -0.260 0.000 1.294 316 I CB 1.084 39.013 38.000 -0.118 0.000 1.051 316 I HN -0.978 7.019 8.210 -0.078 0.166 0.435 317 I N -1.209 119.054 120.570 -0.513 0.000 3.806 317 I HA -0.051 3.551 4.170 -0.946 0.000 0.321 317 I C -0.842 175.020 176.117 -0.424 0.000 1.315 317 I CA -1.930 58.977 61.300 -0.654 0.000 1.148 317 I CB -0.420 37.221 38.000 -0.598 0.000 1.028 317 I HN -0.285 7.689 8.210 -0.325 0.041 0.415 318 S N 1.256 116.722 115.700 -0.390 0.000 2.632 318 S HA 0.222 4.585 4.470 -0.179 0.000 0.267 318 S C -0.301 174.215 174.600 -0.140 0.000 1.276 318 S CA -1.606 56.460 58.200 -0.223 0.000 0.998 318 S CB 1.065 64.157 63.200 -0.181 0.000 0.953 318 S HN -0.434 7.520 8.310 -0.418 0.105 0.547 319 P HA 0.030 4.586 4.420 0.225 0.000 0.234 319 P C 0.430 177.704 177.300 -0.044 0.000 1.167 319 P CA 0.866 63.998 63.100 0.055 0.000 0.763 319 P CB -0.140 31.572 31.700 0.021 0.000 0.835 320 G N -0.475 108.266 108.800 -0.098 0.000 2.411 320 G HA2 -0.097 3.814 3.960 -0.081 0.000 0.213 320 G HA3 -0.097 3.801 3.960 -0.102 0.000 0.213 320 G C 0.703 175.512 174.900 -0.152 0.000 1.166 320 G CA 1.504 46.539 45.100 -0.108 0.000 0.802 320 G HN 0.217 8.352 8.290 -0.116 0.085 0.533 321 T N 4.445 118.848 114.554 -0.252 0.000 2.867 321 T HA -0.284 3.922 4.350 -0.239 0.000 0.268 321 T C 1.401 175.925 174.700 -0.293 0.000 1.057 321 T CA 4.680 66.588 62.100 -0.321 0.000 1.136 321 T CB -0.028 68.560 68.868 -0.466 0.000 0.874 321 T HN -0.821 7.247 8.240 -0.288 0.000 0.466 322 F N 0.020 119.844 119.950 -0.210 0.000 2.075 322 F HA -0.316 4.107 4.527 -0.173 0.000 0.297 322 F C 0.909 176.541 175.800 -0.279 0.000 1.113 322 F CA 3.019 60.882 58.000 -0.229 0.000 1.218 322 F CB -0.527 38.316 39.000 -0.263 0.000 0.984 322 F HN -0.771 7.327 8.300 -0.338 0.000 0.472 323 E N -3.456 116.633 120.200 -0.185 0.000 2.150 323 E HA -0.405 3.638 4.350 -0.511 0.000 0.193 323 E C 2.306 178.895 176.600 -0.018 0.000 0.985 323 E CA 2.216 58.448 56.400 -0.280 0.000 0.814 323 E CB -0.221 29.307 29.700 -0.286 0.000 0.752 323 E HN -0.638 7.631 8.360 -0.151 0.000 0.466 324 K N -0.666 119.707 120.400 -0.046 0.000 2.057 324 K HA -0.208 4.116 4.320 0.006 0.000 0.207 324 K C 2.035 178.634 176.600 -0.001 0.000 1.049 324 K CA 2.570 58.843 56.287 -0.023 0.000 0.931 324 K CB 0.356 32.815 32.500 -0.068 0.000 0.714 324 K HN -0.615 7.472 8.250 -0.088 0.110 0.440 325 I N -1.159 119.402 120.570 -0.015 0.000 3.257 325 I HA -0.009 4.170 4.170 0.016 0.000 0.325 325 I C -0.393 175.762 176.117 0.064 0.000 1.287 325 I CA -0.925 60.382 61.300 0.011 0.000 1.263 325 I CB -1.644 36.340 38.000 -0.026 0.000 1.550 325 I HN -0.522 7.663 8.210 -0.041 0.000 0.505 326 G N 1.428 110.284 108.800 0.092 0.000 2.664 326 G HA2 0.280 4.322 3.960 0.137 0.000 0.216 326 G HA3 0.280 4.371 3.960 0.219 0.000 0.216 326 G C 0.128 175.067 174.900 0.066 0.000 1.243 326 G CA 1.386 46.566 45.100 0.133 0.000 0.859 326 G HN -0.622 7.640 8.290 0.086 0.080 0.574 327 P HA -0.086 4.338 4.420 0.006 0.000 0.219 327 P C 0.571 177.889 177.300 0.031 0.000 1.150 327 P CA 2.076 65.192 63.100 0.025 0.000 0.814 327 P CB -0.291 31.422 31.700 0.023 0.000 0.787 328 I N -7.780 112.815 120.570 0.043 0.000 3.001 328 I HA -0.067 4.135 4.170 0.054 0.000 0.268 328 I C 1.116 177.260 176.117 0.045 0.000 1.267 328 I CA 1.744 63.074 61.300 0.050 0.000 1.472 328 I CB -0.608 37.427 38.000 0.059 0.000 1.089 328 I HN -0.280 7.935 8.210 0.048 0.023 0.468 329 I N -0.134 120.460 120.570 0.040 0.000 2.876 329 I HA -0.271 3.935 4.170 0.059 0.000 0.264 329 I C 0.843 176.969 176.117 0.015 0.000 1.204 329 I CA 2.065 63.392 61.300 0.044 0.000 1.485 329 I CB 0.316 38.350 38.000 0.058 0.000 1.103 329 I HN -0.524 7.525 8.210 0.039 0.184 0.446 330 R N 0.833 121.333 120.500 -0.001 0.000 2.055 330 R HA -0.351 3.962 4.340 -0.044 0.000 0.226 330 R C 1.835 178.142 176.300 0.012 0.000 1.135 330 R CA 3.660 59.749 56.100 -0.018 0.000 0.959 330 R CB -0.050 30.233 30.300 -0.028 0.000 0.854 330 R HN -0.628 7.511 8.270 0.007 0.136 0.431 331 A N -3.136 119.709 122.820 0.042 0.000 1.972 331 A HA -0.179 4.195 4.320 0.091 0.000 0.219 331 A C 1.980 179.606 177.584 0.069 0.000 1.169 331 A CA 2.974 55.057 52.037 0.076 0.000 0.635 331 A CB -0.827 18.229 19.000 0.094 0.000 0.810 331 A HN -0.441 7.733 8.150 0.040 0.000 0.446 332 T N 1.047 115.629 114.554 0.046 0.000 2.809 332 T HA -0.272 4.115 4.350 0.062 0.000 0.260 332 T C 1.419 176.077 174.700 -0.071 0.000 1.039 332 T CA 4.735 66.849 62.100 0.024 0.000 1.141 332 T CB 0.183 69.071 68.868 0.033 0.000 0.869 332 T HN -0.709 7.532 8.240 0.042 0.024 0.437 333 L N -1.250 119.928 121.223 -0.075 0.000 2.376 333 L HA -0.251 3.920 4.340 -0.283 0.000 0.219 333 L C 1.364 178.201 176.870 -0.054 0.000 1.133 333 L CA 2.690 57.455 54.840 -0.125 0.000 0.816 333 L CB -0.362 41.654 42.059 -0.071 0.000 0.933 333 L HN -0.402 7.811 8.230 -0.028 0.000 0.449 334 N N -1.332 117.362 118.700 -0.010 0.000 2.395 334 N HA -0.106 4.809 4.740 0.028 -0.158 0.175 334 N C 1.514 177.061 175.510 0.062 0.000 1.029 334 N CA 2.486 55.552 53.050 0.027 0.000 0.897 334 N CB 0.618 39.121 38.487 0.027 0.000 0.991 334 N HN 0.129 8.367 8.380 -0.004 0.140 0.441 335 R N -2.181 118.358 120.500 0.064 0.000 2.161 335 R HA -0.104 4.316 4.340 0.133 0.000 0.213 335 R C 1.099 177.436 176.300 0.063 0.000 1.055 335 R CA 2.402 58.563 56.100 0.102 0.000 0.996 335 R CB -0.027 30.359 30.300 0.143 0.000 0.901 335 R HN -0.559 7.639 8.270 0.043 0.098 0.456 336 L N -6.085 115.135 121.223 -0.005 0.000 2.416 336 L HA 0.197 4.543 4.340 0.010 0.000 0.216 336 L C 1.324 178.219 176.870 0.043 0.000 1.098 336 L CA 1.306 56.124 54.840 -0.036 0.000 0.840 336 L CB -0.092 41.816 42.059 -0.252 0.000 0.981 336 L HN -0.526 7.679 8.230 -0.042 0.000 0.462 337 E N -1.612 118.642 120.200 0.090 0.000 2.033 337 E HA -0.358 4.177 4.350 0.307 0.000 0.199 337 E C 0.070 176.815 176.600 0.243 0.000 1.011 337 E CA 2.616 59.145 56.400 0.215 0.000 0.815 337 E CB 0.340 30.161 29.700 0.202 0.000 0.755 337 E HN -0.582 7.806 8.360 0.046 0.000 0.451 338 H N -2.676 116.437 119.070 0.072 0.000 3.085 338 H HA 0.166 4.725 4.556 0.005 0.000 0.356 338 H C -1.415 173.956 175.328 0.072 0.000 1.178 338 H CA -0.384 55.688 56.048 0.042 0.000 1.214 338 H CB 1.520 31.312 29.762 0.051 0.000 1.881 338 H HN -0.574 7.820 8.280 0.191 0.000 0.538 339 H N 0.818 119.515 119.070 -0.621 0.000 1.511 339 H HA -0.303 3.822 4.556 -0.719 0.000 0.100 339 H C -1.100 174.002 175.328 -0.377 0.000 1.374 339 H CA 0.931 56.659 56.048 -0.533 0.000 1.878 339 H CB 0.384 29.979 29.762 -0.279 0.000 2.226 339 H HN 0.168 7.843 8.280 -1.009 0.000 0.955 340 H N -2.388 116.743 119.070 0.101 0.000 2.344 340 H HA 0.043 4.558 4.556 -0.068 0.000 0.333 340 H C 0.713 176.002 175.328 -0.066 0.000 1.607 340 H CA 0.168 56.160 56.048 -0.094 0.000 1.455 340 H CB 0.769 30.353 29.762 -0.296 0.000 1.716 340 H HN 0.003 8.255 8.280 -0.046 0.000 0.646 341 H N -2.336 116.874 119.070 0.234 0.000 2.929 341 H HA 0.020 4.675 4.556 0.164 0.000 0.358 341 H C -0.519 174.911 175.328 0.171 0.000 1.111 341 H CA 0.333 56.482 56.048 0.169 0.000 1.409 341 H CB 0.307 30.143 29.762 0.124 0.000 1.373 341 H HN 0.183 8.242 8.280 -0.368 0.000 0.610 342 H N 3.857 123.083 119.070 0.260 0.000 2.338 342 H HA -0.039 4.599 4.556 0.136 0.000 0.291 342 H C -0.149 175.259 175.328 0.134 0.000 0.989 342 H CA 0.483 56.618 56.048 0.145 0.000 1.281 342 H CB 1.105 30.892 29.762 0.043 0.000 1.484 342 H HN 0.362 8.883 8.280 0.401 0.000 0.576 343 H N 0.000 119.176 119.070 0.177 0.000 2.539 343 H HA 0.000 4.583 4.556 0.045 0.000 0.296 343 H CA 0.000 56.087 56.048 0.065 0.000 1.023 343 H CB 0.000 29.812 29.762 0.084 0.000 1.292 343 H HN 0.000 8.509 8.280 0.382 0.000 0.496