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 1ho1_1_A DATA FIRST_RESID 2 DATA SEQUENCE AELLLGVNID HIATLRNARG TAYPDPVQAA FIAEQAGADG ITVHLREDRR DATA SEQUENCE HITDRDVRIL RQTLDTRMNL EMAVTEEMLA IAVETKPHFC CLVPEXXXXX DATA SEQUENCE XXEGGLDVAG QRDKMRDACK RLADAGIQVS LFIDADEEQI KAAAEVGAPF DATA SEQUENCE IEIHTGCYAD AKTDAEQAQE LARIAKAATF AASLGLKVNA GHGLTYHNVK DATA SEQUENCE AIAAIPEMHE LNIGHAIIGR AVMTGLKDAV AEMKRLMLEA RG 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 2 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 2 A C 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.050 52.037 0.023 0.000 0.836 2 A CB 0.000 19.028 19.000 0.047 0.000 0.831 3 E N 1.188 121.380 120.200 -0.012 0.000 2.383 3 E HA 0.268 4.602 4.350 -0.028 0.000 0.264 3 E C -0.584 175.979 176.600 -0.062 0.000 1.050 3 E CA -0.388 55.996 56.400 -0.028 0.000 0.896 3 E CB 0.583 30.269 29.700 -0.023 0.000 0.982 3 E HN 0.656 9.016 8.360 -0.000 0.000 0.424 4 L N 5.584 126.772 121.223 -0.059 0.000 2.462 4 L HA 0.093 4.416 4.340 -0.028 0.000 0.272 4 L C -0.294 176.512 176.870 -0.105 0.000 1.166 4 L CA -0.004 54.785 54.840 -0.085 0.000 0.880 4 L CB 0.211 42.239 42.059 -0.053 0.000 1.142 4 L HN 0.541 8.771 8.230 -0.000 0.000 0.473 5 L N 5.468 126.591 121.223 -0.166 0.000 2.416 5 L HA 0.456 4.779 4.340 -0.028 0.000 0.262 5 L C -0.266 176.544 176.870 -0.100 0.000 1.093 5 L CA -0.621 54.135 54.840 -0.140 0.000 0.801 5 L CB 1.534 43.474 42.059 -0.199 0.000 1.191 5 L HN 0.538 8.768 8.230 -0.000 0.000 0.459 6 L N 0.853 122.031 121.223 -0.074 0.000 2.349 6 L HA 0.621 4.944 4.340 -0.028 0.000 0.278 6 L C -0.333 176.502 176.870 -0.058 0.000 0.996 6 L CA -0.273 54.530 54.840 -0.062 0.000 0.825 6 L CB 1.664 43.694 42.059 -0.049 0.000 1.243 6 L HN 0.693 8.923 8.230 -0.000 0.000 0.412 7 G N 4.167 112.929 108.800 -0.063 0.000 2.372 7 G HA2 0.536 4.479 3.960 -0.028 0.000 0.323 7 G HA3 0.536 4.479 3.960 -0.028 0.000 0.323 7 G C -1.052 173.814 174.900 -0.056 0.000 1.152 7 G CA -0.303 44.761 45.100 -0.060 0.000 0.906 7 G HN 0.359 8.649 8.290 -0.000 0.000 0.460 8 V N 3.425 123.309 119.914 -0.050 0.000 2.370 8 V HA 0.263 4.366 4.120 -0.028 0.000 0.283 8 V C -0.061 175.995 176.094 -0.063 0.000 1.023 8 V CA -1.237 61.031 62.300 -0.054 0.000 0.857 8 V CB 1.484 33.283 31.823 -0.040 0.000 0.985 8 V HN 0.748 8.938 8.190 -0.000 0.000 0.443 9 N N 5.082 123.734 118.700 -0.081 0.000 2.408 9 N HA 0.241 4.964 4.740 -0.028 0.000 0.257 9 N C 0.512 175.946 175.510 -0.127 0.000 1.064 9 N CA -0.389 52.598 53.050 -0.105 0.000 0.952 9 N CB 1.285 39.696 38.487 -0.126 0.000 1.093 9 N HN 0.765 9.145 8.380 -0.000 0.000 0.490 10 I N -0.217 120.288 120.570 -0.108 0.000 3.855 10 I HA 0.204 4.358 4.170 -0.028 0.000 0.327 10 I C 0.397 176.436 176.117 -0.129 0.000 1.359 10 I CA -0.352 60.892 61.300 -0.092 0.000 1.142 10 I CB 0.112 38.082 38.000 -0.050 0.000 1.041 10 I HN 0.113 8.323 8.210 -0.000 0.000 0.403 11 D N 2.014 122.267 120.400 -0.246 0.000 2.133 11 D HA -0.228 4.395 4.640 -0.028 0.000 0.192 11 D C 1.794 177.970 176.300 -0.207 0.000 1.001 11 D CA 1.778 55.522 54.000 -0.428 0.000 0.844 11 D CB -0.313 40.019 40.800 -0.780 0.000 0.944 11 D HN 0.502 8.872 8.370 -0.000 0.000 0.447 12 H N -0.185 118.799 119.070 -0.142 0.000 2.561 12 H HA 0.021 4.609 4.556 0.052 0.000 0.278 12 H C 1.979 177.301 175.328 -0.010 0.000 1.014 12 H CA 0.035 56.062 56.048 -0.035 0.000 1.211 12 H CB -0.024 29.766 29.762 0.047 0.000 1.365 12 H HN 0.197 8.477 8.280 -0.000 0.000 0.594 13 I N 0.212 120.832 120.570 0.084 0.000 2.252 13 I HA -0.142 4.011 4.170 -0.028 0.000 0.245 13 I C 2.446 178.602 176.117 0.065 0.000 1.102 13 I CA 1.067 62.406 61.300 0.065 0.000 1.385 13 I CB -1.150 36.873 38.000 0.039 0.000 1.064 13 I HN 0.160 8.370 8.210 -0.000 0.000 0.414 14 A N 0.296 123.150 122.820 0.057 0.000 1.968 14 A HA -0.138 4.165 4.320 -0.028 0.000 0.217 14 A C 2.377 180.021 177.584 0.101 0.000 1.169 14 A CA 1.913 53.994 52.037 0.074 0.000 0.638 14 A CB -0.914 18.143 19.000 0.095 0.000 0.812 14 A HN 0.393 8.543 8.150 -0.000 0.000 0.446 15 T N 0.216 114.851 114.554 0.135 0.000 2.684 15 T HA -0.155 4.179 4.350 -0.028 0.000 0.267 15 T C 1.791 176.523 174.700 0.053 0.000 1.036 15 T CA 1.606 63.774 62.100 0.114 0.000 1.148 15 T CB -0.337 68.579 68.868 0.080 0.000 0.863 15 T HN 0.269 8.509 8.240 -0.000 0.000 0.436 16 L N 1.069 122.324 121.223 0.053 0.000 2.046 16 L HA 0.026 4.350 4.340 -0.028 0.000 0.208 16 L C 2.559 179.440 176.870 0.018 0.000 1.077 16 L CA 1.648 56.511 54.840 0.038 0.000 0.747 16 L CB -0.511 41.581 42.059 0.056 0.000 0.896 16 L HN 0.105 8.335 8.230 -0.000 0.000 0.432 17 R N -0.784 119.723 120.500 0.013 0.000 2.066 17 R HA -0.148 4.175 4.340 -0.028 0.000 0.232 17 R C 1.873 178.139 176.300 -0.057 0.000 1.131 17 R CA 1.651 57.727 56.100 -0.041 0.000 0.955 17 R CB -0.203 30.082 30.300 -0.026 0.000 0.851 17 R HN 0.379 8.649 8.270 -0.000 0.000 0.432 18 N N 0.758 119.448 118.700 -0.016 0.000 2.364 18 N HA -0.093 4.630 4.740 -0.028 0.000 0.183 18 N C 1.226 176.721 175.510 -0.025 0.000 1.022 18 N CA 1.147 54.186 53.050 -0.019 0.000 0.883 18 N CB -0.201 38.291 38.487 0.008 0.000 0.965 18 N HN 0.313 8.693 8.380 -0.000 0.000 0.438 19 A N -0.358 122.451 122.820 -0.019 0.000 2.248 19 A HA 0.039 4.342 4.320 -0.028 0.000 0.210 19 A C 2.050 179.617 177.584 -0.029 0.000 1.174 19 A CA 1.089 53.116 52.037 -0.018 0.000 0.750 19 A CB -0.058 18.938 19.000 -0.007 0.000 0.780 19 A HN 0.096 8.246 8.150 -0.000 0.000 0.478 20 R N -3.061 117.407 120.500 -0.053 0.000 2.591 20 R HA 0.249 4.572 4.340 -0.028 0.000 0.288 20 R C 1.034 177.281 176.300 -0.088 0.000 0.947 20 R CA 1.001 57.062 56.100 -0.066 0.000 1.085 20 R CB 0.149 30.401 30.300 -0.079 0.000 1.618 20 R HN 0.722 8.992 8.270 -0.000 0.000 0.524 21 G N 0.785 109.528 108.800 -0.095 0.000 2.162 21 G HA2 -0.342 3.601 3.960 -0.028 0.000 0.260 21 G HA3 -0.342 3.601 3.960 -0.028 0.000 0.260 21 G C 0.327 175.149 174.900 -0.130 0.000 0.976 21 G CA 0.869 45.916 45.100 -0.089 0.000 0.655 21 G HN 0.540 8.830 8.290 -0.000 0.000 0.533 22 T N -2.862 111.548 114.554 -0.239 0.000 2.814 22 T HA 0.728 5.061 4.350 -0.028 0.000 0.284 22 T C 1.528 176.047 174.700 -0.302 0.000 0.998 22 T CA 0.436 62.322 62.100 -0.357 0.000 0.935 22 T CB 1.704 70.041 68.868 -0.885 0.000 1.167 22 T HN 1.250 9.490 8.240 -0.000 0.000 0.545 23 A N -0.452 122.218 122.820 -0.250 0.000 2.267 23 A HA 0.372 4.675 4.320 -0.028 0.000 0.213 23 A C 0.239 177.806 177.584 -0.028 0.000 1.192 23 A CA -0.302 51.688 52.037 -0.079 0.000 0.851 23 A CB -0.688 18.330 19.000 0.030 0.000 0.881 23 A HN 0.817 8.967 8.150 -0.000 0.000 0.494 24 Y N -1.457 118.857 120.300 0.023 0.000 2.509 24 Y HA 0.762 5.297 4.550 -0.024 0.000 0.341 24 Y C -3.022 172.894 175.900 0.025 0.000 1.038 24 Y CA -4.225 53.890 58.100 0.025 0.000 1.089 24 Y CB 0.646 39.118 38.460 0.021 0.000 1.241 24 Y HN -0.111 8.169 8.280 -0.000 0.000 0.468 25 P HA 0.063 4.483 4.420 -0.000 0.000 0.278 25 P C -1.005 176.367 177.300 0.121 0.000 1.238 25 P CA -0.086 63.133 63.100 0.199 0.000 0.794 25 P CB 1.456 33.242 31.700 0.144 0.000 0.955 26 D N 2.624 123.096 120.400 0.120 0.000 2.274 26 D HA 0.193 4.816 4.640 -0.028 0.000 0.239 26 D C -1.620 174.724 176.300 0.075 0.000 1.104 26 D CA -2.309 51.745 54.000 0.089 0.000 0.840 26 D CB 1.130 41.991 40.800 0.101 0.000 1.100 26 D HN 0.056 8.426 8.370 -0.000 0.000 0.477 27 P HA -0.143 4.277 4.420 -0.000 0.000 0.218 27 P C 1.488 178.805 177.300 0.029 0.000 1.146 27 P CA 0.549 63.668 63.100 0.032 0.000 0.813 27 P CB 0.446 32.156 31.700 0.016 0.000 0.778 28 V N -0.296 119.645 119.914 0.046 0.000 2.407 28 V HA -0.258 3.845 4.120 -0.028 0.000 0.248 28 V C 2.628 178.805 176.094 0.138 0.000 1.055 28 V CA 1.812 64.138 62.300 0.043 0.000 1.049 28 V CB -1.151 30.724 31.823 0.086 0.000 0.662 28 V HN 0.222 8.412 8.190 -0.000 0.000 0.455 29 Q N 0.076 119.983 119.800 0.179 0.000 2.046 29 Q HA -0.169 4.154 4.340 -0.028 0.000 0.200 29 Q C 2.313 178.428 176.000 0.192 0.000 0.975 29 Q CA 1.738 57.685 55.803 0.241 0.000 0.836 29 Q CB -0.255 28.570 28.738 0.146 0.000 0.896 29 Q HN 0.603 8.873 8.270 -0.000 0.000 0.428 30 A N 0.910 123.794 122.820 0.107 0.000 1.940 30 A HA -0.167 4.137 4.320 -0.028 0.000 0.219 30 A C 2.266 179.879 177.584 0.048 0.000 1.176 30 A CA 1.771 53.850 52.037 0.070 0.000 0.631 30 A CB -0.923 18.102 19.000 0.042 0.000 0.814 30 A HN 0.564 8.714 8.150 -0.000 0.000 0.446 31 A N -1.072 121.749 122.820 0.001 0.000 1.902 31 A HA -0.023 4.280 4.320 -0.028 0.000 0.217 31 A C 2.006 179.554 177.584 -0.059 0.000 1.181 31 A CA 1.466 53.456 52.037 -0.078 0.000 0.623 31 A CB -0.782 18.103 19.000 -0.191 0.000 0.818 31 A HN 0.497 8.647 8.150 -0.000 0.000 0.443 32 F N -0.011 119.943 119.950 0.006 0.000 2.102 32 F HA -0.170 4.339 4.527 -0.029 0.000 0.298 32 F C 2.225 178.027 175.800 0.004 0.000 1.105 32 F CA 1.530 59.532 58.000 0.005 0.000 1.239 32 F CB -0.352 38.651 39.000 0.006 0.000 0.991 32 F HN 0.124 8.424 8.300 -0.000 0.000 0.474 33 I N -0.100 120.594 120.570 0.207 0.000 2.127 33 I HA -0.368 3.786 4.170 -0.028 0.000 0.241 33 I C 2.672 178.834 176.117 0.075 0.000 1.075 33 I CA 1.339 62.707 61.300 0.114 0.000 1.334 33 I CB -0.801 37.248 38.000 0.083 0.000 1.040 33 I HN 0.130 8.340 8.210 -0.000 0.000 0.405 34 A N 0.330 123.183 122.820 0.054 0.000 1.877 34 A HA -0.235 4.068 4.320 -0.028 0.000 0.216 34 A C 2.198 179.796 177.584 0.023 0.000 1.186 34 A CA 1.746 53.800 52.037 0.027 0.000 0.620 34 A CB -0.668 18.336 19.000 0.006 0.000 0.822 34 A HN 0.463 8.613 8.150 -0.000 0.000 0.443 35 E N -0.547 119.668 120.200 0.023 0.000 2.265 35 E HA -0.197 4.136 4.350 -0.028 0.000 0.196 35 E C 1.645 178.267 176.600 0.037 0.000 0.996 35 E CA 1.167 57.578 56.400 0.018 0.000 0.832 35 E CB -0.108 29.596 29.700 0.006 0.000 0.756 35 E HN 0.741 9.101 8.360 -0.000 0.000 0.491 36 Q N -1.072 118.763 119.800 0.057 0.000 2.247 36 Q HA 0.207 4.531 4.340 -0.028 0.000 0.204 36 Q C 0.831 176.852 176.000 0.035 0.000 0.872 36 Q CA 0.052 55.885 55.803 0.051 0.000 0.951 36 Q CB 1.090 29.869 28.738 0.067 0.000 1.099 36 Q HN 0.095 8.365 8.270 -0.000 0.000 0.501 37 A N -0.614 122.224 122.820 0.031 0.000 2.538 37 A HA 0.555 4.859 4.320 -0.028 0.000 0.269 37 A C 1.084 178.680 177.584 0.019 0.000 1.231 37 A CA 0.402 52.454 52.037 0.025 0.000 0.948 37 A CB 0.508 19.525 19.000 0.029 0.000 1.110 37 A HN 0.307 8.457 8.150 -0.000 0.000 0.529 38 G N -1.743 107.065 108.800 0.013 0.000 2.318 38 G HA2 0.249 4.193 3.960 -0.028 0.000 0.172 38 G HA3 0.249 4.193 3.960 -0.028 0.000 0.172 38 G C 0.390 175.287 174.900 -0.005 0.000 1.002 38 G CA -0.040 45.063 45.100 0.005 0.000 0.697 38 G HN 1.433 9.723 8.290 -0.000 0.000 0.483 39 A N 0.449 123.266 122.820 -0.004 0.000 2.354 39 A HA 0.614 4.918 4.320 -0.028 0.000 0.269 39 A C 0.758 178.332 177.584 -0.018 0.000 1.109 39 A CA 0.508 52.535 52.037 -0.016 0.000 0.800 39 A CB 0.421 19.411 19.000 -0.017 0.000 1.045 39 A HN 0.143 8.293 8.150 -0.000 0.000 0.489 40 D N 1.012 121.397 120.400 -0.025 0.000 2.407 40 D HA 0.257 4.880 4.640 -0.028 0.000 0.208 40 D C 0.644 176.935 176.300 -0.015 0.000 1.083 40 D CA 1.141 55.127 54.000 -0.022 0.000 0.844 40 D CB 0.888 41.669 40.800 -0.031 0.000 0.967 40 D HN 0.722 9.092 8.370 -0.000 0.000 0.506 41 G N 0.380 109.169 108.800 -0.019 0.000 2.673 41 G HA2 0.473 4.417 3.960 -0.028 0.000 0.292 41 G HA3 0.473 4.417 3.960 -0.028 0.000 0.292 41 G C -1.659 173.228 174.900 -0.022 0.000 1.450 41 G CA -0.481 44.616 45.100 -0.006 0.000 0.837 41 G HN -0.104 8.186 8.290 -0.000 0.000 0.505 42 I N 1.010 121.569 120.570 -0.018 0.000 2.465 42 I HA 0.495 4.648 4.170 -0.028 0.000 0.291 42 I C -0.125 175.978 176.117 -0.022 0.000 1.014 42 I CA -0.545 60.736 61.300 -0.033 0.000 1.093 42 I CB 1.709 39.678 38.000 -0.051 0.000 1.267 42 I HN 0.346 8.556 8.210 -0.000 0.000 0.431 43 T N 5.901 120.433 114.554 -0.037 0.000 2.823 43 T HA 0.692 5.025 4.350 -0.028 0.000 0.279 43 T C -0.241 174.438 174.700 -0.035 0.000 0.998 43 T CA -0.535 61.544 62.100 -0.034 0.000 0.994 43 T CB 2.007 70.842 68.868 -0.055 0.000 0.960 43 T HN 0.449 8.689 8.240 -0.000 0.000 0.448 44 V N 0.731 120.641 119.914 -0.007 0.000 2.841 44 V HA 0.572 4.675 4.120 -0.028 0.000 0.310 44 V C -0.951 175.200 176.094 0.096 0.000 1.090 44 V CA -1.014 61.296 62.300 0.017 0.000 0.930 44 V CB 1.929 33.764 31.823 0.020 0.000 1.014 44 V HN 1.046 9.236 8.190 -0.000 0.000 0.425 45 H N 4.386 123.466 119.070 0.016 0.000 2.595 45 H HA 0.526 5.068 4.556 -0.023 0.000 0.313 45 H C -1.124 174.290 175.328 0.143 0.000 1.023 45 H CA -0.953 55.137 56.048 0.070 0.000 1.218 45 H CB 1.627 31.443 29.762 0.090 0.000 1.403 45 H HN 0.771 9.051 8.280 -0.000 0.000 0.477 46 L N 7.075 128.447 121.223 0.249 0.000 2.312 46 L HA 0.278 4.601 4.340 -0.028 0.000 0.287 46 L C 0.048 176.904 176.870 -0.024 0.000 1.091 46 L CA -0.161 54.729 54.840 0.084 0.000 0.846 46 L CB -0.003 42.101 42.059 0.075 0.000 1.219 46 L HN 0.694 8.924 8.230 -0.000 0.000 0.439 47 R N 2.547 122.902 120.500 -0.242 0.000 2.531 47 R HA 0.099 4.422 4.340 -0.028 0.000 0.273 47 R C 0.924 177.133 176.300 -0.153 0.000 1.070 47 R CA -0.481 55.429 56.100 -0.317 0.000 1.112 47 R CB 1.106 31.105 30.300 -0.502 0.000 1.049 47 R HN 0.577 8.847 8.270 -0.000 0.000 0.508 48 E N 1.132 121.272 120.200 -0.100 0.000 2.118 48 E HA -0.234 4.100 4.350 -0.028 0.000 0.195 48 E C 0.902 177.456 176.600 -0.077 0.000 0.992 48 E CA 1.689 58.051 56.400 -0.062 0.000 0.804 48 E CB 0.023 29.699 29.700 -0.040 0.000 0.741 48 E HN 0.625 8.985 8.360 -0.000 0.000 0.458 49 D N -0.031 120.305 120.400 -0.106 0.000 2.363 49 D HA -0.112 4.511 4.640 -0.028 0.000 0.226 49 D C 0.059 176.289 176.300 -0.116 0.000 1.020 49 D CA 0.081 54.020 54.000 -0.100 0.000 0.892 49 D CB 0.038 40.776 40.800 -0.103 0.000 0.900 49 D HN -0.131 8.239 8.370 -0.000 0.000 0.531 50 R N 0.192 120.608 120.500 -0.140 0.000 3.405 50 R HA -0.216 4.107 4.340 -0.028 0.000 0.258 50 R C 1.273 177.480 176.300 -0.156 0.000 1.030 50 R CA 0.406 56.428 56.100 -0.129 0.000 0.691 50 R CB -2.009 28.251 30.300 -0.067 0.000 1.093 50 R HN 0.308 8.578 8.270 -0.000 0.000 0.448 51 R N 1.425 121.763 120.500 -0.271 0.000 2.083 51 R HA -0.182 4.141 4.340 -0.028 0.000 0.237 51 R C 1.478 177.691 176.300 -0.145 0.000 1.137 51 R CA 2.788 58.739 56.100 -0.248 0.000 0.951 51 R CB -0.009 30.075 30.300 -0.361 0.000 0.851 51 R HN 0.774 9.044 8.270 -0.000 0.000 0.434 52 H N -1.650 117.402 119.070 -0.030 0.000 3.309 52 H HA 0.334 4.855 4.556 -0.059 0.000 0.195 52 H C 0.667 175.991 175.328 -0.008 0.000 1.202 52 H CA -0.665 55.381 56.048 -0.003 0.000 1.470 52 H CB -0.613 29.173 29.762 0.041 0.000 1.411 52 H HN -0.130 8.150 8.280 -0.000 0.000 0.477 53 I N 3.738 124.550 120.570 0.404 0.000 2.710 53 I HA 0.086 4.239 4.170 -0.028 0.000 0.286 53 I C 0.782 176.952 176.117 0.089 0.000 1.181 53 I CA 0.588 61.999 61.300 0.184 0.000 1.430 53 I CB 0.227 38.335 38.000 0.180 0.000 1.367 53 I HN 0.747 8.957 8.210 -0.000 0.000 0.577 54 T N 1.171 115.755 114.554 0.050 0.000 2.905 54 T HA 0.358 4.692 4.350 -0.028 0.000 0.283 54 T C 0.745 175.456 174.700 0.019 0.000 1.031 54 T CA -0.729 61.383 62.100 0.021 0.000 1.002 54 T CB 1.717 70.593 68.868 0.013 0.000 1.200 54 T HN 0.430 8.670 8.240 -0.000 0.000 0.560 55 D N -0.256 120.150 120.400 0.010 0.000 2.117 55 D HA -0.089 4.535 4.640 -0.028 0.000 0.197 55 D C 2.060 178.367 176.300 0.011 0.000 0.987 55 D CA 0.950 54.956 54.000 0.010 0.000 0.829 55 D CB -0.228 40.575 40.800 0.005 0.000 0.961 55 D HN 0.539 8.909 8.370 -0.000 0.000 0.460 56 R N 0.837 121.344 120.500 0.011 0.000 2.083 56 R HA -0.164 4.160 4.340 -0.028 0.000 0.237 56 R C 1.292 177.600 176.300 0.014 0.000 1.137 56 R CA 1.574 57.681 56.100 0.012 0.000 0.951 56 R CB -0.127 30.181 30.300 0.013 0.000 0.851 56 R HN 0.092 8.362 8.270 -0.000 0.000 0.434 57 D N 0.053 120.463 120.400 0.017 0.000 2.092 57 D HA -0.153 4.471 4.640 -0.028 0.000 0.193 57 D C 2.026 178.332 176.300 0.009 0.000 0.994 57 D CA 1.525 55.534 54.000 0.016 0.000 0.828 57 D CB -0.396 40.419 40.800 0.025 0.000 0.963 57 D HN 0.108 8.478 8.370 -0.000 0.000 0.450 58 V N 1.017 120.940 119.914 0.014 0.000 2.287 58 V HA -0.261 3.842 4.120 -0.028 0.000 0.248 58 V C 2.588 178.684 176.094 0.004 0.000 1.053 58 V CA 1.958 64.264 62.300 0.010 0.000 1.027 58 V CB -0.545 31.289 31.823 0.017 0.000 0.646 58 V HN 0.142 8.332 8.190 -0.000 0.000 0.447 59 R N 0.206 120.710 120.500 0.006 0.000 2.080 59 R HA -0.173 4.151 4.340 -0.028 0.000 0.236 59 R C 2.247 178.548 176.300 0.003 0.000 1.137 59 R CA 2.230 58.333 56.100 0.005 0.000 0.943 59 R CB -0.382 29.923 30.300 0.008 0.000 0.846 59 R HN 0.490 8.760 8.270 -0.000 0.000 0.431 60 I N 0.495 121.068 120.570 0.005 0.000 2.202 60 I HA -0.243 3.910 4.170 -0.028 0.000 0.242 60 I C 2.056 178.163 176.117 -0.016 0.000 1.091 60 I CA 0.515 61.818 61.300 0.005 0.000 1.368 60 I CB -0.289 37.722 38.000 0.018 0.000 1.058 60 I HN 0.205 8.415 8.210 -0.000 0.000 0.410 61 L N 0.816 122.021 121.223 -0.029 0.000 2.043 61 L HA -0.230 4.093 4.340 -0.028 0.000 0.212 61 L C 2.587 179.420 176.870 -0.062 0.000 1.075 61 L CA 1.729 56.529 54.840 -0.066 0.000 0.752 61 L CB -1.202 40.826 42.059 -0.053 0.000 0.891 61 L HN 0.183 8.413 8.230 -0.000 0.000 0.432 62 R N -0.334 120.147 120.500 -0.032 0.000 2.159 62 R HA -0.158 4.166 4.340 -0.028 0.000 0.237 62 R C 2.095 178.379 176.300 -0.026 0.000 1.131 62 R CA 1.423 57.508 56.100 -0.024 0.000 0.982 62 R CB -0.145 30.149 30.300 -0.010 0.000 0.868 62 R HN 0.536 8.806 8.270 -0.000 0.000 0.453 63 Q N -1.962 117.825 119.800 -0.022 0.000 2.396 63 Q HA 0.055 4.378 4.340 -0.028 0.000 0.209 63 Q C 1.202 177.193 176.000 -0.015 0.000 0.906 63 Q CA 1.286 57.083 55.803 -0.010 0.000 0.927 63 Q CB 0.848 29.590 28.738 0.008 0.000 1.069 63 Q HN 0.506 8.776 8.270 -0.000 0.000 0.523 64 T N -2.446 112.072 114.554 -0.060 0.000 3.014 64 T HA 0.241 4.574 4.350 -0.028 0.000 0.250 64 T C 0.716 175.256 174.700 -0.267 0.000 1.060 64 T CA -0.316 61.717 62.100 -0.112 0.000 1.040 64 T CB 0.030 68.812 68.868 -0.144 0.000 0.971 64 T HN -0.027 8.213 8.240 -0.000 0.000 0.497 65 L N 2.497 123.584 121.223 -0.227 0.000 2.525 65 L HA 0.196 4.519 4.340 -0.028 0.000 0.278 65 L C 1.425 178.221 176.870 -0.123 0.000 1.218 65 L CA 0.093 54.803 54.840 -0.217 0.000 0.878 65 L CB 0.422 42.399 42.059 -0.137 0.000 1.127 65 L HN 0.169 8.399 8.230 -0.000 0.000 0.492 66 D N -0.223 120.116 120.400 -0.101 0.000 2.346 66 D HA -0.067 4.556 4.640 -0.028 0.000 0.206 66 D C 1.393 177.671 176.300 -0.036 0.000 1.001 66 D CA 0.986 54.969 54.000 -0.028 0.000 0.871 66 D CB 0.511 41.326 40.800 0.025 0.000 0.943 66 D HN 0.752 9.122 8.370 -0.000 0.000 0.518 67 T N -2.374 112.148 114.554 -0.054 0.000 2.757 67 T HA 0.462 4.796 4.350 -0.028 0.000 0.179 67 T C -0.008 174.644 174.700 -0.080 0.000 0.705 67 T CA -0.390 61.675 62.100 -0.058 0.000 1.952 67 T CB 0.333 69.175 68.868 -0.044 0.000 2.670 67 T HN 0.019 8.259 8.240 -0.000 0.000 0.404 68 R N -0.450 120.010 120.500 -0.066 0.000 2.692 68 R HA 0.653 4.977 4.340 -0.028 0.000 0.269 68 R C -1.169 175.141 176.300 0.017 0.000 1.030 68 R CA -0.786 55.280 56.100 -0.057 0.000 0.882 68 R CB 0.917 31.105 30.300 -0.186 0.000 1.250 68 R HN 0.667 8.937 8.270 -0.000 0.000 0.465 69 M N 1.678 121.305 119.600 0.045 0.000 2.264 69 M HA 0.463 4.927 4.480 -0.028 0.000 0.352 69 M C -0.963 175.423 176.300 0.144 0.000 1.173 69 M CA -0.444 54.893 55.300 0.062 0.000 1.075 69 M CB 1.359 33.977 32.600 0.030 0.000 1.621 69 M HN 0.728 9.018 8.290 -0.000 0.000 0.457 70 N N 5.212 123.980 118.700 0.112 0.000 2.479 70 N HA 0.330 5.054 4.740 -0.028 0.000 0.261 70 N C -2.005 173.535 175.510 0.050 0.000 0.979 70 N CA -0.419 52.705 53.050 0.123 0.000 0.930 70 N CB 1.090 39.596 38.487 0.032 0.000 1.172 70 N HN 0.850 9.230 8.380 -0.000 0.000 0.499 71 L N 2.555 123.810 121.223 0.053 0.000 2.261 71 L HA 0.359 4.683 4.340 -0.028 0.000 0.289 71 L C 0.052 176.920 176.870 -0.004 0.000 1.059 71 L CA -0.454 54.404 54.840 0.031 0.000 0.816 71 L CB 0.485 42.566 42.059 0.036 0.000 1.191 71 L HN 0.573 8.803 8.230 -0.000 0.000 0.431 72 E N 6.088 126.266 120.200 -0.037 0.000 2.283 72 E HA 0.489 4.823 4.350 -0.028 0.000 0.278 72 E C -0.602 175.924 176.600 -0.123 0.000 1.027 72 E CA -0.197 56.095 56.400 -0.180 0.000 0.843 72 E CB 1.150 30.630 29.700 -0.366 0.000 1.062 72 E HN 0.536 8.896 8.360 -0.000 0.000 0.401 73 M N 0.514 120.025 119.600 -0.147 0.000 2.643 73 M HA 0.620 5.083 4.480 -0.028 0.000 0.276 73 M C -1.445 174.845 176.300 -0.016 0.000 1.200 73 M CA -1.046 54.256 55.300 0.004 0.000 0.863 73 M CB 1.305 33.932 32.600 0.045 0.000 1.711 73 M HN 0.363 8.653 8.290 -0.000 0.000 0.492 74 A N 1.129 123.978 122.820 0.048 0.000 2.287 74 A HA 0.659 4.962 4.320 -0.028 0.000 0.273 74 A C -0.014 177.583 177.584 0.021 0.000 1.091 74 A CA -0.692 51.363 52.037 0.029 0.000 0.817 74 A CB 0.579 19.608 19.000 0.048 0.000 1.069 74 A HN 0.791 8.941 8.150 -0.000 0.000 0.492 75 V N 2.438 122.362 119.914 0.017 0.000 2.223 75 V HA 0.334 4.437 4.120 -0.028 0.000 0.249 75 V C 0.622 176.725 176.094 0.015 0.000 1.233 75 V CA 0.465 62.775 62.300 0.016 0.000 1.131 75 V CB -1.085 30.748 31.823 0.017 0.000 1.298 75 V HN 1.021 9.211 8.190 -0.000 0.000 0.498 76 T N -1.178 113.385 114.554 0.015 0.000 2.916 76 T HA 0.510 4.844 4.350 -0.028 0.000 0.292 76 T C 0.735 175.441 174.700 0.010 0.000 1.064 76 T CA -0.506 61.601 62.100 0.012 0.000 1.011 76 T CB 2.484 71.359 68.868 0.011 0.000 1.152 76 T HN 0.250 8.490 8.240 -0.000 0.000 0.510 77 E N 0.679 120.884 120.200 0.007 0.000 2.038 77 E HA -0.202 4.131 4.350 -0.028 0.000 0.195 77 E C 1.851 178.455 176.600 0.006 0.000 1.000 77 E CA 2.168 58.572 56.400 0.006 0.000 0.803 77 E CB -0.351 29.352 29.700 0.004 0.000 0.750 77 E HN 0.830 9.190 8.360 -0.000 0.000 0.448 78 E N -0.721 119.482 120.200 0.005 0.000 2.033 78 E HA -0.248 4.085 4.350 -0.028 0.000 0.199 78 E C 1.924 178.528 176.600 0.008 0.000 1.011 78 E CA 1.908 58.311 56.400 0.005 0.000 0.815 78 E CB -0.128 29.573 29.700 0.003 0.000 0.755 78 E HN 0.268 8.628 8.360 -0.000 0.000 0.451 79 M N 0.390 119.998 119.600 0.012 0.000 2.159 79 M HA -0.126 4.337 4.480 -0.028 0.000 0.263 79 M C 2.490 178.799 176.300 0.014 0.000 1.063 79 M CA 1.129 56.439 55.300 0.017 0.000 1.110 79 M CB -0.949 31.666 32.600 0.026 0.000 1.374 79 M HN 0.228 8.518 8.290 -0.000 0.000 0.411 80 L N -0.380 120.850 121.223 0.011 0.000 2.083 80 L HA -0.159 4.164 4.340 -0.028 0.000 0.209 80 L C 2.754 179.627 176.870 0.005 0.000 1.083 80 L CA 1.084 55.929 54.840 0.008 0.000 0.752 80 L CB -0.966 41.097 42.059 0.007 0.000 0.899 80 L HN 0.262 8.492 8.230 -0.000 0.000 0.433 81 A N 0.563 123.386 122.820 0.005 0.000 1.858 81 A HA -0.184 4.119 4.320 -0.028 0.000 0.216 81 A C 2.220 179.806 177.584 0.003 0.000 1.190 81 A CA 1.511 53.549 52.037 0.003 0.000 0.617 81 A CB -0.678 18.323 19.000 0.003 0.000 0.827 81 A HN 0.308 8.458 8.150 -0.000 0.000 0.443 82 I N -0.156 120.417 120.570 0.006 0.000 2.151 82 I HA -0.350 3.804 4.170 -0.028 0.000 0.243 82 I C 3.018 179.139 176.117 0.007 0.000 1.080 82 I CA 1.252 62.557 61.300 0.007 0.000 1.339 82 I CB -0.440 37.567 38.000 0.011 0.000 1.039 82 I HN 0.390 8.600 8.210 -0.000 0.000 0.409 83 A N 0.466 123.291 122.820 0.008 0.000 1.883 83 A HA -0.178 4.125 4.320 -0.028 0.000 0.217 83 A C 2.426 180.009 177.584 -0.002 0.000 1.186 83 A CA 2.043 54.084 52.037 0.006 0.000 0.624 83 A CB -1.077 17.928 19.000 0.008 0.000 0.822 83 A HN 0.253 8.403 8.150 -0.000 0.000 0.444 84 V N 0.127 120.039 119.914 -0.003 0.000 2.287 84 V HA -0.289 3.814 4.120 -0.028 0.000 0.248 84 V C 2.622 178.712 176.094 -0.008 0.000 1.053 84 V CA 2.587 64.883 62.300 -0.008 0.000 1.027 84 V CB -0.819 31.000 31.823 -0.006 0.000 0.646 84 V HN 0.778 8.968 8.190 -0.000 0.000 0.447 85 E N 0.490 120.687 120.200 -0.004 0.000 2.051 85 E HA -0.190 4.143 4.350 -0.028 0.000 0.192 85 E C 2.156 178.754 176.600 -0.004 0.000 0.991 85 E CA 2.150 58.548 56.400 -0.003 0.000 0.799 85 E CB -0.482 29.217 29.700 -0.001 0.000 0.748 85 E HN 0.577 8.937 8.360 -0.000 0.000 0.449 86 T N -0.072 114.481 114.554 -0.002 0.000 2.867 86 T HA -0.069 4.264 4.350 -0.028 0.000 0.268 86 T C 0.508 175.204 174.700 -0.006 0.000 1.057 86 T CA 1.150 63.249 62.100 -0.001 0.000 1.136 86 T CB -0.191 68.680 68.868 0.004 0.000 0.874 86 T HN 0.127 8.367 8.240 -0.000 0.000 0.466 87 K N 0.463 120.855 120.400 -0.012 0.000 3.125 87 K HA -0.102 4.202 4.320 -0.028 0.000 0.268 87 K C -2.858 173.727 176.600 -0.025 0.000 1.078 87 K CA 0.122 56.394 56.287 -0.024 0.000 0.775 87 K CB -1.524 30.962 32.500 -0.023 0.000 1.253 87 K HN 0.357 8.607 8.250 -0.000 0.000 0.486 88 P HA -0.010 4.410 4.420 -0.000 0.000 0.270 88 P C 0.599 177.879 177.300 -0.033 0.000 1.223 88 P CA -0.110 62.991 63.100 0.002 0.000 0.785 88 P CB 0.634 32.349 31.700 0.025 0.000 0.923 89 H N 0.677 119.659 119.070 -0.148 0.000 2.389 89 H HA 0.092 4.631 4.556 -0.028 0.000 0.299 89 H C -0.044 174.970 175.328 -0.524 0.000 1.081 89 H CA 1.386 57.227 56.048 -0.345 0.000 1.345 89 H CB -0.079 29.437 29.762 -0.410 0.000 1.393 89 H HN 0.279 8.559 8.280 -0.000 0.000 0.520 90 F N -1.350 118.617 119.950 0.029 0.000 2.577 90 F HA 0.451 4.961 4.527 -0.028 0.000 0.318 90 F C -0.743 175.019 175.800 -0.064 0.000 1.065 90 F CA -1.036 56.923 58.000 -0.068 0.000 0.929 90 F CB 1.719 40.661 39.000 -0.097 0.000 1.237 90 F HN -0.105 8.195 8.300 -0.000 0.000 0.468 91 C N 1.670 121.064 119.300 0.157 0.000 2.535 91 C HA 0.569 5.012 4.460 -0.028 0.000 0.319 91 C C -0.917 174.094 174.990 0.034 0.000 1.171 91 C CA -1.070 57.987 59.018 0.064 0.000 1.394 91 C CB 0.752 28.514 27.740 0.036 0.000 1.990 91 C HN 0.911 9.141 8.230 -0.000 0.000 0.466 92 C N 7.002 126.296 119.300 -0.010 0.000 2.291 92 C HA 0.604 5.047 4.460 -0.028 0.000 0.322 92 C C -0.289 174.672 174.990 -0.048 0.000 1.205 92 C CA -0.566 58.433 59.018 -0.031 0.000 1.495 92 C CB -1.195 26.501 27.740 -0.074 0.000 2.127 92 C HN 0.839 9.069 8.230 -0.000 0.000 0.452 93 L N 7.327 128.550 121.223 -0.000 0.000 2.319 93 L HA 0.594 4.918 4.340 -0.028 0.000 0.280 93 L C 0.378 177.248 176.870 0.001 0.000 1.099 93 L CA 0.000 54.837 54.840 -0.005 0.000 0.828 93 L CB 0.663 42.736 42.059 0.023 0.000 1.150 93 L HN 0.617 8.847 8.230 -0.000 0.000 0.442 94 V N 1.647 121.521 119.914 -0.067 0.000 3.102 94 V HA 0.707 4.811 4.120 -0.028 0.000 0.312 94 V C -2.715 173.356 176.094 -0.037 0.000 1.135 94 V CA -2.564 59.683 62.300 -0.089 0.000 1.022 94 V CB 1.865 33.469 31.823 -0.365 0.000 1.056 94 V HN 0.451 8.641 8.190 -0.000 0.000 0.436 95 P HA 0.355 4.775 4.420 -0.000 0.000 0.272 95 P C -0.375 176.932 177.300 0.011 0.000 1.223 95 P CA -0.053 63.056 63.100 0.015 0.000 0.784 95 P CB 0.486 32.207 31.700 0.035 0.000 0.923 105 G N 1.199 110.127 108.800 0.213 0.000 2.234 105 G HA2 -0.071 3.872 3.960 -0.028 0.000 0.153 105 G HA3 -0.071 3.872 3.960 -0.028 0.000 0.153 105 G C 0.280 175.305 174.900 0.208 0.000 1.013 105 G CA -0.241 44.988 45.100 0.215 0.000 0.712 105 G HN 0.386 8.676 8.290 -0.000 0.000 0.491 106 G N -0.460 108.445 108.800 0.175 0.000 2.528 106 G HA2 0.612 4.556 3.960 -0.028 0.000 0.289 106 G HA3 0.612 4.556 3.960 -0.028 0.000 0.289 106 G C 0.330 175.290 174.900 0.101 0.000 1.192 106 G CA -0.821 44.331 45.100 0.087 0.000 0.921 106 G HN 0.478 8.768 8.290 -0.000 0.000 0.512 107 L N 0.423 121.708 121.223 0.103 0.000 2.456 107 L HA 0.059 4.382 4.340 -0.028 0.000 0.272 107 L C 0.047 176.944 176.870 0.044 0.000 1.189 107 L CA -0.287 54.598 54.840 0.076 0.000 0.846 107 L CB 0.911 43.015 42.059 0.074 0.000 1.111 107 L HN 0.465 8.695 8.230 -0.000 0.000 0.475 108 D N 3.126 123.550 120.400 0.039 0.000 2.453 108 D HA 0.127 4.750 4.640 -0.028 0.000 0.223 108 D C 0.613 176.929 176.300 0.026 0.000 1.183 108 D CA -0.225 53.793 54.000 0.029 0.000 0.933 108 D CB 1.102 41.918 40.800 0.027 0.000 1.038 108 D HN 0.204 8.574 8.370 -0.000 0.000 0.513 109 V N 3.642 123.570 119.914 0.024 0.000 2.500 109 V HA -0.034 4.070 4.120 -0.028 0.000 0.243 109 V C 2.460 178.566 176.094 0.020 0.000 1.039 109 V CA 1.362 63.675 62.300 0.022 0.000 1.053 109 V CB -0.571 31.265 31.823 0.021 0.000 0.695 109 V HN 0.620 8.809 8.190 -0.000 0.000 0.463 110 A N 0.544 123.376 122.820 0.021 0.000 2.076 110 A HA -0.063 4.240 4.320 -0.028 0.000 0.220 110 A C 2.049 179.644 177.584 0.017 0.000 1.160 110 A CA 1.825 53.874 52.037 0.020 0.000 0.653 110 A CB -0.665 18.348 19.000 0.021 0.000 0.801 110 A HN 0.585 8.735 8.150 -0.000 0.000 0.455 111 G N -1.997 106.813 108.800 0.017 0.000 3.277 111 G HA2 0.361 4.304 3.960 -0.028 0.000 0.243 111 G HA3 0.361 4.304 3.960 -0.028 0.000 0.243 111 G C 0.515 175.423 174.900 0.014 0.000 1.107 111 G CA 0.048 45.157 45.100 0.015 0.000 0.771 111 G HN 0.527 8.817 8.290 -0.000 0.000 0.544 112 Q N -0.191 119.618 119.800 0.015 0.000 2.248 112 Q HA 0.228 4.551 4.340 -0.028 0.000 0.324 112 Q C 1.284 177.292 176.000 0.013 0.000 0.867 112 Q CA -0.428 55.384 55.803 0.014 0.000 1.101 112 Q CB 0.693 29.441 28.738 0.016 0.000 1.328 112 Q HN 0.246 8.516 8.270 -0.000 0.000 0.408 113 R N 0.684 121.191 120.500 0.013 0.000 2.113 113 R HA -0.196 4.127 4.340 -0.028 0.000 0.244 113 R C 1.138 177.444 176.300 0.010 0.000 1.142 113 R CA 1.915 58.022 56.100 0.011 0.000 0.953 113 R CB -0.015 30.292 30.300 0.010 0.000 0.860 113 R HN 0.302 8.572 8.270 -0.000 0.000 0.438 114 D N 0.290 120.695 120.400 0.009 0.000 2.084 114 D HA -0.174 4.450 4.640 -0.028 0.000 0.194 114 D C 1.738 178.043 176.300 0.008 0.000 0.990 114 D CA 1.097 55.101 54.000 0.007 0.000 0.826 114 D CB -0.187 40.617 40.800 0.006 0.000 0.971 114 D HN 0.191 8.561 8.370 -0.000 0.000 0.453 115 K N 0.156 120.561 120.400 0.010 0.000 2.009 115 K HA -0.145 4.158 4.320 -0.028 0.000 0.210 115 K C 2.025 178.632 176.600 0.012 0.000 1.049 115 K CA 1.104 57.397 56.287 0.010 0.000 0.929 115 K CB -0.016 32.491 32.500 0.012 0.000 0.714 115 K HN -0.032 8.218 8.250 -0.000 0.000 0.440 116 M N 0.678 120.287 119.600 0.014 0.000 2.159 116 M HA -0.138 4.326 4.480 -0.028 0.000 0.263 116 M C 2.201 178.510 176.300 0.014 0.000 1.063 116 M CA 1.438 56.748 55.300 0.016 0.000 1.110 116 M CB -1.120 31.491 32.600 0.019 0.000 1.374 116 M HN 0.231 8.521 8.290 -0.000 0.000 0.411 117 R N 0.465 120.972 120.500 0.011 0.000 2.081 117 R HA -0.160 4.163 4.340 -0.028 0.000 0.235 117 R C 1.579 177.883 176.300 0.007 0.000 1.131 117 R CA 1.630 57.735 56.100 0.008 0.000 0.960 117 R CB -0.017 30.286 30.300 0.006 0.000 0.856 117 R HN 0.306 8.576 8.270 -0.000 0.000 0.436 118 D N 0.278 120.683 120.400 0.007 0.000 2.117 118 D HA -0.123 4.501 4.640 -0.028 0.000 0.198 118 D C 1.761 178.065 176.300 0.007 0.000 0.982 118 D CA 1.456 55.459 54.000 0.006 0.000 0.828 118 D CB -0.306 40.497 40.800 0.005 0.000 0.967 118 D HN 0.364 8.734 8.370 -0.000 0.000 0.464 119 A N 0.750 123.575 122.820 0.009 0.000 1.865 119 A HA -0.208 4.095 4.320 -0.028 0.000 0.217 119 A C 2.604 180.195 177.584 0.012 0.000 1.191 119 A CA 1.585 53.629 52.037 0.011 0.000 0.623 119 A CB -1.068 17.940 19.000 0.014 0.000 0.826 119 A HN 0.358 8.508 8.150 -0.000 0.000 0.444 120 C N -0.690 118.618 119.300 0.014 0.000 2.413 120 C HA -0.083 4.360 4.460 -0.028 0.000 0.276 120 C C 2.722 177.717 174.990 0.010 0.000 1.248 120 C CA 1.370 60.398 59.018 0.017 0.000 1.742 120 C CB -1.027 26.725 27.740 0.020 0.000 2.017 120 C HN 0.724 8.954 8.230 -0.000 0.000 0.481 121 K N 0.778 121.181 120.400 0.006 0.000 2.057 121 K HA -0.165 4.138 4.320 -0.028 0.000 0.206 121 K C 2.375 178.974 176.600 -0.002 0.000 1.050 121 K CA 1.227 57.515 56.287 0.001 0.000 0.935 121 K CB -0.269 32.231 32.500 -0.000 0.000 0.715 121 K HN 0.411 8.661 8.250 -0.000 0.000 0.439 122 R N 0.618 121.118 120.500 -0.000 0.000 2.073 122 R HA -0.083 4.240 4.340 -0.028 0.000 0.234 122 R C 2.343 178.640 176.300 -0.005 0.000 1.134 122 R CA 1.396 57.495 56.100 -0.002 0.000 0.952 122 R CB -0.196 30.105 30.300 0.000 0.000 0.850 122 R HN 0.207 8.477 8.270 -0.000 0.000 0.433 123 L N -0.096 121.125 121.223 -0.003 0.000 2.109 123 L HA -0.052 4.271 4.340 -0.028 0.000 0.207 123 L C 2.673 179.532 176.870 -0.018 0.000 1.086 123 L CA 1.081 55.916 54.840 -0.008 0.000 0.760 123 L CB -0.521 41.539 42.059 0.001 0.000 0.910 123 L HN 0.316 8.546 8.230 -0.000 0.000 0.437 124 A N -0.142 122.671 122.820 -0.012 0.000 1.933 124 A HA -0.227 4.076 4.320 -0.028 0.000 0.218 124 A C 1.875 179.444 177.584 -0.025 0.000 1.175 124 A CA 1.875 53.901 52.037 -0.019 0.000 0.628 124 A CB -0.474 18.521 19.000 -0.008 0.000 0.814 124 A HN 0.330 8.480 8.150 -0.000 0.000 0.444 125 D N 0.037 120.426 120.400 -0.018 0.000 2.218 125 D HA -0.021 4.602 4.640 -0.028 0.000 0.204 125 D C 1.792 178.078 176.300 -0.024 0.000 0.976 125 D CA 1.346 55.334 54.000 -0.018 0.000 0.853 125 D CB -0.220 40.572 40.800 -0.013 0.000 0.939 125 D HN 0.445 8.815 8.370 -0.000 0.000 0.481 126 A N -0.503 122.301 122.820 -0.027 0.000 2.278 126 A HA 0.439 4.742 4.320 -0.028 0.000 0.212 126 A C 1.635 179.189 177.584 -0.049 0.000 1.213 126 A CA 0.825 52.843 52.037 -0.031 0.000 0.840 126 A CB -0.238 18.747 19.000 -0.026 0.000 0.866 126 A HN 0.207 8.357 8.150 -0.000 0.000 0.489 127 G N -0.650 108.115 108.800 -0.059 0.000 2.147 127 G HA2 -0.221 3.722 3.960 -0.028 0.000 0.244 127 G HA3 -0.221 3.722 3.960 -0.028 0.000 0.244 127 G C 0.002 174.815 174.900 -0.145 0.000 1.005 127 G CA 0.335 45.382 45.100 -0.089 0.000 0.713 127 G HN 0.502 8.791 8.290 -0.000 0.000 0.515 128 I N 0.669 121.167 120.570 -0.120 0.000 2.353 128 I HA 0.269 4.423 4.170 -0.028 0.000 0.293 128 I C 0.665 176.707 176.117 -0.124 0.000 0.992 128 I CA -0.594 60.616 61.300 -0.150 0.000 1.268 128 I CB 1.355 39.309 38.000 -0.076 0.000 1.387 128 I HN 0.047 8.257 8.210 -0.000 0.000 0.478 129 Q N 5.160 124.845 119.800 -0.193 0.000 2.314 129 Q HA 0.328 4.651 4.340 -0.028 0.000 0.257 129 Q C -0.795 175.286 176.000 0.135 0.000 0.975 129 Q CA -0.434 55.365 55.803 -0.006 0.000 0.933 129 Q CB 1.942 30.676 28.738 -0.007 0.000 1.195 129 Q HN 0.432 8.702 8.270 -0.000 0.000 0.426 130 V N 2.140 122.140 119.914 0.143 0.000 2.509 130 V HA 0.275 4.378 4.120 -0.028 0.000 0.284 130 V C 0.142 176.340 176.094 0.173 0.000 1.047 130 V CA -0.294 62.081 62.300 0.126 0.000 0.952 130 V CB 1.627 33.499 31.823 0.080 0.000 0.988 130 V HN 0.685 8.875 8.190 -0.000 0.000 0.469 131 S N 5.150 120.913 115.700 0.105 0.000 2.502 131 S HA 0.688 5.141 4.470 -0.028 0.000 0.304 131 S C -0.958 173.698 174.600 0.092 0.000 1.097 131 S CA -0.672 57.597 58.200 0.115 0.000 1.045 131 S CB 0.760 63.953 63.200 -0.012 0.000 1.019 131 S HN 0.564 8.874 8.310 -0.000 0.000 0.481 132 L N 4.871 126.153 121.223 0.099 0.000 2.272 132 L HA 0.499 4.822 4.340 -0.028 0.000 0.289 132 L C -0.450 176.477 176.870 0.094 0.000 1.032 132 L CA -0.727 54.163 54.840 0.084 0.000 0.810 132 L CB 0.947 43.039 42.059 0.056 0.000 1.205 132 L HN 0.698 8.928 8.230 -0.000 0.000 0.422 133 F N 6.453 126.383 119.950 -0.035 0.000 2.434 133 F HA 0.477 4.991 4.527 -0.022 0.000 0.358 133 F C 0.142 175.920 175.800 -0.037 0.000 1.136 133 F CA -0.459 57.507 58.000 -0.057 0.000 1.157 133 F CB 0.213 39.140 39.000 -0.122 0.000 1.167 133 F HN 0.298 8.598 8.300 -0.000 0.000 0.539 134 I N 1.737 122.047 120.570 -0.434 0.000 3.174 134 I HA 0.530 4.683 4.170 -0.028 0.000 0.313 134 I C -0.910 175.025 176.117 -0.303 0.000 1.155 134 I CA -1.256 59.876 61.300 -0.281 0.000 0.977 134 I CB 1.689 39.627 38.000 -0.104 0.000 1.248 134 I HN 0.183 8.393 8.210 -0.000 0.000 0.453 135 D N 2.029 122.350 120.400 -0.133 0.000 2.357 135 D HA 0.258 4.882 4.640 -0.028 0.000 0.242 135 D C 0.203 176.469 176.300 -0.057 0.000 1.153 135 D CA -0.049 53.911 54.000 -0.067 0.000 0.918 135 D CB 1.523 42.316 40.800 -0.013 0.000 1.181 135 D HN 0.745 9.115 8.370 -0.000 0.000 0.435 136 A N 1.581 124.375 122.820 -0.043 0.000 3.048 136 A HA 0.039 4.343 4.320 -0.028 0.000 0.264 136 A C 0.083 177.660 177.584 -0.012 0.000 1.796 136 A CA 0.066 52.088 52.037 -0.025 0.000 1.445 136 A CB -0.442 18.543 19.000 -0.026 0.000 1.074 136 A HN 0.369 8.519 8.150 -0.000 0.000 0.621 137 D N 1.911 122.311 120.400 -0.001 0.000 2.549 137 D HA 0.092 4.716 4.640 -0.028 0.000 0.251 137 D C 0.720 177.039 176.300 0.033 0.000 1.153 137 D CA -0.318 53.684 54.000 0.002 0.000 0.861 137 D CB 1.098 41.898 40.800 -0.000 0.000 1.207 137 D HN 0.517 8.887 8.370 -0.000 0.000 0.543 138 E N 3.222 123.423 120.200 0.002 0.000 2.209 138 E HA -0.247 4.087 4.350 -0.028 0.000 0.196 138 E C 1.204 177.875 176.600 0.119 0.000 0.993 138 E CA 0.855 57.281 56.400 0.042 0.000 0.819 138 E CB -0.003 29.496 29.700 -0.335 0.000 0.745 138 E HN 0.705 9.065 8.360 -0.000 0.000 0.477 139 E N 0.659 120.886 120.200 0.045 0.000 2.072 139 E HA -0.173 4.161 4.350 -0.028 0.000 0.191 139 E C 2.114 178.755 176.600 0.067 0.000 0.985 139 E CA 0.741 57.174 56.400 0.055 0.000 0.801 139 E CB 0.183 29.895 29.700 0.021 0.000 0.750 139 E HN 0.131 8.491 8.360 -0.000 0.000 0.452 140 Q N 0.259 120.090 119.800 0.051 0.000 2.119 140 Q HA -0.109 4.214 4.340 -0.028 0.000 0.201 140 Q C 2.346 178.375 176.000 0.049 0.000 0.972 140 Q CA 0.931 56.757 55.803 0.039 0.000 0.847 140 Q CB -0.125 28.624 28.738 0.019 0.000 0.903 140 Q HN 0.450 8.720 8.270 -0.000 0.000 0.433 141 I N 0.714 121.334 120.570 0.084 0.000 2.202 141 I HA -0.275 3.878 4.170 -0.028 0.000 0.242 141 I C 2.424 178.569 176.117 0.045 0.000 1.091 141 I CA 1.082 62.428 61.300 0.077 0.000 1.368 141 I CB -0.199 37.897 38.000 0.161 0.000 1.058 141 I HN 0.076 8.286 8.210 -0.000 0.000 0.410 142 K N 1.576 122.054 120.400 0.132 0.000 2.032 142 K HA -0.149 4.155 4.320 -0.028 0.000 0.209 142 K C 2.057 178.673 176.600 0.027 0.000 1.048 142 K CA 1.833 58.166 56.287 0.077 0.000 0.927 142 K CB -0.457 32.154 32.500 0.185 0.000 0.712 142 K HN 0.283 8.533 8.250 -0.000 0.000 0.441 143 A N 0.452 123.296 122.820 0.041 0.000 1.902 143 A HA -0.065 4.238 4.320 -0.028 0.000 0.217 143 A C 2.371 179.960 177.584 0.009 0.000 1.181 143 A CA 2.062 54.113 52.037 0.023 0.000 0.623 143 A CB -1.086 17.930 19.000 0.026 0.000 0.818 143 A HN 0.437 8.587 8.150 -0.000 0.000 0.443 144 A N -0.107 122.717 122.820 0.007 0.000 1.902 144 A HA 0.128 4.431 4.320 -0.028 0.000 0.217 144 A C 2.511 180.085 177.584 -0.017 0.000 1.181 144 A CA 2.192 54.229 52.037 0.000 0.000 0.623 144 A CB -1.024 17.977 19.000 0.001 0.000 0.818 144 A HN 1.064 9.214 8.150 -0.000 0.000 0.443 145 A N -0.292 122.503 122.820 -0.041 0.000 1.877 145 A HA -0.180 4.123 4.320 -0.028 0.000 0.216 145 A C 1.931 179.490 177.584 -0.042 0.000 1.186 145 A CA 1.664 53.662 52.037 -0.064 0.000 0.620 145 A CB -0.569 18.364 19.000 -0.112 0.000 0.822 145 A HN 0.630 8.780 8.150 -0.000 0.000 0.443 146 E N -0.288 119.896 120.200 -0.027 0.000 2.110 146 E HA -0.139 4.195 4.350 -0.028 0.000 0.193 146 E C 1.829 178.424 176.600 -0.009 0.000 0.988 146 E CA 1.554 57.944 56.400 -0.016 0.000 0.804 146 E CB -0.314 29.383 29.700 -0.005 0.000 0.745 146 E HN 0.643 9.003 8.360 -0.000 0.000 0.458 147 V N -2.536 117.376 119.914 -0.004 0.000 3.510 147 V HA 0.256 4.360 4.120 -0.028 0.000 0.270 147 V C 1.242 177.337 176.094 0.001 0.000 1.201 147 V CA 0.870 63.171 62.300 0.001 0.000 1.166 147 V CB -0.390 31.438 31.823 0.007 0.000 0.825 147 V HN 0.341 8.531 8.190 -0.000 0.000 0.484 148 G N -0.562 108.234 108.800 -0.006 0.000 2.176 148 G HA2 -0.078 3.865 3.960 -0.028 0.000 0.232 148 G HA3 -0.078 3.865 3.960 -0.028 0.000 0.232 148 G C 0.402 175.305 174.900 0.005 0.000 0.986 148 G CA 0.080 45.177 45.100 -0.005 0.000 0.643 148 G HN 1.730 10.020 8.290 -0.000 0.000 0.522 149 A N 0.998 123.826 122.820 0.014 0.000 2.488 149 A HA 0.632 4.935 4.320 -0.028 0.000 0.249 149 A C -0.021 177.584 177.584 0.035 0.000 1.083 149 A CA -0.145 51.917 52.037 0.042 0.000 0.768 149 A CB 0.581 19.612 19.000 0.052 0.000 1.017 149 A HN 0.180 8.330 8.150 -0.000 0.000 0.496 150 P HA 0.106 4.526 4.420 -0.000 0.000 0.235 150 P C -0.274 176.967 177.300 -0.099 0.000 1.177 150 P CA 0.803 63.909 63.100 0.011 0.000 0.785 150 P CB 0.165 31.926 31.700 0.102 0.000 0.885 151 F N 0.592 120.530 119.950 -0.022 0.000 2.588 151 F HA 0.499 5.011 4.527 -0.026 0.000 0.314 151 F C 0.482 176.263 175.800 -0.031 0.000 1.069 151 F CA -1.231 56.745 58.000 -0.040 0.000 0.931 151 F CB 1.956 40.932 39.000 -0.040 0.000 1.260 151 F HN -0.297 8.003 8.300 -0.000 0.000 0.465 152 I N -0.942 119.736 120.570 0.179 0.000 2.934 152 I HA 0.688 4.841 4.170 -0.028 0.000 0.306 152 I C -1.517 174.659 176.117 0.098 0.000 1.110 152 I CA -0.803 60.552 61.300 0.092 0.000 1.019 152 I CB 2.456 40.467 38.000 0.019 0.000 1.227 152 I HN 0.637 8.847 8.210 -0.000 0.000 0.434 153 E N 4.795 125.023 120.200 0.047 0.000 2.216 153 E HA 0.507 4.840 4.350 -0.028 0.000 0.260 153 E C -1.412 175.115 176.600 -0.121 0.000 0.880 153 E CA -0.751 55.675 56.400 0.043 0.000 0.765 153 E CB 1.801 31.597 29.700 0.160 0.000 1.174 153 E HN 0.670 9.030 8.360 -0.000 0.000 0.417 154 I N 4.126 124.646 120.570 -0.084 0.000 2.471 154 I HA 0.051 4.204 4.170 -0.028 0.000 0.286 154 I C 0.630 176.669 176.117 -0.129 0.000 1.079 154 I CA -0.244 60.975 61.300 -0.135 0.000 1.398 154 I CB 0.511 38.477 38.000 -0.056 0.000 1.403 154 I HN 0.566 8.776 8.210 -0.000 0.000 0.530 155 H N 5.808 124.622 119.070 -0.428 0.000 3.082 155 H HA 0.027 4.566 4.556 -0.029 0.000 0.275 155 H C 0.773 176.098 175.328 -0.005 0.000 1.032 155 H CA -0.360 55.505 56.048 -0.305 0.000 1.477 155 H CB 0.750 30.265 29.762 -0.411 0.000 1.520 155 H HN 0.759 9.039 8.280 -0.000 0.000 0.521 156 T N 0.761 115.516 114.554 0.334 0.000 3.122 156 T HA 0.090 4.423 4.350 -0.028 0.000 0.250 156 T C 2.046 176.901 174.700 0.259 0.000 1.067 156 T CA 0.081 62.317 62.100 0.227 0.000 0.966 156 T CB 0.407 69.399 68.868 0.208 0.000 1.002 156 T HN 0.661 8.901 8.240 -0.000 0.000 0.542 157 G N 1.219 110.164 108.800 0.241 0.000 2.476 157 G HA2 -0.249 3.695 3.960 -0.028 0.000 0.218 157 G HA3 -0.249 3.695 3.960 -0.028 0.000 0.218 157 G C 1.699 176.603 174.900 0.007 0.000 1.164 157 G CA 1.099 46.314 45.100 0.192 0.000 0.768 157 G HN 0.616 8.906 8.290 -0.000 0.000 0.560 158 C N -0.656 118.554 119.300 -0.150 0.000 2.413 158 C HA -0.062 4.381 4.460 -0.028 0.000 0.276 158 C C 2.443 177.449 174.990 0.026 0.000 1.236 158 C CA 0.753 59.734 59.018 -0.061 0.000 1.735 158 C CB -1.254 26.433 27.740 -0.088 0.000 2.031 158 C HN 0.585 8.815 8.230 -0.000 0.000 0.474 159 Y N 2.391 122.666 120.300 -0.042 0.000 2.128 159 Y HA -0.195 4.338 4.550 -0.029 0.000 0.284 159 Y C 2.444 178.350 175.900 0.010 0.000 1.154 159 Y CA 1.840 59.934 58.100 -0.010 0.000 1.149 159 Y CB -0.568 37.892 38.460 -0.000 0.000 0.976 159 Y HN 0.213 8.493 8.280 -0.000 0.000 0.505 160 A N 0.046 122.837 122.820 -0.048 0.000 1.933 160 A HA -0.166 4.138 4.320 -0.028 0.000 0.218 160 A C 1.572 179.086 177.584 -0.116 0.000 1.175 160 A CA 1.901 53.862 52.037 -0.126 0.000 0.628 160 A CB -0.646 18.393 19.000 0.065 0.000 0.814 160 A HN 0.584 8.734 8.150 -0.000 0.000 0.444 161 D N 0.107 120.476 120.400 -0.053 0.000 2.340 161 D HA 0.308 4.931 4.640 -0.028 0.000 0.220 161 D C 0.743 177.009 176.300 -0.057 0.000 1.039 161 D CA 0.647 54.626 54.000 -0.035 0.000 0.866 161 D CB -0.328 40.475 40.800 0.005 0.000 0.913 161 D HN 0.427 8.797 8.370 -0.000 0.000 0.523 162 A N 1.027 123.787 122.820 -0.100 0.000 2.591 162 A HA -0.126 4.177 4.320 -0.028 0.000 0.244 162 A C 1.353 178.897 177.584 -0.067 0.000 1.031 162 A CA 0.383 52.369 52.037 -0.086 0.000 0.767 162 A CB 0.269 19.190 19.000 -0.132 0.000 0.942 162 A HN 0.068 8.218 8.150 -0.000 0.000 0.514 163 K N 0.700 121.075 120.400 -0.041 0.000 2.167 163 K HA -0.000 4.303 4.320 -0.028 0.000 0.203 163 K C 0.921 177.502 176.600 -0.031 0.000 1.052 163 K CA 1.494 57.763 56.287 -0.031 0.000 0.956 163 K CB 0.009 32.497 32.500 -0.019 0.000 0.735 163 K HN 0.919 9.169 8.250 -0.000 0.000 0.451 164 T N -2.377 112.159 114.554 -0.030 0.000 2.916 164 T HA 0.221 4.555 4.350 -0.028 0.000 0.292 164 T C 0.085 174.769 174.700 -0.027 0.000 1.064 164 T CA -0.890 61.195 62.100 -0.024 0.000 1.011 164 T CB 1.778 70.637 68.868 -0.015 0.000 1.152 164 T HN -0.195 8.045 8.240 -0.000 0.000 0.510 165 D N 0.602 120.990 120.400 -0.020 0.000 2.263 165 D HA 0.084 4.707 4.640 -0.028 0.000 0.208 165 D C 2.143 178.443 176.300 -0.001 0.000 0.971 165 D CA 1.464 55.456 54.000 -0.013 0.000 0.867 165 D CB -0.261 40.536 40.800 -0.005 0.000 0.929 165 D HN 0.719 9.089 8.370 -0.000 0.000 0.492 166 A N 0.749 123.569 122.820 -0.001 0.000 1.872 166 A HA -0.063 4.241 4.320 -0.028 0.000 0.214 166 A C 2.281 179.870 177.584 0.008 0.000 1.187 166 A CA 2.028 54.068 52.037 0.005 0.000 0.614 166 A CB -1.068 17.933 19.000 0.002 0.000 0.826 166 A HN 0.259 8.409 8.150 -0.000 0.000 0.442 167 E N -0.359 119.841 120.200 0.000 0.000 2.153 167 E HA -0.263 4.071 4.350 -0.028 0.000 0.194 167 E C 2.000 178.607 176.600 0.013 0.000 0.988 167 E CA 1.653 58.054 56.400 0.002 0.000 0.811 167 E CB -0.746 28.948 29.700 -0.009 0.000 0.746 167 E HN 0.832 9.192 8.360 -0.000 0.000 0.466 168 Q N -0.817 118.983 119.800 -0.000 0.000 2.016 168 Q HA 0.005 4.329 4.340 -0.028 0.000 0.200 168 Q C 2.558 178.622 176.000 0.108 0.000 0.978 168 Q CA 1.418 57.227 55.803 0.010 0.000 0.833 168 Q CB -0.288 28.413 28.738 -0.062 0.000 0.895 168 Q HN 0.550 8.820 8.270 -0.000 0.000 0.427 169 A N 0.662 123.527 122.820 0.075 0.000 1.978 169 A HA -0.271 4.032 4.320 -0.028 0.000 0.220 169 A C 1.962 179.588 177.584 0.071 0.000 1.170 169 A CA 1.750 53.836 52.037 0.081 0.000 0.636 169 A CB -0.697 18.332 19.000 0.049 0.000 0.810 169 A HN 0.605 8.755 8.150 -0.000 0.000 0.448 170 Q N -0.845 118.987 119.800 0.054 0.000 2.046 170 Q HA -0.186 4.137 4.340 -0.028 0.000 0.200 170 Q C 1.896 177.927 176.000 0.051 0.000 0.975 170 Q CA 1.459 57.285 55.803 0.039 0.000 0.836 170 Q CB -0.113 28.640 28.738 0.025 0.000 0.896 170 Q HN 0.614 8.884 8.270 -0.000 0.000 0.428 171 E N 0.633 120.884 120.200 0.085 0.000 2.106 171 E HA -0.158 4.176 4.350 -0.028 0.000 0.192 171 E C 2.063 178.728 176.600 0.108 0.000 0.984 171 E CA 0.490 56.954 56.400 0.106 0.000 0.806 171 E CB -0.202 29.592 29.700 0.158 0.000 0.750 171 E HN 0.416 8.776 8.360 -0.000 0.000 0.458 172 L N 0.559 121.877 121.223 0.158 0.000 1.989 172 L HA -0.198 4.126 4.340 -0.028 0.000 0.211 172 L C 2.300 179.163 176.870 -0.010 0.000 1.071 172 L CA 1.731 56.590 54.840 0.031 0.000 0.749 172 L CB -0.537 41.582 42.059 0.099 0.000 0.890 172 L HN 0.045 8.275 8.230 -0.000 0.000 0.431 173 A N -0.145 122.685 122.820 0.018 0.000 1.940 173 A HA -0.280 4.023 4.320 -0.028 0.000 0.219 173 A C 2.387 179.967 177.584 -0.006 0.000 1.176 173 A CA 1.850 53.889 52.037 0.003 0.000 0.631 173 A CB -0.644 18.361 19.000 0.009 0.000 0.814 173 A HN 0.504 8.654 8.150 -0.000 0.000 0.446 174 R N -0.302 120.197 120.500 -0.002 0.000 2.081 174 R HA -0.073 4.250 4.340 -0.028 0.000 0.235 174 R C 1.942 178.232 176.300 -0.017 0.000 1.131 174 R CA 1.742 57.836 56.100 -0.010 0.000 0.960 174 R CB -0.368 29.929 30.300 -0.005 0.000 0.856 174 R HN 0.559 8.829 8.270 -0.000 0.000 0.436 175 I N 0.616 121.168 120.570 -0.029 0.000 2.202 175 I HA -0.221 3.933 4.170 -0.028 0.000 0.242 175 I C 2.578 178.672 176.117 -0.038 0.000 1.091 175 I CA 1.248 62.520 61.300 -0.047 0.000 1.368 175 I CB -0.399 37.540 38.000 -0.102 0.000 1.058 175 I HN 0.286 8.496 8.210 -0.000 0.000 0.410 176 A N 0.740 123.535 122.820 -0.042 0.000 1.933 176 A HA -0.215 4.089 4.320 -0.028 0.000 0.218 176 A C 2.328 179.911 177.584 -0.002 0.000 1.175 176 A CA 1.607 53.627 52.037 -0.027 0.000 0.628 176 A CB -0.409 18.574 19.000 -0.028 0.000 0.814 176 A HN 0.318 8.468 8.150 -0.000 0.000 0.444 177 K N -0.500 119.900 120.400 0.001 0.000 2.062 177 K HA 0.018 4.322 4.320 -0.028 0.000 0.205 177 K C 2.344 178.975 176.600 0.051 0.000 1.051 177 K CA 0.925 57.221 56.287 0.015 0.000 0.941 177 K CB -0.289 32.206 32.500 -0.008 0.000 0.719 177 K HN 0.429 8.679 8.250 -0.000 0.000 0.440 178 A N 1.693 124.537 122.820 0.041 0.000 1.908 178 A HA -0.167 4.136 4.320 -0.028 0.000 0.218 178 A C 2.376 180.024 177.584 0.107 0.000 1.181 178 A CA 1.976 54.065 52.037 0.087 0.000 0.627 178 A CB -0.702 18.323 19.000 0.041 0.000 0.818 178 A HN 0.340 8.490 8.150 -0.000 0.000 0.445 179 A N -1.003 121.845 122.820 0.047 0.000 1.877 179 A HA -0.112 4.191 4.320 -0.028 0.000 0.216 179 A C 2.316 179.920 177.584 0.033 0.000 1.186 179 A CA 2.375 54.428 52.037 0.025 0.000 0.620 179 A CB -1.379 17.622 19.000 0.002 0.000 0.822 179 A HN 0.437 8.587 8.150 -0.000 0.000 0.443 180 T N -0.778 113.807 114.554 0.052 0.000 2.788 180 T HA -0.133 4.201 4.350 -0.028 0.000 0.268 180 T C 1.603 176.362 174.700 0.097 0.000 1.044 180 T CA 1.559 63.691 62.100 0.054 0.000 1.139 180 T CB -0.375 68.527 68.868 0.057 0.000 0.867 180 T HN 0.451 8.691 8.240 -0.000 0.000 0.454 181 F N 2.347 122.280 119.950 -0.028 0.000 2.102 181 F HA 0.051 4.561 4.527 -0.028 0.000 0.298 181 F C 2.459 178.240 175.800 -0.032 0.000 1.105 181 F CA 0.734 58.718 58.000 -0.027 0.000 1.239 181 F CB -0.964 38.020 39.000 -0.025 0.000 0.991 181 F HN 0.144 8.444 8.300 -0.000 0.000 0.474 182 A N 0.530 123.288 122.820 -0.104 0.000 1.883 182 A HA -0.126 4.177 4.320 -0.028 0.000 0.217 182 A C 2.470 179.924 177.584 -0.217 0.000 1.186 182 A CA 2.251 54.161 52.037 -0.212 0.000 0.624 182 A CB -1.649 17.302 19.000 -0.081 0.000 0.822 182 A HN 0.518 8.668 8.150 -0.000 0.000 0.444 183 A N 0.300 123.039 122.820 -0.134 0.000 1.908 183 A HA -0.124 4.180 4.320 -0.028 0.000 0.218 183 A C 2.493 179.992 177.584 -0.141 0.000 1.181 183 A CA 2.486 54.449 52.037 -0.123 0.000 0.627 183 A CB -1.123 17.834 19.000 -0.071 0.000 0.818 183 A HN 1.175 9.325 8.150 -0.000 0.000 0.445 184 S N -0.903 114.711 115.700 -0.144 0.000 2.440 184 S HA -0.069 4.384 4.470 -0.028 0.000 0.238 184 S C 1.230 175.712 174.600 -0.197 0.000 1.010 184 S CA 1.443 59.562 58.200 -0.135 0.000 0.972 184 S CB -0.338 62.813 63.200 -0.082 0.000 0.774 184 S HN 0.209 8.519 8.310 -0.000 0.000 0.501 185 L N 1.298 122.345 121.223 -0.293 0.000 2.611 185 L HA 0.436 4.760 4.340 -0.028 0.000 0.229 185 L C 1.847 178.604 176.870 -0.189 0.000 1.137 185 L CA 0.656 55.332 54.840 -0.275 0.000 0.901 185 L CB -0.605 41.219 42.059 -0.393 0.000 1.098 185 L HN 0.578 8.808 8.230 -0.000 0.000 0.456 186 G N -0.836 107.863 108.800 -0.169 0.000 2.176 186 G HA2 -0.259 3.684 3.960 -0.028 0.000 0.253 186 G HA3 -0.259 3.684 3.960 -0.028 0.000 0.253 186 G C 0.362 175.153 174.900 -0.181 0.000 0.979 186 G CA 0.098 45.109 45.100 -0.149 0.000 0.641 186 G HN 0.264 8.554 8.290 -0.000 0.000 0.530 187 L N 0.227 121.331 121.223 -0.198 0.000 2.395 187 L HA 0.518 4.841 4.340 -0.028 0.000 0.269 187 L C 0.848 177.544 176.870 -0.289 0.000 1.133 187 L CA -0.496 54.207 54.840 -0.229 0.000 0.812 187 L CB 0.954 42.906 42.059 -0.178 0.000 1.125 187 L HN 0.025 8.255 8.230 -0.000 0.000 0.452 188 K N 1.315 121.424 120.400 -0.483 0.000 2.110 188 K HA 0.558 4.862 4.320 -0.028 0.000 0.263 188 K C -1.012 175.413 176.600 -0.292 0.000 0.975 188 K CA -0.552 55.401 56.287 -0.556 0.000 0.895 188 K CB 2.270 34.022 32.500 -1.246 0.000 1.060 188 K HN 0.334 8.584 8.250 -0.000 0.000 0.448 189 V N 2.675 122.546 119.914 -0.072 0.000 2.540 189 V HA 0.469 4.573 4.120 -0.028 0.000 0.302 189 V C -1.223 174.959 176.094 0.147 0.000 1.035 189 V CA -0.597 61.733 62.300 0.051 0.000 0.873 189 V CB 1.499 33.324 31.823 0.004 0.000 0.992 189 V HN 0.705 8.895 8.190 -0.000 0.000 0.428 190 N N 3.828 122.627 118.700 0.165 0.000 2.563 190 N HA 0.995 5.719 4.740 -0.028 0.000 0.288 190 N C -0.225 175.329 175.510 0.073 0.000 1.246 190 N CA 0.195 53.322 53.050 0.128 0.000 0.946 190 N CB 2.009 40.553 38.487 0.097 0.000 1.213 190 N HN 1.215 9.595 8.380 -0.000 0.000 0.578 191 A N -2.194 120.665 122.820 0.064 0.000 2.483 191 A HA 0.722 5.025 4.320 -0.028 0.000 0.306 191 A C 0.158 177.799 177.584 0.094 0.000 1.137 191 A CA 0.140 52.221 52.037 0.073 0.000 0.626 191 A CB 0.588 19.603 19.000 0.026 0.000 1.352 191 A HN 0.887 9.037 8.150 -0.000 0.000 0.508 192 G N -1.460 107.418 108.800 0.131 0.000 2.813 192 G HA2 -0.034 3.909 3.960 -0.028 0.000 0.194 192 G HA3 -0.034 3.909 3.960 -0.028 0.000 0.194 192 G C 0.205 175.203 174.900 0.162 0.000 1.010 192 G CA 0.341 45.508 45.100 0.112 0.000 0.771 192 G HN 1.444 9.734 8.290 -0.000 0.000 0.485 193 H N 1.434 120.623 119.070 0.198 0.000 2.964 193 H HA 0.367 4.904 4.556 -0.031 0.000 0.328 193 H C 1.594 177.052 175.328 0.218 0.000 1.030 193 H CA 1.862 58.036 56.048 0.211 0.000 1.445 193 H CB 0.491 30.453 29.762 0.333 0.000 1.449 193 H HN 1.311 9.591 8.280 -0.000 0.000 0.581 194 G N 4.609 113.203 108.800 -0.343 0.000 2.184 194 G HA2 -0.272 3.672 3.960 -0.028 0.000 0.264 194 G HA3 -0.272 3.672 3.960 -0.028 0.000 0.264 194 G C 0.536 175.446 174.900 0.017 0.000 0.975 194 G CA 0.345 45.362 45.100 -0.138 0.000 0.642 194 G HN 0.592 8.882 8.290 -0.000 0.000 0.536 195 L N 1.514 122.760 121.223 0.039 0.000 2.456 195 L HA 0.501 4.824 4.340 -0.028 0.000 0.272 195 L C 1.318 178.173 176.870 -0.025 0.000 1.189 195 L CA 0.755 55.628 54.840 0.055 0.000 0.846 195 L CB 0.723 42.806 42.059 0.041 0.000 1.111 195 L HN 0.490 8.720 8.230 -0.000 0.000 0.475 196 T N -2.043 112.503 114.554 -0.014 0.000 2.858 196 T HA 0.322 4.656 4.350 -0.028 0.000 0.285 196 T C 0.795 175.409 174.700 -0.144 0.000 1.052 196 T CA -0.605 61.458 62.100 -0.062 0.000 1.009 196 T CB 0.671 69.594 68.868 0.091 0.000 1.241 196 T HN 0.356 8.596 8.240 -0.000 0.000 0.542 197 Y N -0.397 119.876 120.300 -0.045 0.000 2.403 197 Y HA 0.007 4.538 4.550 -0.032 0.000 0.291 197 Y C 2.327 178.072 175.900 -0.260 0.000 1.143 197 Y CA 1.429 59.427 58.100 -0.170 0.000 1.257 197 Y CB -0.538 37.760 38.460 -0.269 0.000 0.984 197 Y HN 0.779 9.059 8.280 -0.000 0.000 0.550 198 H N -1.423 117.733 119.070 0.144 0.000 2.592 198 H HA 0.098 4.636 4.556 -0.029 0.000 0.265 198 H C 1.130 176.503 175.328 0.076 0.000 0.955 198 H CA 0.745 56.851 56.048 0.097 0.000 1.175 198 H CB 0.141 29.948 29.762 0.074 0.000 1.433 198 H HN 0.487 8.767 8.280 -0.000 0.000 0.537 199 N N -0.475 118.321 118.700 0.161 0.000 2.160 199 N HA -0.007 4.717 4.740 -0.028 0.000 0.226 199 N C 0.883 176.540 175.510 0.244 0.000 1.256 199 N CA 0.141 53.306 53.050 0.192 0.000 0.890 199 N CB 0.482 39.024 38.487 0.091 0.000 1.116 199 N HN 0.037 8.417 8.380 -0.000 0.000 0.517 200 V N 1.705 121.687 119.914 0.113 0.000 2.548 200 V HA -0.116 3.987 4.120 -0.028 0.000 0.249 200 V C 2.223 178.342 176.094 0.041 0.000 1.055 200 V CA 1.632 63.965 62.300 0.055 0.000 1.065 200 V CB -0.387 31.412 31.823 -0.039 0.000 0.681 200 V HN 0.218 8.408 8.190 -0.000 0.000 0.462 201 K N 0.272 120.704 120.400 0.052 0.000 2.032 201 K HA -0.172 4.131 4.320 -0.028 0.000 0.209 201 K C 2.240 178.857 176.600 0.027 0.000 1.048 201 K CA 1.616 57.924 56.287 0.036 0.000 0.927 201 K CB -0.516 32.011 32.500 0.045 0.000 0.712 201 K HN 0.552 8.802 8.250 -0.000 0.000 0.441 202 A N 1.330 124.185 122.820 0.058 0.000 2.024 202 A HA -0.157 4.146 4.320 -0.028 0.000 0.220 202 A C 1.978 179.517 177.584 -0.076 0.000 1.164 202 A CA 1.272 53.321 52.037 0.021 0.000 0.643 202 A CB -0.362 18.694 19.000 0.094 0.000 0.806 202 A HN 0.131 8.281 8.150 -0.000 0.000 0.451 203 I N -0.661 119.836 120.570 -0.120 0.000 2.480 203 I HA -0.065 4.088 4.170 -0.028 0.000 0.251 203 I C 2.798 178.865 176.117 -0.084 0.000 1.124 203 I CA 1.168 62.364 61.300 -0.173 0.000 1.444 203 I CB -1.537 36.338 38.000 -0.208 0.000 1.098 203 I HN 0.330 8.540 8.210 -0.000 0.000 0.428 204 A N 0.844 123.635 122.820 -0.049 0.000 2.067 204 A HA 0.010 4.314 4.320 -0.028 0.000 0.219 204 A C 2.418 179.987 177.584 -0.025 0.000 1.158 204 A CA 1.456 53.474 52.037 -0.033 0.000 0.661 204 A CB -0.500 18.486 19.000 -0.024 0.000 0.801 204 A HN 0.370 8.520 8.150 -0.000 0.000 0.452 205 A N -0.378 122.428 122.820 -0.024 0.000 2.119 205 A HA 0.224 4.528 4.320 -0.028 0.000 0.217 205 A C 0.941 178.514 177.584 -0.019 0.000 1.153 205 A CA 0.073 52.101 52.037 -0.015 0.000 0.692 205 A CB -0.452 18.544 19.000 -0.007 0.000 0.799 205 A HN 0.457 8.607 8.150 -0.000 0.000 0.458 206 I N 1.015 121.567 120.570 -0.031 0.000 2.581 206 I HA 0.031 4.184 4.170 -0.028 0.000 0.285 206 I C -1.461 174.647 176.117 -0.014 0.000 1.129 206 I CA -1.378 59.906 61.300 -0.027 0.000 1.397 206 I CB 1.084 39.059 38.000 -0.043 0.000 1.399 206 I HN 0.097 8.307 8.210 -0.000 0.000 0.537 207 P HA -0.200 4.220 4.420 -0.000 0.000 0.216 207 P C 0.893 178.197 177.300 0.005 0.000 1.150 207 P CA 1.335 64.434 63.100 -0.001 0.000 0.843 207 P CB 0.217 31.917 31.700 -0.000 0.000 0.787 208 E N -1.825 118.377 120.200 0.003 0.000 2.427 208 E HA -0.003 4.330 4.350 -0.028 0.000 0.196 208 E C 0.582 177.199 176.600 0.028 0.000 1.028 208 E CA 0.374 56.779 56.400 0.008 0.000 0.864 208 E CB -0.560 29.138 29.700 -0.004 0.000 0.813 208 E HN 0.196 8.556 8.360 -0.000 0.000 0.514 209 M N 0.769 120.384 119.600 0.025 0.000 2.252 209 M HA -0.032 4.431 4.480 -0.028 0.000 0.348 209 M C 1.229 177.582 176.300 0.088 0.000 1.334 209 M CA 0.831 56.158 55.300 0.046 0.000 1.071 209 M CB 0.279 32.885 32.600 0.010 0.000 1.763 209 M HN 0.193 8.483 8.290 -0.000 0.000 0.452 210 H N 2.110 121.200 119.070 0.033 0.000 2.355 210 H HA 0.254 4.793 4.556 -0.028 0.000 0.312 210 H C -0.299 175.058 175.328 0.049 0.000 1.051 210 H CA 0.728 56.814 56.048 0.064 0.000 1.389 210 H CB 0.955 30.803 29.762 0.144 0.000 1.455 210 H HN 0.746 9.026 8.280 -0.000 0.000 0.575 211 E N 0.583 120.816 120.200 0.056 0.000 2.314 211 E HA 0.369 4.703 4.350 -0.028 0.000 0.272 211 E C -1.491 175.100 176.600 -0.016 0.000 0.884 211 E CA -0.595 55.769 56.400 -0.059 0.000 0.753 211 E CB 2.164 31.823 29.700 -0.068 0.000 1.213 211 E HN 0.224 8.584 8.360 -0.000 0.000 0.432 212 L N 3.768 124.966 121.223 -0.041 0.000 2.287 212 L HA 0.461 4.784 4.340 -0.028 0.000 0.287 212 L C -0.509 176.340 176.870 -0.035 0.000 1.022 212 L CA -0.961 53.865 54.840 -0.023 0.000 0.814 212 L CB 1.241 43.281 42.059 -0.031 0.000 1.217 212 L HN 0.432 8.662 8.230 -0.000 0.000 0.420 213 N N 5.449 124.139 118.700 -0.016 0.000 2.485 213 N HA 0.536 5.259 4.740 -0.028 0.000 0.243 213 N C -0.747 174.754 175.510 -0.016 0.000 0.987 213 N CA -0.110 52.922 53.050 -0.029 0.000 0.940 213 N CB 1.808 40.276 38.487 -0.031 0.000 1.122 213 N HN 0.457 8.837 8.380 -0.000 0.000 0.509 214 I N -0.009 120.533 120.570 -0.047 0.000 2.608 214 I HA 0.482 4.635 4.170 -0.028 0.000 0.295 214 I C 1.091 177.160 176.117 -0.080 0.000 1.049 214 I CA -0.657 60.605 61.300 -0.062 0.000 1.063 214 I CB 2.382 40.326 38.000 -0.093 0.000 1.248 214 I HN 0.465 8.675 8.210 -0.000 0.000 0.424 215 G N 1.868 110.615 108.800 -0.088 0.000 2.451 215 G HA2 -0.014 3.930 3.960 -0.028 0.000 0.188 215 G HA3 -0.014 3.930 3.960 -0.028 0.000 0.188 215 G C 1.262 176.116 174.900 -0.077 0.000 1.512 215 G CA 0.176 45.207 45.100 -0.114 0.000 0.679 215 G HN 0.683 8.973 8.290 -0.000 0.000 0.640 216 H N 1.190 120.184 119.070 -0.127 0.000 2.292 216 H HA -0.214 4.312 4.556 -0.050 0.000 0.292 216 H C 2.687 178.052 175.328 0.063 0.000 1.100 216 H CA 2.242 58.313 56.048 0.037 0.000 1.238 216 H CB -0.139 29.685 29.762 0.103 0.000 1.355 216 H HN 0.288 8.568 8.280 -0.000 0.000 0.484 217 A N 0.806 123.592 122.820 -0.056 0.000 1.972 217 A HA -0.104 4.200 4.320 -0.028 0.000 0.219 217 A C 2.759 180.357 177.584 0.024 0.000 1.169 217 A CA 1.390 53.401 52.037 -0.044 0.000 0.635 217 A CB -0.636 18.341 19.000 -0.038 0.000 0.810 217 A HN 0.472 8.622 8.150 -0.000 0.000 0.446 218 I N -0.073 120.481 120.570 -0.027 0.000 2.202 218 I HA -0.195 3.958 4.170 -0.028 0.000 0.242 218 I C 1.982 178.127 176.117 0.047 0.000 1.091 218 I CA 0.792 62.131 61.300 0.064 0.000 1.368 218 I CB -0.253 37.746 38.000 -0.003 0.000 1.058 218 I HN 0.219 8.429 8.210 -0.000 0.000 0.410 219 I N 0.989 121.545 120.570 -0.024 0.000 2.394 219 I HA -0.138 4.016 4.170 -0.028 0.000 0.251 219 I C 2.652 178.744 176.117 -0.043 0.000 1.136 219 I CA 1.497 62.787 61.300 -0.016 0.000 1.425 219 I CB -2.084 35.923 38.000 0.013 0.000 1.079 219 I HN 0.212 8.422 8.210 -0.000 0.000 0.425 220 G N 0.666 109.388 108.800 -0.129 0.000 2.422 220 G HA2 -0.267 3.677 3.960 -0.028 0.000 0.218 220 G HA3 -0.267 3.677 3.960 -0.028 0.000 0.218 220 G C 1.885 176.770 174.900 -0.024 0.000 1.140 220 G CA 0.637 45.664 45.100 -0.121 0.000 0.775 220 G HN 0.255 8.545 8.290 -0.000 0.000 0.545 221 R N 1.066 121.583 120.500 0.028 0.000 2.075 221 R HA 0.251 4.575 4.340 -0.028 0.000 0.226 221 R C 2.704 178.997 176.300 -0.012 0.000 1.114 221 R CA 1.629 57.731 56.100 0.003 0.000 0.972 221 R CB -0.880 29.429 30.300 0.014 0.000 0.869 221 R HN 0.166 8.436 8.270 -0.000 0.000 0.437 222 A N 0.606 123.434 122.820 0.015 0.000 1.917 222 A HA -0.159 4.144 4.320 -0.028 0.000 0.219 222 A C 2.226 179.813 177.584 0.004 0.000 1.182 222 A CA 2.075 54.118 52.037 0.011 0.000 0.633 222 A CB -1.141 17.873 19.000 0.023 0.000 0.819 222 A HN 0.347 8.497 8.150 -0.000 0.000 0.448 223 V N -3.210 116.707 119.914 0.004 0.000 2.720 223 V HA -0.234 3.870 4.120 -0.028 0.000 0.256 223 V C 2.099 178.193 176.094 0.000 0.000 1.082 223 V CA 2.002 64.307 62.300 0.008 0.000 1.101 223 V CB -0.875 30.955 31.823 0.011 0.000 0.693 223 V HN 0.440 8.630 8.190 -0.000 0.000 0.479 224 M N 1.827 121.422 119.600 -0.009 0.000 2.384 224 M HA 0.056 4.519 4.480 -0.028 0.000 0.258 224 M C 2.379 178.666 176.300 -0.021 0.000 1.130 224 M CA 2.256 57.546 55.300 -0.016 0.000 1.187 224 M CB -1.349 31.236 32.600 -0.026 0.000 1.307 224 M HN 0.682 8.972 8.290 -0.000 0.000 0.468 225 T N -1.925 112.611 114.554 -0.031 0.000 3.060 225 T HA 0.445 4.778 4.350 -0.028 0.000 0.249 225 T C 0.834 175.522 174.700 -0.020 0.000 1.079 225 T CA 0.508 62.588 62.100 -0.034 0.000 1.013 225 T CB 0.004 68.836 68.868 -0.060 0.000 0.975 225 T HN 0.602 8.842 8.240 -0.000 0.000 0.518 226 G N 0.601 109.396 108.800 -0.009 0.000 2.712 226 G HA2 -0.102 3.842 3.960 -0.028 0.000 0.686 226 G HA3 -0.102 3.842 3.960 -0.028 0.000 0.686 226 G C 0.094 174.999 174.900 0.009 0.000 1.181 226 G CA -0.227 44.874 45.100 0.002 0.000 0.762 226 G HN 0.278 8.568 8.290 -0.000 0.000 0.641 227 L N 1.070 122.304 121.223 0.020 0.000 2.056 227 L HA -0.029 4.294 4.340 -0.028 0.000 0.207 227 L C 3.014 179.902 176.870 0.031 0.000 1.078 227 L CA 2.515 57.372 54.840 0.029 0.000 0.749 227 L CB -0.304 41.775 42.059 0.034 0.000 0.901 227 L HN 0.887 9.117 8.230 -0.000 0.000 0.433 228 K N -0.050 120.366 120.400 0.026 0.000 2.020 228 K HA -0.255 4.048 4.320 -0.028 0.000 0.212 228 K C 1.618 178.232 176.600 0.023 0.000 1.050 228 K CA 2.198 58.500 56.287 0.025 0.000 0.929 228 K CB -0.069 32.442 32.500 0.019 0.000 0.714 228 K HN 0.297 8.547 8.250 -0.000 0.000 0.443 229 D N 0.142 120.549 120.400 0.012 0.000 2.144 229 D HA -0.109 4.514 4.640 -0.028 0.000 0.200 229 D C 1.797 178.105 176.300 0.015 0.000 0.978 229 D CA 1.249 55.251 54.000 0.003 0.000 0.833 229 D CB -0.243 40.546 40.800 -0.019 0.000 0.961 229 D HN 0.385 8.755 8.370 -0.000 0.000 0.470 230 A N 0.614 123.451 122.820 0.027 0.000 1.908 230 A HA -0.159 4.144 4.320 -0.028 0.000 0.218 230 A C 2.535 180.219 177.584 0.166 0.000 1.181 230 A CA 1.380 53.471 52.037 0.092 0.000 0.627 230 A CB -0.765 18.294 19.000 0.098 0.000 0.818 230 A HN 0.154 8.304 8.150 -0.000 0.000 0.445 231 V N -0.309 119.660 119.914 0.092 0.000 2.307 231 V HA -0.199 3.904 4.120 -0.028 0.000 0.245 231 V C 3.064 179.197 176.094 0.065 0.000 1.045 231 V CA 1.865 64.206 62.300 0.069 0.000 1.024 231 V CB -1.211 30.634 31.823 0.036 0.000 0.651 231 V HN 0.616 8.806 8.190 -0.000 0.000 0.449 232 A N -0.617 122.234 122.820 0.052 0.000 1.940 232 A HA -0.213 4.090 4.320 -0.028 0.000 0.219 232 A C 2.207 179.825 177.584 0.056 0.000 1.176 232 A CA 1.681 53.742 52.037 0.040 0.000 0.631 232 A CB -0.404 18.612 19.000 0.026 0.000 0.814 232 A HN 0.516 8.666 8.150 -0.000 0.000 0.446 233 E N -0.994 119.257 120.200 0.086 0.000 2.051 233 E HA -0.202 4.131 4.350 -0.028 0.000 0.192 233 E C 1.950 178.661 176.600 0.185 0.000 0.991 233 E CA 1.567 58.036 56.400 0.114 0.000 0.799 233 E CB -0.433 29.313 29.700 0.078 0.000 0.748 233 E HN 0.605 8.965 8.360 -0.000 0.000 0.449 234 M N 1.362 121.109 119.600 0.244 0.000 2.080 234 M HA -0.184 4.279 4.480 -0.028 0.000 0.260 234 M C 2.029 178.336 176.300 0.012 0.000 1.068 234 M CA 1.689 57.023 55.300 0.058 0.000 1.109 234 M CB -0.238 32.303 32.600 -0.100 0.000 1.342 234 M HN -0.168 8.122 8.290 -0.000 0.000 0.405 235 K N -0.101 120.310 120.400 0.018 0.000 2.063 235 K HA -0.159 4.145 4.320 -0.028 0.000 0.208 235 K C 2.218 178.823 176.600 0.008 0.000 1.048 235 K CA 1.831 58.119 56.287 0.001 0.000 0.928 235 K CB -0.489 32.012 32.500 0.003 0.000 0.713 235 K HN 0.442 8.692 8.250 -0.000 0.000 0.442 236 R N 0.092 120.606 120.500 0.023 0.000 2.091 236 R HA -0.102 4.221 4.340 -0.028 0.000 0.238 236 R C 2.179 178.491 176.300 0.020 0.000 1.136 236 R CA 1.703 57.815 56.100 0.020 0.000 0.959 236 R CB -0.353 29.962 30.300 0.025 0.000 0.856 236 R HN 0.233 8.503 8.270 -0.000 0.000 0.437 237 L N 0.084 121.324 121.223 0.030 0.000 2.083 237 L HA -0.180 4.143 4.340 -0.028 0.000 0.209 237 L C 2.645 179.520 176.870 0.008 0.000 1.083 237 L CA 1.318 56.173 54.840 0.025 0.000 0.752 237 L CB -0.287 41.796 42.059 0.041 0.000 0.899 237 L HN 0.317 8.547 8.230 -0.000 0.000 0.433 238 M N -0.602 118.996 119.600 -0.004 0.000 2.086 238 M HA -0.220 4.244 4.480 -0.028 0.000 0.261 238 M C 2.229 178.523 176.300 -0.009 0.000 1.067 238 M CA 1.782 57.073 55.300 -0.014 0.000 1.116 238 M CB -0.291 32.292 32.600 -0.027 0.000 1.348 238 M HN 0.209 8.499 8.290 -0.000 0.000 0.407 239 L N -0.664 120.555 121.223 -0.006 0.000 2.156 239 L HA -0.156 4.167 4.340 -0.028 0.000 0.208 239 L C 2.175 179.045 176.870 0.000 0.000 1.095 239 L CA 1.083 55.920 54.840 -0.005 0.000 0.770 239 L CB -0.682 41.375 42.059 -0.004 0.000 0.914 239 L HN 0.357 8.587 8.230 -0.000 0.000 0.439 240 E N 0.464 120.667 120.200 0.005 0.000 2.077 240 E HA -0.217 4.116 4.350 -0.028 0.000 0.193 240 E C 2.328 178.932 176.600 0.008 0.000 0.989 240 E CA 1.235 57.640 56.400 0.008 0.000 0.800 240 E CB -0.102 29.606 29.700 0.013 0.000 0.746 240 E HN 0.480 8.840 8.360 -0.000 0.000 0.452 241 A N 1.178 124.002 122.820 0.007 0.000 1.933 241 A HA -0.176 4.127 4.320 -0.028 0.000 0.218 241 A C 2.038 179.624 177.584 0.002 0.000 1.175 241 A CA 1.088 53.129 52.037 0.006 0.000 0.628 241 A CB -0.261 18.742 19.000 0.005 0.000 0.814 241 A HN 0.023 8.173 8.150 -0.000 0.000 0.444 242 R N -0.110 120.389 120.500 -0.002 0.000 2.092 242 R HA -0.028 4.295 4.340 -0.028 0.000 0.231 242 R C 1.388 177.688 176.300 0.000 0.000 1.119 242 R CA 0.949 57.047 56.100 -0.003 0.000 0.970 242 R CB -1.007 29.289 30.300 -0.007 0.000 0.864 242 R HN 0.490 8.760 8.270 -0.000 0.000 0.440 243 G N 0.000 108.801 108.800 0.002 0.000 5.446 243 G HA2 0.000 3.943 3.960 -0.028 0.000 0.244 243 G HA3 0.000 3.943 3.960 -0.028 0.000 0.244 243 G CA 0.000 45.102 45.100 0.003 0.000 0.502 243 G HN 0.000 8.290 8.290 -0.000 0.000 0.925