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 2owf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVLYFIGLGL YDERDITVKG LEIAKKCDYV FAEFYTSLMA GTTLGRIQKL DATA SEQUENCE IGKEIRVLSR EDVELNFENI VLPLAKENDV AFLTPGDPLV ATTHAELRIR DATA SEQUENCE AKRAGVESYV IHAPSIYSAV GITGLHIYKF GKSATVAYPE GNMFPTSYYD DATA SEQUENCE VIKENAERGL HTLLFLDIKA EKRMYMTANE AMELLLKVED MKKGGVFTDD DATA SEQUENCE TLVVVLARAG SLNPTIRAGY VKDLIREDFG DPPHILIVPG KLHIVEAEYL DATA SEQUENCE VEIAGAPREI LRVNV 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.621 32.600 0.034 0.000 1.302 2 V N 2.175 122.094 119.914 0.009 0.000 2.709 2 V HA 0.626 4.745 4.120 -0.002 0.000 0.308 2 V C -1.197 174.825 176.094 -0.119 0.000 1.062 2 V CA -0.764 61.500 62.300 -0.059 0.000 0.901 2 V CB 2.001 33.779 31.823 -0.076 0.000 1.003 2 V HN 0.235 8.425 8.190 -0.000 0.000 0.425 3 L N 4.974 126.091 121.223 -0.177 0.000 2.356 3 L HA 0.680 5.019 4.340 -0.002 0.000 0.277 3 L C -1.545 175.232 176.870 -0.155 0.000 0.996 3 L CA -0.176 54.587 54.840 -0.128 0.000 0.822 3 L CB 1.441 43.441 42.059 -0.098 0.000 1.256 3 L HN 0.558 8.788 8.230 -0.000 0.000 0.413 4 Y N 4.937 125.305 120.300 0.114 0.000 2.331 4 Y HA 0.501 5.050 4.550 -0.001 0.000 0.338 4 Y C -0.694 175.262 175.900 0.094 0.000 0.976 4 Y CA -0.253 57.955 58.100 0.180 0.000 1.137 4 Y CB 1.225 39.775 38.460 0.149 0.000 1.172 4 Y HN 0.412 8.692 8.280 -0.000 0.000 0.478 5 F N 4.739 124.830 119.950 0.234 0.000 2.390 5 F HA 0.447 4.973 4.527 -0.002 0.000 0.361 5 F C -0.060 175.770 175.800 0.051 0.000 1.124 5 F CA -0.614 57.465 58.000 0.130 0.000 1.149 5 F CB 0.352 39.381 39.000 0.048 0.000 1.160 5 F HN 0.227 8.527 8.300 -0.000 0.000 0.501 6 I N 2.990 123.632 120.570 0.120 0.000 2.389 6 I HA 0.413 4.582 4.170 -0.002 0.000 0.288 6 I C 0.575 176.679 176.117 -0.022 0.000 0.999 6 I CA -0.806 60.522 61.300 0.047 0.000 1.129 6 I CB 1.641 39.660 38.000 0.031 0.000 1.288 6 I HN 0.630 8.840 8.210 -0.000 0.000 0.444 7 G N 5.456 114.257 108.800 0.001 0.000 2.432 7 G HA2 0.417 4.376 3.960 -0.002 0.000 0.257 7 G HA3 0.417 4.376 3.960 -0.002 0.000 0.257 7 G C 0.529 175.436 174.900 0.011 0.000 1.238 7 G CA -0.385 44.717 45.100 0.003 0.000 0.838 7 G HN 0.686 8.976 8.290 -0.000 0.000 0.547 8 L N 1.619 122.848 121.223 0.010 0.000 2.513 8 L HA 0.313 4.652 4.340 -0.002 0.000 0.222 8 L C 1.572 178.475 176.870 0.055 0.000 1.096 8 L CA 0.919 55.781 54.840 0.035 0.000 0.857 8 L CB -0.374 41.720 42.059 0.057 0.000 1.026 8 L HN 0.958 9.188 8.230 -0.000 0.000 0.469 9 G N -0.531 108.306 108.800 0.061 0.000 2.447 9 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.220 9 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.220 9 G C -0.115 174.837 174.900 0.087 0.000 1.261 9 G CA -0.367 44.778 45.100 0.075 0.000 1.000 9 G HN -0.049 8.241 8.290 -0.000 0.000 0.515 10 L N -1.639 119.648 121.223 0.106 0.000 2.467 10 L HA 0.331 4.670 4.340 -0.002 0.000 0.213 10 L C 2.092 179.067 176.870 0.175 0.000 1.053 10 L CA 0.882 55.795 54.840 0.123 0.000 0.847 10 L CB 0.093 42.218 42.059 0.111 0.000 1.075 10 L HN 0.565 8.795 8.230 -0.000 0.000 0.479 11 Y N 0.638 120.947 120.300 0.016 0.000 2.624 11 Y HA 0.108 4.656 4.550 -0.002 0.000 0.260 11 Y C 0.374 176.275 175.900 0.001 0.000 1.090 11 Y CA -0.010 58.093 58.100 0.004 0.000 1.347 11 Y CB 0.368 38.830 38.460 0.003 0.000 1.349 11 Y HN 0.252 8.532 8.280 -0.000 0.000 0.502 12 D N -1.246 119.177 120.400 0.038 0.000 2.687 12 D HA 0.126 4.765 4.640 -0.002 0.000 0.264 12 D C 0.592 176.895 176.300 0.004 0.000 1.091 12 D CA -0.186 53.773 54.000 -0.068 0.000 1.123 12 D CB 0.037 40.827 40.800 -0.017 0.000 1.407 12 D HN 0.164 8.534 8.370 -0.000 0.000 0.591 13 E N 0.130 120.324 120.200 -0.011 0.000 2.409 13 E HA -0.179 4.170 4.350 -0.002 0.000 0.198 13 E C 1.031 177.646 176.600 0.025 0.000 1.024 13 E CA 0.711 57.117 56.400 0.009 0.000 0.861 13 E CB -0.199 29.499 29.700 -0.004 0.000 0.788 13 E HN 0.464 8.824 8.360 -0.000 0.000 0.521 14 R N 0.473 120.993 120.500 0.034 0.000 2.310 14 R HA 0.063 4.402 4.340 -0.002 0.000 0.202 14 R C 0.736 177.064 176.300 0.046 0.000 0.933 14 R CA 0.512 56.635 56.100 0.037 0.000 1.054 14 R CB 0.273 30.597 30.300 0.039 0.000 0.985 14 R HN 0.069 8.339 8.270 -0.000 0.000 0.489 15 D N 0.552 120.986 120.400 0.057 0.000 2.349 15 D HA -0.012 4.627 4.640 -0.002 0.000 0.224 15 D C 0.615 176.947 176.300 0.053 0.000 1.029 15 D CA 0.291 54.330 54.000 0.063 0.000 0.879 15 D CB 0.246 41.097 40.800 0.085 0.000 0.906 15 D HN 0.258 8.628 8.370 -0.000 0.000 0.528 16 I N 1.587 122.183 120.570 0.043 0.000 2.779 16 I HA -0.012 4.157 4.170 -0.002 0.000 0.285 16 I C 0.720 176.856 176.117 0.031 0.000 1.134 16 I CA -0.225 61.097 61.300 0.035 0.000 1.398 16 I CB 0.867 38.882 38.000 0.026 0.000 1.404 16 I HN -0.064 8.146 8.210 -0.000 0.000 0.587 17 T N 3.094 117.667 114.554 0.030 0.000 2.849 17 T HA 0.185 4.534 4.350 -0.002 0.000 0.284 17 T C 1.181 175.888 174.700 0.012 0.000 1.004 17 T CA -0.803 61.314 62.100 0.027 0.000 1.021 17 T CB 1.542 70.432 68.868 0.037 0.000 1.013 17 T HN 0.433 8.673 8.240 -0.000 0.000 0.527 18 V N 1.362 121.281 119.914 0.009 0.000 2.392 18 V HA -0.135 3.984 4.120 -0.002 0.000 0.249 18 V C 2.843 178.929 176.094 -0.014 0.000 1.059 18 V CA 2.045 64.344 62.300 -0.002 0.000 1.051 18 V CB -0.905 30.917 31.823 -0.001 0.000 0.658 18 V HN 0.989 9.179 8.190 -0.000 0.000 0.455 19 K N 0.174 120.567 120.400 -0.011 0.000 2.057 19 K HA -0.144 4.175 4.320 -0.002 0.000 0.207 19 K C 2.193 178.764 176.600 -0.050 0.000 1.049 19 K CA 1.578 57.848 56.287 -0.028 0.000 0.931 19 K CB -0.550 31.946 32.500 -0.008 0.000 0.714 19 K HN 0.506 8.756 8.250 -0.000 0.000 0.440 20 G N 1.627 110.411 108.800 -0.026 0.000 2.421 20 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.216 20 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.216 20 G C 1.403 176.274 174.900 -0.048 0.000 1.171 20 G CA 0.750 45.829 45.100 -0.034 0.000 0.775 20 G HN 0.285 8.575 8.290 -0.000 0.000 0.543 21 L N 0.633 121.837 121.223 -0.032 0.000 1.994 21 L HA 0.025 4.364 4.340 -0.002 0.000 0.208 21 L C 2.654 179.494 176.870 -0.051 0.000 1.071 21 L CA 2.220 57.042 54.840 -0.031 0.000 0.745 21 L CB -0.765 41.283 42.059 -0.018 0.000 0.892 21 L HN 0.356 8.586 8.230 -0.000 0.000 0.431 22 E N -0.544 119.622 120.200 -0.057 0.000 2.085 22 E HA -0.239 4.110 4.350 -0.002 0.000 0.194 22 E C 2.262 178.797 176.600 -0.108 0.000 0.994 22 E CA 1.731 58.090 56.400 -0.070 0.000 0.801 22 E CB -0.194 29.469 29.700 -0.062 0.000 0.743 22 E HN 0.571 8.931 8.360 -0.000 0.000 0.453 23 I N 0.629 121.103 120.570 -0.160 0.000 2.286 23 I HA -0.224 3.945 4.170 -0.002 0.000 0.245 23 I C 2.487 178.480 176.117 -0.208 0.000 1.104 23 I CA 0.716 61.849 61.300 -0.279 0.000 1.397 23 I CB -0.245 37.463 38.000 -0.486 0.000 1.072 23 I HN 0.091 8.301 8.210 -0.000 0.000 0.417 24 A N 0.915 123.659 122.820 -0.127 0.000 1.902 24 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 24 A C 2.275 179.828 177.584 -0.052 0.000 1.181 24 A CA 1.606 53.606 52.037 -0.063 0.000 0.623 24 A CB -0.444 18.536 19.000 -0.033 0.000 0.818 24 A HN 0.313 8.463 8.150 -0.000 0.000 0.443 25 K N -0.386 119.979 120.400 -0.058 0.000 2.209 25 K HA -0.076 4.243 4.320 -0.002 0.000 0.204 25 K C 1.607 178.174 176.600 -0.054 0.000 1.048 25 K CA 1.302 57.559 56.287 -0.051 0.000 0.940 25 K CB -0.075 32.397 32.500 -0.045 0.000 0.729 25 K HN 0.400 8.650 8.250 -0.000 0.000 0.451 26 K N -0.061 120.301 120.400 -0.064 0.000 2.426 26 K HA 0.081 4.400 4.320 -0.002 0.000 0.193 26 K C 0.228 176.811 176.600 -0.028 0.000 1.028 26 K CA -0.082 56.175 56.287 -0.051 0.000 1.047 26 K CB 0.329 32.792 32.500 -0.060 0.000 0.821 26 K HN 0.064 8.314 8.250 -0.000 0.000 0.513 27 C N 2.104 121.392 119.300 -0.019 0.000 2.536 27 C HA 0.091 4.550 4.460 -0.002 0.000 0.396 27 C C 1.689 176.656 174.990 -0.037 0.000 1.279 27 C CA -0.786 58.251 59.018 0.032 0.000 2.148 27 C CB 0.487 28.284 27.740 0.094 0.000 2.584 27 C HN 0.493 8.723 8.230 -0.000 0.000 0.579 28 D N 0.301 120.669 120.400 -0.053 0.000 2.144 28 D HA -0.063 4.576 4.640 -0.002 0.000 0.200 28 D C -0.284 175.676 176.300 -0.566 0.000 0.978 28 D CA 1.829 55.654 54.000 -0.292 0.000 0.833 28 D CB 0.163 40.814 40.800 -0.248 0.000 0.961 28 D HN 0.643 9.013 8.370 -0.000 0.000 0.470 29 Y N -0.691 119.612 120.300 0.006 0.000 2.477 29 Y HA 0.405 4.954 4.550 -0.001 0.000 0.347 29 Y C -0.314 175.539 175.900 -0.078 0.000 0.981 29 Y CA -0.953 57.099 58.100 -0.079 0.000 1.033 29 Y CB 2.357 40.793 38.460 -0.040 0.000 1.245 29 Y HN -0.409 7.871 8.280 -0.000 0.000 0.455 30 V N 4.248 124.107 119.914 -0.091 0.000 2.483 30 V HA 0.467 4.586 4.120 -0.002 0.000 0.297 30 V C -0.897 175.080 176.094 -0.196 0.000 1.027 30 V CA -0.973 61.303 62.300 -0.040 0.000 0.855 30 V CB 0.848 32.661 31.823 -0.017 0.000 0.995 30 V HN 0.537 8.727 8.190 -0.000 0.000 0.424 31 F N 2.264 122.301 119.950 0.145 0.000 2.557 31 F HA 0.962 5.488 4.527 -0.001 0.000 0.336 31 F C 0.509 176.412 175.800 0.172 0.000 1.058 31 F CA -0.469 57.642 58.000 0.185 0.000 0.988 31 F CB 2.014 41.142 39.000 0.214 0.000 1.275 31 F HN 0.642 8.942 8.300 -0.000 0.000 0.488 32 A N 0.838 123.860 122.820 0.335 0.000 2.586 32 A HA 0.715 5.034 4.320 -0.002 0.000 0.290 32 A C -1.874 175.626 177.584 -0.141 0.000 1.086 32 A CA -0.846 51.091 52.037 -0.168 0.000 0.665 32 A CB 1.753 20.499 19.000 -0.424 0.000 1.279 32 A HN 0.755 8.905 8.150 -0.000 0.000 0.423 33 E N -0.792 119.074 120.200 -0.556 0.000 2.308 33 E HA 0.733 5.082 4.350 -0.002 0.000 0.275 33 E C -1.529 174.677 176.600 -0.658 0.000 0.890 33 E CA -0.501 55.719 56.400 -0.299 0.000 0.754 33 E CB 1.103 30.774 29.700 -0.049 0.000 1.207 33 E HN 0.354 8.714 8.360 -0.000 0.000 0.426 34 F N 1.413 121.369 119.950 0.009 0.000 2.772 34 F HA 0.202 4.728 4.527 -0.002 0.000 0.316 34 F C 0.539 176.363 175.800 0.039 0.000 1.114 34 F CA -0.625 57.370 58.000 -0.007 0.000 1.191 34 F CB 0.133 39.161 39.000 0.047 0.000 1.065 34 F HN 0.614 8.914 8.300 -0.000 0.000 0.534 35 Y N -1.338 119.095 120.300 0.221 0.000 2.490 35 Y HA 0.064 4.613 4.550 -0.002 0.000 0.285 35 Y C 2.162 178.148 175.900 0.142 0.000 1.117 35 Y CA 0.859 59.066 58.100 0.179 0.000 1.262 35 Y CB -1.614 36.933 38.460 0.146 0.000 1.043 35 Y HN 0.051 8.331 8.280 -0.000 0.000 0.553 36 T N -2.563 111.845 114.554 -0.244 0.000 2.995 36 T HA 0.088 4.437 4.350 -0.002 0.000 0.269 36 T C 0.721 175.437 174.700 0.027 0.000 1.091 36 T CA 0.700 62.749 62.100 -0.084 0.000 1.128 36 T CB -0.328 68.397 68.868 -0.238 0.000 0.891 36 T HN 0.274 8.514 8.240 -0.000 0.000 0.492 37 S N -0.487 115.247 115.700 0.058 0.000 2.543 37 S HA 0.543 5.012 4.470 -0.002 0.000 0.274 37 S C -1.829 172.830 174.600 0.099 0.000 1.149 37 S CA -1.050 57.203 58.200 0.089 0.000 0.866 37 S CB 1.412 64.650 63.200 0.064 0.000 1.111 37 S HN 0.415 8.725 8.310 -0.000 0.000 0.457 38 L N 4.444 125.701 121.223 0.057 0.000 2.290 38 L HA 0.629 4.968 4.340 -0.002 0.000 0.284 38 L C -0.543 176.298 176.870 -0.050 0.000 1.078 38 L CA 0.357 55.168 54.840 -0.049 0.000 0.815 38 L CB 0.563 42.430 42.059 -0.319 0.000 1.162 38 L HN 0.781 9.011 8.230 -0.000 0.000 0.435 39 M N 5.835 125.398 119.600 -0.062 0.000 2.103 39 M HA 0.313 4.792 4.480 -0.002 0.000 0.350 39 M C 1.054 177.220 176.300 -0.224 0.000 1.100 39 M CA -0.372 54.872 55.300 -0.094 0.000 1.042 39 M CB 1.449 34.017 32.600 -0.054 0.000 1.368 39 M HN 0.864 9.154 8.290 -0.000 0.000 0.404 40 A N 2.079 124.747 122.820 -0.253 0.000 2.121 40 A HA 0.074 4.393 4.320 -0.002 0.000 0.218 40 A C 1.660 178.908 177.584 -0.560 0.000 1.154 40 A CA 1.594 53.449 52.037 -0.304 0.000 0.679 40 A CB -0.368 18.596 19.000 -0.060 0.000 0.795 40 A HN 0.916 9.066 8.150 -0.000 0.000 0.458 41 G N -2.152 105.985 108.800 -1.105 0.000 3.502 41 G HA2 0.421 4.380 3.960 -0.002 0.000 0.267 41 G HA3 0.421 4.380 3.960 -0.002 0.000 0.267 41 G C 0.186 174.809 174.900 -0.462 0.000 1.090 41 G CA 0.808 45.299 45.100 -1.015 0.000 0.795 41 G HN 0.403 8.693 8.290 -0.000 0.000 0.535 42 T N -0.594 113.753 114.554 -0.345 0.000 2.787 42 T HA 0.657 5.006 4.350 -0.002 0.000 0.297 42 T C -0.699 173.873 174.700 -0.213 0.000 1.221 42 T CA 0.287 62.255 62.100 -0.219 0.000 1.006 42 T CB 1.745 70.509 68.868 -0.172 0.000 1.328 42 T HN 0.316 8.556 8.240 -0.000 0.000 0.509 43 T N -0.119 114.321 114.554 -0.191 0.000 2.838 43 T HA 0.515 4.864 4.350 -0.002 0.000 0.292 43 T C 0.926 175.478 174.700 -0.246 0.000 1.113 43 T CA -0.551 61.416 62.100 -0.222 0.000 1.008 43 T CB 1.047 69.826 68.868 -0.148 0.000 1.259 43 T HN 0.457 8.697 8.240 -0.000 0.000 0.520 44 L N 1.501 122.552 121.223 -0.287 0.000 2.083 44 L HA 0.236 4.575 4.340 -0.002 0.000 0.209 44 L C 2.412 179.231 176.870 -0.086 0.000 1.083 44 L CA 2.683 57.395 54.840 -0.213 0.000 0.752 44 L CB -1.260 40.707 42.059 -0.153 0.000 0.899 44 L HN 0.958 9.188 8.230 -0.000 0.000 0.433 45 G N -0.503 108.249 108.800 -0.080 0.000 2.459 45 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.217 45 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.217 45 G C 1.731 176.606 174.900 -0.041 0.000 1.183 45 G CA 0.856 45.928 45.100 -0.047 0.000 0.776 45 G HN 0.422 8.712 8.290 -0.000 0.000 0.552 46 R N -0.125 120.342 120.500 -0.055 0.000 2.096 46 R HA 0.051 4.390 4.340 -0.002 0.000 0.235 46 R C 2.606 178.890 176.300 -0.027 0.000 1.127 46 R CA 1.099 57.173 56.100 -0.042 0.000 0.968 46 R CB -0.385 29.882 30.300 -0.055 0.000 0.861 46 R HN 0.398 8.668 8.270 -0.000 0.000 0.440 47 I N 0.765 121.319 120.570 -0.027 0.000 2.252 47 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 47 I C 2.411 178.539 176.117 0.019 0.000 1.102 47 I CA 1.353 62.660 61.300 0.011 0.000 1.385 47 I CB -0.306 37.727 38.000 0.055 0.000 1.064 47 I HN 0.234 8.444 8.210 -0.000 0.000 0.414 48 Q N 0.685 120.493 119.800 0.013 0.000 2.124 48 Q HA -0.241 4.098 4.340 -0.002 0.000 0.202 48 Q C 2.208 178.207 176.000 -0.002 0.000 0.977 48 Q CA 1.520 57.329 55.803 0.011 0.000 0.850 48 Q CB -0.020 28.722 28.738 0.008 0.000 0.901 48 Q HN 0.342 8.612 8.270 -0.000 0.000 0.429 49 K N 0.346 120.741 120.400 -0.007 0.000 2.057 49 K HA -0.153 4.166 4.320 -0.002 0.000 0.206 49 K C 1.886 178.481 176.600 -0.009 0.000 1.050 49 K CA 0.723 57.004 56.287 -0.010 0.000 0.935 49 K CB -0.154 32.339 32.500 -0.013 0.000 0.715 49 K HN 0.052 8.302 8.250 -0.000 0.000 0.439 50 L N 0.691 121.910 121.223 -0.006 0.000 2.083 50 L HA -0.073 4.266 4.340 -0.002 0.000 0.209 50 L C 1.664 178.530 176.870 -0.006 0.000 1.083 50 L CA 1.684 56.522 54.840 -0.004 0.000 0.752 50 L CB -0.102 41.957 42.059 0.001 0.000 0.899 50 L HN 0.168 8.398 8.230 -0.000 0.000 0.433 51 I N -0.605 119.962 120.570 -0.004 0.000 2.716 51 I HA 0.105 4.274 4.170 -0.002 0.000 0.259 51 I C 1.515 177.621 176.117 -0.017 0.000 1.172 51 I CA 0.795 62.089 61.300 -0.010 0.000 1.478 51 I CB -0.387 37.611 38.000 -0.003 0.000 1.104 51 I HN 0.455 8.665 8.210 -0.000 0.000 0.439 52 G N 2.042 110.833 108.800 -0.016 0.000 2.182 52 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.248 52 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.248 52 G C -0.002 174.881 174.900 -0.028 0.000 1.042 52 G CA -0.024 45.063 45.100 -0.021 0.000 0.775 52 G HN 0.395 8.685 8.290 -0.000 0.000 0.501 53 K N -0.593 119.791 120.400 -0.026 0.000 2.532 53 K HA 0.407 4.726 4.320 -0.002 0.000 0.265 53 K C -0.394 176.189 176.600 -0.028 0.000 0.948 53 K CA -0.931 55.333 56.287 -0.038 0.000 0.842 53 K CB 2.212 34.682 32.500 -0.050 0.000 1.392 53 K HN 0.195 8.445 8.250 -0.000 0.000 0.436 54 E N 2.558 122.737 120.200 -0.036 0.000 2.373 54 E HA 0.189 4.538 4.350 -0.002 0.000 0.267 54 E C -0.914 175.666 176.600 -0.034 0.000 1.032 54 E CA -0.188 56.198 56.400 -0.024 0.000 0.889 54 E CB 0.670 30.355 29.700 -0.025 0.000 0.984 54 E HN 0.359 8.719 8.360 -0.000 0.000 0.425 55 I N 4.365 124.933 120.570 -0.004 0.000 2.389 55 I HA 0.271 4.440 4.170 -0.002 0.000 0.288 55 I C 0.316 176.438 176.117 0.009 0.000 0.999 55 I CA -0.704 60.595 61.300 -0.001 0.000 1.129 55 I CB 1.563 39.613 38.000 0.082 0.000 1.288 55 I HN 0.345 8.555 8.210 -0.000 0.000 0.444 56 R N 6.002 126.446 120.500 -0.092 0.000 2.248 56 R HA 0.344 4.683 4.340 -0.002 0.000 0.337 56 R C -0.964 175.436 176.300 0.167 0.000 1.085 56 R CA -0.388 55.706 56.100 -0.012 0.000 0.934 56 R CB 0.761 30.956 30.300 -0.174 0.000 1.034 56 R HN 0.406 8.676 8.270 -0.000 0.000 0.465 57 V N 6.868 126.905 119.914 0.204 0.000 2.555 57 V HA 0.162 4.281 4.120 -0.002 0.000 0.286 57 V C 0.617 176.878 176.094 0.280 0.000 1.044 57 V CA -0.137 62.324 62.300 0.269 0.000 1.026 57 V CB 1.202 33.213 31.823 0.314 0.000 0.981 57 V HN 0.584 8.774 8.190 -0.000 0.000 0.480 58 L N 4.630 126.047 121.223 0.323 0.000 2.325 58 L HA 0.570 4.909 4.340 -0.002 0.000 0.278 58 L C 0.602 177.670 176.870 0.331 0.000 1.023 58 L CA -0.276 54.749 54.840 0.309 0.000 0.811 58 L CB 1.994 44.255 42.059 0.336 0.000 1.249 58 L HN 0.792 9.022 8.230 -0.000 0.000 0.431 59 S N 1.618 117.454 115.700 0.227 0.000 2.681 59 S HA 0.296 4.765 4.470 -0.002 0.000 0.270 59 S C 0.982 175.598 174.600 0.026 0.000 1.209 59 S CA -0.594 57.691 58.200 0.141 0.000 0.988 59 S CB 1.389 64.622 63.200 0.055 0.000 1.006 59 S HN 0.734 9.044 8.310 -0.000 0.000 0.558 60 R N 0.433 120.690 120.500 -0.404 0.000 2.105 60 R HA -0.123 4.216 4.340 -0.002 0.000 0.239 60 R C 1.991 178.192 176.300 -0.166 0.000 1.135 60 R CA 1.891 57.599 56.100 -0.653 0.000 0.967 60 R CB -0.389 29.405 30.300 -0.843 0.000 0.861 60 R HN 0.858 9.128 8.270 -0.000 0.000 0.442 61 E N -0.055 120.085 120.200 -0.099 0.000 2.072 61 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 61 E C 1.556 178.166 176.600 0.017 0.000 0.982 61 E CA 1.119 57.500 56.400 -0.031 0.000 0.803 61 E CB -0.015 29.669 29.700 -0.027 0.000 0.755 61 E HN 0.357 8.717 8.360 -0.000 0.000 0.453 62 D N 0.259 120.684 120.400 0.041 0.000 2.116 62 D HA -0.157 4.482 4.640 -0.002 0.000 0.193 62 D C 1.969 178.327 176.300 0.098 0.000 0.998 62 D CA 0.936 54.975 54.000 0.064 0.000 0.836 62 D CB -0.173 40.686 40.800 0.099 0.000 0.951 62 D HN 0.001 8.371 8.370 -0.000 0.000 0.449 63 V N 0.801 120.813 119.914 0.164 0.000 2.231 63 V HA -0.171 3.948 4.120 -0.002 0.000 0.240 63 V C 2.260 178.436 176.094 0.136 0.000 1.039 63 V CA 1.602 64.034 62.300 0.220 0.000 0.998 63 V CB -0.537 31.482 31.823 0.327 0.000 0.639 63 V HN 0.177 8.367 8.190 -0.000 0.000 0.451 64 E N -0.002 120.256 120.200 0.097 0.000 2.160 64 E HA -0.194 4.155 4.350 -0.002 0.000 0.195 64 E C 2.061 178.684 176.600 0.039 0.000 0.991 64 E CA 1.387 57.819 56.400 0.053 0.000 0.810 64 E CB -0.109 29.610 29.700 0.031 0.000 0.742 64 E HN 0.516 8.876 8.360 -0.000 0.000 0.466 65 L N -0.674 120.571 121.223 0.036 0.000 2.425 65 L HA 0.092 4.431 4.340 -0.002 0.000 0.215 65 L C 0.697 177.581 176.870 0.023 0.000 1.065 65 L CA 0.429 55.282 54.840 0.022 0.000 0.842 65 L CB 0.237 42.300 42.059 0.007 0.000 1.033 65 L HN -0.049 8.181 8.230 -0.000 0.000 0.474 66 N N -1.130 117.587 118.700 0.029 0.000 2.365 66 N HA 0.086 4.825 4.740 -0.002 0.000 0.257 66 N C 0.745 176.236 175.510 -0.031 0.000 1.287 66 N CA -0.202 52.845 53.050 -0.005 0.000 0.882 66 N CB 0.374 38.845 38.487 -0.027 0.000 1.250 66 N HN -0.004 8.376 8.380 -0.000 0.000 0.507 67 F N 2.657 122.520 119.950 -0.145 0.000 2.134 67 F HA -0.161 4.365 4.527 -0.002 0.000 0.299 67 F C 2.387 178.042 175.800 -0.242 0.000 1.097 67 F CA 1.488 59.343 58.000 -0.240 0.000 1.264 67 F CB 0.303 39.165 39.000 -0.230 0.000 1.001 67 F HN 0.177 8.477 8.300 -0.000 0.000 0.479 68 E N -0.414 119.753 120.200 -0.055 0.000 2.478 68 E HA -0.145 4.204 4.350 -0.002 0.000 0.198 68 E C 0.942 177.439 176.600 -0.172 0.000 1.046 68 E CA 1.173 57.500 56.400 -0.121 0.000 0.870 68 E CB -0.993 28.693 29.700 -0.022 0.000 0.818 68 E HN 0.597 8.957 8.360 -0.000 0.000 0.527 69 N N -0.020 118.575 118.700 -0.175 0.000 2.414 69 N HA 0.224 4.963 4.740 -0.002 0.000 0.177 69 N C 1.788 177.173 175.510 -0.207 0.000 1.062 69 N CA 0.118 53.077 53.050 -0.153 0.000 0.890 69 N CB 0.437 38.867 38.487 -0.095 0.000 1.070 69 N HN 0.058 8.438 8.380 -0.000 0.000 0.454 70 I N -0.146 120.245 120.570 -0.300 0.000 2.512 70 I HA -0.028 4.141 4.170 -0.002 0.000 0.247 70 I C 1.731 177.484 176.117 -0.606 0.000 1.094 70 I CA 0.587 61.675 61.300 -0.352 0.000 1.427 70 I CB -0.005 37.807 38.000 -0.314 0.000 1.149 70 I HN -0.084 8.126 8.210 -0.000 0.000 0.438 71 V N 1.118 120.443 119.914 -0.982 0.000 2.300 71 V HA -0.116 4.003 4.120 -0.002 0.000 0.241 71 V C 2.365 177.999 176.094 -0.767 0.000 1.034 71 V CA 1.125 62.656 62.300 -1.283 0.000 1.021 71 V CB -0.495 30.172 31.823 -1.926 0.000 0.662 71 V HN 0.287 8.477 8.190 -0.000 0.000 0.458 72 L N 0.109 120.920 121.223 -0.686 0.000 2.043 72 L HA -0.168 4.171 4.340 -0.002 0.000 0.212 72 L C 0.040 176.762 176.870 -0.247 0.000 1.075 72 L CA 1.933 56.546 54.840 -0.378 0.000 0.752 72 L CB -2.072 39.829 42.059 -0.262 0.000 0.891 72 L HN 0.352 8.582 8.230 -0.000 0.000 0.432 73 P HA -0.210 4.210 4.420 -0.000 0.000 0.215 73 P C 1.958 179.171 177.300 -0.146 0.000 1.157 73 P CA 1.521 64.522 63.100 -0.164 0.000 0.874 73 P CB 0.054 31.657 31.700 -0.161 0.000 0.790 74 L N -1.440 119.670 121.223 -0.188 0.000 2.141 74 L HA -0.104 4.235 4.340 -0.002 0.000 0.209 74 L C 2.413 179.247 176.870 -0.060 0.000 1.094 74 L CA 1.258 56.001 54.840 -0.162 0.000 0.763 74 L CB -1.080 40.795 42.059 -0.305 0.000 0.908 74 L HN -0.056 8.174 8.230 -0.000 0.000 0.437 75 A N 0.220 122.985 122.820 -0.093 0.000 2.070 75 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 75 A C 2.242 179.810 177.584 -0.027 0.000 1.159 75 A CA 1.399 53.408 52.037 -0.047 0.000 0.656 75 A CB -0.302 18.628 19.000 -0.118 0.000 0.800 75 A HN 0.368 8.518 8.150 -0.000 0.000 0.453 76 K N -0.552 119.821 120.400 -0.044 0.000 2.217 76 K HA -0.070 4.249 4.320 -0.002 0.000 0.202 76 K C 1.342 177.943 176.600 0.001 0.000 1.051 76 K CA 1.219 57.490 56.287 -0.026 0.000 0.952 76 K CB 0.039 32.516 32.500 -0.039 0.000 0.736 76 K HN 0.442 8.692 8.250 -0.000 0.000 0.453 77 E N 0.065 120.274 120.200 0.015 0.000 2.290 77 E HA 0.107 4.456 4.350 -0.002 0.000 0.197 77 E C 0.452 177.096 176.600 0.074 0.000 0.948 77 E CA 0.379 56.803 56.400 0.040 0.000 0.895 77 E CB 0.294 30.018 29.700 0.041 0.000 0.865 77 E HN 0.296 8.656 8.360 -0.000 0.000 0.486 78 N N 0.842 119.606 118.700 0.107 0.000 2.966 78 N HA 0.195 4.934 4.740 -0.002 0.000 0.314 78 N C -0.766 174.831 175.510 0.145 0.000 1.397 78 N CA -0.579 52.559 53.050 0.147 0.000 0.776 78 N CB 1.030 39.671 38.487 0.256 0.000 1.576 78 N HN -0.174 8.206 8.380 -0.000 0.000 0.592 79 D N 1.179 121.677 120.400 0.163 0.000 2.313 79 D HA 0.334 4.973 4.640 -0.002 0.000 0.239 79 D C -0.600 175.846 176.300 0.244 0.000 1.142 79 D CA 0.031 54.153 54.000 0.203 0.000 0.847 79 D CB 1.507 42.445 40.800 0.230 0.000 1.082 79 D HN 0.058 8.428 8.370 -0.000 0.000 0.480 80 V N 1.414 121.476 119.914 0.247 0.000 2.680 80 V HA 0.725 4.844 4.120 -0.002 0.000 0.309 80 V C 0.043 176.317 176.094 0.299 0.000 1.052 80 V CA -0.868 61.602 62.300 0.283 0.000 0.908 80 V CB 1.896 33.859 31.823 0.234 0.000 1.001 80 V HN 0.632 8.822 8.190 -0.000 0.000 0.431 81 A N 3.707 126.712 122.820 0.308 0.000 2.355 81 A HA 0.896 5.215 4.320 -0.002 0.000 0.324 81 A C -1.397 176.377 177.584 0.316 0.000 1.117 81 A CA -0.411 51.795 52.037 0.281 0.000 0.785 81 A CB 1.282 20.397 19.000 0.193 0.000 1.254 81 A HN 0.778 8.928 8.150 -0.000 0.000 0.453 82 F N 3.079 123.033 119.950 0.007 0.000 2.496 82 F HA 0.593 5.119 4.527 -0.002 0.000 0.341 82 F C -1.055 174.709 175.800 -0.061 0.000 1.134 82 F CA -1.367 56.611 58.000 -0.037 0.000 0.968 82 F CB 0.893 39.760 39.000 -0.221 0.000 1.205 82 F HN 0.463 8.763 8.300 -0.000 0.000 0.436 83 L N 5.105 126.087 121.223 -0.401 0.000 2.357 83 L HA 0.750 5.089 4.340 -0.002 0.000 0.273 83 L C 0.235 176.645 176.870 -0.768 0.000 1.080 83 L CA -0.623 53.951 54.840 -0.443 0.000 0.803 83 L CB 1.691 43.614 42.059 -0.227 0.000 1.174 83 L HN 0.725 8.955 8.230 -0.000 0.000 0.443 84 T N -0.175 114.072 114.554 -0.513 0.000 2.868 84 T HA 0.554 4.903 4.350 -0.002 0.000 0.306 84 T C -2.940 171.650 174.700 -0.182 0.000 1.224 84 T CA -1.945 59.883 62.100 -0.453 0.000 1.012 84 T CB 2.353 70.969 68.868 -0.420 0.000 1.221 84 T HN 0.170 8.410 8.240 -0.000 0.000 0.499 85 P HA 0.457 4.877 4.420 -0.000 0.000 0.272 85 P C 1.187 178.509 177.300 0.037 0.000 1.230 85 P CA 1.371 64.486 63.100 0.024 0.000 0.788 85 P CB 0.110 31.848 31.700 0.063 0.000 0.949 86 G N 1.540 110.379 108.800 0.065 0.000 2.614 86 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.303 86 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.303 86 G C -0.421 174.530 174.900 0.085 0.000 1.270 86 G CA 0.128 45.279 45.100 0.085 0.000 0.988 86 G HN 0.673 8.963 8.290 -0.000 0.000 0.551 87 D N 1.664 122.132 120.400 0.113 0.000 2.249 87 D HA 0.372 5.011 4.640 -0.002 0.000 0.246 87 D C -0.577 175.789 176.300 0.110 0.000 1.114 87 D CA -1.362 52.714 54.000 0.126 0.000 0.854 87 D CB 1.652 42.555 40.800 0.172 0.000 1.132 87 D HN 0.043 8.413 8.370 -0.000 0.000 0.461 88 P HA -0.135 4.285 4.420 -0.000 0.000 0.216 88 P C 1.308 178.689 177.300 0.136 0.000 1.154 88 P CA 0.937 64.067 63.100 0.051 0.000 0.865 88 P CB 0.453 32.180 31.700 0.046 0.000 0.789 89 L N -1.174 120.097 121.223 0.080 0.000 2.700 89 L HA 0.110 4.449 4.340 -0.002 0.000 0.234 89 L C 1.588 178.486 176.870 0.048 0.000 1.156 89 L CA -0.004 54.865 54.840 0.050 0.000 0.946 89 L CB 0.259 42.293 42.059 -0.042 0.000 1.216 89 L HN -0.199 8.031 8.230 -0.000 0.000 0.493 90 V N 0.166 120.125 119.914 0.075 0.000 3.623 90 V HA 0.130 4.249 4.120 -0.002 0.000 0.271 90 V C 1.299 177.386 176.094 -0.012 0.000 1.248 90 V CA 0.320 62.636 62.300 0.028 0.000 1.156 90 V CB -0.011 31.877 31.823 0.108 0.000 0.870 90 V HN 0.368 8.558 8.190 -0.000 0.000 0.453 91 A N 0.562 123.364 122.820 -0.030 0.000 2.320 91 A HA 0.412 4.731 4.320 -0.002 0.000 0.287 91 A C 1.692 179.180 177.584 -0.161 0.000 1.181 91 A CA 0.421 52.350 52.037 -0.179 0.000 0.831 91 A CB 0.422 19.141 19.000 -0.469 0.000 1.102 91 A HN 0.514 8.664 8.150 -0.000 0.000 0.513 92 T N 0.013 114.484 114.554 -0.138 0.000 2.751 92 T HA -0.269 4.080 4.350 -0.002 0.000 0.268 92 T C 1.382 176.033 174.700 -0.081 0.000 1.045 92 T CA 2.582 64.626 62.100 -0.094 0.000 1.142 92 T CB -0.808 68.013 68.868 -0.077 0.000 0.851 92 T HN 1.036 9.276 8.240 -0.000 0.000 0.474 93 T N -2.435 112.050 114.554 -0.116 0.000 3.014 93 T HA 0.161 4.510 4.350 -0.002 0.000 0.250 93 T C 1.694 176.396 174.700 0.003 0.000 1.060 93 T CA 0.168 62.229 62.100 -0.065 0.000 1.040 93 T CB -0.338 68.497 68.868 -0.056 0.000 0.971 93 T HN 0.367 8.607 8.240 -0.000 0.000 0.497 94 H N 2.082 121.130 119.070 -0.037 0.000 2.387 94 H HA 0.280 4.835 4.556 -0.001 0.000 0.299 94 H C 2.655 177.904 175.328 -0.132 0.000 1.090 94 H CA 1.164 57.190 56.048 -0.036 0.000 1.332 94 H CB -0.820 28.942 29.762 -0.000 0.000 1.386 94 H HN 0.551 8.831 8.280 -0.000 0.000 0.516 95 A N 0.995 123.805 122.820 -0.016 0.000 1.917 95 A HA -0.217 4.102 4.320 -0.002 0.000 0.219 95 A C 2.339 179.847 177.584 -0.126 0.000 1.182 95 A CA 1.823 53.782 52.037 -0.130 0.000 0.633 95 A CB -0.426 18.517 19.000 -0.094 0.000 0.819 95 A HN 0.456 8.606 8.150 -0.000 0.000 0.448 96 E N 0.179 120.337 120.200 -0.070 0.000 2.209 96 E HA -0.179 4.170 4.350 -0.002 0.000 0.196 96 E C 1.844 178.405 176.600 -0.065 0.000 0.993 96 E CA 1.023 57.387 56.400 -0.059 0.000 0.819 96 E CB -0.240 29.436 29.700 -0.039 0.000 0.745 96 E HN 0.700 9.060 8.360 -0.000 0.000 0.477 97 L N 0.048 121.216 121.223 -0.091 0.000 2.191 97 L HA -0.138 4.201 4.340 -0.002 0.000 0.212 97 L C 2.711 179.618 176.870 0.062 0.000 1.103 97 L CA 0.918 55.692 54.840 -0.111 0.000 0.769 97 L CB -0.338 41.537 42.059 -0.307 0.000 0.908 97 L HN 0.038 8.268 8.230 -0.000 0.000 0.438 98 R N 0.041 120.507 120.500 -0.057 0.000 2.148 98 R HA -0.089 4.250 4.340 -0.002 0.000 0.227 98 R C 2.205 178.497 176.300 -0.013 0.000 1.103 98 R CA 1.097 57.165 56.100 -0.054 0.000 0.983 98 R CB -0.276 29.869 30.300 -0.258 0.000 0.874 98 R HN 0.388 8.658 8.270 -0.000 0.000 0.451 99 I N 0.582 121.135 120.570 -0.029 0.000 2.202 99 I HA -0.253 3.916 4.170 -0.002 0.000 0.242 99 I C 2.357 178.480 176.117 0.009 0.000 1.091 99 I CA 1.320 62.609 61.300 -0.019 0.000 1.368 99 I CB -0.253 37.731 38.000 -0.026 0.000 1.058 99 I HN 0.113 8.323 8.210 -0.000 0.000 0.410 100 R N 0.937 121.458 120.500 0.035 0.000 2.105 100 R HA -0.151 4.188 4.340 -0.002 0.000 0.239 100 R C 2.434 178.774 176.300 0.065 0.000 1.135 100 R CA 1.469 57.605 56.100 0.058 0.000 0.967 100 R CB -0.538 29.828 30.300 0.110 0.000 0.861 100 R HN 0.378 8.648 8.270 -0.000 0.000 0.442 101 A N 1.636 124.517 122.820 0.101 0.000 1.858 101 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 101 A C 2.097 179.691 177.584 0.017 0.000 1.190 101 A CA 1.416 53.498 52.037 0.076 0.000 0.617 101 A CB -0.416 18.668 19.000 0.139 0.000 0.827 101 A HN 0.203 8.353 8.150 -0.000 0.000 0.443 102 K N -0.439 119.963 120.400 0.003 0.000 2.032 102 K HA -0.177 4.142 4.320 -0.002 0.000 0.209 102 K C 2.244 178.835 176.600 -0.015 0.000 1.048 102 K CA 1.679 57.953 56.287 -0.020 0.000 0.927 102 K CB -0.197 32.285 32.500 -0.030 0.000 0.712 102 K HN 0.429 8.679 8.250 -0.000 0.000 0.441 103 R N -0.503 119.992 120.500 -0.008 0.000 2.193 103 R HA -0.074 4.265 4.340 -0.002 0.000 0.229 103 R C 1.808 178.101 176.300 -0.012 0.000 1.110 103 R CA 0.952 57.047 56.100 -0.010 0.000 0.988 103 R CB -0.068 30.229 30.300 -0.006 0.000 0.871 103 R HN 0.178 8.448 8.270 -0.000 0.000 0.458 104 A N 0.036 122.849 122.820 -0.013 0.000 2.275 104 A HA 0.281 4.600 4.320 -0.002 0.000 0.212 104 A C 1.271 178.840 177.584 -0.025 0.000 1.201 104 A CA 0.531 52.555 52.037 -0.023 0.000 0.843 104 A CB 0.130 19.111 19.000 -0.032 0.000 0.873 104 A HN 0.386 8.536 8.150 -0.000 0.000 0.492 105 G N -1.300 107.488 108.800 -0.021 0.000 2.136 105 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.242 105 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.242 105 G C 0.029 174.915 174.900 -0.023 0.000 0.989 105 G CA 0.213 45.301 45.100 -0.020 0.000 0.682 105 G HN 0.815 9.105 8.290 -0.000 0.000 0.522 106 V N 1.212 121.109 119.914 -0.028 0.000 2.398 106 V HA 0.482 4.601 4.120 -0.002 0.000 0.286 106 V C 0.236 176.299 176.094 -0.052 0.000 1.026 106 V CA -1.163 61.117 62.300 -0.034 0.000 0.868 106 V CB 1.772 33.571 31.823 -0.040 0.000 0.982 106 V HN 0.292 8.482 8.190 -0.000 0.000 0.443 107 E N 2.944 123.105 120.200 -0.066 0.000 2.354 107 E HA 0.437 4.786 4.350 -0.002 0.000 0.269 107 E C -0.017 176.432 176.600 -0.253 0.000 1.036 107 E CA -0.026 56.282 56.400 -0.152 0.000 0.876 107 E CB 1.689 31.346 29.700 -0.072 0.000 1.009 107 E HN 0.796 9.156 8.360 -0.000 0.000 0.416 108 S N 1.909 117.345 115.700 -0.440 0.000 2.570 108 S HA 0.723 5.192 4.470 -0.002 0.000 0.286 108 S C -1.142 173.025 174.600 -0.721 0.000 1.099 108 S CA -0.806 57.186 58.200 -0.347 0.000 0.913 108 S CB 0.883 64.140 63.200 0.094 0.000 1.085 108 S HN 0.373 8.683 8.310 -0.000 0.000 0.480 109 Y N -0.143 120.189 120.300 0.054 0.000 2.524 109 Y HA 0.629 5.178 4.550 -0.001 0.000 0.347 109 Y C -0.542 175.482 175.900 0.208 0.000 1.005 109 Y CA -1.149 57.017 58.100 0.110 0.000 1.025 109 Y CB 2.079 40.628 38.460 0.148 0.000 1.275 109 Y HN 0.603 8.883 8.280 -0.000 0.000 0.460 110 V N 4.701 124.742 119.914 0.211 0.000 2.398 110 V HA 0.401 4.520 4.120 -0.002 0.000 0.286 110 V C -0.543 175.521 176.094 -0.050 0.000 1.026 110 V CA -0.692 61.633 62.300 0.042 0.000 0.868 110 V CB 1.383 33.083 31.823 -0.204 0.000 0.982 110 V HN 0.476 8.666 8.190 -0.000 0.000 0.443 111 I N 4.789 125.345 120.570 -0.023 0.000 2.354 111 I HA 0.404 4.573 4.170 -0.002 0.000 0.286 111 I C 0.479 176.537 176.117 -0.098 0.000 1.007 111 I CA -0.481 60.804 61.300 -0.025 0.000 1.167 111 I CB 0.677 38.707 38.000 0.048 0.000 1.320 111 I HN 0.594 8.804 8.210 -0.000 0.000 0.458 112 H N 4.423 123.538 119.070 0.075 0.000 2.660 112 H HA 0.690 5.245 4.556 -0.002 0.000 0.374 112 H C 0.111 175.468 175.328 0.048 0.000 1.291 112 H CA -0.221 55.861 56.048 0.056 0.000 1.437 112 H CB 1.583 31.372 29.762 0.044 0.000 1.509 112 H HN 0.741 9.021 8.280 -0.000 0.000 0.614 113 A N 0.929 123.859 122.820 0.185 0.000 2.586 113 A HA 0.430 4.749 4.320 -0.002 0.000 0.290 113 A C -2.781 174.867 177.584 0.106 0.000 1.086 113 A CA -1.511 50.594 52.037 0.114 0.000 0.665 113 A CB 0.556 19.604 19.000 0.081 0.000 1.279 113 A HN 0.379 8.529 8.150 -0.000 0.000 0.423 114 P HA 0.229 4.649 4.420 -0.000 0.000 0.263 114 P C -0.325 177.028 177.300 0.088 0.000 1.175 114 P CA 0.663 63.807 63.100 0.072 0.000 0.761 114 P CB 0.706 32.443 31.700 0.062 0.000 0.794 115 S N 2.354 118.109 115.700 0.090 0.000 2.570 115 S HA 0.369 4.838 4.470 -0.002 0.000 0.286 115 S C 0.746 175.404 174.600 0.098 0.000 1.099 115 S CA -0.682 57.593 58.200 0.125 0.000 0.913 115 S CB 0.744 64.048 63.200 0.174 0.000 1.085 115 S HN 0.256 8.566 8.310 -0.000 0.000 0.480 116 I N 3.229 123.860 120.570 0.102 0.000 2.493 116 I HA 0.059 4.228 4.170 -0.002 0.000 0.254 116 I C 1.291 177.340 176.117 -0.113 0.000 1.160 116 I CA 1.438 62.730 61.300 -0.014 0.000 1.445 116 I CB -0.441 37.548 38.000 -0.019 0.000 1.086 116 I HN 0.835 9.045 8.210 -0.000 0.000 0.433 117 Y N 0.337 120.637 120.300 0.000 0.000 2.224 117 Y HA -0.260 4.288 4.550 -0.002 0.000 0.289 117 Y C 2.806 178.609 175.900 -0.163 0.000 1.146 117 Y CA 1.925 59.978 58.100 -0.078 0.000 1.182 117 Y CB -0.491 37.969 38.460 -0.001 0.000 0.983 117 Y HN 0.352 8.632 8.280 -0.000 0.000 0.524 118 S N -1.356 114.375 115.700 0.051 0.000 2.441 118 S HA 0.102 4.571 4.470 -0.002 0.000 0.224 118 S C 2.168 176.734 174.600 -0.057 0.000 1.043 118 S CA 0.274 58.464 58.200 -0.016 0.000 0.948 118 S CB -0.598 62.609 63.200 0.012 0.000 0.810 118 S HN 0.282 8.592 8.310 -0.000 0.000 0.504 119 A N 2.418 125.210 122.820 -0.046 0.000 2.076 119 A HA 0.007 4.326 4.320 -0.002 0.000 0.220 119 A C 2.324 179.851 177.584 -0.094 0.000 1.160 119 A CA 1.562 53.567 52.037 -0.054 0.000 0.653 119 A CB -1.241 17.738 19.000 -0.035 0.000 0.801 119 A HN 1.007 9.157 8.150 -0.000 0.000 0.455 120 V N -2.081 117.736 119.914 -0.163 0.000 3.026 120 V HA -0.029 4.090 4.120 -0.002 0.000 0.265 120 V C 2.075 178.097 176.094 -0.120 0.000 1.121 120 V CA 1.505 63.696 62.300 -0.181 0.000 1.142 120 V CB -1.748 29.871 31.823 -0.340 0.000 0.730 120 V HN 0.389 8.579 8.190 -0.000 0.000 0.503 121 G N 0.416 109.151 108.800 -0.109 0.000 2.479 121 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.220 121 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.220 121 G C 1.433 176.267 174.900 -0.110 0.000 1.115 121 G CA 0.932 45.986 45.100 -0.075 0.000 0.757 121 G HN 0.606 8.896 8.290 -0.000 0.000 0.560 122 I N 1.885 122.410 120.570 -0.075 0.000 3.334 122 I HA -0.061 4.108 4.170 -0.002 0.000 0.282 122 I C 2.597 178.706 176.117 -0.013 0.000 1.313 122 I CA 1.379 62.659 61.300 -0.032 0.000 1.396 122 I CB 0.074 38.077 38.000 0.005 0.000 1.054 122 I HN 0.278 8.488 8.210 -0.000 0.000 0.495 123 T N -3.225 111.281 114.554 -0.080 0.000 3.100 123 T HA 0.216 4.565 4.350 -0.002 0.000 0.253 123 T C 1.552 176.123 174.700 -0.214 0.000 1.118 123 T CA 0.535 62.615 62.100 -0.034 0.000 1.058 123 T CB 0.355 69.195 68.868 -0.047 0.000 0.953 123 T HN 0.491 8.731 8.240 -0.000 0.000 0.515 124 G N 1.203 109.612 108.800 -0.651 0.000 2.225 124 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.254 124 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.254 124 G C -0.021 174.633 174.900 -0.410 0.000 0.988 124 G CA 0.098 44.594 45.100 -1.007 0.000 0.625 124 G HN 0.629 8.919 8.290 -0.000 0.000 0.527 125 L N 2.023 123.095 121.223 -0.252 0.000 2.380 125 L HA 0.375 4.714 4.340 -0.002 0.000 0.273 125 L C 0.732 177.619 176.870 0.029 0.000 1.138 125 L CA -1.116 53.591 54.840 -0.221 0.000 0.832 125 L CB 0.445 42.282 42.059 -0.370 0.000 1.124 125 L HN 0.109 8.339 8.230 -0.000 0.000 0.454 126 H N 3.404 122.472 119.070 -0.004 0.000 2.975 126 H HA -0.029 4.526 4.556 -0.002 0.000 0.303 126 H C 0.841 176.217 175.328 0.080 0.000 1.023 126 H CA -0.100 55.920 56.048 -0.045 0.000 1.473 126 H CB 0.902 30.485 29.762 -0.298 0.000 1.498 126 H HN 0.536 8.816 8.280 -0.000 0.000 0.549 127 I N 4.469 125.214 120.570 0.291 0.000 2.264 127 I HA -0.307 3.862 4.170 -0.002 0.000 0.248 127 I C 2.093 178.394 176.117 0.306 0.000 1.111 127 I CA 1.317 62.797 61.300 0.300 0.000 1.382 127 I CB -0.335 37.732 38.000 0.112 0.000 1.060 127 I HN 0.692 8.902 8.210 -0.000 0.000 0.418 128 Y N 0.027 120.437 120.300 0.183 0.000 2.497 128 Y HA -0.014 4.535 4.550 -0.002 0.000 0.292 128 Y C 1.866 177.838 175.900 0.120 0.000 1.137 128 Y CA 0.971 59.140 58.100 0.114 0.000 1.285 128 Y CB -1.120 37.355 38.460 0.026 0.000 0.991 128 Y HN 0.033 8.313 8.280 -0.000 0.000 0.556 129 K N 0.080 120.165 120.400 -0.525 0.000 2.487 129 K HA 0.087 4.406 4.320 -0.002 0.000 0.192 129 K C -0.702 175.711 176.600 -0.312 0.000 1.027 129 K CA -0.192 55.770 56.287 -0.541 0.000 1.054 129 K CB -0.120 31.858 32.500 -0.869 0.000 0.824 129 K HN 0.133 8.383 8.250 -0.000 0.000 0.510 130 F N 0.617 120.514 119.950 -0.088 0.000 2.443 130 F HA 0.178 4.704 4.527 -0.001 0.000 0.353 130 F C 1.464 177.275 175.800 0.018 0.000 1.101 130 F CA -0.254 57.756 58.000 0.016 0.000 1.226 130 F CB 0.908 39.954 39.000 0.076 0.000 1.140 130 F HN -0.037 8.263 8.300 -0.000 0.000 0.557 131 G N 2.180 111.078 108.800 0.163 0.000 2.849 131 G HA2 0.219 4.178 3.960 -0.002 0.000 0.174 131 G HA3 0.219 4.178 3.960 -0.002 0.000 0.174 131 G C -0.707 174.299 174.900 0.177 0.000 1.370 131 G CA -0.786 44.388 45.100 0.124 0.000 1.040 131 G HN 0.540 8.830 8.290 -0.000 0.000 0.582 132 K N -0.103 120.378 120.400 0.135 0.000 2.436 132 K HA 0.243 4.562 4.320 -0.002 0.000 0.275 132 K C -0.205 176.515 176.600 0.199 0.000 0.999 132 K CA 0.060 56.438 56.287 0.152 0.000 0.980 132 K CB 0.181 32.749 32.500 0.112 0.000 0.919 132 K HN 0.300 8.550 8.250 -0.000 0.000 0.484 133 S N 0.889 116.740 115.700 0.252 0.000 2.690 133 S HA 0.795 5.264 4.470 -0.002 0.000 0.291 133 S C -0.985 173.782 174.600 0.279 0.000 1.138 133 S CA -0.737 57.644 58.200 0.302 0.000 1.013 133 S CB 1.805 65.294 63.200 0.482 0.000 1.053 133 S HN 0.781 9.091 8.310 -0.000 0.000 0.539 134 A N 0.811 123.806 122.820 0.293 0.000 2.602 134 A HA 0.787 5.106 4.320 -0.002 0.000 0.290 134 A C -0.980 176.778 177.584 0.289 0.000 1.114 134 A CA -0.751 51.446 52.037 0.267 0.000 0.683 134 A CB 1.237 20.381 19.000 0.241 0.000 1.281 134 A HN 0.580 8.730 8.150 -0.000 0.000 0.416 135 T N 0.814 115.488 114.554 0.200 0.000 2.829 135 T HA 0.502 4.851 4.350 -0.002 0.000 0.280 135 T C -0.622 174.001 174.700 -0.128 0.000 0.999 135 T CA -0.314 61.847 62.100 0.101 0.000 0.983 135 T CB 1.391 70.296 68.868 0.061 0.000 0.968 135 T HN 0.594 8.834 8.240 -0.000 0.000 0.446 136 V N 3.486 123.203 119.914 -0.329 0.000 2.338 136 V HA 0.439 4.558 4.120 -0.002 0.000 0.255 136 V C 0.892 176.651 176.094 -0.557 0.000 1.082 136 V CA -0.730 61.075 62.300 -0.825 0.000 0.951 136 V CB -0.349 31.092 31.823 -0.636 0.000 1.102 136 V HN 1.096 9.286 8.190 -0.000 0.000 0.489 137 A N 4.854 127.421 122.820 -0.421 0.000 2.425 137 A HA 0.433 4.752 4.320 -0.002 0.000 0.242 137 A C -0.382 177.094 177.584 -0.181 0.000 1.077 137 A CA -0.133 51.804 52.037 -0.167 0.000 0.781 137 A CB 0.018 19.038 19.000 0.034 0.000 1.020 137 A HN 0.630 8.780 8.150 -0.000 0.000 0.494 138 Y N 1.358 121.589 120.300 -0.115 0.000 2.465 138 Y HA 0.286 4.835 4.550 -0.002 0.000 0.331 138 Y C -1.683 174.098 175.900 -0.198 0.000 1.102 138 Y CA -1.324 56.688 58.100 -0.147 0.000 1.358 138 Y CB 0.053 38.448 38.460 -0.109 0.000 1.213 138 Y HN 0.450 8.730 8.280 -0.000 0.000 0.525 139 P HA 0.044 4.464 4.420 -0.000 0.000 0.267 139 P C -0.995 176.168 177.300 -0.228 0.000 1.205 139 P CA -0.106 62.672 63.100 -0.538 0.000 0.765 139 P CB 0.347 31.372 31.700 -1.123 0.000 0.828 140 E N 2.645 122.790 120.200 -0.092 0.000 2.244 140 E HA 0.588 4.937 4.350 -0.002 0.000 0.260 140 E C -0.388 176.264 176.600 0.087 0.000 0.884 140 E CA -1.002 55.400 56.400 0.002 0.000 0.777 140 E CB 1.023 30.737 29.700 0.023 0.000 1.197 140 E HN 0.618 8.978 8.360 -0.000 0.000 0.416 141 G N 3.103 111.951 108.800 0.079 0.000 2.619 141 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.686 141 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.686 141 G C 0.012 175.017 174.900 0.174 0.000 1.256 141 G CA -0.325 44.842 45.100 0.112 0.000 0.826 141 G HN 0.511 8.801 8.290 -0.000 0.000 0.619 142 N N -0.479 118.299 118.700 0.131 0.000 2.244 142 N HA -0.013 4.726 4.740 -0.002 0.000 0.183 142 N C 1.063 176.674 175.510 0.168 0.000 1.016 142 N CA 1.258 54.390 53.050 0.136 0.000 0.866 142 N CB -0.143 38.388 38.487 0.073 0.000 0.980 142 N HN 0.506 8.886 8.380 -0.000 0.000 0.430 143 M N 0.704 120.382 119.600 0.130 0.000 2.311 143 M HA 0.345 4.824 4.480 -0.002 0.000 0.325 143 M C -0.959 175.414 176.300 0.122 0.000 1.061 143 M CA -0.705 54.606 55.300 0.019 0.000 0.957 143 M CB 1.370 33.955 32.600 -0.026 0.000 1.646 143 M HN -0.047 8.243 8.290 -0.000 0.000 0.434 144 F N 1.142 121.101 119.950 0.016 0.000 2.631 144 F HA 0.924 5.451 4.527 -0.002 0.000 0.308 144 F C -2.837 172.971 175.800 0.013 0.000 1.097 144 F CA -2.193 55.824 58.000 0.029 0.000 0.952 144 F CB -0.240 38.795 39.000 0.059 0.000 1.307 144 F HN 0.320 8.620 8.300 -0.000 0.000 0.450 145 P HA 0.403 4.823 4.420 -0.000 0.000 0.276 145 P C -0.450 176.914 177.300 0.106 0.000 1.244 145 P CA -0.492 62.649 63.100 0.068 0.000 0.801 145 P CB 1.122 32.875 31.700 0.088 0.000 1.006 146 T N -4.219 110.257 114.554 -0.131 0.000 3.866 146 T HA 0.175 4.524 4.350 -0.002 0.000 0.241 146 T C 0.873 175.245 174.700 -0.546 0.000 1.017 146 T CA -0.021 61.776 62.100 -0.505 0.000 1.300 146 T CB -0.969 67.636 68.868 -0.439 0.000 0.968 146 T HN 0.298 8.538 8.240 -0.000 0.000 0.595 147 S N 1.177 116.717 115.700 -0.266 0.000 2.419 147 S HA -0.212 4.257 4.470 -0.002 0.000 0.233 147 S C 1.865 176.428 174.600 -0.061 0.000 1.016 147 S CA 1.038 59.181 58.200 -0.094 0.000 0.974 147 S CB -1.139 62.075 63.200 0.024 0.000 0.786 147 S HN 0.838 9.148 8.310 -0.000 0.000 0.492 148 Y N 0.072 120.446 120.300 0.122 0.000 2.274 148 Y HA -0.030 4.519 4.550 -0.001 0.000 0.290 148 Y C 2.335 178.302 175.900 0.112 0.000 1.145 148 Y CA 0.541 58.705 58.100 0.105 0.000 1.203 148 Y CB -1.248 37.264 38.460 0.086 0.000 0.984 148 Y HN 0.311 8.591 8.280 -0.000 0.000 0.533 149 Y N 2.021 122.176 120.300 -0.241 0.000 2.293 149 Y HA -0.140 4.409 4.550 -0.002 0.000 0.291 149 Y C 1.533 177.417 175.900 -0.027 0.000 1.137 149 Y CA 1.655 59.700 58.100 -0.091 0.000 1.202 149 Y CB -0.403 37.943 38.460 -0.190 0.000 0.990 149 Y HN 0.122 8.402 8.280 -0.000 0.000 0.537 150 D N -0.590 119.877 120.400 0.112 0.000 2.224 150 D HA -0.135 4.504 4.640 -0.002 0.000 0.205 150 D C 2.355 178.659 176.300 0.007 0.000 0.965 150 D CA 1.221 55.262 54.000 0.067 0.000 0.852 150 D CB -0.262 40.586 40.800 0.079 0.000 0.947 150 D HN 0.342 8.712 8.370 -0.000 0.000 0.494 151 V N 1.300 121.233 119.914 0.032 0.000 2.358 151 V HA -0.186 3.933 4.120 -0.002 0.000 0.246 151 V C 2.514 178.617 176.094 0.014 0.000 1.047 151 V CA 0.967 63.296 62.300 0.048 0.000 1.035 151 V CB -0.306 31.579 31.823 0.103 0.000 0.658 151 V HN 0.167 8.357 8.190 -0.000 0.000 0.452 152 I N 0.065 120.621 120.570 -0.022 0.000 2.163 152 I HA -0.302 3.867 4.170 -0.002 0.000 0.243 152 I C 2.589 178.651 176.117 -0.093 0.000 1.085 152 I CA 2.029 63.298 61.300 -0.050 0.000 1.347 152 I CB -0.511 37.439 38.000 -0.083 0.000 1.044 152 I HN 0.286 8.496 8.210 -0.000 0.000 0.408 153 K N 0.932 121.228 120.400 -0.173 0.000 2.032 153 K HA -0.221 4.098 4.320 -0.002 0.000 0.209 153 K C 2.075 178.643 176.600 -0.052 0.000 1.048 153 K CA 1.508 57.716 56.287 -0.132 0.000 0.927 153 K CB 0.024 32.442 32.500 -0.138 0.000 0.712 153 K HN 0.187 8.438 8.250 -0.000 0.000 0.441 154 E N 0.877 121.060 120.200 -0.029 0.000 2.077 154 E HA -0.169 4.180 4.350 -0.002 0.000 0.193 154 E C 1.869 178.465 176.600 -0.006 0.000 0.989 154 E CA 1.010 57.407 56.400 -0.005 0.000 0.800 154 E CB -0.351 29.357 29.700 0.012 0.000 0.746 154 E HN 0.387 8.747 8.360 -0.000 0.000 0.452 155 N N 0.948 119.644 118.700 -0.006 0.000 2.080 155 N HA -0.094 4.645 4.740 -0.002 0.000 0.189 155 N C 1.838 177.329 175.510 -0.033 0.000 1.036 155 N CA 1.492 54.535 53.050 -0.012 0.000 0.846 155 N CB -0.553 37.933 38.487 -0.002 0.000 1.015 155 N HN 0.135 8.515 8.380 -0.000 0.000 0.423 156 A N 1.442 124.242 122.820 -0.034 0.000 1.948 156 A HA -0.206 4.113 4.320 -0.002 0.000 0.220 156 A C 2.066 179.631 177.584 -0.031 0.000 1.177 156 A CA 1.662 53.677 52.037 -0.036 0.000 0.636 156 A CB -0.643 18.336 19.000 -0.034 0.000 0.815 156 A HN 0.395 8.545 8.150 -0.000 0.000 0.449 157 E N -0.850 119.335 120.200 -0.025 0.000 2.153 157 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 157 E C 1.922 178.512 176.600 -0.017 0.000 0.988 157 E CA 0.837 57.227 56.400 -0.017 0.000 0.811 157 E CB -0.092 29.602 29.700 -0.010 0.000 0.746 157 E HN 0.559 8.919 8.360 -0.000 0.000 0.466 158 R N -0.518 119.969 120.500 -0.021 0.000 2.310 158 R HA 0.075 4.414 4.340 -0.002 0.000 0.202 158 R C 0.879 177.156 176.300 -0.038 0.000 0.933 158 R CA 0.462 56.549 56.100 -0.021 0.000 1.054 158 R CB 0.510 30.800 30.300 -0.015 0.000 0.985 158 R HN 0.163 8.433 8.270 -0.000 0.000 0.489 159 G N 1.581 110.350 108.800 -0.051 0.000 2.198 159 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.257 159 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.257 159 G C -0.087 174.715 174.900 -0.163 0.000 1.042 159 G CA 0.004 45.058 45.100 -0.077 0.000 0.791 159 G HN 0.174 8.464 8.290 -0.000 0.000 0.502 160 L N 0.368 121.492 121.223 -0.166 0.000 2.334 160 L HA 0.574 4.913 4.340 -0.002 0.000 0.272 160 L C 0.679 177.392 176.870 -0.262 0.000 1.020 160 L CA -1.506 53.169 54.840 -0.275 0.000 0.812 160 L CB 1.134 43.108 42.059 -0.142 0.000 1.264 160 L HN 0.127 8.357 8.230 -0.000 0.000 0.439 161 H N 0.451 119.315 119.070 -0.343 0.000 2.615 161 H HA 0.297 4.852 4.556 -0.002 0.000 0.363 161 H C -0.581 174.561 175.328 -0.310 0.000 1.148 161 H CA -0.287 55.458 56.048 -0.504 0.000 1.401 161 H CB 1.066 30.120 29.762 -1.179 0.000 1.461 161 H HN 0.408 8.688 8.280 -0.000 0.000 0.588 162 T N 3.208 117.738 114.554 -0.041 0.000 2.815 162 T HA 0.234 4.583 4.350 -0.002 0.000 0.289 162 T C -0.084 174.701 174.700 0.142 0.000 1.000 162 T CA -0.686 61.466 62.100 0.086 0.000 0.958 162 T CB 0.991 69.898 68.868 0.065 0.000 0.944 162 T HN 0.234 8.474 8.240 -0.000 0.000 0.442 163 L N 5.179 126.548 121.223 0.243 0.000 2.292 163 L HA 0.617 4.956 4.340 -0.002 0.000 0.284 163 L C -1.259 175.550 176.870 -0.101 0.000 1.065 163 L CA -0.242 54.630 54.840 0.053 0.000 0.806 163 L CB 0.273 42.257 42.059 -0.126 0.000 1.175 163 L HN 0.593 8.823 8.230 -0.000 0.000 0.431 164 L N 6.212 127.323 121.223 -0.187 0.000 2.342 164 L HA 0.440 4.779 4.340 -0.002 0.000 0.276 164 L C -0.752 175.971 176.870 -0.245 0.000 0.997 164 L CA -0.445 54.318 54.840 -0.129 0.000 0.838 164 L CB 1.061 43.090 42.059 -0.049 0.000 1.224 164 L HN 0.476 8.706 8.230 -0.000 0.000 0.416 165 F N 3.333 123.233 119.950 -0.084 0.000 2.418 165 F HA 0.361 4.887 4.527 -0.002 0.000 0.341 165 F C 0.391 176.120 175.800 -0.118 0.000 1.120 165 F CA -0.216 57.727 58.000 -0.096 0.000 1.232 165 F CB 0.662 39.616 39.000 -0.078 0.000 1.175 165 F HN 0.196 8.496 8.300 -0.000 0.000 0.569 166 L N 2.060 123.316 121.223 0.054 0.000 2.307 166 L HA 0.324 4.663 4.340 -0.002 0.000 0.284 166 L C -0.225 176.590 176.870 -0.091 0.000 1.023 166 L CA -1.080 53.715 54.840 -0.076 0.000 0.810 166 L CB 1.296 43.310 42.059 -0.076 0.000 1.231 166 L HN 0.496 8.726 8.230 -0.000 0.000 0.423 167 D N 2.951 123.199 120.400 -0.253 0.000 2.419 167 D HA 0.336 4.975 4.640 -0.002 0.000 0.236 167 D C -0.411 175.792 176.300 -0.161 0.000 1.165 167 D CA 0.356 54.209 54.000 -0.246 0.000 0.882 167 D CB 0.839 41.387 40.800 -0.421 0.000 1.201 167 D HN 0.444 8.814 8.370 -0.000 0.000 0.443 168 I N -1.945 118.672 120.570 0.078 0.000 2.994 168 I HA 0.503 4.673 4.170 -0.002 0.000 0.306 168 I C -1.259 174.969 176.117 0.184 0.000 1.195 168 I CA -0.906 60.514 61.300 0.200 0.000 1.001 168 I CB 2.474 40.651 38.000 0.294 0.000 1.244 168 I HN -0.067 8.143 8.210 -0.000 0.000 0.437 169 K N 4.049 124.470 120.400 0.036 0.000 2.646 169 K HA 0.444 4.763 4.320 -0.002 0.000 0.210 169 K C 0.514 177.049 176.600 -0.108 0.000 1.020 169 K CA -0.251 56.019 56.287 -0.030 0.000 1.040 169 K CB 1.734 34.164 32.500 -0.117 0.000 1.253 169 K HN 0.883 9.133 8.250 -0.000 0.000 0.532 170 A N 2.179 125.011 122.820 0.020 0.000 1.884 170 A HA -0.237 4.082 4.320 -0.002 0.000 0.219 170 A C 1.809 179.418 177.584 0.041 0.000 1.197 170 A CA 1.626 53.718 52.037 0.091 0.000 0.637 170 A CB -0.117 19.013 19.000 0.218 0.000 0.827 170 A HN 0.557 8.707 8.150 -0.000 0.000 0.450 171 E N -0.401 119.814 120.200 0.025 0.000 2.077 171 E HA -0.174 4.175 4.350 -0.002 0.000 0.193 171 E C 1.860 178.443 176.600 -0.029 0.000 0.989 171 E CA 1.530 57.936 56.400 0.010 0.000 0.800 171 E CB -0.251 29.448 29.700 -0.001 0.000 0.746 171 E HN 0.563 8.923 8.360 -0.000 0.000 0.452 172 K N -0.084 120.270 120.400 -0.077 0.000 2.459 172 K HA 0.109 4.428 4.320 -0.002 0.000 0.193 172 K C 0.278 176.789 176.600 -0.149 0.000 1.030 172 K CA -0.004 56.216 56.287 -0.111 0.000 1.026 172 K CB 0.263 32.672 32.500 -0.151 0.000 0.809 172 K HN -0.019 8.231 8.250 -0.000 0.000 0.504 173 R N -0.024 120.359 120.500 -0.195 0.000 3.651 173 R HA -0.174 4.165 4.340 -0.002 0.000 0.292 173 R C -0.897 175.052 176.300 -0.585 0.000 1.161 173 R CA 0.735 56.666 56.100 -0.282 0.000 0.787 173 R CB -2.075 28.205 30.300 -0.033 0.000 1.249 173 R HN 0.272 8.542 8.270 -0.000 0.000 0.476 174 M N 0.752 119.955 119.600 -0.662 0.000 2.129 174 M HA 0.317 4.796 4.480 -0.002 0.000 0.348 174 M C -0.789 175.155 176.300 -0.593 0.000 1.116 174 M CA -0.152 54.864 55.300 -0.473 0.000 1.022 174 M CB 1.191 33.610 32.600 -0.301 0.000 1.599 174 M HN -0.062 8.228 8.290 -0.000 0.000 0.449 175 Y N 2.633 123.018 120.300 0.142 0.000 2.332 175 Y HA 0.406 4.955 4.550 -0.002 0.000 0.326 175 Y C 0.066 175.995 175.900 0.048 0.000 0.978 175 Y CA -0.879 57.275 58.100 0.089 0.000 1.205 175 Y CB 1.349 39.814 38.460 0.010 0.000 1.131 175 Y HN 0.656 8.936 8.280 -0.000 0.000 0.462 176 M N 4.389 124.031 119.600 0.071 0.000 2.284 176 M HA 0.096 4.575 4.480 -0.002 0.000 0.351 176 M C 0.241 176.512 176.300 -0.048 0.000 1.443 176 M CA 0.421 55.673 55.300 -0.081 0.000 1.031 176 M CB 0.398 32.725 32.600 -0.454 0.000 1.893 176 M HN 0.878 9.168 8.290 -0.000 0.000 0.456 177 T N 2.264 116.816 114.554 -0.003 0.000 2.902 177 T HA 0.563 4.913 4.350 -0.002 0.000 0.280 177 T C 1.026 175.852 174.700 0.209 0.000 0.992 177 T CA -0.427 61.701 62.100 0.047 0.000 1.015 177 T CB 1.433 70.374 68.868 0.122 0.000 1.044 177 T HN 0.739 8.979 8.240 -0.000 0.000 0.520 178 A N 1.668 124.754 122.820 0.444 0.000 1.972 178 A HA -0.097 4.222 4.320 -0.002 0.000 0.219 178 A C 2.102 179.828 177.584 0.236 0.000 1.169 178 A CA 1.741 53.901 52.037 0.205 0.000 0.635 178 A CB -1.297 17.674 19.000 -0.047 0.000 0.810 178 A HN 0.907 9.057 8.150 -0.000 0.000 0.446 179 N N 0.276 119.182 118.700 0.343 0.000 2.084 179 N HA -0.150 4.589 4.740 -0.002 0.000 0.190 179 N C 1.592 177.210 175.510 0.180 0.000 1.030 179 N CA 1.749 54.964 53.050 0.276 0.000 0.849 179 N CB -0.337 38.296 38.487 0.243 0.000 1.012 179 N HN 0.665 9.045 8.380 -0.000 0.000 0.423 180 E N 0.122 120.407 120.200 0.142 0.000 2.150 180 E HA -0.060 4.289 4.350 -0.002 0.000 0.193 180 E C 1.917 178.544 176.600 0.045 0.000 0.985 180 E CA 0.932 57.385 56.400 0.089 0.000 0.814 180 E CB -0.085 29.661 29.700 0.077 0.000 0.752 180 E HN 0.446 8.806 8.360 -0.000 0.000 0.466 181 A N 0.760 123.595 122.820 0.025 0.000 1.929 181 A HA -0.148 4.171 4.320 -0.002 0.000 0.216 181 A C 2.113 179.684 177.584 -0.021 0.000 1.176 181 A CA 1.076 53.086 52.037 -0.046 0.000 0.628 181 A CB -0.305 18.657 19.000 -0.064 0.000 0.816 181 A HN 0.120 8.270 8.150 -0.000 0.000 0.444 182 M N -0.788 118.875 119.600 0.106 0.000 2.077 182 M HA -0.136 4.343 4.480 -0.002 0.000 0.261 182 M C 2.132 178.553 176.300 0.202 0.000 1.070 182 M CA 1.399 56.845 55.300 0.243 0.000 1.125 182 M CB -0.510 32.301 32.600 0.351 0.000 1.339 182 M HN 0.362 8.652 8.290 -0.000 0.000 0.409 183 E N 0.589 120.887 120.200 0.163 0.000 2.065 183 E HA -0.256 4.093 4.350 -0.002 0.000 0.201 183 E C 2.003 178.676 176.600 0.122 0.000 1.016 183 E CA 1.479 57.965 56.400 0.142 0.000 0.818 183 E CB -0.711 29.058 29.700 0.114 0.000 0.749 183 E HN 0.351 8.711 8.360 -0.000 0.000 0.453 184 L N 0.856 122.131 121.223 0.087 0.000 2.017 184 L HA -0.154 4.185 4.340 -0.002 0.000 0.208 184 L C 2.390 179.318 176.870 0.097 0.000 1.073 184 L CA 1.438 56.338 54.840 0.099 0.000 0.745 184 L CB -0.497 41.597 42.059 0.058 0.000 0.894 184 L HN 0.072 8.302 8.230 -0.000 0.000 0.432 185 L N -1.457 119.742 121.223 -0.040 0.000 2.141 185 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 185 L C 2.448 179.343 176.870 0.042 0.000 1.094 185 L CA 0.853 55.580 54.840 -0.188 0.000 0.763 185 L CB -0.397 41.007 42.059 -1.093 0.000 0.908 185 L HN 0.306 8.536 8.230 -0.000 0.000 0.437 186 L N -0.457 120.885 121.223 0.199 0.000 2.083 186 L HA -0.229 4.110 4.340 -0.002 0.000 0.209 186 L C 2.570 179.543 176.870 0.172 0.000 1.083 186 L CA 1.363 56.385 54.840 0.302 0.000 0.752 186 L CB -0.341 41.885 42.059 0.278 0.000 0.899 186 L HN 0.227 8.457 8.230 -0.000 0.000 0.433 187 K N -0.605 119.872 120.400 0.127 0.000 2.097 187 K HA -0.113 4.206 4.320 -0.002 0.000 0.205 187 K C 1.976 178.590 176.600 0.022 0.000 1.050 187 K CA 1.078 57.417 56.287 0.086 0.000 0.938 187 K CB -0.112 32.458 32.500 0.117 0.000 0.718 187 K HN 0.120 8.370 8.250 -0.000 0.000 0.442 188 V N 1.444 121.358 119.914 0.001 0.000 2.427 188 V HA -0.213 3.906 4.120 -0.002 0.000 0.248 188 V C 2.262 178.178 176.094 -0.298 0.000 1.051 188 V CA 1.879 64.068 62.300 -0.184 0.000 1.048 188 V CB -0.422 31.268 31.823 -0.221 0.000 0.666 188 V HN 0.328 8.518 8.190 -0.000 0.000 0.456 189 E N 0.801 120.962 120.200 -0.065 0.000 2.110 189 E HA -0.231 4.118 4.350 -0.002 0.000 0.193 189 E C 1.801 178.407 176.600 0.010 0.000 0.988 189 E CA 1.599 58.036 56.400 0.062 0.000 0.804 189 E CB -0.362 29.512 29.700 0.291 0.000 0.745 189 E HN 0.550 8.910 8.360 -0.000 0.000 0.458 190 D N -0.782 119.625 120.400 0.011 0.000 2.144 190 D HA -0.128 4.511 4.640 -0.002 0.000 0.200 190 D C 1.733 178.008 176.300 -0.041 0.000 0.978 190 D CA 1.025 55.026 54.000 0.003 0.000 0.833 190 D CB -0.031 40.778 40.800 0.015 0.000 0.961 190 D HN 0.268 8.638 8.370 -0.000 0.000 0.470 191 M N 0.137 119.682 119.600 -0.091 0.000 2.160 191 M HA -0.030 4.449 4.480 -0.002 0.000 0.264 191 M C 1.917 178.131 176.300 -0.142 0.000 1.073 191 M CA 1.213 56.440 55.300 -0.123 0.000 1.142 191 M CB -0.542 31.957 32.600 -0.168 0.000 1.358 191 M HN -0.060 8.230 8.290 -0.000 0.000 0.422 192 K N 0.314 120.584 120.400 -0.217 0.000 2.284 192 K HA 0.050 4.369 4.320 -0.002 0.000 0.198 192 K C 0.191 176.758 176.600 -0.054 0.000 1.048 192 K CA 0.061 56.234 56.287 -0.191 0.000 0.987 192 K CB 0.286 32.545 32.500 -0.401 0.000 0.800 192 K HN 0.233 8.483 8.250 -0.000 0.000 0.486 193 K N -0.272 120.118 120.400 -0.016 0.000 3.077 193 K HA -0.182 4.137 4.320 -0.002 0.000 0.264 193 K C 0.638 177.305 176.600 0.112 0.000 1.008 193 K CA 0.212 56.533 56.287 0.057 0.000 0.740 193 K CB -1.962 30.553 32.500 0.025 0.000 1.273 193 K HN 0.473 8.723 8.250 -0.000 0.000 0.477 194 G N 0.109 109.046 108.800 0.228 0.000 2.880 194 G HA2 0.253 4.212 3.960 -0.002 0.000 0.209 194 G HA3 0.253 4.212 3.960 -0.002 0.000 0.209 194 G C 1.101 176.091 174.900 0.149 0.000 1.157 194 G CA 0.455 45.686 45.100 0.217 0.000 0.779 194 G HN 0.829 9.119 8.290 -0.000 0.000 0.539 195 G N -0.671 108.223 108.800 0.158 0.000 2.198 195 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.260 195 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.260 195 G C 0.905 175.855 174.900 0.083 0.000 1.025 195 G CA 0.510 45.669 45.100 0.100 0.000 0.769 195 G HN 0.518 8.808 8.290 -0.000 0.000 0.507 196 V N -1.661 118.327 119.914 0.124 0.000 2.795 196 V HA 0.432 4.551 4.120 -0.002 0.000 0.243 196 V C 0.742 176.910 176.094 0.124 0.000 1.069 196 V CA 1.576 63.883 62.300 0.011 0.000 1.089 196 V CB 0.175 31.812 31.823 -0.308 0.000 0.756 196 V HN 0.448 8.638 8.190 -0.000 0.000 0.471 197 F N 1.691 121.689 119.950 0.081 0.000 2.949 197 F HA 0.507 5.033 4.527 -0.002 0.000 0.376 197 F C 0.192 176.067 175.800 0.126 0.000 1.205 197 F CA -0.525 57.540 58.000 0.108 0.000 1.155 197 F CB 1.003 40.104 39.000 0.169 0.000 1.495 197 F HN 0.078 8.378 8.300 -0.000 0.000 0.551 198 T N -0.444 114.089 114.554 -0.035 0.000 2.905 198 T HA 0.312 4.661 4.350 -0.002 0.000 0.283 198 T C 0.817 175.469 174.700 -0.080 0.000 1.031 198 T CA -0.627 61.477 62.100 0.007 0.000 1.002 198 T CB 1.400 70.271 68.868 0.004 0.000 1.200 198 T HN 0.213 8.453 8.240 -0.000 0.000 0.560 199 D N 0.454 120.843 120.400 -0.018 0.000 2.182 199 D HA -0.080 4.559 4.640 -0.002 0.000 0.201 199 D C 1.092 177.356 176.300 -0.060 0.000 0.986 199 D CA 1.226 55.215 54.000 -0.018 0.000 0.847 199 D CB -0.094 40.703 40.800 -0.004 0.000 0.942 199 D HN 0.586 8.956 8.370 -0.000 0.000 0.467 200 D N -0.071 120.260 120.400 -0.115 0.000 2.328 200 D HA 0.006 4.645 4.640 -0.002 0.000 0.221 200 D C 0.100 176.329 176.300 -0.119 0.000 1.072 200 D CA 0.203 54.069 54.000 -0.223 0.000 0.850 200 D CB 0.243 40.878 40.800 -0.275 0.000 0.922 200 D HN 0.027 8.397 8.370 -0.000 0.000 0.516 201 T N 1.720 116.213 114.554 -0.101 0.000 2.870 201 T HA 0.145 4.494 4.350 -0.002 0.000 0.300 201 T C 0.224 174.928 174.700 0.007 0.000 0.989 201 T CA -0.475 61.559 62.100 -0.109 0.000 1.139 201 T CB 1.234 69.892 68.868 -0.349 0.000 0.920 201 T HN -0.031 8.209 8.240 -0.000 0.000 0.537 202 L N 6.644 127.904 121.223 0.062 0.000 2.319 202 L HA 0.553 4.892 4.340 -0.002 0.000 0.280 202 L C -0.211 176.604 176.870 -0.092 0.000 1.099 202 L CA -0.025 54.815 54.840 -0.001 0.000 0.828 202 L CB 0.206 42.255 42.059 -0.017 0.000 1.150 202 L HN 0.511 8.741 8.230 -0.000 0.000 0.442 203 V N 3.312 123.159 119.914 -0.111 0.000 3.126 203 V HA 0.831 4.950 4.120 -0.002 0.000 0.314 203 V C -0.832 175.194 176.094 -0.113 0.000 1.138 203 V CA -0.791 61.454 62.300 -0.092 0.000 1.034 203 V CB 2.010 33.806 31.823 -0.045 0.000 1.075 203 V HN 0.471 8.661 8.190 -0.000 0.000 0.442 204 V N 1.500 121.344 119.914 -0.118 0.000 2.638 204 V HA 0.644 4.763 4.120 -0.002 0.000 0.306 204 V C -0.508 175.467 176.094 -0.198 0.000 1.052 204 V CA -0.479 61.732 62.300 -0.149 0.000 0.885 204 V CB 1.860 33.598 31.823 -0.141 0.000 0.999 204 V HN 0.826 9.016 8.190 -0.000 0.000 0.424 205 V N 5.506 125.243 119.914 -0.294 0.000 2.495 205 V HA 0.568 4.687 4.120 -0.002 0.000 0.298 205 V C -0.744 175.137 176.094 -0.355 0.000 1.031 205 V CA -0.617 61.410 62.300 -0.455 0.000 0.871 205 V CB 1.793 33.006 31.823 -1.018 0.000 0.988 205 V HN 0.648 8.838 8.190 -0.000 0.000 0.432 206 L N 5.085 126.133 121.223 -0.290 0.000 2.372 206 L HA 0.911 5.250 4.340 -0.002 0.000 0.274 206 L C -0.120 176.639 176.870 -0.185 0.000 0.988 206 L CA -0.353 54.368 54.840 -0.198 0.000 0.833 206 L CB 1.240 43.212 42.059 -0.145 0.000 1.236 206 L HN 0.735 8.965 8.230 -0.000 0.000 0.410 207 A N 4.567 127.288 122.820 -0.165 0.000 2.331 207 A HA 0.783 5.102 4.320 -0.002 0.000 0.320 207 A C 0.180 177.758 177.584 -0.010 0.000 1.138 207 A CA -0.571 51.420 52.037 -0.076 0.000 0.790 207 A CB 0.586 19.481 19.000 -0.175 0.000 1.206 207 A HN 0.804 8.954 8.150 -0.000 0.000 0.470 208 R N -0.236 120.299 120.500 0.058 0.000 3.422 208 R HA -0.183 4.157 4.340 -0.002 0.000 0.267 208 R C 0.491 176.748 176.300 -0.072 0.000 1.074 208 R CA 0.491 56.613 56.100 0.037 0.000 0.718 208 R CB -2.346 27.961 30.300 0.012 0.000 1.157 208 R HN 1.413 9.683 8.270 -0.000 0.000 0.440 209 A N 0.168 122.968 122.820 -0.032 0.000 2.531 209 A HA 0.426 4.745 4.320 -0.002 0.000 0.236 209 A C 1.712 179.275 177.584 -0.034 0.000 1.062 209 A CA 1.115 53.121 52.037 -0.051 0.000 0.760 209 A CB 0.180 19.158 19.000 -0.036 0.000 0.995 209 A HN 1.055 9.205 8.150 -0.000 0.000 0.501 210 G N 0.646 109.410 108.800 -0.061 0.000 2.313 210 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.215 210 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.215 210 G C 0.788 175.612 174.900 -0.127 0.000 1.023 210 G CA 0.760 45.852 45.100 -0.013 0.000 0.626 210 G HN 2.131 10.421 8.290 -0.000 0.000 0.503 211 S N 0.596 116.010 115.700 -0.477 0.000 2.608 211 S HA 0.653 5.122 4.470 -0.002 0.000 0.261 211 S C 1.594 176.006 174.600 -0.314 0.000 1.314 211 S CA 0.013 57.747 58.200 -0.778 0.000 0.992 211 S CB 1.270 63.633 63.200 -1.395 0.000 0.935 211 S HN 0.482 8.792 8.310 -0.000 0.000 0.564 212 L N 0.126 121.222 121.223 -0.211 0.000 2.156 212 L HA 0.093 4.432 4.340 -0.002 0.000 0.208 212 L C 1.002 177.810 176.870 -0.103 0.000 1.095 212 L CA 0.816 55.592 54.840 -0.107 0.000 0.770 212 L CB -0.414 41.611 42.059 -0.056 0.000 0.914 212 L HN 0.630 8.860 8.230 -0.000 0.000 0.439 213 N N 0.204 118.824 118.700 -0.132 0.000 2.841 213 N HA 0.249 4.988 4.740 -0.002 0.000 0.257 213 N C -2.410 173.035 175.510 -0.109 0.000 1.396 213 N CA -1.089 51.904 53.050 -0.095 0.000 0.823 213 N CB 1.115 39.564 38.487 -0.063 0.000 1.162 213 N HN 0.020 8.400 8.380 -0.000 0.000 0.503 214 P HA 0.206 4.626 4.420 -0.000 0.000 0.276 214 P C -0.441 176.823 177.300 -0.060 0.000 1.252 214 P CA -0.171 62.867 63.100 -0.103 0.000 0.802 214 P CB 1.111 32.748 31.700 -0.105 0.000 1.035 215 T N 2.134 116.660 114.554 -0.047 0.000 2.749 215 T HA 0.431 4.780 4.350 -0.002 0.000 0.295 215 T C 0.311 174.978 174.700 -0.055 0.000 0.936 215 T CA -0.051 62.036 62.100 -0.021 0.000 1.060 215 T CB -0.341 68.544 68.868 0.028 0.000 0.904 215 T HN 0.214 8.454 8.240 -0.000 0.000 0.500 216 I N 4.641 125.189 120.570 -0.037 0.000 2.411 216 I HA 0.462 4.631 4.170 -0.002 0.000 0.284 216 I C -0.002 176.093 176.117 -0.037 0.000 1.012 216 I CA -0.828 60.442 61.300 -0.050 0.000 1.119 216 I CB 0.943 38.934 38.000 -0.015 0.000 1.261 216 I HN 0.249 8.459 8.210 -0.000 0.000 0.448 217 R N 4.623 125.084 120.500 -0.065 0.000 2.621 217 R HA 0.848 5.187 4.340 -0.002 0.000 0.284 217 R C -1.203 175.054 176.300 -0.071 0.000 0.998 217 R CA -0.925 55.161 56.100 -0.023 0.000 0.895 217 R CB 2.629 33.001 30.300 0.121 0.000 1.195 217 R HN 0.675 8.945 8.270 -0.000 0.000 0.450 218 A N 0.756 123.536 122.820 -0.068 0.000 2.393 218 A HA 0.921 5.240 4.320 -0.002 0.000 0.306 218 A C -0.426 177.070 177.584 -0.147 0.000 1.050 218 A CA -0.258 51.713 52.037 -0.111 0.000 0.724 218 A CB 2.157 21.089 19.000 -0.113 0.000 1.248 218 A HN 0.812 8.962 8.150 -0.000 0.000 0.424 219 G N -0.193 108.488 108.800 -0.199 0.000 2.320 219 G HA2 0.476 4.435 3.960 -0.002 0.000 0.296 219 G HA3 0.476 4.435 3.960 -0.002 0.000 0.296 219 G C -1.737 172.984 174.900 -0.298 0.000 1.306 219 G CA -0.745 44.156 45.100 -0.332 0.000 0.836 219 G HN 0.596 8.886 8.290 -0.000 0.000 0.517 220 Y N 0.086 120.367 120.300 -0.032 0.000 2.346 220 Y HA 0.335 4.884 4.550 -0.001 0.000 0.330 220 Y C 2.081 177.957 175.900 -0.040 0.000 1.178 220 Y CA -0.257 57.809 58.100 -0.057 0.000 1.331 220 Y CB 0.988 39.419 38.460 -0.047 0.000 1.253 220 Y HN 0.224 8.504 8.280 -0.000 0.000 0.529 221 V N 2.862 122.821 119.914 0.076 0.000 2.250 221 V HA -0.402 3.717 4.120 -0.002 0.000 0.250 221 V C 2.177 178.331 176.094 0.101 0.000 1.060 221 V CA 2.611 64.938 62.300 0.046 0.000 1.030 221 V CB -0.651 31.132 31.823 -0.067 0.000 0.643 221 V HN 0.933 9.123 8.190 -0.000 0.000 0.445 222 K N 0.009 120.464 120.400 0.093 0.000 2.160 222 K HA -0.262 4.057 4.320 -0.002 0.000 0.206 222 K C 1.442 178.096 176.600 0.090 0.000 1.047 222 K CA 2.229 58.567 56.287 0.084 0.000 0.930 222 K CB -0.432 32.103 32.500 0.060 0.000 0.720 222 K HN 0.434 8.684 8.250 -0.000 0.000 0.450 223 D N 0.738 121.205 120.400 0.112 0.000 2.277 223 D HA 0.056 4.695 4.640 -0.002 0.000 0.209 223 D C 2.007 178.355 176.300 0.079 0.000 0.970 223 D CA 0.711 54.764 54.000 0.088 0.000 0.874 223 D CB 0.171 41.028 40.800 0.094 0.000 0.982 223 D HN 0.241 8.611 8.370 -0.000 0.000 0.504 224 L N 0.373 121.669 121.223 0.121 0.000 2.354 224 L HA 0.221 4.560 4.340 -0.002 0.000 0.212 224 L C 2.363 179.361 176.870 0.213 0.000 1.091 224 L CA 0.082 55.042 54.840 0.201 0.000 0.828 224 L CB 0.091 42.337 42.059 0.310 0.000 0.973 224 L HN -0.084 8.146 8.230 -0.000 0.000 0.461 225 I N 0.377 121.054 120.570 0.178 0.000 2.399 225 I HA -0.272 3.897 4.170 -0.002 0.000 0.254 225 I C 2.279 178.461 176.117 0.109 0.000 1.146 225 I CA 1.303 62.709 61.300 0.177 0.000 1.412 225 I CB 0.023 38.118 38.000 0.159 0.000 1.076 225 I HN 0.258 8.468 8.210 -0.000 0.000 0.432 226 R N 0.473 120.999 120.500 0.044 0.000 2.362 226 R HA 0.205 4.544 4.340 -0.002 0.000 0.227 226 R C 0.256 176.495 176.300 -0.102 0.000 0.905 226 R CA -0.039 56.056 56.100 -0.007 0.000 1.067 226 R CB -0.105 30.196 30.300 0.001 0.000 1.078 226 R HN 0.452 8.722 8.270 -0.000 0.000 0.516 227 E N 1.577 121.652 120.200 -0.208 0.000 2.366 227 E HA -0.008 4.341 4.350 -0.002 0.000 0.266 227 E C -0.949 175.202 176.600 -0.747 0.000 1.051 227 E CA -0.268 55.855 56.400 -0.461 0.000 0.884 227 E CB 0.830 30.200 29.700 -0.550 0.000 1.006 227 E HN -0.135 8.225 8.360 -0.000 0.000 0.417 228 D N 2.747 122.810 120.400 -0.562 0.000 2.274 228 D HA 0.104 4.743 4.640 -0.002 0.000 0.239 228 D C -0.709 175.297 176.300 -0.490 0.000 1.104 228 D CA -0.267 53.491 54.000 -0.404 0.000 0.840 228 D CB 0.380 41.085 40.800 -0.159 0.000 1.100 228 D HN 0.307 8.677 8.370 -0.000 0.000 0.477 229 F N 2.682 122.639 119.950 0.012 0.000 2.641 229 F HA 0.428 4.954 4.527 -0.002 0.000 0.302 229 F C 1.549 177.337 175.800 -0.021 0.000 1.098 229 F CA 0.254 58.194 58.000 -0.101 0.000 1.318 229 F CB 0.134 38.911 39.000 -0.372 0.000 1.035 229 F HN 0.635 8.935 8.300 -0.000 0.000 0.551 230 G N 0.264 109.177 108.800 0.189 0.000 2.725 230 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.220 230 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.220 230 G C -0.718 174.369 174.900 0.311 0.000 1.357 230 G CA -0.955 44.261 45.100 0.192 0.000 0.866 230 G HN 0.073 8.363 8.290 -0.000 0.000 0.548 231 D N 2.193 122.720 120.400 0.211 0.000 2.362 231 D HA 0.420 5.059 4.640 -0.002 0.000 0.238 231 D C -1.273 175.140 176.300 0.188 0.000 1.212 231 D CA 0.087 54.186 54.000 0.164 0.000 0.902 231 D CB 0.452 41.314 40.800 0.104 0.000 1.180 231 D HN 0.384 8.754 8.370 -0.000 0.000 0.445 232 P HA 0.231 4.651 4.420 -0.000 0.000 0.277 232 P C -2.608 174.683 177.300 -0.014 0.000 1.271 232 P CA -1.123 61.922 63.100 -0.091 0.000 0.795 232 P CB -0.010 31.584 31.700 -0.176 0.000 1.101 233 P HA 0.267 4.687 4.420 -0.000 0.000 0.281 233 P C -0.726 176.701 177.300 0.211 0.000 1.249 233 P CA 0.025 63.140 63.100 0.026 0.000 0.810 233 P CB 0.903 32.614 31.700 0.018 0.000 1.008 234 H N 0.149 119.223 119.070 0.007 0.000 2.621 234 H HA 0.625 5.180 4.556 -0.002 0.000 0.360 234 H C -0.643 174.638 175.328 -0.079 0.000 1.163 234 H CA -0.925 55.101 56.048 -0.037 0.000 1.194 234 H CB 2.173 31.921 29.762 -0.023 0.000 1.649 234 H HN 0.276 8.556 8.280 -0.000 0.000 0.532 235 I N 2.136 122.691 120.570 -0.025 0.000 2.647 235 I HA 0.231 4.400 4.170 -0.002 0.000 0.295 235 I C -1.736 174.287 176.117 -0.157 0.000 1.078 235 I CA -0.697 60.528 61.300 -0.126 0.000 1.048 235 I CB 1.952 39.828 38.000 -0.207 0.000 1.239 235 I HN 0.355 8.565 8.210 -0.000 0.000 0.421 236 L N 7.960 129.096 121.223 -0.145 0.000 2.346 236 L HA 0.716 5.055 4.340 -0.002 0.000 0.276 236 L C -1.470 175.349 176.870 -0.084 0.000 1.006 236 L CA -0.142 54.633 54.840 -0.108 0.000 0.817 236 L CB 1.427 43.459 42.059 -0.044 0.000 1.272 236 L HN 0.465 8.695 8.230 -0.000 0.000 0.421 237 I N 5.062 125.596 120.570 -0.061 0.000 2.498 237 I HA 0.421 4.590 4.170 -0.002 0.000 0.290 237 I C -0.985 175.116 176.117 -0.026 0.000 1.032 237 I CA -0.938 60.343 61.300 -0.032 0.000 1.073 237 I CB 2.229 40.206 38.000 -0.039 0.000 1.251 237 I HN 0.205 8.415 8.210 -0.000 0.000 0.426 238 V N 7.532 127.446 119.914 0.000 0.000 2.275 238 V HA 0.292 4.411 4.120 -0.002 0.000 0.272 238 V C -2.242 173.820 176.094 -0.053 0.000 1.028 238 V CA -1.754 60.551 62.300 0.009 0.000 0.810 238 V CB 0.880 32.765 31.823 0.104 0.000 1.043 238 V HN 0.538 8.728 8.190 -0.000 0.000 0.453 239 P HA 0.234 4.654 4.420 -0.000 0.000 0.269 239 P C 0.564 177.915 177.300 0.085 0.000 1.215 239 P CA 0.371 63.412 63.100 -0.099 0.000 0.780 239 P CB 0.881 32.435 31.700 -0.242 0.000 0.898 240 G N 1.205 110.170 108.800 0.276 0.000 2.714 240 G HA2 0.288 4.247 3.960 -0.002 0.000 0.197 240 G HA3 0.288 4.247 3.960 -0.002 0.000 0.197 240 G C -0.498 174.424 174.900 0.037 0.000 1.449 240 G CA -0.440 44.680 45.100 0.032 0.000 1.065 240 G HN 0.404 8.694 8.290 -0.000 0.000 0.575 241 K N -0.099 120.293 120.400 -0.014 0.000 2.447 241 K HA 0.224 4.543 4.320 -0.002 0.000 0.281 241 K C -0.001 176.627 176.600 0.046 0.000 1.031 241 K CA 0.114 56.401 56.287 -0.000 0.000 1.019 241 K CB -0.026 32.458 32.500 -0.026 0.000 0.918 241 K HN 0.200 8.450 8.250 -0.000 0.000 0.476 242 L N 4.650 125.899 121.223 0.043 0.000 2.350 242 L HA 0.240 4.579 4.340 -0.002 0.000 0.275 242 L C 0.133 177.035 176.870 0.053 0.000 1.099 242 L CA -0.852 54.032 54.840 0.073 0.000 0.808 242 L CB 0.797 42.867 42.059 0.018 0.000 1.149 242 L HN 0.697 8.927 8.230 -0.000 0.000 0.442 243 H N 1.245 120.289 119.070 -0.043 0.000 2.629 243 H HA 0.027 4.582 4.556 -0.002 0.000 0.357 243 H C 0.763 176.082 175.328 -0.016 0.000 1.121 243 H CA -0.168 55.874 56.048 -0.011 0.000 1.406 243 H CB 1.173 30.948 29.762 0.022 0.000 1.456 243 H HN 0.504 8.784 8.280 -0.000 0.000 0.579 244 I N 2.956 123.569 120.570 0.072 0.000 2.194 244 I HA -0.238 3.931 4.170 -0.002 0.000 0.246 244 I C 2.050 178.209 176.117 0.070 0.000 1.093 244 I CA 1.332 62.663 61.300 0.051 0.000 1.355 244 I CB -0.427 37.599 38.000 0.042 0.000 1.046 244 I HN 0.527 8.737 8.210 -0.000 0.000 0.413 245 V N 0.307 120.289 119.914 0.114 0.000 2.427 245 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 245 V C 2.381 178.508 176.094 0.054 0.000 1.051 245 V CA 2.102 64.467 62.300 0.109 0.000 1.048 245 V CB -0.451 31.477 31.823 0.175 0.000 0.666 245 V HN 0.535 8.725 8.190 -0.000 0.000 0.456 246 E N 0.196 120.365 120.200 -0.052 0.000 2.058 246 E HA -0.216 4.133 4.350 -0.002 0.000 0.194 246 E C 2.295 178.884 176.600 -0.019 0.000 0.997 246 E CA 1.445 57.763 56.400 -0.136 0.000 0.801 246 E CB -0.388 29.172 29.700 -0.234 0.000 0.746 246 E HN 0.679 9.039 8.360 -0.000 0.000 0.450 247 A N 1.298 124.116 122.820 -0.004 0.000 1.933 247 A HA -0.254 4.065 4.320 -0.002 0.000 0.218 247 A C 1.925 179.524 177.584 0.024 0.000 1.175 247 A CA 1.590 53.628 52.037 0.001 0.000 0.628 247 A CB -0.456 18.543 19.000 -0.001 0.000 0.814 247 A HN 0.181 8.331 8.150 -0.000 0.000 0.444 248 E N -1.767 118.460 120.200 0.046 0.000 2.085 248 E HA -0.230 4.119 4.350 -0.002 0.000 0.194 248 E C 1.861 178.500 176.600 0.065 0.000 0.994 248 E CA 1.608 58.037 56.400 0.048 0.000 0.801 248 E CB -0.301 29.436 29.700 0.061 0.000 0.743 248 E HN 0.789 9.149 8.360 -0.000 0.000 0.453 249 Y N 0.973 121.256 120.300 -0.029 0.000 2.242 249 Y HA -0.139 4.410 4.550 -0.002 0.000 0.291 249 Y C 1.850 177.720 175.900 -0.051 0.000 1.137 249 Y CA 1.173 59.253 58.100 -0.032 0.000 1.181 249 Y CB -0.020 38.423 38.460 -0.029 0.000 0.989 249 Y HN -0.036 8.244 8.280 -0.000 0.000 0.527 250 L N -1.386 119.936 121.223 0.165 0.000 2.083 250 L HA -0.211 4.128 4.340 -0.002 0.000 0.209 250 L C 2.266 179.111 176.870 -0.043 0.000 1.083 250 L CA 0.997 55.870 54.840 0.056 0.000 0.752 250 L CB -0.663 41.394 42.059 -0.003 0.000 0.899 250 L HN 0.117 8.347 8.230 -0.000 0.000 0.433 251 V N -0.646 119.240 119.914 -0.047 0.000 2.283 251 V HA -0.194 3.925 4.120 -0.002 0.000 0.243 251 V C 2.514 178.553 176.094 -0.091 0.000 1.039 251 V CA 1.532 63.792 62.300 -0.066 0.000 1.016 251 V CB -0.379 31.417 31.823 -0.046 0.000 0.650 251 V HN 0.382 8.572 8.190 -0.000 0.000 0.449 252 E N -0.055 120.077 120.200 -0.112 0.000 2.051 252 E HA -0.135 4.214 4.350 -0.002 0.000 0.192 252 E C 2.117 178.587 176.600 -0.216 0.000 0.991 252 E CA 1.299 57.610 56.400 -0.148 0.000 0.799 252 E CB -0.120 29.491 29.700 -0.149 0.000 0.748 252 E HN 0.439 8.799 8.360 -0.000 0.000 0.449 253 I N -0.464 119.894 120.570 -0.353 0.000 3.081 253 I HA 0.048 4.217 4.170 -0.002 0.000 0.274 253 I C 1.797 177.783 176.117 -0.219 0.000 1.178 253 I CA 0.522 61.579 61.300 -0.406 0.000 1.460 253 I CB -0.728 36.714 38.000 -0.930 0.000 1.137 253 I HN -0.125 8.085 8.210 -0.000 0.000 0.443 254 A N 0.115 122.845 122.820 -0.150 0.000 2.430 254 A HA 0.510 4.829 4.320 -0.002 0.000 0.243 254 A C 1.603 179.146 177.584 -0.068 0.000 1.254 254 A CA 0.452 52.444 52.037 -0.075 0.000 0.914 254 A CB -0.434 18.547 19.000 -0.032 0.000 0.998 254 A HN 0.475 8.625 8.150 -0.000 0.000 0.515 255 G N -0.634 108.118 108.800 -0.080 0.000 2.249 255 G HA2 0.058 4.017 3.960 -0.002 0.000 0.273 255 G HA3 0.058 4.017 3.960 -0.002 0.000 0.273 255 G C 0.474 175.326 174.900 -0.079 0.000 1.036 255 G CA 0.506 45.566 45.100 -0.068 0.000 0.824 255 G HN 1.578 9.868 8.290 -0.000 0.000 0.504 256 A N -0.055 122.708 122.820 -0.095 0.000 2.386 256 A HA 0.697 5.016 4.320 -0.002 0.000 0.248 256 A C -1.361 176.145 177.584 -0.130 0.000 1.082 256 A CA -0.931 51.024 52.037 -0.137 0.000 0.789 256 A CB 0.347 19.266 19.000 -0.135 0.000 1.025 256 A HN 0.215 8.365 8.150 -0.000 0.000 0.490 257 P HA 0.086 4.506 4.420 -0.000 0.000 0.264 257 P C 0.497 177.762 177.300 -0.057 0.000 1.193 257 P CA -0.018 63.016 63.100 -0.111 0.000 0.763 257 P CB 0.434 32.040 31.700 -0.156 0.000 0.810 258 R N 3.306 123.792 120.500 -0.024 0.000 2.139 258 R HA -0.207 4.132 4.340 -0.002 0.000 0.243 258 R C 1.664 177.968 176.300 0.006 0.000 1.145 258 R CA 1.640 57.733 56.100 -0.012 0.000 0.976 258 R CB -0.446 29.851 30.300 -0.005 0.000 0.866 258 R HN 0.663 8.933 8.270 -0.000 0.000 0.449 259 E N 1.593 121.811 120.200 0.031 0.000 2.333 259 E HA -0.183 4.166 4.350 -0.002 0.000 0.198 259 E C 1.945 178.574 176.600 0.049 0.000 1.007 259 E CA 1.225 57.655 56.400 0.050 0.000 0.845 259 E CB -0.652 29.100 29.700 0.086 0.000 0.766 259 E HN 0.611 8.971 8.360 -0.000 0.000 0.507 260 I N -1.340 119.250 120.570 0.033 0.000 2.916 260 I HA -0.126 4.043 4.170 -0.002 0.000 0.267 260 I C 1.971 178.092 176.117 0.007 0.000 1.263 260 I CA 0.799 62.111 61.300 0.021 0.000 1.471 260 I CB -0.184 37.801 38.000 -0.026 0.000 1.089 260 I HN 0.008 8.218 8.210 -0.000 0.000 0.468 261 L N 0.916 122.141 121.223 0.004 0.000 2.291 261 L HA 0.025 4.364 4.340 -0.002 0.000 0.214 261 L C 1.380 178.253 176.870 0.005 0.000 1.120 261 L CA 0.697 55.540 54.840 0.004 0.000 0.799 261 L CB -0.371 41.689 42.059 0.003 0.000 0.925 261 L HN 0.226 8.456 8.230 -0.000 0.000 0.446 262 R N 0.845 121.351 120.500 0.009 0.000 3.701 262 R HA 0.054 4.393 4.340 -0.002 0.000 0.210 262 R C 1.206 177.509 176.300 0.005 0.000 1.598 262 R CA -0.173 55.931 56.100 0.007 0.000 1.427 262 R CB 0.178 30.484 30.300 0.010 0.000 1.339 262 R HN 0.164 8.434 8.270 -0.000 0.000 0.720 263 V N -1.632 118.280 119.914 -0.003 0.000 3.383 263 V HA -0.107 4.012 4.120 -0.002 0.000 0.272 263 V C 0.013 176.097 176.094 -0.016 0.000 1.181 263 V CA -0.075 62.219 62.300 -0.010 0.000 1.171 263 V CB -0.979 30.829 31.823 -0.025 0.000 0.800 263 V HN 0.650 8.840 8.190 -0.000 0.000 0.515 264 N N 0.431 119.123 118.700 -0.012 0.000 2.614 264 N HA -0.142 4.597 4.740 -0.002 0.000 0.276 264 N C 0.146 175.642 175.510 -0.023 0.000 1.119 264 N CA 1.056 54.098 53.050 -0.014 0.000 0.742 264 N CB -1.882 36.598 38.487 -0.012 0.000 0.900 264 N HN 1.015 9.395 8.380 -0.000 0.000 0.549 265 V N 0.000 119.898 119.914 -0.026 0.000 2.409 265 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 265 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 265 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 265 V HN 0.000 8.190 8.190 -0.000 0.000 0.556