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 1e0x_1_B DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGRLSDSTY TSIAGREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSSADRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGSA DATA SEQUENCE LRQAMIDHIN GVMAHYKGKI VQWDVVNEAF ADGSSGARRD SNLQRSGNDW DATA SEQUENCE IEVAFRTARA ADPSAKLcYN DYNVENWTWA KTQAMYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GAPASTYANV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD SDSWRSEQTP LLFNNDGSKK AAYTAVLDAL DATA SEQUENCE NGGDSSEPP 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.574 177.584 -0.017 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 1 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 2 E N 0.270 120.456 120.200 -0.023 0.000 2.249 2 E HA 0.574 4.924 4.350 -0.001 0.000 0.263 2 E C 0.642 177.229 176.600 -0.021 0.000 0.950 2 E CA 0.036 56.423 56.400 -0.021 0.000 0.827 2 E CB 1.721 31.407 29.700 -0.023 0.000 1.220 2 E HN 0.794 9.154 8.360 -0.000 0.000 0.411 3 S N -1.358 114.336 115.700 -0.009 0.000 2.539 3 S HA 0.082 4.551 4.470 -0.001 0.000 0.221 3 S C 0.653 175.276 174.600 0.037 0.000 0.987 3 S CA -0.188 58.018 58.200 0.011 0.000 0.929 3 S CB -0.081 63.125 63.200 0.010 0.000 0.832 3 S HN 0.501 8.811 8.310 -0.000 0.000 0.492 4 T N -1.178 113.378 114.554 0.004 0.000 2.906 4 T HA 0.638 4.987 4.350 -0.001 0.000 0.295 4 T C 0.842 175.492 174.700 -0.083 0.000 1.061 4 T CA -0.953 61.149 62.100 0.003 0.000 1.000 4 T CB 1.220 70.074 68.868 -0.024 0.000 1.103 4 T HN 0.004 8.244 8.240 -0.000 0.000 0.486 5 L N 1.427 122.547 121.223 -0.171 0.000 2.012 5 L HA 0.061 4.400 4.340 -0.001 0.000 0.210 5 L C 2.964 179.784 176.870 -0.083 0.000 1.073 5 L CA 1.943 56.588 54.840 -0.325 0.000 0.748 5 L CB -1.034 40.642 42.059 -0.639 0.000 0.891 5 L HN 0.980 9.210 8.230 -0.000 0.000 0.431 6 G N -0.497 108.321 108.800 0.031 0.000 2.418 6 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.217 6 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.217 6 G C 1.768 176.723 174.900 0.091 0.000 1.158 6 G CA 0.794 45.987 45.100 0.155 0.000 0.771 6 G HN 0.467 8.757 8.290 -0.000 0.000 0.545 7 A N 1.041 123.880 122.820 0.031 0.000 1.930 7 A HA 0.319 4.638 4.320 -0.001 0.000 0.217 7 A C 2.776 180.368 177.584 0.013 0.000 1.175 7 A CA 2.105 54.154 52.037 0.020 0.000 0.627 7 A CB -0.646 18.355 19.000 0.001 0.000 0.815 7 A HN 0.732 8.882 8.150 -0.000 0.000 0.443 8 A N -0.111 122.703 122.820 -0.011 0.000 1.898 8 A HA 0.201 4.521 4.320 -0.001 0.000 0.216 8 A C 2.484 180.072 177.584 0.006 0.000 1.181 8 A CA 1.906 53.928 52.037 -0.025 0.000 0.620 8 A CB -0.941 18.009 19.000 -0.083 0.000 0.819 8 A HN 1.002 9.152 8.150 -0.000 0.000 0.442 9 A N -0.095 122.753 122.820 0.048 0.000 1.933 9 A HA 0.188 4.507 4.320 -0.001 0.000 0.218 9 A C 2.440 180.066 177.584 0.071 0.000 1.175 9 A CA 1.887 53.978 52.037 0.090 0.000 0.628 9 A CB -0.939 18.178 19.000 0.195 0.000 0.814 9 A HN 1.080 9.230 8.150 -0.000 0.000 0.444 10 A N -1.150 121.716 122.820 0.076 0.000 2.070 10 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 10 A C 1.976 179.584 177.584 0.040 0.000 1.159 10 A CA 1.417 53.493 52.037 0.066 0.000 0.656 10 A CB -0.382 18.655 19.000 0.061 0.000 0.800 10 A HN 0.509 8.659 8.150 -0.000 0.000 0.453 11 Q N 0.111 119.927 119.800 0.027 0.000 2.364 11 Q HA -0.085 4.254 4.340 -0.001 0.000 0.207 11 Q C 1.707 177.715 176.000 0.014 0.000 0.970 11 Q CA 1.507 57.319 55.803 0.015 0.000 0.888 11 Q CB -0.246 28.495 28.738 0.005 0.000 0.951 11 Q HN 0.797 9.067 8.270 -0.000 0.000 0.469 12 S N -2.081 113.630 115.700 0.018 0.000 2.602 12 S HA 0.389 4.858 4.470 -0.001 0.000 0.240 12 S C 1.075 175.687 174.600 0.019 0.000 0.992 12 S CA 0.236 58.444 58.200 0.013 0.000 0.971 12 S CB 0.710 63.913 63.200 0.006 0.000 0.855 12 S HN 0.358 8.668 8.310 -0.000 0.000 0.481 13 G N 1.307 110.126 108.800 0.031 0.000 2.143 13 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.248 13 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.248 13 G C 0.047 174.980 174.900 0.055 0.000 0.991 13 G CA 0.022 45.147 45.100 0.042 0.000 0.689 13 G HN 0.616 8.906 8.290 -0.000 0.000 0.522 14 R N -1.175 119.354 120.500 0.050 0.000 2.923 14 R HA 0.725 5.064 4.340 -0.001 0.000 0.252 14 R C -0.035 176.332 176.300 0.111 0.000 1.130 14 R CA -0.754 55.359 56.100 0.022 0.000 1.043 14 R CB 0.956 31.224 30.300 -0.053 0.000 1.205 14 R HN 0.453 8.723 8.270 -0.000 0.000 0.495 15 Y N -1.475 118.878 120.300 0.088 0.000 2.587 15 Y HA 0.683 5.233 4.550 -0.001 0.000 0.337 15 Y C -1.187 174.817 175.900 0.174 0.000 1.065 15 Y CA -1.530 56.640 58.100 0.118 0.000 1.126 15 Y CB 1.088 39.593 38.460 0.074 0.000 1.279 15 Y HN 0.402 8.682 8.280 -0.000 0.000 0.489 16 F N 1.513 121.676 119.950 0.355 0.000 2.539 16 F HA 0.768 5.295 4.527 -0.001 0.000 0.328 16 F C 0.025 176.143 175.800 0.530 0.000 1.148 16 F CA -0.693 57.519 58.000 0.354 0.000 0.940 16 F CB 1.566 40.714 39.000 0.246 0.000 1.194 16 F HN 0.943 9.243 8.300 -0.000 0.000 0.438 17 G N 2.067 111.063 108.800 0.327 0.000 2.788 17 G HA2 0.625 4.584 3.960 -0.001 0.000 0.293 17 G HA3 0.625 4.584 3.960 -0.001 0.000 0.293 17 G C -1.378 173.369 174.900 -0.254 0.000 1.305 17 G CA -0.672 44.535 45.100 0.178 0.000 1.005 17 G HN 0.613 8.903 8.290 -0.000 0.000 0.496 18 T N -1.867 112.362 114.554 -0.541 0.000 2.812 18 T HA 0.655 5.005 4.350 -0.001 0.000 0.294 18 T C -0.984 173.435 174.700 -0.469 0.000 1.159 18 T CA 0.129 61.800 62.100 -0.714 0.000 1.008 18 T CB 1.436 69.465 68.868 -1.399 0.000 1.289 18 T HN 1.237 9.477 8.240 -0.000 0.000 0.514 19 A N 2.569 125.051 122.820 -0.562 0.000 2.276 19 A HA 0.710 5.030 4.320 -0.001 0.000 0.316 19 A C -0.508 176.782 177.584 -0.490 0.000 1.229 19 A CA -0.590 51.004 52.037 -0.738 0.000 0.851 19 A CB 0.091 18.111 19.000 -1.633 0.000 1.165 19 A HN 0.645 8.795 8.150 -0.000 0.000 0.513 20 I N 1.985 122.353 120.570 -0.336 0.000 2.412 20 I HA 0.487 4.657 4.170 -0.001 0.000 0.296 20 I C 0.600 176.624 176.117 -0.154 0.000 0.987 20 I CA -0.270 60.919 61.300 -0.185 0.000 1.180 20 I CB 1.392 39.279 38.000 -0.188 0.000 1.340 20 I HN 0.703 8.913 8.210 -0.000 0.000 0.455 21 A N 4.147 126.904 122.820 -0.104 0.000 2.260 21 A HA 0.450 4.770 4.320 -0.001 0.000 0.314 21 A C 1.055 178.546 177.584 -0.155 0.000 1.257 21 A CA -0.280 51.674 52.037 -0.139 0.000 0.871 21 A CB 0.667 19.559 19.000 -0.179 0.000 1.166 21 A HN 0.839 8.989 8.150 -0.000 0.000 0.522 22 S N 2.533 118.176 115.700 -0.095 0.000 2.400 22 S HA -0.119 4.350 4.470 -0.001 0.000 0.232 22 S C 1.696 176.229 174.600 -0.111 0.000 1.025 22 S CA 1.540 59.692 58.200 -0.079 0.000 0.993 22 S CB -0.534 62.663 63.200 -0.004 0.000 0.808 22 S HN 1.171 9.481 8.310 -0.000 0.000 0.478 23 G N 1.090 109.819 108.800 -0.119 0.000 2.598 23 G HA2 0.008 3.967 3.960 -0.001 0.000 0.215 23 G HA3 0.008 3.967 3.960 -0.001 0.000 0.215 23 G C 1.515 176.293 174.900 -0.205 0.000 1.131 23 G CA -0.159 44.866 45.100 -0.125 0.000 0.785 23 G HN 0.541 8.831 8.290 -0.000 0.000 0.539 24 R N -0.363 119.931 120.500 -0.344 0.000 2.317 24 R HA 0.304 4.643 4.340 -0.001 0.000 0.208 24 R C 1.674 177.720 176.300 -0.424 0.000 0.914 24 R CA -0.260 55.501 56.100 -0.565 0.000 1.060 24 R CB -0.004 29.547 30.300 -1.249 0.000 1.015 24 R HN 0.317 8.587 8.270 -0.000 0.000 0.498 25 L N 0.774 121.842 121.223 -0.258 0.000 2.465 25 L HA -0.069 4.270 4.340 -0.001 0.000 0.224 25 L C 1.869 178.693 176.870 -0.076 0.000 1.145 25 L CA 0.970 55.696 54.840 -0.190 0.000 0.834 25 L CB -0.165 41.755 42.059 -0.232 0.000 0.944 25 L HN 0.194 8.424 8.230 -0.000 0.000 0.451 26 S N -2.756 112.899 115.700 -0.075 0.000 2.593 26 S HA -0.019 4.451 4.470 -0.001 0.000 0.217 26 S C 0.623 175.210 174.600 -0.022 0.000 0.966 26 S CA -0.396 57.786 58.200 -0.029 0.000 0.914 26 S CB -0.204 62.977 63.200 -0.031 0.000 0.776 26 S HN 0.263 8.573 8.310 -0.000 0.000 0.523 27 D N 2.630 123.006 120.400 -0.040 0.000 2.347 27 D HA 0.262 4.902 4.640 -0.001 0.000 0.235 27 D C 1.214 177.547 176.300 0.055 0.000 1.149 27 D CA 0.026 54.020 54.000 -0.010 0.000 0.850 27 D CB 1.615 42.376 40.800 -0.065 0.000 1.061 27 D HN 0.244 8.614 8.370 -0.000 0.000 0.487 28 S N 2.027 117.755 115.700 0.046 0.000 2.423 28 S HA -0.141 4.328 4.470 -0.001 0.000 0.231 28 S C 1.636 176.270 174.600 0.056 0.000 1.014 28 S CA 0.932 59.167 58.200 0.059 0.000 0.965 28 S CB -0.196 63.029 63.200 0.042 0.000 0.785 28 S HN 0.460 8.770 8.310 -0.000 0.000 0.495 29 T N 0.908 115.492 114.554 0.049 0.000 2.812 29 T HA -0.018 4.331 4.350 -0.001 0.000 0.264 29 T C 1.387 176.107 174.700 0.033 0.000 1.042 29 T CA 1.344 63.461 62.100 0.028 0.000 1.140 29 T CB -0.568 68.314 68.868 0.023 0.000 0.870 29 T HN 0.568 8.808 8.240 -0.000 0.000 0.445 30 Y N 2.564 122.822 120.300 -0.071 0.000 2.128 30 Y HA -0.238 4.312 4.550 -0.001 0.000 0.284 30 Y C 2.785 178.637 175.900 -0.081 0.000 1.154 30 Y CA 2.008 60.048 58.100 -0.099 0.000 1.149 30 Y CB -0.690 37.697 38.460 -0.120 0.000 0.976 30 Y HN 0.320 8.600 8.280 -0.000 0.000 0.505 31 T N -3.420 111.192 114.554 0.096 0.000 2.951 31 T HA -0.102 4.248 4.350 -0.001 0.000 0.268 31 T C 2.060 176.850 174.700 0.150 0.000 1.073 31 T CA 1.276 63.447 62.100 0.119 0.000 1.134 31 T CB -0.662 68.350 68.868 0.240 0.000 0.884 31 T HN 0.266 8.506 8.240 -0.000 0.000 0.479 32 S N 1.314 117.050 115.700 0.059 0.000 2.368 32 S HA 0.110 4.579 4.470 -0.001 0.000 0.224 32 S C 1.925 176.493 174.600 -0.052 0.000 1.029 32 S CA 1.065 59.275 58.200 0.018 0.000 0.988 32 S CB -0.426 62.770 63.200 -0.006 0.000 0.838 32 S HN 0.501 8.811 8.310 -0.000 0.000 0.462 33 I N 1.537 122.020 120.570 -0.144 0.000 2.133 33 I HA -0.181 3.988 4.170 -0.001 0.000 0.238 33 I C 2.713 178.706 176.117 -0.207 0.000 1.074 33 I CA 1.190 62.308 61.300 -0.303 0.000 1.342 33 I CB -0.516 37.143 38.000 -0.569 0.000 1.053 33 I HN 0.253 8.463 8.210 -0.000 0.000 0.404 34 A N 0.895 123.645 122.820 -0.116 0.000 1.933 34 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 34 A C 2.408 180.217 177.584 0.374 0.000 1.175 34 A CA 1.901 54.052 52.037 0.190 0.000 0.628 34 A CB -1.449 17.492 19.000 -0.098 0.000 0.814 34 A HN 0.493 8.643 8.150 -0.000 0.000 0.444 35 G N 0.384 109.375 108.800 0.318 0.000 2.418 35 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 35 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 35 G C 1.722 176.634 174.900 0.021 0.000 1.158 35 G CA 1.172 46.367 45.100 0.158 0.000 0.771 35 G HN 0.758 9.048 8.290 -0.000 0.000 0.545 36 R N -0.098 120.390 120.500 -0.019 0.000 2.119 36 R HA 0.144 4.484 4.340 -0.001 0.000 0.222 36 R C 1.884 178.120 176.300 -0.106 0.000 1.088 36 R CA 1.469 57.532 56.100 -0.063 0.000 0.984 36 R CB -0.182 30.075 30.300 -0.070 0.000 0.884 36 R HN 0.204 8.474 8.270 -0.000 0.000 0.447 37 E N 0.079 120.140 120.200 -0.231 0.000 2.340 37 E HA 0.110 4.459 4.350 -0.001 0.000 0.194 37 E C -0.380 175.905 176.600 -0.525 0.000 0.996 37 E CA 0.362 56.486 56.400 -0.459 0.000 0.869 37 E CB 0.290 29.529 29.700 -0.768 0.000 0.835 37 E HN 0.202 8.562 8.360 -0.000 0.000 0.493 38 F N 1.617 121.653 119.950 0.142 0.000 2.522 38 F HA 0.246 4.772 4.527 -0.001 0.000 0.324 38 F C 1.018 176.885 175.800 0.112 0.000 1.077 38 F CA -1.226 56.883 58.000 0.183 0.000 0.944 38 F CB 0.938 40.050 39.000 0.187 0.000 1.175 38 F HN -0.186 8.114 8.300 -0.000 0.000 0.468 39 N N 0.949 119.839 118.700 0.316 0.000 2.235 39 N HA 0.321 5.060 4.740 -0.001 0.000 0.231 39 N C -0.692 174.874 175.510 0.094 0.000 1.177 39 N CA -0.025 53.122 53.050 0.162 0.000 0.874 39 N CB 0.755 39.323 38.487 0.135 0.000 1.097 39 N HN 0.606 8.986 8.380 -0.000 0.000 0.518 40 M N 0.225 119.896 119.600 0.119 0.000 2.421 40 M HA 0.544 5.023 4.480 -0.001 0.000 0.287 40 M C -2.222 174.053 176.300 -0.043 0.000 1.183 40 M CA -0.692 54.566 55.300 -0.069 0.000 0.916 40 M CB 2.474 34.910 32.600 -0.272 0.000 1.701 40 M HN -0.173 8.117 8.290 -0.000 0.000 0.470 41 V N 2.669 122.523 119.914 -0.100 0.000 2.709 41 V HA 0.769 4.888 4.120 -0.001 0.000 0.308 41 V C -0.750 175.265 176.094 -0.133 0.000 1.062 41 V CA -0.538 61.709 62.300 -0.088 0.000 0.901 41 V CB 2.509 34.340 31.823 0.013 0.000 1.003 41 V HN 0.904 9.094 8.190 -0.000 0.000 0.425 42 T N 3.438 117.902 114.554 -0.151 0.000 2.829 42 T HA 0.667 5.016 4.350 -0.001 0.000 0.280 42 T C 0.085 174.698 174.700 -0.146 0.000 0.999 42 T CA -0.265 61.760 62.100 -0.124 0.000 0.983 42 T CB 1.690 70.526 68.868 -0.053 0.000 0.968 42 T HN 0.958 9.198 8.240 -0.000 0.000 0.446 43 A N 1.907 124.692 122.820 -0.058 0.000 2.450 43 A HA 0.240 4.559 4.320 -0.001 0.000 0.255 43 A C 1.378 178.944 177.584 -0.031 0.000 1.096 43 A CA -0.313 51.707 52.037 -0.028 0.000 0.778 43 A CB -0.003 19.036 19.000 0.066 0.000 1.031 43 A HN 1.062 9.212 8.150 -0.000 0.000 0.494 44 E N 1.808 121.918 120.200 -0.149 0.000 2.077 44 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 44 E C 0.633 177.331 176.600 0.164 0.000 0.989 44 E CA 1.614 57.907 56.400 -0.178 0.000 0.800 44 E CB 0.085 29.603 29.700 -0.303 0.000 0.746 44 E HN 0.799 9.159 8.360 -0.000 0.000 0.452 45 N N -1.153 117.633 118.700 0.143 0.000 2.028 45 N HA -0.004 4.735 4.740 -0.001 0.000 0.230 45 N C 0.607 176.233 175.510 0.194 0.000 1.354 45 N CA 0.156 53.331 53.050 0.208 0.000 0.855 45 N CB 0.531 39.108 38.487 0.150 0.000 1.111 45 N HN -0.007 8.373 8.380 -0.000 0.000 0.480 46 E N 0.577 120.874 120.200 0.162 0.000 2.347 46 E HA 0.135 4.484 4.350 -0.001 0.000 0.196 46 E C 1.233 177.975 176.600 0.237 0.000 1.008 46 E CA 0.805 57.308 56.400 0.173 0.000 0.852 46 E CB 0.050 29.838 29.700 0.148 0.000 0.783 46 E HN 0.313 8.673 8.360 -0.000 0.000 0.505 47 M N 0.051 119.811 119.600 0.267 0.000 2.383 47 M HA 0.142 4.621 4.480 -0.001 0.000 0.247 47 M C 0.072 176.591 176.300 0.365 0.000 1.117 47 M CA 0.003 55.512 55.300 0.348 0.000 0.995 47 M CB 0.456 33.243 32.600 0.311 0.000 1.480 47 M HN -0.142 8.148 8.290 -0.000 0.000 0.485 48 K N 0.519 121.097 120.400 0.298 0.000 2.132 48 K HA 0.223 4.543 4.320 -0.001 0.000 0.240 48 K C 1.083 177.831 176.600 0.245 0.000 1.036 48 K CA -0.206 56.242 56.287 0.269 0.000 0.888 48 K CB 1.108 33.768 32.500 0.266 0.000 1.071 48 K HN 0.066 8.316 8.250 -0.000 0.000 0.502 49 I N 1.154 121.804 120.570 0.134 0.000 2.252 49 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 49 I C 1.916 178.013 176.117 -0.034 0.000 1.102 49 I CA 1.282 62.536 61.300 -0.077 0.000 1.385 49 I CB -0.451 37.337 38.000 -0.353 0.000 1.064 49 I HN 0.706 8.916 8.210 -0.000 0.000 0.414 50 D N 1.766 122.141 120.400 -0.041 0.000 2.144 50 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 50 D C 2.053 178.381 176.300 0.048 0.000 0.978 50 D CA 1.433 55.415 54.000 -0.030 0.000 0.833 50 D CB -0.433 40.326 40.800 -0.068 0.000 0.961 50 D HN 0.306 8.676 8.370 -0.000 0.000 0.470 51 A N 0.660 123.530 122.820 0.083 0.000 1.898 51 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 51 A C 2.363 179.997 177.584 0.083 0.000 1.181 51 A CA 2.536 54.628 52.037 0.092 0.000 0.620 51 A CB -1.067 18.008 19.000 0.125 0.000 0.819 51 A HN 0.463 8.613 8.150 -0.000 0.000 0.442 52 T N -3.377 111.263 114.554 0.143 0.000 3.081 52 T HA 0.162 4.511 4.350 -0.001 0.000 0.255 52 T C 0.560 175.297 174.700 0.062 0.000 1.113 52 T CA 0.908 63.046 62.100 0.065 0.000 1.082 52 T CB 0.082 69.090 68.868 0.232 0.000 0.939 52 T HN 0.468 8.708 8.240 -0.000 0.000 0.506 53 E N 1.616 121.907 120.200 0.152 0.000 3.284 53 E HA 0.221 4.571 4.350 -0.001 0.000 0.277 53 E C -2.282 174.443 176.600 0.208 0.000 1.218 53 E CA -1.823 54.617 56.400 0.067 0.000 0.925 53 E CB 1.474 31.305 29.700 0.220 0.000 1.409 53 E HN 0.109 8.469 8.360 -0.000 0.000 0.388 54 P HA -0.088 4.332 4.420 -0.000 0.000 0.223 54 P C -0.043 177.395 177.300 0.231 0.000 1.151 54 P CA 0.764 63.953 63.100 0.147 0.000 0.787 54 P CB 0.503 32.230 31.700 0.044 0.000 0.788 55 Q N -0.772 119.022 119.800 -0.009 0.000 2.451 55 Q HA 0.318 4.657 4.340 -0.001 0.000 0.281 55 Q C -0.281 175.138 176.000 -0.968 0.000 1.099 55 Q CA -1.035 54.545 55.803 -0.371 0.000 0.806 55 Q CB 2.304 30.889 28.738 -0.255 0.000 1.419 55 Q HN -0.031 8.239 8.270 -0.000 0.000 0.427 56 R N -0.155 119.372 120.500 -1.621 0.000 2.458 56 R HA 0.192 4.531 4.340 -0.001 0.000 0.303 56 R C 0.848 176.592 176.300 -0.926 0.000 1.013 56 R CA 1.592 56.581 56.100 -1.852 0.000 1.026 56 R CB -0.268 29.139 30.300 -1.489 0.000 0.948 56 R HN 0.923 9.193 8.270 -0.000 0.000 0.417 57 G N 3.355 111.658 108.800 -0.830 0.000 2.166 57 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.260 57 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.260 57 G C -0.114 174.422 174.900 -0.606 0.000 0.986 57 G CA 0.237 44.952 45.100 -0.641 0.000 0.683 57 G HN 0.590 8.880 8.290 -0.000 0.000 0.527 58 Q N 0.041 119.476 119.800 -0.609 0.000 2.901 58 Q HA 0.447 4.786 4.340 -0.001 0.000 0.265 58 Q C 0.152 175.935 176.000 -0.363 0.000 1.263 58 Q CA -0.497 55.087 55.803 -0.365 0.000 1.088 58 Q CB -0.175 28.403 28.738 -0.267 0.000 1.339 58 Q HN 0.394 8.664 8.270 -0.000 0.000 0.546 59 F N 1.674 121.530 119.950 -0.158 0.000 2.572 59 F HA 0.082 4.608 4.527 -0.001 0.000 0.370 59 F C 1.210 176.747 175.800 -0.438 0.000 1.103 59 F CA 0.308 58.104 58.000 -0.341 0.000 1.286 59 F CB 0.433 39.239 39.000 -0.323 0.000 1.105 59 F HN 0.190 8.490 8.300 -0.000 0.000 0.583 60 N N 3.319 121.742 118.700 -0.463 0.000 2.519 60 N HA 0.221 4.960 4.740 -0.001 0.000 0.286 60 N C -1.022 174.215 175.510 -0.455 0.000 1.079 60 N CA -0.450 52.412 53.050 -0.314 0.000 0.878 60 N CB 0.501 38.908 38.487 -0.134 0.000 1.375 60 N HN 0.364 8.744 8.380 -0.000 0.000 0.514 61 F N 1.257 121.193 119.950 -0.023 0.000 2.668 61 F HA 0.307 4.833 4.527 -0.001 0.000 0.301 61 F C 1.941 177.783 175.800 0.071 0.000 1.106 61 F CA -0.298 57.683 58.000 -0.032 0.000 1.289 61 F CB 0.405 39.175 39.000 -0.384 0.000 1.006 61 F HN 0.346 8.646 8.300 -0.000 0.000 0.535 62 S N 0.325 116.132 115.700 0.179 0.000 2.351 62 S HA -0.233 4.237 4.470 -0.001 0.000 0.220 62 S C 2.389 177.095 174.600 0.175 0.000 1.035 62 S CA 2.108 60.405 58.200 0.162 0.000 1.031 62 S CB -0.519 62.742 63.200 0.101 0.000 0.928 62 S HN 0.543 8.853 8.310 -0.000 0.000 0.433 63 S N 2.064 117.856 115.700 0.153 0.000 2.387 63 S HA 0.126 4.595 4.470 -0.001 0.000 0.226 63 S C 2.037 176.757 174.600 0.200 0.000 1.026 63 S CA 0.818 59.106 58.200 0.146 0.000 0.972 63 S CB -0.560 62.703 63.200 0.105 0.000 0.814 63 S HN 0.489 8.799 8.310 -0.000 0.000 0.477 64 A N 2.396 125.379 122.820 0.272 0.000 1.902 64 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 64 A C 1.933 179.768 177.584 0.418 0.000 1.181 64 A CA 1.778 54.030 52.037 0.359 0.000 0.623 64 A CB -0.915 18.401 19.000 0.528 0.000 0.818 64 A HN 0.487 8.637 8.150 -0.000 0.000 0.443 65 D N -0.738 119.924 120.400 0.436 0.000 2.224 65 D HA -0.065 4.574 4.640 -0.001 0.000 0.205 65 D C 2.170 178.681 176.300 0.352 0.000 0.965 65 D CA 0.670 54.933 54.000 0.438 0.000 0.852 65 D CB -0.301 40.721 40.800 0.370 0.000 0.947 65 D HN 0.418 8.788 8.370 -0.000 0.000 0.494 66 R N 0.281 120.941 120.500 0.265 0.000 2.081 66 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 66 R C 2.274 178.716 176.300 0.236 0.000 1.131 66 R CA 0.775 57.005 56.100 0.216 0.000 0.960 66 R CB -0.394 29.996 30.300 0.149 0.000 0.856 66 R HN 0.119 8.389 8.270 -0.000 0.000 0.436 67 V N 0.169 120.215 119.914 0.219 0.000 2.307 67 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 67 V C 1.989 178.227 176.094 0.240 0.000 1.045 67 V CA 1.751 64.170 62.300 0.198 0.000 1.024 67 V CB -0.693 31.206 31.823 0.126 0.000 0.651 67 V HN 0.291 8.481 8.190 -0.000 0.000 0.449 68 Y N 1.937 122.334 120.300 0.161 0.000 2.128 68 Y HA -0.268 4.282 4.550 -0.001 0.000 0.284 68 Y C 2.545 178.530 175.900 0.141 0.000 1.154 68 Y CA 2.207 60.382 58.100 0.126 0.000 1.149 68 Y CB -0.323 38.255 38.460 0.197 0.000 0.976 68 Y HN 0.283 8.563 8.280 -0.000 0.000 0.505 69 N N -0.475 118.371 118.700 0.244 0.000 2.120 69 N HA -0.225 4.514 4.740 -0.001 0.000 0.188 69 N C 1.535 177.077 175.510 0.053 0.000 1.024 69 N CA 1.561 54.695 53.050 0.140 0.000 0.852 69 N CB -1.150 37.472 38.487 0.226 0.000 1.003 69 N HN 0.653 9.033 8.380 -0.000 0.000 0.424 70 W N 1.999 123.288 121.300 -0.018 0.000 2.335 70 W HA -0.117 4.542 4.660 -0.001 0.000 0.311 70 W C 2.362 178.832 176.519 -0.083 0.000 1.213 70 W CA 2.437 59.766 57.345 -0.027 0.000 1.274 70 W CB -0.406 29.058 29.460 0.008 0.000 1.148 70 W HN 0.084 8.264 8.180 -0.000 0.000 0.498 71 A N 0.231 123.111 122.820 0.099 0.000 1.865 71 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 71 A C 2.098 179.475 177.584 -0.345 0.000 1.191 71 A CA 3.204 55.164 52.037 -0.128 0.000 0.623 71 A CB -1.683 17.275 19.000 -0.070 0.000 0.826 71 A HN 0.630 8.780 8.150 -0.000 0.000 0.444 72 V N -2.340 117.331 119.914 -0.406 0.000 2.548 72 V HA -0.242 3.877 4.120 -0.001 0.000 0.249 72 V C 2.053 177.984 176.094 -0.272 0.000 1.055 72 V CA 2.182 64.265 62.300 -0.362 0.000 1.065 72 V CB -1.195 30.365 31.823 -0.438 0.000 0.681 72 V HN 0.605 8.795 8.190 -0.000 0.000 0.462 73 Q N 0.951 120.585 119.800 -0.277 0.000 2.170 73 Q HA -0.051 4.289 4.340 -0.001 0.000 0.203 73 Q C 1.474 177.286 176.000 -0.313 0.000 0.976 73 Q CA 1.575 57.233 55.803 -0.242 0.000 0.858 73 Q CB -0.225 28.390 28.738 -0.206 0.000 0.907 73 Q HN 0.688 8.958 8.270 -0.000 0.000 0.433 74 N N -0.660 117.753 118.700 -0.479 0.000 2.251 74 N HA 0.082 4.822 4.740 -0.001 0.000 0.217 74 N C 0.172 175.477 175.510 -0.340 0.000 1.124 74 N CA 0.706 53.448 53.050 -0.515 0.000 0.843 74 N CB 1.342 39.246 38.487 -0.971 0.000 1.024 74 N HN 0.326 8.706 8.380 -0.000 0.000 0.501 75 G N 1.275 109.923 108.800 -0.252 0.000 2.176 75 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 75 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 75 G C -0.157 174.661 174.900 -0.136 0.000 1.024 75 G CA 0.377 45.379 45.100 -0.163 0.000 0.755 75 G HN 0.270 8.560 8.290 -0.000 0.000 0.507 76 K N 0.132 120.429 120.400 -0.172 0.000 2.156 76 K HA 0.632 4.952 4.320 -0.001 0.000 0.254 76 K C 0.692 177.204 176.600 -0.146 0.000 0.950 76 K CA -0.602 55.617 56.287 -0.113 0.000 0.849 76 K CB 1.433 33.892 32.500 -0.068 0.000 1.100 76 K HN 0.383 8.633 8.250 -0.000 0.000 0.434 77 Q N 0.305 120.025 119.800 -0.133 0.000 2.316 77 Q HA 0.466 4.805 4.340 -0.001 0.000 0.215 77 Q C -0.646 175.241 176.000 -0.189 0.000 1.020 77 Q CA -0.802 54.906 55.803 -0.158 0.000 0.970 77 Q CB 1.058 29.701 28.738 -0.158 0.000 1.187 77 Q HN 0.217 8.487 8.270 -0.000 0.000 0.546 78 V N 1.086 120.882 119.914 -0.196 0.000 2.577 78 V HA 0.353 4.472 4.120 -0.001 0.000 0.303 78 V C -0.708 175.211 176.094 -0.290 0.000 1.042 78 V CA -0.769 61.401 62.300 -0.217 0.000 0.872 78 V CB 1.773 33.493 31.823 -0.170 0.000 0.998 78 V HN 0.625 8.815 8.190 -0.000 0.000 0.423 79 R N 2.814 123.141 120.500 -0.289 0.000 2.221 79 R HA 0.527 4.867 4.340 -0.001 0.000 0.327 79 R C 0.512 176.568 176.300 -0.408 0.000 1.033 79 R CA -0.334 55.581 56.100 -0.308 0.000 0.887 79 R CB 1.427 31.618 30.300 -0.183 0.000 1.057 79 R HN 0.890 9.160 8.270 -0.000 0.000 0.455 80 G N 1.648 109.969 108.800 -0.800 0.000 2.380 80 G HA2 0.149 4.109 3.960 -0.001 0.000 0.262 80 G HA3 0.149 4.109 3.960 -0.001 0.000 0.262 80 G C -0.916 173.835 174.900 -0.249 0.000 1.243 80 G CA -0.006 44.382 45.100 -1.187 0.000 0.865 80 G HN 0.673 8.963 8.290 -0.000 0.000 0.513 81 H N -0.093 118.964 119.070 -0.022 0.000 3.017 81 H HA 0.606 5.161 4.556 -0.001 0.000 0.340 81 H C -0.857 174.620 175.328 0.249 0.000 1.014 81 H CA -0.316 55.812 56.048 0.134 0.000 1.341 81 H CB 2.142 31.939 29.762 0.058 0.000 1.739 81 H HN 0.646 8.926 8.280 -0.000 0.000 0.506 82 T N 4.808 119.330 114.554 -0.052 0.000 2.923 82 T HA 0.265 4.615 4.350 -0.001 0.000 0.311 82 T C 0.355 175.118 174.700 0.105 0.000 1.183 82 T CA -0.663 61.365 62.100 -0.121 0.000 1.020 82 T CB 1.094 69.528 68.868 -0.723 0.000 1.165 82 T HN 0.602 8.842 8.240 -0.000 0.000 0.482 83 L N 2.124 123.404 121.223 0.096 0.000 2.354 83 L HA 0.564 4.903 4.340 -0.001 0.000 0.212 83 L C 1.058 178.031 176.870 0.172 0.000 1.091 83 L CA 0.211 55.123 54.840 0.121 0.000 0.828 83 L CB 0.106 42.100 42.059 -0.109 0.000 0.973 83 L HN 0.712 8.942 8.230 -0.000 0.000 0.461 84 A N -0.818 122.096 122.820 0.157 0.000 2.442 84 A HA 0.552 4.871 4.320 -0.001 0.000 0.284 84 A C -2.145 175.675 177.584 0.393 0.000 1.058 84 A CA -0.221 51.971 52.037 0.257 0.000 0.738 84 A CB 1.036 20.242 19.000 0.344 0.000 1.242 84 A HN 0.125 8.275 8.150 -0.000 0.000 0.421 85 W N 4.144 125.473 121.300 0.048 0.000 3.571 85 W HA 0.345 5.005 4.660 -0.001 0.000 0.294 85 W C 0.606 177.069 176.519 -0.095 0.000 1.257 85 W CA -0.878 56.481 57.345 0.023 0.000 1.206 85 W CB 0.816 30.220 29.460 -0.094 0.000 1.325 85 W HN 0.855 9.035 8.180 -0.000 0.000 0.546 86 H N 1.126 120.215 119.070 0.032 0.000 2.491 86 H HA 0.089 4.644 4.556 -0.001 0.000 0.290 86 H C 0.134 175.159 175.328 -0.504 0.000 1.050 86 H CA 1.217 57.123 56.048 -0.237 0.000 1.309 86 H CB 0.067 29.756 29.762 -0.123 0.000 1.392 86 H HN 0.085 8.365 8.280 -0.000 0.000 0.554 87 S N -0.003 114.632 115.700 -1.776 0.000 2.651 87 S HA 0.194 4.664 4.470 -0.001 0.000 0.291 87 S C -0.031 173.787 174.600 -1.303 0.000 1.141 87 S CA -0.437 56.763 58.200 -1.667 0.000 1.027 87 S CB 0.925 62.834 63.200 -2.152 0.000 1.043 87 S HN 0.557 8.867 8.310 -0.000 0.000 0.530 88 Q N 0.410 119.746 119.800 -0.773 0.000 2.461 88 Q HA -0.212 4.128 4.340 -0.001 0.000 0.273 88 Q C -0.500 175.295 176.000 -0.340 0.000 1.163 88 Q CA 0.711 56.250 55.803 -0.441 0.000 0.929 88 Q CB -1.321 27.241 28.738 -0.294 0.000 1.334 88 Q HN 0.664 8.934 8.270 -0.000 0.000 0.499 89 Q N 1.102 120.666 119.800 -0.392 0.000 2.299 89 Q HA 0.295 4.634 4.340 -0.001 0.000 0.246 89 Q C -1.949 173.827 176.000 -0.374 0.000 0.935 89 Q CA -1.705 53.861 55.803 -0.394 0.000 0.887 89 Q CB 0.748 29.232 28.738 -0.424 0.000 1.223 89 Q HN 0.102 8.372 8.270 -0.000 0.000 0.439 90 P HA -0.033 4.387 4.420 -0.000 0.000 0.272 90 P C 0.295 177.311 177.300 -0.474 0.000 1.230 90 P CA 0.052 62.917 63.100 -0.391 0.000 0.788 90 P CB 0.659 32.147 31.700 -0.354 0.000 0.949 91 G N 1.918 110.573 108.800 -0.242 0.000 2.469 91 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.220 91 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.220 91 G C 1.371 176.173 174.900 -0.163 0.000 1.136 91 G CA 0.414 45.414 45.100 -0.167 0.000 0.759 91 G HN 0.763 9.053 8.290 -0.000 0.000 0.562 92 W N 0.041 121.291 121.300 -0.084 0.000 2.374 92 W HA 0.004 4.664 4.660 -0.001 0.000 0.288 92 W C 2.051 178.518 176.519 -0.086 0.000 1.218 92 W CA 1.073 58.370 57.345 -0.081 0.000 1.245 92 W CB -0.773 28.637 29.460 -0.084 0.000 1.126 92 W HN 0.291 8.471 8.180 -0.000 0.000 0.545 93 M N 1.421 120.372 119.600 -1.081 0.000 2.236 93 M HA -0.141 4.339 4.480 -0.001 0.000 0.266 93 M C 2.475 178.510 176.300 -0.441 0.000 1.070 93 M CA 1.577 56.320 55.300 -0.927 0.000 1.137 93 M CB -0.300 31.470 32.600 -1.383 0.000 1.378 93 M HN -0.019 8.271 8.290 -0.000 0.000 0.426 94 Q N -0.336 119.223 119.800 -0.402 0.000 2.152 94 Q HA -0.166 4.173 4.340 -0.001 0.000 0.206 94 Q C 1.851 177.753 176.000 -0.164 0.000 0.985 94 Q CA 1.972 57.622 55.803 -0.255 0.000 0.863 94 Q CB -0.192 28.415 28.738 -0.217 0.000 0.904 94 Q HN 0.485 8.755 8.270 -0.000 0.000 0.422 95 S N 0.160 115.787 115.700 -0.122 0.000 2.522 95 S HA 0.068 4.537 4.470 -0.001 0.000 0.227 95 S C 0.691 175.268 174.600 -0.038 0.000 0.986 95 S CA 0.184 58.349 58.200 -0.057 0.000 0.929 95 S CB 0.079 63.271 63.200 -0.014 0.000 0.769 95 S HN 0.180 8.490 8.310 -0.000 0.000 0.529 96 L N 1.787 122.982 121.223 -0.047 0.000 2.399 96 L HA 0.447 4.787 4.340 -0.001 0.000 0.266 96 L C 0.378 177.215 176.870 -0.054 0.000 1.114 96 L CA -0.469 54.359 54.840 -0.020 0.000 0.804 96 L CB 1.140 43.210 42.059 0.019 0.000 1.146 96 L HN 0.146 8.376 8.230 -0.000 0.000 0.451 97 S N -0.198 115.481 115.700 -0.034 0.000 2.607 97 S HA 0.845 5.315 4.470 -0.001 0.000 0.273 97 S C -0.021 174.564 174.600 -0.026 0.000 1.148 97 S CA -0.252 57.921 58.200 -0.046 0.000 0.833 97 S CB 1.575 64.750 63.200 -0.042 0.000 1.130 97 S HN 1.167 9.477 8.310 -0.000 0.000 0.470 98 G N 2.087 110.868 108.800 -0.031 0.000 2.582 98 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.288 98 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.288 98 G C 1.132 176.035 174.900 0.005 0.000 1.247 98 G CA 1.626 46.720 45.100 -0.010 0.000 0.972 98 G HN 2.185 10.475 8.290 -0.000 0.000 0.557 99 S N 0.005 115.714 115.700 0.015 0.000 2.419 99 S HA 0.184 4.653 4.470 -0.001 0.000 0.233 99 S C 2.632 177.250 174.600 0.031 0.000 1.016 99 S CA 2.080 60.296 58.200 0.026 0.000 0.974 99 S CB -0.506 62.709 63.200 0.025 0.000 0.786 99 S HN 2.041 10.351 8.310 -0.000 0.000 0.492 100 A N 1.776 124.613 122.820 0.028 0.000 1.898 100 A HA 0.142 4.461 4.320 -0.001 0.000 0.216 100 A C 2.196 179.813 177.584 0.054 0.000 1.181 100 A CA 1.410 53.472 52.037 0.041 0.000 0.620 100 A CB -0.795 18.227 19.000 0.037 0.000 0.819 100 A HN 0.527 8.677 8.150 -0.000 0.000 0.442 101 L N -0.256 120.984 121.223 0.028 0.000 2.056 101 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 101 L C 2.356 179.246 176.870 0.033 0.000 1.078 101 L CA 2.380 57.229 54.840 0.014 0.000 0.749 101 L CB -0.634 41.397 42.059 -0.046 0.000 0.901 101 L HN 0.379 8.609 8.230 -0.000 0.000 0.433 102 R N -0.209 120.313 120.500 0.036 0.000 2.083 102 R HA -0.235 4.104 4.340 -0.001 0.000 0.237 102 R C 2.358 178.707 176.300 0.080 0.000 1.137 102 R CA 2.077 58.214 56.100 0.062 0.000 0.951 102 R CB -0.798 29.540 30.300 0.064 0.000 0.851 102 R HN 0.552 8.822 8.270 -0.000 0.000 0.434 103 Q N -0.295 119.550 119.800 0.075 0.000 2.124 103 Q HA 0.032 4.371 4.340 -0.001 0.000 0.202 103 Q C 1.859 177.929 176.000 0.118 0.000 0.977 103 Q CA 2.129 57.982 55.803 0.084 0.000 0.850 103 Q CB -0.448 28.330 28.738 0.067 0.000 0.901 103 Q HN 0.426 8.696 8.270 -0.000 0.000 0.429 104 A N 0.250 123.154 122.820 0.141 0.000 1.930 104 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 104 A C 2.125 179.845 177.584 0.227 0.000 1.175 104 A CA 1.543 53.714 52.037 0.223 0.000 0.627 104 A CB -0.662 18.529 19.000 0.319 0.000 0.815 104 A HN 0.600 8.750 8.150 -0.000 0.000 0.443 105 M N -0.512 119.178 119.600 0.151 0.000 2.099 105 M HA -0.104 4.375 4.480 -0.001 0.000 0.262 105 M C 1.967 178.374 176.300 0.178 0.000 1.067 105 M CA 1.834 57.226 55.300 0.154 0.000 1.124 105 M CB -0.302 32.368 32.600 0.117 0.000 1.353 105 M HN 0.418 8.708 8.290 -0.000 0.000 0.410 106 I N 0.620 121.273 120.570 0.139 0.000 2.226 106 I HA -0.337 3.832 4.170 -0.001 0.000 0.245 106 I C 1.769 177.957 176.117 0.119 0.000 1.100 106 I CA 1.385 62.748 61.300 0.106 0.000 1.374 106 I CB -0.647 37.402 38.000 0.082 0.000 1.057 106 I HN 0.301 8.511 8.210 -0.000 0.000 0.413 107 D N -0.453 120.046 120.400 0.165 0.000 2.117 107 D HA -0.237 4.402 4.640 -0.001 0.000 0.197 107 D C 2.008 178.490 176.300 0.303 0.000 0.987 107 D CA 1.423 55.546 54.000 0.205 0.000 0.829 107 D CB -0.372 40.561 40.800 0.222 0.000 0.961 107 D HN 0.424 8.794 8.370 -0.000 0.000 0.460 108 H N 0.238 119.468 119.070 0.267 0.000 2.321 108 H HA 0.012 4.567 4.556 -0.001 0.000 0.300 108 H C 2.129 177.559 175.328 0.169 0.000 1.087 108 H CA 1.251 57.501 56.048 0.336 0.000 1.319 108 H CB -0.272 29.644 29.762 0.257 0.000 1.379 108 H HN 0.056 8.336 8.280 -0.000 0.000 0.501 109 I N 0.201 120.803 120.570 0.054 0.000 2.163 109 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 109 I C 2.030 178.031 176.117 -0.193 0.000 1.085 109 I CA 1.905 63.131 61.300 -0.124 0.000 1.347 109 I CB -0.386 37.567 38.000 -0.078 0.000 1.044 109 I HN 0.421 8.631 8.210 -0.000 0.000 0.408 110 N N 0.312 118.951 118.700 -0.101 0.000 2.120 110 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 110 N C 1.969 177.354 175.510 -0.208 0.000 1.024 110 N CA 1.106 54.083 53.050 -0.122 0.000 0.852 110 N CB -0.290 38.165 38.487 -0.053 0.000 1.003 110 N HN 0.408 8.788 8.380 -0.000 0.000 0.424 111 G N 0.677 109.296 108.800 -0.302 0.000 2.404 111 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.215 111 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.215 111 G C 1.582 176.166 174.900 -0.526 0.000 1.174 111 G CA 0.561 45.237 45.100 -0.707 0.000 0.780 111 G HN 0.103 8.393 8.290 -0.000 0.000 0.537 112 V N 1.079 120.778 119.914 -0.359 0.000 2.307 112 V HA -0.142 3.977 4.120 -0.001 0.000 0.245 112 V C 2.897 178.971 176.094 -0.032 0.000 1.045 112 V CA 1.931 64.211 62.300 -0.033 0.000 1.024 112 V CB -0.431 31.360 31.823 -0.054 0.000 0.651 112 V HN 0.339 8.529 8.190 -0.000 0.000 0.449 113 M N -0.054 119.417 119.600 -0.215 0.000 2.213 113 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 113 M C 2.351 178.622 176.300 -0.048 0.000 1.062 113 M CA 1.903 57.120 55.300 -0.139 0.000 1.105 113 M CB -0.563 31.854 32.600 -0.305 0.000 1.385 113 M HN 0.410 8.700 8.290 -0.000 0.000 0.417 114 A N -0.654 122.087 122.820 -0.133 0.000 1.933 114 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 114 A C 1.799 179.258 177.584 -0.209 0.000 1.175 114 A CA 2.010 53.962 52.037 -0.143 0.000 0.628 114 A CB -1.041 17.864 19.000 -0.158 0.000 0.814 114 A HN 0.554 8.704 8.150 -0.000 0.000 0.444 115 H N -2.325 116.474 119.070 -0.451 0.000 2.456 115 H HA -0.096 4.460 4.556 -0.001 0.000 0.296 115 H C 0.439 175.292 175.328 -0.791 0.000 1.079 115 H CA 1.674 57.247 56.048 -0.792 0.000 1.322 115 H CB -0.113 28.717 29.762 -1.554 0.000 1.388 115 H HN 0.546 8.826 8.280 -0.000 0.000 0.538 116 Y N 0.163 120.342 120.300 -0.202 0.000 2.681 116 Y HA 0.228 4.778 4.550 -0.001 0.000 0.267 116 Y C 0.438 176.307 175.900 -0.050 0.000 1.166 116 Y CA -0.593 57.406 58.100 -0.168 0.000 1.209 116 Y CB 0.018 38.517 38.460 0.065 0.000 1.161 116 Y HN -0.039 8.241 8.280 -0.000 0.000 0.534 117 K N 0.705 121.115 120.400 0.017 0.000 2.447 117 K HA 0.247 4.567 4.320 -0.001 0.000 0.281 117 K C 1.232 177.853 176.600 0.036 0.000 1.031 117 K CA 1.214 57.528 56.287 0.044 0.000 1.019 117 K CB -0.038 32.450 32.500 -0.021 0.000 0.918 117 K HN 0.605 8.855 8.250 -0.000 0.000 0.476 118 G N 3.744 112.590 108.800 0.077 0.000 2.162 118 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.260 118 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.260 118 G C 0.442 175.386 174.900 0.074 0.000 0.976 118 G CA 0.749 45.886 45.100 0.062 0.000 0.655 118 G HN 0.738 9.028 8.290 -0.000 0.000 0.533 119 K N -0.791 119.670 120.400 0.101 0.000 2.402 119 K HA 0.389 4.708 4.320 -0.001 0.000 0.203 119 K C 0.300 176.985 176.600 0.142 0.000 1.077 119 K CA -0.108 56.265 56.287 0.143 0.000 1.051 119 K CB 1.037 33.611 32.500 0.124 0.000 0.907 119 K HN 0.306 8.556 8.250 -0.000 0.000 0.554 120 I N 1.606 122.212 120.570 0.061 0.000 2.382 120 I HA 0.071 4.240 4.170 -0.001 0.000 0.286 120 I C 1.251 177.314 176.117 -0.090 0.000 1.002 120 I CA -0.341 60.893 61.300 -0.110 0.000 1.135 120 I CB 1.631 39.429 38.000 -0.336 0.000 1.288 120 I HN -0.197 8.013 8.210 -0.000 0.000 0.448 121 V N 6.673 126.517 119.914 -0.117 0.000 2.453 121 V HA -0.043 4.077 4.120 -0.001 0.000 0.247 121 V C 0.778 176.846 176.094 -0.042 0.000 1.048 121 V CA 1.801 64.063 62.300 -0.064 0.000 1.049 121 V CB 0.143 31.916 31.823 -0.083 0.000 0.672 121 V HN 0.800 8.990 8.190 -0.000 0.000 0.457 122 Q N -1.632 118.098 119.800 -0.118 0.000 2.331 122 Q HA 0.336 4.675 4.340 -0.001 0.000 0.272 122 Q C -1.988 173.933 176.000 -0.131 0.000 1.062 122 Q CA -0.431 55.350 55.803 -0.037 0.000 0.806 122 Q CB 2.270 30.995 28.738 -0.021 0.000 1.312 122 Q HN 0.497 8.767 8.270 -0.000 0.000 0.431 123 W N 1.498 122.821 121.300 0.039 0.000 2.573 123 W HA 0.302 4.962 4.660 -0.001 0.000 0.326 123 W C -0.464 176.065 176.519 0.017 0.000 1.049 123 W CA -0.431 56.926 57.345 0.021 0.000 1.220 123 W CB 1.480 30.942 29.460 0.003 0.000 1.373 123 W HN 0.435 8.615 8.180 -0.000 0.000 0.507 124 D N 3.190 123.768 120.400 0.296 0.000 2.470 124 D HA 0.047 4.687 4.640 -0.001 0.000 0.226 124 D C 1.140 177.502 176.300 0.103 0.000 1.196 124 D CA 0.252 54.340 54.000 0.146 0.000 0.979 124 D CB 1.030 41.883 40.800 0.089 0.000 1.059 124 D HN 0.106 8.476 8.370 -0.000 0.000 0.515 125 V N 1.738 121.650 119.914 -0.004 0.000 2.307 125 V HA -0.101 4.018 4.120 -0.001 0.000 0.245 125 V C 1.080 177.049 176.094 -0.208 0.000 1.045 125 V CA 0.992 63.151 62.300 -0.235 0.000 1.024 125 V CB 0.135 31.512 31.823 -0.744 0.000 0.651 125 V HN 0.249 8.439 8.190 -0.000 0.000 0.449 126 V N 0.588 120.404 119.914 -0.164 0.000 2.656 126 V HA 0.521 4.640 4.120 -0.001 0.000 0.307 126 V C -0.840 175.156 176.094 -0.163 0.000 1.051 126 V CA -0.717 61.574 62.300 -0.014 0.000 0.893 126 V CB 1.911 33.812 31.823 0.129 0.000 0.999 126 V HN 0.428 8.618 8.190 -0.000 0.000 0.426 127 N N 2.021 120.633 118.700 -0.146 0.000 2.258 127 N HA 0.395 5.135 4.740 -0.001 0.000 0.299 127 N C -0.349 175.134 175.510 -0.045 0.000 1.047 127 N CA -0.491 52.324 53.050 -0.392 0.000 0.814 127 N CB 1.587 39.515 38.487 -0.932 0.000 1.413 127 N HN 0.748 9.128 8.380 -0.000 0.000 0.478 128 E N 0.882 121.071 120.200 -0.019 0.000 2.252 128 E HA -0.241 4.109 4.350 -0.001 0.000 0.218 128 E C -0.224 176.627 176.600 0.418 0.000 1.253 128 E CA 0.592 57.176 56.400 0.307 0.000 0.705 128 E CB -1.340 28.747 29.700 0.646 0.000 1.172 128 E HN 0.585 8.945 8.360 -0.000 0.000 0.369 129 A N -0.184 122.854 122.820 0.364 0.000 2.218 129 A HA 0.212 4.531 4.320 -0.001 0.000 0.209 129 A C 0.339 177.828 177.584 -0.159 0.000 1.168 129 A CA 0.264 52.433 52.037 0.219 0.000 0.804 129 A CB 0.243 19.289 19.000 0.077 0.000 0.834 129 A HN 0.217 8.367 8.150 -0.000 0.000 0.482 130 F N -0.087 119.978 119.950 0.193 0.000 2.397 130 F HA 0.599 5.126 4.527 -0.001 0.000 0.331 130 F C 0.880 176.693 175.800 0.021 0.000 1.090 130 F CA -0.751 57.297 58.000 0.080 0.000 1.065 130 F CB 1.232 40.256 39.000 0.040 0.000 1.184 130 F HN 0.124 8.424 8.300 -0.000 0.000 0.499 131 A N 2.299 125.233 122.820 0.190 0.000 2.366 131 A HA 0.229 4.549 4.320 -0.001 0.000 0.249 131 A C 0.039 177.660 177.584 0.061 0.000 1.084 131 A CA -0.605 51.486 52.037 0.089 0.000 0.794 131 A CB 0.068 19.112 19.000 0.072 0.000 1.034 131 A HN 0.716 8.866 8.150 -0.000 0.000 0.491 132 D N -0.305 120.114 120.400 0.031 0.000 2.377 132 D HA 0.498 5.137 4.640 -0.001 0.000 0.245 132 D C 0.866 177.153 176.300 -0.021 0.000 1.196 132 D CA 1.541 55.538 54.000 -0.004 0.000 0.962 132 D CB 1.061 41.881 40.800 0.034 0.000 1.127 132 D HN 1.150 9.520 8.370 -0.000 0.000 0.471 133 G N -0.367 108.392 108.800 -0.068 0.000 2.548 133 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.208 133 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.208 133 G C -0.006 174.852 174.900 -0.070 0.000 1.308 133 G CA -0.052 45.007 45.100 -0.069 0.000 0.924 133 G HN 0.362 8.652 8.290 -0.000 0.000 0.540 134 S N 0.117 115.789 115.700 -0.047 0.000 2.602 134 S HA 0.327 4.796 4.470 -0.001 0.000 0.240 134 S C 1.982 176.573 174.600 -0.016 0.000 0.992 134 S CA 0.913 59.092 58.200 -0.036 0.000 0.971 134 S CB 0.453 63.634 63.200 -0.032 0.000 0.855 134 S HN 1.596 9.906 8.310 -0.000 0.000 0.481 135 S N 1.157 116.855 115.700 -0.004 0.000 2.461 135 S HA 0.220 4.689 4.470 -0.001 0.000 0.228 135 S C 1.770 176.380 174.600 0.017 0.000 1.005 135 S CA 0.751 58.956 58.200 0.009 0.000 0.942 135 S CB -0.442 62.770 63.200 0.020 0.000 0.776 135 S HN 0.799 9.109 8.310 -0.000 0.000 0.514 136 G N 0.974 109.785 108.800 0.018 0.000 2.162 136 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.260 136 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.260 136 G C 0.238 175.209 174.900 0.118 0.000 0.976 136 G CA 0.173 45.284 45.100 0.018 0.000 0.655 136 G HN 1.248 9.538 8.290 -0.000 0.000 0.533 137 A N -0.157 122.747 122.820 0.141 0.000 2.271 137 A HA 0.804 5.123 4.320 -0.001 0.000 0.288 137 A C 0.828 178.560 177.584 0.247 0.000 1.094 137 A CA -0.478 51.659 52.037 0.167 0.000 0.828 137 A CB 0.555 19.610 19.000 0.092 0.000 1.091 137 A HN 0.330 8.480 8.150 -0.000 0.000 0.493 138 R N 0.691 121.279 120.500 0.147 0.000 2.594 138 R HA 0.126 4.466 4.340 -0.001 0.000 0.272 138 R C 0.433 176.755 176.300 0.037 0.000 1.074 138 R CA -0.258 55.852 56.100 0.016 0.000 1.105 138 R CB 0.383 30.686 30.300 0.005 0.000 1.008 138 R HN 0.805 9.075 8.270 -0.000 0.000 0.472 139 R N 1.542 122.048 120.500 0.011 0.000 2.537 139 R HA -0.075 4.264 4.340 -0.001 0.000 0.280 139 R C -0.519 175.768 176.300 -0.022 0.000 1.058 139 R CA -0.090 56.003 56.100 -0.012 0.000 1.057 139 R CB 0.378 30.641 30.300 -0.062 0.000 0.973 139 R HN 0.426 8.696 8.270 -0.000 0.000 0.438 140 D N 2.209 122.582 120.400 -0.045 0.000 2.339 140 D HA 0.123 4.762 4.640 -0.001 0.000 0.256 140 D C -1.147 175.096 176.300 -0.094 0.000 1.214 140 D CA 0.291 54.260 54.000 -0.052 0.000 0.877 140 D CB 0.723 41.499 40.800 -0.040 0.000 1.111 140 D HN 0.559 8.929 8.370 -0.000 0.000 0.478 141 S N 2.469 118.099 115.700 -0.116 0.000 2.625 141 S HA 0.278 4.747 4.470 -0.001 0.000 0.271 141 S C 0.954 175.439 174.600 -0.191 0.000 1.161 141 S CA -0.834 57.277 58.200 -0.149 0.000 0.820 141 S CB 0.935 64.039 63.200 -0.161 0.000 1.137 141 S HN 0.383 8.693 8.310 -0.000 0.000 0.470 142 N N 1.290 119.873 118.700 -0.195 0.000 2.149 142 N HA -0.135 4.605 4.740 -0.001 0.000 0.188 142 N C 1.492 176.823 175.510 -0.298 0.000 1.019 142 N CA 1.659 54.587 53.050 -0.204 0.000 0.857 142 N CB -1.072 37.306 38.487 -0.181 0.000 0.997 142 N HN 0.666 9.046 8.380 -0.000 0.000 0.426 143 L N -0.261 120.672 121.223 -0.483 0.000 2.017 143 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 143 L C 2.872 179.171 176.870 -0.951 0.000 1.073 143 L CA 1.530 55.865 54.840 -0.842 0.000 0.745 143 L CB -0.593 40.606 42.059 -1.434 0.000 0.894 143 L HN 0.229 8.459 8.230 -0.000 0.000 0.432 144 Q N 0.537 119.895 119.800 -0.737 0.000 2.084 144 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 144 Q C 2.188 178.136 176.000 -0.088 0.000 0.978 144 Q CA 1.606 57.264 55.803 -0.241 0.000 0.844 144 Q CB -0.054 28.691 28.738 0.012 0.000 0.898 144 Q HN 0.282 8.552 8.270 -0.000 0.000 0.426 145 R N -0.183 120.243 120.500 -0.124 0.000 2.237 145 R HA -0.031 4.308 4.340 -0.001 0.000 0.219 145 R C 2.318 178.592 176.300 -0.044 0.000 1.080 145 R CA 1.007 57.071 56.100 -0.060 0.000 0.995 145 R CB -0.217 30.044 30.300 -0.066 0.000 0.875 145 R HN 0.418 8.688 8.270 -0.000 0.000 0.462 146 S N -0.468 115.188 115.700 -0.073 0.000 2.453 146 S HA 0.048 4.517 4.470 -0.001 0.000 0.231 146 S C 0.850 175.476 174.600 0.044 0.000 1.005 146 S CA 0.521 58.707 58.200 -0.023 0.000 0.949 146 S CB 0.366 63.541 63.200 -0.042 0.000 0.774 146 S HN 0.407 8.717 8.310 -0.000 0.000 0.510 147 G N 0.521 109.374 108.800 0.088 0.000 2.301 147 G HA2 0.138 4.097 3.960 -0.001 0.000 0.290 147 G HA3 0.138 4.097 3.960 -0.001 0.000 0.290 147 G C -0.258 174.798 174.900 0.260 0.000 1.669 147 G CA -0.316 44.869 45.100 0.141 0.000 0.945 147 G HN 0.063 8.353 8.290 -0.000 0.000 0.710 148 N N 0.413 119.237 118.700 0.207 0.000 2.289 148 N HA -0.121 4.618 4.740 -0.001 0.000 0.184 148 N C 1.849 177.474 175.510 0.193 0.000 1.016 148 N CA 1.963 55.148 53.050 0.225 0.000 0.872 148 N CB 0.141 38.706 38.487 0.131 0.000 0.973 148 N HN 0.635 9.015 8.380 -0.000 0.000 0.433 149 D N -0.038 120.464 120.400 0.169 0.000 2.392 149 D HA -0.164 4.475 4.640 -0.001 0.000 0.228 149 D C 1.687 178.085 176.300 0.163 0.000 1.003 149 D CA 0.193 54.267 54.000 0.124 0.000 0.917 149 D CB -1.032 39.827 40.800 0.098 0.000 0.890 149 D HN 0.618 8.988 8.370 -0.000 0.000 0.532 150 W N 1.263 122.610 121.300 0.077 0.000 2.363 150 W HA -0.088 4.572 4.660 -0.001 0.000 0.296 150 W C 1.572 178.165 176.519 0.124 0.000 1.212 150 W CA 0.138 57.531 57.345 0.080 0.000 1.260 150 W CB -1.053 28.447 29.460 0.066 0.000 1.131 150 W HN -0.046 8.134 8.180 -0.000 0.000 0.530 151 I N 1.384 121.642 120.570 -0.519 0.000 2.163 151 I HA -0.283 3.886 4.170 -0.001 0.000 0.240 151 I C 2.765 178.925 176.117 0.071 0.000 1.081 151 I CA 2.258 63.312 61.300 -0.409 0.000 1.353 151 I CB -0.853 36.889 38.000 -0.429 0.000 1.054 151 I HN 0.007 8.217 8.210 -0.000 0.000 0.407 152 E N 1.244 121.433 120.200 -0.018 0.000 2.085 152 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 152 E C 2.277 178.848 176.600 -0.047 0.000 0.994 152 E CA 1.633 57.901 56.400 -0.221 0.000 0.801 152 E CB 0.102 29.640 29.700 -0.270 0.000 0.743 152 E HN 0.259 8.619 8.360 -0.000 0.000 0.453 153 V N 1.174 121.102 119.914 0.024 0.000 2.407 153 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 153 V C 2.470 178.598 176.094 0.058 0.000 1.055 153 V CA 1.695 64.025 62.300 0.051 0.000 1.049 153 V CB -0.762 31.114 31.823 0.090 0.000 0.662 153 V HN 0.478 8.668 8.190 -0.000 0.000 0.455 154 A N -0.357 122.507 122.820 0.073 0.000 1.883 154 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 154 A C 2.045 179.563 177.584 -0.111 0.000 1.186 154 A CA 2.002 54.034 52.037 -0.008 0.000 0.624 154 A CB -0.748 18.241 19.000 -0.018 0.000 0.822 154 A HN 0.470 8.620 8.150 -0.000 0.000 0.444 155 F N -0.248 119.677 119.950 -0.041 0.000 2.146 155 F HA -0.089 4.438 4.527 -0.001 0.000 0.298 155 F C 2.620 178.383 175.800 -0.062 0.000 1.096 155 F CA 1.658 59.628 58.000 -0.049 0.000 1.275 155 F CB -0.226 38.716 39.000 -0.097 0.000 1.008 155 F HN 0.099 8.399 8.300 -0.000 0.000 0.480 156 R N -0.602 119.949 120.500 0.086 0.000 2.092 156 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 156 R C 2.063 178.372 176.300 0.014 0.000 1.119 156 R CA 1.822 57.939 56.100 0.029 0.000 0.970 156 R CB -0.972 29.326 30.300 -0.003 0.000 0.864 156 R HN 0.217 8.487 8.270 -0.000 0.000 0.440 157 T N 0.972 115.527 114.554 0.002 0.000 2.746 157 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 157 T C 1.980 176.654 174.700 -0.044 0.000 1.039 157 T CA 1.406 63.497 62.100 -0.016 0.000 1.142 157 T CB -0.212 68.649 68.868 -0.012 0.000 0.866 157 T HN 0.366 8.606 8.240 -0.000 0.000 0.444 158 A N 1.811 124.587 122.820 -0.072 0.000 1.902 158 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 158 A C 2.257 179.821 177.584 -0.034 0.000 1.181 158 A CA 1.969 53.940 52.037 -0.111 0.000 0.623 158 A CB -0.528 18.363 19.000 -0.182 0.000 0.818 158 A HN 0.357 8.507 8.150 -0.000 0.000 0.443 159 R N 0.245 120.757 120.500 0.020 0.000 2.081 159 R HA 0.002 4.341 4.340 -0.001 0.000 0.235 159 R C 2.045 178.358 176.300 0.023 0.000 1.131 159 R CA 1.962 58.089 56.100 0.046 0.000 0.960 159 R CB -0.782 29.556 30.300 0.063 0.000 0.856 159 R HN 0.361 8.631 8.270 -0.000 0.000 0.436 160 A N 0.109 122.933 122.820 0.007 0.000 1.969 160 A HA 0.085 4.405 4.320 -0.001 0.000 0.218 160 A C 2.323 179.902 177.584 -0.010 0.000 1.169 160 A CA 1.406 53.443 52.037 0.000 0.000 0.635 160 A CB -0.820 18.178 19.000 -0.003 0.000 0.810 160 A HN 0.492 8.642 8.150 -0.000 0.000 0.445 161 A N -1.247 121.556 122.820 -0.027 0.000 1.930 161 A HA 0.068 4.387 4.320 -0.001 0.000 0.217 161 A C 0.846 178.417 177.584 -0.022 0.000 1.175 161 A CA 1.615 53.626 52.037 -0.044 0.000 0.627 161 A CB -0.022 18.925 19.000 -0.089 0.000 0.815 161 A HN 0.394 8.544 8.150 -0.000 0.000 0.443 162 D N -2.635 117.766 120.400 0.002 0.000 2.337 162 D HA 0.301 4.941 4.640 -0.001 0.000 0.238 162 D C -2.636 173.704 176.300 0.065 0.000 1.331 162 D CA -1.403 52.624 54.000 0.045 0.000 0.967 162 D CB 1.228 42.084 40.800 0.093 0.000 1.382 162 D HN -0.096 8.274 8.370 -0.000 0.000 0.549 163 P HA 0.026 4.446 4.420 -0.000 0.000 0.230 163 P C 0.938 178.280 177.300 0.070 0.000 1.158 163 P CA 0.514 63.648 63.100 0.057 0.000 0.769 163 P CB 0.457 32.181 31.700 0.039 0.000 0.807 164 S N -0.952 114.794 115.700 0.076 0.000 2.496 164 S HA 0.189 4.658 4.470 -0.001 0.000 0.224 164 S C 1.139 175.799 174.600 0.101 0.000 0.996 164 S CA 0.068 58.314 58.200 0.078 0.000 0.927 164 S CB -0.329 62.912 63.200 0.068 0.000 0.774 164 S HN 0.150 8.460 8.310 -0.000 0.000 0.524 165 A N 1.935 124.840 122.820 0.142 0.000 2.354 165 A HA 0.418 4.737 4.320 -0.001 0.000 0.269 165 A C 0.061 177.750 177.584 0.174 0.000 1.109 165 A CA -0.432 51.714 52.037 0.182 0.000 0.800 165 A CB 0.304 19.511 19.000 0.344 0.000 1.045 165 A HN 0.265 8.415 8.150 -0.000 0.000 0.489 166 K N 1.605 122.097 120.400 0.153 0.000 2.322 166 K HA 0.348 4.668 4.320 -0.001 0.000 0.283 166 K C -0.988 175.747 176.600 0.225 0.000 1.042 166 K CA 0.212 56.597 56.287 0.164 0.000 0.958 166 K CB 0.568 33.148 32.500 0.134 0.000 0.984 166 K HN 0.582 8.832 8.250 -0.000 0.000 0.473 167 L N 4.301 125.683 121.223 0.266 0.000 2.262 167 L HA 0.320 4.659 4.340 -0.001 0.000 0.288 167 L C -0.464 176.687 176.870 0.469 0.000 1.035 167 L CA -0.907 54.155 54.840 0.369 0.000 0.820 167 L CB 0.927 43.246 42.059 0.434 0.000 1.204 167 L HN 0.654 8.884 8.230 -0.000 0.000 0.424 168 c N 2.016 120.857 118.600 0.402 0.000 2.391 168 c HA 0.409 4.978 4.570 -0.001 0.000 0.339 168 c C -0.058 174.324 174.090 0.487 0.000 1.205 168 c CA -0.918 55.631 56.329 0.367 0.000 1.937 168 c CB 1.189 43.814 42.510 0.191 0.000 2.341 168 c HN 0.603 8.833 8.230 -0.000 0.000 0.516 169 Y N 2.715 123.235 120.300 0.366 0.000 2.326 169 Y HA 0.485 5.034 4.550 -0.001 0.000 0.337 169 Y C -0.056 175.870 175.900 0.043 0.000 1.023 169 Y CA 0.062 58.333 58.100 0.285 0.000 1.143 169 Y CB 0.431 39.014 38.460 0.205 0.000 1.183 169 Y HN 0.800 9.080 8.280 -0.000 0.000 0.485 170 N N 4.179 122.369 118.700 -0.851 0.000 2.258 170 N HA 0.406 5.145 4.740 -0.001 0.000 0.299 170 N C -2.090 173.053 175.510 -0.612 0.000 1.047 170 N CA -0.399 52.316 53.050 -0.558 0.000 0.814 170 N CB 1.437 39.725 38.487 -0.332 0.000 1.413 170 N HN 0.749 9.129 8.380 -0.000 0.000 0.478 171 D N 0.187 120.383 120.400 -0.339 0.000 2.639 171 D HA 0.272 4.911 4.640 -0.001 0.000 0.271 171 D C -1.484 174.813 176.300 -0.006 0.000 1.254 171 D CA -0.251 53.673 54.000 -0.127 0.000 0.810 171 D CB 1.052 41.868 40.800 0.026 0.000 1.351 171 D HN 0.432 8.802 8.370 -0.000 0.000 0.427 172 Y N -0.475 119.859 120.300 0.057 0.000 2.598 172 Y HA 0.562 5.112 4.550 -0.001 0.000 0.340 172 Y C 0.408 176.409 175.900 0.168 0.000 1.038 172 Y CA -0.906 57.251 58.100 0.095 0.000 1.100 172 Y CB 0.679 39.221 38.460 0.136 0.000 1.281 172 Y HN 0.276 8.556 8.280 -0.000 0.000 0.488 173 N N -0.241 118.661 118.700 0.337 0.000 2.735 173 N HA -0.150 4.589 4.740 -0.001 0.000 0.248 173 N C -0.300 175.469 175.510 0.432 0.000 1.083 173 N CA 1.235 54.490 53.050 0.342 0.000 0.703 173 N CB -1.451 37.081 38.487 0.076 0.000 1.005 173 N HN 1.002 9.382 8.380 -0.000 0.000 0.550 174 V N -4.071 116.105 119.914 0.437 0.000 3.111 174 V HA 0.376 4.496 4.120 -0.001 0.000 0.343 174 V C 1.081 177.494 176.094 0.532 0.000 1.417 174 V CA -0.156 62.403 62.300 0.432 0.000 1.142 174 V CB 0.842 32.814 31.823 0.248 0.000 1.114 174 V HN -0.046 8.144 8.190 -0.000 0.000 0.520 175 E N 0.855 121.315 120.200 0.433 0.000 2.276 175 E HA 0.154 4.504 4.350 -0.001 0.000 0.193 175 E C 1.036 177.691 176.600 0.092 0.000 0.983 175 E CA 0.267 56.850 56.400 0.304 0.000 0.861 175 E CB -0.005 29.688 29.700 -0.013 0.000 0.817 175 E HN 0.588 8.948 8.360 -0.000 0.000 0.485 176 N N 0.647 119.115 118.700 -0.387 0.000 2.422 176 N HA -0.062 4.678 4.740 -0.001 0.000 0.264 176 N C 0.137 175.442 175.510 -0.342 0.000 1.063 176 N CA -0.134 52.481 53.050 -0.725 0.000 0.959 176 N CB 0.387 37.681 38.487 -1.989 0.000 1.087 176 N HN 0.252 8.632 8.380 -0.000 0.000 0.483 177 W N 3.469 124.599 121.300 -0.284 0.000 2.350 177 W HA -0.207 4.453 4.660 -0.001 0.000 0.289 177 W C 1.244 177.677 176.519 -0.143 0.000 1.215 177 W CA 1.893 59.151 57.345 -0.146 0.000 1.236 177 W CB 0.114 29.490 29.460 -0.140 0.000 1.130 177 W HN 0.653 8.833 8.180 -0.000 0.000 0.541 178 T N -2.537 111.847 114.554 -0.285 0.000 3.085 178 T HA -0.107 4.242 4.350 -0.001 0.000 0.263 178 T C 0.490 175.129 174.700 -0.102 0.000 1.127 178 T CA 0.075 62.017 62.100 -0.264 0.000 1.103 178 T CB -0.596 68.192 68.868 -0.133 0.000 0.921 178 T HN -0.064 8.176 8.240 -0.000 0.000 0.510 179 W N 1.173 122.398 121.300 -0.124 0.000 2.202 179 W HA 0.700 5.359 4.660 -0.001 0.000 0.332 179 W C 1.587 178.021 176.519 -0.142 0.000 1.263 179 W CA -1.559 55.731 57.345 -0.091 0.000 1.223 179 W CB 0.377 29.823 29.460 -0.024 0.000 1.128 179 W HN 0.215 8.395 8.180 -0.000 0.000 0.573 180 A N 2.666 125.552 122.820 0.110 0.000 1.940 180 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 180 A C 2.086 179.647 177.584 -0.038 0.000 1.176 180 A CA 1.839 53.870 52.037 -0.010 0.000 0.631 180 A CB -0.458 18.530 19.000 -0.020 0.000 0.814 180 A HN 0.699 8.849 8.150 -0.000 0.000 0.446 181 K N -0.860 119.548 120.400 0.012 0.000 2.025 181 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 181 K C 2.036 178.604 176.600 -0.054 0.000 1.049 181 K CA 1.792 58.054 56.287 -0.042 0.000 0.933 181 K CB -0.327 32.174 32.500 0.001 0.000 0.714 181 K HN 0.468 8.718 8.250 -0.000 0.000 0.438 182 T N 1.574 116.195 114.554 0.111 0.000 2.684 182 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 182 T C 1.795 176.539 174.700 0.073 0.000 1.036 182 T CA 1.194 63.401 62.100 0.177 0.000 1.148 182 T CB -0.156 68.844 68.868 0.219 0.000 0.863 182 T HN 0.274 8.514 8.240 -0.000 0.000 0.436 183 Q N 0.654 120.380 119.800 -0.124 0.000 2.167 183 Q HA 0.091 4.430 4.340 -0.001 0.000 0.202 183 Q C 2.715 178.629 176.000 -0.143 0.000 0.970 183 Q CA 1.373 57.058 55.803 -0.196 0.000 0.855 183 Q CB -0.685 27.886 28.738 -0.278 0.000 0.911 183 Q HN 0.603 8.873 8.270 -0.000 0.000 0.438 184 A N 0.893 123.551 122.820 -0.269 0.000 1.898 184 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 184 A C 2.137 179.287 177.584 -0.723 0.000 1.181 184 A CA 1.545 53.298 52.037 -0.472 0.000 0.620 184 A CB -0.536 18.093 19.000 -0.619 0.000 0.819 184 A HN 0.379 8.529 8.150 -0.000 0.000 0.442 185 M N -2.052 117.102 119.600 -0.742 0.000 2.086 185 M HA -0.164 4.316 4.480 -0.001 0.000 0.261 185 M C 2.139 178.465 176.300 0.042 0.000 1.067 185 M CA 2.184 57.242 55.300 -0.404 0.000 1.116 185 M CB -0.327 32.228 32.600 -0.075 0.000 1.348 185 M HN 0.535 8.825 8.290 -0.000 0.000 0.407 186 Y N 1.466 121.812 120.300 0.078 0.000 2.128 186 Y HA -0.308 4.242 4.550 -0.001 0.000 0.284 186 Y C 1.989 177.765 175.900 -0.207 0.000 1.154 186 Y CA 2.259 60.247 58.100 -0.186 0.000 1.149 186 Y CB -0.460 37.803 38.460 -0.329 0.000 0.976 186 Y HN 0.387 8.667 8.280 -0.000 0.000 0.505 187 N N 0.003 118.637 118.700 -0.110 0.000 2.166 187 N HA -0.222 4.517 4.740 -0.001 0.000 0.186 187 N C 2.007 177.359 175.510 -0.263 0.000 1.019 187 N CA 1.704 54.645 53.050 -0.182 0.000 0.856 187 N CB -0.535 37.896 38.487 -0.093 0.000 0.993 187 N HN 0.529 8.909 8.380 -0.000 0.000 0.426 188 M N 0.367 119.788 119.600 -0.298 0.000 2.099 188 M HA -0.098 4.382 4.480 -0.001 0.000 0.262 188 M C 1.562 177.443 176.300 -0.699 0.000 1.067 188 M CA 1.280 56.283 55.300 -0.495 0.000 1.124 188 M CB 0.060 32.367 32.600 -0.489 0.000 1.353 188 M HN -0.123 8.167 8.290 -0.000 0.000 0.410 189 V N 0.518 120.140 119.914 -0.486 0.000 2.427 189 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 189 V C 2.439 178.374 176.094 -0.265 0.000 1.051 189 V CA 2.095 64.189 62.300 -0.343 0.000 1.048 189 V CB -1.036 30.750 31.823 -0.063 0.000 0.666 189 V HN 0.549 8.739 8.190 -0.000 0.000 0.456 190 R N 0.522 120.790 120.500 -0.387 0.000 2.073 190 R HA -0.236 4.104 4.340 -0.001 0.000 0.234 190 R C 2.149 178.348 176.300 -0.169 0.000 1.134 190 R CA 2.323 58.220 56.100 -0.339 0.000 0.952 190 R CB -0.483 29.525 30.300 -0.488 0.000 0.850 190 R HN 0.597 8.867 8.270 -0.000 0.000 0.433 191 D N -0.529 119.774 120.400 -0.162 0.000 2.117 191 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 191 D C 1.623 177.987 176.300 0.107 0.000 0.987 191 D CA 1.233 55.209 54.000 -0.039 0.000 0.829 191 D CB -0.072 40.703 40.800 -0.042 0.000 0.961 191 D HN 0.184 8.554 8.370 -0.000 0.000 0.460 192 F N 0.947 120.819 119.950 -0.130 0.000 2.102 192 F HA -0.063 4.463 4.527 -0.001 0.000 0.298 192 F C 2.294 178.027 175.800 -0.111 0.000 1.105 192 F CA 0.936 58.854 58.000 -0.137 0.000 1.239 192 F CB -0.683 38.193 39.000 -0.208 0.000 0.991 192 F HN -0.001 8.299 8.300 -0.000 0.000 0.474 193 K N 0.336 120.788 120.400 0.087 0.000 2.211 193 K HA -0.107 4.213 4.320 -0.001 0.000 0.203 193 K C 1.914 178.517 176.600 0.005 0.000 1.050 193 K CA 0.773 57.073 56.287 0.021 0.000 0.945 193 K CB -0.636 31.857 32.500 -0.011 0.000 0.732 193 K HN 0.435 8.685 8.250 -0.000 0.000 0.451 194 Q N 0.034 119.835 119.800 0.002 0.000 2.230 194 Q HA 0.001 4.340 4.340 -0.001 0.000 0.202 194 Q C 1.589 177.592 176.000 0.005 0.000 0.963 194 Q CA 0.932 56.733 55.803 -0.003 0.000 0.866 194 Q CB 0.109 28.840 28.738 -0.012 0.000 0.931 194 Q HN 0.209 8.479 8.270 -0.000 0.000 0.452 195 R N -0.962 119.547 120.500 0.016 0.000 2.334 195 R HA 0.134 4.473 4.340 -0.001 0.000 0.216 195 R C 0.730 177.019 176.300 -0.019 0.000 0.905 195 R CA 0.548 56.649 56.100 0.003 0.000 1.064 195 R CB 0.864 31.171 30.300 0.013 0.000 1.046 195 R HN 0.319 8.589 8.270 -0.000 0.000 0.508 196 G N 1.127 109.915 108.800 -0.020 0.000 2.141 196 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.242 196 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.242 196 G C 0.206 175.063 174.900 -0.072 0.000 0.982 196 G CA -0.027 45.054 45.100 -0.033 0.000 0.662 196 G HN 0.126 8.416 8.290 -0.000 0.000 0.527 197 V N 2.702 122.537 119.914 -0.132 0.000 2.529 197 V HA 0.317 4.436 4.120 -0.001 0.000 0.292 197 V C -1.096 174.881 176.094 -0.196 0.000 1.028 197 V CA -0.638 61.498 62.300 -0.275 0.000 1.074 197 V CB 0.980 32.383 31.823 -0.700 0.000 0.958 197 V HN 0.281 8.471 8.190 -0.000 0.000 0.481 198 P HA 0.340 4.760 4.420 -0.000 0.000 0.274 198 P C -0.620 176.678 177.300 -0.004 0.000 1.291 198 P CA 0.291 63.383 63.100 -0.013 0.000 0.815 198 P CB 0.664 32.396 31.700 0.053 0.000 0.897 199 I N 2.863 123.413 120.570 -0.034 0.000 2.610 199 I HA 0.257 4.427 4.170 -0.001 0.000 0.289 199 I C -0.232 175.922 176.117 0.062 0.000 1.163 199 I CA -0.553 60.708 61.300 -0.065 0.000 1.044 199 I CB 2.382 40.205 38.000 -0.295 0.000 1.251 199 I HN 0.043 8.253 8.210 -0.000 0.000 0.424 200 D N 5.755 126.240 120.400 0.143 0.000 2.449 200 D HA 0.163 4.803 4.640 -0.001 0.000 0.210 200 D C 0.026 176.413 176.300 0.145 0.000 1.094 200 D CA 0.433 54.514 54.000 0.135 0.000 0.846 200 D CB 0.902 41.791 40.800 0.148 0.000 1.003 200 D HN 0.478 8.848 8.370 -0.000 0.000 0.504 201 c N -0.169 118.533 118.600 0.171 0.000 3.307 201 c HA 0.656 5.226 4.570 -0.001 0.000 0.333 201 c C -1.680 172.510 174.090 0.167 0.000 1.291 201 c CA -0.530 55.901 56.329 0.169 0.000 1.273 201 c CB 1.175 43.785 42.510 0.167 0.000 1.580 201 c HN -0.106 8.124 8.230 -0.000 0.000 0.481 202 V N 2.985 122.975 119.914 0.127 0.000 2.531 202 V HA 0.786 4.906 4.120 -0.001 0.000 0.301 202 V C 0.766 176.791 176.094 -0.115 0.000 1.034 202 V CA 0.435 62.725 62.300 -0.016 0.000 0.865 202 V CB 1.697 33.448 31.823 -0.119 0.000 0.995 202 V HN 1.320 9.510 8.190 -0.000 0.000 0.424 203 G N 3.217 111.877 108.800 -0.234 0.000 2.343 203 G HA2 0.661 4.620 3.960 -0.001 0.000 0.319 203 G HA3 0.661 4.620 3.960 -0.001 0.000 0.319 203 G C -1.216 173.417 174.900 -0.445 0.000 1.126 203 G CA -0.289 44.698 45.100 -0.188 0.000 0.889 203 G HN 0.427 8.717 8.290 -0.000 0.000 0.457 204 F N 1.192 121.139 119.950 -0.006 0.000 2.375 204 F HA 0.296 4.822 4.527 -0.001 0.000 0.361 204 F C 1.661 177.417 175.800 -0.073 0.000 1.117 204 F CA -0.592 57.423 58.000 0.024 0.000 1.037 204 F CB 2.162 41.300 39.000 0.230 0.000 1.192 204 F HN 0.520 8.820 8.300 -0.000 0.000 0.452 205 Q N 1.231 120.994 119.800 -0.061 0.000 2.135 205 Q HA -0.157 4.183 4.340 -0.001 0.000 0.204 205 Q C 0.740 176.471 176.000 -0.449 0.000 0.981 205 Q CA 1.523 57.153 55.803 -0.289 0.000 0.856 205 Q CB -0.113 28.476 28.738 -0.248 0.000 0.902 205 Q HN 0.813 9.083 8.270 -0.000 0.000 0.425 206 S N 0.124 115.568 115.700 -0.426 0.000 3.698 206 S HA -0.110 4.359 4.470 -0.001 0.000 0.338 206 S C -0.675 173.370 174.600 -0.925 0.000 1.089 206 S CA 0.125 57.812 58.200 -0.854 0.000 0.991 206 S CB -1.633 61.336 63.200 -0.386 0.000 0.909 206 S HN 0.436 8.746 8.310 -0.000 0.000 0.485 207 H N 0.620 119.408 119.070 -0.469 0.000 3.109 207 H HA 0.312 4.867 4.556 -0.001 0.000 0.266 207 H C 0.022 175.205 175.328 -0.242 0.000 1.334 207 H CA 0.014 55.940 56.048 -0.205 0.000 1.456 207 H CB -0.404 29.366 29.762 0.013 0.000 1.587 207 H HN 0.260 8.540 8.280 -0.000 0.000 0.500 208 F N 3.265 123.302 119.950 0.147 0.000 2.408 208 F HA 0.189 4.715 4.527 -0.001 0.000 0.344 208 F C 0.811 176.670 175.800 0.097 0.000 1.112 208 F CA -0.653 57.410 58.000 0.104 0.000 1.096 208 F CB 0.986 40.006 39.000 0.033 0.000 1.129 208 F HN 0.546 8.846 8.300 -0.000 0.000 0.486 209 N N -1.817 117.059 118.700 0.294 0.000 3.378 209 N HA 0.184 4.923 4.740 -0.001 0.000 0.294 209 N C 0.137 175.739 175.510 0.154 0.000 1.544 209 N CA -0.268 52.888 53.050 0.175 0.000 0.872 209 N CB 0.257 38.810 38.487 0.111 0.000 1.670 209 N HN 0.196 8.576 8.380 -0.000 0.000 0.551 210 S N -2.151 113.610 115.700 0.102 0.000 2.423 210 S HA 0.029 4.498 4.470 -0.001 0.000 0.231 210 S C 1.717 176.374 174.600 0.095 0.000 1.014 210 S CA 1.122 59.377 58.200 0.091 0.000 0.965 210 S CB -1.216 62.020 63.200 0.060 0.000 0.785 210 S HN 0.807 9.117 8.310 -0.000 0.000 0.495 211 G N 0.382 109.233 108.800 0.085 0.000 2.464 211 G HA2 0.192 4.152 3.960 -0.001 0.000 0.217 211 G HA3 0.192 4.152 3.960 -0.001 0.000 0.217 211 G C 0.427 175.395 174.900 0.113 0.000 1.138 211 G CA 0.450 45.593 45.100 0.071 0.000 0.793 211 G HN 0.561 8.851 8.290 -0.000 0.000 0.539 212 S N 1.547 117.360 115.700 0.188 0.000 2.312 212 S HA 0.375 4.844 4.470 -0.001 0.000 0.173 212 S C -2.906 171.949 174.600 0.425 0.000 1.488 212 S CA -0.800 57.594 58.200 0.323 0.000 1.239 212 S CB 2.508 65.875 63.200 0.278 0.000 1.215 212 S HN 0.099 8.409 8.310 -0.000 0.000 0.438 213 P HA 0.151 4.571 4.420 -0.000 0.000 0.278 213 P C -0.427 176.990 177.300 0.194 0.000 1.238 213 P CA -0.443 62.815 63.100 0.264 0.000 0.794 213 P CB 0.444 32.240 31.700 0.159 0.000 0.955 214 Y N 2.837 123.018 120.300 -0.199 0.000 2.702 214 Y HA 0.067 4.616 4.550 -0.001 0.000 0.336 214 Y C 0.261 175.978 175.900 -0.305 0.000 1.235 214 Y CA 0.683 58.380 58.100 -0.672 0.000 1.492 214 Y CB 0.217 38.083 38.460 -0.990 0.000 1.308 214 Y HN 0.352 8.632 8.280 -0.000 0.000 0.589 215 N N 2.066 120.110 118.700 -1.093 0.000 2.240 215 N HA 0.095 4.835 4.740 -0.001 0.000 0.302 215 N C 0.209 175.030 175.510 -1.149 0.000 1.106 215 N CA 0.195 52.766 53.050 -0.798 0.000 0.778 215 N CB 2.064 40.275 38.487 -0.460 0.000 1.431 215 N HN 0.786 9.166 8.380 -0.000 0.000 0.479 216 S N 1.746 117.092 115.700 -0.591 0.000 2.469 216 S HA -0.184 4.285 4.470 -0.001 0.000 0.238 216 S C 1.160 175.638 174.600 -0.202 0.000 0.998 216 S CA 1.045 59.073 58.200 -0.286 0.000 0.957 216 S CB -0.492 62.671 63.200 -0.061 0.000 0.764 216 S HN 0.763 9.073 8.310 -0.000 0.000 0.514 217 N N 0.978 119.547 118.700 -0.218 0.000 2.571 217 N HA -0.038 4.702 4.740 -0.001 0.000 0.189 217 N C 0.959 176.423 175.510 -0.077 0.000 1.154 217 N CA 0.117 53.089 53.050 -0.131 0.000 0.907 217 N CB -1.004 37.435 38.487 -0.079 0.000 0.977 217 N HN 0.371 8.751 8.380 -0.000 0.000 0.449 218 F N 1.852 121.617 119.950 -0.308 0.000 2.161 218 F HA -0.033 4.494 4.527 -0.001 0.000 0.300 218 F C 2.286 177.977 175.800 -0.182 0.000 1.089 218 F CA 1.004 58.873 58.000 -0.218 0.000 1.282 218 F CB -0.329 38.574 39.000 -0.161 0.000 1.010 218 F HN 0.117 8.417 8.300 -0.000 0.000 0.485 219 R N -0.629 119.767 120.500 -0.173 0.000 2.096 219 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 219 R C 2.033 178.153 176.300 -0.300 0.000 1.127 219 R CA 1.887 57.826 56.100 -0.268 0.000 0.968 219 R CB -0.429 29.783 30.300 -0.147 0.000 0.861 219 R HN 0.259 8.529 8.270 -0.000 0.000 0.440 220 T N -0.227 114.151 114.554 -0.292 0.000 2.777 220 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 220 T C 1.673 176.023 174.700 -0.584 0.000 1.040 220 T CA 1.790 63.618 62.100 -0.452 0.000 1.141 220 T CB -0.271 68.297 68.868 -0.499 0.000 0.868 220 T HN 0.348 8.588 8.240 -0.000 0.000 0.444 221 T N 2.754 117.111 114.554 -0.328 0.000 2.652 221 T HA -0.008 4.341 4.350 -0.001 0.000 0.267 221 T C 2.013 176.658 174.700 -0.091 0.000 1.039 221 T CA 1.015 63.088 62.100 -0.045 0.000 1.153 221 T CB -0.588 68.402 68.868 0.203 0.000 0.863 221 T HN 0.240 8.480 8.240 -0.000 0.000 0.428 222 L N 0.676 121.650 121.223 -0.415 0.000 2.013 222 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 222 L C 2.941 179.721 176.870 -0.149 0.000 1.073 222 L CA 1.630 56.231 54.840 -0.398 0.000 0.753 222 L CB -0.681 41.017 42.059 -0.601 0.000 0.890 222 L HN 0.334 8.564 8.230 -0.000 0.000 0.432 223 Q N -0.072 119.599 119.800 -0.215 0.000 2.050 223 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 223 Q C 1.990 177.912 176.000 -0.130 0.000 0.980 223 Q CA 1.966 57.668 55.803 -0.168 0.000 0.840 223 Q CB -0.217 28.387 28.738 -0.222 0.000 0.898 223 Q HN 0.601 8.871 8.270 -0.000 0.000 0.424 224 N N -0.560 117.996 118.700 -0.240 0.000 2.188 224 N HA -0.106 4.634 4.740 -0.001 0.000 0.184 224 N C 1.444 176.987 175.510 0.056 0.000 1.018 224 N CA 0.688 53.595 53.050 -0.237 0.000 0.858 224 N CB -0.070 37.942 38.487 -0.791 0.000 0.989 224 N HN 0.094 8.474 8.380 -0.000 0.000 0.426 225 F N 1.478 121.525 119.950 0.163 0.000 2.146 225 F HA -0.043 4.484 4.527 -0.001 0.000 0.298 225 F C 2.537 178.420 175.800 0.138 0.000 1.096 225 F CA 0.881 59.038 58.000 0.263 0.000 1.275 225 F CB -0.422 38.814 39.000 0.394 0.000 1.008 225 F HN 0.014 8.314 8.300 -0.000 0.000 0.480 226 A N 0.018 122.981 122.820 0.237 0.000 1.940 226 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 226 A C 2.315 179.948 177.584 0.081 0.000 1.176 226 A CA 1.665 53.782 52.037 0.132 0.000 0.631 226 A CB -1.278 17.760 19.000 0.063 0.000 0.814 226 A HN 0.307 8.457 8.150 -0.000 0.000 0.446 227 A N -0.565 122.288 122.820 0.054 0.000 2.172 227 A HA 0.108 4.428 4.320 -0.001 0.000 0.216 227 A C 1.875 179.472 177.584 0.022 0.000 1.154 227 A CA 1.070 53.121 52.037 0.024 0.000 0.701 227 A CB -0.520 18.480 19.000 0.001 0.000 0.789 227 A HN 0.494 8.644 8.150 -0.000 0.000 0.465 228 L N -1.437 119.802 121.223 0.026 0.000 2.552 228 L HA 0.145 4.484 4.340 -0.001 0.000 0.227 228 L C 1.541 178.417 176.870 0.010 0.000 1.146 228 L CA 0.613 55.440 54.840 -0.021 0.000 0.858 228 L CB -0.254 41.754 42.059 -0.085 0.000 0.969 228 L HN 0.568 8.798 8.230 -0.000 0.000 0.451 229 G N 0.844 109.667 108.800 0.040 0.000 2.167 229 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.194 229 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.194 229 G C -0.063 174.876 174.900 0.065 0.000 1.027 229 G CA -0.008 45.118 45.100 0.042 0.000 0.717 229 G HN 0.211 8.501 8.290 -0.000 0.000 0.501 230 V N -3.181 116.791 119.914 0.097 0.000 2.914 230 V HA 0.864 4.984 4.120 -0.001 0.000 0.314 230 V C -0.163 176.011 176.094 0.134 0.000 1.084 230 V CA -1.567 60.806 62.300 0.122 0.000 0.963 230 V CB 2.113 34.030 31.823 0.157 0.000 1.025 230 V HN 0.050 8.240 8.190 -0.000 0.000 0.432 231 D N 1.671 122.149 120.400 0.130 0.000 2.344 231 D HA 0.533 5.172 4.640 -0.001 0.000 0.244 231 D C 0.035 176.435 176.300 0.165 0.000 1.134 231 D CA 0.130 54.206 54.000 0.128 0.000 0.930 231 D CB 2.038 42.910 40.800 0.121 0.000 1.175 231 D HN 0.945 9.315 8.370 -0.000 0.000 0.437 232 V N -2.579 117.430 119.914 0.159 0.000 2.769 232 V HA 0.925 5.044 4.120 -0.001 0.000 0.312 232 V C -0.749 175.447 176.094 0.170 0.000 1.061 232 V CA -0.927 61.505 62.300 0.220 0.000 0.931 232 V CB 1.508 33.479 31.823 0.248 0.000 1.010 232 V HN 0.667 8.857 8.190 -0.000 0.000 0.433 233 A N 4.141 127.097 122.820 0.227 0.000 2.486 233 A HA 0.872 5.191 4.320 -0.001 0.000 0.300 233 A C -0.938 176.781 177.584 0.226 0.000 1.048 233 A CA -0.706 51.435 52.037 0.173 0.000 0.696 233 A CB 1.558 20.673 19.000 0.192 0.000 1.278 233 A HN 0.955 9.105 8.150 -0.000 0.000 0.405 234 I N 2.592 123.250 120.570 0.147 0.000 2.297 234 I HA 0.235 4.404 4.170 -0.001 0.000 0.291 234 I C 1.434 177.599 176.117 0.079 0.000 1.033 234 I CA 0.053 61.459 61.300 0.177 0.000 1.253 234 I CB 1.661 39.765 38.000 0.173 0.000 1.396 234 I HN 0.901 9.111 8.210 -0.000 0.000 0.476 235 T N 0.684 115.253 114.554 0.024 0.000 3.023 235 T HA 0.205 4.554 4.350 -0.001 0.000 0.249 235 T C 0.817 175.459 174.700 -0.097 0.000 1.050 235 T CA 0.206 62.287 62.100 -0.033 0.000 1.088 235 T CB 0.119 68.932 68.868 -0.092 0.000 0.946 235 T HN 0.547 8.787 8.240 -0.000 0.000 0.480 236 E N 0.915 120.972 120.200 -0.238 0.000 3.843 236 E HA 0.330 4.679 4.350 -0.001 0.000 0.189 236 E C -1.015 175.437 176.600 -0.248 0.000 1.013 236 E CA -0.465 55.737 56.400 -0.331 0.000 1.395 236 E CB 0.739 29.824 29.700 -1.026 0.000 1.136 236 E HN 0.231 8.591 8.360 -0.000 0.000 0.444 237 L N 2.924 124.121 121.223 -0.044 0.000 2.540 237 L HA 0.098 4.438 4.340 -0.001 0.000 0.276 237 L C -0.610 176.400 176.870 0.234 0.000 1.212 237 L CA 0.773 55.634 54.840 0.034 0.000 0.893 237 L CB 0.136 42.285 42.059 0.150 0.000 1.138 237 L HN 0.148 8.378 8.230 -0.000 0.000 0.491 238 D N 4.272 124.806 120.400 0.224 0.000 2.717 238 D HA 0.515 5.154 4.640 -0.001 0.000 0.223 238 D C -1.029 175.398 176.300 0.211 0.000 1.240 238 D CA -0.378 53.836 54.000 0.356 0.000 0.801 238 D CB 0.660 41.771 40.800 0.518 0.000 1.556 238 D HN 0.412 8.782 8.370 -0.000 0.000 0.462 239 I N 0.544 121.210 120.570 0.160 0.000 2.512 239 I HA 0.228 4.397 4.170 -0.001 0.000 0.287 239 I C -0.209 175.998 176.117 0.149 0.000 1.069 239 I CA -0.970 60.381 61.300 0.085 0.000 1.056 239 I CB 2.159 40.031 38.000 -0.213 0.000 1.229 239 I HN 0.399 8.609 8.210 -0.000 0.000 0.429 240 Q N 4.593 124.477 119.800 0.141 0.000 2.262 240 Q HA 0.102 4.442 4.340 -0.001 0.000 0.298 240 Q C 1.241 177.307 176.000 0.110 0.000 1.083 240 Q CA 1.665 57.537 55.803 0.114 0.000 0.962 240 Q CB 0.405 29.197 28.738 0.090 0.000 1.104 240 Q HN 1.015 9.285 8.270 -0.000 0.000 0.376 241 G N 3.140 112.009 108.800 0.114 0.000 2.234 241 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 241 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 241 G C 0.497 175.483 174.900 0.144 0.000 0.987 241 G CA 0.237 45.402 45.100 0.108 0.000 0.625 241 G HN 1.929 10.220 8.290 -0.000 0.000 0.532 242 A N -0.604 122.344 122.820 0.213 0.000 2.519 242 A HA 0.077 4.396 4.320 -0.001 0.000 0.297 242 A C -0.704 177.042 177.584 0.270 0.000 1.472 242 A CA 1.293 53.538 52.037 0.347 0.000 0.739 242 A CB -1.523 17.656 19.000 0.299 0.000 1.096 242 A HN 1.320 9.470 8.150 -0.000 0.000 0.414 243 P HA 0.358 4.778 4.420 -0.000 0.000 0.271 243 P C 1.074 178.479 177.300 0.175 0.000 1.220 243 P CA 0.603 63.780 63.100 0.129 0.000 0.768 243 P CB 1.128 32.863 31.700 0.059 0.000 0.848 244 A N 3.882 126.768 122.820 0.111 0.000 1.933 244 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 244 A C 2.255 179.876 177.584 0.062 0.000 1.175 244 A CA 2.102 54.192 52.037 0.088 0.000 0.628 244 A CB -1.495 17.524 19.000 0.031 0.000 0.814 244 A HN 0.651 8.801 8.150 -0.000 0.000 0.444 245 S N -0.213 115.501 115.700 0.023 0.000 2.351 245 S HA -0.206 4.263 4.470 -0.001 0.000 0.220 245 S C 1.869 176.418 174.600 -0.085 0.000 1.035 245 S CA 2.109 60.296 58.200 -0.022 0.000 1.031 245 S CB -1.487 61.700 63.200 -0.021 0.000 0.928 245 S HN 0.507 8.817 8.310 -0.000 0.000 0.433 246 T N 0.572 115.049 114.554 -0.128 0.000 2.821 246 T HA 0.004 4.354 4.350 -0.001 0.000 0.267 246 T C 1.548 176.062 174.700 -0.310 0.000 1.046 246 T CA 1.368 63.262 62.100 -0.344 0.000 1.139 246 T CB -0.558 68.099 68.868 -0.353 0.000 0.871 246 T HN 0.401 8.641 8.240 -0.000 0.000 0.454 247 Y N 1.669 121.898 120.300 -0.119 0.000 2.181 247 Y HA 0.003 4.552 4.550 -0.001 0.000 0.288 247 Y C 2.722 178.587 175.900 -0.057 0.000 1.146 247 Y CA 0.619 58.695 58.100 -0.041 0.000 1.164 247 Y CB -0.794 37.673 38.460 0.012 0.000 0.982 247 Y HN 0.208 8.488 8.280 -0.000 0.000 0.515 248 A N 0.134 123.003 122.820 0.081 0.000 1.902 248 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 248 A C 2.098 179.663 177.584 -0.033 0.000 1.181 248 A CA 1.840 53.887 52.037 0.018 0.000 0.623 248 A CB -0.664 18.330 19.000 -0.009 0.000 0.818 248 A HN 0.442 8.592 8.150 -0.000 0.000 0.443 249 N N 0.250 118.867 118.700 -0.139 0.000 2.069 249 N HA -0.129 4.610 4.740 -0.001 0.000 0.191 249 N C 1.677 177.113 175.510 -0.123 0.000 1.031 249 N CA 1.664 54.600 53.050 -0.189 0.000 0.852 249 N CB -0.671 37.539 38.487 -0.463 0.000 1.018 249 N HN 0.258 8.638 8.380 -0.000 0.000 0.423 250 V N 1.013 120.813 119.914 -0.190 0.000 2.358 250 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 250 V C 2.153 178.336 176.094 0.149 0.000 1.047 250 V CA 1.754 64.106 62.300 0.087 0.000 1.035 250 V CB -0.942 30.952 31.823 0.117 0.000 0.658 250 V HN 0.356 8.546 8.190 -0.000 0.000 0.452 251 T N 0.355 114.984 114.554 0.126 0.000 2.708 251 T HA -0.175 4.174 4.350 -0.001 0.000 0.266 251 T C 1.834 176.574 174.700 0.067 0.000 1.037 251 T CA 1.648 63.828 62.100 0.134 0.000 1.146 251 T CB -0.382 68.571 68.868 0.142 0.000 0.865 251 T HN 0.425 8.665 8.240 -0.000 0.000 0.435 252 N N 1.300 120.023 118.700 0.038 0.000 2.244 252 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 252 N C 1.497 177.010 175.510 0.005 0.000 1.016 252 N CA 0.929 53.987 53.050 0.014 0.000 0.866 252 N CB -0.366 38.124 38.487 0.005 0.000 0.980 252 N HN 0.383 8.763 8.380 -0.000 0.000 0.430 253 D N 0.403 120.817 120.400 0.023 0.000 2.117 253 D HA -0.110 4.530 4.640 -0.001 0.000 0.197 253 D C 2.035 178.278 176.300 -0.094 0.000 0.987 253 D CA 0.548 54.530 54.000 -0.031 0.000 0.829 253 D CB -0.552 40.253 40.800 0.008 0.000 0.961 253 D HN 0.205 8.575 8.370 -0.000 0.000 0.460 254 c N 0.497 119.063 118.600 -0.056 0.000 2.429 254 c HA -0.041 4.528 4.570 -0.001 0.000 0.277 254 c C 2.780 176.834 174.090 -0.060 0.000 1.262 254 c CA 0.295 56.577 56.329 -0.078 0.000 1.733 254 c CB -1.234 41.254 42.510 -0.038 0.000 2.010 254 c HN 0.287 8.517 8.230 -0.000 0.000 0.483 255 L N 1.015 122.220 121.223 -0.030 0.000 2.265 255 L HA -0.061 4.279 4.340 -0.001 0.000 0.215 255 L C 2.734 179.583 176.870 -0.036 0.000 1.117 255 L CA 1.343 56.168 54.840 -0.025 0.000 0.782 255 L CB -0.525 41.529 42.059 -0.010 0.000 0.914 255 L HN 0.460 8.690 8.230 -0.000 0.000 0.441 256 A N -0.885 121.906 122.820 -0.049 0.000 2.208 256 A HA 0.171 4.490 4.320 -0.001 0.000 0.209 256 A C 0.807 178.350 177.584 -0.069 0.000 1.161 256 A CA 0.217 52.221 52.037 -0.056 0.000 0.782 256 A CB 0.050 19.013 19.000 -0.062 0.000 0.816 256 A HN 0.120 8.270 8.150 -0.000 0.000 0.477 257 V N 1.340 121.207 119.914 -0.078 0.000 2.357 257 V HA 0.158 4.278 4.120 -0.001 0.000 0.284 257 V C 1.394 177.457 176.094 -0.052 0.000 1.018 257 V CA 0.214 62.466 62.300 -0.081 0.000 0.841 257 V CB 1.120 32.870 31.823 -0.123 0.000 0.991 257 V HN 0.570 8.760 8.190 -0.000 0.000 0.437 258 S N 4.627 120.305 115.700 -0.036 0.000 2.383 258 S HA -0.168 4.302 4.470 -0.001 0.000 0.229 258 S C 1.447 176.044 174.600 -0.006 0.000 1.030 258 S CA 1.010 59.199 58.200 -0.018 0.000 1.002 258 S CB -0.252 62.941 63.200 -0.011 0.000 0.829 258 S HN 0.745 9.055 8.310 -0.000 0.000 0.467 259 R N -0.058 120.442 120.500 -0.001 0.000 2.356 259 R HA 0.274 4.613 4.340 -0.001 0.000 0.234 259 R C -0.038 176.274 176.300 0.021 0.000 0.929 259 R CA -0.143 55.970 56.100 0.023 0.000 1.084 259 R CB -0.342 29.984 30.300 0.044 0.000 1.105 259 R HN 0.407 8.677 8.270 -0.000 0.000 0.515 260 c N 1.761 120.351 118.600 -0.016 0.000 2.520 260 c HA 0.197 4.766 4.570 -0.001 0.000 0.369 260 c C 1.882 175.939 174.090 -0.054 0.000 1.244 260 c CA -0.592 55.714 56.329 -0.037 0.000 1.677 260 c CB -1.030 41.430 42.510 -0.084 0.000 2.324 260 c HN 0.561 8.791 8.230 -0.000 0.000 0.557 261 L N 5.313 126.515 121.223 -0.035 0.000 2.141 261 L HA 0.235 4.574 4.340 -0.001 0.000 0.209 261 L C 1.541 178.176 176.870 -0.393 0.000 1.094 261 L CA 1.183 55.997 54.840 -0.043 0.000 0.763 261 L CB -0.705 41.457 42.059 0.173 0.000 0.908 261 L HN 0.934 9.164 8.230 -0.000 0.000 0.437 262 G N -0.677 107.740 108.800 -0.638 0.000 2.315 262 G HA2 0.382 4.342 3.960 -0.001 0.000 0.294 262 G HA3 0.382 4.342 3.960 -0.001 0.000 0.294 262 G C -1.837 172.628 174.900 -0.725 0.000 1.300 262 G CA -0.761 43.639 45.100 -1.165 0.000 0.843 262 G HN -0.102 8.188 8.290 -0.000 0.000 0.527 263 I N 0.471 120.650 120.570 -0.651 0.000 2.498 263 I HA 0.508 4.677 4.170 -0.001 0.000 0.290 263 I C -0.339 175.499 176.117 -0.464 0.000 1.032 263 I CA -0.622 60.410 61.300 -0.445 0.000 1.073 263 I CB 2.697 40.406 38.000 -0.485 0.000 1.251 263 I HN 0.383 8.593 8.210 -0.000 0.000 0.426 264 T N 5.481 119.939 114.554 -0.160 0.000 2.779 264 T HA 0.466 4.815 4.350 -0.001 0.000 0.280 264 T C -0.242 174.447 174.700 -0.018 0.000 0.987 264 T CA -0.546 61.503 62.100 -0.085 0.000 0.966 264 T CB 1.521 70.428 68.868 0.065 0.000 0.933 264 T HN 0.364 8.604 8.240 -0.000 0.000 0.442 265 V N 1.134 121.069 119.914 0.034 0.000 2.644 265 V HA 0.474 4.594 4.120 -0.001 0.000 0.295 265 V C 0.154 176.372 176.094 0.206 0.000 1.053 265 V CA -1.139 61.300 62.300 0.230 0.000 0.987 265 V CB 1.310 33.379 31.823 0.410 0.000 1.006 265 V HN 0.997 9.187 8.190 -0.000 0.000 0.472 266 W N 5.111 126.449 121.300 0.062 0.000 1.518 266 W HA 0.553 5.212 4.660 -0.001 0.000 0.426 266 W C 0.532 177.093 176.519 0.069 0.000 0.675 266 W CA 0.716 58.062 57.345 0.002 0.000 1.936 266 W CB 0.026 29.480 29.460 -0.009 0.000 1.749 266 W HN 1.263 9.443 8.180 -0.000 0.000 0.247 267 G N 0.129 108.826 108.800 -0.172 0.000 2.354 267 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.582 267 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.582 267 G C -0.674 174.247 174.900 0.035 0.000 1.316 267 G CA -0.574 44.453 45.100 -0.122 0.000 0.995 267 G HN 0.068 8.358 8.290 -0.000 0.000 0.573 268 V N 0.297 120.271 119.914 0.101 0.000 2.785 268 V HA 0.355 4.474 4.120 -0.001 0.000 0.226 268 V C 1.551 177.846 176.094 0.334 0.000 1.127 268 V CA 1.403 63.812 62.300 0.182 0.000 1.193 268 V CB -0.465 31.301 31.823 -0.096 0.000 0.926 268 V HN 0.707 8.897 8.190 -0.000 0.000 0.507 269 R N 0.734 121.390 120.500 0.259 0.000 2.596 269 R HA 0.256 4.596 4.340 -0.001 0.000 0.267 269 R C 0.780 177.219 176.300 0.233 0.000 1.026 269 R CA -0.560 55.704 56.100 0.273 0.000 1.087 269 R CB 0.551 30.971 30.300 0.199 0.000 1.132 269 R HN 0.239 8.509 8.270 -0.000 0.000 0.531 270 D N 0.425 120.950 120.400 0.208 0.000 2.158 270 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 270 D C 1.684 178.072 176.300 0.147 0.000 0.995 270 D CA 2.042 56.148 54.000 0.177 0.000 0.846 270 D CB -0.155 40.732 40.800 0.145 0.000 0.941 270 D HN 0.548 8.918 8.370 -0.000 0.000 0.456 271 S N -0.001 115.772 115.700 0.122 0.000 2.474 271 S HA -0.101 4.368 4.470 -0.001 0.000 0.235 271 S C 1.215 175.867 174.600 0.087 0.000 0.997 271 S CA 0.665 58.919 58.200 0.090 0.000 0.949 271 S CB 0.052 63.293 63.200 0.068 0.000 0.766 271 S HN 0.091 8.401 8.310 -0.000 0.000 0.517 272 D N 1.575 122.045 120.400 0.116 0.000 2.348 272 D HA 0.135 4.774 4.640 -0.001 0.000 0.211 272 D C 0.721 177.101 176.300 0.134 0.000 0.998 272 D CA 0.293 54.353 54.000 0.100 0.000 0.873 272 D CB 0.007 40.904 40.800 0.161 0.000 0.925 272 D HN 0.433 8.803 8.370 -0.000 0.000 0.524 273 S N 1.097 116.910 115.700 0.188 0.000 2.564 273 S HA 0.030 4.499 4.470 -0.001 0.000 0.278 273 S C 1.371 176.171 174.600 0.334 0.000 1.333 273 S CA -0.844 57.535 58.200 0.299 0.000 1.048 273 S CB 0.591 63.975 63.200 0.307 0.000 0.900 273 S HN 0.335 8.645 8.310 -0.000 0.000 0.505 274 W N 5.431 126.818 121.300 0.146 0.000 2.468 274 W HA 0.031 4.691 4.660 -0.001 0.000 0.262 274 W C 0.352 176.923 176.519 0.087 0.000 1.241 274 W CA 0.420 57.843 57.345 0.130 0.000 1.232 274 W CB -0.752 28.831 29.460 0.204 0.000 1.124 274 W HN 0.661 8.841 8.180 -0.000 0.000 0.597 275 R N 1.362 121.782 120.500 -0.135 0.000 2.834 275 R HA 0.085 4.425 4.340 -0.001 0.000 0.362 275 R C 1.844 178.121 176.300 -0.038 0.000 1.147 275 R CA 0.546 56.478 56.100 -0.280 0.000 1.125 275 R CB 0.292 30.258 30.300 -0.557 0.000 1.361 275 R HN 0.089 8.359 8.270 -0.000 0.000 0.598 276 S N 0.886 116.605 115.700 0.033 0.000 2.402 276 S HA -0.244 4.225 4.470 -0.001 0.000 0.233 276 S C 1.821 176.445 174.600 0.039 0.000 1.030 276 S CA 1.538 59.778 58.200 0.066 0.000 1.003 276 S CB 0.007 63.249 63.200 0.070 0.000 0.813 276 S HN 0.514 8.824 8.310 -0.000 0.000 0.477 277 E N 1.814 122.015 120.200 0.003 0.000 2.265 277 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 277 E C 1.479 178.083 176.600 0.007 0.000 0.996 277 E CA 1.164 57.563 56.400 -0.001 0.000 0.832 277 E CB -0.709 28.977 29.700 -0.023 0.000 0.756 277 E HN 0.795 9.155 8.360 -0.000 0.000 0.491 278 Q N 1.036 120.840 119.800 0.006 0.000 2.320 278 Q HA 0.033 4.372 4.340 -0.001 0.000 0.201 278 Q C -0.174 175.871 176.000 0.074 0.000 0.910 278 Q CA 0.585 56.405 55.803 0.028 0.000 0.946 278 Q CB -0.032 28.711 28.738 0.008 0.000 1.062 278 Q HN 0.467 8.737 8.270 -0.000 0.000 0.503 279 T N -0.255 114.350 114.554 0.085 0.000 3.078 279 T HA -0.126 4.223 4.350 -0.001 0.000 0.442 279 T C -2.127 172.670 174.700 0.161 0.000 0.774 279 T CA 0.416 62.584 62.100 0.115 0.000 2.261 279 T CB -0.705 68.218 68.868 0.093 0.000 1.629 279 T HN 0.237 8.477 8.240 -0.000 0.000 0.552 280 P HA 0.414 4.834 4.420 -0.000 0.000 0.282 280 P C 0.507 178.043 177.300 0.394 0.000 1.327 280 P CA -0.341 62.926 63.100 0.279 0.000 0.949 280 P CB 0.607 32.461 31.700 0.258 0.000 1.445 281 L N -0.796 120.623 121.223 0.327 0.000 2.341 281 L HA 0.423 4.762 4.340 -0.001 0.000 0.267 281 L C 1.810 178.774 176.870 0.157 0.000 1.022 281 L CA -1.087 53.949 54.840 0.326 0.000 0.844 281 L CB 0.955 43.209 42.059 0.325 0.000 1.436 281 L HN -0.293 7.937 8.230 -0.000 0.000 0.483 282 L N -0.441 120.826 121.223 0.074 0.000 2.529 282 L HA 0.183 4.522 4.340 -0.001 0.000 0.223 282 L C -0.479 176.135 176.870 -0.428 0.000 1.113 282 L CA 0.403 55.100 54.840 -0.237 0.000 0.861 282 L CB 0.106 41.981 42.059 -0.307 0.000 1.012 282 L HN 0.235 8.465 8.230 -0.000 0.000 0.461 283 F N -0.558 119.448 119.950 0.094 0.000 2.508 283 F HA 0.310 4.836 4.527 -0.001 0.000 0.325 283 F C 0.511 176.346 175.800 0.058 0.000 1.090 283 F CA -0.928 57.101 58.000 0.050 0.000 0.945 283 F CB 0.962 39.990 39.000 0.047 0.000 1.156 283 F HN -0.175 8.125 8.300 -0.000 0.000 0.463 284 N N 1.180 119.995 118.700 0.192 0.000 2.354 284 N HA 0.058 4.797 4.740 -0.001 0.000 0.246 284 N C 0.756 176.351 175.510 0.142 0.000 1.285 284 N CA -0.431 52.699 53.050 0.133 0.000 0.925 284 N CB 0.377 38.914 38.487 0.084 0.000 1.174 284 N HN 0.516 8.896 8.380 -0.000 0.000 0.478 285 N N 0.865 119.628 118.700 0.104 0.000 2.205 285 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 285 N C 0.504 176.059 175.510 0.075 0.000 1.015 285 N CA 1.082 54.185 53.050 0.089 0.000 0.862 285 N CB -0.393 38.134 38.487 0.066 0.000 0.986 285 N HN 0.644 9.024 8.380 -0.000 0.000 0.429 286 D N -1.103 119.337 120.400 0.067 0.000 2.328 286 D HA 0.113 4.753 4.640 -0.001 0.000 0.226 286 D C 1.186 177.518 176.300 0.053 0.000 1.066 286 D CA 0.558 54.588 54.000 0.051 0.000 0.861 286 D CB -0.373 40.450 40.800 0.038 0.000 0.912 286 D HN 0.249 8.619 8.370 -0.000 0.000 0.521 287 G N 0.152 109.002 108.800 0.083 0.000 2.176 287 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.253 287 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.253 287 G C 0.418 175.401 174.900 0.139 0.000 0.979 287 G CA 0.421 45.567 45.100 0.076 0.000 0.641 287 G HN 0.843 9.133 8.290 -0.000 0.000 0.530 288 S N -0.175 115.594 115.700 0.114 0.000 2.592 288 S HA 0.604 5.073 4.470 -0.001 0.000 0.271 288 S C 0.268 174.920 174.600 0.087 0.000 1.326 288 S CA -0.132 58.115 58.200 0.079 0.000 1.024 288 S CB 1.518 64.736 63.200 0.029 0.000 0.921 288 S HN 0.452 8.762 8.310 -0.000 0.000 0.527 289 K N 1.671 122.036 120.400 -0.059 0.000 2.350 289 K HA 0.218 4.537 4.320 -0.001 0.000 0.279 289 K C 0.223 176.717 176.600 -0.177 0.000 1.027 289 K CA -0.144 55.959 56.287 -0.305 0.000 0.969 289 K CB 0.557 32.768 32.500 -0.481 0.000 0.954 289 K HN 0.534 8.784 8.250 -0.000 0.000 0.474 290 K N 0.894 121.177 120.400 -0.196 0.000 2.098 290 K HA 0.195 4.515 4.320 -0.001 0.000 0.244 290 K C 1.128 177.691 176.600 -0.062 0.000 1.014 290 K CA -0.306 55.926 56.287 -0.091 0.000 0.917 290 K CB 0.978 33.429 32.500 -0.081 0.000 1.072 290 K HN 0.646 8.896 8.250 -0.000 0.000 0.477 291 A N 1.084 123.885 122.820 -0.031 0.000 1.978 291 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 291 A C 2.133 179.694 177.584 -0.039 0.000 1.170 291 A CA 2.210 54.235 52.037 -0.019 0.000 0.636 291 A CB -0.827 18.171 19.000 -0.005 0.000 0.810 291 A HN 0.792 8.942 8.150 -0.000 0.000 0.448 292 A N -1.481 121.302 122.820 -0.062 0.000 1.972 292 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 292 A C 2.051 179.485 177.584 -0.251 0.000 1.169 292 A CA 1.605 53.565 52.037 -0.127 0.000 0.635 292 A CB -0.769 18.130 19.000 -0.168 0.000 0.810 292 A HN 0.768 8.918 8.150 -0.000 0.000 0.446 293 Y N 1.254 121.332 120.300 -0.370 0.000 2.097 293 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 293 Y C 2.602 178.329 175.900 -0.287 0.000 1.152 293 Y CA 2.569 60.415 58.100 -0.423 0.000 1.136 293 Y CB -0.711 37.418 38.460 -0.551 0.000 0.975 293 Y HN 0.297 8.577 8.280 -0.000 0.000 0.498 294 T N 0.688 115.219 114.554 -0.040 0.000 2.833 294 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 294 T C 2.053 176.660 174.700 -0.156 0.000 1.054 294 T CA 1.213 63.272 62.100 -0.068 0.000 1.135 294 T CB -0.681 68.203 68.868 0.026 0.000 0.869 294 T HN 0.513 8.753 8.240 -0.000 0.000 0.466 295 A N 0.887 123.627 122.820 -0.134 0.000 1.930 295 A HA 0.005 4.324 4.320 -0.001 0.000 0.217 295 A C 2.540 180.039 177.584 -0.141 0.000 1.175 295 A CA 1.044 53.019 52.037 -0.103 0.000 0.627 295 A CB -0.803 18.167 19.000 -0.049 0.000 0.815 295 A HN 0.365 8.515 8.150 -0.000 0.000 0.443 296 V N -0.371 119.403 119.914 -0.234 0.000 2.358 296 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 296 V C 2.458 178.352 176.094 -0.333 0.000 1.047 296 V CA 1.815 63.964 62.300 -0.252 0.000 1.035 296 V CB -0.732 30.881 31.823 -0.350 0.000 0.658 296 V HN 0.574 8.764 8.190 -0.000 0.000 0.452 297 L N 0.520 121.453 121.223 -0.484 0.000 2.017 297 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 297 L C 2.110 178.850 176.870 -0.218 0.000 1.073 297 L CA 2.135 56.724 54.840 -0.419 0.000 0.745 297 L CB -0.915 40.853 42.059 -0.484 0.000 0.894 297 L HN 0.292 8.522 8.230 -0.000 0.000 0.432 298 D N -0.152 120.149 120.400 -0.165 0.000 2.123 298 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 298 D C 2.203 178.456 176.300 -0.079 0.000 0.992 298 D CA 1.552 55.494 54.000 -0.097 0.000 0.833 298 D CB -0.292 40.464 40.800 -0.073 0.000 0.954 298 D HN 0.505 8.875 8.370 -0.000 0.000 0.455 299 A N 0.614 123.386 122.820 -0.081 0.000 1.902 299 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 299 A C 2.389 179.946 177.584 -0.044 0.000 1.181 299 A CA 0.972 52.979 52.037 -0.049 0.000 0.623 299 A CB -0.816 18.166 19.000 -0.030 0.000 0.818 299 A HN 0.224 8.374 8.150 -0.000 0.000 0.443 300 L N -0.320 120.863 121.223 -0.066 0.000 2.131 300 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 300 L C 1.904 178.749 176.870 -0.043 0.000 1.092 300 L CA 1.068 55.880 54.840 -0.046 0.000 0.759 300 L CB -0.531 41.483 42.059 -0.075 0.000 0.903 300 L HN 0.358 8.588 8.230 -0.000 0.000 0.435 301 N N 0.091 118.756 118.700 -0.058 0.000 2.463 301 N HA -0.021 4.719 4.740 -0.001 0.000 0.181 301 N C 1.409 176.900 175.510 -0.032 0.000 1.078 301 N CA 1.045 54.069 53.050 -0.044 0.000 0.902 301 N CB 0.372 38.828 38.487 -0.051 0.000 0.970 301 N HN 0.397 8.777 8.380 -0.000 0.000 0.451 302 G N -0.449 108.332 108.800 -0.032 0.000 2.153 302 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.252 302 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.252 302 G C 0.386 175.271 174.900 -0.025 0.000 0.994 302 G CA 0.620 45.705 45.100 -0.025 0.000 0.698 302 G HN 0.784 9.074 8.290 -0.000 0.000 0.521 303 G N -0.970 107.812 108.800 -0.030 0.000 2.337 303 G HA2 0.554 4.514 3.960 -0.001 0.000 0.298 303 G HA3 0.554 4.514 3.960 -0.001 0.000 0.298 303 G C -0.357 174.526 174.900 -0.030 0.000 1.335 303 G CA 0.563 45.647 45.100 -0.027 0.000 0.875 303 G HN 0.987 9.277 8.290 -0.000 0.000 0.579 304 D N -1.474 118.911 120.400 -0.024 0.000 2.424 304 D HA 0.288 4.928 4.640 -0.001 0.000 0.220 304 D C 0.885 177.175 176.300 -0.017 0.000 1.150 304 D CA 0.498 54.484 54.000 -0.023 0.000 0.831 304 D CB 0.107 40.895 40.800 -0.020 0.000 0.981 304 D HN 0.922 9.292 8.370 -0.000 0.000 0.500 305 S N -0.810 114.881 115.700 -0.016 0.000 3.587 305 S HA -0.232 4.237 4.470 -0.001 0.000 0.337 305 S C 1.209 175.803 174.600 -0.010 0.000 1.119 305 S CA 0.851 59.044 58.200 -0.013 0.000 0.976 305 S CB -2.321 60.872 63.200 -0.012 0.000 0.922 305 S HN 0.654 8.964 8.310 -0.000 0.000 0.503 306 S N -0.204 115.489 115.700 -0.010 0.000 2.528 306 S HA 0.246 4.715 4.470 -0.001 0.000 0.219 306 S C 0.339 174.935 174.600 -0.008 0.000 0.985 306 S CA 0.327 58.522 58.200 -0.009 0.000 0.914 306 S CB -0.024 63.170 63.200 -0.009 0.000 0.776 306 S HN 0.901 9.211 8.310 -0.000 0.000 0.526 307 E N -0.006 120.189 120.200 -0.008 0.000 2.445 307 E HA 0.592 4.942 4.350 -0.001 0.000 0.279 307 E C -3.333 173.262 176.600 -0.007 0.000 1.018 307 E CA -2.405 53.991 56.400 -0.007 0.000 0.816 307 E CB -0.224 29.472 29.700 -0.007 0.000 1.356 307 E HN -0.029 8.331 8.360 -0.000 0.000 0.462 308 P HA 0.170 4.590 4.420 -0.000 0.000 0.267 308 P C -2.054 175.242 177.300 -0.007 0.000 1.200 308 P CA -0.606 62.490 63.100 -0.007 0.000 0.772 308 P CB -0.286 31.411 31.700 -0.006 0.000 0.855 309 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 309 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 309 P CB 0.000 31.695 31.700 -0.008 0.000 0.726