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 1ixp_1_D DATA FIRST_RESID 2 DATA SEQUENCE AELLLGVNID HIATLRNARG TAYPDPVQAA FIAEQAGADG ITVHLREDRR DATA SEQUENCE HITDRDVRIL RQTLDTRMNL EMAVTEEMLA IAVETKPHFC CLVPEKRQEV DATA SEQUENCE TTEGGLDVAG 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 0.000 177.590 177.584 0.010 0.000 1.274 2 A CA 0.000 52.056 52.037 0.031 0.000 0.836 2 A CB 0.000 19.028 19.000 0.047 0.000 0.831 3 E N 1.561 121.761 120.200 0.000 0.000 2.366 3 E HA 0.232 4.581 4.350 -0.001 0.000 0.266 3 E C -0.829 175.737 176.600 -0.057 0.000 1.015 3 E CA -0.083 56.304 56.400 -0.021 0.000 0.906 3 E CB 0.601 30.290 29.700 -0.018 0.000 0.979 3 E HN 0.486 8.846 8.360 -0.000 0.000 0.443 4 L N 5.883 127.074 121.223 -0.054 0.000 2.367 4 L HA 0.186 4.525 4.340 -0.001 0.000 0.275 4 L C -0.258 176.551 176.870 -0.102 0.000 1.129 4 L CA -0.088 54.703 54.840 -0.082 0.000 0.839 4 L CB 0.327 42.355 42.059 -0.051 0.000 1.133 4 L HN 0.425 8.655 8.230 -0.000 0.000 0.453 5 L N 4.843 125.970 121.223 -0.161 0.000 2.358 5 L HA 0.493 4.832 4.340 -0.001 0.000 0.268 5 L C -0.693 176.115 176.870 -0.103 0.000 1.032 5 L CA -0.897 53.859 54.840 -0.139 0.000 0.805 5 L CB 1.720 43.657 42.059 -0.203 0.000 1.253 5 L HN 0.474 8.704 8.230 -0.000 0.000 0.452 6 L N 0.650 121.826 121.223 -0.077 0.000 2.404 6 L HA 0.698 5.038 4.340 -0.001 0.000 0.272 6 L C -0.294 176.542 176.870 -0.057 0.000 0.980 6 L CA 0.094 54.896 54.840 -0.064 0.000 0.836 6 L CB 1.572 43.600 42.059 -0.051 0.000 1.238 6 L HN 0.520 8.750 8.230 -0.000 0.000 0.408 7 G N 4.497 113.260 108.800 -0.062 0.000 2.335 7 G HA2 0.565 4.524 3.960 -0.001 0.000 0.316 7 G HA3 0.565 4.524 3.960 -0.001 0.000 0.316 7 G C -1.227 173.644 174.900 -0.049 0.000 1.129 7 G CA -0.461 44.608 45.100 -0.052 0.000 0.899 7 G HN 0.466 8.756 8.290 -0.000 0.000 0.448 8 V N 3.771 123.661 119.914 -0.039 0.000 2.350 8 V HA 0.222 4.342 4.120 -0.001 0.000 0.276 8 V C 0.129 176.197 176.094 -0.044 0.000 1.028 8 V CA -1.275 60.998 62.300 -0.043 0.000 0.860 8 V CB 1.270 33.074 31.823 -0.030 0.000 0.990 8 V HN 0.743 8.933 8.190 -0.000 0.000 0.453 9 N N 5.146 123.809 118.700 -0.062 0.000 2.430 9 N HA 0.232 4.971 4.740 -0.001 0.000 0.265 9 N C 0.544 176.011 175.510 -0.070 0.000 1.100 9 N CA -0.283 52.728 53.050 -0.065 0.000 0.961 9 N CB 1.291 39.724 38.487 -0.090 0.000 1.075 9 N HN 0.801 9.181 8.380 -0.000 0.000 0.478 10 I N -0.156 120.388 120.570 -0.043 0.000 3.941 10 I HA 0.203 4.372 4.170 -0.001 0.000 0.335 10 I C 0.445 176.549 176.117 -0.023 0.000 1.402 10 I CA -0.387 60.897 61.300 -0.026 0.000 1.112 10 I CB 0.197 38.193 38.000 -0.007 0.000 1.043 10 I HN 0.144 8.354 8.210 -0.000 0.000 0.395 11 D N 2.306 122.663 120.400 -0.070 0.000 2.160 11 D HA -0.254 4.385 4.640 -0.001 0.000 0.189 11 D C 1.633 177.884 176.300 -0.082 0.000 1.003 11 D CA 2.035 55.916 54.000 -0.197 0.000 0.846 11 D CB -0.350 40.206 40.800 -0.407 0.000 0.949 11 D HN 0.519 8.889 8.370 -0.000 0.000 0.446 12 H N -0.182 118.780 119.070 -0.179 0.000 2.568 12 H HA -0.015 4.540 4.556 -0.001 0.000 0.281 12 H C 1.841 177.157 175.328 -0.020 0.000 1.028 12 H CA 0.065 56.072 56.048 -0.069 0.000 1.199 12 H CB -0.049 29.720 29.762 0.012 0.000 1.352 12 H HN 0.211 8.491 8.280 -0.000 0.000 0.605 13 I N -0.157 120.467 120.570 0.091 0.000 2.235 13 I HA -0.122 4.047 4.170 -0.001 0.000 0.241 13 I C 2.453 178.604 176.117 0.057 0.000 1.085 13 I CA 1.129 62.470 61.300 0.068 0.000 1.378 13 I CB -1.241 36.792 38.000 0.054 0.000 1.076 13 I HN 0.225 8.435 8.210 -0.000 0.000 0.415 14 A N 0.234 123.087 122.820 0.054 0.000 2.024 14 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 14 A C 2.355 179.974 177.584 0.058 0.000 1.164 14 A CA 2.176 54.250 52.037 0.061 0.000 0.643 14 A CB -0.998 18.063 19.000 0.101 0.000 0.806 14 A HN 0.422 8.572 8.150 -0.000 0.000 0.451 15 T N -0.231 114.349 114.554 0.045 0.000 2.821 15 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 15 T C 1.762 176.457 174.700 -0.008 0.000 1.046 15 T CA 1.463 63.563 62.100 0.000 0.000 1.139 15 T CB -0.239 68.551 68.868 -0.129 0.000 0.871 15 T HN 0.310 8.550 8.240 -0.000 0.000 0.454 16 L N 1.197 122.426 121.223 0.011 0.000 2.109 16 L HA 0.169 4.509 4.340 -0.001 0.000 0.207 16 L C 2.452 179.321 176.870 -0.001 0.000 1.086 16 L CA 1.568 56.419 54.840 0.018 0.000 0.760 16 L CB -0.602 41.485 42.059 0.046 0.000 0.910 16 L HN 0.063 8.293 8.230 -0.000 0.000 0.437 17 R N -0.553 119.942 120.500 -0.008 0.000 2.062 17 R HA -0.166 4.174 4.340 -0.001 0.000 0.231 17 R C 1.880 178.134 176.300 -0.077 0.000 1.136 17 R CA 1.754 57.816 56.100 -0.062 0.000 0.948 17 R CB -0.285 29.988 30.300 -0.045 0.000 0.845 17 R HN 0.359 8.629 8.270 -0.000 0.000 0.430 18 N N 0.712 119.387 118.700 -0.041 0.000 2.430 18 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 18 N C 1.022 176.504 175.510 -0.046 0.000 1.032 18 N CA 1.217 54.242 53.050 -0.042 0.000 0.893 18 N CB -0.191 38.283 38.487 -0.022 0.000 0.957 18 N HN 0.338 8.718 8.380 -0.000 0.000 0.442 19 A N -0.617 122.179 122.820 -0.041 0.000 2.258 19 A HA 0.153 4.473 4.320 -0.001 0.000 0.206 19 A C 1.825 179.383 177.584 -0.043 0.000 1.222 19 A CA 0.654 52.671 52.037 -0.034 0.000 0.822 19 A CB -0.068 18.920 19.000 -0.021 0.000 0.804 19 A HN 0.093 8.243 8.150 -0.000 0.000 0.483 20 R N -3.169 117.290 120.500 -0.067 0.000 2.467 20 R HA 0.205 4.544 4.340 -0.001 0.000 0.253 20 R C 1.008 177.249 176.300 -0.098 0.000 0.910 20 R CA 1.052 57.104 56.100 -0.080 0.000 1.167 20 R CB -0.135 30.104 30.300 -0.101 0.000 1.748 20 R HN 0.785 9.055 8.270 -0.000 0.000 0.465 21 G N 0.913 109.651 108.800 -0.103 0.000 2.155 21 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.257 21 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.257 21 G C 0.312 175.131 174.900 -0.135 0.000 0.983 21 G CA 0.911 45.954 45.100 -0.095 0.000 0.676 21 G HN 0.580 8.870 8.290 -0.000 0.000 0.528 22 T N -3.038 111.373 114.554 -0.239 0.000 2.810 22 T HA 0.734 5.083 4.350 -0.001 0.000 0.277 22 T C 1.477 175.987 174.700 -0.317 0.000 0.973 22 T CA 0.415 62.289 62.100 -0.378 0.000 0.949 22 T CB 1.796 70.112 68.868 -0.921 0.000 1.075 22 T HN 1.271 9.511 8.240 -0.000 0.000 0.537 23 A N -0.355 122.300 122.820 -0.275 0.000 2.303 23 A HA 0.379 4.699 4.320 -0.001 0.000 0.217 23 A C 0.232 177.804 177.584 -0.019 0.000 1.205 23 A CA -0.324 51.664 52.037 -0.082 0.000 0.875 23 A CB -0.575 18.442 19.000 0.029 0.000 0.910 23 A HN 0.840 8.990 8.150 -0.000 0.000 0.501 24 Y N -1.250 119.062 120.300 0.020 0.000 2.468 24 Y HA 0.757 5.307 4.550 -0.001 0.000 0.342 24 Y C -3.034 172.879 175.900 0.022 0.000 1.021 24 Y CA -4.287 53.826 58.100 0.022 0.000 1.079 24 Y CB 0.648 39.120 38.460 0.020 0.000 1.226 24 Y HN -0.107 8.173 8.280 -0.000 0.000 0.460 25 P HA 0.043 4.463 4.420 -0.000 0.000 0.274 25 P C -0.973 176.399 177.300 0.119 0.000 1.231 25 P CA -0.055 63.160 63.100 0.191 0.000 0.790 25 P CB 1.397 33.179 31.700 0.136 0.000 0.951 26 D N 2.814 123.286 120.400 0.119 0.000 2.359 26 D HA 0.192 4.831 4.640 -0.001 0.000 0.230 26 D C -1.595 174.751 176.300 0.075 0.000 1.118 26 D CA -2.411 51.642 54.000 0.088 0.000 0.844 26 D CB 0.980 41.838 40.800 0.097 0.000 1.059 26 D HN 0.026 8.396 8.370 -0.000 0.000 0.493 27 P HA -0.216 4.204 4.420 -0.000 0.000 0.219 27 P C 1.545 178.864 177.300 0.031 0.000 1.153 27 P CA 0.805 63.930 63.100 0.041 0.000 0.865 27 P CB 0.380 32.100 31.700 0.033 0.000 0.788 28 V N -0.453 119.484 119.914 0.039 0.000 2.392 28 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 28 V C 2.630 178.787 176.094 0.105 0.000 1.059 28 V CA 2.074 64.391 62.300 0.028 0.000 1.051 28 V CB -1.197 30.666 31.823 0.067 0.000 0.658 28 V HN 0.249 8.439 8.190 -0.000 0.000 0.455 29 Q N -0.034 119.856 119.800 0.150 0.000 2.049 29 Q HA -0.145 4.194 4.340 -0.001 0.000 0.198 29 Q C 2.324 178.423 176.000 0.164 0.000 0.971 29 Q CA 1.616 57.542 55.803 0.206 0.000 0.833 29 Q CB -0.283 28.538 28.738 0.140 0.000 0.896 29 Q HN 0.588 8.858 8.270 -0.000 0.000 0.434 30 A N 1.182 124.060 122.820 0.096 0.000 1.917 30 A HA -0.228 4.092 4.320 -0.001 0.000 0.219 30 A C 2.322 179.940 177.584 0.055 0.000 1.182 30 A CA 1.992 54.070 52.037 0.069 0.000 0.633 30 A CB -1.193 17.834 19.000 0.046 0.000 0.819 30 A HN 0.594 8.744 8.150 -0.000 0.000 0.448 31 A N -0.959 121.868 122.820 0.012 0.000 1.859 31 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 31 A C 2.048 179.611 177.584 -0.034 0.000 1.198 31 A CA 1.725 53.724 52.037 -0.064 0.000 0.629 31 A CB -0.965 17.925 19.000 -0.184 0.000 0.830 31 A HN 0.529 8.679 8.150 -0.000 0.000 0.446 32 F N -0.157 119.802 119.950 0.014 0.000 2.095 32 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 32 F C 2.266 178.071 175.800 0.009 0.000 1.104 32 F CA 1.508 59.515 58.000 0.011 0.000 1.232 32 F CB -0.377 38.629 39.000 0.011 0.000 0.987 32 F HN 0.143 8.443 8.300 -0.000 0.000 0.475 33 I N -0.011 120.688 120.570 0.215 0.000 2.091 33 I HA -0.394 3.775 4.170 -0.001 0.000 0.239 33 I C 2.669 178.834 176.117 0.081 0.000 1.061 33 I CA 1.503 62.874 61.300 0.118 0.000 1.317 33 I CB -0.797 37.255 38.000 0.087 0.000 1.031 33 I HN 0.135 8.345 8.210 -0.000 0.000 0.401 34 A N 0.076 122.933 122.820 0.062 0.000 1.930 34 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 34 A C 2.179 179.782 177.584 0.032 0.000 1.175 34 A CA 1.591 53.650 52.037 0.036 0.000 0.627 34 A CB -0.594 18.417 19.000 0.018 0.000 0.815 34 A HN 0.480 8.630 8.150 -0.000 0.000 0.443 35 E N -0.468 119.754 120.200 0.037 0.000 2.204 35 E HA -0.170 4.180 4.350 -0.001 0.000 0.194 35 E C 1.595 178.223 176.600 0.046 0.000 0.989 35 E CA 1.014 57.432 56.400 0.031 0.000 0.824 35 E CB -0.093 29.622 29.700 0.025 0.000 0.756 35 E HN 0.725 9.085 8.360 -0.000 0.000 0.477 36 Q N -0.919 118.920 119.800 0.065 0.000 2.280 36 Q HA 0.199 4.538 4.340 -0.001 0.000 0.201 36 Q C 0.723 176.747 176.000 0.039 0.000 0.890 36 Q CA 0.056 55.894 55.803 0.057 0.000 0.947 36 Q CB 1.034 29.817 28.738 0.075 0.000 1.081 36 Q HN 0.095 8.365 8.270 -0.000 0.000 0.502 37 A N -0.857 121.984 122.820 0.034 0.000 2.635 37 A HA 0.559 4.878 4.320 -0.001 0.000 0.279 37 A C 0.973 178.569 177.584 0.021 0.000 1.122 37 A CA 0.349 52.403 52.037 0.027 0.000 0.965 37 A CB 0.618 19.636 19.000 0.030 0.000 1.221 37 A HN 0.289 8.439 8.150 -0.000 0.000 0.566 38 G N -1.589 107.221 108.800 0.015 0.000 2.425 38 G HA2 0.285 4.244 3.960 -0.001 0.000 0.177 38 G HA3 0.285 4.244 3.960 -0.001 0.000 0.177 38 G C 0.427 175.326 174.900 -0.002 0.000 0.999 38 G CA 0.006 45.110 45.100 0.007 0.000 0.723 38 G HN 1.469 9.759 8.290 -0.000 0.000 0.491 39 A N 0.454 123.275 122.820 0.001 0.000 2.354 39 A HA 0.620 4.940 4.320 -0.001 0.000 0.269 39 A C 0.747 178.326 177.584 -0.007 0.000 1.109 39 A CA 0.575 52.607 52.037 -0.008 0.000 0.800 39 A CB 0.448 19.444 19.000 -0.006 0.000 1.045 39 A HN 0.126 8.276 8.150 -0.000 0.000 0.489 40 D N 0.834 121.225 120.400 -0.014 0.000 2.449 40 D HA 0.252 4.891 4.640 -0.001 0.000 0.210 40 D C 0.681 176.983 176.300 0.003 0.000 1.094 40 D CA 1.193 55.188 54.000 -0.009 0.000 0.846 40 D CB 0.940 41.728 40.800 -0.021 0.000 1.003 40 D HN 0.715 9.085 8.370 -0.000 0.000 0.504 41 G N 0.286 109.086 108.800 0.001 0.000 2.660 41 G HA2 0.503 4.462 3.960 -0.001 0.000 0.290 41 G HA3 0.503 4.462 3.960 -0.001 0.000 0.290 41 G C -1.650 173.251 174.900 0.001 0.000 1.432 41 G CA -0.440 44.672 45.100 0.019 0.000 0.807 41 G HN -0.116 8.174 8.290 -0.000 0.000 0.485 42 I N 0.817 121.392 120.570 0.007 0.000 2.465 42 I HA 0.517 4.686 4.170 -0.001 0.000 0.291 42 I C -0.096 176.025 176.117 0.007 0.000 1.014 42 I CA -0.608 60.688 61.300 -0.008 0.000 1.093 42 I CB 1.644 39.627 38.000 -0.029 0.000 1.267 42 I HN 0.333 8.543 8.210 -0.000 0.000 0.431 43 T N 5.829 120.381 114.554 -0.003 0.000 2.823 43 T HA 0.722 5.071 4.350 -0.001 0.000 0.279 43 T C -0.315 174.393 174.700 0.014 0.000 0.998 43 T CA -0.537 61.566 62.100 0.005 0.000 0.994 43 T CB 2.012 70.870 68.868 -0.017 0.000 0.960 43 T HN 0.445 8.685 8.240 -0.000 0.000 0.448 44 V N 0.673 120.613 119.914 0.043 0.000 2.841 44 V HA 0.552 4.672 4.120 -0.001 0.000 0.310 44 V C -0.919 175.269 176.094 0.157 0.000 1.090 44 V CA -1.015 61.333 62.300 0.081 0.000 0.930 44 V CB 1.924 33.790 31.823 0.072 0.000 1.014 44 V HN 1.055 9.245 8.190 -0.000 0.000 0.425 45 H N 4.542 123.664 119.070 0.087 0.000 2.638 45 H HA 0.499 5.054 4.556 -0.001 0.000 0.303 45 H C -0.928 174.492 175.328 0.153 0.000 1.034 45 H CA -0.942 55.174 56.048 0.113 0.000 1.225 45 H CB 1.589 31.430 29.762 0.131 0.000 1.394 45 H HN 0.802 9.082 8.280 -0.000 0.000 0.477 46 L N 7.183 128.546 121.223 0.232 0.000 2.404 46 L HA 0.199 4.539 4.340 -0.001 0.000 0.277 46 L C 0.315 177.144 176.870 -0.068 0.000 1.184 46 L CA -0.107 54.761 54.840 0.047 0.000 1.013 46 L CB -0.400 41.694 42.059 0.058 0.000 1.318 46 L HN 0.669 8.899 8.230 -0.000 0.000 0.435 47 R N 1.604 121.885 120.500 -0.364 0.000 2.694 47 R HA -0.062 4.277 4.340 -0.001 0.000 0.268 47 R C 1.162 177.348 176.300 -0.189 0.000 1.061 47 R CA -0.097 55.763 56.100 -0.400 0.000 1.133 47 R CB 0.773 30.722 30.300 -0.586 0.000 1.020 47 R HN 0.550 8.820 8.270 -0.000 0.000 0.475 48 E N 1.342 121.473 120.200 -0.114 0.000 2.077 48 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 48 E C 0.593 177.140 176.600 -0.089 0.000 0.989 48 E CA 1.757 58.115 56.400 -0.070 0.000 0.800 48 E CB 0.119 29.796 29.700 -0.039 0.000 0.746 48 E HN 0.627 8.987 8.360 -0.000 0.000 0.452 49 D N -0.348 119.981 120.400 -0.119 0.000 2.328 49 D HA -0.061 4.578 4.640 -0.001 0.000 0.226 49 D C -0.025 176.188 176.300 -0.145 0.000 1.066 49 D CA -0.056 53.876 54.000 -0.114 0.000 0.861 49 D CB -0.161 40.576 40.800 -0.105 0.000 0.912 49 D HN -0.042 8.328 8.370 -0.000 0.000 0.521 50 R N 0.217 120.607 120.500 -0.183 0.000 3.387 50 R HA -0.255 4.085 4.340 -0.001 0.000 0.254 50 R C 1.280 177.441 176.300 -0.232 0.000 1.006 50 R CA 0.794 56.775 56.100 -0.197 0.000 0.677 50 R CB -2.775 27.459 30.300 -0.111 0.000 1.063 50 R HN 0.499 8.769 8.270 -0.000 0.000 0.453 51 R N 0.226 120.521 120.500 -0.342 0.000 2.094 51 R HA -0.258 4.081 4.340 -0.001 0.000 0.239 51 R C 1.440 177.608 176.300 -0.220 0.000 1.137 51 R CA 2.500 58.426 56.100 -0.291 0.000 0.943 51 R CB -0.020 30.079 30.300 -0.336 0.000 0.850 51 R HN 0.779 9.049 8.270 -0.000 0.000 0.433 52 H N -1.336 117.685 119.070 -0.082 0.000 3.309 52 H HA 0.318 4.873 4.556 -0.001 0.000 0.195 52 H C 0.406 175.708 175.328 -0.043 0.000 1.202 52 H CA -0.620 55.393 56.048 -0.057 0.000 1.470 52 H CB -0.487 29.250 29.762 -0.042 0.000 1.411 52 H HN -0.101 8.179 8.280 -0.000 0.000 0.477 53 I N 3.775 124.548 120.570 0.338 0.000 2.826 53 I HA 0.038 4.207 4.170 -0.001 0.000 0.295 53 I C 0.767 176.899 176.117 0.024 0.000 1.213 53 I CA 0.690 62.093 61.300 0.171 0.000 1.436 53 I CB -0.148 37.986 38.000 0.224 0.000 1.348 53 I HN 0.756 8.966 8.210 -0.000 0.000 0.570 54 T N 1.422 115.987 114.554 0.018 0.000 2.940 54 T HA 0.347 4.696 4.350 -0.001 0.000 0.288 54 T C 0.833 175.534 174.700 0.001 0.000 1.045 54 T CA -0.807 61.288 62.100 -0.008 0.000 1.018 54 T CB 2.026 70.888 68.868 -0.010 0.000 1.151 54 T HN 0.495 8.735 8.240 -0.000 0.000 0.529 55 D N 0.628 121.024 120.400 -0.006 0.000 2.149 55 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 55 D C 2.168 178.470 176.300 0.004 0.000 0.990 55 D CA 1.463 55.462 54.000 -0.000 0.000 0.839 55 D CB -0.109 40.688 40.800 -0.004 0.000 0.948 55 D HN 0.676 9.046 8.370 -0.000 0.000 0.460 56 R N 1.563 122.065 120.500 0.004 0.000 2.092 56 R HA -0.096 4.243 4.340 -0.001 0.000 0.231 56 R C 1.463 177.769 176.300 0.010 0.000 1.119 56 R CA 1.318 57.422 56.100 0.007 0.000 0.970 56 R CB -0.837 29.467 30.300 0.007 0.000 0.864 56 R HN -0.003 8.267 8.270 -0.000 0.000 0.440 57 D N 0.640 121.048 120.400 0.013 0.000 2.092 57 D HA -0.130 4.510 4.640 -0.001 0.000 0.193 57 D C 2.036 178.343 176.300 0.011 0.000 0.994 57 D CA 1.984 55.994 54.000 0.017 0.000 0.828 57 D CB -0.266 40.551 40.800 0.028 0.000 0.963 57 D HN 0.147 8.517 8.370 -0.000 0.000 0.450 58 V N 0.980 120.903 119.914 0.015 0.000 2.295 58 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 58 V C 2.596 178.693 176.094 0.006 0.000 1.049 58 V CA 1.822 64.130 62.300 0.014 0.000 1.024 58 V CB -0.529 31.306 31.823 0.019 0.000 0.648 58 V HN 0.131 8.321 8.190 -0.000 0.000 0.447 59 R N 0.040 120.544 120.500 0.006 0.000 2.091 59 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 59 R C 2.173 178.474 176.300 0.003 0.000 1.136 59 R CA 2.030 58.133 56.100 0.005 0.000 0.959 59 R CB -0.276 30.028 30.300 0.006 0.000 0.856 59 R HN 0.511 8.781 8.270 -0.000 0.000 0.437 60 I N 0.083 120.655 120.570 0.003 0.000 2.400 60 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 60 I C 1.848 177.953 176.117 -0.020 0.000 1.109 60 I CA 0.181 61.481 61.300 0.001 0.000 1.425 60 I CB -0.157 37.850 38.000 0.012 0.000 1.094 60 I HN 0.170 8.380 8.210 -0.000 0.000 0.425 61 L N 0.937 122.143 121.223 -0.030 0.000 2.012 61 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 61 L C 2.603 179.439 176.870 -0.058 0.000 1.073 61 L CA 1.723 56.525 54.840 -0.064 0.000 0.748 61 L CB -1.213 40.818 42.059 -0.046 0.000 0.891 61 L HN 0.169 8.399 8.230 -0.000 0.000 0.431 62 R N -0.283 120.201 120.500 -0.028 0.000 2.170 62 R HA -0.188 4.152 4.340 -0.001 0.000 0.242 62 R C 2.134 178.421 176.300 -0.022 0.000 1.145 62 R CA 1.550 57.639 56.100 -0.019 0.000 0.984 62 R CB -0.187 30.110 30.300 -0.006 0.000 0.869 62 R HN 0.536 8.806 8.270 -0.000 0.000 0.455 63 Q N -2.012 117.775 119.800 -0.021 0.000 2.376 63 Q HA 0.038 4.378 4.340 -0.001 0.000 0.206 63 Q C 1.291 177.281 176.000 -0.017 0.000 0.921 63 Q CA 1.390 57.187 55.803 -0.010 0.000 0.911 63 Q CB 0.775 29.517 28.738 0.006 0.000 1.032 63 Q HN 0.555 8.825 8.270 -0.000 0.000 0.510 64 T N -2.206 112.309 114.554 -0.066 0.000 3.023 64 T HA 0.233 4.582 4.350 -0.001 0.000 0.249 64 T C 0.839 175.378 174.700 -0.269 0.000 1.050 64 T CA -0.329 61.695 62.100 -0.127 0.000 1.088 64 T CB 0.008 68.758 68.868 -0.197 0.000 0.946 64 T HN -0.022 8.218 8.240 -0.000 0.000 0.480 65 L N 2.537 123.622 121.223 -0.231 0.000 2.559 65 L HA 0.094 4.434 4.340 -0.001 0.000 0.282 65 L C 1.501 178.302 176.870 -0.116 0.000 1.232 65 L CA 0.299 55.013 54.840 -0.210 0.000 0.885 65 L CB 0.351 42.337 42.059 -0.121 0.000 1.131 65 L HN 0.208 8.438 8.230 -0.000 0.000 0.498 66 D N -0.212 120.136 120.400 -0.086 0.000 2.338 66 D HA -0.076 4.564 4.640 -0.001 0.000 0.208 66 D C 1.528 177.816 176.300 -0.021 0.000 0.997 66 D CA 1.084 55.076 54.000 -0.012 0.000 0.880 66 D CB 0.489 41.317 40.800 0.046 0.000 0.980 66 D HN 0.743 9.113 8.370 -0.000 0.000 0.509 67 T N -2.100 112.434 114.554 -0.033 0.000 3.397 67 T HA 0.372 4.721 4.350 -0.001 0.000 0.197 67 T C 0.100 174.769 174.700 -0.051 0.000 0.837 67 T CA -0.133 61.947 62.100 -0.034 0.000 2.001 67 T CB 0.202 69.059 68.868 -0.019 0.000 1.845 67 T HN 0.091 8.331 8.240 -0.000 0.000 0.444 68 R N -0.493 119.991 120.500 -0.027 0.000 2.690 68 R HA 0.617 4.956 4.340 -0.001 0.000 0.269 68 R C -1.301 175.032 176.300 0.056 0.000 1.037 68 R CA -0.774 55.322 56.100 -0.007 0.000 0.877 68 R CB 0.564 30.822 30.300 -0.070 0.000 1.255 68 R HN 0.619 8.889 8.270 -0.000 0.000 0.467 69 M N 1.659 121.304 119.600 0.076 0.000 2.264 69 M HA 0.459 4.938 4.480 -0.001 0.000 0.352 69 M C -0.883 175.511 176.300 0.157 0.000 1.173 69 M CA -0.449 54.902 55.300 0.084 0.000 1.075 69 M CB 1.271 33.899 32.600 0.047 0.000 1.621 69 M HN 0.734 9.024 8.290 -0.000 0.000 0.457 70 N N 5.622 124.403 118.700 0.135 0.000 2.558 70 N HA 0.248 4.987 4.740 -0.001 0.000 0.242 70 N C -1.794 173.763 175.510 0.078 0.000 0.979 70 N CA -0.432 52.708 53.050 0.149 0.000 0.931 70 N CB 0.844 39.376 38.487 0.075 0.000 1.122 70 N HN 0.785 9.165 8.380 -0.000 0.000 0.508 71 L N 3.130 124.400 121.223 0.078 0.000 2.363 71 L HA 0.300 4.640 4.340 -0.001 0.000 0.286 71 L C -0.189 176.702 176.870 0.034 0.000 1.106 71 L CA -0.080 54.794 54.840 0.057 0.000 0.859 71 L CB -0.000 42.090 42.059 0.052 0.000 1.223 71 L HN 0.587 8.817 8.230 -0.000 0.000 0.446 72 E N 6.800 127.009 120.200 0.016 0.000 2.313 72 E HA 0.458 4.808 4.350 -0.001 0.000 0.276 72 E C -0.382 176.202 176.600 -0.026 0.000 1.031 72 E CA -0.220 56.120 56.400 -0.099 0.000 0.857 72 E CB 1.405 30.940 29.700 -0.275 0.000 1.040 72 E HN 0.601 8.961 8.360 -0.000 0.000 0.408 73 M N -0.587 118.970 119.600 -0.071 0.000 2.643 73 M HA 0.639 5.118 4.480 -0.001 0.000 0.276 73 M C -1.442 174.869 176.300 0.018 0.000 1.200 73 M CA -1.042 54.290 55.300 0.053 0.000 0.863 73 M CB 1.469 34.111 32.600 0.070 0.000 1.711 73 M HN 0.372 8.662 8.290 -0.000 0.000 0.492 74 A N 1.109 123.973 122.820 0.073 0.000 2.287 74 A HA 0.725 5.044 4.320 -0.001 0.000 0.273 74 A C -0.260 177.345 177.584 0.035 0.000 1.091 74 A CA -0.730 51.336 52.037 0.049 0.000 0.817 74 A CB 0.639 19.677 19.000 0.063 0.000 1.069 74 A HN 0.772 8.922 8.150 -0.000 0.000 0.492 75 V N 2.030 121.962 119.914 0.029 0.000 2.320 75 V HA 0.505 4.624 4.120 -0.001 0.000 0.265 75 V C 0.346 176.453 176.094 0.022 0.000 1.048 75 V CA 0.369 62.684 62.300 0.025 0.000 0.865 75 V CB -0.332 31.505 31.823 0.024 0.000 1.043 75 V HN 1.086 9.276 8.190 -0.000 0.000 0.474 76 T N -0.101 114.465 114.554 0.019 0.000 2.894 76 T HA 0.409 4.759 4.350 -0.001 0.000 0.309 76 T C 0.556 175.264 174.700 0.012 0.000 1.208 76 T CA -0.740 61.369 62.100 0.015 0.000 1.016 76 T CB 2.282 71.158 68.868 0.014 0.000 1.192 76 T HN 0.290 8.530 8.240 -0.000 0.000 0.491 77 E N 0.998 121.204 120.200 0.009 0.000 2.130 77 E HA -0.205 4.145 4.350 -0.001 0.000 0.196 77 E C 1.666 178.270 176.600 0.007 0.000 0.998 77 E CA 1.629 58.034 56.400 0.007 0.000 0.806 77 E CB -0.079 29.624 29.700 0.005 0.000 0.738 77 E HN 0.918 9.278 8.360 -0.000 0.000 0.459 78 E N 0.150 120.354 120.200 0.006 0.000 2.023 78 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 78 E C 1.963 178.568 176.600 0.008 0.000 1.003 78 E CA 1.259 57.662 56.400 0.005 0.000 0.809 78 E CB 0.038 29.740 29.700 0.002 0.000 0.755 78 E HN 0.075 8.435 8.360 -0.000 0.000 0.449 79 M N 0.516 120.123 119.600 0.012 0.000 2.159 79 M HA -0.132 4.347 4.480 -0.001 0.000 0.263 79 M C 2.437 178.747 176.300 0.016 0.000 1.063 79 M CA 1.141 56.452 55.300 0.018 0.000 1.110 79 M CB -0.913 31.703 32.600 0.028 0.000 1.374 79 M HN 0.247 8.537 8.290 -0.000 0.000 0.411 80 L N -0.539 120.692 121.223 0.013 0.000 2.093 80 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 80 L C 2.678 179.552 176.870 0.007 0.000 1.085 80 L CA 1.086 55.932 54.840 0.010 0.000 0.755 80 L CB -0.890 41.175 42.059 0.009 0.000 0.904 80 L HN 0.260 8.490 8.230 -0.000 0.000 0.435 81 A N 0.247 123.070 122.820 0.006 0.000 1.930 81 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 81 A C 2.196 179.782 177.584 0.004 0.000 1.175 81 A CA 1.216 53.255 52.037 0.004 0.000 0.627 81 A CB -0.519 18.483 19.000 0.003 0.000 0.815 81 A HN 0.324 8.474 8.150 -0.000 0.000 0.443 82 I N -0.270 120.303 120.570 0.006 0.000 2.226 82 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 82 I C 2.978 179.099 176.117 0.008 0.000 1.100 82 I CA 1.050 62.354 61.300 0.007 0.000 1.374 82 I CB -0.336 37.670 38.000 0.010 0.000 1.057 82 I HN 0.365 8.575 8.210 -0.000 0.000 0.413 83 A N 0.373 123.199 122.820 0.009 0.000 1.902 83 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 83 A C 2.392 179.975 177.584 -0.001 0.000 1.181 83 A CA 1.642 53.684 52.037 0.007 0.000 0.623 83 A CB -0.932 18.073 19.000 0.009 0.000 0.818 83 A HN 0.246 8.396 8.150 -0.000 0.000 0.443 84 V N 0.167 120.080 119.914 -0.002 0.000 2.515 84 V HA -0.208 3.911 4.120 -0.001 0.000 0.250 84 V C 2.561 178.651 176.094 -0.006 0.000 1.058 84 V CA 2.370 64.666 62.300 -0.007 0.000 1.064 84 V CB -0.571 31.250 31.823 -0.005 0.000 0.675 84 V HN 0.782 8.972 8.190 -0.000 0.000 0.461 85 E N 0.691 120.889 120.200 -0.003 0.000 2.033 85 E HA -0.147 4.203 4.350 -0.001 0.000 0.189 85 E C 2.172 178.771 176.600 -0.002 0.000 0.979 85 E CA 2.035 58.434 56.400 -0.002 0.000 0.802 85 E CB -0.604 29.096 29.700 0.000 0.000 0.763 85 E HN 0.508 8.868 8.360 -0.000 0.000 0.449 86 T N 0.342 114.896 114.554 -0.000 0.000 2.788 86 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 86 T C 0.463 175.161 174.700 -0.003 0.000 1.044 86 T CA 1.333 63.434 62.100 0.001 0.000 1.139 86 T CB -0.313 68.559 68.868 0.006 0.000 0.867 86 T HN 0.178 8.418 8.240 -0.000 0.000 0.454 87 K N 0.892 121.286 120.400 -0.010 0.000 3.244 87 K HA -0.109 4.210 4.320 -0.001 0.000 0.270 87 K C -2.723 173.865 176.600 -0.021 0.000 1.016 87 K CA 0.260 56.535 56.287 -0.021 0.000 0.754 87 K CB -0.962 31.527 32.500 -0.018 0.000 1.326 87 K HN 0.383 8.633 8.250 -0.000 0.000 0.465 88 P HA -0.002 4.418 4.420 -0.000 0.000 0.274 88 P C 0.392 177.666 177.300 -0.042 0.000 1.237 88 P CA -0.129 62.972 63.100 0.002 0.000 0.793 88 P CB 1.004 32.718 31.700 0.023 0.000 0.977 89 H N 1.348 120.336 119.070 -0.138 0.000 2.319 89 H HA 0.016 4.572 4.556 -0.001 0.000 0.299 89 H C 0.081 175.089 175.328 -0.534 0.000 1.092 89 H CA 1.708 57.552 56.048 -0.340 0.000 1.302 89 H CB -0.261 29.267 29.762 -0.389 0.000 1.373 89 H HN 0.306 8.586 8.280 -0.000 0.000 0.497 90 F N -1.727 118.197 119.950 -0.043 0.000 2.575 90 F HA 0.449 4.976 4.527 -0.001 0.000 0.330 90 F C -0.549 175.205 175.800 -0.077 0.000 1.056 90 F CA -0.910 57.022 58.000 -0.114 0.000 0.964 90 F CB 1.649 40.581 39.000 -0.113 0.000 1.258 90 F HN -0.101 8.200 8.300 -0.000 0.000 0.484 91 C N 1.656 121.048 119.300 0.153 0.000 2.516 91 C HA 0.512 4.971 4.460 -0.001 0.000 0.338 91 C C -0.986 174.036 174.990 0.053 0.000 1.132 91 C CA -1.112 57.949 59.018 0.071 0.000 1.310 91 C CB 0.514 28.277 27.740 0.038 0.000 1.898 91 C HN 0.899 9.129 8.230 -0.000 0.000 0.452 92 C N 7.243 126.554 119.300 0.018 0.000 2.291 92 C HA 0.564 5.023 4.460 -0.001 0.000 0.322 92 C C -0.183 174.797 174.990 -0.017 0.000 1.205 92 C CA -0.583 58.437 59.018 0.003 0.000 1.495 92 C CB -1.049 26.674 27.740 -0.029 0.000 2.127 92 C HN 0.840 9.070 8.230 -0.000 0.000 0.452 93 L N 7.576 128.812 121.223 0.022 0.000 2.385 93 L HA 0.422 4.762 4.340 -0.001 0.000 0.281 93 L C 0.374 177.257 176.870 0.021 0.000 1.106 93 L CA 0.022 54.872 54.840 0.016 0.000 0.856 93 L CB 0.206 42.289 42.059 0.039 0.000 1.186 93 L HN 0.613 8.843 8.230 -0.000 0.000 0.453 94 V N 2.385 122.264 119.914 -0.058 0.000 2.815 94 V HA 0.690 4.809 4.120 -0.001 0.000 0.314 94 V C -2.461 173.616 176.094 -0.028 0.000 1.064 94 V CA -2.387 59.857 62.300 -0.093 0.000 0.952 94 V CB 1.753 33.337 31.823 -0.398 0.000 1.020 94 V HN 0.500 8.690 8.190 -0.000 0.000 0.439 95 P HA 0.422 4.842 4.420 -0.000 0.000 0.281 95 P C -0.453 176.869 177.300 0.037 0.000 1.252 95 P CA 0.062 63.188 63.100 0.044 0.000 0.778 95 P CB 1.930 33.678 31.700 0.080 0.000 0.895 96 E N 1.413 121.642 120.200 0.048 0.000 2.500 96 E HA 0.101 4.450 4.350 -0.001 0.000 0.217 96 E C 0.088 176.710 176.600 0.037 0.000 0.848 96 E CA 0.104 56.537 56.400 0.055 0.000 1.217 96 E CB 0.597 30.338 29.700 0.069 0.000 1.217 96 E HN 0.467 8.827 8.360 -0.000 0.000 0.573 97 K N -0.389 120.031 120.400 0.033 0.000 2.238 97 K HA 0.496 4.816 4.320 -0.001 0.000 0.239 97 K C 1.008 177.625 176.600 0.028 0.000 0.987 97 K CA -0.054 56.248 56.287 0.025 0.000 0.857 97 K CB 1.143 33.655 32.500 0.020 0.000 1.154 97 K HN -0.113 8.137 8.250 -0.000 0.000 0.439 98 R N 0.813 121.327 120.500 0.023 0.000 2.083 98 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 98 R C 1.812 178.126 176.300 0.024 0.000 1.137 98 R CA 1.754 57.868 56.100 0.024 0.000 0.951 98 R CB -1.284 29.028 30.300 0.018 0.000 0.851 98 R HN 0.564 8.834 8.270 -0.000 0.000 0.434 99 Q N 0.296 120.108 119.800 0.021 0.000 2.291 99 Q HA -0.120 4.219 4.340 -0.001 0.000 0.206 99 Q C 1.523 177.537 176.000 0.023 0.000 0.976 99 Q CA 1.810 57.625 55.803 0.019 0.000 0.875 99 Q CB 0.172 28.919 28.738 0.016 0.000 0.927 99 Q HN 0.900 9.170 8.270 -0.000 0.000 0.450 100 E N -0.628 119.589 120.200 0.028 0.000 2.472 100 E HA 0.113 4.463 4.350 -0.001 0.000 0.196 100 E C 0.263 176.889 176.600 0.044 0.000 1.033 100 E CA -0.105 56.316 56.400 0.034 0.000 0.886 100 E CB 0.739 30.461 29.700 0.035 0.000 0.944 100 E HN -0.069 8.291 8.360 -0.000 0.000 0.492 101 V N 1.271 121.211 119.914 0.045 0.000 2.837 101 V HA 0.195 4.315 4.120 -0.001 0.000 0.310 101 V C 0.464 176.586 176.094 0.048 0.000 1.059 101 V CA -0.511 61.824 62.300 0.057 0.000 1.004 101 V CB 1.872 33.732 31.823 0.061 0.000 1.045 101 V HN 0.051 8.241 8.190 -0.000 0.000 0.465 102 T N 1.036 115.623 114.554 0.056 0.000 2.927 102 T HA 0.219 4.568 4.350 -0.001 0.000 0.281 102 T C 1.322 176.045 174.700 0.039 0.000 0.998 102 T CA 0.396 62.519 62.100 0.038 0.000 1.019 102 T CB 1.431 70.317 68.868 0.030 0.000 1.061 102 T HN 1.036 9.276 8.240 -0.000 0.000 0.518 103 T N -1.065 113.502 114.554 0.022 0.000 2.977 103 T HA -0.051 4.298 4.350 -0.001 0.000 0.271 103 T C 1.315 176.028 174.700 0.021 0.000 1.105 103 T CA 1.207 63.319 62.100 0.020 0.000 1.116 103 T CB -0.126 68.747 68.868 0.007 0.000 0.878 103 T HN 0.639 8.879 8.240 -0.000 0.000 0.509 104 E N 0.123 120.333 120.200 0.017 0.000 2.447 104 E HA 0.264 4.614 4.350 -0.001 0.000 0.195 104 E C 1.627 178.270 176.600 0.072 0.000 1.028 104 E CA 0.426 56.825 56.400 -0.002 0.000 0.876 104 E CB -0.120 29.551 29.700 -0.048 0.000 0.885 104 E HN 0.742 9.102 8.360 -0.000 0.000 0.500 105 G N 0.303 109.184 108.800 0.135 0.000 2.307 105 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.210 105 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.210 105 G C 0.580 175.649 174.900 0.281 0.000 1.005 105 G CA -0.167 45.080 45.100 0.244 0.000 0.634 105 G HN 0.490 8.780 8.290 -0.000 0.000 0.496 106 G N -0.090 108.851 108.800 0.236 0.000 2.651 106 G HA2 0.574 4.533 3.960 -0.001 0.000 0.260 106 G HA3 0.574 4.533 3.960 -0.001 0.000 0.260 106 G C 0.151 175.122 174.900 0.118 0.000 1.216 106 G CA 0.025 45.179 45.100 0.091 0.000 0.913 106 G HN 0.986 9.276 8.290 -0.000 0.000 0.535 107 L N 0.021 121.323 121.223 0.133 0.000 2.453 107 L HA 0.190 4.530 4.340 -0.001 0.000 0.272 107 L C 0.153 177.052 176.870 0.048 0.000 1.182 107 L CA -0.258 54.644 54.840 0.104 0.000 0.858 107 L CB 1.046 43.173 42.059 0.114 0.000 1.120 107 L HN 0.414 8.644 8.230 -0.000 0.000 0.474 108 D N 3.763 124.189 120.400 0.044 0.000 2.494 108 D HA 0.113 4.753 4.640 -0.001 0.000 0.217 108 D C 0.835 177.150 176.300 0.025 0.000 1.153 108 D CA -0.038 53.979 54.000 0.027 0.000 0.954 108 D CB 0.593 41.409 40.800 0.026 0.000 1.034 108 D HN 0.393 8.763 8.370 -0.000 0.000 0.518 109 V N 3.210 123.137 119.914 0.022 0.000 2.407 109 V HA -0.105 4.015 4.120 -0.001 0.000 0.245 109 V C 2.511 178.616 176.094 0.019 0.000 1.041 109 V CA 1.537 63.851 62.300 0.023 0.000 1.040 109 V CB -0.583 31.255 31.823 0.024 0.000 0.671 109 V HN 0.583 8.773 8.190 -0.000 0.000 0.455 110 A N 0.786 123.614 122.820 0.015 0.000 1.978 110 A HA -0.114 4.206 4.320 -0.001 0.000 0.220 110 A C 2.240 179.831 177.584 0.012 0.000 1.170 110 A CA 1.967 54.012 52.037 0.013 0.000 0.636 110 A CB -0.904 18.101 19.000 0.008 0.000 0.810 110 A HN 0.561 8.711 8.150 -0.000 0.000 0.448 111 G N -1.764 107.044 108.800 0.013 0.000 2.880 111 G HA2 0.223 4.182 3.960 -0.001 0.000 0.209 111 G HA3 0.223 4.182 3.960 -0.001 0.000 0.209 111 G C 0.779 175.688 174.900 0.014 0.000 1.157 111 G CA 0.380 45.487 45.100 0.012 0.000 0.779 111 G HN 0.617 8.907 8.290 -0.000 0.000 0.539 112 Q N -0.248 119.562 119.800 0.016 0.000 2.366 112 Q HA 0.281 4.621 4.340 -0.001 0.000 0.356 112 Q C 1.213 177.223 176.000 0.017 0.000 0.866 112 Q CA -0.468 55.345 55.803 0.016 0.000 1.109 112 Q CB 0.748 29.497 28.738 0.019 0.000 1.361 112 Q HN 0.236 8.506 8.270 -0.000 0.000 0.404 113 R N 0.458 120.967 120.500 0.015 0.000 2.103 113 R HA -0.187 4.153 4.340 -0.001 0.000 0.242 113 R C 0.745 177.053 176.300 0.014 0.000 1.142 113 R CA 1.968 58.077 56.100 0.015 0.000 0.960 113 R CB 0.040 30.348 30.300 0.013 0.000 0.858 113 R HN 0.317 8.587 8.270 -0.000 0.000 0.439 114 D N 0.191 120.598 120.400 0.012 0.000 2.084 114 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 114 D C 1.793 178.100 176.300 0.012 0.000 0.990 114 D CA 1.195 55.201 54.000 0.011 0.000 0.826 114 D CB -0.027 40.779 40.800 0.009 0.000 0.971 114 D HN 0.098 8.468 8.370 -0.000 0.000 0.453 115 K N -0.125 120.282 120.400 0.013 0.000 2.009 115 K HA -0.159 4.161 4.320 -0.001 0.000 0.210 115 K C 1.955 178.565 176.600 0.017 0.000 1.049 115 K CA 1.141 57.437 56.287 0.014 0.000 0.929 115 K CB -0.010 32.500 32.500 0.016 0.000 0.714 115 K HN 0.012 8.262 8.250 -0.000 0.000 0.440 116 M N 0.737 120.349 119.600 0.019 0.000 2.108 116 M HA -0.163 4.317 4.480 -0.001 0.000 0.261 116 M C 2.185 178.497 176.300 0.021 0.000 1.066 116 M CA 1.492 56.805 55.300 0.023 0.000 1.107 116 M CB -1.216 31.399 32.600 0.026 0.000 1.356 116 M HN 0.221 8.511 8.290 -0.000 0.000 0.406 117 R N 0.192 120.702 120.500 0.017 0.000 2.091 117 R HA -0.195 4.144 4.340 -0.001 0.000 0.238 117 R C 1.719 178.027 176.300 0.013 0.000 1.136 117 R CA 1.863 57.972 56.100 0.015 0.000 0.959 117 R CB -0.182 30.125 30.300 0.012 0.000 0.856 117 R HN 0.250 8.520 8.270 -0.000 0.000 0.437 118 D N -0.116 120.291 120.400 0.012 0.000 2.117 118 D HA -0.088 4.551 4.640 -0.001 0.000 0.197 118 D C 1.693 178.000 176.300 0.011 0.000 0.987 118 D CA 1.471 55.477 54.000 0.010 0.000 0.829 118 D CB -0.157 40.648 40.800 0.009 0.000 0.961 118 D HN 0.380 8.750 8.370 -0.000 0.000 0.460 119 A N 0.058 122.887 122.820 0.015 0.000 1.858 119 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 119 A C 2.616 180.210 177.584 0.017 0.000 1.190 119 A CA 1.599 53.645 52.037 0.016 0.000 0.617 119 A CB -1.073 17.940 19.000 0.020 0.000 0.827 119 A HN 0.395 8.545 8.150 -0.000 0.000 0.443 120 C N -0.708 118.605 119.300 0.021 0.000 2.413 120 C HA -0.098 4.361 4.460 -0.001 0.000 0.276 120 C C 2.733 177.733 174.990 0.016 0.000 1.248 120 C CA 1.618 60.650 59.018 0.024 0.000 1.742 120 C CB -0.950 26.807 27.740 0.028 0.000 2.017 120 C HN 0.741 8.971 8.230 -0.000 0.000 0.481 121 K N 1.472 121.878 120.400 0.012 0.000 2.001 121 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 121 K C 2.222 178.824 176.600 0.003 0.000 1.048 121 K CA 1.726 58.017 56.287 0.006 0.000 0.932 121 K CB -0.446 32.057 32.500 0.006 0.000 0.715 121 K HN 0.376 8.626 8.250 -0.000 0.000 0.437 122 R N 0.275 120.778 120.500 0.004 0.000 2.083 122 R HA -0.025 4.314 4.340 -0.001 0.000 0.237 122 R C 2.184 178.483 176.300 -0.002 0.000 1.137 122 R CA 1.764 57.865 56.100 0.001 0.000 0.951 122 R CB -0.575 29.727 30.300 0.003 0.000 0.851 122 R HN 0.301 8.571 8.270 -0.000 0.000 0.434 123 L N 0.024 121.247 121.223 0.000 0.000 2.141 123 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 123 L C 2.587 179.448 176.870 -0.015 0.000 1.094 123 L CA 1.109 55.946 54.840 -0.005 0.000 0.763 123 L CB -0.533 41.527 42.059 0.003 0.000 0.908 123 L HN 0.405 8.635 8.230 -0.000 0.000 0.437 124 A N 0.053 122.868 122.820 -0.008 0.000 1.873 124 A HA -0.202 4.118 4.320 -0.001 0.000 0.215 124 A C 1.822 179.395 177.584 -0.020 0.000 1.186 124 A CA 1.735 53.764 52.037 -0.013 0.000 0.616 124 A CB -0.461 18.538 19.000 -0.001 0.000 0.823 124 A HN 0.378 8.528 8.150 -0.000 0.000 0.442 125 D N 0.404 120.796 120.400 -0.013 0.000 2.309 125 D HA -0.009 4.630 4.640 -0.001 0.000 0.212 125 D C 1.736 178.024 176.300 -0.019 0.000 0.968 125 D CA 1.190 55.182 54.000 -0.014 0.000 0.882 125 D CB -0.246 40.548 40.800 -0.009 0.000 0.918 125 D HN 0.484 8.854 8.370 -0.000 0.000 0.503 126 A N -0.077 122.729 122.820 -0.024 0.000 2.178 126 A HA 0.415 4.735 4.320 -0.001 0.000 0.211 126 A C 1.783 179.340 177.584 -0.045 0.000 1.157 126 A CA 0.940 52.959 52.037 -0.028 0.000 0.780 126 A CB 0.013 18.998 19.000 -0.026 0.000 0.828 126 A HN 0.245 8.395 8.150 -0.000 0.000 0.476 127 G N -0.773 107.993 108.800 -0.057 0.000 2.130 127 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.216 127 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.216 127 G C -0.091 174.717 174.900 -0.153 0.000 0.999 127 G CA 0.108 45.156 45.100 -0.087 0.000 0.686 127 G HN 0.458 8.748 8.290 -0.000 0.000 0.515 128 I N 0.659 121.149 120.570 -0.133 0.000 2.354 128 I HA 0.313 4.483 4.170 -0.001 0.000 0.292 128 I C 0.596 176.618 176.117 -0.157 0.000 0.989 128 I CA -0.714 60.477 61.300 -0.181 0.000 1.188 128 I CB 1.495 39.437 38.000 -0.096 0.000 1.342 128 I HN 0.056 8.266 8.210 -0.000 0.000 0.457 129 Q N 4.742 124.385 119.800 -0.261 0.000 2.295 129 Q HA 0.348 4.687 4.340 -0.001 0.000 0.259 129 Q C -0.781 175.282 176.000 0.105 0.000 0.976 129 Q CA -0.377 55.395 55.803 -0.052 0.000 0.923 129 Q CB 1.900 30.598 28.738 -0.068 0.000 1.185 129 Q HN 0.441 8.711 8.270 -0.000 0.000 0.410 130 V N 2.088 122.078 119.914 0.127 0.000 2.539 130 V HA 0.377 4.497 4.120 -0.001 0.000 0.292 130 V C -0.026 176.171 176.094 0.172 0.000 1.045 130 V CA -0.344 62.029 62.300 0.121 0.000 0.945 130 V CB 1.738 33.611 31.823 0.084 0.000 0.993 130 V HN 0.704 8.894 8.190 -0.000 0.000 0.464 131 S N 4.462 120.234 115.700 0.119 0.000 2.526 131 S HA 0.749 5.218 4.470 -0.001 0.000 0.293 131 S C -1.102 173.565 174.600 0.112 0.000 1.092 131 S CA -0.654 57.631 58.200 0.142 0.000 0.980 131 S CB 1.034 64.266 63.200 0.053 0.000 1.048 131 S HN 0.555 8.865 8.310 -0.000 0.000 0.483 132 L N 4.286 125.580 121.223 0.119 0.000 2.313 132 L HA 0.516 4.856 4.340 -0.001 0.000 0.283 132 L C -0.623 176.316 176.870 0.116 0.000 1.013 132 L CA -0.728 54.174 54.840 0.103 0.000 0.816 132 L CB 1.270 43.373 42.059 0.072 0.000 1.236 132 L HN 0.727 8.957 8.230 -0.000 0.000 0.419 133 F N 6.390 126.327 119.950 -0.023 0.000 2.509 133 F HA 0.393 4.920 4.527 -0.001 0.000 0.350 133 F C 0.250 176.031 175.800 -0.032 0.000 1.220 133 F CA -0.523 57.447 58.000 -0.051 0.000 1.151 133 F CB 0.062 38.992 39.000 -0.116 0.000 1.379 133 F HN 0.313 8.613 8.300 -0.000 0.000 0.610 134 I N 1.184 121.521 120.570 -0.388 0.000 3.170 134 I HA 0.571 4.740 4.170 -0.001 0.000 0.312 134 I C -0.655 175.264 176.117 -0.330 0.000 1.085 134 I CA -1.183 59.937 61.300 -0.298 0.000 0.999 134 I CB 1.525 39.459 38.000 -0.110 0.000 1.233 134 I HN 0.126 8.336 8.210 -0.000 0.000 0.467 135 D N 1.656 121.947 120.400 -0.182 0.000 2.354 135 D HA 0.283 4.922 4.640 -0.001 0.000 0.247 135 D C 0.059 176.290 176.300 -0.114 0.000 1.138 135 D CA -0.222 53.695 54.000 -0.137 0.000 0.958 135 D CB 1.699 42.442 40.800 -0.095 0.000 1.144 135 D HN 0.730 9.100 8.370 -0.000 0.000 0.458 136 A N 1.492 124.250 122.820 -0.104 0.000 3.046 136 A HA 0.037 4.356 4.320 -0.001 0.000 0.259 136 A C 0.077 177.597 177.584 -0.108 0.000 1.843 136 A CA 0.074 52.057 52.037 -0.091 0.000 1.451 136 A CB -0.498 18.454 19.000 -0.080 0.000 1.025 136 A HN 0.366 8.516 8.150 -0.000 0.000 0.625 137 D N 0.316 120.649 120.400 -0.112 0.000 2.649 137 D HA 0.176 4.815 4.640 -0.001 0.000 0.249 137 D C 0.500 176.702 176.300 -0.164 0.000 1.112 137 D CA -0.353 53.568 54.000 -0.131 0.000 0.850 137 D CB 1.161 41.905 40.800 -0.093 0.000 1.399 137 D HN 0.406 8.776 8.370 -0.000 0.000 0.503 138 E N 2.121 122.155 120.200 -0.277 0.000 2.077 138 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 138 E C 1.363 177.889 176.600 -0.124 0.000 0.989 138 E CA 0.880 57.035 56.400 -0.408 0.000 0.800 138 E CB 0.294 29.584 29.700 -0.683 0.000 0.746 138 E HN 0.640 9.000 8.360 -0.000 0.000 0.452 139 E N 0.723 120.872 120.200 -0.085 0.000 2.085 139 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 139 E C 2.143 178.747 176.600 0.007 0.000 0.994 139 E CA 1.007 57.396 56.400 -0.019 0.000 0.801 139 E CB 0.192 29.877 29.700 -0.026 0.000 0.743 139 E HN 0.130 8.490 8.360 -0.000 0.000 0.453 140 Q N 0.233 120.026 119.800 -0.011 0.000 2.119 140 Q HA -0.103 4.237 4.340 -0.001 0.000 0.201 140 Q C 2.353 178.371 176.000 0.029 0.000 0.972 140 Q CA 0.986 56.790 55.803 0.001 0.000 0.847 140 Q CB -0.153 28.573 28.738 -0.021 0.000 0.903 140 Q HN 0.487 8.757 8.270 -0.000 0.000 0.433 141 I N 0.571 121.173 120.570 0.053 0.000 2.202 141 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 141 I C 2.230 178.433 176.117 0.143 0.000 1.091 141 I CA 1.129 62.501 61.300 0.119 0.000 1.368 141 I CB -0.274 37.863 38.000 0.228 0.000 1.058 141 I HN 0.144 8.354 8.210 -0.000 0.000 0.410 142 K N 1.103 121.617 120.400 0.190 0.000 2.063 142 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 142 K C 2.312 178.953 176.600 0.068 0.000 1.048 142 K CA 1.588 57.959 56.287 0.140 0.000 0.928 142 K CB -0.308 32.285 32.500 0.155 0.000 0.713 142 K HN 0.319 8.569 8.250 -0.000 0.000 0.442 143 A N 1.651 124.504 122.820 0.055 0.000 1.883 143 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 143 A C 2.415 180.017 177.584 0.031 0.000 1.186 143 A CA 2.025 54.083 52.037 0.035 0.000 0.624 143 A CB -0.834 18.183 19.000 0.027 0.000 0.822 143 A HN 0.353 8.503 8.150 -0.000 0.000 0.444 144 A N -0.255 122.586 122.820 0.036 0.000 1.908 144 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 144 A C 2.506 180.105 177.584 0.024 0.000 1.181 144 A CA 2.333 54.389 52.037 0.033 0.000 0.627 144 A CB -1.024 17.997 19.000 0.037 0.000 0.818 144 A HN 1.087 9.237 8.150 -0.000 0.000 0.445 145 A N 0.035 122.867 122.820 0.020 0.000 1.855 145 A HA -0.189 4.131 4.320 -0.001 0.000 0.215 145 A C 2.104 179.687 177.584 -0.002 0.000 1.191 145 A CA 1.810 53.846 52.037 -0.002 0.000 0.613 145 A CB -0.644 18.346 19.000 -0.017 0.000 0.829 145 A HN 0.720 8.870 8.150 -0.000 0.000 0.442 146 E N 0.104 120.308 120.200 0.005 0.000 2.085 146 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 146 E C 1.665 178.269 176.600 0.006 0.000 0.994 146 E CA 1.806 58.208 56.400 0.004 0.000 0.801 146 E CB -0.280 29.426 29.700 0.009 0.000 0.743 146 E HN 0.270 8.630 8.360 -0.000 0.000 0.453 147 V N 0.430 120.351 119.914 0.012 0.000 2.913 147 V HA -0.072 4.048 4.120 -0.001 0.000 0.260 147 V C 1.763 177.865 176.094 0.014 0.000 1.098 147 V CA 1.426 63.734 62.300 0.014 0.000 1.121 147 V CB -0.349 31.486 31.823 0.019 0.000 0.714 147 V HN 0.687 8.877 8.190 -0.000 0.000 0.487 148 G N -0.695 108.111 108.800 0.011 0.000 2.179 148 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.220 148 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.220 148 G C 0.251 175.165 174.900 0.022 0.000 0.990 148 G CA 0.035 45.141 45.100 0.011 0.000 0.646 148 G HN 1.053 9.343 8.290 -0.000 0.000 0.517 149 A N 1.110 123.950 122.820 0.033 0.000 2.488 149 A HA 0.634 4.953 4.320 -0.001 0.000 0.249 149 A C 0.114 177.732 177.584 0.057 0.000 1.083 149 A CA -0.128 51.944 52.037 0.059 0.000 0.768 149 A CB 0.555 19.596 19.000 0.069 0.000 1.017 149 A HN 0.177 8.327 8.150 -0.000 0.000 0.496 150 P HA 0.008 4.428 4.420 -0.000 0.000 0.220 150 P C -0.044 177.248 177.300 -0.014 0.000 1.152 150 P CA 1.031 64.171 63.100 0.067 0.000 0.812 150 P CB 0.162 31.964 31.700 0.170 0.000 0.792 151 F N 0.256 120.207 119.950 0.002 0.000 2.598 151 F HA 0.543 5.070 4.527 -0.001 0.000 0.327 151 F C 0.551 176.350 175.800 -0.001 0.000 1.057 151 F CA -1.175 56.818 58.000 -0.012 0.000 0.957 151 F CB 1.683 40.674 39.000 -0.015 0.000 1.278 151 F HN -0.276 8.024 8.300 -0.000 0.000 0.484 152 I N -1.079 119.619 120.570 0.213 0.000 2.827 152 I HA 0.604 4.773 4.170 -0.001 0.000 0.298 152 I C -1.654 174.545 176.117 0.135 0.000 1.235 152 I CA -0.705 60.671 61.300 0.126 0.000 1.021 152 I CB 2.455 40.487 38.000 0.053 0.000 1.259 152 I HN 0.622 8.832 8.210 -0.000 0.000 0.427 153 E N 5.660 125.914 120.200 0.089 0.000 2.216 153 E HA 0.538 4.888 4.350 -0.001 0.000 0.260 153 E C -1.295 175.285 176.600 -0.035 0.000 0.880 153 E CA -0.760 55.691 56.400 0.086 0.000 0.765 153 E CB 1.610 31.410 29.700 0.167 0.000 1.174 153 E HN 0.690 9.050 8.360 -0.000 0.000 0.417 154 I N 3.342 123.895 120.570 -0.029 0.000 2.575 154 I HA 0.046 4.215 4.170 -0.001 0.000 0.285 154 I C 0.615 176.674 176.117 -0.097 0.000 1.085 154 I CA -0.215 61.029 61.300 -0.093 0.000 1.403 154 I CB 0.599 38.571 38.000 -0.045 0.000 1.409 154 I HN 0.587 8.797 8.210 -0.000 0.000 0.557 155 H N 4.835 123.686 119.070 -0.364 0.000 3.067 155 H HA 0.085 4.641 4.556 -0.001 0.000 0.265 155 H C 0.757 176.056 175.328 -0.048 0.000 1.234 155 H CA -0.588 55.263 56.048 -0.327 0.000 1.452 155 H CB 0.635 30.064 29.762 -0.556 0.000 1.527 155 H HN 0.744 9.024 8.280 -0.000 0.000 0.486 156 T N 0.894 115.632 114.554 0.306 0.000 3.252 156 T HA 0.039 4.388 4.350 -0.001 0.000 0.250 156 T C 1.962 176.846 174.700 0.306 0.000 1.123 156 T CA 0.117 62.359 62.100 0.236 0.000 1.006 156 T CB 0.182 69.173 68.868 0.205 0.000 0.992 156 T HN 0.672 8.912 8.240 -0.000 0.000 0.547 157 G N 0.995 109.977 108.800 0.303 0.000 2.511 157 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 157 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 157 G C 1.771 176.693 174.900 0.036 0.000 1.218 157 G CA 0.888 46.110 45.100 0.204 0.000 0.788 157 G HN 0.592 8.882 8.290 -0.000 0.000 0.560 158 C N -0.451 118.773 119.300 -0.127 0.000 2.403 158 C HA -0.108 4.352 4.460 -0.001 0.000 0.277 158 C C 2.479 177.489 174.990 0.033 0.000 1.248 158 C CA 0.977 59.961 59.018 -0.056 0.000 1.762 158 C CB -1.085 26.599 27.740 -0.092 0.000 2.014 158 C HN 0.577 8.807 8.230 -0.000 0.000 0.486 159 Y N 1.506 121.787 120.300 -0.032 0.000 2.242 159 Y HA -0.019 4.531 4.550 -0.001 0.000 0.291 159 Y C 2.294 178.206 175.900 0.021 0.000 1.137 159 Y CA 1.608 59.706 58.100 -0.003 0.000 1.181 159 Y CB -0.524 37.938 38.460 0.005 0.000 0.989 159 Y HN 0.213 8.493 8.280 -0.000 0.000 0.527 160 A N 0.185 122.985 122.820 -0.034 0.000 1.930 160 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 160 A C 1.497 179.022 177.584 -0.098 0.000 1.175 160 A CA 1.747 53.725 52.037 -0.098 0.000 0.627 160 A CB -0.579 18.485 19.000 0.107 0.000 0.815 160 A HN 0.600 8.750 8.150 -0.000 0.000 0.443 161 D N 0.459 120.834 120.400 -0.041 0.000 2.328 161 D HA 0.300 4.940 4.640 -0.001 0.000 0.221 161 D C 0.668 176.933 176.300 -0.058 0.000 1.072 161 D CA 0.595 54.578 54.000 -0.029 0.000 0.850 161 D CB -0.317 40.487 40.800 0.007 0.000 0.922 161 D HN 0.406 8.776 8.370 -0.000 0.000 0.516 162 A N 1.132 123.887 122.820 -0.108 0.000 2.566 162 A HA -0.088 4.232 4.320 -0.001 0.000 0.245 162 A C 1.362 178.901 177.584 -0.076 0.000 1.056 162 A CA 0.264 52.242 52.037 -0.097 0.000 0.757 162 A CB 0.368 19.277 19.000 -0.153 0.000 0.979 162 A HN 0.017 8.167 8.150 -0.000 0.000 0.508 163 K N 0.600 120.972 120.400 -0.047 0.000 2.137 163 K HA -0.006 4.314 4.320 -0.001 0.000 0.202 163 K C 1.113 177.693 176.600 -0.034 0.000 1.052 163 K CA 1.533 57.799 56.287 -0.036 0.000 0.961 163 K CB 0.030 32.516 32.500 -0.023 0.000 0.741 163 K HN 0.935 9.185 8.250 -0.000 0.000 0.452 164 T N -2.142 112.393 114.554 -0.031 0.000 2.905 164 T HA 0.204 4.554 4.350 -0.001 0.000 0.283 164 T C 0.352 175.037 174.700 -0.026 0.000 1.031 164 T CA -0.911 61.174 62.100 -0.024 0.000 1.002 164 T CB 1.365 70.224 68.868 -0.015 0.000 1.200 164 T HN -0.189 8.051 8.240 -0.000 0.000 0.560 165 D N -0.128 120.262 120.400 -0.016 0.000 2.317 165 D HA 0.155 4.795 4.640 -0.001 0.000 0.211 165 D C 2.019 178.320 176.300 0.002 0.000 0.966 165 D CA 0.948 54.943 54.000 -0.009 0.000 0.876 165 D CB -0.261 40.537 40.800 -0.002 0.000 0.927 165 D HN 0.658 9.028 8.370 -0.000 0.000 0.519 166 A N 0.926 123.746 122.820 -0.000 0.000 1.861 166 A HA -0.110 4.210 4.320 -0.001 0.000 0.212 166 A C 2.097 179.685 177.584 0.007 0.000 1.199 166 A CA 1.030 53.070 52.037 0.005 0.000 0.613 166 A CB -0.477 18.524 19.000 0.002 0.000 0.846 166 A HN 0.133 8.283 8.150 -0.000 0.000 0.446 167 E N -0.353 119.846 120.200 -0.002 0.000 2.114 167 E HA -0.334 4.015 4.350 -0.001 0.000 0.199 167 E C 2.196 178.801 176.600 0.008 0.000 1.008 167 E CA 1.821 58.220 56.400 -0.003 0.000 0.810 167 E CB -0.145 29.546 29.700 -0.015 0.000 0.739 167 E HN 0.747 9.107 8.360 -0.000 0.000 0.456 168 Q N -0.216 119.581 119.800 -0.006 0.000 2.046 168 Q HA -0.157 4.183 4.340 -0.001 0.000 0.200 168 Q C 2.082 178.147 176.000 0.108 0.000 0.975 168 Q CA 1.494 57.299 55.803 0.003 0.000 0.836 168 Q CB -0.226 28.465 28.738 -0.079 0.000 0.896 168 Q HN 0.327 8.597 8.270 -0.000 0.000 0.428 169 A N 0.240 123.104 122.820 0.074 0.000 2.019 169 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 169 A C 1.962 179.588 177.584 0.070 0.000 1.164 169 A CA 1.420 53.506 52.037 0.082 0.000 0.644 169 A CB -0.381 18.648 19.000 0.049 0.000 0.805 169 A HN 0.389 8.539 8.150 -0.000 0.000 0.449 170 Q N -0.236 119.596 119.800 0.054 0.000 2.096 170 Q HA -0.055 4.284 4.340 -0.001 0.000 0.197 170 Q C 1.908 177.935 176.000 0.045 0.000 0.964 170 Q CA 1.254 57.078 55.803 0.036 0.000 0.838 170 Q CB -0.327 28.422 28.738 0.019 0.000 0.906 170 Q HN 0.660 8.930 8.270 -0.000 0.000 0.444 171 E N 0.483 120.732 120.200 0.082 0.000 2.150 171 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 171 E C 2.029 178.684 176.600 0.092 0.000 0.985 171 E CA 0.232 56.691 56.400 0.098 0.000 0.814 171 E CB -0.172 29.626 29.700 0.163 0.000 0.752 171 E HN 0.292 8.652 8.360 -0.000 0.000 0.466 172 L N 0.659 121.966 121.223 0.140 0.000 1.970 172 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 172 L C 2.366 179.220 176.870 -0.028 0.000 1.071 172 L CA 1.679 56.524 54.840 0.009 0.000 0.751 172 L CB -0.482 41.626 42.059 0.082 0.000 0.889 172 L HN 0.082 8.312 8.230 -0.000 0.000 0.432 173 A N -0.078 122.746 122.820 0.006 0.000 1.927 173 A HA -0.321 3.998 4.320 -0.001 0.000 0.220 173 A C 2.357 179.929 177.584 -0.020 0.000 1.185 173 A CA 2.204 54.237 52.037 -0.006 0.000 0.639 173 A CB -0.751 18.252 19.000 0.004 0.000 0.820 173 A HN 0.544 8.694 8.150 -0.000 0.000 0.451 174 R N -0.408 120.080 120.500 -0.021 0.000 2.081 174 R HA -0.080 4.260 4.340 -0.001 0.000 0.235 174 R C 1.944 178.214 176.300 -0.050 0.000 1.131 174 R CA 1.801 57.879 56.100 -0.038 0.000 0.960 174 R CB -0.356 29.923 30.300 -0.034 0.000 0.856 174 R HN 0.581 8.851 8.270 -0.000 0.000 0.436 175 I N 0.451 120.986 120.570 -0.058 0.000 2.286 175 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 175 I C 2.565 178.649 176.117 -0.055 0.000 1.104 175 I CA 1.043 62.301 61.300 -0.071 0.000 1.397 175 I CB -0.398 37.530 38.000 -0.120 0.000 1.072 175 I HN 0.275 8.485 8.210 -0.000 0.000 0.417 176 A N 1.285 124.072 122.820 -0.055 0.000 1.908 176 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 176 A C 2.599 180.177 177.584 -0.009 0.000 1.181 176 A CA 2.736 54.752 52.037 -0.034 0.000 0.627 176 A CB -0.916 18.066 19.000 -0.031 0.000 0.818 176 A HN 0.394 8.544 8.150 -0.000 0.000 0.445 177 K N -0.690 119.706 120.400 -0.008 0.000 2.062 177 K HA 0.298 4.617 4.320 -0.001 0.000 0.205 177 K C 2.403 179.029 176.600 0.043 0.000 1.051 177 K CA 1.728 58.023 56.287 0.014 0.000 0.941 177 K CB -1.385 31.111 32.500 -0.006 0.000 0.719 177 K HN 0.912 9.162 8.250 -0.000 0.000 0.440 178 A N 1.145 123.967 122.820 0.003 0.000 1.933 178 A HA 0.221 4.540 4.320 -0.001 0.000 0.218 178 A C 2.763 180.402 177.584 0.092 0.000 1.175 178 A CA 2.098 54.147 52.037 0.020 0.000 0.628 178 A CB -0.788 18.187 19.000 -0.042 0.000 0.814 178 A HN 0.880 9.030 8.150 -0.000 0.000 0.444 179 A N -1.057 121.788 122.820 0.042 0.000 1.930 179 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 179 A C 2.274 179.885 177.584 0.044 0.000 1.175 179 A CA 2.175 54.232 52.037 0.033 0.000 0.627 179 A CB -1.067 17.936 19.000 0.005 0.000 0.815 179 A HN 0.433 8.583 8.150 -0.000 0.000 0.443 180 T N -1.048 113.540 114.554 0.057 0.000 2.857 180 T HA -0.056 4.293 4.350 -0.001 0.000 0.266 180 T C 1.594 176.337 174.700 0.071 0.000 1.048 180 T CA 1.278 63.406 62.100 0.047 0.000 1.139 180 T CB -0.355 68.540 68.868 0.045 0.000 0.874 180 T HN 0.464 8.704 8.240 -0.000 0.000 0.455 181 F N 2.357 122.287 119.950 -0.033 0.000 2.102 181 F HA -0.008 4.519 4.527 -0.001 0.000 0.298 181 F C 2.460 178.237 175.800 -0.038 0.000 1.105 181 F CA 1.092 59.072 58.000 -0.032 0.000 1.239 181 F CB -0.536 38.446 39.000 -0.031 0.000 0.991 181 F HN 0.140 8.440 8.300 -0.000 0.000 0.474 182 A N 0.382 123.281 122.820 0.132 0.000 1.902 182 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 182 A C 2.395 179.921 177.584 -0.097 0.000 1.181 182 A CA 1.787 53.833 52.037 0.014 0.000 0.623 182 A CB -1.582 17.449 19.000 0.051 0.000 0.818 182 A HN 0.507 8.657 8.150 -0.000 0.000 0.443 183 A N 0.391 123.165 122.820 -0.077 0.000 1.902 183 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 183 A C 2.441 179.950 177.584 -0.125 0.000 1.181 183 A CA 2.274 54.253 52.037 -0.098 0.000 0.623 183 A CB -1.041 17.920 19.000 -0.066 0.000 0.818 183 A HN 1.110 9.260 8.150 -0.000 0.000 0.443 184 S N -1.187 114.422 115.700 -0.152 0.000 2.500 184 S HA -0.008 4.461 4.470 -0.001 0.000 0.239 184 S C 1.136 175.608 174.600 -0.214 0.000 0.989 184 S CA 1.248 59.342 58.200 -0.176 0.000 0.951 184 S CB -0.230 62.845 63.200 -0.208 0.000 0.759 184 S HN 0.201 8.511 8.310 -0.000 0.000 0.523 185 L N 0.975 122.056 121.223 -0.238 0.000 2.640 185 L HA 0.468 4.807 4.340 -0.001 0.000 0.230 185 L C 1.642 178.426 176.870 -0.144 0.000 1.123 185 L CA 0.629 55.341 54.840 -0.214 0.000 0.900 185 L CB -0.353 41.552 42.059 -0.256 0.000 1.146 185 L HN 0.539 8.769 8.230 -0.000 0.000 0.484 186 G N -0.117 108.602 108.800 -0.135 0.000 2.137 186 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.237 186 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.237 186 G C 0.119 174.933 174.900 -0.144 0.000 1.002 186 G CA 0.153 45.180 45.100 -0.122 0.000 0.702 186 G HN 0.245 8.535 8.290 -0.000 0.000 0.515 187 L N -0.356 120.773 121.223 -0.155 0.000 2.334 187 L HA 0.607 4.946 4.340 -0.001 0.000 0.275 187 L C 0.659 177.360 176.870 -0.282 0.000 1.036 187 L CA -0.969 53.755 54.840 -0.193 0.000 0.807 187 L CB 1.458 43.445 42.059 -0.119 0.000 1.231 187 L HN 0.015 8.245 8.230 -0.000 0.000 0.438 188 K N 1.504 121.592 120.400 -0.521 0.000 2.130 188 K HA 0.577 4.897 4.320 -0.001 0.000 0.268 188 K C -0.865 175.500 176.600 -0.392 0.000 0.983 188 K CA -0.601 55.284 56.287 -0.670 0.000 0.893 188 K CB 2.158 33.731 32.500 -1.545 0.000 1.066 188 K HN 0.398 8.648 8.250 -0.000 0.000 0.450 189 V N 0.224 120.063 119.914 -0.126 0.000 2.680 189 V HA 0.579 4.698 4.120 -0.001 0.000 0.309 189 V C -0.979 175.208 176.094 0.155 0.000 1.052 189 V CA -0.670 61.652 62.300 0.037 0.000 0.908 189 V CB 1.732 33.563 31.823 0.013 0.000 1.001 189 V HN 0.680 8.870 8.190 -0.000 0.000 0.431 190 N N 2.275 121.078 118.700 0.172 0.000 2.701 190 N HA 0.997 5.736 4.740 -0.001 0.000 0.290 190 N C -0.259 175.303 175.510 0.087 0.000 1.338 190 N CA 0.188 53.325 53.050 0.145 0.000 0.799 190 N CB 2.214 40.786 38.487 0.141 0.000 1.491 190 N HN 1.273 9.653 8.380 -0.000 0.000 0.540 191 A N -1.900 120.965 122.820 0.075 0.000 2.809 191 A HA 0.766 5.085 4.320 -0.001 0.000 0.310 191 A C 0.227 177.869 177.584 0.096 0.000 1.138 191 A CA 0.292 52.379 52.037 0.083 0.000 0.610 191 A CB 0.478 19.501 19.000 0.037 0.000 1.432 191 A HN 0.941 9.091 8.150 -0.000 0.000 0.597 192 G N -1.583 107.290 108.800 0.122 0.000 3.033 192 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.196 192 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.196 192 G C 0.259 175.245 174.900 0.144 0.000 1.078 192 G CA 0.411 45.570 45.100 0.098 0.000 0.805 192 G HN 1.575 9.865 8.290 -0.000 0.000 0.472 193 H N 2.130 121.287 119.070 0.145 0.000 3.192 193 H HA 0.318 4.874 4.556 -0.001 0.000 0.295 193 H C 1.661 177.104 175.328 0.192 0.000 0.943 193 H CA 2.199 58.344 56.048 0.162 0.000 1.416 193 H CB 0.087 30.002 29.762 0.256 0.000 1.434 193 H HN 1.582 9.862 8.280 -0.000 0.000 0.565 194 G N 4.486 113.228 108.800 -0.096 0.000 2.225 194 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.254 194 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.254 194 G C 0.565 175.524 174.900 0.098 0.000 0.988 194 G CA 0.226 45.365 45.100 0.065 0.000 0.625 194 G HN 0.612 8.902 8.290 -0.000 0.000 0.527 195 L N 2.097 123.375 121.223 0.091 0.000 2.453 195 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 195 L C 1.436 178.299 176.870 -0.012 0.000 1.182 195 L CA 0.777 55.666 54.840 0.082 0.000 0.858 195 L CB 0.684 42.778 42.059 0.059 0.000 1.120 195 L HN 0.521 8.751 8.230 -0.000 0.000 0.474 196 T N -1.462 113.095 114.554 0.006 0.000 2.841 196 T HA 0.296 4.645 4.350 -0.001 0.000 0.276 196 T C 0.869 175.499 174.700 -0.116 0.000 1.003 196 T CA -0.519 61.557 62.100 -0.040 0.000 0.995 196 T CB 0.566 69.499 68.868 0.109 0.000 1.260 196 T HN 0.354 8.594 8.240 -0.000 0.000 0.581 197 Y N -0.476 119.829 120.300 0.009 0.000 2.497 197 Y HA 0.067 4.617 4.550 -0.001 0.000 0.292 197 Y C 2.248 178.027 175.900 -0.200 0.000 1.137 197 Y CA 1.219 59.255 58.100 -0.107 0.000 1.285 197 Y CB -0.414 37.939 38.460 -0.179 0.000 0.991 197 Y HN 0.754 9.034 8.280 -0.000 0.000 0.556 198 H N -1.573 117.579 119.070 0.137 0.000 2.622 198 H HA 0.123 4.679 4.556 -0.001 0.000 0.269 198 H C 1.127 176.497 175.328 0.071 0.000 0.977 198 H CA 0.616 56.719 56.048 0.092 0.000 1.179 198 H CB 0.167 29.971 29.762 0.070 0.000 1.458 198 H HN 0.486 8.766 8.280 -0.000 0.000 0.531 199 N N -0.730 118.070 118.700 0.168 0.000 2.143 199 N HA -0.017 4.722 4.740 -0.001 0.000 0.222 199 N C 1.055 176.706 175.510 0.235 0.000 1.264 199 N CA 0.190 53.355 53.050 0.192 0.000 0.897 199 N CB 0.347 38.899 38.487 0.108 0.000 1.092 199 N HN 0.035 8.415 8.380 -0.000 0.000 0.516 200 V N 1.913 121.896 119.914 0.115 0.000 2.407 200 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 200 V C 2.238 178.356 176.094 0.041 0.000 1.055 200 V CA 1.811 64.145 62.300 0.057 0.000 1.049 200 V CB -0.466 31.333 31.823 -0.041 0.000 0.662 200 V HN 0.217 8.407 8.190 -0.000 0.000 0.455 201 K N -0.100 120.328 120.400 0.046 0.000 2.103 201 K HA -0.154 4.165 4.320 -0.001 0.000 0.207 201 K C 2.220 178.837 176.600 0.027 0.000 1.048 201 K CA 1.506 57.811 56.287 0.031 0.000 0.930 201 K CB -0.426 32.096 32.500 0.035 0.000 0.716 201 K HN 0.597 8.847 8.250 -0.000 0.000 0.444 202 A N 1.207 124.061 122.820 0.056 0.000 1.933 202 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 202 A C 1.963 179.512 177.584 -0.060 0.000 1.175 202 A CA 1.177 53.229 52.037 0.026 0.000 0.628 202 A CB -0.327 18.732 19.000 0.099 0.000 0.814 202 A HN 0.107 8.257 8.150 -0.000 0.000 0.444 203 I N -0.295 120.216 120.570 -0.099 0.000 2.333 203 I HA -0.127 4.042 4.170 -0.001 0.000 0.246 203 I C 2.899 178.972 176.117 -0.072 0.000 1.106 203 I CA 1.306 62.516 61.300 -0.149 0.000 1.411 203 I CB -1.646 36.251 38.000 -0.172 0.000 1.082 203 I HN 0.336 8.546 8.210 -0.000 0.000 0.420 204 A N 1.031 123.825 122.820 -0.042 0.000 1.972 204 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 204 A C 2.444 180.014 177.584 -0.023 0.000 1.169 204 A CA 1.743 53.762 52.037 -0.029 0.000 0.635 204 A CB -0.613 18.373 19.000 -0.023 0.000 0.810 204 A HN 0.411 8.561 8.150 -0.000 0.000 0.446 205 A N -0.538 122.269 122.820 -0.021 0.000 2.119 205 A HA 0.223 4.542 4.320 -0.001 0.000 0.217 205 A C 0.966 178.540 177.584 -0.018 0.000 1.153 205 A CA 0.076 52.105 52.037 -0.014 0.000 0.692 205 A CB -0.458 18.537 19.000 -0.007 0.000 0.799 205 A HN 0.467 8.617 8.150 -0.000 0.000 0.458 206 I N 1.005 121.557 120.570 -0.029 0.000 2.581 206 I HA 0.022 4.192 4.170 -0.001 0.000 0.285 206 I C -1.419 174.691 176.117 -0.012 0.000 1.129 206 I CA -1.390 59.894 61.300 -0.027 0.000 1.397 206 I CB 1.097 39.071 38.000 -0.044 0.000 1.399 206 I HN 0.104 8.314 8.210 -0.000 0.000 0.537 207 P HA -0.208 4.212 4.420 -0.000 0.000 0.216 207 P C 0.941 178.246 177.300 0.008 0.000 1.154 207 P CA 1.386 64.487 63.100 0.001 0.000 0.865 207 P CB 0.214 31.914 31.700 -0.000 0.000 0.789 208 E N -1.764 118.440 120.200 0.006 0.000 2.338 208 E HA -0.037 4.312 4.350 -0.001 0.000 0.197 208 E C 0.579 177.199 176.600 0.033 0.000 1.007 208 E CA 0.462 56.868 56.400 0.010 0.000 0.849 208 E CB -0.622 29.077 29.700 -0.001 0.000 0.774 208 E HN 0.184 8.544 8.360 -0.000 0.000 0.506 209 M N 0.615 120.233 119.600 0.030 0.000 2.252 209 M HA -0.043 4.436 4.480 -0.001 0.000 0.348 209 M C 1.224 177.582 176.300 0.097 0.000 1.334 209 M CA 0.925 56.255 55.300 0.051 0.000 1.071 209 M CB 0.232 32.840 32.600 0.014 0.000 1.763 209 M HN 0.187 8.477 8.290 -0.000 0.000 0.452 210 H N 1.794 120.891 119.070 0.044 0.000 2.368 210 H HA 0.270 4.826 4.556 -0.001 0.000 0.311 210 H C -0.303 175.056 175.328 0.051 0.000 1.042 210 H CA 0.594 56.687 56.048 0.076 0.000 1.377 210 H CB 1.029 30.900 29.762 0.181 0.000 1.473 210 H HN 0.743 9.023 8.280 -0.000 0.000 0.593 211 E N 0.606 120.807 120.200 0.001 0.000 2.331 211 E HA 0.356 4.705 4.350 -0.001 0.000 0.275 211 E C -1.586 174.995 176.600 -0.032 0.000 0.895 211 E CA -0.597 55.742 56.400 -0.102 0.000 0.753 211 E CB 2.248 31.864 29.700 -0.141 0.000 1.216 211 E HN 0.217 8.577 8.360 -0.000 0.000 0.434 212 L N 3.777 124.970 121.223 -0.051 0.000 2.272 212 L HA 0.437 4.777 4.340 -0.001 0.000 0.289 212 L C -0.468 176.378 176.870 -0.040 0.000 1.032 212 L CA -0.855 53.967 54.840 -0.030 0.000 0.810 212 L CB 1.210 43.247 42.059 -0.037 0.000 1.205 212 L HN 0.446 8.676 8.230 -0.000 0.000 0.422 213 N N 5.809 124.497 118.700 -0.019 0.000 2.589 213 N HA 0.481 5.220 4.740 -0.001 0.000 0.232 213 N C -0.712 174.781 175.510 -0.028 0.000 1.015 213 N CA -0.069 52.963 53.050 -0.030 0.000 0.931 213 N CB 1.407 39.882 38.487 -0.020 0.000 1.150 213 N HN 0.447 8.827 8.380 -0.000 0.000 0.512 214 I N -0.413 120.121 120.570 -0.060 0.000 2.603 214 I HA 0.520 4.690 4.170 -0.001 0.000 0.300 214 I C 1.127 177.179 176.117 -0.108 0.000 1.017 214 I CA -0.653 60.594 61.300 -0.089 0.000 1.098 214 I CB 2.341 40.273 38.000 -0.113 0.000 1.279 214 I HN 0.428 8.638 8.210 -0.000 0.000 0.437 215 G N 1.529 110.245 108.800 -0.141 0.000 2.892 215 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.184 215 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.184 215 G C 1.231 176.014 174.900 -0.195 0.000 1.238 215 G CA 0.054 45.056 45.100 -0.162 0.000 0.722 215 G HN 0.686 8.976 8.290 -0.000 0.000 0.777 216 H N 1.284 120.119 119.070 -0.392 0.000 2.362 216 H HA -0.170 4.386 4.556 -0.001 0.000 0.294 216 H C 2.567 177.813 175.328 -0.137 0.000 1.113 216 H CA 2.049 57.868 56.048 -0.381 0.000 1.253 216 H CB 0.026 29.559 29.762 -0.382 0.000 1.363 216 H HN 0.312 8.592 8.280 -0.000 0.000 0.494 217 A N 0.485 123.196 122.820 -0.181 0.000 2.066 217 A HA -0.006 4.313 4.320 -0.001 0.000 0.218 217 A C 2.657 180.244 177.584 0.004 0.000 1.157 217 A CA 0.773 52.737 52.037 -0.121 0.000 0.670 217 A CB -0.382 18.572 19.000 -0.077 0.000 0.804 217 A HN 0.434 8.584 8.150 -0.000 0.000 0.453 218 I N -0.039 120.500 120.570 -0.052 0.000 2.193 218 I HA -0.167 4.002 4.170 -0.001 0.000 0.240 218 I C 2.013 178.152 176.117 0.036 0.000 1.084 218 I CA 0.691 62.025 61.300 0.056 0.000 1.365 218 I CB -0.216 37.776 38.000 -0.013 0.000 1.064 218 I HN 0.196 8.406 8.210 -0.000 0.000 0.410 219 I N 1.128 121.671 120.570 -0.045 0.000 2.208 219 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 219 I C 2.660 178.755 176.117 -0.036 0.000 1.097 219 I CA 1.777 63.061 61.300 -0.028 0.000 1.363 219 I CB -2.188 35.801 38.000 -0.017 0.000 1.051 219 I HN 0.242 8.452 8.210 -0.000 0.000 0.413 220 G N 0.398 109.130 108.800 -0.113 0.000 2.471 220 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 220 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 220 G C 1.894 176.774 174.900 -0.034 0.000 1.125 220 G CA 0.745 45.780 45.100 -0.109 0.000 0.775 220 G HN 0.287 8.577 8.290 -0.000 0.000 0.548 221 R N 0.701 121.207 120.500 0.009 0.000 2.112 221 R HA 0.358 4.697 4.340 -0.001 0.000 0.216 221 R C 2.659 178.939 176.300 -0.035 0.000 1.080 221 R CA 1.407 57.487 56.100 -0.033 0.000 0.996 221 R CB -0.778 29.470 30.300 -0.087 0.000 0.902 221 R HN 0.114 8.384 8.270 -0.000 0.000 0.449 222 A N 0.512 123.333 122.820 0.001 0.000 1.940 222 A HA -0.122 4.197 4.320 -0.001 0.000 0.219 222 A C 2.112 179.695 177.584 -0.001 0.000 1.176 222 A CA 1.909 53.948 52.037 0.003 0.000 0.631 222 A CB -0.866 18.146 19.000 0.020 0.000 0.814 222 A HN 0.194 8.344 8.150 -0.000 0.000 0.446 223 V N -0.949 118.965 119.914 0.001 0.000 2.546 223 V HA -0.309 3.810 4.120 -0.001 0.000 0.254 223 V C 2.384 178.476 176.094 -0.003 0.000 1.076 223 V CA 1.964 64.268 62.300 0.006 0.000 1.087 223 V CB -1.000 30.829 31.823 0.010 0.000 0.674 223 V HN 0.513 8.703 8.190 -0.000 0.000 0.470 224 M N 0.956 120.547 119.600 -0.015 0.000 2.556 224 M HA 0.041 4.520 4.480 -0.001 0.000 0.259 224 M C 2.352 178.636 176.300 -0.027 0.000 1.175 224 M CA 2.064 57.351 55.300 -0.022 0.000 1.202 224 M CB -1.346 31.234 32.600 -0.033 0.000 1.298 224 M HN 0.611 8.901 8.290 -0.000 0.000 0.492 225 T N -1.802 112.730 114.554 -0.037 0.000 3.044 225 T HA 0.445 4.794 4.350 -0.001 0.000 0.250 225 T C 0.875 175.561 174.700 -0.023 0.000 1.081 225 T CA 0.555 62.632 62.100 -0.038 0.000 1.040 225 T CB 0.068 68.897 68.868 -0.065 0.000 0.962 225 T HN 0.600 8.840 8.240 -0.000 0.000 0.506 226 G N 0.671 109.464 108.800 -0.012 0.000 2.788 226 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.686 226 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.686 226 G C 0.196 175.100 174.900 0.008 0.000 1.147 226 G CA -0.272 44.828 45.100 0.000 0.000 0.755 226 G HN 0.312 8.602 8.290 -0.000 0.000 0.634 227 L N 0.836 122.070 121.223 0.019 0.000 2.021 227 L HA -0.183 4.156 4.340 -0.001 0.000 0.215 227 L C 3.089 179.978 176.870 0.031 0.000 1.074 227 L CA 2.808 57.665 54.840 0.029 0.000 0.760 227 L CB -0.300 41.780 42.059 0.035 0.000 0.889 227 L HN 0.889 9.119 8.230 -0.000 0.000 0.433 228 K N -0.052 120.364 120.400 0.026 0.000 2.000 228 K HA -0.263 4.056 4.320 -0.001 0.000 0.218 228 K C 1.719 178.333 176.600 0.023 0.000 1.053 228 K CA 2.336 58.638 56.287 0.025 0.000 0.946 228 K CB -0.149 32.363 32.500 0.019 0.000 0.723 228 K HN 0.326 8.576 8.250 -0.000 0.000 0.446 229 D N 0.008 120.415 120.400 0.011 0.000 2.144 229 D HA -0.141 4.499 4.640 -0.001 0.000 0.199 229 D C 1.824 178.133 176.300 0.015 0.000 0.984 229 D CA 1.253 55.255 54.000 0.003 0.000 0.834 229 D CB -0.223 40.566 40.800 -0.018 0.000 0.955 229 D HN 0.424 8.794 8.370 -0.000 0.000 0.465 230 A N 0.912 123.746 122.820 0.023 0.000 1.865 230 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 230 A C 2.599 180.283 177.584 0.168 0.000 1.191 230 A CA 1.433 53.518 52.037 0.081 0.000 0.623 230 A CB -0.868 18.183 19.000 0.085 0.000 0.826 230 A HN 0.139 8.289 8.150 -0.000 0.000 0.444 231 V N -0.163 119.808 119.914 0.095 0.000 2.261 231 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 231 V C 3.083 179.214 176.094 0.063 0.000 1.047 231 V CA 2.017 64.358 62.300 0.068 0.000 1.015 231 V CB -1.290 30.556 31.823 0.038 0.000 0.642 231 V HN 0.631 8.821 8.190 -0.000 0.000 0.446 232 A N -0.383 122.467 122.820 0.051 0.000 1.940 232 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 232 A C 2.165 179.780 177.584 0.052 0.000 1.176 232 A CA 2.212 54.273 52.037 0.039 0.000 0.631 232 A CB -0.492 18.523 19.000 0.026 0.000 0.814 232 A HN 0.572 8.722 8.150 -0.000 0.000 0.446 233 E N -1.174 119.078 120.200 0.086 0.000 2.107 233 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 233 E C 1.867 178.566 176.600 0.163 0.000 0.982 233 E CA 1.415 57.882 56.400 0.111 0.000 0.809 233 E CB -0.267 29.488 29.700 0.093 0.000 0.756 233 E HN 0.465 8.825 8.360 -0.000 0.000 0.459 234 M N 0.516 120.233 119.600 0.195 0.000 2.067 234 M HA -0.095 4.384 4.480 -0.001 0.000 0.260 234 M C 1.904 178.203 176.300 -0.002 0.000 1.069 234 M CA 1.683 57.001 55.300 0.031 0.000 1.117 234 M CB -0.417 32.125 32.600 -0.096 0.000 1.334 234 M HN -0.101 8.189 8.290 -0.000 0.000 0.407 235 K N 0.105 120.510 120.400 0.008 0.000 2.044 235 K HA -0.193 4.126 4.320 -0.001 0.000 0.210 235 K C 2.232 178.832 176.600 0.001 0.000 1.049 235 K CA 2.045 58.329 56.287 -0.004 0.000 0.927 235 K CB -0.590 31.911 32.500 0.001 0.000 0.713 235 K HN 0.458 8.708 8.250 -0.000 0.000 0.443 236 R N 0.054 120.564 120.500 0.016 0.000 2.091 236 R HA -0.088 4.252 4.340 -0.001 0.000 0.238 236 R C 2.253 178.560 176.300 0.011 0.000 1.136 236 R CA 1.666 57.774 56.100 0.014 0.000 0.959 236 R CB -0.349 29.963 30.300 0.020 0.000 0.856 236 R HN 0.234 8.504 8.270 -0.000 0.000 0.437 237 L N 0.102 121.335 121.223 0.018 0.000 2.083 237 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 237 L C 2.641 179.509 176.870 -0.002 0.000 1.083 237 L CA 1.357 56.204 54.840 0.012 0.000 0.752 237 L CB -0.327 41.742 42.059 0.018 0.000 0.899 237 L HN 0.328 8.558 8.230 -0.000 0.000 0.433 238 M N -0.835 118.757 119.600 -0.013 0.000 2.086 238 M HA -0.214 4.266 4.480 -0.001 0.000 0.261 238 M C 2.184 178.477 176.300 -0.013 0.000 1.067 238 M CA 1.566 56.855 55.300 -0.019 0.000 1.116 238 M CB -0.235 32.346 32.600 -0.032 0.000 1.348 238 M HN 0.186 8.476 8.290 -0.000 0.000 0.407 239 L N -0.076 121.141 121.223 -0.010 0.000 2.201 239 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 239 L C 2.087 178.956 176.870 -0.002 0.000 1.105 239 L CA 1.695 56.531 54.840 -0.007 0.000 0.775 239 L CB -0.998 41.059 42.059 -0.004 0.000 0.913 239 L HN 0.425 8.655 8.230 -0.000 0.000 0.440 240 E N -0.190 120.011 120.200 0.001 0.000 2.106 240 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 240 E C 2.277 178.880 176.600 0.004 0.000 0.984 240 E CA 1.025 57.428 56.400 0.004 0.000 0.806 240 E CB 0.053 29.757 29.700 0.007 0.000 0.750 240 E HN 0.451 8.811 8.360 -0.000 0.000 0.458 241 A N 1.405 124.227 122.820 0.002 0.000 1.940 241 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 241 A C 1.879 179.463 177.584 0.001 0.000 1.176 241 A CA 1.169 53.208 52.037 0.003 0.000 0.631 241 A CB -0.244 18.755 19.000 -0.001 0.000 0.814 241 A HN 0.045 8.195 8.150 -0.000 0.000 0.446 242 R N -0.119 120.380 120.500 -0.002 0.000 2.320 242 R HA 0.124 4.464 4.340 -0.001 0.000 0.211 242 R C 0.818 177.118 176.300 0.000 0.000 0.931 242 R CA 0.626 56.725 56.100 -0.002 0.000 1.071 242 R CB -0.400 29.898 30.300 -0.005 0.000 1.025 242 R HN 0.446 8.716 8.270 -0.000 0.000 0.495 243 G N 0.000 108.801 108.800 0.002 0.000 5.446 243 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 243 G HA3 0.000 3.959 3.960 -0.001 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