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 1ta4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXLKSAFDI EELKKLDIIV TCQGGDYTNE VYPKLKATGW DGYWVDAASA DATA SEQUENCE LRMKDDAIIV LDPVNQHVIS EGLKKGIKTF VGGNCTVSLM LMAIGGLFEK DATA SEQUENCE DLVEWISVAT YQAASGAGAK NMRELLSQMG LLEQAVSSEL KDPASSILDI DATA SEQUENCE ERKVTAKMRA DNFPTDNFGA ALGGSLIPWI DKLPETGQTK EEWKGYAETN DATA SEQUENCE KILGLDNPIP VDGLCVRIGA LRCHSQAFTI KLKKDLPLEE IEQIIASHNE DATA SEQUENCE WVKVIPNDKE ITLRELTPAK VTGTLSVPVG RLRKLAMGPE YLAAFTVGDQ DATA SEQUENCE LLWGAAEPVR RILKQLVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.615 32.600 0.026 0.000 1.302 2 K N 2.153 122.564 120.400 0.018 0.000 2.382 2 K HA 0.269 4.591 4.320 0.002 0.000 0.275 2 K C -0.483 176.141 176.600 0.040 0.000 1.009 2 K CA -0.331 55.972 56.287 0.027 0.000 0.970 2 K CB 0.389 32.893 32.500 0.006 0.000 0.934 2 K HN 0.486 8.736 8.250 -0.000 0.000 0.479 3 N N 1.985 120.720 118.700 0.059 0.000 2.419 3 N HA 0.164 4.905 4.740 0.002 0.000 0.264 3 N C -0.776 174.769 175.510 0.059 0.000 1.031 3 N CA -0.256 52.835 53.050 0.068 0.000 0.951 3 N CB 1.388 39.926 38.487 0.085 0.000 1.101 3 N HN 0.148 8.528 8.380 -0.000 0.000 0.488 4 V N 0.609 120.538 119.914 0.025 0.000 2.487 4 V HA 0.600 4.722 4.120 0.002 0.000 0.298 4 V C 0.741 176.729 176.094 -0.178 0.000 1.028 4 V CA -1.022 61.214 62.300 -0.106 0.000 0.860 4 V CB 1.751 33.461 31.823 -0.188 0.000 0.991 4 V HN 0.693 8.883 8.190 -0.000 0.000 0.427 5 G N 2.887 111.552 108.800 -0.224 0.000 2.367 5 G HA2 0.682 4.644 3.960 0.002 0.000 0.314 5 G HA3 0.682 4.644 3.960 0.002 0.000 0.314 5 G C -1.304 173.320 174.900 -0.460 0.000 1.130 5 G CA -0.259 44.811 45.100 -0.049 0.000 0.864 5 G HN 0.402 8.692 8.290 -0.000 0.000 0.486 6 F N 0.731 120.650 119.950 -0.051 0.000 2.507 6 F HA 0.568 5.096 4.527 0.001 0.000 0.325 6 F C 0.296 176.232 175.800 0.227 0.000 1.116 6 F CA -0.638 57.333 58.000 -0.048 0.000 0.930 6 F CB 2.175 41.027 39.000 -0.246 0.000 1.146 6 F HN 0.170 8.470 8.300 -0.000 0.000 0.447 7 I N 1.389 122.101 120.570 0.237 0.000 2.689 7 I HA 0.573 4.745 4.170 0.002 0.000 0.299 7 I C 0.652 176.812 176.117 0.071 0.000 1.059 7 I CA -1.169 60.193 61.300 0.102 0.000 1.055 7 I CB 1.986 39.773 38.000 -0.355 0.000 1.243 7 I HN 0.765 8.975 8.210 -0.000 0.000 0.425 8 G N 4.114 112.871 108.800 -0.071 0.000 2.273 8 G HA2 -0.214 3.747 3.960 0.002 0.000 0.280 8 G HA3 -0.214 3.747 3.960 0.002 0.000 0.280 8 G C 0.386 175.270 174.900 -0.026 0.000 1.047 8 G CA 0.632 45.646 45.100 -0.143 0.000 0.869 8 G HN 0.942 9.232 8.290 -0.000 0.000 0.502 9 W N -1.037 120.304 121.300 0.068 0.000 3.256 9 W HA 0.276 4.940 4.660 0.005 0.000 0.269 9 W C 1.176 177.728 176.519 0.056 0.000 1.310 9 W CA 0.208 57.620 57.345 0.112 0.000 1.673 9 W CB -0.357 29.247 29.460 0.240 0.000 1.115 9 W HN 0.367 8.547 8.180 -0.000 0.000 0.686 10 R N 0.636 120.800 120.500 -0.560 0.000 2.362 10 R HA 0.192 4.533 4.340 0.002 0.000 0.227 10 R C 1.524 177.681 176.300 -0.238 0.000 0.905 10 R CA 0.341 56.146 56.100 -0.492 0.000 1.067 10 R CB 0.326 30.148 30.300 -0.796 0.000 1.078 10 R HN 0.020 8.290 8.270 -0.000 0.000 0.516 11 G N 0.538 109.236 108.800 -0.170 0.000 2.553 11 G HA2 0.025 3.986 3.960 0.002 0.000 0.278 11 G HA3 0.025 3.986 3.960 0.002 0.000 0.278 11 G C 0.643 175.514 174.900 -0.049 0.000 1.349 11 G CA -0.521 44.520 45.100 -0.100 0.000 1.037 11 G HN 0.014 8.304 8.290 -0.000 0.000 0.508 12 M N -0.812 118.769 119.600 -0.032 0.000 2.059 12 M HA -0.105 4.376 4.480 0.002 0.000 0.259 12 M C 2.530 178.829 176.300 -0.002 0.000 1.072 12 M CA 1.584 56.875 55.300 -0.015 0.000 1.117 12 M CB -0.340 32.253 32.600 -0.013 0.000 1.320 12 M HN 0.243 8.533 8.290 -0.000 0.000 0.408 13 V N 0.452 120.367 119.914 0.002 0.000 2.287 13 V HA -0.228 3.894 4.120 0.002 0.000 0.248 13 V C 2.576 178.690 176.094 0.033 0.000 1.053 13 V CA 2.155 64.462 62.300 0.011 0.000 1.027 13 V CB -1.847 29.985 31.823 0.016 0.000 0.646 13 V HN 0.762 8.952 8.190 -0.000 0.000 0.447 14 G N -0.784 108.046 108.800 0.049 0.000 2.440 14 G HA2 -0.252 3.710 3.960 0.002 0.000 0.218 14 G HA3 -0.252 3.710 3.960 0.002 0.000 0.218 14 G C 1.853 176.832 174.900 0.132 0.000 1.154 14 G CA 1.185 46.355 45.100 0.116 0.000 0.767 14 G HN 0.504 8.794 8.290 -0.000 0.000 0.552 15 S N -0.225 115.522 115.700 0.079 0.000 2.383 15 S HA -0.101 4.371 4.470 0.002 0.000 0.229 15 S C 2.449 177.084 174.600 0.058 0.000 1.030 15 S CA 1.124 59.370 58.200 0.077 0.000 1.002 15 S CB -0.156 63.061 63.200 0.029 0.000 0.829 15 S HN 0.185 8.495 8.310 -0.000 0.000 0.467 16 V N 1.440 121.373 119.914 0.031 0.000 2.548 16 V HA -0.062 4.059 4.120 0.002 0.000 0.249 16 V C 2.119 178.212 176.094 -0.002 0.000 1.055 16 V CA 1.139 63.441 62.300 0.002 0.000 1.065 16 V CB -0.494 31.316 31.823 -0.022 0.000 0.681 16 V HN 0.371 8.561 8.190 -0.000 0.000 0.462 17 L N -0.454 120.783 121.223 0.024 0.000 2.027 17 L HA -0.115 4.227 4.340 0.002 0.000 0.206 17 L C 2.340 179.229 176.870 0.031 0.000 1.074 17 L CA 2.050 56.901 54.840 0.018 0.000 0.745 17 L CB -0.540 41.562 42.059 0.072 0.000 0.898 17 L HN 0.147 8.377 8.230 -0.000 0.000 0.433 18 M N -0.533 119.130 119.600 0.104 0.000 2.080 18 M HA -0.210 4.272 4.480 0.002 0.000 0.260 18 M C 2.004 178.380 176.300 0.126 0.000 1.068 18 M CA 1.686 57.086 55.300 0.165 0.000 1.109 18 M CB -1.480 31.243 32.600 0.205 0.000 1.342 18 M HN 0.296 8.586 8.290 -0.000 0.000 0.405 19 D N -0.209 120.233 120.400 0.070 0.000 2.097 19 D HA -0.124 4.518 4.640 0.002 0.000 0.195 19 D C 2.224 178.530 176.300 0.010 0.000 0.989 19 D CA 0.955 54.980 54.000 0.041 0.000 0.827 19 D CB -0.275 40.537 40.800 0.019 0.000 0.966 19 D HN 0.195 8.565 8.370 -0.000 0.000 0.456 20 R N 0.178 120.663 120.500 -0.025 0.000 2.081 20 R HA 0.006 4.348 4.340 0.002 0.000 0.235 20 R C 2.386 178.636 176.300 -0.083 0.000 1.131 20 R CA 0.568 56.628 56.100 -0.067 0.000 0.960 20 R CB -0.633 29.600 30.300 -0.112 0.000 0.856 20 R HN 0.328 8.598 8.270 -0.000 0.000 0.436 21 M N -0.290 119.246 119.600 -0.107 0.000 2.117 21 M HA -0.152 4.330 4.480 0.002 0.000 0.262 21 M C 2.444 178.657 176.300 -0.146 0.000 1.065 21 M CA 1.587 56.743 55.300 -0.240 0.000 1.114 21 M CB -0.245 32.049 32.600 -0.510 0.000 1.361 21 M HN 0.073 8.363 8.290 -0.000 0.000 0.408 22 S N 0.043 115.777 115.700 0.056 0.000 2.356 22 S HA -0.200 4.272 4.470 0.002 0.000 0.223 22 S C 1.754 176.386 174.600 0.053 0.000 1.032 22 S CA 1.453 59.746 58.200 0.154 0.000 1.005 22 S CB -0.177 63.123 63.200 0.166 0.000 0.867 22 S HN 0.498 8.808 8.310 -0.000 0.000 0.449 23 Q N -0.114 119.696 119.800 0.018 0.000 2.181 23 Q HA -0.088 4.253 4.340 0.002 0.000 0.205 23 Q C 1.339 177.335 176.000 -0.006 0.000 0.980 23 Q CA 1.248 57.053 55.803 0.003 0.000 0.862 23 Q CB -0.048 28.685 28.738 -0.008 0.000 0.905 23 Q HN 0.497 8.767 8.270 -0.000 0.000 0.429 24 E N -0.106 120.078 120.200 -0.027 0.000 2.481 24 E HA 0.058 4.410 4.350 0.002 0.000 0.198 24 E C -0.470 176.110 176.600 -0.034 0.000 1.027 24 E CA -0.136 56.244 56.400 -0.032 0.000 0.900 24 E CB 0.194 29.861 29.700 -0.054 0.000 0.993 24 E HN 0.274 8.634 8.360 -0.000 0.000 0.482 25 N N 2.022 120.711 118.700 -0.018 0.000 2.714 25 N HA -0.154 4.587 4.740 0.002 0.000 0.253 25 N C -0.097 175.387 175.510 -0.043 0.000 1.024 25 N CA 0.627 53.681 53.050 0.007 0.000 0.726 25 N CB -0.442 38.056 38.487 0.020 0.000 0.908 25 N HN 0.088 8.468 8.380 -0.000 0.000 0.542 26 D N -0.821 119.480 120.400 -0.165 0.000 2.234 26 D HA -0.011 4.631 4.640 0.002 0.000 0.205 26 D C 1.337 177.485 176.300 -0.255 0.000 0.962 26 D CA 0.790 54.637 54.000 -0.256 0.000 0.855 26 D CB -0.083 40.480 40.800 -0.396 0.000 0.951 26 D HN 0.524 8.894 8.370 -0.000 0.000 0.500 27 F N 1.283 121.218 119.950 -0.025 0.000 2.604 27 F HA 0.013 4.541 4.527 0.001 0.000 0.298 27 F C 2.183 177.977 175.800 -0.009 0.000 1.131 27 F CA 0.503 58.489 58.000 -0.022 0.000 1.457 27 F CB -0.072 38.904 39.000 -0.041 0.000 1.095 27 F HN -0.079 8.221 8.300 -0.000 0.000 0.574 28 E N 0.169 120.442 120.200 0.122 0.000 2.274 28 E HA -0.142 4.210 4.350 0.002 0.000 0.194 28 E C 0.677 177.306 176.600 0.047 0.000 0.996 28 E CA 0.900 57.345 56.400 0.075 0.000 0.840 28 E CB -0.183 29.544 29.700 0.045 0.000 0.772 28 E HN 0.489 8.849 8.360 -0.000 0.000 0.491 29 N N 0.031 118.748 118.700 0.028 0.000 2.238 29 N HA 0.153 4.895 4.740 0.002 0.000 0.222 29 N C -0.871 174.652 175.510 0.021 0.000 1.133 29 N CA -0.011 53.046 53.050 0.013 0.000 0.854 29 N CB 0.541 39.020 38.487 -0.012 0.000 1.041 29 N HN -0.026 8.354 8.380 -0.000 0.000 0.510 30 L N -3.844 117.412 121.223 0.055 0.000 2.600 30 L HA 0.509 4.851 4.340 0.002 0.000 0.257 30 L C -1.020 175.913 176.870 0.105 0.000 1.048 30 L CA -1.098 53.784 54.840 0.070 0.000 0.869 30 L CB 1.433 43.538 42.059 0.076 0.000 1.482 30 L HN -0.113 8.117 8.230 -0.000 0.000 0.408 31 N N 1.582 120.337 118.700 0.093 0.000 2.609 31 N HA 0.446 5.187 4.740 0.002 0.000 0.234 31 N C -2.588 172.984 175.510 0.105 0.000 1.001 31 N CA -1.601 51.501 53.050 0.087 0.000 0.926 31 N CB 1.355 39.879 38.487 0.061 0.000 1.130 31 N HN 0.600 8.980 8.380 -0.000 0.000 0.510 32 P HA 0.142 4.562 4.420 -0.000 0.000 0.286 32 P C -0.891 176.348 177.300 -0.102 0.000 1.269 32 P CA -0.266 62.871 63.100 0.062 0.000 0.787 32 P CB 1.771 33.493 31.700 0.038 0.000 0.920 33 V N 5.077 124.890 119.914 -0.170 0.000 2.487 33 V HA 0.393 4.514 4.120 0.002 0.000 0.298 33 V C -0.236 175.661 176.094 -0.329 0.000 1.028 33 V CA -0.433 61.763 62.300 -0.173 0.000 0.860 33 V CB 1.096 32.880 31.823 -0.065 0.000 0.991 33 V HN 0.342 8.532 8.190 -0.000 0.000 0.427 34 F N 4.396 124.217 119.950 -0.216 0.000 2.436 34 F HA 0.740 5.268 4.527 0.001 0.000 0.340 34 F C -0.134 175.565 175.800 -0.169 0.000 1.113 34 F CA -0.549 57.334 58.000 -0.194 0.000 1.022 34 F CB 1.223 39.864 39.000 -0.600 0.000 1.128 34 F HN 0.280 8.580 8.300 -0.000 0.000 0.466 35 F N 0.239 120.398 119.950 0.349 0.000 2.572 35 F HA 0.765 5.294 4.527 0.003 0.000 0.342 35 F C 0.394 176.387 175.800 0.322 0.000 1.064 35 F CA -0.840 57.310 58.000 0.250 0.000 1.008 35 F CB 1.975 41.027 39.000 0.086 0.000 1.303 35 F HN 0.353 8.653 8.300 -0.000 0.000 0.492 36 T N -1.729 113.009 114.554 0.307 0.000 2.840 36 T HA 0.341 4.692 4.350 0.002 0.000 0.317 36 T C 0.185 174.895 174.700 0.017 0.000 1.401 36 T CA -0.033 62.138 62.100 0.119 0.000 1.028 36 T CB 1.241 70.180 68.868 0.119 0.000 1.317 36 T HN 0.771 9.011 8.240 -0.000 0.000 0.495 37 T N -0.448 114.084 114.554 -0.037 0.000 3.060 37 T HA 0.304 4.656 4.350 0.002 0.000 0.249 37 T C 1.105 175.892 174.700 0.145 0.000 1.079 37 T CA 0.263 62.386 62.100 0.038 0.000 1.013 37 T CB 0.087 68.996 68.868 0.067 0.000 0.975 37 T HN 0.480 8.720 8.240 -0.000 0.000 0.518 38 S N 0.763 116.509 115.700 0.077 0.000 2.600 38 S HA 0.216 4.688 4.470 0.002 0.000 0.265 38 S C 0.449 175.104 174.600 0.093 0.000 1.325 38 S CA -0.454 57.789 58.200 0.072 0.000 1.002 38 S CB 0.796 64.014 63.200 0.030 0.000 0.921 38 S HN 0.513 8.823 8.310 -0.000 0.000 0.554 39 Q N 1.134 120.979 119.800 0.076 0.000 2.155 39 Q HA 0.356 4.698 4.340 0.002 0.000 0.273 39 Q C 0.103 176.132 176.000 0.048 0.000 0.857 39 Q CA -0.499 55.346 55.803 0.071 0.000 1.116 39 Q CB 0.919 29.699 28.738 0.070 0.000 1.209 39 Q HN 0.734 9.004 8.270 -0.000 0.000 0.460 55 K N -0.163 120.104 120.400 -0.221 0.000 2.273 55 K HA 0.722 5.044 4.320 0.002 0.000 0.240 55 K C 0.080 176.701 176.600 0.035 0.000 1.056 55 K CA -0.265 55.917 56.287 -0.174 0.000 0.910 55 K CB 0.484 32.735 32.500 -0.414 0.000 1.196 55 K HN 0.715 8.965 8.250 -0.000 0.000 0.509 56 S N -0.222 115.598 115.700 0.201 0.000 2.442 56 S HA 0.436 4.907 4.470 0.002 0.000 0.297 56 S C 0.632 175.484 174.600 0.421 0.000 1.131 56 S CA -0.526 57.839 58.200 0.275 0.000 1.092 56 S CB 0.920 64.270 63.200 0.250 0.000 0.998 56 S HN 0.547 8.857 8.310 -0.000 0.000 0.478 57 A N 4.338 127.283 122.820 0.209 0.000 2.225 57 A HA 0.122 4.444 4.320 0.002 0.000 0.215 57 A C 0.786 178.328 177.584 -0.070 0.000 1.164 57 A CA 1.024 53.051 52.037 -0.017 0.000 0.710 57 A CB -0.567 18.238 19.000 -0.325 0.000 0.780 57 A HN 0.812 8.962 8.150 -0.000 0.000 0.473 58 F N -0.644 119.462 119.950 0.260 0.000 2.695 58 F HA 0.191 4.720 4.527 0.003 0.000 0.303 58 F C 0.669 176.532 175.800 0.105 0.000 1.091 58 F CA -1.034 57.064 58.000 0.162 0.000 1.300 58 F CB 0.333 39.415 39.000 0.138 0.000 1.071 58 F HN 0.100 8.400 8.300 -0.000 0.000 0.578 59 D N 2.043 122.608 120.400 0.274 0.000 2.508 59 D HA 0.050 4.691 4.640 0.002 0.000 0.224 59 D C 1.665 178.041 176.300 0.126 0.000 1.171 59 D CA 0.194 54.313 54.000 0.200 0.000 1.006 59 D CB 0.253 41.186 40.800 0.221 0.000 1.073 59 D HN 0.012 8.382 8.370 -0.000 0.000 0.513 60 I N 2.062 122.677 120.570 0.075 0.000 2.300 60 I HA -0.258 3.914 4.170 0.002 0.000 0.252 60 I C 2.014 178.126 176.117 -0.008 0.000 1.119 60 I CA 1.136 62.435 61.300 -0.002 0.000 1.384 60 I CB -0.493 37.499 38.000 -0.014 0.000 1.062 60 I HN 0.404 8.614 8.210 -0.000 0.000 0.426 61 E N 0.484 120.708 120.200 0.040 0.000 2.107 61 E HA -0.157 4.195 4.350 0.002 0.000 0.191 61 E C 2.054 178.698 176.600 0.074 0.000 0.982 61 E CA 0.651 57.081 56.400 0.049 0.000 0.809 61 E CB -0.121 29.613 29.700 0.057 0.000 0.756 61 E HN 0.478 8.838 8.360 -0.000 0.000 0.459 62 E N 0.687 120.958 120.200 0.118 0.000 2.110 62 E HA -0.095 4.257 4.350 0.002 0.000 0.193 62 E C 2.336 179.057 176.600 0.203 0.000 0.988 62 E CA 0.460 56.972 56.400 0.188 0.000 0.804 62 E CB -0.127 29.746 29.700 0.289 0.000 0.745 62 E HN 0.293 8.653 8.360 -0.000 0.000 0.458 63 L N 0.635 121.898 121.223 0.067 0.000 2.156 63 L HA -0.098 4.243 4.340 0.002 0.000 0.208 63 L C 2.626 179.359 176.870 -0.227 0.000 1.095 63 L CA 0.907 55.652 54.840 -0.159 0.000 0.770 63 L CB -0.347 41.502 42.059 -0.349 0.000 0.914 63 L HN 0.040 8.270 8.230 -0.000 0.000 0.439 64 K N 0.909 121.222 120.400 -0.145 0.000 2.209 64 K HA -0.196 4.125 4.320 0.002 0.000 0.204 64 K C 1.951 178.694 176.600 0.239 0.000 1.048 64 K CA 1.326 57.605 56.287 -0.013 0.000 0.940 64 K CB 0.105 32.648 32.500 0.071 0.000 0.729 64 K HN 0.214 8.464 8.250 -0.000 0.000 0.451 65 K N 0.321 120.825 120.400 0.173 0.000 2.365 65 K HA 0.038 4.360 4.320 0.002 0.000 0.199 65 K C 0.325 177.065 176.600 0.234 0.000 1.045 65 K CA 0.190 56.591 56.287 0.191 0.000 0.962 65 K CB 0.027 32.611 32.500 0.139 0.000 0.759 65 K HN 0.138 8.388 8.250 -0.000 0.000 0.469 66 L N 1.313 122.702 121.223 0.277 0.000 2.417 66 L HA 0.004 4.346 4.340 0.002 0.000 0.268 66 L C 1.011 178.141 176.870 0.434 0.000 1.158 66 L CA -0.274 54.742 54.840 0.293 0.000 0.819 66 L CB 0.626 42.816 42.059 0.218 0.000 1.112 66 L HN 0.054 8.284 8.230 -0.000 0.000 0.458 67 D N 1.923 122.488 120.400 0.275 0.000 2.213 67 D HA 0.200 4.841 4.640 0.002 0.000 0.205 67 D C 0.346 176.820 176.300 0.290 0.000 0.961 67 D CA 1.292 55.425 54.000 0.221 0.000 0.853 67 D CB 0.711 41.588 40.800 0.128 0.000 0.967 67 D HN 0.295 8.665 8.370 -0.000 0.000 0.496 68 I N 0.651 121.384 120.570 0.272 0.000 2.722 68 I HA 0.330 4.501 4.170 0.002 0.000 0.295 68 I C -0.861 175.310 176.117 0.090 0.000 1.161 68 I CA -0.685 60.759 61.300 0.239 0.000 1.032 68 I CB 3.102 41.125 38.000 0.039 0.000 1.244 68 I HN -0.328 7.882 8.210 -0.000 0.000 0.421 69 I N 5.312 125.920 120.570 0.063 0.000 2.465 69 I HA 0.489 4.661 4.170 0.002 0.000 0.291 69 I C -0.966 174.875 176.117 -0.459 0.000 1.014 69 I CA -0.954 60.172 61.300 -0.291 0.000 1.093 69 I CB 2.351 40.098 38.000 -0.422 0.000 1.267 69 I HN 0.137 8.347 8.210 -0.000 0.000 0.431 70 V N 4.502 124.072 119.914 -0.573 0.000 2.376 70 V HA 0.406 4.528 4.120 0.002 0.000 0.287 70 V C -0.228 175.652 176.094 -0.357 0.000 1.015 70 V CA -0.484 61.539 62.300 -0.462 0.000 0.834 70 V CB 1.710 33.253 31.823 -0.466 0.000 1.001 70 V HN 0.797 8.987 8.190 -0.000 0.000 0.428 71 T N 1.734 116.076 114.554 -0.354 0.000 2.823 71 T HA 0.395 4.746 4.350 0.002 0.000 0.279 71 T C 0.145 174.803 174.700 -0.069 0.000 0.998 71 T CA -0.473 61.497 62.100 -0.217 0.000 0.994 71 T CB 1.552 70.311 68.868 -0.181 0.000 0.960 71 T HN 0.614 8.854 8.240 -0.000 0.000 0.448 72 C N 1.859 121.141 119.300 -0.029 0.000 3.365 72 C HA 0.246 4.708 4.460 0.002 0.000 0.266 72 C C 2.100 177.080 174.990 -0.016 0.000 1.631 72 C CA -0.361 58.663 59.018 0.010 0.000 1.789 72 C CB -0.582 27.187 27.740 0.048 0.000 3.088 72 C HN 1.026 9.256 8.230 -0.000 0.000 0.547 73 Q N 1.893 121.652 119.800 -0.068 0.000 2.079 73 Q HA 0.304 4.646 4.340 0.002 0.000 0.200 73 Q C 0.966 176.976 176.000 0.017 0.000 0.974 73 Q CA 1.970 57.706 55.803 -0.111 0.000 0.840 73 Q CB 0.019 28.523 28.738 -0.390 0.000 0.898 73 Q HN 0.668 8.938 8.270 -0.000 0.000 0.430 74 G N -3.245 105.616 108.800 0.101 0.000 2.335 74 G HA2 0.182 4.143 3.960 0.002 0.000 0.592 74 G HA3 0.182 4.143 3.960 0.002 0.000 0.592 74 G C 0.433 175.447 174.900 0.190 0.000 1.442 74 G CA -0.256 44.921 45.100 0.128 0.000 0.976 74 G HN 0.310 8.600 8.290 -0.000 0.000 0.652 75 G N -0.110 108.776 108.800 0.144 0.000 2.505 75 G HA2 -0.197 3.764 3.960 0.002 0.000 0.220 75 G HA3 -0.197 3.764 3.960 0.002 0.000 0.220 75 G C 1.262 176.247 174.900 0.141 0.000 1.145 75 G CA 2.201 47.381 45.100 0.134 0.000 0.761 75 G HN 0.741 9.031 8.290 -0.000 0.000 0.571 76 D N -0.505 119.983 120.400 0.146 0.000 2.092 76 D HA -0.158 4.483 4.640 0.002 0.000 0.193 76 D C 1.970 178.384 176.300 0.191 0.000 0.994 76 D CA 1.185 55.270 54.000 0.142 0.000 0.828 76 D CB -0.638 40.245 40.800 0.138 0.000 0.963 76 D HN 0.397 8.767 8.370 -0.000 0.000 0.450 77 Y N 1.697 122.086 120.300 0.148 0.000 2.114 77 Y HA -0.292 4.259 4.550 0.002 0.000 0.282 77 Y C 2.377 178.407 175.900 0.217 0.000 1.165 77 Y CA 2.210 60.429 58.100 0.199 0.000 1.148 77 Y CB -0.662 37.887 38.460 0.149 0.000 0.972 77 Y HN -0.086 8.194 8.280 -0.000 0.000 0.504 78 T N 1.045 115.749 114.554 0.250 0.000 2.684 78 T HA -0.205 4.147 4.350 0.002 0.000 0.267 78 T C 1.572 176.261 174.700 -0.019 0.000 1.036 78 T CA 1.669 63.880 62.100 0.184 0.000 1.148 78 T CB -0.376 68.641 68.868 0.249 0.000 0.863 78 T HN 0.450 8.690 8.240 -0.000 0.000 0.436 79 N N 0.799 119.503 118.700 0.007 0.000 2.453 79 N HA -0.073 4.669 4.740 0.002 0.000 0.183 79 N C 1.804 177.294 175.510 -0.033 0.000 1.041 79 N CA 0.709 53.749 53.050 -0.016 0.000 0.900 79 N CB -0.074 38.417 38.487 0.008 0.000 0.961 79 N HN 0.625 9.005 8.380 -0.000 0.000 0.443 80 E N 0.265 120.437 120.200 -0.047 0.000 2.166 80 E HA 0.013 4.365 4.350 0.002 0.000 0.192 80 E C 1.560 178.096 176.600 -0.106 0.000 0.967 80 E CA 0.252 56.618 56.400 -0.057 0.000 0.840 80 E CB 0.425 30.116 29.700 -0.014 0.000 0.795 80 E HN -0.046 8.314 8.360 -0.000 0.000 0.470 81 V N 0.456 120.245 119.914 -0.207 0.000 2.374 81 V HA -0.150 3.971 4.120 0.002 0.000 0.241 81 V C 2.018 177.966 176.094 -0.244 0.000 1.034 81 V CA 1.466 63.625 62.300 -0.234 0.000 1.037 81 V CB -0.714 30.834 31.823 -0.458 0.000 0.682 81 V HN 0.357 8.547 8.190 -0.000 0.000 0.463 82 Y N 2.944 122.910 120.300 -0.557 0.000 2.062 82 Y HA -0.234 4.317 4.550 0.002 0.000 0.276 82 Y C 0.151 175.775 175.900 -0.459 0.000 1.189 82 Y CA 2.880 60.462 58.100 -0.864 0.000 1.130 82 Y CB -1.569 36.200 38.460 -1.151 0.000 0.959 82 Y HN 0.288 8.568 8.280 -0.000 0.000 0.499 83 P HA -0.196 4.224 4.420 -0.000 0.000 0.215 83 P C 0.964 178.129 177.300 -0.226 0.000 1.157 83 P CA 2.212 65.174 63.100 -0.230 0.000 0.863 83 P CB -0.105 31.539 31.700 -0.093 0.000 0.787 84 K N -0.770 119.526 120.400 -0.173 0.000 2.063 84 K HA -0.144 4.177 4.320 0.002 0.000 0.208 84 K C 2.284 178.795 176.600 -0.147 0.000 1.048 84 K CA 1.046 57.255 56.287 -0.130 0.000 0.928 84 K CB -0.774 31.669 32.500 -0.094 0.000 0.713 84 K HN 0.060 8.310 8.250 -0.000 0.000 0.442 85 L N 1.763 122.859 121.223 -0.211 0.000 2.005 85 L HA -0.132 4.210 4.340 0.002 0.000 0.207 85 L C 1.851 178.642 176.870 -0.131 0.000 1.072 85 L CA 1.864 56.578 54.840 -0.210 0.000 0.744 85 L CB -0.293 41.571 42.059 -0.326 0.000 0.895 85 L HN -0.068 8.162 8.230 -0.000 0.000 0.433 86 K N -0.023 120.216 120.400 -0.267 0.000 2.360 86 K HA -0.004 4.317 4.320 0.002 0.000 0.201 86 K C 1.985 178.513 176.600 -0.120 0.000 1.046 86 K CA 1.032 57.201 56.287 -0.197 0.000 0.945 86 K CB -0.478 31.715 32.500 -0.512 0.000 0.750 86 K HN 0.511 8.761 8.250 -0.000 0.000 0.464 87 A N 0.956 123.699 122.820 -0.129 0.000 1.898 87 A HA -0.125 4.196 4.320 0.002 0.000 0.216 87 A C 2.159 179.721 177.584 -0.036 0.000 1.181 87 A CA 2.154 54.142 52.037 -0.081 0.000 0.620 87 A CB -0.918 18.032 19.000 -0.083 0.000 0.819 87 A HN 0.448 8.598 8.150 -0.000 0.000 0.442 88 T N -3.725 110.820 114.554 -0.015 0.000 3.077 88 T HA 0.286 4.638 4.350 0.002 0.000 0.269 88 T C 1.452 176.179 174.700 0.045 0.000 1.146 88 T CA 1.358 63.469 62.100 0.018 0.000 1.091 88 T CB -0.332 68.555 68.868 0.032 0.000 0.892 88 T HN 1.759 9.999 8.240 -0.000 0.000 0.533 89 G N 0.010 108.836 108.800 0.044 0.000 2.194 89 G HA2 -0.245 3.716 3.960 0.002 0.000 0.236 89 G HA3 -0.245 3.716 3.960 0.002 0.000 0.236 89 G C -0.087 174.858 174.900 0.075 0.000 0.987 89 G CA -0.229 44.892 45.100 0.035 0.000 0.635 89 G HN 0.688 8.978 8.290 -0.000 0.000 0.520 90 W N 2.586 123.848 121.300 -0.063 0.000 2.550 90 W HA 0.340 5.000 4.660 0.001 0.000 0.339 90 W C 0.620 177.104 176.519 -0.058 0.000 1.174 90 W CA 0.834 58.152 57.345 -0.044 0.000 1.243 90 W CB 0.499 29.938 29.460 -0.035 0.000 1.172 90 W HN 0.113 8.293 8.180 -0.000 0.000 0.566 91 D N 4.004 124.080 120.400 -0.539 0.000 2.340 91 D HA 0.103 4.745 4.640 0.002 0.000 0.217 91 D C 1.113 176.841 176.300 -0.954 0.000 1.081 91 D CA 0.312 53.964 54.000 -0.581 0.000 0.842 91 D CB -0.087 40.513 40.800 -0.334 0.000 0.934 91 D HN 0.450 8.820 8.370 -0.000 0.000 0.511 92 G N -0.423 107.232 108.800 -1.908 0.000 2.611 92 G HA2 0.146 4.107 3.960 0.002 0.000 0.273 92 G HA3 0.146 4.107 3.960 0.002 0.000 0.273 92 G C -0.699 173.512 174.900 -1.149 0.000 1.305 92 G CA -0.327 43.796 45.100 -1.628 0.000 1.010 92 G HN 0.085 8.375 8.290 -0.000 0.000 0.509 93 Y N -0.801 119.320 120.300 -0.299 0.000 2.326 93 Y HA 0.316 4.867 4.550 0.002 0.000 0.337 93 Y C -0.087 176.103 175.900 0.483 0.000 1.023 93 Y CA -0.633 57.540 58.100 0.123 0.000 1.143 93 Y CB 1.438 39.969 38.460 0.118 0.000 1.183 93 Y HN 0.488 8.768 8.280 -0.000 0.000 0.485 94 W N 6.073 127.686 121.300 0.522 0.000 2.329 94 W HA 0.598 5.260 4.660 0.003 0.000 0.312 94 W C -1.854 174.860 176.519 0.326 0.000 1.054 94 W CA -0.873 56.764 57.345 0.485 0.000 1.245 94 W CB 1.260 31.074 29.460 0.589 0.000 1.255 94 W HN 0.211 8.391 8.180 -0.000 0.000 0.436 95 V N 7.074 126.974 119.914 -0.024 0.000 2.370 95 V HA 0.210 4.332 4.120 0.002 0.000 0.283 95 V C -0.254 175.733 176.094 -0.179 0.000 1.023 95 V CA -0.197 62.104 62.300 0.002 0.000 0.857 95 V CB 1.413 33.214 31.823 -0.037 0.000 0.985 95 V HN 0.414 8.604 8.190 -0.000 0.000 0.443 96 D N 3.054 123.470 120.400 0.026 0.000 2.575 96 D HA 0.684 5.325 4.640 0.002 0.000 0.236 96 D C 0.347 176.691 176.300 0.073 0.000 1.075 96 D CA -0.233 53.798 54.000 0.052 0.000 0.860 96 D CB 2.753 43.712 40.800 0.264 0.000 1.475 96 D HN 0.472 8.842 8.370 -0.000 0.000 0.474 97 A N 1.704 124.559 122.820 0.059 0.000 2.197 97 A HA 0.518 4.840 4.320 0.002 0.000 0.210 97 A C 0.945 178.571 177.584 0.070 0.000 1.180 97 A CA 0.532 52.604 52.037 0.057 0.000 0.846 97 A CB 0.054 19.079 19.000 0.041 0.000 0.884 97 A HN 0.541 8.691 8.150 -0.000 0.000 0.487 98 A N 0.316 123.190 122.820 0.090 0.000 2.366 98 A HA 0.451 4.772 4.320 0.002 0.000 0.249 98 A C 1.550 179.182 177.584 0.081 0.000 1.084 98 A CA 0.407 52.499 52.037 0.093 0.000 0.794 98 A CB 0.185 19.258 19.000 0.121 0.000 1.034 98 A HN 0.910 9.060 8.150 -0.000 0.000 0.491 99 S N 0.900 116.643 115.700 0.071 0.000 2.461 99 S HA 0.077 4.548 4.470 0.002 0.000 0.228 99 S C 1.921 176.549 174.600 0.047 0.000 1.005 99 S CA 1.029 59.263 58.200 0.056 0.000 0.942 99 S CB -0.740 62.498 63.200 0.063 0.000 0.776 99 S HN 1.561 9.871 8.310 -0.000 0.000 0.514 100 A N 2.506 125.357 122.820 0.052 0.000 1.957 100 A HA -0.175 4.147 4.320 0.002 0.000 0.224 100 A C 2.066 179.638 177.584 -0.019 0.000 1.287 100 A CA 2.233 54.285 52.037 0.026 0.000 0.682 100 A CB -1.010 18.006 19.000 0.027 0.000 0.833 100 A HN 0.652 8.802 8.150 -0.000 0.000 0.482 101 L N -2.404 118.791 121.223 -0.047 0.000 2.693 101 L HA 0.159 4.501 4.340 0.002 0.000 0.235 101 L C 2.162 178.999 176.870 -0.056 0.000 1.127 101 L CA -0.123 54.658 54.840 -0.098 0.000 0.914 101 L CB -0.136 41.779 42.059 -0.241 0.000 1.193 101 L HN 0.293 8.523 8.230 -0.000 0.000 0.502 102 R N 0.427 120.912 120.500 -0.024 0.000 2.119 102 R HA -0.180 4.162 4.340 0.002 0.000 0.246 102 R C 1.831 178.103 176.300 -0.047 0.000 1.146 102 R CA 1.488 57.570 56.100 -0.030 0.000 0.962 102 R CB -0.205 30.078 30.300 -0.029 0.000 0.863 102 R HN 0.283 8.553 8.270 -0.000 0.000 0.442 103 M N 0.627 120.207 119.600 -0.033 0.000 2.514 103 M HA 0.066 4.547 4.480 0.002 0.000 0.258 103 M C 0.276 176.559 176.300 -0.027 0.000 1.119 103 M CA 0.467 55.747 55.300 -0.032 0.000 1.111 103 M CB -0.298 32.306 32.600 0.007 0.000 1.390 103 M HN -0.190 8.100 8.290 -0.000 0.000 0.475 104 K N 2.107 122.490 120.400 -0.029 0.000 2.580 104 K HA -0.114 4.207 4.320 0.002 0.000 0.278 104 K C 0.721 177.300 176.600 -0.036 0.000 0.960 104 K CA 0.343 56.613 56.287 -0.028 0.000 0.988 104 K CB 0.212 32.689 32.500 -0.038 0.000 0.887 104 K HN 0.147 8.397 8.250 -0.000 0.000 0.509 105 D N 1.307 121.691 120.400 -0.027 0.000 2.144 105 D HA -0.153 4.489 4.640 0.002 0.000 0.200 105 D C 0.845 177.119 176.300 -0.044 0.000 0.978 105 D CA 1.448 55.429 54.000 -0.032 0.000 0.833 105 D CB -0.046 40.741 40.800 -0.022 0.000 0.961 105 D HN 0.610 8.980 8.370 -0.000 0.000 0.470 106 D N -0.324 120.051 120.400 -0.041 0.000 2.325 106 D HA 0.264 4.905 4.640 0.002 0.000 0.225 106 D C -0.041 176.202 176.300 -0.094 0.000 1.096 106 D CA -0.299 53.668 54.000 -0.055 0.000 0.844 106 D CB 0.019 40.803 40.800 -0.027 0.000 0.925 106 D HN 0.053 8.423 8.370 -0.000 0.000 0.513 107 A N 0.130 122.887 122.820 -0.106 0.000 2.374 107 A HA 0.724 5.046 4.320 0.002 0.000 0.317 107 A C -0.741 176.737 177.584 -0.177 0.000 1.094 107 A CA -0.818 51.126 52.037 -0.154 0.000 0.765 107 A CB 1.224 20.165 19.000 -0.099 0.000 1.268 107 A HN 0.222 8.372 8.150 -0.000 0.000 0.438 108 I N 1.528 121.939 120.570 -0.265 0.000 2.569 108 I HA 0.363 4.534 4.170 0.002 0.000 0.296 108 I C -0.761 175.326 176.117 -0.049 0.000 1.028 108 I CA -0.560 60.635 61.300 -0.174 0.000 1.082 108 I CB 2.070 39.923 38.000 -0.244 0.000 1.264 108 I HN 0.507 8.717 8.210 -0.000 0.000 0.429 109 I N 6.281 126.850 120.570 -0.002 0.000 2.297 109 I HA 0.185 4.356 4.170 0.002 0.000 0.291 109 I C 0.126 176.293 176.117 0.084 0.000 1.033 109 I CA -0.779 60.541 61.300 0.033 0.000 1.253 109 I CB 0.913 38.905 38.000 -0.013 0.000 1.396 109 I HN 0.257 8.467 8.210 -0.000 0.000 0.476 110 V N 5.492 125.494 119.914 0.146 0.000 2.649 110 V HA 0.461 4.583 4.120 0.002 0.000 0.292 110 V C -0.145 176.009 176.094 0.099 0.000 1.055 110 V CA -0.406 61.989 62.300 0.159 0.000 1.023 110 V CB 1.590 33.532 31.823 0.198 0.000 0.992 110 V HN 0.690 8.880 8.190 -0.000 0.000 0.480 111 L N 3.335 124.610 121.223 0.086 0.000 2.462 111 L HA 0.277 4.619 4.340 0.002 0.000 0.289 111 L C 0.889 177.793 176.870 0.057 0.000 1.351 111 L CA 0.792 55.669 54.840 0.062 0.000 0.643 111 L CB 0.001 42.064 42.059 0.007 0.000 0.950 111 L HN 0.963 9.193 8.230 -0.000 0.000 0.516 112 D N -0.635 119.815 120.400 0.083 0.000 2.286 112 D HA -0.258 4.384 4.640 0.002 0.000 0.195 112 D C -1.141 175.216 176.300 0.095 0.000 1.012 112 D CA 1.963 56.014 54.000 0.085 0.000 0.901 112 D CB -0.649 40.197 40.800 0.078 0.000 0.903 112 D HN 0.416 8.786 8.370 -0.000 0.000 0.451 113 P HA -0.005 4.415 4.420 -0.000 0.000 0.229 113 P C 1.149 178.551 177.300 0.170 0.000 1.160 113 P CA 0.638 63.822 63.100 0.141 0.000 0.777 113 P CB 0.306 32.053 31.700 0.079 0.000 0.814 114 V N -0.250 119.737 119.914 0.121 0.000 2.806 114 V HA 0.069 4.191 4.120 0.002 0.000 0.239 114 V C 1.160 177.320 176.094 0.110 0.000 1.113 114 V CA 1.256 63.649 62.300 0.156 0.000 1.137 114 V CB -0.499 31.335 31.823 0.019 0.000 0.865 114 V HN 0.213 8.403 8.190 -0.000 0.000 0.482 115 N N 0.264 119.010 118.700 0.077 0.000 2.541 115 N HA 0.081 4.822 4.740 0.002 0.000 0.297 115 N C 0.994 176.570 175.510 0.110 0.000 1.503 115 N CA -0.185 52.916 53.050 0.085 0.000 0.919 115 N CB 0.829 39.350 38.487 0.056 0.000 1.305 115 N HN 0.267 8.647 8.380 -0.000 0.000 0.501 116 Q N 0.567 120.430 119.800 0.105 0.000 2.096 116 Q HA -0.210 4.132 4.340 0.002 0.000 0.204 116 Q C 1.693 177.756 176.000 0.104 0.000 0.982 116 Q CA 1.705 57.560 55.803 0.088 0.000 0.850 116 Q CB -0.572 28.203 28.738 0.061 0.000 0.901 116 Q HN 0.578 8.848 8.270 -0.000 0.000 0.422 117 H N -0.614 118.481 119.070 0.042 0.000 2.319 117 H HA -0.098 4.459 4.556 0.003 0.000 0.297 117 H C 1.853 177.211 175.328 0.051 0.000 1.097 117 H CA 1.973 58.044 56.048 0.039 0.000 1.285 117 H CB -0.143 29.638 29.762 0.031 0.000 1.368 117 H HN 0.214 8.494 8.280 -0.000 0.000 0.495 118 V N 1.200 121.275 119.914 0.268 0.000 2.407 118 V HA -0.238 3.883 4.120 0.002 0.000 0.248 118 V C 2.885 179.086 176.094 0.179 0.000 1.055 118 V CA 1.698 64.115 62.300 0.194 0.000 1.049 118 V CB -0.487 31.404 31.823 0.113 0.000 0.662 118 V HN 0.337 8.527 8.190 -0.000 0.000 0.455 119 I N -0.283 120.398 120.570 0.184 0.000 2.286 119 I HA -0.173 3.998 4.170 0.002 0.000 0.245 119 I C 2.569 178.802 176.117 0.193 0.000 1.104 119 I CA 1.369 62.821 61.300 0.253 0.000 1.397 119 I CB -0.438 37.680 38.000 0.196 0.000 1.072 119 I HN 0.250 8.460 8.210 -0.000 0.000 0.417 120 S N 0.450 116.201 115.700 0.085 0.000 2.353 120 S HA -0.188 4.284 4.470 0.002 0.000 0.222 120 S C 1.941 176.574 174.600 0.054 0.000 1.035 120 S CA 1.240 59.455 58.200 0.025 0.000 1.025 120 S CB -0.294 62.859 63.200 -0.080 0.000 0.902 120 S HN 0.391 8.701 8.310 -0.000 0.000 0.440 121 E N 0.857 121.093 120.200 0.060 0.000 2.085 121 E HA -0.121 4.230 4.350 0.002 0.000 0.194 121 E C 2.301 178.963 176.600 0.103 0.000 0.994 121 E CA 1.224 57.676 56.400 0.087 0.000 0.801 121 E CB -0.769 29.022 29.700 0.151 0.000 0.743 121 E HN 0.568 8.928 8.360 -0.000 0.000 0.453 122 G N 0.670 109.553 108.800 0.138 0.000 2.422 122 G HA2 -0.183 3.779 3.960 0.002 0.000 0.218 122 G HA3 -0.183 3.779 3.960 0.002 0.000 0.218 122 G C 1.744 176.765 174.900 0.202 0.000 1.140 122 G CA 0.297 45.478 45.100 0.135 0.000 0.775 122 G HN 0.161 8.451 8.290 -0.000 0.000 0.545 123 L N -0.251 121.131 121.223 0.266 0.000 2.072 123 L HA 0.030 4.372 4.340 0.002 0.000 0.205 123 L C 2.833 179.799 176.870 0.160 0.000 1.079 123 L CA 1.037 56.044 54.840 0.278 0.000 0.752 123 L CB -0.214 41.960 42.059 0.193 0.000 0.906 123 L HN 0.145 8.375 8.230 -0.000 0.000 0.436 124 K N -0.184 120.278 120.400 0.103 0.000 2.362 124 K HA -0.155 4.166 4.320 0.002 0.000 0.200 124 K C 1.887 178.519 176.600 0.054 0.000 1.046 124 K CA 0.583 56.908 56.287 0.064 0.000 0.952 124 K CB 0.051 32.576 32.500 0.041 0.000 0.753 124 K HN 0.068 8.318 8.250 -0.000 0.000 0.466 125 K N 0.076 120.512 120.400 0.061 0.000 2.374 125 K HA -0.023 4.298 4.320 0.002 0.000 0.196 125 K C 0.620 177.234 176.600 0.024 0.000 1.023 125 K CA 0.859 57.168 56.287 0.036 0.000 1.103 125 K CB 0.670 33.189 32.500 0.032 0.000 0.848 125 K HN 0.250 8.500 8.250 -0.000 0.000 0.528 126 G N 1.850 110.676 108.800 0.043 0.000 2.141 126 G HA2 -0.157 3.805 3.960 0.002 0.000 0.231 126 G HA3 -0.157 3.805 3.960 0.002 0.000 0.231 126 G C 0.048 174.939 174.900 -0.016 0.000 0.984 126 G CA -0.107 44.998 45.100 0.009 0.000 0.660 126 G HN 0.195 8.485 8.290 -0.000 0.000 0.525 127 I N 0.469 121.052 120.570 0.022 0.000 2.618 127 I HA 0.192 4.363 4.170 0.002 0.000 0.284 127 I C 0.995 177.118 176.117 0.010 0.000 1.146 127 I CA 0.479 61.746 61.300 -0.054 0.000 1.425 127 I CB 1.123 39.013 38.000 -0.184 0.000 1.383 127 I HN -0.037 8.173 8.210 -0.000 0.000 0.562 128 K N 3.660 124.017 120.400 -0.070 0.000 2.413 128 K HA 0.206 4.527 4.320 0.002 0.000 0.204 128 K C -0.195 176.536 176.600 0.217 0.000 1.041 128 K CA 0.133 56.372 56.287 -0.079 0.000 1.082 128 K CB 0.685 32.981 32.500 -0.340 0.000 0.871 128 K HN 0.510 8.760 8.250 -0.000 0.000 0.535 129 T N 1.267 115.882 114.554 0.102 0.000 2.864 129 T HA 0.507 4.859 4.350 0.002 0.000 0.299 129 T C -0.974 173.694 174.700 -0.053 0.000 1.011 129 T CA -0.399 61.828 62.100 0.211 0.000 0.975 129 T CB 0.473 69.436 68.868 0.158 0.000 0.962 129 T HN -0.153 8.087 8.240 -0.000 0.000 0.448 130 F N 2.304 122.389 119.950 0.224 0.000 2.449 130 F HA 0.601 5.130 4.527 0.003 0.000 0.342 130 F C -0.086 175.785 175.800 0.118 0.000 1.127 130 F CA -1.007 57.078 58.000 0.141 0.000 0.975 130 F CB 1.609 40.679 39.000 0.115 0.000 1.146 130 F HN 0.193 8.493 8.300 -0.000 0.000 0.444 131 V N 2.666 122.701 119.914 0.202 0.000 2.495 131 V HA 0.651 4.772 4.120 0.002 0.000 0.298 131 V C 0.513 176.675 176.094 0.114 0.000 1.031 131 V CA -1.070 61.314 62.300 0.140 0.000 0.871 131 V CB 1.437 33.309 31.823 0.080 0.000 0.988 131 V HN 0.889 9.079 8.190 -0.000 0.000 0.432 132 G N 2.704 111.562 108.800 0.097 0.000 2.544 132 G HA2 0.487 4.449 3.960 0.002 0.000 0.242 132 G HA3 0.487 4.449 3.960 0.002 0.000 0.242 132 G C 0.382 175.317 174.900 0.058 0.000 1.247 132 G CA 0.327 45.473 45.100 0.077 0.000 0.840 132 G HN 1.057 9.347 8.290 -0.000 0.000 0.578 133 G N -0.349 108.481 108.800 0.049 0.000 2.511 133 G HA2 0.380 4.341 3.960 0.002 0.000 0.316 133 G HA3 0.380 4.341 3.960 0.002 0.000 0.316 133 G C 0.134 175.054 174.900 0.033 0.000 1.210 133 G CA -0.770 44.345 45.100 0.025 0.000 0.969 133 G HN 0.831 9.121 8.290 -0.000 0.000 0.492 134 N N -0.947 117.763 118.700 0.017 0.000 2.359 134 N HA -0.050 4.691 4.740 0.002 0.000 0.261 134 N C 1.759 177.308 175.510 0.066 0.000 1.267 134 N CA 0.393 53.465 53.050 0.036 0.000 0.864 134 N CB 0.408 38.900 38.487 0.008 0.000 1.063 134 N HN 0.548 8.928 8.380 -0.000 0.000 0.474 135 C N 1.274 120.637 119.300 0.106 0.000 2.385 135 C HA -0.180 4.282 4.460 0.002 0.000 0.275 135 C C 2.305 177.404 174.990 0.182 0.000 1.207 135 C CA 1.268 60.375 59.018 0.148 0.000 1.760 135 C CB -1.707 26.146 27.740 0.189 0.000 2.051 135 C HN 0.801 9.031 8.230 -0.000 0.000 0.467 136 T N 1.601 116.266 114.554 0.184 0.000 2.684 136 T HA -0.138 4.213 4.350 0.002 0.000 0.267 136 T C 1.904 176.668 174.700 0.108 0.000 1.036 136 T CA 1.945 64.134 62.100 0.148 0.000 1.148 136 T CB -0.538 68.371 68.868 0.068 0.000 0.863 136 T HN 0.476 8.716 8.240 -0.000 0.000 0.436 137 V N 1.662 121.609 119.914 0.054 0.000 2.358 137 V HA -0.157 3.964 4.120 0.002 0.000 0.246 137 V C 2.752 178.834 176.094 -0.020 0.000 1.047 137 V CA 1.865 64.165 62.300 -0.000 0.000 1.035 137 V CB -0.827 30.968 31.823 -0.048 0.000 0.658 137 V HN 0.465 8.655 8.190 -0.000 0.000 0.452 138 S N 0.337 116.040 115.700 0.005 0.000 2.368 138 S HA -0.111 4.360 4.470 0.002 0.000 0.225 138 S C 1.927 176.519 174.600 -0.013 0.000 1.030 138 S CA 1.416 59.611 58.200 -0.008 0.000 0.999 138 S CB -0.401 62.828 63.200 0.049 0.000 0.844 138 S HN 0.464 8.774 8.310 -0.000 0.000 0.459 139 L N 0.890 122.144 121.223 0.052 0.000 2.131 139 L HA -0.074 4.268 4.340 0.002 0.000 0.210 139 L C 2.574 179.479 176.870 0.059 0.000 1.092 139 L CA 1.108 55.986 54.840 0.062 0.000 0.759 139 L CB -0.466 41.664 42.059 0.119 0.000 0.903 139 L HN 0.401 8.631 8.230 -0.000 0.000 0.435 140 M N -0.088 119.563 119.600 0.085 0.000 2.123 140 M HA -0.175 4.307 4.480 0.002 0.000 0.263 140 M C 2.237 178.518 176.300 -0.031 0.000 1.069 140 M CA 1.737 57.104 55.300 0.112 0.000 1.133 140 M CB 0.044 32.698 32.600 0.089 0.000 1.356 140 M HN 0.156 8.446 8.290 -0.000 0.000 0.415 141 L N 0.043 121.196 121.223 -0.116 0.000 2.083 141 L HA -0.213 4.129 4.340 0.002 0.000 0.209 141 L C 2.594 179.335 176.870 -0.216 0.000 1.083 141 L CA 0.815 55.536 54.840 -0.197 0.000 0.752 141 L CB -0.683 41.229 42.059 -0.245 0.000 0.899 141 L HN 0.386 8.616 8.230 -0.000 0.000 0.433 142 M N -0.540 118.933 119.600 -0.212 0.000 2.279 142 M HA -0.132 4.349 4.480 0.002 0.000 0.264 142 M C 2.367 178.564 176.300 -0.171 0.000 1.062 142 M CA 1.659 56.790 55.300 -0.280 0.000 1.099 142 M CB -1.142 31.187 32.600 -0.453 0.000 1.394 142 M HN 0.323 8.613 8.290 -0.000 0.000 0.426 143 A N 0.584 123.351 122.820 -0.087 0.000 1.861 143 A HA 0.038 4.359 4.320 0.002 0.000 0.212 143 A C 1.617 179.184 177.584 -0.028 0.000 1.199 143 A CA 0.780 52.810 52.037 -0.011 0.000 0.613 143 A CB -0.320 18.731 19.000 0.085 0.000 0.846 143 A HN 0.558 8.708 8.150 -0.000 0.000 0.446 144 I N -3.157 117.391 120.570 -0.036 0.000 3.517 144 I HA 0.455 4.627 4.170 0.002 0.000 0.346 144 I C 1.169 177.255 176.117 -0.051 0.000 1.510 144 I CA 0.187 61.463 61.300 -0.040 0.000 1.090 144 I CB -0.103 37.874 38.000 -0.038 0.000 1.506 144 I HN 0.094 8.304 8.210 -0.000 0.000 0.477 145 G N 1.936 110.569 108.800 -0.278 0.000 2.446 145 G HA2 -0.185 3.776 3.960 0.002 0.000 0.217 145 G HA3 -0.185 3.776 3.960 0.002 0.000 0.217 145 G C 1.428 176.205 174.900 -0.204 0.000 1.168 145 G CA 1.015 45.812 45.100 -0.506 0.000 0.771 145 G HN 0.556 8.846 8.290 -0.000 0.000 0.551 146 G N 1.310 110.035 108.800 -0.124 0.000 2.599 146 G HA2 -0.320 3.642 3.960 0.002 0.000 0.219 146 G HA3 -0.320 3.642 3.960 0.002 0.000 0.219 146 G C 1.804 176.731 174.900 0.044 0.000 1.193 146 G CA 1.103 46.270 45.100 0.111 0.000 0.778 146 G HN 0.426 8.716 8.290 -0.000 0.000 0.589 147 L N -0.889 120.305 121.223 -0.048 0.000 2.021 147 L HA -0.157 4.184 4.340 0.002 0.000 0.215 147 L C 2.840 179.600 176.870 -0.183 0.000 1.074 147 L CA 1.498 56.240 54.840 -0.163 0.000 0.760 147 L CB -0.601 41.275 42.059 -0.305 0.000 0.889 147 L HN 0.195 8.425 8.230 -0.000 0.000 0.433 148 F N -0.189 119.708 119.950 -0.087 0.000 2.293 148 F HA -0.165 4.364 4.527 0.003 0.000 0.300 148 F C 2.646 178.432 175.800 -0.024 0.000 1.086 148 F CA 1.240 59.200 58.000 -0.067 0.000 1.375 148 F CB -0.183 38.767 39.000 -0.082 0.000 1.045 148 F HN 0.163 8.463 8.300 -0.000 0.000 0.516 149 E N 0.420 120.730 120.200 0.184 0.000 2.274 149 E HA -0.141 4.210 4.350 0.002 0.000 0.194 149 E C 1.394 178.036 176.600 0.071 0.000 0.996 149 E CA 0.748 57.233 56.400 0.143 0.000 0.840 149 E CB 0.173 29.990 29.700 0.195 0.000 0.772 149 E HN 0.154 8.514 8.360 -0.000 0.000 0.491 150 K N 0.797 121.218 120.400 0.035 0.000 2.374 150 K HA 0.007 4.328 4.320 0.002 0.000 0.196 150 K C -0.079 176.506 176.600 -0.025 0.000 1.023 150 K CA 0.461 56.747 56.287 -0.001 0.000 1.103 150 K CB 0.193 32.682 32.500 -0.019 0.000 0.848 150 K HN 0.095 8.345 8.250 -0.000 0.000 0.528 151 D N 0.411 120.797 120.400 -0.023 0.000 2.723 151 D HA -0.159 4.482 4.640 0.002 0.000 0.236 151 D C -0.398 175.843 176.300 -0.099 0.000 1.138 151 D CA 0.208 54.183 54.000 -0.041 0.000 0.676 151 D CB -0.920 39.870 40.800 -0.016 0.000 1.069 151 D HN 0.018 8.388 8.370 -0.000 0.000 0.430 152 L N -0.155 120.971 121.223 -0.161 0.000 2.700 152 L HA 0.330 4.671 4.340 0.002 0.000 0.234 152 L C 0.191 176.880 176.870 -0.302 0.000 1.156 152 L CA 0.108 54.829 54.840 -0.198 0.000 0.946 152 L CB 0.848 42.800 42.059 -0.178 0.000 1.216 152 L HN 0.147 8.377 8.230 -0.000 0.000 0.493 153 V N -0.278 119.411 119.914 -0.375 0.000 2.334 153 V HA 0.200 4.321 4.120 0.002 0.000 0.281 153 V C 1.188 177.095 176.094 -0.313 0.000 1.016 153 V CA -0.427 61.576 62.300 -0.495 0.000 0.832 153 V CB 1.764 33.015 31.823 -0.953 0.000 0.999 153 V HN 0.277 8.467 8.190 -0.000 0.000 0.439 154 E N 5.693 125.701 120.200 -0.321 0.000 2.060 154 E HA 0.041 4.392 4.350 0.002 0.000 0.189 154 E C 0.158 176.760 176.600 0.004 0.000 0.974 154 E CA 0.815 57.122 56.400 -0.156 0.000 0.808 154 E CB 0.504 30.089 29.700 -0.193 0.000 0.768 154 E HN 0.750 9.110 8.360 -0.000 0.000 0.453 155 W N -0.991 120.221 121.300 -0.148 0.000 2.989 155 W HA 0.518 5.179 4.660 0.002 0.000 0.344 155 W C -1.765 174.683 176.519 -0.119 0.000 1.233 155 W CA -0.826 56.450 57.345 -0.115 0.000 1.187 155 W CB 0.405 29.805 29.460 -0.100 0.000 1.443 155 W HN -0.279 7.901 8.180 -0.000 0.000 0.573 156 I N 2.922 123.713 120.570 0.368 0.000 2.586 156 I HA 0.161 4.333 4.170 0.002 0.000 0.288 156 I C -0.026 176.333 176.117 0.404 0.000 1.147 156 I CA -0.686 60.748 61.300 0.225 0.000 1.047 156 I CB 2.485 40.462 38.000 -0.039 0.000 1.244 156 I HN 0.425 8.635 8.210 -0.000 0.000 0.429 157 S N 5.972 121.986 115.700 0.523 0.000 2.475 157 S HA 0.734 5.205 4.470 0.002 0.000 0.281 157 S C -0.511 174.302 174.600 0.354 0.000 1.198 157 S CA -0.539 57.893 58.200 0.387 0.000 1.063 157 S CB 1.384 64.832 63.200 0.412 0.000 0.972 157 S HN 0.314 8.624 8.310 -0.000 0.000 0.486 158 V N 1.963 122.050 119.914 0.289 0.000 2.769 158 V HA 0.919 5.041 4.120 0.002 0.000 0.312 158 V C 0.120 176.315 176.094 0.169 0.000 1.058 158 V CA -0.751 61.751 62.300 0.337 0.000 0.952 158 V CB 1.605 33.651 31.823 0.372 0.000 1.019 158 V HN 1.223 9.413 8.190 -0.000 0.000 0.445 159 A N 1.959 124.846 122.820 0.111 0.000 2.402 159 A HA 0.788 5.109 4.320 0.002 0.000 0.291 159 A C -0.248 177.308 177.584 -0.047 0.000 1.051 159 A CA -0.290 51.750 52.037 0.005 0.000 0.716 159 A CB 1.598 20.616 19.000 0.030 0.000 1.223 159 A HN 0.995 9.145 8.150 -0.000 0.000 0.425 160 T N -1.021 113.450 114.554 -0.137 0.000 2.940 160 T HA 0.713 5.065 4.350 0.002 0.000 0.288 160 T C -0.990 173.543 174.700 -0.278 0.000 1.033 160 T CA -0.427 61.613 62.100 -0.100 0.000 1.033 160 T CB 0.972 69.788 68.868 -0.085 0.000 1.079 160 T HN 0.440 8.680 8.240 -0.000 0.000 0.496 161 Y N 0.775 121.053 120.300 -0.036 0.000 2.863 161 Y HA 0.394 4.945 4.550 0.002 0.000 0.348 161 Y C 0.518 176.429 175.900 0.018 0.000 1.028 161 Y CA -0.998 57.115 58.100 0.021 0.000 1.213 161 Y CB 0.640 39.156 38.460 0.093 0.000 1.120 161 Y HN 0.605 8.885 8.280 -0.000 0.000 0.598 162 Q N 1.723 121.544 119.800 0.035 0.000 2.261 162 Q HA 0.687 5.029 4.340 0.002 0.000 0.252 162 Q C 0.030 176.179 176.000 0.248 0.000 0.915 162 Q CA -0.728 55.058 55.803 -0.027 0.000 0.915 162 Q CB 1.694 30.168 28.738 -0.440 0.000 1.204 162 Q HN 0.726 8.996 8.270 -0.000 0.000 0.421 163 A N 1.511 124.663 122.820 0.553 0.000 2.366 163 A HA 0.418 4.740 4.320 0.002 0.000 0.249 163 A C 0.953 178.731 177.584 0.323 0.000 1.084 163 A CA 0.342 52.577 52.037 0.330 0.000 0.794 163 A CB 0.384 19.495 19.000 0.184 0.000 1.034 163 A HN 0.941 9.091 8.150 -0.000 0.000 0.491 164 A N 0.881 123.860 122.820 0.264 0.000 2.015 164 A HA -0.032 4.289 4.320 0.002 0.000 0.219 164 A C 2.297 180.018 177.584 0.227 0.000 1.163 164 A CA 2.055 54.303 52.037 0.352 0.000 0.646 164 A CB -1.037 18.204 19.000 0.401 0.000 0.806 164 A HN 1.682 9.832 8.150 -0.000 0.000 0.448 165 S N -0.396 115.394 115.700 0.149 0.000 2.440 165 S HA -0.029 4.442 4.470 0.002 0.000 0.238 165 S C 1.885 176.536 174.600 0.086 0.000 1.010 165 S CA 1.264 59.512 58.200 0.079 0.000 0.972 165 S CB -0.961 62.254 63.200 0.025 0.000 0.774 165 S HN 0.647 8.957 8.310 -0.000 0.000 0.501 166 G N 0.899 109.795 108.800 0.161 0.000 2.443 166 G HA2 0.211 4.172 3.960 0.002 0.000 0.219 166 G HA3 0.211 4.172 3.960 0.002 0.000 0.219 166 G C 1.453 176.437 174.900 0.139 0.000 1.131 166 G CA 0.535 45.750 45.100 0.193 0.000 0.775 166 G HN 0.779 9.069 8.290 -0.000 0.000 0.547 167 A N -0.767 122.126 122.820 0.122 0.000 2.095 167 A HA 0.592 4.913 4.320 0.002 0.000 0.212 167 A C 1.221 178.791 177.584 -0.023 0.000 1.162 167 A CA 1.355 53.416 52.037 0.040 0.000 0.753 167 A CB -0.008 18.986 19.000 -0.011 0.000 0.840 167 A HN 1.604 9.754 8.150 -0.000 0.000 0.468 168 G N -3.319 105.477 108.800 -0.007 0.000 2.339 168 G HA2 0.447 4.409 3.960 0.002 0.000 0.381 168 G HA3 0.447 4.409 3.960 0.002 0.000 0.381 168 G C 0.529 175.413 174.900 -0.027 0.000 1.400 168 G CA -0.155 44.929 45.100 -0.027 0.000 1.002 168 G HN 0.990 9.280 8.290 -0.000 0.000 0.633 169 A N 0.087 122.892 122.820 -0.024 0.000 1.902 169 A HA 0.037 4.358 4.320 0.002 0.000 0.217 169 A C 2.162 179.731 177.584 -0.026 0.000 1.181 169 A CA 2.328 54.355 52.037 -0.017 0.000 0.623 169 A CB -0.392 18.596 19.000 -0.021 0.000 0.818 169 A HN 0.687 8.837 8.150 -0.000 0.000 0.443 170 K N -0.377 119.992 120.400 -0.051 0.000 2.211 170 K HA -0.095 4.226 4.320 0.002 0.000 0.203 170 K C 1.555 178.106 176.600 -0.082 0.000 1.050 170 K CA 1.397 57.648 56.287 -0.060 0.000 0.945 170 K CB -0.187 32.270 32.500 -0.072 0.000 0.732 170 K HN 0.537 8.787 8.250 -0.000 0.000 0.451 171 N N 0.345 118.961 118.700 -0.140 0.000 2.270 171 N HA -0.061 4.680 4.740 0.002 0.000 0.181 171 N C 1.502 177.072 175.510 0.099 0.000 1.016 171 N CA 1.101 54.009 53.050 -0.236 0.000 0.870 171 N CB 0.044 38.240 38.487 -0.486 0.000 0.979 171 N HN 0.113 8.493 8.380 -0.000 0.000 0.431 172 M N 0.043 119.690 119.600 0.079 0.000 2.156 172 M HA -0.039 4.443 4.480 0.002 0.000 0.264 172 M C 1.907 178.260 176.300 0.088 0.000 1.067 172 M CA 1.347 56.715 55.300 0.113 0.000 1.131 172 M CB -0.071 32.569 32.600 0.068 0.000 1.368 172 M HN 0.049 8.339 8.290 -0.000 0.000 0.416 173 R N 0.006 120.533 120.500 0.046 0.000 2.096 173 R HA -0.175 4.167 4.340 0.002 0.000 0.235 173 R C 2.114 178.435 176.300 0.034 0.000 1.127 173 R CA 1.620 57.737 56.100 0.028 0.000 0.968 173 R CB -0.423 29.880 30.300 0.004 0.000 0.861 173 R HN 0.456 8.726 8.270 -0.000 0.000 0.440 174 E N 0.938 121.171 120.200 0.054 0.000 2.051 174 E HA -0.221 4.130 4.350 0.002 0.000 0.192 174 E C 1.909 178.559 176.600 0.082 0.000 0.991 174 E CA 1.078 57.515 56.400 0.062 0.000 0.799 174 E CB -0.061 29.707 29.700 0.113 0.000 0.748 174 E HN 0.143 8.503 8.360 -0.000 0.000 0.449 175 L N 0.906 122.240 121.223 0.184 0.000 2.043 175 L HA -0.198 4.143 4.340 0.002 0.000 0.212 175 L C 2.081 178.981 176.870 0.051 0.000 1.075 175 L CA 1.729 56.634 54.840 0.109 0.000 0.752 175 L CB -0.463 41.677 42.059 0.136 0.000 0.891 175 L HN 0.267 8.497 8.230 -0.000 0.000 0.432 176 L N -1.283 119.971 121.223 0.052 0.000 2.093 176 L HA -0.155 4.186 4.340 0.002 0.000 0.208 176 L C 2.442 179.324 176.870 0.019 0.000 1.085 176 L CA 1.236 56.098 54.840 0.036 0.000 0.755 176 L CB -0.704 41.375 42.059 0.034 0.000 0.904 176 L HN 0.239 8.469 8.230 -0.000 0.000 0.435 177 S N -0.652 115.045 115.700 -0.005 0.000 2.383 177 S HA -0.194 4.278 4.470 0.002 0.000 0.227 177 S C 1.934 176.506 174.600 -0.047 0.000 1.026 177 S CA 1.057 59.240 58.200 -0.028 0.000 0.981 177 S CB -0.161 63.003 63.200 -0.060 0.000 0.818 177 S HN 0.433 8.743 8.310 -0.000 0.000 0.472 178 Q N 0.653 120.393 119.800 -0.100 0.000 2.061 178 Q HA -0.073 4.269 4.340 0.002 0.000 0.204 178 Q C 2.278 178.368 176.000 0.149 0.000 0.984 178 Q CA 1.416 57.153 55.803 -0.110 0.000 0.846 178 Q CB -0.324 28.327 28.738 -0.146 0.000 0.902 178 Q HN 0.565 8.835 8.270 -0.000 0.000 0.421 179 M N -0.352 119.305 119.600 0.096 0.000 2.117 179 M HA -0.103 4.378 4.480 0.002 0.000 0.262 179 M C 2.256 178.613 176.300 0.094 0.000 1.065 179 M CA 1.494 56.855 55.300 0.100 0.000 1.114 179 M CB -0.669 31.970 32.600 0.065 0.000 1.361 179 M HN 0.320 8.610 8.290 -0.000 0.000 0.408 180 G N 1.193 110.037 108.800 0.073 0.000 2.459 180 G HA2 -0.189 3.772 3.960 0.002 0.000 0.217 180 G HA3 -0.189 3.772 3.960 0.002 0.000 0.217 180 G C 1.510 176.462 174.900 0.087 0.000 1.183 180 G CA 0.778 45.916 45.100 0.063 0.000 0.776 180 G HN 0.365 8.655 8.290 -0.000 0.000 0.552 181 L N 0.070 121.369 121.223 0.128 0.000 2.141 181 L HA 0.039 4.381 4.340 0.002 0.000 0.209 181 L C 2.852 179.823 176.870 0.168 0.000 1.094 181 L CA 0.311 55.254 54.840 0.171 0.000 0.763 181 L CB -0.347 41.876 42.059 0.274 0.000 0.908 181 L HN 0.172 8.402 8.230 -0.000 0.000 0.437 182 L N -0.504 120.832 121.223 0.189 0.000 2.093 182 L HA -0.168 4.174 4.340 0.002 0.000 0.208 182 L C 2.759 179.662 176.870 0.055 0.000 1.085 182 L CA 1.074 55.974 54.840 0.101 0.000 0.755 182 L CB -0.479 41.642 42.059 0.104 0.000 0.904 182 L HN 0.357 8.587 8.230 -0.000 0.000 0.435 183 E N 0.508 120.744 120.200 0.060 0.000 2.076 183 E HA -0.191 4.161 4.350 0.002 0.000 0.190 183 E C 2.033 178.654 176.600 0.035 0.000 0.979 183 E CA 1.010 57.434 56.400 0.040 0.000 0.807 183 E CB 0.066 29.789 29.700 0.038 0.000 0.761 183 E HN 0.499 8.859 8.360 -0.000 0.000 0.454 184 Q N 0.008 119.834 119.800 0.044 0.000 2.297 184 Q HA -0.088 4.253 4.340 0.002 0.000 0.208 184 Q C 1.944 177.963 176.000 0.032 0.000 0.981 184 Q CA 1.350 57.175 55.803 0.037 0.000 0.876 184 Q CB -0.157 28.608 28.738 0.044 0.000 0.921 184 Q HN 0.292 8.562 8.270 -0.000 0.000 0.446 185 A N 0.267 123.107 122.820 0.032 0.000 2.119 185 A HA -0.032 4.290 4.320 0.002 0.000 0.217 185 A C 1.588 179.177 177.584 0.008 0.000 1.153 185 A CA 1.288 53.336 52.037 0.018 0.000 0.692 185 A CB 0.153 19.157 19.000 0.006 0.000 0.799 185 A HN 0.292 8.442 8.150 -0.000 0.000 0.458 186 V N -3.410 116.510 119.914 0.010 0.000 3.265 186 V HA 0.146 4.268 4.120 0.002 0.000 0.346 186 V C 1.272 177.372 176.094 0.009 0.000 1.447 186 V CA 0.553 62.857 62.300 0.006 0.000 1.179 186 V CB -0.808 31.016 31.823 0.002 0.000 1.103 186 V HN 0.412 8.602 8.190 -0.000 0.000 0.530 187 S N 2.022 117.730 115.700 0.013 0.000 2.374 187 S HA -0.253 4.219 4.470 0.002 0.000 0.227 187 S C 2.073 176.679 174.600 0.010 0.000 1.037 187 S CA 2.097 60.305 58.200 0.013 0.000 1.024 187 S CB -0.870 62.339 63.200 0.016 0.000 0.861 187 S HN 1.136 9.446 8.310 -0.000 0.000 0.456 188 S N 2.299 118.004 115.700 0.009 0.000 2.371 188 S HA -0.057 4.415 4.470 0.002 0.000 0.224 188 S C 1.715 176.318 174.600 0.005 0.000 1.029 188 S CA 0.984 59.188 58.200 0.007 0.000 0.978 188 S CB -0.664 62.540 63.200 0.006 0.000 0.833 188 S HN 0.490 8.800 8.310 -0.000 0.000 0.466 189 E N 1.847 122.049 120.200 0.004 0.000 2.160 189 E HA 0.036 4.388 4.350 0.002 0.000 0.195 189 E C 1.969 178.571 176.600 0.003 0.000 0.991 189 E CA 0.949 57.351 56.400 0.003 0.000 0.810 189 E CB -0.579 29.122 29.700 0.001 0.000 0.742 189 E HN 0.504 8.864 8.360 -0.000 0.000 0.466 190 L N 0.455 121.681 121.223 0.005 0.000 2.141 190 L HA -0.150 4.191 4.340 0.002 0.000 0.209 190 L C 2.003 178.876 176.870 0.005 0.000 1.094 190 L CA 0.880 55.723 54.840 0.005 0.000 0.763 190 L CB -0.275 41.788 42.059 0.008 0.000 0.908 190 L HN 0.058 8.288 8.230 -0.000 0.000 0.437 191 K N -0.400 120.003 120.400 0.006 0.000 2.211 191 K HA -0.099 4.223 4.320 0.002 0.000 0.203 191 K C 0.552 177.154 176.600 0.004 0.000 1.050 191 K CA 0.512 56.802 56.287 0.005 0.000 0.945 191 K CB -0.495 32.008 32.500 0.006 0.000 0.732 191 K HN 0.158 8.408 8.250 -0.000 0.000 0.451 192 D N 2.584 122.986 120.400 0.004 0.000 2.383 192 D HA 0.017 4.658 4.640 0.002 0.000 0.245 192 D C -1.505 174.797 176.300 0.002 0.000 1.263 192 D CA -2.095 51.906 54.000 0.003 0.000 0.936 192 D CB 1.024 41.825 40.800 0.002 0.000 1.053 192 D HN -0.031 8.339 8.370 -0.000 0.000 0.507 193 P HA -0.115 4.305 4.420 -0.000 0.000 0.229 193 P C 0.465 177.766 177.300 0.001 0.000 1.150 193 P CA 0.597 63.699 63.100 0.002 0.000 0.765 193 P CB 0.336 32.038 31.700 0.002 0.000 0.783 194 A N -0.556 122.265 122.820 0.001 0.000 2.469 194 A HA 0.255 4.576 4.320 0.002 0.000 0.245 194 A C 1.052 178.636 177.584 0.000 0.000 1.221 194 A CA 0.031 52.069 52.037 0.001 0.000 0.946 194 A CB -0.355 18.645 19.000 0.001 0.000 1.049 194 A HN 0.293 8.443 8.150 -0.000 0.000 0.529 195 S N 0.096 115.796 115.700 0.000 0.000 2.576 195 S HA 0.299 4.770 4.470 0.002 0.000 0.272 195 S C 0.509 175.108 174.600 -0.001 0.000 1.352 195 S CA 0.348 58.548 58.200 -0.000 0.000 1.021 195 S CB 0.733 63.933 63.200 0.000 0.000 0.887 195 S HN 0.574 8.884 8.310 -0.000 0.000 0.542 196 S N 1.030 116.729 115.700 -0.002 0.000 2.488 196 S HA 0.120 4.591 4.470 0.002 0.000 0.278 196 S C 0.911 175.509 174.600 -0.003 0.000 1.259 196 S CA -0.757 57.441 58.200 -0.003 0.000 1.061 196 S CB -0.305 62.893 63.200 -0.003 0.000 0.910 196 S HN 0.703 9.013 8.310 -0.000 0.000 0.491 197 I N 5.980 126.548 120.570 -0.003 0.000 2.394 197 I HA -0.003 4.168 4.170 0.002 0.000 0.251 197 I C 1.588 177.702 176.117 -0.006 0.000 1.136 197 I CA 1.219 62.517 61.300 -0.004 0.000 1.425 197 I CB -0.323 37.675 38.000 -0.003 0.000 1.079 197 I HN 0.688 8.898 8.210 -0.000 0.000 0.425 198 L N 0.368 121.587 121.223 -0.006 0.000 2.056 198 L HA -0.183 4.159 4.340 0.002 0.000 0.207 198 L C 2.185 179.050 176.870 -0.010 0.000 1.078 198 L CA 2.076 56.911 54.840 -0.008 0.000 0.749 198 L CB -1.204 40.850 42.059 -0.007 0.000 0.901 198 L HN 0.355 8.585 8.230 -0.000 0.000 0.433 199 D N -0.631 119.764 120.400 -0.008 0.000 2.117 199 D HA -0.209 4.433 4.640 0.002 0.000 0.197 199 D C 2.256 178.550 176.300 -0.011 0.000 0.987 199 D CA 1.287 55.282 54.000 -0.009 0.000 0.829 199 D CB -0.024 40.772 40.800 -0.007 0.000 0.961 199 D HN 0.362 8.732 8.370 -0.000 0.000 0.460 200 I N 0.173 120.737 120.570 -0.009 0.000 2.179 200 I HA -0.240 3.931 4.170 0.002 0.000 0.242 200 I C 2.361 178.468 176.117 -0.016 0.000 1.088 200 I CA 1.526 62.820 61.300 -0.010 0.000 1.357 200 I CB -0.431 37.565 38.000 -0.006 0.000 1.051 200 I HN 0.160 8.370 8.210 -0.000 0.000 0.409 201 E N 1.746 121.937 120.200 -0.016 0.000 2.110 201 E HA -0.234 4.117 4.350 0.002 0.000 0.193 201 E C 2.115 178.698 176.600 -0.029 0.000 0.988 201 E CA 1.433 57.821 56.400 -0.021 0.000 0.804 201 E CB -0.304 29.386 29.700 -0.017 0.000 0.745 201 E HN 0.328 8.688 8.360 -0.000 0.000 0.458 202 R N 0.553 121.038 120.500 -0.025 0.000 2.091 202 R HA -0.070 4.271 4.340 0.002 0.000 0.238 202 R C 2.516 178.794 176.300 -0.037 0.000 1.136 202 R CA 1.940 58.023 56.100 -0.029 0.000 0.959 202 R CB -0.307 29.980 30.300 -0.021 0.000 0.856 202 R HN 0.186 8.456 8.270 -0.000 0.000 0.437 203 K N 0.355 120.736 120.400 -0.033 0.000 2.001 203 K HA -0.114 4.208 4.320 0.002 0.000 0.208 203 K C 2.247 178.814 176.600 -0.056 0.000 1.048 203 K CA 1.801 58.066 56.287 -0.036 0.000 0.932 203 K CB -0.290 32.196 32.500 -0.023 0.000 0.715 203 K HN 0.139 8.389 8.250 -0.000 0.000 0.437 204 V N -0.565 119.316 119.914 -0.055 0.000 2.343 204 V HA -0.219 3.902 4.120 0.002 0.000 0.247 204 V C 2.000 178.014 176.094 -0.133 0.000 1.051 204 V CA 2.168 64.421 62.300 -0.078 0.000 1.036 204 V CB -1.291 30.503 31.823 -0.050 0.000 0.654 204 V HN 0.188 8.378 8.190 -0.000 0.000 0.451 205 T N 0.902 115.393 114.554 -0.105 0.000 2.867 205 T HA 0.015 4.367 4.350 0.002 0.000 0.268 205 T C 2.158 176.772 174.700 -0.143 0.000 1.057 205 T CA 1.728 63.755 62.100 -0.121 0.000 1.136 205 T CB -0.496 68.327 68.868 -0.075 0.000 0.874 205 T HN 0.743 8.983 8.240 -0.000 0.000 0.466 206 A N 1.555 124.308 122.820 -0.111 0.000 1.933 206 A HA -0.088 4.234 4.320 0.002 0.000 0.218 206 A C 2.200 179.701 177.584 -0.139 0.000 1.175 206 A CA 1.854 53.832 52.037 -0.098 0.000 0.628 206 A CB -0.416 18.547 19.000 -0.062 0.000 0.814 206 A HN 0.351 8.501 8.150 -0.000 0.000 0.444 207 K N -0.364 119.927 120.400 -0.183 0.000 2.103 207 K HA 0.044 4.366 4.320 0.002 0.000 0.204 207 K C 1.951 178.189 176.600 -0.604 0.000 1.052 207 K CA 1.582 57.725 56.287 -0.240 0.000 0.945 207 K CB -0.419 31.985 32.500 -0.160 0.000 0.722 207 K HN 0.470 8.720 8.250 -0.000 0.000 0.443 208 M N -0.037 119.105 119.600 -0.764 0.000 2.213 208 M HA -0.144 4.337 4.480 0.002 0.000 0.263 208 M C 1.298 177.218 176.300 -0.632 0.000 1.062 208 M CA 1.638 56.202 55.300 -1.227 0.000 1.105 208 M CB 0.100 32.347 32.600 -0.589 0.000 1.385 208 M HN 0.026 8.316 8.290 -0.000 0.000 0.417 209 R N 0.183 120.497 120.500 -0.310 0.000 2.300 209 R HA 0.292 4.634 4.340 0.002 0.000 0.199 209 R C 0.716 176.987 176.300 -0.049 0.000 0.920 209 R CA 0.066 56.095 56.100 -0.119 0.000 1.046 209 R CB -0.068 30.180 30.300 -0.086 0.000 0.984 209 R HN 0.325 8.595 8.270 -0.000 0.000 0.493 210 A N 1.131 123.916 122.820 -0.058 0.000 2.366 210 A HA 0.007 4.328 4.320 0.002 0.000 0.250 210 A C 0.376 178.013 177.584 0.088 0.000 1.099 210 A CA -0.257 51.792 52.037 0.020 0.000 0.794 210 A CB 0.325 19.340 19.000 0.024 0.000 1.056 210 A HN 0.010 8.160 8.150 -0.000 0.000 0.499 211 D N 0.222 120.665 120.400 0.071 0.000 2.117 211 D HA -0.133 4.509 4.640 0.002 0.000 0.198 211 D C 1.271 177.630 176.300 0.098 0.000 0.982 211 D CA 1.890 55.934 54.000 0.075 0.000 0.828 211 D CB -0.246 40.582 40.800 0.047 0.000 0.967 211 D HN 0.729 9.099 8.370 -0.000 0.000 0.464 212 N N 0.151 118.912 118.700 0.103 0.000 2.515 212 N HA -0.106 4.635 4.740 0.002 0.000 0.191 212 N C -0.130 175.474 175.510 0.156 0.000 1.182 212 N CA -0.187 52.924 53.050 0.102 0.000 0.879 212 N CB -0.808 37.726 38.487 0.079 0.000 0.984 212 N HN 0.015 8.395 8.380 -0.000 0.000 0.453 213 F N 3.713 123.675 119.950 0.020 0.000 2.438 213 F HA 0.306 4.834 4.527 0.003 0.000 0.360 213 F C -1.908 173.912 175.800 0.033 0.000 1.118 213 F CA -3.132 54.883 58.000 0.025 0.000 1.164 213 F CB 0.471 39.484 39.000 0.022 0.000 1.131 213 F HN -0.013 8.287 8.300 -0.000 0.000 0.527 214 P HA 0.004 4.424 4.420 -0.000 0.000 0.258 214 P C -0.071 177.099 177.300 -0.217 0.000 1.214 214 P CA 0.296 63.262 63.100 -0.225 0.000 0.872 214 P CB 0.128 31.694 31.700 -0.224 0.000 0.890 215 T N -1.727 112.797 114.554 -0.050 0.000 3.399 215 T HA 0.114 4.465 4.350 0.002 0.000 0.305 215 T C 0.673 175.409 174.700 0.060 0.000 0.983 215 T CA -0.339 61.785 62.100 0.040 0.000 0.967 215 T CB -0.311 68.619 68.868 0.103 0.000 1.186 215 T HN 0.043 8.283 8.240 -0.000 0.000 0.504 216 D N 2.170 122.580 120.400 0.017 0.000 2.144 216 D HA -0.092 4.550 4.640 0.002 0.000 0.199 216 D C 1.734 178.026 176.300 -0.013 0.000 0.984 216 D CA 0.915 54.918 54.000 0.005 0.000 0.834 216 D CB 0.084 40.877 40.800 -0.011 0.000 0.955 216 D HN 0.463 8.833 8.370 -0.000 0.000 0.465 217 N N -0.162 118.511 118.700 -0.044 0.000 2.250 217 N HA -0.049 4.692 4.740 0.002 0.000 0.181 217 N C 1.698 177.077 175.510 -0.218 0.000 1.017 217 N CA 0.576 53.530 53.050 -0.161 0.000 0.866 217 N CB -0.163 38.164 38.487 -0.267 0.000 0.985 217 N HN 0.211 8.591 8.380 -0.000 0.000 0.429 218 F N 0.124 120.080 119.950 0.011 0.000 2.530 218 F HA 0.217 4.746 4.527 0.003 0.000 0.292 218 F C 1.765 177.581 175.800 0.027 0.000 1.109 218 F CA 0.425 58.443 58.000 0.029 0.000 1.450 218 F CB 0.200 39.221 39.000 0.034 0.000 1.114 218 F HN 0.070 8.370 8.300 -0.000 0.000 0.560 219 G N 0.816 109.724 108.800 0.179 0.000 2.136 219 G HA2 0.044 4.005 3.960 0.002 0.000 0.242 219 G HA3 0.044 4.005 3.960 0.002 0.000 0.242 219 G C -0.015 174.951 174.900 0.110 0.000 0.989 219 G CA 0.026 45.189 45.100 0.105 0.000 0.682 219 G HN 0.936 9.226 8.290 -0.000 0.000 0.522 220 A N -1.985 120.927 122.820 0.153 0.000 2.489 220 A HA 0.928 5.249 4.320 0.002 0.000 0.293 220 A C 0.034 177.703 177.584 0.141 0.000 1.004 220 A CA 0.312 52.425 52.037 0.126 0.000 0.626 220 A CB -0.301 18.753 19.000 0.090 0.000 1.345 220 A HN 2.161 10.311 8.150 -0.000 0.000 0.447 221 A N -0.411 122.499 122.820 0.150 0.000 2.407 221 A HA 0.560 4.882 4.320 0.002 0.000 0.248 221 A C 0.639 178.235 177.584 0.021 0.000 1.082 221 A CA 0.723 52.876 52.037 0.192 0.000 0.785 221 A CB 0.368 19.540 19.000 0.286 0.000 1.020 221 A HN 2.066 10.216 8.150 -0.000 0.000 0.489 222 L N 2.521 123.703 121.223 -0.068 0.000 2.638 222 L HA 0.400 4.741 4.340 0.002 0.000 0.195 222 L C 1.485 178.304 176.870 -0.084 0.000 1.065 222 L CA 1.377 56.074 54.840 -0.240 0.000 0.859 222 L CB -0.633 41.011 42.059 -0.691 0.000 1.269 222 L HN 0.778 9.008 8.230 -0.000 0.000 0.484 223 G N -0.393 108.403 108.800 -0.007 0.000 2.305 223 G HA2 0.342 4.303 3.960 0.002 0.000 0.243 223 G HA3 0.342 4.303 3.960 0.002 0.000 0.243 223 G C 0.955 175.910 174.900 0.092 0.000 1.288 223 G CA 0.249 45.387 45.100 0.063 0.000 0.901 223 G HN 1.104 9.394 8.290 -0.000 0.000 0.516 224 G N 0.181 109.015 108.800 0.056 0.000 2.166 224 G HA2 -0.125 3.837 3.960 0.002 0.000 0.260 224 G HA3 -0.125 3.837 3.960 0.002 0.000 0.260 224 G C 0.574 175.488 174.900 0.023 0.000 0.986 224 G CA 1.265 46.388 45.100 0.039 0.000 0.683 224 G HN 1.576 9.866 8.290 -0.000 0.000 0.527 225 S N -1.942 113.769 115.700 0.018 0.000 3.287 225 S HA 0.888 5.360 4.470 0.002 0.000 0.324 225 S C -1.524 173.072 174.600 -0.007 0.000 1.205 225 S CA 0.438 58.642 58.200 0.007 0.000 1.020 225 S CB 0.861 64.069 63.200 0.013 0.000 1.398 225 S HN 1.820 10.130 8.310 -0.000 0.000 0.679 226 L N -0.416 120.798 121.223 -0.014 0.000 2.775 226 L HA 0.733 5.074 4.340 0.002 0.000 0.263 226 L C -1.763 175.100 176.870 -0.012 0.000 1.017 226 L CA -0.591 54.234 54.840 -0.024 0.000 0.891 226 L CB 1.043 43.097 42.059 -0.008 0.000 1.482 226 L HN 0.603 8.833 8.230 -0.000 0.000 0.410 227 I N 2.043 122.611 120.570 -0.005 0.000 2.493 227 I HA 0.386 4.557 4.170 0.002 0.000 0.279 227 I C -2.111 174.060 176.117 0.089 0.000 1.045 227 I CA -1.117 60.216 61.300 0.055 0.000 1.106 227 I CB 2.489 40.535 38.000 0.076 0.000 1.216 227 I HN 0.552 8.762 8.210 -0.000 0.000 0.459 228 P HA 0.010 4.430 4.420 -0.000 0.000 0.237 228 P C -0.859 176.561 177.300 0.200 0.000 1.723 228 P CA 0.263 63.420 63.100 0.094 0.000 0.882 228 P CB -0.215 31.527 31.700 0.069 0.000 1.810 229 W N 1.902 123.211 121.300 0.015 0.000 3.423 229 W HA 0.386 5.047 4.660 0.002 0.000 0.330 229 W C -2.280 174.269 176.519 0.049 0.000 1.102 229 W CA -0.640 56.724 57.345 0.031 0.000 1.261 229 W CB 1.045 30.526 29.460 0.034 0.000 1.283 229 W HN -0.213 7.967 8.180 -0.000 0.000 0.447 230 I N 6.952 127.535 120.570 0.022 0.000 2.466 230 I HA 0.265 4.436 4.170 0.002 0.000 0.289 230 I C 0.255 176.415 176.117 0.071 0.000 1.026 230 I CA -0.183 61.187 61.300 0.116 0.000 1.078 230 I CB 1.837 39.867 38.000 0.051 0.000 1.249 230 I HN 0.356 8.566 8.210 -0.000 0.000 0.429 231 D N 3.591 124.107 120.400 0.194 0.000 5.308 231 D HA -0.181 4.460 4.640 0.002 0.000 0.305 231 D C -0.486 175.976 176.300 0.270 0.000 2.365 231 D CA 0.333 54.437 54.000 0.173 0.000 1.346 231 D CB 0.271 41.131 40.800 0.101 0.000 1.074 231 D HN 0.552 8.922 8.370 -0.000 0.000 1.238 232 K N 0.547 121.070 120.400 0.205 0.000 2.202 232 K HA 0.306 4.627 4.320 0.002 0.000 0.264 232 K C 0.657 177.385 176.600 0.214 0.000 1.010 232 K CA -0.643 55.786 56.287 0.236 0.000 0.940 232 K CB 0.588 33.170 32.500 0.137 0.000 0.983 232 K HN 0.391 8.641 8.250 -0.000 0.000 0.475 233 L N 3.326 124.735 121.223 0.309 0.000 2.895 233 L HA 0.343 4.685 4.340 0.002 0.000 0.168 233 L C -1.720 175.197 176.870 0.078 0.000 1.252 233 L CA -0.322 54.667 54.840 0.249 0.000 1.305 233 L CB -0.253 42.097 42.059 0.485 0.000 2.208 233 L HN 0.727 8.957 8.230 -0.000 0.000 0.503 234 P HA 0.171 4.591 4.420 -0.000 0.000 0.427 234 P C 0.806 178.083 177.300 -0.039 0.000 1.088 234 P CA -0.097 62.993 63.100 -0.017 0.000 1.694 234 P CB 0.859 32.550 31.700 -0.015 0.000 1.305 235 E N 0.741 120.894 120.200 -0.079 0.000 2.058 235 E HA -0.171 4.180 4.350 0.002 0.000 0.194 235 E C 0.928 177.495 176.600 -0.056 0.000 0.997 235 E CA 2.265 58.616 56.400 -0.081 0.000 0.801 235 E CB 0.068 29.687 29.700 -0.136 0.000 0.746 235 E HN 0.265 8.625 8.360 -0.000 0.000 0.450 236 T N -4.911 109.605 114.554 -0.063 0.000 3.004 236 T HA 0.392 4.743 4.350 0.002 0.000 0.266 236 T C 1.277 175.966 174.700 -0.019 0.000 0.986 236 T CA 0.595 62.680 62.100 -0.025 0.000 0.902 236 T CB 1.053 69.923 68.868 0.003 0.000 1.118 236 T HN 0.363 8.603 8.240 -0.000 0.000 0.522 237 G N 1.340 110.124 108.800 -0.027 0.000 2.225 237 G HA2 -0.276 3.685 3.960 0.002 0.000 0.254 237 G HA3 -0.276 3.685 3.960 0.002 0.000 0.254 237 G C 0.091 174.948 174.900 -0.071 0.000 0.988 237 G CA 0.248 45.337 45.100 -0.017 0.000 0.625 237 G HN 0.694 8.984 8.290 -0.000 0.000 0.527 238 Q N 0.710 120.467 119.800 -0.070 0.000 2.631 238 Q HA 0.503 4.845 4.340 0.002 0.000 0.210 238 Q C 0.911 176.801 176.000 -0.182 0.000 1.094 238 Q CA 0.780 56.524 55.803 -0.098 0.000 1.055 238 Q CB 0.332 29.085 28.738 0.025 0.000 1.261 238 Q HN 0.561 8.831 8.270 -0.000 0.000 0.615 239 T N -3.013 111.405 114.554 -0.228 0.000 2.945 239 T HA 0.258 4.609 4.350 0.002 0.000 0.286 239 T C 0.663 175.344 174.700 -0.030 0.000 1.025 239 T CA -1.018 60.919 62.100 -0.273 0.000 1.039 239 T CB 1.552 70.113 68.868 -0.512 0.000 1.068 239 T HN 0.645 8.885 8.240 -0.000 0.000 0.497 240 K N 0.269 120.694 120.400 0.042 0.000 2.127 240 K HA -0.250 4.071 4.320 0.002 0.000 0.208 240 K C 1.992 178.717 176.600 0.208 0.000 1.047 240 K CA 1.930 58.331 56.287 0.191 0.000 0.927 240 K CB -0.138 32.463 32.500 0.169 0.000 0.716 240 K HN 0.742 8.992 8.250 -0.000 0.000 0.450 241 E N 0.984 121.234 120.200 0.084 0.000 2.031 241 E HA -0.189 4.162 4.350 0.002 0.000 0.193 241 E C 1.585 178.213 176.600 0.047 0.000 0.994 241 E CA 1.899 58.329 56.400 0.051 0.000 0.800 241 E CB 0.009 29.710 29.700 0.002 0.000 0.752 241 E HN 0.375 8.735 8.360 -0.000 0.000 0.447 242 E N -0.847 119.367 120.200 0.022 0.000 2.110 242 E HA -0.182 4.169 4.350 0.002 0.000 0.193 242 E C 1.628 178.306 176.600 0.130 0.000 0.988 242 E CA 1.121 57.543 56.400 0.036 0.000 0.804 242 E CB -0.377 29.309 29.700 -0.023 0.000 0.745 242 E HN 0.422 8.782 8.360 -0.000 0.000 0.458 243 W N 2.169 123.460 121.300 -0.014 0.000 2.358 243 W HA -0.168 4.493 4.660 0.003 0.000 0.303 243 W C 1.439 177.988 176.519 0.049 0.000 1.208 243 W CA 1.405 58.766 57.345 0.027 0.000 1.274 243 W CB -0.051 29.415 29.460 0.009 0.000 1.138 243 W HN -0.160 8.020 8.180 -0.000 0.000 0.515 244 K N -0.205 120.107 120.400 -0.146 0.000 2.281 244 K HA -0.122 4.199 4.320 0.002 0.000 0.203 244 K C 2.267 178.732 176.600 -0.225 0.000 1.046 244 K CA 1.131 57.213 56.287 -0.342 0.000 0.938 244 K CB -0.788 31.626 32.500 -0.143 0.000 0.737 244 K HN 0.360 8.610 8.250 -0.000 0.000 0.458 245 G N 0.607 109.356 108.800 -0.086 0.000 2.433 245 G HA2 -0.285 3.676 3.960 0.002 0.000 0.216 245 G HA3 -0.285 3.676 3.960 0.002 0.000 0.216 245 G C 1.321 176.229 174.900 0.013 0.000 1.186 245 G CA 0.655 45.744 45.100 -0.019 0.000 0.779 245 G HN 0.375 8.665 8.290 -0.000 0.000 0.543 246 Y N 1.449 121.664 120.300 -0.141 0.000 2.133 246 Y HA 0.014 4.565 4.550 0.002 0.000 0.287 246 Y C 3.121 178.891 175.900 -0.216 0.000 1.134 246 Y CA 0.939 58.969 58.100 -0.118 0.000 1.133 246 Y CB -0.019 38.419 38.460 -0.037 0.000 0.987 246 Y HN 0.304 8.584 8.280 -0.000 0.000 0.502 247 A N 0.732 123.310 122.820 -0.404 0.000 1.834 247 A HA -0.264 4.057 4.320 0.002 0.000 0.216 247 A C 1.917 179.270 177.584 -0.384 0.000 1.203 247 A CA 2.129 53.815 52.037 -0.586 0.000 0.621 247 A CB -1.024 17.280 19.000 -1.160 0.000 0.841 247 A HN 0.606 8.756 8.150 -0.000 0.000 0.446 248 E N -1.025 118.957 120.200 -0.362 0.000 2.153 248 E HA -0.130 4.222 4.350 0.002 0.000 0.194 248 E C 2.078 178.570 176.600 -0.179 0.000 0.988 248 E CA 1.492 57.751 56.400 -0.235 0.000 0.811 248 E CB -0.337 29.245 29.700 -0.196 0.000 0.746 248 E HN 0.628 8.988 8.360 -0.000 0.000 0.466 249 T N 1.180 115.632 114.554 -0.169 0.000 2.788 249 T HA -0.104 4.248 4.350 0.002 0.000 0.268 249 T C 1.571 176.153 174.700 -0.196 0.000 1.044 249 T CA 0.971 62.952 62.100 -0.199 0.000 1.139 249 T CB -0.108 68.650 68.868 -0.183 0.000 0.867 249 T HN 0.150 8.390 8.240 -0.000 0.000 0.454 250 N N 0.755 119.376 118.700 -0.132 0.000 2.207 250 N HA -0.001 4.740 4.740 0.002 0.000 0.182 250 N C 1.903 177.349 175.510 -0.108 0.000 1.020 250 N CA 0.758 53.748 53.050 -0.099 0.000 0.858 250 N CB -0.151 38.290 38.487 -0.077 0.000 0.991 250 N HN 0.378 8.758 8.380 -0.000 0.000 0.427 251 K N 1.291 121.614 120.400 -0.128 0.000 2.097 251 K HA -0.004 4.318 4.320 0.002 0.000 0.206 251 K C 1.996 178.547 176.600 -0.082 0.000 1.049 251 K CA 0.789 57.014 56.287 -0.104 0.000 0.933 251 K CB -0.023 32.407 32.500 -0.117 0.000 0.717 251 K HN 0.080 8.330 8.250 -0.000 0.000 0.442 252 I N 0.801 121.312 120.570 -0.098 0.000 2.315 252 I HA -0.241 3.931 4.170 0.002 0.000 0.248 252 I C 1.776 177.850 176.117 -0.071 0.000 1.117 252 I CA 0.959 62.212 61.300 -0.078 0.000 1.404 252 I CB -0.018 37.918 38.000 -0.106 0.000 1.071 252 I HN 0.175 8.385 8.210 -0.000 0.000 0.419 253 L N 0.580 121.742 121.223 -0.102 0.000 2.591 253 L HA 0.167 4.509 4.340 0.002 0.000 0.228 253 L C 1.030 177.876 176.870 -0.040 0.000 1.133 253 L CA 0.169 54.963 54.840 -0.078 0.000 0.880 253 L CB -0.506 41.486 42.059 -0.112 0.000 1.033 253 L HN 0.446 8.676 8.230 -0.000 0.000 0.450 254 G N 1.648 110.424 108.800 -0.040 0.000 2.370 254 G HA2 -0.265 3.697 3.960 0.002 0.000 0.295 254 G HA3 -0.265 3.697 3.960 0.002 0.000 0.295 254 G C -0.416 174.467 174.900 -0.028 0.000 1.045 254 G CA -0.093 44.990 45.100 -0.029 0.000 1.199 254 G HN 0.278 8.568 8.290 -0.000 0.000 0.513 255 L N 0.319 121.525 121.223 -0.030 0.000 2.541 255 L HA 0.326 4.668 4.340 0.002 0.000 0.266 255 L C 0.793 177.651 176.870 -0.020 0.000 0.966 255 L CA -0.910 53.923 54.840 -0.012 0.000 0.871 255 L CB 1.672 43.739 42.059 0.013 0.000 1.232 255 L HN 0.208 8.438 8.230 -0.000 0.000 0.408 256 D N 0.915 121.304 120.400 -0.019 0.000 4.303 256 D HA -0.295 4.346 4.640 0.002 0.000 0.313 256 D C 0.545 176.852 176.300 0.012 0.000 1.204 256 D CA 2.222 56.218 54.000 -0.005 0.000 1.762 256 D CB -0.288 40.511 40.800 -0.001 0.000 0.999 256 D HN 0.534 8.904 8.370 -0.000 0.000 0.657 257 N N 1.548 120.262 118.700 0.024 0.000 3.044 257 N HA 0.232 4.974 4.740 0.002 0.000 0.254 257 N C -2.545 173.013 175.510 0.079 0.000 1.253 257 N CA -0.793 52.287 53.050 0.049 0.000 0.944 257 N CB 1.327 39.840 38.487 0.043 0.000 1.217 257 N HN 0.272 8.652 8.380 -0.000 0.000 0.498 258 P HA 0.161 4.581 4.420 -0.000 0.000 0.271 258 P C 0.130 177.620 177.300 0.317 0.000 1.220 258 P CA -0.027 63.187 63.100 0.190 0.000 0.768 258 P CB 1.282 33.037 31.700 0.093 0.000 0.848 259 I N 5.797 126.549 120.570 0.302 0.000 2.441 259 I HA 0.165 4.336 4.170 0.002 0.000 0.287 259 I C -2.009 174.235 176.117 0.212 0.000 1.049 259 I CA -2.469 58.979 61.300 0.246 0.000 1.381 259 I CB 0.866 39.025 38.000 0.265 0.000 1.409 259 I HN 0.110 8.320 8.210 -0.000 0.000 0.523 260 P HA 0.131 4.551 4.420 -0.000 0.000 0.271 260 P C -1.045 176.209 177.300 -0.078 0.000 1.226 260 P CA 0.043 62.966 63.100 -0.296 0.000 0.765 260 P CB 0.708 32.297 31.700 -0.186 0.000 0.835 261 V N 4.294 124.095 119.914 -0.187 0.000 2.524 261 V HA 0.521 4.643 4.120 0.002 0.000 0.297 261 V C -0.512 175.567 176.094 -0.026 0.000 1.035 261 V CA -0.195 62.112 62.300 0.011 0.000 0.867 261 V CB 2.028 33.900 31.823 0.082 0.000 1.004 261 V HN 0.474 8.664 8.190 -0.000 0.000 0.426 262 D N 1.943 122.359 120.400 0.026 0.000 2.622 262 D HA 0.827 5.468 4.640 0.002 0.000 0.255 262 D C -0.034 176.300 176.300 0.056 0.000 1.246 262 D CA 0.817 54.828 54.000 0.018 0.000 0.795 262 D CB 2.567 43.337 40.800 -0.051 0.000 1.369 262 D HN 0.872 9.242 8.370 -0.000 0.000 0.425 263 G N -0.320 108.502 108.800 0.037 0.000 2.404 263 G HA2 0.332 4.293 3.960 0.002 0.000 0.253 263 G HA3 0.332 4.293 3.960 0.002 0.000 0.253 263 G C -1.864 173.037 174.900 0.002 0.000 1.253 263 G CA -0.688 44.436 45.100 0.040 0.000 0.917 263 G HN 0.460 8.750 8.290 -0.000 0.000 0.480 264 L N 0.022 121.239 121.223 -0.009 0.000 2.333 264 L HA 0.550 4.891 4.340 0.002 0.000 0.280 264 L C -0.532 176.296 176.870 -0.071 0.000 1.004 264 L CA -0.810 53.998 54.840 -0.052 0.000 0.820 264 L CB 2.108 44.136 42.059 -0.052 0.000 1.247 264 L HN 0.547 8.777 8.230 -0.000 0.000 0.416 265 C N 3.670 122.915 119.300 -0.091 0.000 2.239 265 C HA 0.568 5.030 4.460 0.002 0.000 0.325 265 C C 0.374 175.306 174.990 -0.097 0.000 1.231 265 C CA -0.706 58.254 59.018 -0.096 0.000 1.652 265 C CB 0.411 28.100 27.740 -0.085 0.000 2.284 265 C HN 0.455 8.685 8.230 -0.000 0.000 0.499 266 V N 4.383 124.222 119.914 -0.125 0.000 2.495 266 V HA 0.500 4.622 4.120 0.002 0.000 0.298 266 V C 0.115 176.164 176.094 -0.076 0.000 1.031 266 V CA -0.700 61.539 62.300 -0.103 0.000 0.871 266 V CB 1.699 33.419 31.823 -0.171 0.000 0.988 266 V HN 0.798 8.988 8.190 -0.000 0.000 0.432 267 R N 4.413 124.905 120.500 -0.014 0.000 2.297 267 R HA 0.745 5.087 4.340 0.002 0.000 0.308 267 R C -0.495 175.796 176.300 -0.016 0.000 1.029 267 R CA -0.222 55.886 56.100 0.014 0.000 0.929 267 R CB 0.836 31.178 30.300 0.070 0.000 1.046 267 R HN 0.839 9.109 8.270 -0.000 0.000 0.461 268 I N -0.503 120.077 120.570 0.016 0.000 3.322 268 I HA 0.619 4.790 4.170 0.002 0.000 0.313 268 I C 0.225 176.346 176.117 0.007 0.000 1.129 268 I CA -1.473 59.839 61.300 0.019 0.000 0.963 268 I CB 2.131 40.197 38.000 0.109 0.000 1.273 268 I HN 0.639 8.849 8.210 -0.000 0.000 0.473 269 G N 1.734 110.540 108.800 0.009 0.000 3.102 269 G HA2 0.560 4.522 3.960 0.002 0.000 0.264 269 G HA3 0.560 4.522 3.960 0.002 0.000 0.264 269 G C -0.172 174.762 174.900 0.057 0.000 0.788 269 G CA 0.156 45.263 45.100 0.011 0.000 2.029 269 G HN 0.912 9.202 8.290 -0.000 0.000 0.608 270 A N 1.147 124.018 122.820 0.084 0.000 2.401 270 A HA 0.716 5.038 4.320 0.002 0.000 0.310 270 A C 0.858 178.504 177.584 0.104 0.000 1.075 270 A CA -0.703 51.392 52.037 0.097 0.000 0.746 270 A CB 1.266 20.341 19.000 0.124 0.000 1.277 270 A HN 0.283 8.433 8.150 -0.000 0.000 0.425 271 L N 0.423 121.696 121.223 0.083 0.000 2.034 271 L HA 0.014 4.355 4.340 0.002 0.000 0.203 271 L C 2.214 179.123 176.870 0.065 0.000 1.074 271 L CA 1.684 56.570 54.840 0.077 0.000 0.748 271 L CB -0.126 41.966 42.059 0.055 0.000 0.905 271 L HN 0.949 9.179 8.230 -0.000 0.000 0.439 272 R N -2.503 118.020 120.500 0.038 0.000 2.549 272 R HA 0.288 4.630 4.340 0.002 0.000 0.399 272 R C -0.412 175.851 176.300 -0.062 0.000 0.964 272 R CA -0.352 55.740 56.100 -0.013 0.000 1.173 272 R CB -0.318 29.972 30.300 -0.018 0.000 1.535 272 R HN 0.080 8.350 8.270 -0.000 0.000 0.551 273 C N 2.430 121.729 119.300 -0.003 0.000 2.351 273 C HA 0.527 4.989 4.460 0.002 0.000 0.326 273 C C -0.458 174.590 174.990 0.097 0.000 1.272 273 C CA -0.657 58.361 59.018 0.001 0.000 1.650 273 C CB 0.656 28.423 27.740 0.046 0.000 2.257 273 C HN 0.393 8.623 8.230 -0.000 0.000 0.505 274 H N 1.134 120.238 119.070 0.056 0.000 2.487 274 H HA 0.530 5.087 4.556 0.003 0.000 0.333 274 H C -0.085 175.243 175.328 0.000 0.000 1.114 274 H CA 0.090 56.171 56.048 0.054 0.000 1.310 274 H CB 1.466 31.261 29.762 0.054 0.000 1.462 274 H HN 0.584 8.864 8.280 -0.000 0.000 0.516 275 S N 2.380 118.155 115.700 0.125 0.000 2.536 275 S HA 0.517 4.988 4.470 0.002 0.000 0.298 275 S C -0.513 173.976 174.600 -0.185 0.000 1.083 275 S CA -0.875 57.233 58.200 -0.152 0.000 0.995 275 S CB 1.927 65.058 63.200 -0.114 0.000 1.058 275 S HN 0.510 8.820 8.310 -0.000 0.000 0.488 276 Q N 0.803 120.208 119.800 -0.658 0.000 2.315 276 Q HA 0.664 5.006 4.340 0.002 0.000 0.273 276 Q C -1.349 174.070 176.000 -0.968 0.000 1.053 276 Q CA -0.758 54.679 55.803 -0.611 0.000 0.817 276 Q CB 2.291 30.625 28.738 -0.672 0.000 1.326 276 Q HN 0.731 9.001 8.270 -0.000 0.000 0.423 277 A N 2.884 125.495 122.820 -0.348 0.000 2.276 277 A HA 0.807 5.129 4.320 0.002 0.000 0.316 277 A C -1.196 176.287 177.584 -0.169 0.000 1.229 277 A CA -0.302 51.699 52.037 -0.060 0.000 0.851 277 A CB 0.249 19.481 19.000 0.386 0.000 1.165 277 A HN 0.633 8.783 8.150 -0.000 0.000 0.513 278 F N 0.695 120.737 119.950 0.153 0.000 2.532 278 F HA 0.508 5.036 4.527 0.002 0.000 0.321 278 F C 0.570 176.436 175.800 0.109 0.000 1.089 278 F CA -0.623 57.444 58.000 0.113 0.000 0.926 278 F CB 2.887 41.923 39.000 0.061 0.000 1.168 278 F HN 0.391 8.691 8.300 -0.000 0.000 0.459 279 T N 4.320 119.077 114.554 0.338 0.000 2.842 279 T HA 0.529 4.880 4.350 0.002 0.000 0.308 279 T C -0.412 174.325 174.700 0.060 0.000 1.041 279 T CA -0.354 61.882 62.100 0.227 0.000 0.964 279 T CB 0.290 69.346 68.868 0.314 0.000 0.972 279 T HN 0.296 8.536 8.240 -0.000 0.000 0.460 280 I N 3.273 123.783 120.570 -0.101 0.000 2.330 280 I HA 0.387 4.559 4.170 0.002 0.000 0.289 280 I C 0.154 175.885 176.117 -0.643 0.000 1.001 280 I CA -1.061 60.016 61.300 -0.371 0.000 1.193 280 I CB 1.473 39.301 38.000 -0.285 0.000 1.345 280 I HN 0.223 8.433 8.210 -0.000 0.000 0.461 281 K N 7.749 127.433 120.400 -1.194 0.000 2.262 281 K HA 0.389 4.711 4.320 0.002 0.000 0.288 281 K C -0.851 175.243 176.600 -0.844 0.000 1.090 281 K CA -0.020 55.453 56.287 -1.357 0.000 0.918 281 K CB 0.065 31.184 32.500 -2.303 0.000 1.139 281 K HN 0.528 8.778 8.250 -0.000 0.000 0.462 282 L N 5.038 125.902 121.223 -0.599 0.000 2.417 282 L HA 0.200 4.542 4.340 0.002 0.000 0.268 282 L C 1.188 177.852 176.870 -0.343 0.000 1.158 282 L CA -0.247 54.351 54.840 -0.403 0.000 0.819 282 L CB 0.927 42.813 42.059 -0.287 0.000 1.112 282 L HN 0.676 8.906 8.230 -0.000 0.000 0.458 283 K N 1.409 121.657 120.400 -0.253 0.000 2.366 283 K HA -0.039 4.283 4.320 0.002 0.000 0.198 283 K C -0.359 176.163 176.600 -0.130 0.000 1.044 283 K CA 0.706 56.887 56.287 -0.176 0.000 0.973 283 K CB -0.054 32.367 32.500 -0.131 0.000 0.767 283 K HN 0.434 8.684 8.250 -0.000 0.000 0.475 284 K N 0.447 120.768 120.400 -0.131 0.000 2.550 284 K HA 0.177 4.498 4.320 0.002 0.000 0.252 284 K C -1.727 174.819 176.600 -0.089 0.000 0.943 284 K CA -0.933 55.300 56.287 -0.091 0.000 0.806 284 K CB 1.407 33.866 32.500 -0.069 0.000 1.289 284 K HN -0.226 8.024 8.250 -0.000 0.000 0.435 285 D N 3.105 123.466 120.400 -0.064 0.000 2.363 285 D HA 0.176 4.817 4.640 0.002 0.000 0.263 285 D C -0.776 175.499 176.300 -0.041 0.000 1.258 285 D CA 0.257 54.227 54.000 -0.050 0.000 0.907 285 D CB 0.336 41.121 40.800 -0.025 0.000 1.107 285 D HN 0.571 8.941 8.370 -0.000 0.000 0.495 286 L N 5.048 126.244 121.223 -0.045 0.000 2.323 286 L HA 0.557 4.898 4.340 0.002 0.000 0.265 286 L C -2.011 174.843 176.870 -0.026 0.000 1.012 286 L CA -2.236 52.582 54.840 -0.036 0.000 0.820 286 L CB 2.399 44.431 42.059 -0.045 0.000 1.334 286 L HN 0.375 8.605 8.230 -0.000 0.000 0.427 287 P HA -0.016 4.404 4.420 -0.000 0.000 0.276 287 P C 0.734 178.027 177.300 -0.012 0.000 1.235 287 P CA -0.349 62.744 63.100 -0.012 0.000 0.772 287 P CB 1.186 32.881 31.700 -0.009 0.000 0.871 288 L N 2.694 123.912 121.223 -0.007 0.000 2.123 288 L HA -0.239 4.102 4.340 0.002 0.000 0.217 288 L C 1.956 178.824 176.870 -0.004 0.000 1.081 288 L CA 2.440 57.277 54.840 -0.005 0.000 0.772 288 L CB -1.131 40.930 42.059 0.003 0.000 0.890 288 L HN 0.414 8.644 8.230 -0.000 0.000 0.437 289 E N 0.255 120.453 120.200 -0.003 0.000 2.077 289 E HA -0.256 4.095 4.350 0.002 0.000 0.193 289 E C 2.105 178.703 176.600 -0.004 0.000 0.989 289 E CA 1.853 58.252 56.400 -0.002 0.000 0.800 289 E CB -0.179 29.520 29.700 -0.002 0.000 0.746 289 E HN 0.593 8.953 8.360 -0.000 0.000 0.452 290 E N -0.161 120.034 120.200 -0.008 0.000 2.047 290 E HA -0.147 4.204 4.350 0.002 0.000 0.191 290 E C 2.216 178.809 176.600 -0.012 0.000 0.987 290 E CA 1.291 57.684 56.400 -0.011 0.000 0.799 290 E CB -0.205 29.486 29.700 -0.015 0.000 0.752 290 E HN 0.355 8.715 8.360 -0.000 0.000 0.449 291 I N 1.378 121.937 120.570 -0.018 0.000 2.185 291 I HA -0.320 3.852 4.170 0.002 0.000 0.246 291 I C 2.205 178.315 176.117 -0.011 0.000 1.088 291 I CA 1.478 62.764 61.300 -0.023 0.000 1.347 291 I CB -0.383 37.598 38.000 -0.031 0.000 1.041 291 I HN 0.198 8.408 8.210 -0.000 0.000 0.415 292 E N 0.430 120.629 120.200 -0.002 0.000 2.110 292 E HA -0.258 4.094 4.350 0.002 0.000 0.193 292 E C 2.194 178.801 176.600 0.010 0.000 0.988 292 E CA 1.079 57.484 56.400 0.008 0.000 0.804 292 E CB -0.153 29.553 29.700 0.010 0.000 0.745 292 E HN 0.632 8.992 8.360 -0.000 0.000 0.458 293 Q N 0.496 120.299 119.800 0.006 0.000 2.083 293 Q HA -0.065 4.277 4.340 0.002 0.000 0.198 293 Q C 2.306 178.315 176.000 0.015 0.000 0.969 293 Q CA 0.870 56.678 55.803 0.008 0.000 0.838 293 Q CB -0.044 28.695 28.738 0.002 0.000 0.900 293 Q HN 0.310 8.580 8.270 -0.000 0.000 0.436 294 I N 0.577 121.153 120.570 0.010 0.000 2.335 294 I HA -0.286 3.885 4.170 0.002 0.000 0.251 294 I C 2.100 178.240 176.117 0.039 0.000 1.129 294 I CA 1.154 62.465 61.300 0.018 0.000 1.402 294 I CB -0.194 37.804 38.000 -0.003 0.000 1.069 294 I HN 0.245 8.455 8.210 -0.000 0.000 0.424 295 I N 0.455 121.040 120.570 0.025 0.000 2.235 295 I HA -0.199 3.972 4.170 0.002 0.000 0.241 295 I C 2.810 178.960 176.117 0.055 0.000 1.085 295 I CA 1.179 62.496 61.300 0.030 0.000 1.378 295 I CB -0.413 37.596 38.000 0.016 0.000 1.076 295 I HN 0.127 8.337 8.210 -0.000 0.000 0.415 296 A N 0.760 123.606 122.820 0.043 0.000 1.933 296 A HA -0.224 4.097 4.320 0.002 0.000 0.218 296 A C 2.440 180.050 177.584 0.043 0.000 1.175 296 A CA 2.249 54.311 52.037 0.040 0.000 0.628 296 A CB -0.818 18.196 19.000 0.024 0.000 0.814 296 A HN 0.539 8.689 8.150 -0.000 0.000 0.444 297 S N -1.295 114.430 115.700 0.042 0.000 2.453 297 S HA -0.184 4.287 4.470 0.002 0.000 0.231 297 S C 1.870 176.492 174.600 0.037 0.000 1.005 297 S CA 1.012 59.225 58.200 0.023 0.000 0.949 297 S CB -0.799 62.406 63.200 0.009 0.000 0.774 297 S HN 0.707 9.017 8.310 -0.000 0.000 0.510 298 H N 3.846 122.914 119.070 -0.005 0.000 2.319 298 H HA -0.107 4.451 4.556 0.002 0.000 0.297 298 H C 0.544 175.877 175.328 0.007 0.000 1.097 298 H CA 2.106 58.158 56.048 0.006 0.000 1.285 298 H CB -0.303 29.469 29.762 0.017 0.000 1.368 298 H HN 0.783 9.063 8.280 -0.000 0.000 0.495 299 N N -1.323 117.490 118.700 0.188 0.000 2.732 299 N HA 0.014 4.755 4.740 0.002 0.000 0.259 299 N C 0.097 175.572 175.510 -0.059 0.000 1.402 299 N CA -0.261 52.852 53.050 0.105 0.000 0.829 299 N CB 0.575 39.298 38.487 0.394 0.000 1.495 299 N HN 0.185 8.565 8.380 -0.000 0.000 0.511 300 E N -0.880 119.093 120.200 -0.377 0.000 2.511 300 E HA -0.026 4.326 4.350 0.002 0.000 0.196 300 E C -0.233 176.034 176.600 -0.554 0.000 1.066 300 E CA 0.190 56.252 56.400 -0.563 0.000 0.871 300 E CB -0.131 29.063 29.700 -0.843 0.000 0.863 300 E HN 0.648 9.008 8.360 -0.000 0.000 0.520 301 W N 1.084 122.415 121.300 0.052 0.000 2.780 301 W HA 0.230 4.891 4.660 0.002 0.000 0.272 301 W C 1.121 177.658 176.519 0.030 0.000 1.116 301 W CA -0.498 56.889 57.345 0.071 0.000 1.600 301 W CB -0.326 29.183 29.460 0.081 0.000 1.086 301 W HN -0.128 8.052 8.180 -0.000 0.000 0.584 302 V N 3.637 123.678 119.914 0.211 0.000 2.752 302 V HA -0.096 4.026 4.120 0.002 0.000 0.306 302 V C 0.105 176.253 176.094 0.090 0.000 1.099 302 V CA 0.950 63.318 62.300 0.114 0.000 1.240 302 V CB 0.261 32.127 31.823 0.072 0.000 0.887 302 V HN 0.067 8.257 8.190 -0.000 0.000 0.499 303 K N 5.520 125.970 120.400 0.083 0.000 2.463 303 K HA 0.543 4.865 4.320 0.002 0.000 0.255 303 K C -1.328 175.306 176.600 0.058 0.000 0.942 303 K CA -0.778 55.549 56.287 0.066 0.000 0.814 303 K CB 1.932 34.477 32.500 0.075 0.000 1.122 303 K HN 0.585 8.835 8.250 -0.000 0.000 0.425 304 V N 6.120 126.062 119.914 0.046 0.000 2.389 304 V HA 0.198 4.319 4.120 0.002 0.000 0.264 304 V C 0.186 176.305 176.094 0.042 0.000 1.049 304 V CA -0.608 61.719 62.300 0.045 0.000 0.932 304 V CB 0.645 32.489 31.823 0.035 0.000 1.011 304 V HN 0.623 8.813 8.190 -0.000 0.000 0.475 305 I N 8.489 129.088 120.570 0.049 0.000 2.312 305 I HA 0.321 4.492 4.170 0.002 0.000 0.291 305 I C -1.680 174.459 176.117 0.037 0.000 1.031 305 I CA -2.861 58.466 61.300 0.045 0.000 1.293 305 I CB 0.970 39.003 38.000 0.055 0.000 1.403 305 I HN 0.408 8.618 8.210 -0.000 0.000 0.484 306 P HA -0.050 4.370 4.420 -0.000 0.000 0.266 306 P C 0.026 177.338 177.300 0.020 0.000 1.193 306 P CA -0.136 62.977 63.100 0.022 0.000 0.770 306 P CB 0.657 32.366 31.700 0.016 0.000 0.836 307 N N 1.381 120.091 118.700 0.017 0.000 3.167 307 N HA -0.013 4.729 4.740 0.002 0.000 0.318 307 N C -0.605 174.908 175.510 0.004 0.000 1.268 307 N CA 0.088 53.145 53.050 0.012 0.000 1.197 307 N CB -0.874 37.620 38.487 0.013 0.000 1.464 307 N HN 0.381 8.761 8.380 -0.000 0.000 0.555 308 D N -0.819 119.583 120.400 0.004 0.000 2.340 308 D HA 0.226 4.868 4.640 0.002 0.000 0.240 308 D C 0.945 177.242 176.300 -0.006 0.000 1.001 308 D CA -0.739 53.260 54.000 -0.001 0.000 0.888 308 D CB 1.421 42.223 40.800 0.003 0.000 1.310 308 D HN 0.044 8.414 8.370 -0.000 0.000 0.474 309 K N 1.596 121.990 120.400 -0.010 0.000 1.967 309 K HA -0.176 4.145 4.320 0.002 0.000 0.212 309 K C 1.590 178.183 176.600 -0.012 0.000 1.044 309 K CA 1.381 57.659 56.287 -0.016 0.000 0.942 309 K CB -0.067 32.422 32.500 -0.017 0.000 0.726 309 K HN 0.612 8.862 8.250 -0.000 0.000 0.440 310 E N 0.116 120.312 120.200 -0.007 0.000 2.097 310 E HA -0.235 4.116 4.350 0.002 0.000 0.196 310 E C 1.983 178.584 176.600 0.001 0.000 1.000 310 E CA 1.526 57.924 56.400 -0.003 0.000 0.804 310 E CB -0.060 29.640 29.700 -0.001 0.000 0.740 310 E HN 0.304 8.664 8.360 -0.000 0.000 0.454 311 I N 0.620 121.192 120.570 0.003 0.000 2.202 311 I HA -0.224 3.947 4.170 0.002 0.000 0.242 311 I C 2.386 178.509 176.117 0.012 0.000 1.091 311 I CA 1.430 62.736 61.300 0.010 0.000 1.368 311 I CB -0.453 37.554 38.000 0.012 0.000 1.058 311 I HN 0.101 8.311 8.210 -0.000 0.000 0.410 312 T N 0.227 114.784 114.554 0.004 0.000 2.833 312 T HA -0.114 4.238 4.350 0.002 0.000 0.269 312 T C 1.722 176.420 174.700 -0.004 0.000 1.054 312 T CA 1.029 63.130 62.100 0.002 0.000 1.135 312 T CB -0.195 68.662 68.868 -0.019 0.000 0.869 312 T HN 0.074 8.314 8.240 -0.000 0.000 0.466 313 L N 0.373 121.590 121.223 -0.009 0.000 2.395 313 L HA 0.215 4.556 4.340 0.002 0.000 0.218 313 L C 2.331 179.204 176.870 0.004 0.000 1.130 313 L CA 1.272 56.106 54.840 -0.010 0.000 0.826 313 L CB -0.349 41.701 42.059 -0.014 0.000 0.941 313 L HN 0.077 8.307 8.230 -0.000 0.000 0.451 314 R N -1.344 119.162 120.500 0.011 0.000 2.254 314 R HA 0.053 4.395 4.340 0.002 0.000 0.193 314 R C 1.360 177.677 176.300 0.028 0.000 0.929 314 R CA 0.405 56.516 56.100 0.018 0.000 1.038 314 R CB 0.511 30.820 30.300 0.016 0.000 1.009 314 R HN 0.221 8.491 8.270 -0.000 0.000 0.512 315 E N -0.108 120.112 120.200 0.033 0.000 2.332 315 E HA 0.006 4.358 4.350 0.002 0.000 0.202 315 E C -0.006 176.631 176.600 0.061 0.000 0.877 315 E CA 0.084 56.512 56.400 0.045 0.000 0.979 315 E CB 0.348 30.075 29.700 0.044 0.000 0.969 315 E HN 0.047 8.407 8.360 -0.000 0.000 0.495 316 L N 2.776 124.039 121.223 0.066 0.000 2.719 316 L HA 0.209 4.551 4.340 0.002 0.000 0.236 316 L C -0.401 176.539 176.870 0.117 0.000 1.285 316 L CA 0.211 55.114 54.840 0.105 0.000 1.222 316 L CB -0.467 41.670 42.059 0.130 0.000 1.493 316 L HN 0.017 8.247 8.230 -0.000 0.000 0.415 317 T N -2.498 112.110 114.554 0.091 0.000 2.853 317 T HA 0.479 4.830 4.350 0.002 0.000 0.311 317 T C -2.445 172.299 174.700 0.074 0.000 1.307 317 T CA -1.419 60.730 62.100 0.083 0.000 1.019 317 T CB 1.752 70.648 68.868 0.048 0.000 1.264 317 T HN -0.153 8.087 8.240 -0.000 0.000 0.497 318 P HA -0.006 4.414 4.420 -0.000 0.000 0.215 318 P C 1.773 179.104 177.300 0.053 0.000 1.153 318 P CA 1.800 64.939 63.100 0.065 0.000 0.853 318 P CB -0.257 31.487 31.700 0.073 0.000 0.788 319 A N -0.429 122.420 122.820 0.047 0.000 1.948 319 A HA -0.270 4.052 4.320 0.002 0.000 0.220 319 A C 2.241 179.848 177.584 0.039 0.000 1.177 319 A CA 2.267 54.327 52.037 0.039 0.000 0.636 319 A CB -1.045 17.974 19.000 0.033 0.000 0.815 319 A HN 0.077 8.227 8.150 -0.000 0.000 0.449 320 K N -0.070 120.356 120.400 0.044 0.000 1.991 320 K HA -0.049 4.272 4.320 0.002 0.000 0.207 320 K C 1.804 178.436 176.600 0.053 0.000 1.045 320 K CA 1.921 58.236 56.287 0.047 0.000 0.937 320 K CB -0.777 31.753 32.500 0.050 0.000 0.720 320 K HN 0.487 8.737 8.250 -0.000 0.000 0.438 321 V N -0.006 119.944 119.914 0.060 0.000 3.461 321 V HA 0.119 4.241 4.120 0.002 0.000 0.267 321 V C 0.008 176.136 176.094 0.056 0.000 1.186 321 V CA 0.410 62.751 62.300 0.068 0.000 1.154 321 V CB -0.841 31.031 31.823 0.082 0.000 0.802 321 V HN 0.201 8.391 8.190 -0.000 0.000 0.474 322 T N 2.531 117.111 114.554 0.045 0.000 2.866 322 T HA 0.366 4.718 4.350 0.002 0.000 0.293 322 T C 1.283 175.999 174.700 0.025 0.000 1.005 322 T CA 1.365 63.484 62.100 0.031 0.000 1.162 322 T CB 0.006 68.892 68.868 0.030 0.000 0.968 322 T HN 1.425 9.665 8.240 -0.000 0.000 0.530 323 G N 3.085 111.893 108.800 0.013 0.000 2.155 323 G HA2 -0.261 3.701 3.960 0.002 0.000 0.257 323 G HA3 -0.261 3.701 3.960 0.002 0.000 0.257 323 G C 0.330 175.235 174.900 0.009 0.000 0.983 323 G CA 0.472 45.573 45.100 0.003 0.000 0.676 323 G HN 1.183 9.473 8.290 -0.000 0.000 0.528 324 T N -2.552 112.020 114.554 0.030 0.000 2.932 324 T HA 0.716 5.068 4.350 0.002 0.000 0.289 324 T C 1.146 175.892 174.700 0.077 0.000 1.039 324 T CA -0.618 61.515 62.100 0.056 0.000 1.024 324 T CB 1.932 70.849 68.868 0.081 0.000 1.090 324 T HN 0.237 8.477 8.240 -0.000 0.000 0.496 325 L N 1.263 122.558 121.223 0.119 0.000 2.591 325 L HA 0.213 4.555 4.340 0.002 0.000 0.228 325 L C 1.574 178.717 176.870 0.455 0.000 1.133 325 L CA -0.082 54.874 54.840 0.194 0.000 0.880 325 L CB 0.008 42.178 42.059 0.186 0.000 1.033 325 L HN 0.756 8.986 8.230 -0.000 0.000 0.450 326 S N 0.095 115.991 115.700 0.325 0.000 2.549 326 S HA 0.228 4.700 4.470 0.002 0.000 0.279 326 S C -0.024 174.728 174.600 0.254 0.000 1.321 326 S CA -0.414 57.968 58.200 0.304 0.000 1.054 326 S CB 0.933 64.249 63.200 0.193 0.000 0.899 326 S HN -0.018 8.292 8.310 -0.000 0.000 0.497 327 V N 8.500 128.553 119.914 0.231 0.000 2.260 327 V HA 0.352 4.473 4.120 0.002 0.000 0.263 327 V C -2.067 174.090 176.094 0.104 0.000 1.036 327 V CA -1.624 60.763 62.300 0.145 0.000 0.874 327 V CB 0.713 32.585 31.823 0.081 0.000 1.116 327 V HN 0.758 8.948 8.190 -0.000 0.000 0.454 328 P HA 0.194 4.614 4.420 -0.000 0.000 0.271 328 P C -0.667 176.673 177.300 0.067 0.000 1.218 328 P CA 0.232 63.380 63.100 0.080 0.000 0.780 328 P CB 2.509 34.258 31.700 0.082 0.000 0.901 329 V N 2.424 122.382 119.914 0.072 0.000 2.623 329 V HA 0.800 4.921 4.120 0.002 0.000 0.304 329 V C -0.211 175.937 176.094 0.091 0.000 1.054 329 V CA -0.069 62.279 62.300 0.079 0.000 0.882 329 V CB 1.612 33.483 31.823 0.080 0.000 1.002 329 V HN 0.885 9.075 8.190 -0.000 0.000 0.424 330 G N 4.279 113.152 108.800 0.121 0.000 2.870 330 G HA2 0.612 4.574 3.960 0.002 0.000 0.299 330 G HA3 0.612 4.574 3.960 0.002 0.000 0.299 330 G C -0.486 174.487 174.900 0.123 0.000 1.324 330 G CA -0.614 44.551 45.100 0.108 0.000 0.808 330 G HN 0.824 9.114 8.290 -0.000 0.000 0.535 331 R N -1.443 119.105 120.500 0.080 0.000 3.641 331 R HA -0.138 4.203 4.340 0.002 0.000 0.286 331 R C 0.018 176.360 176.300 0.070 0.000 1.153 331 R CA 0.329 56.465 56.100 0.060 0.000 0.775 331 R CB -2.679 27.657 30.300 0.059 0.000 1.215 331 R HN 0.462 8.732 8.270 -0.000 0.000 0.474 332 L N 1.618 122.879 121.223 0.064 0.000 2.410 332 L HA 0.333 4.675 4.340 0.002 0.000 0.273 332 L C 1.250 178.144 176.870 0.040 0.000 1.152 332 L CA 0.357 55.231 54.840 0.056 0.000 0.855 332 L CB 0.500 42.587 42.059 0.046 0.000 1.129 332 L HN 0.309 8.539 8.230 -0.000 0.000 0.463 333 R N 1.500 122.023 120.500 0.039 0.000 2.829 333 R HA 0.379 4.721 4.340 0.002 0.000 0.283 333 R C -1.706 174.615 176.300 0.036 0.000 1.013 333 R CA -1.198 54.921 56.100 0.031 0.000 0.848 333 R CB 0.759 31.076 30.300 0.028 0.000 1.291 333 R HN 0.107 8.377 8.270 -0.000 0.000 0.496 334 K N 1.490 121.910 120.400 0.032 0.000 2.218 334 K HA 0.368 4.690 4.320 0.002 0.000 0.276 334 K C -0.256 176.376 176.600 0.053 0.000 1.022 334 K CA -0.411 55.902 56.287 0.045 0.000 0.946 334 K CB 0.743 33.265 32.500 0.037 0.000 1.000 334 K HN 0.460 8.710 8.250 -0.000 0.000 0.468 335 L N 2.073 123.344 121.223 0.081 0.000 2.289 335 L HA 0.172 4.513 4.340 0.002 0.000 0.285 335 L C 1.570 178.442 176.870 0.004 0.000 1.049 335 L CA -0.403 54.470 54.840 0.056 0.000 0.804 335 L CB 1.444 43.558 42.059 0.091 0.000 1.195 335 L HN 0.758 8.988 8.230 -0.000 0.000 0.428 336 A N 3.305 126.111 122.820 -0.022 0.000 2.082 336 A HA -0.286 4.036 4.320 0.002 0.000 0.224 336 A C 1.893 179.412 177.584 -0.108 0.000 1.179 336 A CA 2.086 54.095 52.037 -0.047 0.000 0.670 336 A CB -0.537 18.439 19.000 -0.040 0.000 0.817 336 A HN 0.827 8.977 8.150 -0.000 0.000 0.475 337 M N -1.350 118.104 119.600 -0.243 0.000 2.706 337 M HA 0.214 4.696 4.480 0.002 0.000 0.251 337 M C 1.021 177.135 176.300 -0.311 0.000 1.070 337 M CA 1.147 56.159 55.300 -0.479 0.000 1.073 337 M CB -0.628 31.268 32.600 -1.174 0.000 1.449 337 M HN 0.726 9.016 8.290 -0.000 0.000 0.531 338 G N -1.252 107.518 108.800 -0.051 0.000 2.347 338 G HA2 0.038 4.000 3.960 0.002 0.000 0.477 338 G HA3 0.038 4.000 3.960 0.002 0.000 0.477 338 G C -2.665 172.350 174.900 0.192 0.000 1.349 338 G CA -0.723 44.451 45.100 0.123 0.000 1.000 338 G HN -0.066 8.224 8.290 -0.000 0.000 0.605 339 P HA 0.020 4.440 4.420 -0.000 0.000 0.226 339 P C 0.821 178.151 177.300 0.048 0.000 1.153 339 P CA 1.145 64.290 63.100 0.074 0.000 0.777 339 P CB 0.286 32.009 31.700 0.039 0.000 0.794 340 E N -1.305 118.929 120.200 0.057 0.000 2.489 340 E HA 0.004 4.356 4.350 0.002 0.000 0.193 340 E C -0.284 176.139 176.600 -0.295 0.000 1.057 340 E CA 0.005 56.325 56.400 -0.134 0.000 0.866 340 E CB -0.116 29.455 29.700 -0.215 0.000 0.916 340 E HN 0.433 8.793 8.360 -0.000 0.000 0.500 341 Y N 0.773 121.017 120.300 -0.093 0.000 2.331 341 Y HA 0.292 4.844 4.550 0.003 0.000 0.338 341 Y C -0.151 175.699 175.900 -0.083 0.000 0.976 341 Y CA -0.996 57.038 58.100 -0.110 0.000 1.137 341 Y CB 1.036 39.469 38.460 -0.046 0.000 1.172 341 Y HN -0.044 8.236 8.280 -0.000 0.000 0.478 342 L N 3.562 124.780 121.223 -0.008 0.000 2.329 342 L HA 0.896 5.237 4.340 0.002 0.000 0.279 342 L C -0.632 176.271 176.870 0.055 0.000 1.014 342 L CA -0.693 54.150 54.840 0.003 0.000 0.814 342 L CB 1.347 43.370 42.059 -0.061 0.000 1.257 342 L HN 0.632 8.862 8.230 -0.000 0.000 0.424 343 A N 4.129 126.997 122.820 0.080 0.000 2.317 343 A HA 0.962 5.283 4.320 0.002 0.000 0.327 343 A C -0.737 176.927 177.584 0.134 0.000 1.178 343 A CA 0.100 52.208 52.037 0.118 0.000 0.817 343 A CB 0.955 20.015 19.000 0.099 0.000 1.189 343 A HN 1.283 9.433 8.150 -0.000 0.000 0.489 344 A N 1.353 124.290 122.820 0.195 0.000 2.547 344 A HA 0.731 5.052 4.320 0.002 0.000 0.297 344 A C -1.594 176.112 177.584 0.204 0.000 1.056 344 A CA -0.342 51.823 52.037 0.213 0.000 0.688 344 A CB 0.987 20.143 19.000 0.260 0.000 1.282 344 A HN 1.460 9.610 8.150 -0.000 0.000 0.400 345 F N 1.015 120.964 119.950 -0.002 0.000 2.547 345 F HA 0.756 5.284 4.527 0.003 0.000 0.316 345 F C -0.004 175.753 175.800 -0.071 0.000 1.121 345 F CA 0.116 58.051 58.000 -0.108 0.000 0.911 345 F CB 2.353 41.290 39.000 -0.106 0.000 1.179 345 F HN 0.696 8.996 8.300 -0.000 0.000 0.443 346 T N 4.482 118.592 114.554 -0.740 0.000 2.901 346 T HA 0.805 5.156 4.350 0.002 0.000 0.293 346 T C -1.927 172.518 174.700 -0.426 0.000 1.084 346 T CA -0.494 61.393 62.100 -0.355 0.000 1.008 346 T CB 1.517 70.324 68.868 -0.103 0.000 1.170 346 T HN 0.403 8.643 8.240 -0.000 0.000 0.509 347 V N 1.733 121.565 119.914 -0.136 0.000 2.686 347 V HA 0.885 5.007 4.120 0.002 0.000 0.306 347 V C 0.346 176.453 176.094 0.022 0.000 1.065 347 V CA -0.519 61.748 62.300 -0.055 0.000 0.894 347 V CB 1.694 33.534 31.823 0.028 0.000 1.004 347 V HN 1.163 9.353 8.190 -0.000 0.000 0.424 348 G N 1.486 110.313 108.800 0.044 0.000 2.733 348 G HA2 0.465 4.427 3.960 0.002 0.000 0.297 348 G HA3 0.465 4.427 3.960 0.002 0.000 0.297 348 G C -1.685 173.250 174.900 0.058 0.000 1.422 348 G CA -0.485 44.664 45.100 0.082 0.000 0.942 348 G HN 0.607 8.897 8.290 -0.000 0.000 0.510 349 D N 0.862 121.302 120.400 0.067 0.000 2.343 349 D HA 0.015 4.656 4.640 0.002 0.000 0.255 349 D C 1.057 177.335 176.300 -0.037 0.000 1.187 349 D CA -0.244 53.758 54.000 0.004 0.000 0.875 349 D CB 1.465 42.270 40.800 0.008 0.000 1.136 349 D HN 0.411 8.781 8.370 -0.000 0.000 0.469 350 Q N 4.039 123.747 119.800 -0.153 0.000 2.119 350 Q HA -0.125 4.217 4.340 0.002 0.000 0.201 350 Q C 1.781 177.721 176.000 -0.101 0.000 0.972 350 Q CA 0.992 56.660 55.803 -0.224 0.000 0.847 350 Q CB 0.108 28.521 28.738 -0.542 0.000 0.903 350 Q HN 0.689 8.959 8.270 -0.000 0.000 0.433 351 L N 0.055 121.228 121.223 -0.084 0.000 2.395 351 L HA -0.050 4.291 4.340 0.002 0.000 0.218 351 L C 1.974 178.796 176.870 -0.079 0.000 1.130 351 L CA 0.188 54.991 54.840 -0.061 0.000 0.826 351 L CB -0.012 42.018 42.059 -0.050 0.000 0.941 351 L HN 0.176 8.406 8.230 -0.000 0.000 0.451 352 L N -2.195 118.968 121.223 -0.100 0.000 2.814 352 L HA 0.024 4.366 4.340 0.002 0.000 0.182 352 L C 1.938 178.679 176.870 -0.215 0.000 1.386 352 L CA 0.518 55.233 54.840 -0.209 0.000 1.190 352 L CB -0.614 41.285 42.059 -0.266 0.000 1.399 352 L HN 0.105 8.335 8.230 -0.000 0.000 0.685 353 W N 0.400 121.632 121.300 -0.113 0.000 2.421 353 W HA -0.087 4.574 4.660 0.003 0.000 0.270 353 W C 2.001 178.470 176.519 -0.083 0.000 1.233 353 W CA 0.712 57.977 57.345 -0.133 0.000 1.226 353 W CB -0.207 29.164 29.460 -0.148 0.000 1.121 353 W HN 0.316 8.496 8.180 -0.000 0.000 0.579 354 G N -1.247 107.633 108.800 0.133 0.000 3.042 354 G HA2 0.315 4.276 3.960 0.002 0.000 0.212 354 G HA3 0.315 4.276 3.960 0.002 0.000 0.212 354 G C 0.802 175.733 174.900 0.052 0.000 1.166 354 G CA 0.712 45.865 45.100 0.088 0.000 0.767 354 G HN 0.245 8.535 8.290 -0.000 0.000 0.546 355 A N -0.406 122.426 122.820 0.019 0.000 1.674 355 A HA 0.679 5.000 4.320 0.002 0.000 0.144 355 A C 2.092 179.664 177.584 -0.019 0.000 1.502 355 A CA 1.244 53.285 52.037 0.007 0.000 1.644 355 A CB -0.945 18.055 19.000 -0.000 0.000 1.505 355 A HN 0.612 8.762 8.150 -0.000 0.000 1.092 356 A N -0.213 122.572 122.820 -0.059 0.000 1.898 356 A HA -0.004 4.317 4.320 0.002 0.000 0.216 356 A C 1.784 179.278 177.584 -0.150 0.000 1.181 356 A CA 1.943 53.930 52.037 -0.082 0.000 0.620 356 A CB -0.510 18.440 19.000 -0.084 0.000 0.819 356 A HN 0.429 8.579 8.150 -0.000 0.000 0.442 357 E N -0.207 119.827 120.200 -0.276 0.000 2.038 357 E HA -0.146 4.205 4.350 0.002 0.000 0.195 357 E C -0.097 176.340 176.600 -0.272 0.000 1.000 357 E CA 1.848 57.970 56.400 -0.463 0.000 0.803 357 E CB -1.748 27.288 29.700 -1.106 0.000 0.750 357 E HN 0.408 8.768 8.360 -0.000 0.000 0.448 358 P HA -0.124 4.296 4.420 -0.000 0.000 0.216 358 P C 1.760 179.061 177.300 0.001 0.000 1.153 358 P CA 1.031 64.162 63.100 0.051 0.000 0.858 358 P CB 0.033 31.802 31.700 0.116 0.000 0.789 359 V N 0.053 119.956 119.914 -0.018 0.000 2.307 359 V HA -0.222 3.900 4.120 0.002 0.000 0.245 359 V C 2.660 178.726 176.094 -0.048 0.000 1.045 359 V CA 1.712 64.002 62.300 -0.016 0.000 1.024 359 V CB -0.998 30.823 31.823 -0.003 0.000 0.651 359 V HN 0.093 8.283 8.190 -0.000 0.000 0.449 360 R N 0.233 120.687 120.500 -0.077 0.000 2.120 360 R HA -0.143 4.198 4.340 0.002 0.000 0.234 360 R C 2.409 178.647 176.300 -0.104 0.000 1.123 360 R CA 1.473 57.515 56.100 -0.097 0.000 0.975 360 R CB -0.178 30.038 30.300 -0.139 0.000 0.866 360 R HN 0.463 8.733 8.270 -0.000 0.000 0.446 361 R N -0.029 120.414 120.500 -0.097 0.000 2.090 361 R HA -0.089 4.253 4.340 0.002 0.000 0.228 361 R C 2.236 178.488 176.300 -0.080 0.000 1.110 361 R CA 1.015 57.075 56.100 -0.066 0.000 0.973 361 R CB -0.394 29.898 30.300 -0.014 0.000 0.869 361 R HN 0.182 8.452 8.270 -0.000 0.000 0.440 362 I N 1.114 121.627 120.570 -0.094 0.000 2.617 362 I HA -0.150 4.022 4.170 0.002 0.000 0.256 362 I C 1.865 177.851 176.117 -0.218 0.000 1.167 362 I CA 0.733 61.926 61.300 -0.178 0.000 1.469 362 I CB -0.099 37.791 38.000 -0.184 0.000 1.098 362 I HN 0.027 8.237 8.210 -0.000 0.000 0.436 363 L N 0.693 121.823 121.223 -0.155 0.000 2.056 363 L HA -0.128 4.213 4.340 0.002 0.000 0.207 363 L C 2.400 179.180 176.870 -0.151 0.000 1.078 363 L CA 1.948 56.695 54.840 -0.155 0.000 0.749 363 L CB -1.098 40.901 42.059 -0.099 0.000 0.901 363 L HN 0.159 8.389 8.230 -0.000 0.000 0.433 364 K N -0.295 120.030 120.400 -0.125 0.000 2.063 364 K HA -0.205 4.116 4.320 0.002 0.000 0.208 364 K C 2.114 178.643 176.600 -0.119 0.000 1.048 364 K CA 1.908 58.130 56.287 -0.108 0.000 0.928 364 K CB -0.303 32.147 32.500 -0.083 0.000 0.713 364 K HN 0.567 8.817 8.250 -0.000 0.000 0.442 365 Q N -0.192 119.521 119.800 -0.144 0.000 2.079 365 Q HA -0.086 4.256 4.340 0.002 0.000 0.200 365 Q C 2.134 178.004 176.000 -0.218 0.000 0.974 365 Q CA 1.589 57.294 55.803 -0.164 0.000 0.840 365 Q CB -0.124 28.503 28.738 -0.185 0.000 0.898 365 Q HN 0.325 8.595 8.270 -0.000 0.000 0.430 366 L N 0.436 121.481 121.223 -0.296 0.000 2.191 366 L HA -0.112 4.230 4.340 0.002 0.000 0.212 366 L C 2.033 178.746 176.870 -0.262 0.000 1.103 366 L CA 0.675 55.282 54.840 -0.388 0.000 0.769 366 L CB -0.235 41.523 42.059 -0.502 0.000 0.908 366 L HN 0.193 8.423 8.230 -0.000 0.000 0.438 367 V N -4.160 115.649 119.914 -0.174 0.000 3.444 367 V HA 0.454 4.576 4.120 0.002 0.000 0.308 367 V C 1.036 177.082 176.094 -0.081 0.000 1.371 367 V CA -0.160 62.074 62.300 -0.109 0.000 1.141 367 V CB -0.691 31.086 31.823 -0.076 0.000 1.037 367 V HN 0.145 8.335 8.190 -0.000 0.000 0.433 368 A N 0.000 122.765 122.820 -0.092 0.000 2.254 368 A HA 0.000 4.321 4.320 0.002 0.000 0.244 368 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 368 A CB 0.000 18.960 19.000 -0.067 0.000 0.831 368 A HN 0.000 8.150 8.150 -0.000 0.000 0.486