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 3ll9_1_B DATA FIRST_RESID -1 DATA SEQUENCE HXXIILKLGG SVITRKDSEE PAIDRDNLER IASEIGNASP SSLXIVHGAG DATA SEQUENCE SFGHPFAGEY RIGSEIENEE DLRRRRFGFA LTQNWVKKLN SHVCDALLAE DATA SEQUENCE GIPAVSXQPS AFIRAHAGRI SHADISLIRS YLEEGXVPVV YGDVVLDSDR DATA SEQUENCE RLKFSVISGD QLINHFSLRL XPERVILGTD VDGVYTRNPK KHPDARLLDV DATA SEQUENCE IGSLDXXXXX XXXXXXXXXX GXVGKIRELL LLAEKGVESE IINAAVPGNI DATA SEQUENCE ERALLGEEVR GTRIT 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 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 -1 H C 0.000 175.338 175.328 0.016 0.000 0.993 -1 H CA 0.000 56.056 56.048 0.014 0.000 1.023 -1 H CB 0.000 29.769 29.762 0.011 0.000 1.292 3 I N 5.924 126.524 120.570 0.050 0.000 2.378 3 I HA 0.505 4.665 4.170 -0.018 0.000 0.291 3 I C -1.055 175.097 176.117 0.058 0.000 0.992 3 I CA -0.761 60.573 61.300 0.056 0.000 1.154 3 I CB 2.011 40.056 38.000 0.074 0.000 1.315 3 I HN 0.266 8.476 8.210 -0.000 0.000 0.448 4 L N 7.521 128.779 121.223 0.058 0.000 2.381 4 L HA 0.512 4.841 4.340 -0.018 0.000 0.274 4 L C -0.732 176.183 176.870 0.073 0.000 0.988 4 L CA -0.294 54.582 54.840 0.060 0.000 0.824 4 L CB 1.542 43.631 42.059 0.051 0.000 1.263 4 L HN 0.516 8.746 8.230 -0.000 0.000 0.410 5 K N 5.316 125.764 120.400 0.079 0.000 2.159 5 K HA 0.591 4.900 4.320 -0.018 0.000 0.266 5 K C -1.524 175.134 176.600 0.096 0.000 0.975 5 K CA -0.592 55.752 56.287 0.095 0.000 0.865 5 K CB 0.987 33.543 32.500 0.093 0.000 1.087 5 K HN 0.774 9.024 8.250 -0.000 0.000 0.446 6 L N 4.123 125.419 121.223 0.121 0.000 2.264 6 L HA 0.344 4.673 4.340 -0.018 0.000 0.287 6 L C 0.804 177.752 176.870 0.131 0.000 1.039 6 L CA -0.949 53.959 54.840 0.112 0.000 0.829 6 L CB 1.331 43.453 42.059 0.104 0.000 1.211 6 L HN 0.811 9.041 8.230 -0.000 0.000 0.427 7 G N 1.655 110.519 108.800 0.107 0.000 2.484 7 G HA2 0.188 4.137 3.960 -0.018 0.000 0.235 7 G HA3 0.188 4.137 3.960 -0.018 0.000 0.235 7 G C 1.027 176.002 174.900 0.125 0.000 1.282 7 G CA 0.124 45.293 45.100 0.115 0.000 0.857 7 G HN 0.837 9.127 8.290 -0.000 0.000 0.571 8 G N 0.095 108.989 108.800 0.157 0.000 2.534 8 G HA2 -0.068 3.881 3.960 -0.018 0.000 0.217 8 G HA3 -0.068 3.881 3.960 -0.018 0.000 0.217 8 G C 1.980 176.963 174.900 0.137 0.000 1.128 8 G CA 1.358 46.565 45.100 0.178 0.000 0.784 8 G HN 0.899 9.189 8.290 -0.000 0.000 0.542 9 S N 0.196 115.957 115.700 0.102 0.000 2.377 9 S HA -0.043 4.416 4.470 -0.018 0.000 0.223 9 S C 2.251 176.883 174.600 0.054 0.000 1.030 9 S CA 1.101 59.338 58.200 0.062 0.000 0.970 9 S CB -0.337 62.883 63.200 0.034 0.000 0.830 9 S HN 0.057 8.367 8.310 -0.000 0.000 0.473 10 V N 3.253 123.200 119.914 0.055 0.000 2.407 10 V HA -0.066 4.043 4.120 -0.018 0.000 0.248 10 V C 2.401 178.516 176.094 0.035 0.000 1.055 10 V CA 1.884 64.209 62.300 0.042 0.000 1.049 10 V CB -0.942 30.907 31.823 0.043 0.000 0.662 10 V HN 0.809 8.999 8.190 -0.000 0.000 0.455 11 I N -1.234 119.359 120.570 0.039 0.000 3.956 11 I HA 0.225 4.384 4.170 -0.018 0.000 0.333 11 I C 0.829 176.967 176.117 0.035 0.000 1.302 11 I CA 0.288 61.597 61.300 0.015 0.000 1.122 11 I CB 0.067 38.049 38.000 -0.030 0.000 1.013 11 I HN 0.402 8.612 8.210 -0.000 0.000 0.405 12 T N -0.533 114.072 114.554 0.085 0.000 2.942 12 T HA 0.586 4.925 4.350 -0.018 0.000 0.289 12 T C -0.277 174.484 174.700 0.100 0.000 1.044 12 T CA -0.795 61.398 62.100 0.154 0.000 1.023 12 T CB 2.468 71.508 68.868 0.287 0.000 1.123 12 T HN 0.235 8.475 8.240 -0.000 0.000 0.512 13 R N 0.680 121.236 120.500 0.094 0.000 2.494 13 R HA 0.417 4.746 4.340 -0.018 0.000 0.305 13 R C 0.656 176.958 176.300 0.003 0.000 0.959 13 R CA -0.827 55.294 56.100 0.035 0.000 0.864 13 R CB 2.008 32.320 30.300 0.020 0.000 1.159 13 R HN 0.782 9.052 8.270 -0.000 0.000 0.446 14 K N 1.424 121.813 120.400 -0.018 0.000 2.323 14 K HA -0.039 4.270 4.320 -0.018 0.000 0.197 14 K C 0.352 176.915 176.600 -0.062 0.000 1.043 14 K CA 0.523 56.783 56.287 -0.046 0.000 0.997 14 K CB 0.420 32.892 32.500 -0.047 0.000 0.807 14 K HN 0.646 8.896 8.250 -0.000 0.000 0.497 15 D N 1.167 121.539 120.400 -0.048 0.000 2.826 15 D HA -0.053 4.576 4.640 -0.018 0.000 0.229 15 D C -0.953 175.311 176.300 -0.060 0.000 1.091 15 D CA 0.227 54.197 54.000 -0.050 0.000 1.061 15 D CB 0.143 40.922 40.800 -0.036 0.000 1.155 15 D HN -0.149 8.221 8.370 -0.000 0.000 0.450 16 S N 1.330 116.979 115.700 -0.085 0.000 2.409 16 S HA 0.076 4.535 4.470 -0.018 0.000 0.308 16 S C 0.901 175.435 174.600 -0.110 0.000 1.080 16 S CA -0.631 57.502 58.200 -0.112 0.000 1.081 16 S CB 1.438 64.536 63.200 -0.170 0.000 1.009 16 S HN 0.276 8.586 8.310 -0.000 0.000 0.502 17 E N 2.611 122.763 120.200 -0.081 0.000 2.021 17 E HA -0.125 4.214 4.350 -0.018 0.000 0.200 17 E C 0.772 177.312 176.600 -0.099 0.000 1.015 17 E CA 1.359 57.718 56.400 -0.069 0.000 0.824 17 E CB 0.180 29.858 29.700 -0.038 0.000 0.762 17 E HN 0.653 9.013 8.360 -0.000 0.000 0.454 18 E N -1.048 119.087 120.200 -0.109 0.000 2.334 18 E HA 0.315 4.654 4.350 -0.018 0.000 0.256 18 E C -2.579 173.843 176.600 -0.296 0.000 0.958 18 E CA -2.579 53.712 56.400 -0.182 0.000 0.821 18 E CB 1.472 31.131 29.700 -0.068 0.000 1.269 18 E HN -0.164 8.196 8.360 -0.000 0.000 0.413 19 P HA 0.140 4.560 4.420 -0.000 0.000 0.269 19 P C -1.657 175.317 177.300 -0.542 0.000 1.209 19 P CA 0.192 62.816 63.100 -0.793 0.000 0.776 19 P CB 0.836 31.555 31.700 -1.635 0.000 0.876 20 A N 2.957 125.659 122.820 -0.197 0.000 2.549 20 A HA 0.566 4.875 4.320 -0.018 0.000 0.297 20 A C -0.646 177.141 177.584 0.339 0.000 1.061 20 A CA -0.621 51.488 52.037 0.120 0.000 0.690 20 A CB 0.815 19.828 19.000 0.022 0.000 1.287 20 A HN 0.308 8.458 8.150 -0.000 0.000 0.402 21 I N 1.412 122.129 120.570 0.245 0.000 2.948 21 I HA 0.013 4.172 4.170 -0.018 0.000 0.290 21 I C 0.534 176.681 176.117 0.049 0.000 1.226 21 I CA 0.250 61.597 61.300 0.079 0.000 1.413 21 I CB 0.251 38.190 38.000 -0.102 0.000 1.352 21 I HN 0.652 8.862 8.210 -0.000 0.000 0.597 22 D N 5.177 125.595 120.400 0.030 0.000 2.468 22 D HA 0.080 4.709 4.640 -0.018 0.000 0.218 22 D C 1.269 177.563 176.300 -0.010 0.000 1.155 22 D CA -0.261 53.746 54.000 0.012 0.000 0.924 22 D CB 0.285 41.095 40.800 0.017 0.000 1.029 22 D HN 0.453 8.823 8.370 -0.000 0.000 0.515 23 R N 2.681 123.169 120.500 -0.019 0.000 2.091 23 R HA -0.152 4.177 4.340 -0.018 0.000 0.238 23 R C 0.735 177.024 176.300 -0.017 0.000 1.136 23 R CA 1.474 57.557 56.100 -0.028 0.000 0.959 23 R CB 0.287 30.569 30.300 -0.030 0.000 0.856 23 R HN 0.283 8.553 8.270 -0.000 0.000 0.437 24 D N -0.007 120.386 120.400 -0.010 0.000 2.144 24 D HA -0.116 4.513 4.640 -0.018 0.000 0.200 24 D C 1.437 177.734 176.300 -0.005 0.000 0.978 24 D CA 0.896 54.893 54.000 -0.006 0.000 0.833 24 D CB -0.304 40.494 40.800 -0.003 0.000 0.961 24 D HN 0.229 8.599 8.370 -0.000 0.000 0.470 25 N N 0.265 118.963 118.700 -0.003 0.000 2.171 25 N HA -0.082 4.647 4.740 -0.018 0.000 0.184 25 N C 1.786 177.293 175.510 -0.006 0.000 1.021 25 N CA 0.226 53.276 53.050 0.000 0.000 0.854 25 N CB -0.266 38.225 38.487 0.006 0.000 0.994 25 N HN 0.136 8.516 8.380 -0.000 0.000 0.426 26 L N 1.904 123.117 121.223 -0.016 0.000 2.027 26 L HA -0.070 4.259 4.340 -0.018 0.000 0.206 26 L C 1.816 178.674 176.870 -0.022 0.000 1.074 26 L CA 1.765 56.589 54.840 -0.028 0.000 0.745 26 L CB -0.531 41.501 42.059 -0.046 0.000 0.898 26 L HN 0.138 8.368 8.230 -0.000 0.000 0.433 27 E N -0.957 119.233 120.200 -0.017 0.000 2.152 27 E HA -0.208 4.131 4.350 -0.018 0.000 0.192 27 E C 2.249 178.844 176.600 -0.008 0.000 0.983 27 E CA 0.750 57.142 56.400 -0.013 0.000 0.818 27 E CB -0.123 29.570 29.700 -0.011 0.000 0.758 27 E HN 0.424 8.784 8.360 -0.000 0.000 0.467 28 R N 1.161 121.658 120.500 -0.005 0.000 2.073 28 R HA -0.136 4.193 4.340 -0.018 0.000 0.234 28 R C 2.227 178.527 176.300 0.000 0.000 1.134 28 R CA 1.207 57.306 56.100 -0.001 0.000 0.952 28 R CB -0.204 30.096 30.300 0.001 0.000 0.850 28 R HN 0.104 8.374 8.270 -0.000 0.000 0.433 29 I N 1.090 121.660 120.570 -0.000 0.000 2.226 29 I HA -0.238 3.921 4.170 -0.018 0.000 0.245 29 I C 2.653 178.771 176.117 0.002 0.000 1.100 29 I CA 1.284 62.587 61.300 0.004 0.000 1.374 29 I CB -0.411 37.593 38.000 0.006 0.000 1.057 29 I HN 0.312 8.522 8.210 -0.000 0.000 0.413 30 A N 0.286 123.103 122.820 -0.004 0.000 1.892 30 A HA -0.308 4.001 4.320 -0.018 0.000 0.218 30 A C 2.517 180.099 177.584 -0.002 0.000 1.188 30 A CA 2.485 54.518 52.037 -0.006 0.000 0.631 30 A CB -1.103 17.890 19.000 -0.012 0.000 0.822 30 A HN 0.466 8.616 8.150 -0.000 0.000 0.447 31 S N -0.249 115.450 115.700 -0.002 0.000 2.374 31 S HA -0.263 4.196 4.470 -0.018 0.000 0.227 31 S C 1.805 176.406 174.600 0.002 0.000 1.037 31 S CA 1.935 60.135 58.200 -0.001 0.000 1.024 31 S CB -0.491 62.708 63.200 -0.000 0.000 0.861 31 S HN 0.661 8.971 8.310 -0.000 0.000 0.456 32 E N 0.050 120.252 120.200 0.004 0.000 2.152 32 E HA 0.014 4.353 4.350 -0.018 0.000 0.192 32 E C 1.988 178.593 176.600 0.007 0.000 0.983 32 E CA 1.195 57.599 56.400 0.006 0.000 0.818 32 E CB -0.184 29.521 29.700 0.008 0.000 0.758 32 E HN 0.616 8.976 8.360 -0.000 0.000 0.467 33 I N 0.481 121.056 120.570 0.007 0.000 2.439 33 I HA -0.116 4.044 4.170 -0.018 0.000 0.251 33 I C 2.400 178.520 176.117 0.006 0.000 1.139 33 I CA 0.825 62.130 61.300 0.009 0.000 1.438 33 I CB -0.173 37.832 38.000 0.010 0.000 1.085 33 I HN 0.124 8.334 8.210 -0.000 0.000 0.427 34 G N 0.824 109.626 108.800 0.003 0.000 2.404 34 G HA2 -0.215 3.734 3.960 -0.018 0.000 0.215 34 G HA3 -0.215 3.734 3.960 -0.018 0.000 0.215 34 G C 1.404 176.306 174.900 0.003 0.000 1.174 34 G CA 0.550 45.651 45.100 0.002 0.000 0.780 34 G HN 0.281 8.571 8.290 -0.000 0.000 0.537 35 N N 1.315 120.017 118.700 0.003 0.000 2.244 35 N HA -0.028 4.701 4.740 -0.018 0.000 0.183 35 N C 2.277 177.789 175.510 0.003 0.000 1.016 35 N CA 1.220 54.272 53.050 0.003 0.000 0.866 35 N CB -0.379 38.110 38.487 0.003 0.000 0.980 35 N HN 0.332 8.712 8.380 -0.000 0.000 0.430 36 A N -0.011 122.812 122.820 0.005 0.000 1.975 36 A HA 0.082 4.391 4.320 -0.018 0.000 0.215 36 A C 0.888 178.475 177.584 0.006 0.000 1.170 36 A CA 0.670 52.711 52.037 0.006 0.000 0.656 36 A CB -0.337 18.669 19.000 0.009 0.000 0.821 36 A HN 0.162 8.312 8.150 -0.000 0.000 0.449 37 S N 0.221 115.925 115.700 0.006 0.000 3.341 37 S HA -0.079 4.380 4.470 -0.018 0.000 0.414 37 S C -2.374 172.231 174.600 0.009 0.000 0.869 37 S CA 0.202 58.406 58.200 0.006 0.000 1.349 37 S CB -1.078 62.124 63.200 0.004 0.000 0.938 37 S HN 0.444 8.754 8.310 -0.000 0.000 0.615 38 P HA 0.283 4.703 4.420 -0.000 0.000 0.274 38 P C 0.934 178.247 177.300 0.022 0.000 1.231 38 P CA -0.081 63.031 63.100 0.019 0.000 0.790 38 P CB 0.820 32.534 31.700 0.024 0.000 0.951 39 S N -0.194 115.523 115.700 0.027 0.000 2.387 39 S HA -0.004 4.455 4.470 -0.018 0.000 0.226 39 S C 0.849 175.473 174.600 0.040 0.000 1.026 39 S CA 0.707 58.926 58.200 0.032 0.000 0.972 39 S CB -0.257 62.965 63.200 0.036 0.000 0.814 39 S HN 0.408 8.718 8.310 -0.000 0.000 0.477 40 S N 0.405 116.133 115.700 0.047 0.000 2.614 40 S HA 0.772 5.231 4.470 -0.018 0.000 0.288 40 S C -1.237 173.385 174.600 0.037 0.000 1.137 40 S CA -0.749 57.476 58.200 0.043 0.000 0.992 40 S CB 1.433 64.663 63.200 0.051 0.000 1.026 40 S HN 0.446 8.756 8.310 -0.000 0.000 0.486 44 V N 3.543 123.511 119.914 0.089 0.000 2.680 44 V HA 0.609 4.718 4.120 -0.018 0.000 0.309 44 V C -1.015 175.159 176.094 0.134 0.000 1.052 44 V CA -0.588 61.760 62.300 0.080 0.000 0.908 44 V CB 1.960 33.836 31.823 0.087 0.000 1.001 44 V HN 0.896 9.086 8.190 -0.000 0.000 0.431 45 H N 0.987 120.135 119.070 0.130 0.000 2.821 45 H HA 0.833 5.378 4.556 -0.018 0.000 0.373 45 H C 0.028 175.434 175.328 0.129 0.000 1.165 45 H CA -0.341 55.770 56.048 0.104 0.000 1.154 45 H CB 1.546 31.344 29.762 0.060 0.000 1.765 45 H HN 0.798 9.078 8.280 -0.000 0.000 0.549 46 G N -0.306 108.632 108.800 0.230 0.000 2.634 46 G HA2 0.399 4.348 3.960 -0.018 0.000 0.255 46 G HA3 0.399 4.348 3.960 -0.018 0.000 0.255 46 G C 0.533 175.599 174.900 0.277 0.000 1.205 46 G CA -0.376 44.844 45.100 0.199 0.000 0.884 46 G HN 0.968 9.258 8.290 -0.000 0.000 0.549 47 A N -0.303 122.652 122.820 0.225 0.000 2.095 47 A HA 0.488 4.797 4.320 -0.018 0.000 0.212 47 A C 2.081 179.864 177.584 0.332 0.000 1.162 47 A CA 1.514 53.707 52.037 0.260 0.000 0.753 47 A CB -0.961 18.166 19.000 0.212 0.000 0.840 47 A HN 2.327 10.477 8.150 -0.000 0.000 0.468 48 G N 0.374 109.389 108.800 0.357 0.000 2.672 48 G HA2 -0.436 3.514 3.960 -0.018 0.000 0.324 48 G HA3 -0.436 3.514 3.960 -0.018 0.000 0.324 48 G C 1.359 176.483 174.900 0.374 0.000 1.286 48 G CA 2.088 47.404 45.100 0.361 0.000 1.004 48 G HN 1.404 9.694 8.290 -0.000 0.000 0.548 49 S N -0.211 115.658 115.700 0.282 0.000 2.555 49 S HA 0.199 4.658 4.470 -0.018 0.000 0.230 49 S C 1.881 176.561 174.600 0.134 0.000 0.978 49 S CA 1.708 59.981 58.200 0.122 0.000 0.934 49 S CB -0.189 63.000 63.200 -0.018 0.000 0.766 49 S HN 0.498 8.808 8.310 -0.000 0.000 0.533 50 F N 1.632 121.697 119.950 0.192 0.000 2.743 50 F HA 0.339 4.855 4.527 -0.018 0.000 0.297 50 F C 2.273 178.307 175.800 0.390 0.000 1.131 50 F CA 0.180 58.363 58.000 0.306 0.000 1.426 50 F CB 0.026 39.192 39.000 0.277 0.000 1.116 50 F HN 0.404 8.704 8.300 -0.000 0.000 0.583 51 G N -1.319 107.751 108.800 0.450 0.000 2.797 51 G HA2 -0.019 3.930 3.960 -0.018 0.000 0.211 51 G HA3 -0.019 3.930 3.960 -0.018 0.000 0.211 51 G C 0.788 175.812 174.900 0.207 0.000 1.236 51 G CA 0.075 45.360 45.100 0.309 0.000 0.833 51 G HN 0.195 8.485 8.290 -0.000 0.000 0.624 52 H N 2.021 121.164 119.070 0.121 0.000 2.297 52 H HA -0.107 4.439 4.556 -0.018 0.000 0.289 52 H C -0.112 175.196 175.328 -0.032 0.000 1.105 52 H CA 2.792 58.868 56.048 0.046 0.000 1.219 52 H CB -1.050 28.723 29.762 0.017 0.000 1.351 52 H HN 0.326 8.606 8.280 -0.000 0.000 0.481 53 P HA -0.132 4.288 4.420 -0.000 0.000 0.216 53 P C 0.929 178.020 177.300 -0.349 0.000 1.153 53 P CA 1.322 64.234 63.100 -0.314 0.000 0.848 53 P CB -0.042 31.268 31.700 -0.650 0.000 0.787 54 F N -0.200 119.764 119.950 0.023 0.000 2.187 54 F HA 0.036 4.553 4.527 -0.017 0.000 0.295 54 F C 2.474 178.395 175.800 0.201 0.000 1.091 54 F CA 1.090 59.159 58.000 0.115 0.000 1.308 54 F CB -1.554 37.495 39.000 0.081 0.000 1.030 54 F HN -0.145 8.155 8.300 -0.000 0.000 0.487 55 A N 0.325 123.313 122.820 0.281 0.000 1.968 55 A HA 0.088 4.397 4.320 -0.018 0.000 0.217 55 A C 2.498 180.190 177.584 0.181 0.000 1.169 55 A CA 1.442 53.604 52.037 0.209 0.000 0.638 55 A CB -1.499 17.566 19.000 0.107 0.000 0.812 55 A HN 0.386 8.536 8.150 -0.000 0.000 0.446 56 G N -0.183 108.691 108.800 0.123 0.000 2.402 56 G HA2 -0.243 3.706 3.960 -0.018 0.000 0.216 56 G HA3 -0.243 3.706 3.960 -0.018 0.000 0.216 56 G C 1.416 176.351 174.900 0.059 0.000 1.162 56 G CA 1.048 46.198 45.100 0.083 0.000 0.777 56 G HN 0.673 8.963 8.290 -0.000 0.000 0.539 57 E N -0.649 119.574 120.200 0.039 0.000 2.130 57 E HA -0.191 4.148 4.350 -0.018 0.000 0.196 57 E C 1.549 178.089 176.600 -0.100 0.000 0.998 57 E CA 1.034 57.399 56.400 -0.058 0.000 0.806 57 E CB -0.233 29.408 29.700 -0.098 0.000 0.738 57 E HN 0.618 8.978 8.360 -0.000 0.000 0.459 58 Y N -0.456 119.900 120.300 0.094 0.000 2.467 58 Y HA 0.333 4.873 4.550 -0.017 0.000 0.250 58 Y C 0.032 175.999 175.900 0.112 0.000 1.155 58 Y CA -0.043 58.126 58.100 0.115 0.000 1.249 58 Y CB 0.622 39.167 38.460 0.141 0.000 1.146 58 Y HN -0.106 8.174 8.280 -0.000 0.000 0.524 59 R N 0.504 121.120 120.500 0.194 0.000 3.264 59 R HA -0.169 4.160 4.340 -0.018 0.000 0.251 59 R C -1.030 175.384 176.300 0.190 0.000 0.971 59 R CA 0.091 56.284 56.100 0.155 0.000 0.658 59 R CB -2.114 28.257 30.300 0.118 0.000 1.095 59 R HN 0.123 8.393 8.270 -0.000 0.000 0.443 60 I N 0.685 121.379 120.570 0.207 0.000 2.533 60 I HA 0.121 4.280 4.170 -0.018 0.000 0.284 60 I C 1.739 177.967 176.117 0.186 0.000 1.109 60 I CA 1.583 63.024 61.300 0.236 0.000 1.412 60 I CB 0.637 38.750 38.000 0.188 0.000 1.396 60 I HN 0.711 8.921 8.210 -0.000 0.000 0.543 61 G N 4.456 113.377 108.800 0.200 0.000 2.184 61 G HA2 -0.186 3.763 3.960 -0.018 0.000 0.206 61 G HA3 -0.186 3.763 3.960 -0.018 0.000 0.206 61 G C 0.340 175.288 174.900 0.080 0.000 0.995 61 G CA -0.145 45.028 45.100 0.122 0.000 0.651 61 G HN 0.547 8.837 8.290 -0.000 0.000 0.511 62 S N 0.559 116.316 115.700 0.094 0.000 2.638 62 S HA 0.558 5.017 4.470 -0.018 0.000 0.298 62 S C 0.211 174.841 174.600 0.051 0.000 1.111 62 S CA -0.691 57.548 58.200 0.065 0.000 1.027 62 S CB 1.502 64.746 63.200 0.075 0.000 1.064 62 S HN 0.422 8.732 8.310 -0.000 0.000 0.525 63 E N 1.099 121.316 120.200 0.028 0.000 2.437 63 E HA 0.071 4.410 4.350 -0.018 0.000 0.263 63 E C -0.640 175.976 176.600 0.026 0.000 1.030 63 E CA 0.480 56.888 56.400 0.012 0.000 0.934 63 E CB 0.363 30.068 29.700 0.007 0.000 0.943 63 E HN 0.404 8.764 8.360 -0.000 0.000 0.444 64 I N 2.831 123.408 120.570 0.012 0.000 2.330 64 I HA 0.039 4.198 4.170 -0.018 0.000 0.289 64 I C 0.753 176.882 176.117 0.020 0.000 1.001 64 I CA -0.204 61.113 61.300 0.029 0.000 1.193 64 I CB 1.275 39.287 38.000 0.020 0.000 1.345 64 I HN 0.559 8.769 8.210 -0.000 0.000 0.461 65 E N 4.116 124.334 120.200 0.030 0.000 2.016 65 E HA -0.085 4.254 4.350 -0.018 0.000 0.190 65 E C 0.207 176.820 176.600 0.021 0.000 0.985 65 E CA 1.122 57.535 56.400 0.022 0.000 0.802 65 E CB 0.178 29.892 29.700 0.024 0.000 0.762 65 E HN 0.688 9.048 8.360 -0.000 0.000 0.448 66 N N -0.420 118.298 118.700 0.030 0.000 2.469 66 N HA -0.007 4.722 4.740 -0.018 0.000 0.286 66 N C 0.347 175.878 175.510 0.036 0.000 1.275 66 N CA -0.345 52.722 53.050 0.028 0.000 0.790 66 N CB 0.878 39.380 38.487 0.026 0.000 1.446 66 N HN 0.074 8.454 8.380 -0.000 0.000 0.501 67 E N -0.123 120.095 120.200 0.031 0.000 2.267 67 E HA -0.233 4.106 4.350 -0.018 0.000 0.197 67 E C 0.203 176.833 176.600 0.050 0.000 0.998 67 E CA 1.445 57.867 56.400 0.037 0.000 0.830 67 E CB -0.004 29.713 29.700 0.028 0.000 0.751 67 E HN 0.606 8.966 8.360 -0.000 0.000 0.491 68 E N 1.002 121.230 120.200 0.047 0.000 2.076 68 E HA -0.108 4.231 4.350 -0.018 0.000 0.190 68 E C 1.584 178.229 176.600 0.074 0.000 0.979 68 E CA 1.167 57.598 56.400 0.053 0.000 0.807 68 E CB -0.110 29.613 29.700 0.039 0.000 0.761 68 E HN 0.292 8.652 8.360 -0.000 0.000 0.454 69 D N 0.310 120.756 120.400 0.075 0.000 2.137 69 D HA -0.197 4.432 4.640 -0.018 0.000 0.189 69 D C 1.899 178.285 176.300 0.143 0.000 0.998 69 D CA 0.916 54.978 54.000 0.103 0.000 0.839 69 D CB -0.504 40.350 40.800 0.090 0.000 0.962 69 D HN 0.054 8.424 8.370 -0.000 0.000 0.446 70 L N 1.258 122.556 121.223 0.124 0.000 1.991 70 L HA -0.239 4.090 4.340 -0.018 0.000 0.221 70 L C 2.222 179.196 176.870 0.174 0.000 1.079 70 L CA 1.930 56.860 54.840 0.149 0.000 0.778 70 L CB -0.451 41.663 42.059 0.091 0.000 0.893 70 L HN -0.020 8.210 8.230 -0.000 0.000 0.437 71 R N -1.079 119.501 120.500 0.133 0.000 2.139 71 R HA -0.192 4.137 4.340 -0.018 0.000 0.243 71 R C 2.503 178.911 176.300 0.180 0.000 1.145 71 R CA 1.740 57.920 56.100 0.134 0.000 0.976 71 R CB -0.372 29.985 30.300 0.095 0.000 0.866 71 R HN 0.447 8.717 8.270 -0.000 0.000 0.449 72 R N 0.442 121.065 120.500 0.204 0.000 2.075 72 R HA 0.004 4.333 4.340 -0.018 0.000 0.226 72 R C 2.198 178.733 176.300 0.392 0.000 1.114 72 R CA 0.815 57.090 56.100 0.292 0.000 0.972 72 R CB 0.111 30.566 30.300 0.260 0.000 0.869 72 R HN 0.116 8.386 8.270 -0.000 0.000 0.437 73 R N 0.052 120.754 120.500 0.337 0.000 2.115 73 R HA -0.119 4.210 4.340 -0.018 0.000 0.230 73 R C 2.315 178.636 176.300 0.035 0.000 1.111 73 R CA 1.025 57.303 56.100 0.296 0.000 0.976 73 R CB -0.277 30.261 30.300 0.396 0.000 0.870 73 R HN 0.234 8.504 8.270 -0.000 0.000 0.445 74 R N 0.294 120.849 120.500 0.091 0.000 2.075 74 R HA -0.136 4.193 4.340 -0.018 0.000 0.232 74 R C 2.029 178.284 176.300 -0.076 0.000 1.126 74 R CA 1.253 57.323 56.100 -0.050 0.000 0.963 74 R CB -0.354 30.014 30.300 0.113 0.000 0.858 74 R HN 0.136 8.406 8.270 -0.000 0.000 0.435 75 F N 0.947 120.844 119.950 -0.088 0.000 2.171 75 F HA 0.013 4.530 4.527 -0.017 0.000 0.300 75 F C 1.994 177.598 175.800 -0.328 0.000 1.090 75 F CA 1.928 59.855 58.000 -0.122 0.000 1.293 75 F CB -0.500 38.487 39.000 -0.022 0.000 1.013 75 F HN 0.128 8.428 8.300 -0.000 0.000 0.486 76 G N -0.749 107.719 108.800 -0.552 0.000 2.421 76 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.217 76 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.217 76 G C 1.628 176.156 174.900 -0.619 0.000 1.143 76 G CA 0.594 44.921 45.100 -1.288 0.000 0.784 76 G HN 0.484 8.774 8.290 -0.000 0.000 0.541 77 F N 2.304 121.880 119.950 -0.623 0.000 2.102 77 F HA 0.017 4.532 4.527 -0.020 0.000 0.298 77 F C 2.748 178.285 175.800 -0.439 0.000 1.105 77 F CA 1.625 59.287 58.000 -0.564 0.000 1.239 77 F CB -0.027 38.427 39.000 -0.910 0.000 0.991 77 F HN 0.210 8.510 8.300 -0.000 0.000 0.474 78 A N 0.128 122.837 122.820 -0.185 0.000 1.930 78 A HA -0.126 4.183 4.320 -0.018 0.000 0.217 78 A C 2.018 179.349 177.584 -0.421 0.000 1.175 78 A CA 1.630 53.514 52.037 -0.256 0.000 0.627 78 A CB -1.060 17.766 19.000 -0.289 0.000 0.815 78 A HN 0.537 8.687 8.150 -0.000 0.000 0.443 79 L N -0.570 120.316 121.223 -0.561 0.000 2.095 79 L HA -0.022 4.307 4.340 -0.018 0.000 0.204 79 L C 2.329 179.038 176.870 -0.268 0.000 1.080 79 L CA 2.758 57.331 54.840 -0.445 0.000 0.759 79 L CB -1.049 40.770 42.059 -0.401 0.000 0.914 79 L HN 0.299 8.529 8.230 -0.000 0.000 0.439 80 T N -0.543 113.851 114.554 -0.266 0.000 2.746 80 T HA -0.201 4.138 4.350 -0.018 0.000 0.267 80 T C 1.814 176.401 174.700 -0.189 0.000 1.039 80 T CA 1.473 63.473 62.100 -0.166 0.000 1.142 80 T CB -0.274 68.524 68.868 -0.117 0.000 0.866 80 T HN 0.355 8.595 8.240 -0.000 0.000 0.444 81 Q N 1.209 120.815 119.800 -0.325 0.000 2.119 81 Q HA -0.083 4.246 4.340 -0.018 0.000 0.201 81 Q C 2.208 178.107 176.000 -0.169 0.000 0.972 81 Q CA 1.374 57.016 55.803 -0.268 0.000 0.847 81 Q CB -0.495 28.029 28.738 -0.357 0.000 0.903 81 Q HN 0.443 8.713 8.270 -0.000 0.000 0.433 82 N N -0.457 118.100 118.700 -0.239 0.000 2.142 82 N HA -0.142 4.587 4.740 -0.018 0.000 0.186 82 N C 1.391 176.719 175.510 -0.302 0.000 1.023 82 N CA 1.357 54.233 53.050 -0.289 0.000 0.852 82 N CB -0.325 37.929 38.487 -0.389 0.000 0.998 82 N HN 0.222 8.602 8.380 -0.000 0.000 0.424 83 W N -0.065 121.091 121.300 -0.240 0.000 2.358 83 W HA -0.079 4.570 4.660 -0.018 0.000 0.303 83 W C 2.213 178.754 176.519 0.037 0.000 1.208 83 W CA 0.668 57.925 57.345 -0.146 0.000 1.274 83 W CB -0.470 28.699 29.460 -0.486 0.000 1.138 83 W HN -0.111 8.069 8.180 -0.000 0.000 0.515 84 V N 0.567 120.589 119.914 0.181 0.000 2.427 84 V HA -0.288 3.821 4.120 -0.018 0.000 0.248 84 V C 2.301 178.264 176.094 -0.218 0.000 1.051 84 V CA 1.940 64.280 62.300 0.067 0.000 1.048 84 V CB -0.819 31.066 31.823 0.104 0.000 0.666 84 V HN 0.170 8.360 8.190 -0.000 0.000 0.456 85 K N 0.444 120.744 120.400 -0.166 0.000 2.103 85 K HA -0.236 4.073 4.320 -0.018 0.000 0.207 85 K C 2.185 178.625 176.600 -0.267 0.000 1.048 85 K CA 1.627 57.776 56.287 -0.230 0.000 0.930 85 K CB -0.073 32.361 32.500 -0.111 0.000 0.716 85 K HN 0.422 8.672 8.250 -0.000 0.000 0.444 86 K N 0.470 120.754 120.400 -0.193 0.000 2.031 86 K HA -0.129 4.180 4.320 -0.018 0.000 0.205 86 K C 2.136 178.513 176.600 -0.371 0.000 1.049 86 K CA 0.966 57.116 56.287 -0.229 0.000 0.939 86 K CB -0.241 32.216 32.500 -0.072 0.000 0.717 86 K HN 0.067 8.317 8.250 -0.000 0.000 0.438 87 L N 2.633 123.611 121.223 -0.408 0.000 2.021 87 L HA -0.275 4.054 4.340 -0.018 0.000 0.215 87 L C 1.931 178.513 176.870 -0.480 0.000 1.074 87 L CA 1.819 56.237 54.840 -0.704 0.000 0.760 87 L CB -0.828 40.666 42.059 -0.940 0.000 0.889 87 L HN 0.292 8.522 8.230 -0.000 0.000 0.433 88 N N -1.040 117.396 118.700 -0.439 0.000 2.120 88 N HA -0.228 4.501 4.740 -0.018 0.000 0.188 88 N C 1.940 177.290 175.510 -0.266 0.000 1.024 88 N CA 1.660 54.510 53.050 -0.332 0.000 0.852 88 N CB -0.046 38.138 38.487 -0.505 0.000 1.003 88 N HN 0.658 9.038 8.380 -0.000 0.000 0.424 89 S N 0.237 115.749 115.700 -0.315 0.000 2.382 89 S HA -0.155 4.304 4.470 -0.018 0.000 0.228 89 S C 1.774 176.200 174.600 -0.290 0.000 1.027 89 S CA 0.793 58.821 58.200 -0.285 0.000 0.991 89 S CB -0.740 62.278 63.200 -0.305 0.000 0.823 89 S HN 0.426 8.736 8.310 -0.000 0.000 0.469 90 H N 1.185 120.147 119.070 -0.181 0.000 2.353 90 H HA 0.040 4.586 4.556 -0.017 0.000 0.300 90 H C 2.462 177.681 175.328 -0.182 0.000 1.090 90 H CA 1.541 57.489 56.048 -0.166 0.000 1.327 90 H CB -0.860 28.787 29.762 -0.192 0.000 1.383 90 H HN 0.345 8.625 8.280 -0.000 0.000 0.508 91 V N 0.251 120.069 119.914 -0.159 0.000 2.295 91 V HA -0.262 3.847 4.120 -0.018 0.000 0.246 91 V C 2.851 178.882 176.094 -0.106 0.000 1.049 91 V CA 1.698 63.879 62.300 -0.198 0.000 1.024 91 V CB -0.747 30.821 31.823 -0.425 0.000 0.648 91 V HN 0.457 8.647 8.190 -0.000 0.000 0.447 92 C N -0.321 118.922 119.300 -0.095 0.000 2.450 92 C HA -0.100 4.350 4.460 -0.018 0.000 0.279 92 C C 2.514 177.474 174.990 -0.051 0.000 1.335 92 C CA 0.506 59.486 59.018 -0.062 0.000 1.749 92 C CB -1.041 26.661 27.740 -0.064 0.000 1.963 92 C HN 0.598 8.828 8.230 -0.000 0.000 0.501 93 D N 1.191 121.561 120.400 -0.049 0.000 2.106 93 D HA -0.127 4.502 4.640 -0.018 0.000 0.191 93 D C 2.303 178.592 176.300 -0.017 0.000 0.997 93 D CA 1.949 55.935 54.000 -0.023 0.000 0.834 93 D CB -0.492 40.312 40.800 0.006 0.000 0.956 93 D HN 0.478 8.848 8.370 -0.000 0.000 0.448 94 A N 0.195 123.004 122.820 -0.019 0.000 1.969 94 A HA -0.089 4.220 4.320 -0.018 0.000 0.218 94 A C 2.419 179.991 177.584 -0.021 0.000 1.169 94 A CA 0.841 52.866 52.037 -0.019 0.000 0.635 94 A CB -0.583 18.401 19.000 -0.027 0.000 0.810 94 A HN 0.217 8.367 8.150 -0.000 0.000 0.445 95 L N -0.926 120.281 121.223 -0.026 0.000 2.072 95 L HA -0.093 4.236 4.340 -0.018 0.000 0.205 95 L C 2.521 179.380 176.870 -0.018 0.000 1.079 95 L CA 0.765 55.593 54.840 -0.021 0.000 0.752 95 L CB -0.540 41.506 42.059 -0.022 0.000 0.906 95 L HN 0.333 8.563 8.230 -0.000 0.000 0.436 96 L N -0.035 121.175 121.223 -0.022 0.000 1.994 96 L HA -0.204 4.125 4.340 -0.018 0.000 0.208 96 L C 2.908 179.770 176.870 -0.014 0.000 1.071 96 L CA 1.206 56.035 54.840 -0.019 0.000 0.745 96 L CB -0.814 41.231 42.059 -0.023 0.000 0.892 96 L HN 0.253 8.483 8.230 -0.000 0.000 0.431 97 A N -0.544 122.268 122.820 -0.012 0.000 2.067 97 A HA -0.235 4.074 4.320 -0.018 0.000 0.224 97 A C 1.865 179.445 177.584 -0.007 0.000 1.172 97 A CA 1.831 53.863 52.037 -0.008 0.000 0.662 97 A CB -0.376 18.620 19.000 -0.007 0.000 0.814 97 A HN 0.459 8.609 8.150 -0.000 0.000 0.468 98 E N -1.713 118.482 120.200 -0.008 0.000 2.451 98 E HA 0.291 4.630 4.350 -0.018 0.000 0.194 98 E C 1.113 177.709 176.600 -0.006 0.000 1.027 98 E CA 0.512 56.908 56.400 -0.006 0.000 0.914 98 E CB -0.153 29.544 29.700 -0.006 0.000 1.054 98 E HN 0.808 9.168 8.360 -0.000 0.000 0.461 99 G N 1.701 110.497 108.800 -0.007 0.000 2.179 99 G HA2 -0.303 3.646 3.960 -0.018 0.000 0.260 99 G HA3 -0.303 3.646 3.960 -0.018 0.000 0.260 99 G C 0.392 175.288 174.900 -0.007 0.000 0.977 99 G CA 0.099 45.195 45.100 -0.006 0.000 0.641 99 G HN 0.311 8.601 8.290 -0.000 0.000 0.533 100 I N 2.713 123.278 120.570 -0.009 0.000 2.416 100 I HA 0.268 4.427 4.170 -0.018 0.000 0.288 100 I C -1.477 174.631 176.117 -0.016 0.000 1.051 100 I CA -2.127 59.167 61.300 -0.010 0.000 1.375 100 I CB 1.280 39.274 38.000 -0.010 0.000 1.407 100 I HN -0.096 8.114 8.210 -0.000 0.000 0.516 101 P HA 0.132 4.552 4.420 -0.000 0.000 0.237 101 P C -0.439 176.835 177.300 -0.043 0.000 1.788 101 P CA -0.230 62.855 63.100 -0.024 0.000 1.061 101 P CB 0.087 31.780 31.700 -0.011 0.000 1.967 102 A N 3.109 125.900 122.820 -0.048 0.000 2.444 102 A HA 0.350 4.659 4.320 -0.018 0.000 0.273 102 A C 0.185 177.705 177.584 -0.108 0.000 1.136 102 A CA -0.141 51.858 52.037 -0.064 0.000 0.799 102 A CB 0.133 19.108 19.000 -0.042 0.000 1.081 102 A HN 0.311 8.461 8.150 -0.000 0.000 0.509 103 V N 3.904 123.710 119.914 -0.181 0.000 2.409 103 V HA 0.441 4.550 4.120 -0.018 0.000 0.291 103 V C 0.725 176.653 176.094 -0.277 0.000 1.020 103 V CA -0.086 62.039 62.300 -0.292 0.000 0.848 103 V CB 1.364 32.834 31.823 -0.589 0.000 0.990 103 V HN 1.116 9.306 8.190 -0.000 0.000 0.430 107 P HA -0.204 4.216 4.420 -0.000 0.000 0.216 107 P C 1.001 178.161 177.300 -0.234 0.000 1.154 107 P CA 2.043 64.971 63.100 -0.288 0.000 0.865 107 P CB 0.204 31.686 31.700 -0.364 0.000 0.789 108 S N -1.194 114.438 115.700 -0.113 0.000 2.547 108 S HA 0.025 4.484 4.470 -0.018 0.000 0.235 108 S C 1.784 176.419 174.600 0.058 0.000 0.980 108 S CA 0.915 59.108 58.200 -0.011 0.000 0.941 108 S CB -0.879 62.333 63.200 0.020 0.000 0.763 108 S HN 0.153 8.463 8.310 -0.000 0.000 0.532 109 A N 0.639 123.530 122.820 0.119 0.000 2.303 109 A HA 0.545 4.854 4.320 -0.018 0.000 0.217 109 A C 1.156 178.906 177.584 0.277 0.000 1.205 109 A CA 0.012 52.155 52.037 0.178 0.000 0.875 109 A CB -0.293 18.810 19.000 0.172 0.000 0.910 109 A HN 0.797 8.947 8.150 -0.000 0.000 0.501 110 F N -3.142 116.812 119.950 0.007 0.000 3.022 110 F HA 0.584 5.103 4.527 -0.013 0.000 0.351 110 F C -0.510 175.306 175.800 0.026 0.000 1.170 110 F CA -0.734 57.279 58.000 0.021 0.000 1.066 110 F CB 0.275 39.300 39.000 0.042 0.000 1.297 110 F HN -0.120 8.180 8.300 -0.000 0.000 0.519 111 I N 2.430 122.689 120.570 -0.518 0.000 2.509 111 I HA 0.515 4.674 4.170 -0.018 0.000 0.293 111 I C -0.434 175.547 176.117 -0.227 0.000 1.020 111 I CA -0.880 60.145 61.300 -0.459 0.000 1.088 111 I CB 2.146 39.767 38.000 -0.632 0.000 1.267 111 I HN 0.082 8.292 8.210 -0.000 0.000 0.430 112 R N 3.439 123.847 120.500 -0.153 0.000 2.832 112 R HA 0.864 5.194 4.340 -0.018 0.000 0.271 112 R C -0.866 175.431 176.300 -0.004 0.000 0.996 112 R CA -0.828 55.219 56.100 -0.088 0.000 0.977 112 R CB 2.347 32.544 30.300 -0.172 0.000 1.168 112 R HN 0.697 8.967 8.270 -0.000 0.000 0.482 113 A N 0.701 123.531 122.820 0.017 0.000 2.354 113 A HA 0.519 4.828 4.320 -0.018 0.000 0.321 113 A C -1.465 176.168 177.584 0.081 0.000 1.125 113 A CA -0.498 51.559 52.037 0.033 0.000 0.799 113 A CB 1.263 20.264 19.000 0.003 0.000 1.293 113 A HN 0.827 8.977 8.150 -0.000 0.000 0.452 114 H N 0.179 119.259 119.070 0.017 0.000 2.744 114 H HA 0.510 5.055 4.556 -0.019 0.000 0.339 114 H C 0.257 175.587 175.328 0.004 0.000 1.004 114 H CA 0.499 56.554 56.048 0.012 0.000 1.257 114 H CB 1.368 31.140 29.762 0.017 0.000 1.552 114 H HN 1.778 10.058 8.280 -0.000 0.000 0.522 115 A N 3.419 125.968 122.820 -0.452 0.000 2.704 115 A HA -0.070 4.239 4.320 -0.018 0.000 0.299 115 A C 1.759 179.308 177.584 -0.058 0.000 1.507 115 A CA 1.598 53.514 52.037 -0.202 0.000 0.776 115 A CB -2.177 16.773 19.000 -0.083 0.000 1.027 115 A HN 2.137 10.287 8.150 -0.000 0.000 0.475 116 G N -2.402 106.371 108.800 -0.045 0.000 2.176 116 G HA2 -0.239 3.710 3.960 -0.018 0.000 0.253 116 G HA3 -0.239 3.710 3.960 -0.018 0.000 0.253 116 G C 0.125 175.027 174.900 0.004 0.000 0.979 116 G CA 0.574 45.670 45.100 -0.007 0.000 0.641 116 G HN 1.157 9.447 8.290 -0.000 0.000 0.530 117 R N -0.000 120.509 120.500 0.016 0.000 2.514 117 R HA 0.526 4.855 4.340 -0.018 0.000 0.301 117 R C 0.588 176.892 176.300 0.007 0.000 0.962 117 R CA -1.053 55.059 56.100 0.020 0.000 0.882 117 R CB 1.176 31.504 30.300 0.047 0.000 1.143 117 R HN 0.283 8.553 8.270 -0.000 0.000 0.452 118 I N 2.527 123.067 120.570 -0.050 0.000 2.943 118 I HA -0.240 3.919 4.170 -0.018 0.000 0.296 118 I C 1.792 177.890 176.117 -0.032 0.000 1.220 118 I CA 0.676 61.895 61.300 -0.135 0.000 1.409 118 I CB 0.366 38.109 38.000 -0.428 0.000 1.374 118 I HN 0.740 8.950 8.210 -0.000 0.000 0.545 119 S N 4.904 120.627 115.700 0.038 0.000 2.398 119 S HA 0.047 4.506 4.470 -0.018 0.000 0.220 119 S C 0.373 174.981 174.600 0.012 0.000 1.046 119 S CA 0.196 58.445 58.200 0.082 0.000 0.953 119 S CB 0.066 63.397 63.200 0.218 0.000 0.856 119 S HN 0.656 8.966 8.310 -0.000 0.000 0.506 120 H N 1.000 120.037 119.070 -0.055 0.000 2.529 120 H HA 0.844 5.388 4.556 -0.020 0.000 0.348 120 H C -0.686 174.573 175.328 -0.115 0.000 1.079 120 H CA -0.596 55.430 56.048 -0.037 0.000 1.198 120 H CB 1.631 31.387 29.762 -0.009 0.000 1.521 120 H HN 0.519 8.799 8.280 -0.000 0.000 0.514 121 A N 2.362 125.224 122.820 0.069 0.000 2.446 121 A HA 0.334 4.643 4.320 -0.018 0.000 0.282 121 A C -0.886 176.895 177.584 0.328 0.000 1.102 121 A CA -0.880 51.206 52.037 0.083 0.000 0.737 121 A CB 0.526 19.452 19.000 -0.123 0.000 1.212 121 A HN 0.779 8.929 8.150 -0.000 0.000 0.434 122 D N 2.363 123.019 120.400 0.427 0.000 2.520 122 D HA 0.079 4.708 4.640 -0.018 0.000 0.243 122 D C 1.042 177.585 176.300 0.406 0.000 1.160 122 D CA 0.728 54.946 54.000 0.364 0.000 0.877 122 D CB 0.281 41.272 40.800 0.318 0.000 1.150 122 D HN 0.549 8.919 8.370 -0.000 0.000 0.494 123 I N 0.867 121.618 120.570 0.302 0.000 4.018 123 I HA 0.108 4.267 4.170 -0.018 0.000 0.337 123 I C 1.552 177.746 176.117 0.129 0.000 1.327 123 I CA -0.082 61.394 61.300 0.294 0.000 1.100 123 I CB 0.095 38.298 38.000 0.337 0.000 1.025 123 I HN 0.303 8.513 8.210 -0.000 0.000 0.396 124 S N 1.615 117.365 115.700 0.084 0.000 2.402 124 S HA -0.139 4.320 4.470 -0.018 0.000 0.229 124 S C 1.909 176.482 174.600 -0.044 0.000 1.021 124 S CA 0.932 59.143 58.200 0.019 0.000 0.974 124 S CB -0.507 62.700 63.200 0.012 0.000 0.800 124 S HN 0.486 8.796 8.310 -0.000 0.000 0.484 125 L N 1.244 122.424 121.223 -0.073 0.000 2.131 125 L HA 0.347 4.676 4.340 -0.018 0.000 0.206 125 L C 2.210 178.986 176.870 -0.156 0.000 1.087 125 L CA 1.160 55.890 54.840 -0.183 0.000 0.767 125 L CB -0.758 41.183 42.059 -0.196 0.000 0.917 125 L HN 0.343 8.573 8.230 -0.000 0.000 0.441 126 I N -0.824 119.715 120.570 -0.052 0.000 2.163 126 I HA -0.341 3.818 4.170 -0.018 0.000 0.243 126 I C 2.637 178.765 176.117 0.018 0.000 1.085 126 I CA 1.189 62.498 61.300 0.015 0.000 1.347 126 I CB -0.195 37.754 38.000 -0.085 0.000 1.044 126 I HN 0.231 8.441 8.210 -0.000 0.000 0.408 127 R N -0.029 120.468 120.500 -0.005 0.000 2.083 127 R HA -0.152 4.177 4.340 -0.018 0.000 0.237 127 R C 2.493 178.772 176.300 -0.034 0.000 1.137 127 R CA 1.843 57.941 56.100 -0.003 0.000 0.951 127 R CB -0.336 29.967 30.300 0.005 0.000 0.851 127 R HN 0.275 8.545 8.270 -0.000 0.000 0.434 128 S N -0.152 115.486 115.700 -0.103 0.000 2.368 128 S HA -0.158 4.301 4.470 -0.018 0.000 0.225 128 S C 1.628 176.136 174.600 -0.154 0.000 1.030 128 S CA 1.221 59.325 58.200 -0.160 0.000 0.999 128 S CB -0.332 62.710 63.200 -0.264 0.000 0.844 128 S HN 0.298 8.608 8.310 -0.000 0.000 0.459 129 Y N 1.739 122.005 120.300 -0.057 0.000 2.165 129 Y HA -0.072 4.476 4.550 -0.003 0.000 0.286 129 Y C 2.106 177.981 175.900 -0.042 0.000 1.155 129 Y CA 0.601 58.666 58.100 -0.057 0.000 1.164 129 Y CB -0.692 37.720 38.460 -0.080 0.000 0.978 129 Y HN 0.182 8.462 8.280 -0.000 0.000 0.513 130 L N -0.504 120.787 121.223 0.112 0.000 2.093 130 L HA -0.202 4.127 4.340 -0.018 0.000 0.208 130 L C 2.451 179.345 176.870 0.039 0.000 1.085 130 L CA 1.630 56.507 54.840 0.061 0.000 0.755 130 L CB -0.446 41.635 42.059 0.037 0.000 0.904 130 L HN 0.226 8.456 8.230 -0.000 0.000 0.435 131 E N 0.054 120.265 120.200 0.019 0.000 2.106 131 E HA -0.206 4.133 4.350 -0.018 0.000 0.192 131 E C 1.671 178.277 176.600 0.010 0.000 0.984 131 E CA 0.804 57.207 56.400 0.005 0.000 0.806 131 E CB 0.246 29.937 29.700 -0.015 0.000 0.750 131 E HN 0.300 8.660 8.360 -0.000 0.000 0.458 132 E N 0.238 120.447 120.200 0.015 0.000 2.511 132 E HA 0.072 4.411 4.350 -0.018 0.000 0.196 132 E C 0.722 177.345 176.600 0.039 0.000 1.066 132 E CA 0.701 57.115 56.400 0.023 0.000 0.871 132 E CB 0.163 29.882 29.700 0.031 0.000 0.863 132 E HN 0.396 8.756 8.360 -0.000 0.000 0.520 136 P HA 0.286 4.706 4.420 -0.000 0.000 0.268 136 P C -0.681 176.561 177.300 -0.097 0.000 1.205 136 P CA 0.126 63.130 63.100 -0.160 0.000 0.771 136 P CB 1.056 32.673 31.700 -0.138 0.000 0.858 137 V N 3.993 123.860 119.914 -0.079 0.000 2.409 137 V HA 0.327 4.436 4.120 -0.018 0.000 0.290 137 V C 0.497 176.615 176.094 0.041 0.000 1.017 137 V CA -0.657 61.658 62.300 0.024 0.000 0.841 137 V CB 1.651 33.532 31.823 0.097 0.000 1.003 137 V HN 0.449 8.639 8.190 -0.000 0.000 0.426 138 V N 2.999 122.913 119.914 0.001 0.000 3.177 138 V HA 0.911 5.020 4.120 -0.018 0.000 0.319 138 V C -0.899 175.142 176.094 -0.089 0.000 1.125 138 V CA -0.904 61.347 62.300 -0.082 0.000 1.029 138 V CB 1.869 33.643 31.823 -0.082 0.000 1.119 138 V HN 0.899 9.089 8.190 -0.000 0.000 0.452 139 Y N -1.698 118.473 120.300 -0.214 0.000 2.592 139 Y HA 0.809 5.348 4.550 -0.018 0.000 0.334 139 Y C 0.199 175.979 175.900 -0.199 0.000 1.136 139 Y CA -0.864 56.985 58.100 -0.419 0.000 1.042 139 Y CB 0.813 38.763 38.460 -0.850 0.000 1.325 139 Y HN 1.071 9.351 8.280 -0.000 0.000 0.457 140 G N 1.799 110.614 108.800 0.024 0.000 2.178 140 G HA2 0.327 4.276 3.960 -0.018 0.000 0.244 140 G HA3 0.327 4.276 3.960 -0.018 0.000 0.244 140 G C -0.935 174.013 174.900 0.080 0.000 1.213 140 G CA 0.844 45.962 45.100 0.029 0.000 0.912 140 G HN 0.750 9.040 8.290 -0.000 0.000 0.474 141 D N -0.064 120.324 120.400 -0.019 0.000 2.596 141 D HA 0.443 5.072 4.640 -0.018 0.000 0.262 141 D C -0.205 176.031 176.300 -0.106 0.000 1.210 141 D CA -0.420 53.558 54.000 -0.037 0.000 0.873 141 D CB 2.068 42.793 40.800 -0.125 0.000 1.408 141 D HN 0.552 8.922 8.370 -0.000 0.000 0.441 142 V N -0.130 119.653 119.914 -0.217 0.000 2.509 142 V HA 0.827 4.936 4.120 -0.018 0.000 0.284 142 V C 0.276 176.269 176.094 -0.168 0.000 1.047 142 V CA -0.577 61.558 62.300 -0.275 0.000 0.952 142 V CB 0.808 32.240 31.823 -0.651 0.000 0.988 142 V HN 0.475 8.665 8.190 -0.000 0.000 0.469 143 V N 2.272 122.293 119.914 0.179 0.000 3.078 143 V HA 0.632 4.741 4.120 -0.018 0.000 0.311 143 V C -0.241 176.124 176.094 0.452 0.000 1.138 143 V CA -1.182 61.299 62.300 0.301 0.000 1.007 143 V CB 1.834 33.694 31.823 0.063 0.000 1.045 143 V HN 0.953 9.143 8.190 -0.000 0.000 0.432 144 L N 2.427 123.827 121.223 0.295 0.000 2.485 144 L HA 0.347 4.676 4.340 -0.018 0.000 0.275 144 L C 0.048 176.941 176.870 0.039 0.000 1.207 144 L CA 0.563 55.479 54.840 0.126 0.000 0.855 144 L CB 0.256 42.312 42.059 -0.004 0.000 1.114 144 L HN 0.811 9.041 8.230 -0.000 0.000 0.485 145 D N 1.009 121.380 120.400 -0.049 0.000 2.492 145 D HA 0.114 4.743 4.640 -0.018 0.000 0.248 145 D C 0.643 176.863 176.300 -0.133 0.000 1.101 145 D CA -0.337 53.614 54.000 -0.083 0.000 0.840 145 D CB 1.867 42.606 40.800 -0.102 0.000 1.209 145 D HN 0.535 8.905 8.370 -0.000 0.000 0.524 146 S N 2.331 117.997 115.700 -0.057 0.000 2.603 146 S HA -0.090 4.369 4.470 -0.018 0.000 0.229 146 S C 0.634 175.207 174.600 -0.046 0.000 0.972 146 S CA -0.167 58.042 58.200 0.014 0.000 0.935 146 S CB 0.061 63.377 63.200 0.193 0.000 0.769 146 S HN 0.430 8.740 8.310 -0.000 0.000 0.536 147 D N 1.985 122.185 120.400 -0.333 0.000 2.346 147 D HA 0.154 4.783 4.640 -0.018 0.000 0.260 147 D C 0.878 177.071 176.300 -0.179 0.000 1.252 147 D CA -0.150 53.658 54.000 -0.320 0.000 0.895 147 D CB 0.634 41.138 40.800 -0.492 0.000 1.097 147 D HN 0.254 8.624 8.370 -0.000 0.000 0.489 148 R N 2.799 123.239 120.500 -0.099 0.000 2.280 148 R HA 0.018 4.347 4.340 -0.018 0.000 0.207 148 R C 1.754 177.990 176.300 -0.107 0.000 1.043 148 R CA 0.529 56.568 56.100 -0.101 0.000 1.006 148 R CB 0.366 30.633 30.300 -0.055 0.000 0.885 148 R HN 0.397 8.667 8.270 -0.000 0.000 0.467 149 R N 0.144 120.588 120.500 -0.094 0.000 2.119 149 R HA 0.014 4.344 4.340 -0.018 0.000 0.222 149 R C 1.858 178.096 176.300 -0.104 0.000 1.088 149 R CA 0.889 56.942 56.100 -0.078 0.000 0.984 149 R CB -0.065 30.205 30.300 -0.051 0.000 0.884 149 R HN 0.186 8.456 8.270 -0.000 0.000 0.447 150 L N -0.124 121.012 121.223 -0.145 0.000 2.200 150 L HA 0.094 4.423 4.340 -0.018 0.000 0.200 150 L C 1.043 177.724 176.870 -0.314 0.000 1.072 150 L CA 0.242 54.992 54.840 -0.150 0.000 0.787 150 L CB 0.008 41.994 42.059 -0.121 0.000 0.957 150 L HN -0.068 8.162 8.230 -0.000 0.000 0.459 151 K N -0.910 119.232 120.400 -0.430 0.000 3.658 151 K HA -0.227 4.082 4.320 -0.018 0.000 0.372 151 K C -0.288 175.717 176.600 -0.992 0.000 0.598 151 K CA 1.916 57.716 56.287 -0.812 0.000 1.635 151 K CB -1.414 30.326 32.500 -1.266 0.000 1.178 151 K HN 0.342 8.592 8.250 -0.000 0.000 0.470 152 F N -1.050 118.899 119.950 -0.002 0.000 2.654 152 F HA 0.642 5.158 4.527 -0.019 0.000 0.308 152 F C 0.091 175.947 175.800 0.093 0.000 1.108 152 F CA -0.902 57.151 58.000 0.089 0.000 0.957 152 F CB 2.262 41.419 39.000 0.261 0.000 1.309 152 F HN -0.233 8.067 8.300 -0.000 0.000 0.446 153 S N 0.245 116.124 115.700 0.299 0.000 2.627 153 S HA 0.754 5.213 4.470 -0.018 0.000 0.283 153 S C -1.345 173.333 174.600 0.131 0.000 1.127 153 S CA -0.808 57.489 58.200 0.162 0.000 0.863 153 S CB 2.516 65.758 63.200 0.071 0.000 1.121 153 S HN 0.422 8.732 8.310 -0.000 0.000 0.479 154 V N 2.795 122.750 119.914 0.068 0.000 2.439 154 V HA 0.436 4.545 4.120 -0.018 0.000 0.282 154 V C -0.670 175.425 176.094 0.001 0.000 1.039 154 V CA -0.519 61.791 62.300 0.015 0.000 0.913 154 V CB 1.102 32.923 31.823 -0.004 0.000 0.983 154 V HN 0.621 8.811 8.190 -0.000 0.000 0.460 155 I N 4.580 125.136 120.570 -0.024 0.000 2.339 155 I HA 0.342 4.501 4.170 -0.018 0.000 0.290 155 I C 0.586 176.685 176.117 -0.031 0.000 0.994 155 I CA 0.103 61.381 61.300 -0.037 0.000 1.191 155 I CB 1.723 39.678 38.000 -0.076 0.000 1.343 155 I HN 0.744 8.954 8.210 -0.000 0.000 0.458 156 S N 3.901 119.594 115.700 -0.011 0.000 2.632 156 S HA 0.424 4.883 4.470 -0.018 0.000 0.271 156 S C 1.405 176.019 174.600 0.023 0.000 1.260 156 S CA -0.051 58.153 58.200 0.008 0.000 1.010 156 S CB 1.608 64.824 63.200 0.027 0.000 0.965 156 S HN 0.830 9.140 8.310 -0.000 0.000 0.534 157 G N 1.222 110.047 108.800 0.041 0.000 2.547 157 G HA2 -0.281 3.668 3.960 -0.018 0.000 0.221 157 G HA3 -0.281 3.668 3.960 -0.018 0.000 0.221 157 G C 0.906 175.850 174.900 0.073 0.000 1.140 157 G CA 1.253 46.389 45.100 0.060 0.000 0.760 157 G HN 0.810 9.100 8.290 -0.000 0.000 0.583 158 D N 0.168 120.610 120.400 0.069 0.000 2.149 158 D HA -0.046 4.583 4.640 -0.018 0.000 0.201 158 D C 2.760 179.096 176.300 0.061 0.000 0.972 158 D CA 0.825 54.866 54.000 0.068 0.000 0.835 158 D CB -0.265 40.574 40.800 0.065 0.000 0.966 158 D HN 0.464 8.834 8.370 -0.000 0.000 0.476 159 Q N 0.180 120.006 119.800 0.043 0.000 2.119 159 Q HA -0.041 4.288 4.340 -0.018 0.000 0.201 159 Q C 2.488 178.510 176.000 0.037 0.000 0.972 159 Q CA 0.615 56.435 55.803 0.029 0.000 0.847 159 Q CB -0.012 28.725 28.738 -0.002 0.000 0.903 159 Q HN 0.301 8.571 8.270 -0.000 0.000 0.433 160 L N 0.212 121.471 121.223 0.059 0.000 2.046 160 L HA -0.190 4.139 4.340 -0.018 0.000 0.208 160 L C 2.355 179.374 176.870 0.249 0.000 1.077 160 L CA 0.669 55.600 54.840 0.151 0.000 0.747 160 L CB -0.360 41.818 42.059 0.198 0.000 0.896 160 L HN 0.305 8.535 8.230 -0.000 0.000 0.432 161 I N 0.384 121.060 120.570 0.177 0.000 2.179 161 I HA -0.298 3.861 4.170 -0.018 0.000 0.242 161 I C 2.403 178.602 176.117 0.136 0.000 1.088 161 I CA 1.485 62.884 61.300 0.166 0.000 1.357 161 I CB -0.987 37.081 38.000 0.112 0.000 1.051 161 I HN 0.426 8.636 8.210 -0.000 0.000 0.409 162 N N 0.704 119.459 118.700 0.092 0.000 2.058 162 N HA -0.273 4.456 4.740 -0.018 0.000 0.191 162 N C 2.040 177.565 175.510 0.025 0.000 1.037 162 N CA 2.143 55.225 53.050 0.054 0.000 0.848 162 N CB -0.522 37.989 38.487 0.040 0.000 1.021 162 N HN 0.416 8.796 8.380 -0.000 0.000 0.422 163 H N -1.169 117.837 119.070 -0.107 0.000 2.319 163 H HA -0.051 4.493 4.556 -0.020 0.000 0.299 163 H C 1.690 176.862 175.328 -0.261 0.000 1.092 163 H CA 2.352 58.248 56.048 -0.254 0.000 1.302 163 H CB -0.374 29.120 29.762 -0.447 0.000 1.373 163 H HN 0.280 8.560 8.280 -0.000 0.000 0.497 164 F N -0.620 119.429 119.950 0.165 0.000 2.293 164 F HA -0.074 4.441 4.527 -0.020 0.000 0.297 164 F C 2.694 178.521 175.800 0.045 0.000 1.089 164 F CA 0.762 58.830 58.000 0.113 0.000 1.377 164 F CB 0.043 39.126 39.000 0.138 0.000 1.051 164 F HN 0.119 8.419 8.300 -0.000 0.000 0.511 165 S N 0.516 116.330 115.700 0.189 0.000 2.387 165 S HA -0.147 4.312 4.470 -0.018 0.000 0.226 165 S C 1.929 176.558 174.600 0.048 0.000 1.026 165 S CA 0.743 59.008 58.200 0.109 0.000 0.972 165 S CB -0.489 62.761 63.200 0.083 0.000 0.814 165 S HN 0.250 8.560 8.310 -0.000 0.000 0.477 166 L N 2.111 123.332 121.223 -0.003 0.000 2.012 166 L HA -0.087 4.242 4.340 -0.018 0.000 0.210 166 L C 2.103 178.949 176.870 -0.039 0.000 1.073 166 L CA 1.838 56.649 54.840 -0.048 0.000 0.748 166 L CB -0.305 41.683 42.059 -0.119 0.000 0.891 166 L HN 0.117 8.347 8.230 -0.000 0.000 0.431 167 R N -1.425 119.052 120.500 -0.037 0.000 2.210 167 R HA 0.207 4.536 4.340 -0.018 0.000 0.203 167 R C 0.474 176.809 176.300 0.059 0.000 1.010 167 R CA 0.072 56.168 56.100 -0.006 0.000 1.008 167 R CB -0.005 30.283 30.300 -0.019 0.000 0.923 167 R HN 0.301 8.571 8.270 -0.000 0.000 0.469 171 E N 0.257 120.468 120.200 0.019 0.000 2.085 171 E HA -0.093 4.246 4.350 -0.018 0.000 0.194 171 E C 0.090 176.711 176.600 0.036 0.000 0.994 171 E CA 1.111 57.528 56.400 0.029 0.000 0.801 171 E CB 0.296 30.028 29.700 0.054 0.000 0.743 171 E HN 0.217 8.577 8.360 -0.000 0.000 0.453 172 R N -0.750 119.775 120.500 0.040 0.000 2.698 172 R HA 0.428 4.757 4.340 -0.018 0.000 0.275 172 R C -1.606 174.719 176.300 0.042 0.000 1.001 172 R CA -0.669 55.455 56.100 0.039 0.000 0.896 172 R CB 2.658 32.981 30.300 0.039 0.000 1.218 172 R HN -0.154 8.116 8.270 -0.000 0.000 0.462 173 V N 4.468 124.407 119.914 0.041 0.000 2.407 173 V HA 0.499 4.608 4.120 -0.018 0.000 0.291 173 V C -0.383 175.737 176.094 0.044 0.000 1.018 173 V CA -0.566 61.763 62.300 0.048 0.000 0.842 173 V CB 1.622 33.474 31.823 0.049 0.000 0.996 173 V HN 0.580 8.770 8.190 -0.000 0.000 0.426 174 I N 5.945 126.544 120.570 0.047 0.000 2.436 174 I HA 0.460 4.619 4.170 -0.018 0.000 0.289 174 I C -1.083 175.064 176.117 0.051 0.000 1.010 174 I CA -0.607 60.719 61.300 0.044 0.000 1.098 174 I CB 2.016 40.039 38.000 0.040 0.000 1.266 174 I HN 0.379 8.589 8.210 -0.000 0.000 0.434 175 L N 6.151 127.404 121.223 0.050 0.000 2.276 175 L HA 0.524 4.853 4.340 -0.018 0.000 0.286 175 L C 0.594 177.497 176.870 0.054 0.000 1.024 175 L CA -0.069 54.805 54.840 0.057 0.000 0.826 175 L CB 1.415 43.509 42.059 0.059 0.000 1.211 175 L HN 0.634 8.864 8.230 -0.000 0.000 0.422 176 G N 1.214 110.049 108.800 0.058 0.000 2.350 176 G HA2 0.469 4.418 3.960 -0.018 0.000 0.306 176 G HA3 0.469 4.418 3.960 -0.018 0.000 0.306 176 G C -0.211 174.726 174.900 0.061 0.000 1.094 176 G CA -0.082 45.050 45.100 0.054 0.000 0.953 176 G HN 0.444 8.734 8.290 -0.000 0.000 0.420 177 T N 0.159 114.748 114.554 0.059 0.000 2.841 177 T HA 0.383 4.722 4.350 -0.018 0.000 0.276 177 T C 0.852 175.587 174.700 0.059 0.000 1.003 177 T CA -0.157 61.982 62.100 0.064 0.000 0.995 177 T CB 1.560 70.470 68.868 0.070 0.000 1.260 177 T HN 0.461 8.701 8.240 -0.000 0.000 0.581 178 D N 0.242 120.677 120.400 0.058 0.000 2.349 178 D HA 0.116 4.745 4.640 -0.018 0.000 0.214 178 D C 0.833 177.168 176.300 0.058 0.000 1.063 178 D CA 0.029 54.059 54.000 0.049 0.000 0.847 178 D CB -0.509 40.313 40.800 0.036 0.000 0.933 178 D HN 0.370 8.740 8.370 -0.000 0.000 0.513 179 V N -3.076 116.888 119.914 0.084 0.000 3.166 179 V HA 0.452 4.561 4.120 -0.018 0.000 0.317 179 V C 0.582 176.762 176.094 0.144 0.000 1.136 179 V CA -0.734 61.645 62.300 0.131 0.000 1.035 179 V CB 1.704 33.634 31.823 0.179 0.000 1.110 179 V HN -0.329 7.861 8.190 -0.000 0.000 0.450 180 D N 0.696 121.216 120.400 0.200 0.000 2.277 180 D HA 0.370 4.999 4.640 -0.018 0.000 0.208 180 D C 0.695 177.006 176.300 0.019 0.000 0.962 180 D CA 1.910 55.968 54.000 0.096 0.000 0.865 180 D CB 0.603 41.453 40.800 0.083 0.000 0.939 180 D HN 1.095 9.465 8.370 -0.000 0.000 0.510 181 G N -1.414 107.402 108.800 0.027 0.000 2.321 181 G HA2 0.276 4.225 3.960 -0.018 0.000 0.296 181 G HA3 0.276 4.225 3.960 -0.018 0.000 0.296 181 G C -1.463 173.427 174.900 -0.016 0.000 1.287 181 G CA -0.698 44.363 45.100 -0.065 0.000 0.846 181 G HN -0.081 8.209 8.290 -0.000 0.000 0.508 182 V N 0.596 120.485 119.914 -0.042 0.000 2.583 182 V HA 0.505 4.614 4.120 -0.018 0.000 0.287 182 V C -0.418 175.654 176.094 -0.036 0.000 1.051 182 V CA -0.016 62.311 62.300 0.046 0.000 1.010 182 V CB 0.406 32.248 31.823 0.033 0.000 0.988 182 V HN 0.563 8.753 8.190 -0.000 0.000 0.478 183 Y N 1.010 121.325 120.300 0.023 0.000 2.602 183 Y HA 0.297 4.836 4.550 -0.018 0.000 0.330 183 Y C 1.834 177.744 175.900 0.017 0.000 1.114 183 Y CA -0.480 57.633 58.100 0.022 0.000 1.182 183 Y CB 1.561 40.039 38.460 0.029 0.000 1.305 183 Y HN 0.715 8.995 8.280 -0.000 0.000 0.502 184 T N -1.740 112.933 114.554 0.200 0.000 2.946 184 T HA 0.058 4.397 4.350 -0.018 0.000 0.271 184 T C 0.394 175.135 174.700 0.069 0.000 1.104 184 T CA 1.108 63.266 62.100 0.095 0.000 1.114 184 T CB -0.152 68.753 68.868 0.062 0.000 0.867 184 T HN 0.601 8.841 8.240 -0.000 0.000 0.513 185 R N -0.340 120.226 120.500 0.109 0.000 2.712 185 R HA 0.358 4.687 4.340 -0.018 0.000 0.272 185 R C -1.578 174.785 176.300 0.105 0.000 1.032 185 R CA -0.999 55.135 56.100 0.056 0.000 0.874 185 R CB 0.448 30.712 30.300 -0.061 0.000 1.256 185 R HN -0.024 8.246 8.270 -0.000 0.000 0.468 186 N N 3.341 122.148 118.700 0.180 0.000 2.416 186 N HA 0.038 4.767 4.740 -0.018 0.000 0.271 186 N C -1.794 173.707 175.510 -0.016 0.000 1.245 186 N CA -1.457 51.642 53.050 0.081 0.000 0.940 186 N CB 0.723 39.263 38.487 0.088 0.000 1.175 186 N HN 0.290 8.670 8.380 -0.000 0.000 0.483 187 P HA 0.013 4.433 4.420 -0.000 0.000 0.252 187 P C -0.067 177.086 177.300 -0.245 0.000 1.265 187 P CA 0.730 63.603 63.100 -0.378 0.000 0.775 187 P CB 0.178 31.242 31.700 -1.061 0.000 1.128 188 K N -0.450 119.845 120.400 -0.175 0.000 2.402 188 K HA 0.197 4.506 4.320 -0.018 0.000 0.204 188 K C 1.308 177.808 176.600 -0.166 0.000 1.056 188 K CA 0.129 56.330 56.287 -0.145 0.000 1.069 188 K CB 0.718 33.150 32.500 -0.114 0.000 0.888 188 K HN 0.006 8.256 8.250 -0.000 0.000 0.546 189 K N -0.307 119.948 120.400 -0.241 0.000 2.481 189 K HA 0.155 4.464 4.320 -0.018 0.000 0.210 189 K C -0.503 175.692 176.600 -0.676 0.000 1.161 189 K CA 0.038 56.059 56.287 -0.444 0.000 1.023 189 K CB 1.001 33.145 32.500 -0.593 0.000 0.971 189 K HN 0.003 8.253 8.250 -0.000 0.000 0.577 190 H N -0.162 118.872 119.070 -0.061 0.000 3.078 190 H HA 0.172 4.716 4.556 -0.018 0.000 0.319 190 H C -2.387 172.912 175.328 -0.048 0.000 0.995 190 H CA -1.902 54.119 56.048 -0.044 0.000 1.417 190 H CB 1.827 31.568 29.762 -0.034 0.000 1.598 190 H HN -0.176 8.104 8.280 -0.000 0.000 0.515 191 P HA -0.136 4.284 4.420 -0.000 0.000 0.218 191 P C 1.031 178.359 177.300 0.046 0.000 1.149 191 P CA 1.213 64.331 63.100 0.030 0.000 0.817 191 P CB 0.369 32.082 31.700 0.021 0.000 0.785 192 D N -1.084 119.355 120.400 0.065 0.000 2.325 192 D HA 0.092 4.721 4.640 -0.018 0.000 0.234 192 D C 0.289 176.633 176.300 0.073 0.000 1.122 192 D CA -0.309 53.725 54.000 0.058 0.000 0.850 192 D CB -0.846 39.978 40.800 0.041 0.000 0.921 192 D HN -0.018 8.352 8.370 -0.000 0.000 0.513 193 A N 1.127 123.999 122.820 0.086 0.000 2.524 193 A HA 0.271 4.580 4.320 -0.018 0.000 0.250 193 A C 0.386 178.120 177.584 0.249 0.000 1.078 193 A CA -0.205 51.907 52.037 0.127 0.000 0.761 193 A CB 0.318 19.339 19.000 0.035 0.000 1.012 193 A HN 0.060 8.210 8.150 -0.000 0.000 0.500 194 R N 1.778 122.430 120.500 0.254 0.000 2.460 194 R HA 0.368 4.697 4.340 -0.018 0.000 0.303 194 R C -0.804 175.567 176.300 0.118 0.000 0.968 194 R CA -1.085 55.137 56.100 0.203 0.000 0.889 194 R CB 1.209 31.559 30.300 0.083 0.000 1.123 194 R HN 0.658 8.928 8.270 -0.000 0.000 0.455 195 L N 3.550 124.688 121.223 -0.142 0.000 2.418 195 L HA 0.184 4.513 4.340 -0.018 0.000 0.274 195 L C -0.540 176.180 176.870 -0.250 0.000 1.135 195 L CA 0.313 54.812 54.840 -0.567 0.000 0.870 195 L CB 0.188 41.921 42.059 -0.543 0.000 1.154 195 L HN 0.442 8.672 8.230 -0.000 0.000 0.462 196 L N 5.309 126.402 121.223 -0.216 0.000 2.326 196 L HA 0.252 4.581 4.340 -0.018 0.000 0.278 196 L C 0.894 177.701 176.870 -0.105 0.000 1.092 196 L CA -0.278 54.498 54.840 -0.106 0.000 0.810 196 L CB 0.906 42.929 42.059 -0.060 0.000 1.153 196 L HN 0.622 8.852 8.230 -0.000 0.000 0.439 197 D N 1.178 121.537 120.400 -0.069 0.000 2.346 197 D HA 0.120 4.749 4.640 -0.018 0.000 0.206 197 D C -0.213 176.066 176.300 -0.035 0.000 1.001 197 D CA 0.615 54.582 54.000 -0.055 0.000 0.871 197 D CB 0.769 41.544 40.800 -0.042 0.000 0.943 197 D HN 0.164 8.534 8.370 -0.000 0.000 0.518 198 V N 1.021 120.918 119.914 -0.028 0.000 3.120 198 V HA 0.409 4.518 4.120 -0.018 0.000 0.303 198 V C -0.422 175.664 176.094 -0.012 0.000 1.238 198 V CA -0.900 61.391 62.300 -0.016 0.000 1.008 198 V CB 3.050 34.867 31.823 -0.010 0.000 1.064 198 V HN -0.154 8.036 8.190 -0.000 0.000 0.434 199 I N 0.970 121.537 120.570 -0.005 0.000 2.785 199 I HA 0.717 4.876 4.170 -0.018 0.000 0.302 199 I C 0.881 177.000 176.117 0.004 0.000 1.069 199 I CA -0.407 60.894 61.300 0.001 0.000 1.045 199 I CB 2.344 40.347 38.000 0.005 0.000 1.236 199 I HN 0.806 9.015 8.210 -0.000 0.000 0.429 200 G N 1.806 110.609 108.800 0.005 0.000 2.512 200 G HA2 0.172 4.121 3.960 -0.018 0.000 0.193 200 G HA3 0.172 4.121 3.960 -0.018 0.000 0.193 200 G C 0.071 174.975 174.900 0.007 0.000 1.278 200 G CA 0.293 45.396 45.100 0.005 0.000 0.722 200 G HN 0.547 8.837 8.290 -0.000 0.000 0.925 201 S N -0.748 114.957 115.700 0.008 0.000 2.638 201 S HA 0.591 5.050 4.470 -0.018 0.000 0.274 201 S C -0.872 173.735 174.600 0.012 0.000 1.157 201 S CA -0.703 57.502 58.200 0.009 0.000 0.826 201 S CB 0.737 63.941 63.200 0.007 0.000 1.139 201 S HN 0.223 8.533 8.310 -0.000 0.000 0.474 202 L N 3.254 124.485 121.223 0.013 0.000 2.628 202 L HA 0.179 4.508 4.340 -0.018 0.000 0.274 202 L C -0.106 176.771 176.870 0.011 0.000 1.209 202 L CA 0.235 55.084 54.840 0.015 0.000 0.930 202 L CB -0.307 41.762 42.059 0.016 0.000 1.183 202 L HN 0.616 8.846 8.230 -0.000 0.000 0.492 222 G N 0.972 109.803 108.800 0.051 0.000 2.679 222 G HA2 -0.432 3.517 3.960 -0.018 0.000 0.222 222 G HA3 -0.432 3.517 3.960 -0.018 0.000 0.222 222 G C 1.370 176.302 174.900 0.053 0.000 1.164 222 G CA 2.140 47.272 45.100 0.053 0.000 0.769 222 G HN 0.515 8.805 8.290 -0.000 0.000 0.610 223 K N -0.040 120.395 120.400 0.059 0.000 2.063 223 K HA -0.050 4.259 4.320 -0.018 0.000 0.208 223 K C 2.572 179.202 176.600 0.050 0.000 1.048 223 K CA 1.408 57.730 56.287 0.059 0.000 0.928 223 K CB -0.247 32.293 32.500 0.065 0.000 0.713 223 K HN 0.405 8.655 8.250 -0.000 0.000 0.442 224 I N 0.963 121.561 120.570 0.047 0.000 2.546 224 I HA -0.205 3.954 4.170 -0.018 0.000 0.255 224 I C 2.251 178.389 176.117 0.034 0.000 1.163 224 I CA 0.849 62.173 61.300 0.040 0.000 1.457 224 I CB -0.037 37.987 38.000 0.039 0.000 1.092 224 I HN 0.128 8.338 8.210 -0.000 0.000 0.434 225 R N 0.174 120.695 120.500 0.035 0.000 2.066 225 R HA -0.158 4.171 4.340 -0.018 0.000 0.232 225 R C 2.126 178.443 176.300 0.028 0.000 1.131 225 R CA 1.238 57.356 56.100 0.029 0.000 0.955 225 R CB -0.519 29.799 30.300 0.030 0.000 0.851 225 R HN 0.188 8.458 8.270 -0.000 0.000 0.432 226 E N 1.696 121.915 120.200 0.033 0.000 2.023 226 E HA -0.141 4.198 4.350 -0.018 0.000 0.196 226 E C 1.983 178.602 176.600 0.030 0.000 1.003 226 E CA 1.352 57.772 56.400 0.033 0.000 0.809 226 E CB -0.316 29.408 29.700 0.040 0.000 0.755 226 E HN 0.228 8.588 8.360 -0.000 0.000 0.449 227 L N 0.073 121.316 121.223 0.034 0.000 2.187 227 L HA -0.188 4.141 4.340 -0.018 0.000 0.213 227 L C 2.478 179.362 176.870 0.024 0.000 1.100 227 L CA 0.778 55.637 54.840 0.031 0.000 0.765 227 L CB -0.387 41.693 42.059 0.034 0.000 0.904 227 L HN 0.237 8.467 8.230 -0.000 0.000 0.437 228 L N -0.807 120.429 121.223 0.022 0.000 2.217 228 L HA -0.170 4.159 4.340 -0.018 0.000 0.211 228 L C 2.438 179.315 176.870 0.012 0.000 1.107 228 L CA 0.665 55.515 54.840 0.017 0.000 0.783 228 L CB -0.214 41.855 42.059 0.017 0.000 0.919 228 L HN 0.268 8.498 8.230 -0.000 0.000 0.442 229 L N -0.724 120.507 121.223 0.013 0.000 2.042 229 L HA -0.257 4.072 4.340 -0.018 0.000 0.210 229 L C 2.513 179.385 176.870 0.002 0.000 1.076 229 L CA 0.969 55.813 54.840 0.007 0.000 0.749 229 L CB -0.446 41.618 42.059 0.008 0.000 0.893 229 L HN 0.277 8.507 8.230 -0.000 0.000 0.432 230 L N -0.041 121.187 121.223 0.007 0.000 2.044 230 L HA -0.053 4.276 4.340 -0.018 0.000 0.205 230 L C 2.594 179.467 176.870 0.005 0.000 1.075 230 L CA 1.960 56.803 54.840 0.005 0.000 0.747 230 L CB -0.748 41.320 42.059 0.015 0.000 0.903 230 L HN 0.111 8.341 8.230 -0.000 0.000 0.435 231 A N -0.845 121.981 122.820 0.009 0.000 1.933 231 A HA -0.155 4.154 4.320 -0.018 0.000 0.218 231 A C 2.087 179.674 177.584 0.004 0.000 1.175 231 A CA 1.523 53.565 52.037 0.008 0.000 0.628 231 A CB -0.554 18.452 19.000 0.010 0.000 0.814 231 A HN 0.548 8.698 8.150 -0.000 0.000 0.444 232 E N 0.317 120.519 120.200 0.003 0.000 2.268 232 E HA -0.114 4.225 4.350 -0.018 0.000 0.195 232 E C 0.819 177.417 176.600 -0.004 0.000 0.995 232 E CA 0.758 57.158 56.400 -0.000 0.000 0.836 232 E CB -0.114 29.586 29.700 0.000 0.000 0.763 232 E HN 0.542 8.902 8.360 -0.000 0.000 0.491 233 K N -0.174 120.222 120.400 -0.007 0.000 2.469 233 K HA 0.157 4.466 4.320 -0.018 0.000 0.201 233 K C 0.876 177.471 176.600 -0.008 0.000 1.028 233 K CA 0.477 56.758 56.287 -0.011 0.000 1.170 233 K CB 0.738 33.226 32.500 -0.020 0.000 0.874 233 K HN 0.168 8.418 8.250 -0.000 0.000 0.507 234 G N 0.884 109.682 108.800 -0.003 0.000 2.132 234 G HA2 -0.224 3.725 3.960 -0.018 0.000 0.234 234 G HA3 -0.224 3.725 3.960 -0.018 0.000 0.234 234 G C -0.075 174.826 174.900 0.002 0.000 0.989 234 G CA -0.017 45.083 45.100 -0.001 0.000 0.676 234 G HN 0.140 8.430 8.290 -0.000 0.000 0.522 235 V N 0.441 120.357 119.914 0.004 0.000 2.448 235 V HA 0.579 4.688 4.120 -0.018 0.000 0.295 235 V C 0.133 176.236 176.094 0.014 0.000 1.025 235 V CA -0.923 61.383 62.300 0.010 0.000 0.859 235 V CB 1.793 33.623 31.823 0.012 0.000 0.988 235 V HN 0.357 8.547 8.190 -0.000 0.000 0.431 236 E N 2.282 122.492 120.200 0.016 0.000 2.214 236 E HA 0.682 5.021 4.350 -0.018 0.000 0.274 236 E C -0.526 176.087 176.600 0.022 0.000 0.977 236 E CA -0.416 55.993 56.400 0.017 0.000 0.827 236 E CB 2.072 31.780 29.700 0.014 0.000 1.130 236 E HN 0.820 9.180 8.360 -0.000 0.000 0.394 237 S N 1.623 117.337 115.700 0.023 0.000 2.677 237 S HA 0.580 5.039 4.470 -0.018 0.000 0.304 237 S C -0.573 174.042 174.600 0.024 0.000 1.108 237 S CA -1.101 57.116 58.200 0.028 0.000 0.944 237 S CB 1.717 64.938 63.200 0.034 0.000 1.127 237 S HN 0.444 8.754 8.310 -0.000 0.000 0.511 238 E N 0.174 120.390 120.200 0.026 0.000 2.293 238 E HA 0.546 4.885 4.350 -0.018 0.000 0.270 238 E C -1.203 175.412 176.600 0.026 0.000 0.879 238 E CA -0.612 55.800 56.400 0.021 0.000 0.756 238 E CB 2.016 31.728 29.700 0.019 0.000 1.208 238 E HN 0.509 8.869 8.360 -0.000 0.000 0.428 239 I N 4.602 125.184 120.570 0.021 0.000 2.389 239 I HA 0.460 4.619 4.170 -0.018 0.000 0.288 239 I C -0.098 176.031 176.117 0.021 0.000 0.999 239 I CA -0.778 60.538 61.300 0.027 0.000 1.129 239 I CB 0.595 38.613 38.000 0.030 0.000 1.288 239 I HN 0.489 8.699 8.210 -0.000 0.000 0.444 240 I N 2.453 123.040 120.570 0.029 0.000 3.002 240 I HA 0.564 4.723 4.170 -0.018 0.000 0.310 240 I C -0.586 175.553 176.117 0.037 0.000 1.087 240 I CA -0.919 60.397 61.300 0.026 0.000 1.017 240 I CB 2.221 40.235 38.000 0.023 0.000 1.226 240 I HN 0.356 8.566 8.210 -0.000 0.000 0.443 241 N N 2.647 121.369 118.700 0.037 0.000 2.401 241 N HA 0.321 5.050 4.740 -0.018 0.000 0.255 241 N C 0.539 176.072 175.510 0.037 0.000 1.110 241 N CA 0.196 53.273 53.050 0.044 0.000 0.949 241 N CB 1.689 40.205 38.487 0.049 0.000 1.110 241 N HN 0.836 9.216 8.380 -0.000 0.000 0.490 242 A N 3.693 126.537 122.820 0.039 0.000 2.067 242 A HA 0.058 4.367 4.320 -0.018 0.000 0.217 242 A C 1.827 179.429 177.584 0.029 0.000 1.156 242 A CA 1.210 53.267 52.037 0.034 0.000 0.683 242 A CB -0.346 18.677 19.000 0.038 0.000 0.808 242 A HN 0.704 8.854 8.150 -0.000 0.000 0.455 243 A N -0.641 122.198 122.820 0.031 0.000 2.248 243 A HA 0.325 4.634 4.320 -0.018 0.000 0.210 243 A C 0.635 178.233 177.584 0.022 0.000 1.174 243 A CA 0.586 52.638 52.037 0.025 0.000 0.750 243 A CB -0.367 18.649 19.000 0.026 0.000 0.780 243 A HN 0.253 8.403 8.150 -0.000 0.000 0.478 244 V N 1.799 121.727 119.914 0.024 0.000 2.347 244 V HA 0.247 4.356 4.120 -0.018 0.000 0.280 244 V C -2.415 173.690 176.094 0.017 0.000 1.021 244 V CA -1.938 60.374 62.300 0.021 0.000 0.847 244 V CB 1.278 33.115 31.823 0.024 0.000 0.990 244 V HN 0.124 8.314 8.190 -0.000 0.000 0.444 245 P HA 0.068 4.488 4.420 -0.000 0.000 0.263 245 P C 1.112 178.419 177.300 0.011 0.000 1.168 245 P CA 1.792 64.899 63.100 0.011 0.000 0.759 245 P CB 0.489 32.194 31.700 0.009 0.000 0.782 246 G N 3.012 111.818 108.800 0.011 0.000 2.328 246 G HA2 -0.360 3.589 3.960 -0.018 0.000 0.256 246 G HA3 -0.360 3.589 3.960 -0.018 0.000 0.256 246 G C 1.451 176.359 174.900 0.012 0.000 1.014 246 G CA 0.522 45.629 45.100 0.010 0.000 0.620 246 G HN 0.464 8.754 8.290 -0.000 0.000 0.530 247 N N 0.768 119.476 118.700 0.014 0.000 2.043 247 N HA -0.058 4.671 4.740 -0.018 0.000 0.193 247 N C 2.304 177.824 175.510 0.017 0.000 1.037 247 N CA 1.567 54.627 53.050 0.016 0.000 0.851 247 N CB -0.361 38.138 38.487 0.019 0.000 1.027 247 N HN 0.439 8.819 8.380 -0.000 0.000 0.422 248 I N 1.365 121.946 120.570 0.019 0.000 2.194 248 I HA -0.236 3.923 4.170 -0.018 0.000 0.246 248 I C 2.264 178.392 176.117 0.017 0.000 1.093 248 I CA 1.218 62.530 61.300 0.020 0.000 1.355 248 I CB -1.032 36.981 38.000 0.021 0.000 1.046 248 I HN 0.369 8.579 8.210 -0.000 0.000 0.413 249 E N 1.026 121.234 120.200 0.014 0.000 2.072 249 E HA -0.176 4.163 4.350 -0.018 0.000 0.190 249 E C 2.386 178.992 176.600 0.011 0.000 0.982 249 E CA 0.822 57.229 56.400 0.011 0.000 0.803 249 E CB 0.096 29.801 29.700 0.009 0.000 0.755 249 E HN 0.392 8.752 8.360 -0.000 0.000 0.453 250 R N 0.099 120.606 120.500 0.011 0.000 2.090 250 R HA -0.021 4.308 4.340 -0.018 0.000 0.228 250 R C 2.426 178.733 176.300 0.012 0.000 1.110 250 R CA 0.938 57.044 56.100 0.010 0.000 0.973 250 R CB -0.253 30.052 30.300 0.009 0.000 0.869 250 R HN 0.155 8.425 8.270 -0.000 0.000 0.440 251 A N 1.516 124.345 122.820 0.015 0.000 1.877 251 A HA -0.115 4.195 4.320 -0.018 0.000 0.216 251 A C 2.162 179.758 177.584 0.019 0.000 1.186 251 A CA 1.138 53.185 52.037 0.017 0.000 0.620 251 A CB -0.543 18.470 19.000 0.021 0.000 0.822 251 A HN 0.172 8.322 8.150 -0.000 0.000 0.443 252 L N -0.789 120.445 121.223 0.019 0.000 2.275 252 L HA -0.097 4.232 4.340 -0.018 0.000 0.215 252 L C 2.220 179.099 176.870 0.016 0.000 1.119 252 L CA 0.602 55.453 54.840 0.020 0.000 0.790 252 L CB -0.366 41.704 42.059 0.019 0.000 0.919 252 L HN 0.361 8.591 8.230 -0.000 0.000 0.443 253 L N -0.620 120.610 121.223 0.012 0.000 2.341 253 L HA 0.093 4.422 4.340 -0.018 0.000 0.214 253 L C 1.408 178.283 176.870 0.008 0.000 1.115 253 L CA 0.669 55.514 54.840 0.008 0.000 0.820 253 L CB -0.293 41.770 42.059 0.006 0.000 0.944 253 L HN 0.455 8.685 8.230 -0.000 0.000 0.452 254 G N 0.801 109.608 108.800 0.011 0.000 2.142 254 G HA2 -0.228 3.721 3.960 -0.018 0.000 0.225 254 G HA3 -0.228 3.721 3.960 -0.018 0.000 0.225 254 G C -0.136 174.769 174.900 0.009 0.000 1.015 254 G CA -0.310 44.797 45.100 0.012 0.000 0.716 254 G HN 0.478 8.768 8.290 -0.000 0.000 0.508 255 E N 1.055 121.259 120.200 0.008 0.000 2.063 255 E HA 0.376 4.715 4.350 -0.018 0.000 0.265 255 E C 0.229 176.833 176.600 0.006 0.000 0.919 255 E CA -0.686 55.717 56.400 0.006 0.000 0.756 255 E CB 1.091 30.794 29.700 0.005 0.000 1.120 255 E HN 0.584 8.944 8.360 -0.000 0.000 0.414 256 E N 1.401 121.605 120.200 0.006 0.000 2.641 256 E HA -0.048 4.291 4.350 -0.018 0.000 0.272 256 E C -0.249 176.353 176.600 0.004 0.000 0.990 256 E CA 0.505 56.908 56.400 0.005 0.000 0.971 256 E CB 0.613 30.314 29.700 0.003 0.000 0.967 256 E HN 0.162 8.522 8.360 -0.000 0.000 0.464 257 V N 2.491 122.407 119.914 0.004 0.000 3.102 257 V HA 0.306 4.415 4.120 -0.018 0.000 0.312 257 V C -0.039 176.055 176.094 -0.001 0.000 1.135 257 V CA -1.020 61.282 62.300 0.004 0.000 1.022 257 V CB 2.079 33.907 31.823 0.008 0.000 1.056 257 V HN 0.594 8.784 8.190 -0.000 0.000 0.436 258 R N 1.354 121.853 120.500 -0.002 0.000 2.401 258 R HA 0.585 4.914 4.340 -0.018 0.000 0.299 258 R C 0.269 176.559 176.300 -0.017 0.000 1.064 258 R CA 0.435 56.527 56.100 -0.012 0.000 1.000 258 R CB 0.381 30.674 30.300 -0.011 0.000 0.973 258 R HN 1.031 9.301 8.270 -0.000 0.000 0.438 259 G N 0.903 109.685 108.800 -0.031 0.000 2.341 259 G HA2 0.186 4.135 3.960 -0.018 0.000 0.299 259 G HA3 0.186 4.135 3.960 -0.018 0.000 0.299 259 G C -1.423 173.447 174.900 -0.049 0.000 1.274 259 G CA -0.624 44.454 45.100 -0.036 0.000 0.853 259 G HN 0.362 8.652 8.290 -0.000 0.000 0.493 260 T N 1.203 115.733 114.554 -0.040 0.000 2.807 260 T HA 0.623 4.962 4.350 -0.018 0.000 0.279 260 T C -0.103 174.589 174.700 -0.013 0.000 0.993 260 T CA -0.593 61.485 62.100 -0.037 0.000 0.970 260 T CB 1.567 70.411 68.868 -0.039 0.000 0.950 260 T HN 0.494 8.734 8.240 -0.000 0.000 0.441 261 R N 2.148 122.642 120.500 -0.010 0.000 2.404 261 R HA 0.494 4.823 4.340 -0.018 0.000 0.291 261 R C -0.204 176.097 176.300 0.002 0.000 1.025 261 R CA -0.735 55.365 56.100 0.000 0.000 0.991 261 R CB 1.031 31.331 30.300 0.001 0.000 1.053 261 R HN 0.511 8.781 8.270 -0.000 0.000 0.479 262 I N 2.758 123.333 120.570 0.009 0.000 2.359 262 I HA 0.236 4.395 4.170 -0.018 0.000 0.294 262 I C 0.804 176.927 176.117 0.010 0.000 0.987 262 I CA -0.258 61.048 61.300 0.011 0.000 1.225 262 I CB 1.455 39.465 38.000 0.017 0.000 1.366 262 I HN 0.713 8.923 8.210 -0.000 0.000 0.466 263 T N 0.000 114.559 114.554 0.008 0.000 3.816 263 T HA 0.000 4.339 4.350 -0.018 0.000 0.228 263 T CA 0.000 62.104 62.100 0.006 0.000 1.349 263 T CB 0.000 68.871 68.868 0.004 0.000 0.612 263 T HN 0.000 8.240 8.240 -0.000 0.000 0.658