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 3nt5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLRIGVIGT GAIGKEHINR ITNKLSGAEI VAVTDVNQEA AQKVVEQYQL DATA SEQUENCE NATVYPNDDS LLADENVDAV LVTSWGPAHE SSVLKAIKAQ KYVFCEKPLA DATA SEQUENCE TTAEGCMRIV EEEIKVGKRL VQVGFMRRYD SGYVQLKEAL DNHVIGEPLM DATA SEQUENCE IHCAHRNPTV GDNYTTDMAV VDTLVHEIDV LHWLVNDDYE SVQVIYPKKS DATA SEQUENCE KNALPHLKDP QIVVIETKGG IVINAEIYVN CKYGYDIQCE IVGEDGIIKL DATA SEQUENCE PEPSSISLRK EGRFSTDILM DWQRRFVAAY DVEIQDFIDS IQKKGEVSGP DATA SEQUENCE TAWDGYIAAV TTDACVKAQE SGQKEKVELK EKPEFYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 S N 3.106 118.803 115.700 -0.005 0.000 2.632 2 S HA 0.688 5.159 4.470 0.001 0.000 0.267 2 S C -0.360 174.237 174.600 -0.006 0.000 1.276 2 S CA -0.779 57.415 58.200 -0.009 0.000 0.998 2 S CB 1.852 65.048 63.200 -0.007 0.000 0.953 2 S HN 0.669 8.979 8.310 -0.000 0.000 0.547 3 L N 1.535 122.748 121.223 -0.016 0.000 2.331 3 L HA 0.435 4.775 4.340 0.001 0.000 0.278 3 L C 0.128 177.008 176.870 0.017 0.000 1.106 3 L CA 0.005 54.840 54.840 -0.009 0.000 0.824 3 L CB 0.442 42.472 42.059 -0.048 0.000 1.142 3 L HN 0.715 8.945 8.230 -0.000 0.000 0.443 4 R N 6.254 126.776 120.500 0.037 0.000 2.229 4 R HA 0.541 4.882 4.340 0.001 0.000 0.332 4 R C -0.970 175.374 176.300 0.073 0.000 0.989 4 R CA -0.270 55.860 56.100 0.050 0.000 0.842 4 R CB 0.811 31.140 30.300 0.048 0.000 1.119 4 R HN 0.604 8.874 8.270 -0.000 0.000 0.456 5 I N 1.651 122.267 120.570 0.076 0.000 2.433 5 I HA 0.365 4.536 4.170 0.001 0.000 0.292 5 I C 0.486 176.658 176.117 0.090 0.000 1.001 5 I CA -0.688 60.671 61.300 0.099 0.000 1.119 5 I CB 2.225 40.283 38.000 0.098 0.000 1.289 5 I HN 0.642 8.852 8.210 -0.000 0.000 0.438 6 G N 5.491 114.349 108.800 0.097 0.000 2.343 6 G HA2 0.567 4.527 3.960 0.001 0.000 0.319 6 G HA3 0.567 4.527 3.960 0.001 0.000 0.319 6 G C -0.846 174.105 174.900 0.085 0.000 1.126 6 G CA -0.309 44.846 45.100 0.092 0.000 0.889 6 G HN 0.335 8.625 8.290 -0.000 0.000 0.457 7 V N 3.840 123.808 119.914 0.089 0.000 2.347 7 V HA 0.311 4.432 4.120 0.001 0.000 0.280 7 V C 0.066 176.213 176.094 0.089 0.000 1.021 7 V CA -0.562 61.788 62.300 0.083 0.000 0.847 7 V CB 1.060 32.933 31.823 0.084 0.000 0.990 7 V HN 0.620 8.810 8.190 -0.000 0.000 0.444 8 I N 4.380 124.995 120.570 0.075 0.000 2.291 8 I HA 0.684 4.855 4.170 0.001 0.000 0.290 8 I C 0.870 177.041 176.117 0.091 0.000 1.050 8 I CA -0.082 61.265 61.300 0.078 0.000 1.245 8 I CB 0.935 38.970 38.000 0.058 0.000 1.405 8 I HN 0.855 9.065 8.210 -0.000 0.000 0.478 9 G N 3.301 112.164 108.800 0.105 0.000 2.599 9 G HA2 -0.147 3.813 3.960 0.001 0.000 0.440 9 G HA3 -0.147 3.813 3.960 0.001 0.000 0.440 9 G C 0.089 175.058 174.900 0.115 0.000 1.018 9 G CA -0.299 44.875 45.100 0.122 0.000 1.311 9 G HN 0.767 9.057 8.290 -0.000 0.000 0.604 10 T N -0.280 114.336 114.554 0.103 0.000 3.418 10 T HA 0.571 4.921 4.350 0.001 0.000 0.239 10 T C 1.330 176.087 174.700 0.095 0.000 0.905 10 T CA 0.781 62.941 62.100 0.100 0.000 0.929 10 T CB 0.576 69.499 68.868 0.091 0.000 1.121 10 T HN 1.424 9.664 8.240 -0.000 0.000 0.608 11 G N 0.253 109.115 108.800 0.103 0.000 2.525 11 G HA2 0.545 4.505 3.960 0.001 0.000 0.287 11 G HA3 0.545 4.505 3.960 0.001 0.000 0.287 11 G C 1.249 176.201 174.900 0.086 0.000 1.350 11 G CA -0.485 44.674 45.100 0.099 0.000 1.039 11 G HN 0.428 8.718 8.290 -0.000 0.000 0.513 12 A N -0.579 122.291 122.820 0.083 0.000 1.884 12 A HA -0.162 4.158 4.320 0.001 0.000 0.219 12 A C 2.352 179.950 177.584 0.024 0.000 1.197 12 A CA 2.147 54.222 52.037 0.063 0.000 0.637 12 A CB -0.568 18.482 19.000 0.083 0.000 0.827 12 A HN 0.502 8.652 8.150 -0.000 0.000 0.450 13 I N -0.244 120.342 120.570 0.027 0.000 2.406 13 I HA -0.014 4.156 4.170 0.001 0.000 0.249 13 I C 2.422 178.451 176.117 -0.146 0.000 1.122 13 I CA 1.110 62.359 61.300 -0.085 0.000 1.431 13 I CB -0.957 37.027 38.000 -0.027 0.000 1.087 13 I HN 0.253 8.463 8.210 -0.000 0.000 0.424 14 G N -0.126 108.685 108.800 0.018 0.000 2.422 14 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 14 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 14 G C 1.835 176.766 174.900 0.052 0.000 1.146 14 G CA 0.703 45.853 45.100 0.083 0.000 0.769 14 G HN 0.318 8.608 8.290 -0.000 0.000 0.547 15 K N -0.214 120.213 120.400 0.046 0.000 2.097 15 K HA -0.032 4.289 4.320 0.001 0.000 0.205 15 K C 2.455 179.046 176.600 -0.015 0.000 1.050 15 K CA 1.014 57.353 56.287 0.087 0.000 0.938 15 K CB -0.035 32.555 32.500 0.151 0.000 0.718 15 K HN 0.050 8.300 8.250 -0.000 0.000 0.442 16 E N 0.276 120.417 120.200 -0.098 0.000 2.077 16 E HA -0.167 4.183 4.350 0.001 0.000 0.193 16 E C 1.905 178.404 176.600 -0.168 0.000 0.989 16 E CA 1.357 57.651 56.400 -0.176 0.000 0.800 16 E CB -0.096 29.427 29.700 -0.294 0.000 0.746 16 E HN 0.344 8.704 8.360 -0.000 0.000 0.452 17 H N -0.104 118.888 119.070 -0.130 0.000 2.326 17 H HA -0.009 4.547 4.556 0.001 0.000 0.301 17 H C 2.391 177.618 175.328 -0.169 0.000 1.081 17 H CA 1.084 57.044 56.048 -0.147 0.000 1.334 17 H CB -0.435 29.253 29.762 -0.122 0.000 1.385 17 H HN 0.170 8.450 8.280 -0.000 0.000 0.504 18 I N 0.864 121.407 120.570 -0.045 0.000 2.264 18 I HA -0.306 3.865 4.170 0.001 0.000 0.248 18 I C 2.411 178.307 176.117 -0.368 0.000 1.111 18 I CA 1.464 62.661 61.300 -0.172 0.000 1.382 18 I CB -0.153 37.755 38.000 -0.155 0.000 1.060 18 I HN 0.222 8.432 8.210 -0.000 0.000 0.418 19 N N 1.263 119.674 118.700 -0.481 0.000 2.058 19 N HA -0.241 4.499 4.740 0.001 0.000 0.191 19 N C 2.019 177.393 175.510 -0.228 0.000 1.037 19 N CA 1.768 54.513 53.050 -0.508 0.000 0.848 19 N CB -0.144 38.142 38.487 -0.336 0.000 1.021 19 N HN 0.289 8.669 8.380 -0.000 0.000 0.422 20 R N 0.392 120.813 120.500 -0.131 0.000 2.073 20 R HA -0.039 4.302 4.340 0.001 0.000 0.234 20 R C 2.195 178.450 176.300 -0.074 0.000 1.134 20 R CA 1.662 57.720 56.100 -0.069 0.000 0.952 20 R CB -0.962 29.328 30.300 -0.017 0.000 0.850 20 R HN 0.277 8.547 8.270 -0.000 0.000 0.433 21 I N 1.397 121.916 120.570 -0.085 0.000 2.208 21 I HA -0.245 3.925 4.170 0.001 0.000 0.245 21 I C 2.099 178.172 176.117 -0.074 0.000 1.097 21 I CA 1.780 63.034 61.300 -0.078 0.000 1.363 21 I CB -0.417 37.536 38.000 -0.077 0.000 1.051 21 I HN 0.316 8.526 8.210 -0.000 0.000 0.413 22 T N 0.372 114.862 114.554 -0.108 0.000 2.851 22 T HA -0.027 4.324 4.350 0.001 0.000 0.262 22 T C 1.446 176.112 174.700 -0.056 0.000 1.043 22 T CA 1.174 63.223 62.100 -0.085 0.000 1.140 22 T CB -0.032 68.764 68.868 -0.120 0.000 0.872 22 T HN 0.294 8.534 8.240 -0.000 0.000 0.446 23 N N -0.229 118.432 118.700 -0.065 0.000 2.171 23 N HA 0.232 4.973 4.740 0.001 0.000 0.212 23 N C 1.176 176.673 175.510 -0.023 0.000 1.184 23 N CA 0.172 53.204 53.050 -0.031 0.000 0.888 23 N CB 0.902 39.380 38.487 -0.015 0.000 1.038 23 N HN 0.289 8.669 8.380 -0.000 0.000 0.517 24 K N -0.318 120.063 120.400 -0.031 0.000 2.412 24 K HA 0.337 4.657 4.320 0.001 0.000 0.201 24 K C 0.744 177.332 176.600 -0.020 0.000 1.275 24 K CA 0.136 56.411 56.287 -0.020 0.000 0.910 24 K CB 1.055 33.545 32.500 -0.016 0.000 1.346 24 K HN -0.107 8.143 8.250 -0.000 0.000 0.490 25 L N 0.178 121.383 121.223 -0.030 0.000 2.744 25 L HA 0.301 4.641 4.340 0.001 0.000 0.218 25 L C 0.370 177.223 176.870 -0.027 0.000 1.190 25 L CA -0.580 54.242 54.840 -0.031 0.000 0.869 25 L CB 0.926 42.958 42.059 -0.045 0.000 1.652 25 L HN -0.002 8.228 8.230 -0.000 0.000 0.519 26 S N -1.343 114.339 115.700 -0.030 0.000 2.536 26 S HA 0.610 5.081 4.470 0.001 0.000 0.287 26 S C -0.024 174.557 174.600 -0.031 0.000 1.101 26 S CA 0.138 58.322 58.200 -0.026 0.000 0.950 26 S CB 1.511 64.699 63.200 -0.021 0.000 1.056 26 S HN 1.015 9.325 8.310 -0.000 0.000 0.481 27 G N 1.616 110.401 108.800 -0.026 0.000 2.204 27 G HA2 0.337 4.298 3.960 0.001 0.000 0.244 27 G HA3 0.337 4.298 3.960 0.001 0.000 0.244 27 G C 0.067 174.949 174.900 -0.029 0.000 1.062 27 G CA -0.059 45.024 45.100 -0.028 0.000 0.798 27 G HN 1.715 10.005 8.290 -0.000 0.000 0.496 28 A N -0.711 122.096 122.820 -0.021 0.000 2.599 28 A HA 0.870 5.191 4.320 0.001 0.000 0.294 28 A C -0.550 177.030 177.584 -0.006 0.000 1.055 28 A CA 0.229 52.259 52.037 -0.013 0.000 0.683 28 A CB 1.186 20.177 19.000 -0.014 0.000 1.278 28 A HN 1.631 9.781 8.150 -0.000 0.000 0.412 29 E N 0.946 121.149 120.200 0.006 0.000 2.429 29 E HA 0.699 5.049 4.350 0.001 0.000 0.276 29 E C -1.458 175.156 176.600 0.023 0.000 0.953 29 E CA -0.959 55.446 56.400 0.009 0.000 0.787 29 E CB 1.404 31.112 29.700 0.013 0.000 1.307 29 E HN 0.370 8.730 8.360 -0.000 0.000 0.458 30 I N 2.800 123.384 120.570 0.024 0.000 2.312 30 I HA 0.127 4.297 4.170 0.001 0.000 0.290 30 I C 0.720 176.870 176.117 0.056 0.000 1.008 30 I CA -0.784 60.540 61.300 0.041 0.000 1.226 30 I CB 1.006 39.026 38.000 0.033 0.000 1.371 30 I HN 0.652 8.862 8.210 -0.000 0.000 0.468 31 V N 2.934 122.892 119.914 0.073 0.000 3.159 31 V HA 0.835 4.956 4.120 0.001 0.000 0.333 31 V C 0.285 176.454 176.094 0.126 0.000 1.424 31 V CA -0.147 62.203 62.300 0.083 0.000 1.125 31 V CB 0.257 32.128 31.823 0.079 0.000 1.075 31 V HN 0.806 8.996 8.190 -0.000 0.000 0.482 32 A N 0.419 123.323 122.820 0.140 0.000 2.573 32 A HA 0.670 4.990 4.320 0.001 0.000 0.312 32 A C -0.972 176.726 177.584 0.189 0.000 1.041 32 A CA 0.113 52.288 52.037 0.228 0.000 0.880 32 A CB 0.986 20.164 19.000 0.297 0.000 1.249 32 A HN 1.652 9.802 8.150 -0.000 0.000 0.385 33 V N -0.656 119.377 119.914 0.198 0.000 3.078 33 V HA 1.022 5.143 4.120 0.001 0.000 0.311 33 V C -0.527 175.678 176.094 0.185 0.000 1.138 33 V CA 0.080 62.475 62.300 0.158 0.000 1.007 33 V CB 1.726 33.617 31.823 0.113 0.000 1.045 33 V HN 2.102 10.292 8.190 -0.000 0.000 0.432 34 T N 1.106 115.748 114.554 0.147 0.000 3.105 34 T HA 0.543 4.894 4.350 0.001 0.000 0.321 34 T C -1.258 173.502 174.700 0.100 0.000 1.135 34 T CA -0.082 62.098 62.100 0.133 0.000 1.053 34 T CB 1.572 70.532 68.868 0.153 0.000 1.133 34 T HN 1.204 9.444 8.240 -0.000 0.000 0.463 35 D N 1.855 122.303 120.400 0.081 0.000 2.616 35 D HA 0.618 5.258 4.640 0.001 0.000 0.260 35 D C 0.603 176.935 176.300 0.054 0.000 1.158 35 D CA -0.456 53.586 54.000 0.069 0.000 1.085 35 D CB 1.896 42.731 40.800 0.058 0.000 1.222 35 D HN 0.273 8.643 8.370 -0.000 0.000 0.626 36 V N 0.379 120.316 119.914 0.037 0.000 3.570 36 V HA 0.183 4.303 4.120 0.001 0.000 0.257 36 V C 0.213 176.306 176.094 -0.003 0.000 1.272 36 V CA 0.218 62.528 62.300 0.016 0.000 1.079 36 V CB -0.111 31.713 31.823 0.002 0.000 0.829 36 V HN 0.513 8.703 8.190 -0.000 0.000 0.454 37 N N 1.172 119.872 118.700 -0.001 0.000 3.034 37 N HA 0.059 4.800 4.740 0.001 0.000 0.265 37 N C 1.115 176.630 175.510 0.008 0.000 1.166 37 N CA 0.239 53.286 53.050 -0.005 0.000 1.081 37 N CB 0.698 39.180 38.487 -0.008 0.000 1.378 37 N HN 0.487 8.867 8.380 -0.000 0.000 0.520 38 Q N 1.112 120.918 119.800 0.011 0.000 2.197 38 Q HA -0.278 4.063 4.340 0.001 0.000 0.211 38 Q C 1.431 177.438 176.000 0.011 0.000 0.993 38 Q CA 2.105 57.918 55.803 0.016 0.000 0.883 38 Q CB 0.007 28.752 28.738 0.013 0.000 0.916 38 Q HN 0.725 8.995 8.270 -0.000 0.000 0.418 39 E N -0.865 119.337 120.200 0.003 0.000 2.051 39 E HA -0.239 4.112 4.350 0.001 0.000 0.192 39 E C 1.880 178.482 176.600 0.003 0.000 0.991 39 E CA 1.016 57.416 56.400 -0.001 0.000 0.799 39 E CB -0.298 29.398 29.700 -0.005 0.000 0.748 39 E HN 0.516 8.876 8.360 -0.000 0.000 0.449 40 A N 1.324 124.147 122.820 0.006 0.000 1.927 40 A HA -0.253 4.067 4.320 0.001 0.000 0.220 40 A C 2.406 180.004 177.584 0.023 0.000 1.185 40 A CA 2.289 54.333 52.037 0.012 0.000 0.639 40 A CB -0.944 18.066 19.000 0.017 0.000 0.820 40 A HN 0.453 8.603 8.150 -0.000 0.000 0.451 41 A N -1.179 121.659 122.820 0.031 0.000 1.902 41 A HA -0.201 4.119 4.320 0.001 0.000 0.217 41 A C 2.126 179.728 177.584 0.030 0.000 1.181 41 A CA 1.742 53.805 52.037 0.042 0.000 0.623 41 A CB -0.558 18.472 19.000 0.050 0.000 0.818 41 A HN 0.656 8.806 8.150 -0.000 0.000 0.443 42 Q N -0.087 119.721 119.800 0.014 0.000 2.030 42 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 42 Q C 2.058 178.057 176.000 -0.000 0.000 0.986 42 Q CA 1.858 57.662 55.803 0.003 0.000 0.843 42 Q CB -0.212 28.522 28.738 -0.007 0.000 0.904 42 Q HN 0.608 8.878 8.270 -0.000 0.000 0.420 43 K N 0.031 120.427 120.400 -0.006 0.000 2.127 43 K HA -0.186 4.134 4.320 0.001 0.000 0.208 43 K C 2.086 178.666 176.600 -0.034 0.000 1.047 43 K CA 1.453 57.726 56.287 -0.023 0.000 0.927 43 K CB -0.441 32.044 32.500 -0.025 0.000 0.716 43 K HN 0.101 8.351 8.250 -0.000 0.000 0.450 44 V N 1.431 121.344 119.914 -0.003 0.000 2.229 44 V HA -0.223 3.898 4.120 0.001 0.000 0.243 44 V C 2.473 178.597 176.094 0.051 0.000 1.042 44 V CA 1.508 63.821 62.300 0.021 0.000 1.000 44 V CB -0.385 31.504 31.823 0.109 0.000 0.637 44 V HN 0.036 8.226 8.190 -0.000 0.000 0.446 45 V N 0.020 119.975 119.914 0.069 0.000 2.357 45 V HA -0.386 3.735 4.120 0.001 0.000 0.257 45 V C 2.313 178.432 176.094 0.041 0.000 1.082 45 V CA 2.470 64.812 62.300 0.069 0.000 1.078 45 V CB -0.855 30.993 31.823 0.040 0.000 0.663 45 V HN 0.652 8.842 8.190 -0.000 0.000 0.455 46 E N -0.508 119.693 120.200 0.001 0.000 2.008 46 E HA -0.257 4.093 4.350 0.001 0.000 0.191 46 E C 2.284 178.847 176.600 -0.061 0.000 0.986 46 E CA 1.120 57.506 56.400 -0.023 0.000 0.807 46 E CB -0.280 29.400 29.700 -0.033 0.000 0.766 46 E HN 0.627 8.987 8.360 -0.000 0.000 0.450 47 Q N -0.074 119.643 119.800 -0.139 0.000 2.146 47 Q HA -0.253 4.088 4.340 0.001 0.000 0.217 47 Q C 0.757 176.556 176.000 -0.334 0.000 1.023 47 Q CA 1.978 57.591 55.803 -0.315 0.000 0.903 47 Q CB -0.154 28.271 28.738 -0.520 0.000 0.990 47 Q HN 0.338 8.608 8.270 -0.000 0.000 0.413 48 Y N -0.171 120.130 120.300 0.002 0.000 2.708 48 Y HA 0.243 4.794 4.550 0.001 0.000 0.287 48 Y C -0.291 175.611 175.900 0.004 0.000 1.145 48 Y CA -0.202 57.900 58.100 0.003 0.000 1.249 48 Y CB 0.211 38.675 38.460 0.007 0.000 1.152 48 Y HN 0.141 8.421 8.280 -0.000 0.000 0.532 49 Q N 0.584 120.444 119.800 0.100 0.000 2.402 49 Q HA -0.206 4.134 4.340 0.001 0.000 0.356 49 Q C -0.579 175.467 176.000 0.077 0.000 1.344 49 Q CA 0.594 56.437 55.803 0.067 0.000 1.062 49 Q CB -1.353 27.417 28.738 0.053 0.000 1.268 49 Q HN 0.524 8.794 8.270 -0.000 0.000 0.383 50 L N -0.084 121.190 121.223 0.085 0.000 2.468 50 L HA 0.296 4.636 4.340 0.001 0.000 0.254 50 L C 0.834 177.731 176.870 0.045 0.000 1.171 50 L CA -0.589 54.293 54.840 0.070 0.000 0.809 50 L CB 0.529 42.637 42.059 0.082 0.000 1.155 50 L HN 0.218 8.448 8.230 -0.000 0.000 0.473 51 N N 1.503 120.226 118.700 0.038 0.000 3.012 51 N HA 0.474 5.215 4.740 0.001 0.000 0.270 51 N C -0.864 174.665 175.510 0.032 0.000 1.469 51 N CA -0.047 53.020 53.050 0.028 0.000 0.928 51 N CB 1.238 39.739 38.487 0.024 0.000 1.219 51 N HN 0.616 8.996 8.380 -0.000 0.000 0.492 52 A N -0.154 122.684 122.820 0.031 0.000 2.423 52 A HA 0.746 5.067 4.320 0.001 0.000 0.304 52 A C 0.100 177.687 177.584 0.004 0.000 1.104 52 A CA -0.503 51.557 52.037 0.039 0.000 0.757 52 A CB 0.956 19.993 19.000 0.061 0.000 1.313 52 A HN 0.167 8.317 8.150 -0.000 0.000 0.423 53 T N 0.777 115.325 114.554 -0.009 0.000 2.910 53 T HA 0.448 4.799 4.350 0.001 0.000 0.293 53 T C -0.190 174.386 174.700 -0.206 0.000 1.015 53 T CA -0.084 61.915 62.100 -0.169 0.000 1.094 53 T CB 0.895 69.575 68.868 -0.314 0.000 0.968 53 T HN 0.478 8.718 8.240 -0.000 0.000 0.521 54 V N 3.926 123.664 119.914 -0.293 0.000 2.275 54 V HA 0.289 4.409 4.120 0.001 0.000 0.272 54 V C -0.778 175.162 176.094 -0.257 0.000 1.028 54 V CA -0.899 61.298 62.300 -0.171 0.000 0.810 54 V CB -0.599 31.177 31.823 -0.078 0.000 1.043 54 V HN 0.747 8.937 8.190 -0.000 0.000 0.453 55 Y N 5.879 126.194 120.300 0.026 0.000 2.301 55 Y HA 0.298 4.849 4.550 0.001 0.000 0.328 55 Y C -1.261 174.653 175.900 0.022 0.000 1.242 55 Y CA -2.002 56.112 58.100 0.023 0.000 1.323 55 Y CB 0.626 39.100 38.460 0.025 0.000 1.266 55 Y HN 0.396 8.676 8.280 -0.000 0.000 0.527 56 P HA -0.032 4.388 4.420 -0.000 0.000 0.224 56 P C -0.925 176.434 177.300 0.099 0.000 1.157 56 P CA 1.072 64.231 63.100 0.098 0.000 0.799 56 P CB 0.340 32.086 31.700 0.076 0.000 0.809 57 N N -2.455 116.319 118.700 0.124 0.000 2.972 57 N HA 0.094 4.835 4.740 0.001 0.000 0.262 57 N C 0.162 175.712 175.510 0.066 0.000 1.478 57 N CA -0.714 52.387 53.050 0.085 0.000 0.841 57 N CB -0.139 38.382 38.487 0.057 0.000 1.512 57 N HN -0.342 8.038 8.380 -0.000 0.000 0.548 58 D N -0.595 119.828 120.400 0.038 0.000 2.144 58 D HA -0.207 4.434 4.640 0.001 0.000 0.199 58 D C 0.448 176.721 176.300 -0.046 0.000 0.984 58 D CA 1.350 55.351 54.000 0.001 0.000 0.834 58 D CB -0.514 40.296 40.800 0.016 0.000 0.955 58 D HN 0.601 8.971 8.370 -0.000 0.000 0.465 59 D N 1.011 121.397 120.400 -0.024 0.000 2.092 59 D HA -0.133 4.508 4.640 0.001 0.000 0.193 59 D C 2.229 178.480 176.300 -0.081 0.000 0.994 59 D CA 2.016 55.993 54.000 -0.039 0.000 0.828 59 D CB -0.089 40.705 40.800 -0.009 0.000 0.963 59 D HN 0.268 8.638 8.370 -0.000 0.000 0.450 60 S N 1.367 117.034 115.700 -0.055 0.000 2.370 60 S HA -0.179 4.292 4.470 0.001 0.000 0.226 60 S C 2.180 176.485 174.600 -0.492 0.000 1.033 60 S CA 0.695 58.856 58.200 -0.065 0.000 1.011 60 S CB -0.587 62.725 63.200 0.186 0.000 0.852 60 S HN 0.231 8.541 8.310 -0.000 0.000 0.457 61 L N 0.980 121.817 121.223 -0.642 0.000 2.044 61 L HA 0.096 4.437 4.340 0.001 0.000 0.205 61 L C 2.258 178.817 176.870 -0.518 0.000 1.075 61 L CA 1.056 55.266 54.840 -1.050 0.000 0.747 61 L CB -0.258 41.532 42.059 -0.449 0.000 0.903 61 L HN 0.262 8.492 8.230 -0.000 0.000 0.435 62 L N -0.427 120.636 121.223 -0.266 0.000 2.131 62 L HA -0.203 4.138 4.340 0.001 0.000 0.210 62 L C 2.753 179.537 176.870 -0.144 0.000 1.092 62 L CA 0.864 55.612 54.840 -0.153 0.000 0.759 62 L CB -0.900 41.105 42.059 -0.089 0.000 0.903 62 L HN 0.383 8.613 8.230 -0.000 0.000 0.435 63 A N -0.119 122.602 122.820 -0.164 0.000 1.848 63 A HA -0.271 4.049 4.320 0.001 0.000 0.217 63 A C 1.062 178.585 177.584 -0.102 0.000 1.220 63 A CA 1.409 53.380 52.037 -0.110 0.000 0.645 63 A CB -0.797 18.150 19.000 -0.088 0.000 0.842 63 A HN 0.435 8.585 8.150 -0.000 0.000 0.451 64 D N -0.106 120.203 120.400 -0.152 0.000 2.908 64 D HA -0.098 4.543 4.640 0.001 0.000 0.215 64 D C 0.741 177.023 176.300 -0.031 0.000 1.095 64 D CA 0.948 54.913 54.000 -0.058 0.000 0.812 64 D CB 0.272 41.035 40.800 -0.062 0.000 1.180 64 D HN 0.558 8.928 8.370 -0.000 0.000 0.512 65 E N 1.420 121.624 120.200 0.008 0.000 2.389 65 E HA -0.055 4.296 4.350 0.001 0.000 0.199 65 E C 1.361 177.973 176.600 0.019 0.000 0.978 65 E CA -0.167 56.236 56.400 0.005 0.000 0.912 65 E CB 0.054 29.758 29.700 0.006 0.000 0.907 65 E HN 0.552 8.912 8.360 -0.000 0.000 0.494 66 N N 1.585 120.308 118.700 0.038 0.000 2.571 66 N HA -0.066 4.675 4.740 0.001 0.000 0.189 66 N C 0.271 175.810 175.510 0.048 0.000 1.154 66 N CA 0.378 53.454 53.050 0.044 0.000 0.907 66 N CB 0.291 38.810 38.487 0.053 0.000 0.977 66 N HN 0.003 8.383 8.380 -0.000 0.000 0.449 67 V N -0.203 119.735 119.914 0.040 0.000 2.409 67 V HA 0.386 4.507 4.120 0.001 0.000 0.291 67 V C -0.537 175.578 176.094 0.037 0.000 1.020 67 V CA -0.733 61.593 62.300 0.044 0.000 0.848 67 V CB 1.615 33.463 31.823 0.042 0.000 0.990 67 V HN 0.020 8.210 8.190 -0.000 0.000 0.430 68 D N 4.297 124.736 120.400 0.064 0.000 2.433 68 D HA 0.577 5.217 4.640 0.001 0.000 0.211 68 D C 0.447 176.845 176.300 0.163 0.000 1.114 68 D CA 0.758 54.805 54.000 0.078 0.000 0.837 68 D CB 0.954 41.811 40.800 0.095 0.000 0.984 68 D HN 1.088 9.458 8.370 -0.000 0.000 0.505 69 A N 0.292 123.217 122.820 0.174 0.000 2.594 69 A HA 0.624 4.944 4.320 0.001 0.000 0.296 69 A C -1.216 176.512 177.584 0.240 0.000 1.061 69 A CA -0.702 51.501 52.037 0.277 0.000 0.689 69 A CB 1.590 20.787 19.000 0.329 0.000 1.280 69 A HN 0.366 8.516 8.150 -0.000 0.000 0.406 70 V N -0.491 119.580 119.914 0.261 0.000 2.735 70 V HA 0.854 4.975 4.120 0.001 0.000 0.310 70 V C -1.189 174.980 176.094 0.125 0.000 1.061 70 V CA -1.039 61.357 62.300 0.159 0.000 0.913 70 V CB 1.531 33.409 31.823 0.093 0.000 1.005 70 V HN 0.731 8.921 8.190 -0.000 0.000 0.428 71 L N 4.337 125.602 121.223 0.069 0.000 2.260 71 L HA 0.489 4.829 4.340 0.001 0.000 0.289 71 L C 0.162 177.047 176.870 0.025 0.000 1.057 71 L CA -0.124 54.742 54.840 0.045 0.000 0.811 71 L CB 1.311 43.393 42.059 0.038 0.000 1.184 71 L HN 0.650 8.880 8.230 -0.000 0.000 0.429 72 V N 3.590 123.473 119.914 -0.052 0.000 2.353 72 V HA 0.357 4.478 4.120 0.001 0.000 0.264 72 V C 0.534 176.508 176.094 -0.201 0.000 1.049 72 V CA -0.141 62.079 62.300 -0.133 0.000 0.896 72 V CB 0.738 32.424 31.823 -0.228 0.000 1.025 72 V HN 0.913 9.103 8.190 -0.000 0.000 0.475 73 T N 0.006 114.535 114.554 -0.042 0.000 3.866 73 T HA 0.355 4.706 4.350 0.001 0.000 0.241 73 T C 0.064 174.859 174.700 0.158 0.000 1.017 73 T CA -0.058 62.075 62.100 0.053 0.000 1.300 73 T CB 0.371 69.335 68.868 0.159 0.000 0.968 73 T HN 0.622 8.862 8.240 -0.000 0.000 0.595 74 S N -0.271 115.569 115.700 0.232 0.000 2.776 74 S HA 0.741 5.212 4.470 0.001 0.000 0.306 74 S C -0.332 174.529 174.600 0.435 0.000 1.114 74 S CA -1.135 57.251 58.200 0.310 0.000 0.973 74 S CB 0.350 63.708 63.200 0.264 0.000 1.250 74 S HN 0.522 8.832 8.310 -0.000 0.000 0.549 75 W N 1.626 122.994 121.300 0.113 0.000 2.377 75 W HA 0.363 5.023 4.660 0.001 0.000 0.341 75 W C 1.498 177.895 176.519 -0.205 0.000 1.240 75 W CA 0.826 58.169 57.345 -0.004 0.000 1.311 75 W CB -0.219 29.237 29.460 -0.006 0.000 1.175 75 W HN 0.948 9.128 8.180 -0.000 0.000 0.571 76 G N 4.946 113.266 108.800 -0.800 0.000 2.529 76 G HA2 -0.282 3.679 3.960 0.001 0.000 0.219 76 G HA3 -0.282 3.679 3.960 0.001 0.000 0.219 76 G C -0.908 173.443 174.900 -0.916 0.000 1.177 76 G CA 1.409 45.866 45.100 -1.071 0.000 0.773 76 G HN 0.487 8.777 8.290 -0.000 0.000 0.573 77 P HA 0.125 4.545 4.420 -0.000 0.000 0.223 77 P C 1.651 178.888 177.300 -0.105 0.000 1.151 77 P CA 1.417 64.267 63.100 -0.417 0.000 0.787 77 P CB 0.037 31.452 31.700 -0.474 0.000 0.788 78 A N -1.940 120.902 122.820 0.037 0.000 2.238 78 A HA -0.058 4.262 4.320 0.001 0.000 0.208 78 A C 1.655 179.358 177.584 0.199 0.000 1.177 78 A CA 0.425 52.569 52.037 0.180 0.000 0.804 78 A CB -1.318 17.854 19.000 0.288 0.000 0.823 78 A HN 0.245 8.395 8.150 -0.000 0.000 0.482 79 H N -0.528 118.543 119.070 0.001 0.000 2.253 79 H HA -0.175 4.381 4.556 0.001 0.000 0.299 79 H C 2.117 177.434 175.328 -0.019 0.000 1.064 79 H CA 1.308 57.342 56.048 -0.023 0.000 1.264 79 H CB -0.058 29.661 29.762 -0.071 0.000 1.371 79 H HN 0.655 8.935 8.280 -0.000 0.000 0.493 80 E N 0.633 120.904 120.200 0.118 0.000 2.132 80 E HA -0.331 4.020 4.350 0.001 0.000 0.218 80 E C 2.469 179.096 176.600 0.045 0.000 1.058 80 E CA 1.956 58.387 56.400 0.053 0.000 0.882 80 E CB -0.224 29.492 29.700 0.026 0.000 0.774 80 E HN 0.270 8.630 8.360 -0.000 0.000 0.467 81 S N -0.557 115.174 115.700 0.053 0.000 2.365 81 S HA -0.197 4.274 4.470 0.001 0.000 0.225 81 S C 2.144 176.767 174.600 0.038 0.000 1.039 81 S CA 2.085 60.312 58.200 0.044 0.000 1.033 81 S CB -0.403 62.829 63.200 0.053 0.000 0.887 81 S HN 0.366 8.676 8.310 -0.000 0.000 0.447 82 S N 0.534 116.263 115.700 0.049 0.000 2.382 82 S HA -0.052 4.419 4.470 0.001 0.000 0.228 82 S C 1.893 176.501 174.600 0.014 0.000 1.027 82 S CA 1.335 59.555 58.200 0.034 0.000 0.991 82 S CB -0.499 62.726 63.200 0.042 0.000 0.823 82 S HN 0.444 8.754 8.310 -0.000 0.000 0.469 83 V N 2.022 121.942 119.914 0.010 0.000 2.283 83 V HA -0.109 4.011 4.120 0.001 0.000 0.243 83 V C 2.198 178.297 176.094 0.010 0.000 1.039 83 V CA 1.392 63.693 62.300 0.001 0.000 1.016 83 V CB -0.752 31.064 31.823 -0.010 0.000 0.650 83 V HN 0.392 8.582 8.190 -0.000 0.000 0.449 84 L N -0.359 120.871 121.223 0.011 0.000 2.043 84 L HA -0.266 4.075 4.340 0.001 0.000 0.212 84 L C 2.609 179.481 176.870 0.002 0.000 1.075 84 L CA 1.853 56.697 54.840 0.008 0.000 0.752 84 L CB -0.656 41.407 42.059 0.007 0.000 0.891 84 L HN 0.319 8.549 8.230 -0.000 0.000 0.432 85 K N -0.069 120.333 120.400 0.002 0.000 1.991 85 K HA -0.196 4.125 4.320 0.001 0.000 0.212 85 K C 2.215 178.809 176.600 -0.011 0.000 1.049 85 K CA 1.590 57.875 56.287 -0.005 0.000 0.932 85 K CB -0.447 32.051 32.500 -0.003 0.000 0.717 85 K HN 0.295 8.545 8.250 -0.000 0.000 0.441 86 A N 1.483 124.300 122.820 -0.005 0.000 2.024 86 A HA -0.166 4.155 4.320 0.001 0.000 0.220 86 A C 2.089 179.668 177.584 -0.009 0.000 1.164 86 A CA 1.377 53.411 52.037 -0.006 0.000 0.643 86 A CB -0.748 18.260 19.000 0.013 0.000 0.806 86 A HN 0.236 8.386 8.150 -0.000 0.000 0.451 87 I N -0.876 119.693 120.570 -0.001 0.000 2.202 87 I HA -0.251 3.920 4.170 0.001 0.000 0.242 87 I C 2.384 178.487 176.117 -0.025 0.000 1.091 87 I CA 1.652 62.949 61.300 -0.004 0.000 1.368 87 I CB -0.439 37.566 38.000 0.009 0.000 1.058 87 I HN 0.290 8.500 8.210 -0.000 0.000 0.410 88 K N 1.337 121.723 120.400 -0.024 0.000 2.097 88 K HA -0.039 4.281 4.320 0.001 0.000 0.205 88 K C 2.079 178.656 176.600 -0.038 0.000 1.050 88 K CA 1.339 57.608 56.287 -0.030 0.000 0.938 88 K CB -0.260 32.226 32.500 -0.024 0.000 0.718 88 K HN 0.257 8.507 8.250 -0.000 0.000 0.442 89 A N 1.102 123.899 122.820 -0.039 0.000 2.248 89 A HA -0.154 4.167 4.320 0.001 0.000 0.210 89 A C 0.252 177.796 177.584 -0.066 0.000 1.174 89 A CA 0.662 52.670 52.037 -0.048 0.000 0.750 89 A CB -0.467 18.504 19.000 -0.048 0.000 0.780 89 A HN 0.416 8.566 8.150 -0.000 0.000 0.478 90 Q N -1.144 118.611 119.800 -0.075 0.000 2.475 90 Q HA -0.185 4.156 4.340 0.001 0.000 0.280 90 Q C -0.575 175.312 176.000 -0.189 0.000 1.234 90 Q CA 1.077 56.809 55.803 -0.118 0.000 0.873 90 Q CB -1.247 27.428 28.738 -0.105 0.000 1.256 90 Q HN 0.677 8.947 8.270 -0.000 0.000 0.475 91 K N 0.131 120.442 120.400 -0.149 0.000 2.139 91 K HA 0.438 4.759 4.320 0.001 0.000 0.243 91 K C -0.328 176.189 176.600 -0.140 0.000 0.983 91 K CA -0.744 55.445 56.287 -0.164 0.000 0.890 91 K CB 0.629 33.105 32.500 -0.040 0.000 1.090 91 K HN -0.027 8.223 8.250 -0.000 0.000 0.445 92 Y N -0.138 120.207 120.300 0.076 0.000 2.309 92 Y HA 0.252 4.802 4.550 0.001 0.000 0.327 92 Y C 0.430 176.492 175.900 0.270 0.000 1.172 92 Y CA -0.460 57.724 58.100 0.140 0.000 1.280 92 Y CB 1.118 39.605 38.460 0.046 0.000 1.234 92 Y HN 0.159 8.439 8.280 -0.000 0.000 0.512 93 V N 5.836 126.029 119.914 0.465 0.000 2.577 93 V HA 0.470 4.591 4.120 0.001 0.000 0.303 93 V C -1.693 174.543 176.094 0.238 0.000 1.042 93 V CA -1.023 61.460 62.300 0.305 0.000 0.872 93 V CB 1.122 33.023 31.823 0.130 0.000 0.998 93 V HN 0.593 8.783 8.190 -0.000 0.000 0.423 94 F N 7.774 127.587 119.950 -0.227 0.000 2.411 94 F HA 0.686 5.214 4.527 0.001 0.000 0.352 94 F C -0.270 175.327 175.800 -0.339 0.000 1.123 94 F CA -0.478 57.212 58.000 -0.517 0.000 1.044 94 F CB 1.021 39.291 39.000 -1.216 0.000 1.135 94 F HN 0.679 8.979 8.300 -0.000 0.000 0.461 95 C N 8.109 126.806 119.300 -1.004 0.000 2.322 95 C HA 0.450 4.911 4.460 0.001 0.000 0.324 95 C C -0.226 174.198 174.990 -0.942 0.000 1.249 95 C CA -0.598 57.955 59.018 -0.774 0.000 1.453 95 C CB -0.126 27.338 27.740 -0.460 0.000 2.145 95 C HN 0.840 9.070 8.230 -0.000 0.000 0.466 96 E N 3.407 123.199 120.200 -0.680 0.000 2.413 96 E HA 0.049 4.400 4.350 0.001 0.000 0.263 96 E C 0.122 176.574 176.600 -0.245 0.000 1.015 96 E CA 0.305 56.496 56.400 -0.348 0.000 0.916 96 E CB 0.761 30.453 29.700 -0.013 0.000 0.947 96 E HN 0.803 9.163 8.360 -0.000 0.000 0.440 97 K N 2.451 122.703 120.400 -0.247 0.000 2.527 97 K HA 0.101 4.422 4.320 0.001 0.000 0.278 97 K C -2.454 174.161 176.600 0.025 0.000 0.981 97 K CA -0.783 55.397 56.287 -0.179 0.000 1.009 97 K CB -0.328 32.053 32.500 -0.198 0.000 0.895 97 K HN 0.055 8.305 8.250 -0.000 0.000 0.493 98 P HA 0.037 4.457 4.420 -0.000 0.000 0.278 98 P C 0.081 177.407 177.300 0.043 0.000 1.258 98 P CA -0.787 62.290 63.100 -0.038 0.000 0.811 98 P CB 0.608 32.243 31.700 -0.108 0.000 1.063 99 L N 0.856 122.048 121.223 -0.052 0.000 2.023 99 L HA 0.227 4.567 4.340 0.001 0.000 0.205 99 L C 0.546 177.423 176.870 0.011 0.000 1.073 99 L CA 1.899 56.709 54.840 -0.050 0.000 0.745 99 L CB -1.035 40.989 42.059 -0.058 0.000 0.900 99 L HN 0.516 8.746 8.230 -0.000 0.000 0.435 100 A N -2.746 120.070 122.820 -0.007 0.000 2.520 100 A HA 0.467 4.788 4.320 0.001 0.000 0.298 100 A C 0.806 178.358 177.584 -0.052 0.000 1.051 100 A CA 0.138 52.165 52.037 -0.016 0.000 0.690 100 A CB 0.451 19.451 19.000 -0.001 0.000 1.281 100 A HN 0.306 8.456 8.150 -0.000 0.000 0.402 101 T N -0.995 113.506 114.554 -0.089 0.000 2.833 101 T HA 0.011 4.361 4.350 0.001 0.000 0.269 101 T C 0.976 175.630 174.700 -0.075 0.000 1.054 101 T CA 1.944 63.975 62.100 -0.116 0.000 1.135 101 T CB -0.782 67.990 68.868 -0.160 0.000 0.869 101 T HN 1.499 9.739 8.240 -0.000 0.000 0.466 102 T N -2.119 112.407 114.554 -0.046 0.000 2.940 102 T HA 0.816 5.166 4.350 0.001 0.000 0.288 102 T C 1.429 176.131 174.700 0.004 0.000 1.033 102 T CA -0.478 61.607 62.100 -0.025 0.000 1.033 102 T CB 1.806 70.663 68.868 -0.018 0.000 1.079 102 T HN 0.123 8.363 8.240 -0.000 0.000 0.496 103 A N 1.692 124.526 122.820 0.022 0.000 1.858 103 A HA -0.098 4.223 4.320 0.001 0.000 0.216 103 A C 2.302 179.951 177.584 0.108 0.000 1.190 103 A CA 1.625 53.718 52.037 0.094 0.000 0.617 103 A CB -0.955 18.103 19.000 0.096 0.000 0.827 103 A HN 1.008 9.158 8.150 -0.000 0.000 0.443 104 E N 0.133 120.366 120.200 0.055 0.000 2.085 104 E HA -0.167 4.184 4.350 0.001 0.000 0.194 104 E C 2.035 178.635 176.600 0.001 0.000 0.994 104 E CA 1.611 58.022 56.400 0.018 0.000 0.801 104 E CB -1.297 28.410 29.700 0.011 0.000 0.743 104 E HN 0.429 8.789 8.360 -0.000 0.000 0.453 105 G N 1.406 110.210 108.800 0.007 0.000 2.513 105 G HA2 -0.359 3.602 3.960 0.001 0.000 0.219 105 G HA3 -0.359 3.602 3.960 0.001 0.000 0.219 105 G C 1.880 176.782 174.900 0.005 0.000 1.160 105 G CA 1.561 46.662 45.100 0.003 0.000 0.767 105 G HN 0.442 8.732 8.290 -0.000 0.000 0.571 106 C N -0.351 118.961 119.300 0.020 0.000 2.413 106 C HA -0.044 4.417 4.460 0.001 0.000 0.276 106 C C 2.817 177.789 174.990 -0.030 0.000 1.248 106 C CA 1.239 60.273 59.018 0.026 0.000 1.742 106 C CB -0.644 27.158 27.740 0.103 0.000 2.017 106 C HN 0.454 8.684 8.230 -0.000 0.000 0.481 107 M N 0.859 120.402 119.600 -0.095 0.000 2.080 107 M HA -0.123 4.357 4.480 0.001 0.000 0.260 107 M C 2.271 178.530 176.300 -0.069 0.000 1.068 107 M CA 1.542 56.736 55.300 -0.178 0.000 1.109 107 M CB -1.104 31.382 32.600 -0.190 0.000 1.342 107 M HN 0.360 8.650 8.290 -0.000 0.000 0.405 108 R N -0.530 119.948 120.500 -0.037 0.000 2.091 108 R HA -0.143 4.198 4.340 0.001 0.000 0.238 108 R C 2.183 178.480 176.300 -0.005 0.000 1.136 108 R CA 1.776 57.865 56.100 -0.019 0.000 0.959 108 R CB -0.724 29.569 30.300 -0.011 0.000 0.856 108 R HN 0.419 8.689 8.270 -0.000 0.000 0.437 109 I N 0.660 121.234 120.570 0.006 0.000 2.286 109 I HA -0.241 3.930 4.170 0.001 0.000 0.248 109 I C 2.323 178.477 176.117 0.062 0.000 1.115 109 I CA 1.120 62.438 61.300 0.029 0.000 1.392 109 I CB -0.466 37.555 38.000 0.034 0.000 1.065 109 I HN -0.022 8.188 8.210 -0.000 0.000 0.418 110 V N 0.972 120.932 119.914 0.076 0.000 2.261 110 V HA -0.279 3.841 4.120 0.001 0.000 0.246 110 V C 2.375 178.514 176.094 0.075 0.000 1.047 110 V CA 2.006 64.402 62.300 0.160 0.000 1.015 110 V CB -0.825 31.120 31.823 0.204 0.000 0.642 110 V HN 0.391 8.581 8.190 -0.000 0.000 0.446 111 E N -0.234 119.974 120.200 0.015 0.000 2.097 111 E HA -0.239 4.112 4.350 0.001 0.000 0.196 111 E C 2.377 178.935 176.600 -0.069 0.000 1.000 111 E CA 1.402 57.779 56.400 -0.038 0.000 0.804 111 E CB -0.176 29.503 29.700 -0.035 0.000 0.740 111 E HN 0.507 8.867 8.360 -0.000 0.000 0.454 112 E N 0.505 120.681 120.200 -0.040 0.000 2.070 112 E HA -0.253 4.098 4.350 0.001 0.000 0.197 112 E C 1.980 178.534 176.600 -0.076 0.000 1.004 112 E CA 1.182 57.554 56.400 -0.047 0.000 0.805 112 E CB -0.210 29.479 29.700 -0.018 0.000 0.744 112 E HN 0.385 8.745 8.360 -0.000 0.000 0.451 113 E N 0.363 120.531 120.200 -0.053 0.000 2.106 113 E HA -0.131 4.220 4.350 0.001 0.000 0.192 113 E C 2.171 178.559 176.600 -0.354 0.000 0.984 113 E CA 0.761 57.121 56.400 -0.067 0.000 0.806 113 E CB -0.062 29.703 29.700 0.109 0.000 0.750 113 E HN 0.217 8.577 8.360 -0.000 0.000 0.458 114 I N 0.754 121.011 120.570 -0.522 0.000 2.361 114 I HA -0.248 3.923 4.170 0.001 0.000 0.251 114 I C 2.238 178.022 176.117 -0.555 0.000 1.133 114 I CA 1.025 61.746 61.300 -0.966 0.000 1.413 114 I CB -0.407 37.201 38.000 -0.653 0.000 1.073 114 I HN 0.091 8.301 8.210 -0.000 0.000 0.424 115 K N 1.141 121.362 120.400 -0.298 0.000 1.973 115 K HA -0.085 4.235 4.320 0.001 0.000 0.212 115 K C 1.669 178.181 176.600 -0.147 0.000 1.047 115 K CA 1.223 57.403 56.287 -0.179 0.000 0.937 115 K CB -0.361 32.071 32.500 -0.115 0.000 0.721 115 K HN 0.085 8.335 8.250 -0.000 0.000 0.440 116 V N 1.132 120.974 119.914 -0.119 0.000 3.494 116 V HA -0.070 4.050 4.120 0.001 0.000 0.272 116 V C 1.434 177.509 176.094 -0.031 0.000 1.233 116 V CA 1.282 63.543 62.300 -0.065 0.000 1.205 116 V CB -1.482 30.313 31.823 -0.046 0.000 0.958 116 V HN 0.739 8.929 8.190 -0.000 0.000 0.495 117 G N 1.023 109.790 108.800 -0.055 0.000 2.480 117 G HA2 -0.351 3.610 3.960 0.001 0.000 0.246 117 G HA3 -0.351 3.610 3.960 0.001 0.000 0.246 117 G C 0.430 175.466 174.900 0.227 0.000 1.073 117 G CA 0.961 46.090 45.100 0.049 0.000 0.643 117 G HN 0.712 9.002 8.290 -0.000 0.000 0.525 118 K N -1.091 119.446 120.400 0.228 0.000 2.137 118 K HA 0.759 5.079 4.320 0.001 0.000 0.251 118 K C -0.312 176.491 176.600 0.339 0.000 1.048 118 K CA -1.130 55.321 56.287 0.274 0.000 0.873 118 K CB 1.176 33.763 32.500 0.145 0.000 1.442 118 K HN 0.186 8.436 8.250 -0.000 0.000 0.467 119 R N 1.011 121.641 120.500 0.217 0.000 2.198 119 R HA 0.284 4.625 4.340 0.001 0.000 0.339 119 R C -0.090 176.378 176.300 0.281 0.000 1.020 119 R CA -0.250 55.990 56.100 0.233 0.000 0.864 119 R CB 0.124 30.504 30.300 0.133 0.000 1.105 119 R HN 0.729 8.999 8.270 -0.000 0.000 0.463 120 L N 3.565 124.963 121.223 0.291 0.000 2.781 120 L HA 0.315 4.656 4.340 0.001 0.000 0.245 120 L C -0.327 176.752 176.870 0.348 0.000 1.118 120 L CA -0.303 54.754 54.840 0.361 0.000 0.918 120 L CB 1.009 43.185 42.059 0.194 0.000 1.246 120 L HN 0.242 8.472 8.230 -0.000 0.000 0.526 121 V N 1.329 121.412 119.914 0.282 0.000 2.370 121 V HA 0.306 4.426 4.120 0.001 0.000 0.279 121 V C -0.328 175.897 176.094 0.218 0.000 1.029 121 V CA -0.242 62.193 62.300 0.225 0.000 0.870 121 V CB 1.470 33.394 31.823 0.169 0.000 0.984 121 V HN 0.207 8.397 8.190 -0.000 0.000 0.451 122 Q N 3.696 123.611 119.800 0.191 0.000 2.325 122 Q HA 0.573 4.913 4.340 0.001 0.000 0.270 122 Q C -1.448 174.458 176.000 -0.157 0.000 1.020 122 Q CA -0.495 55.398 55.803 0.150 0.000 0.785 122 Q CB 2.254 31.224 28.738 0.387 0.000 1.259 122 Q HN 0.601 8.871 8.270 -0.000 0.000 0.452 123 V N 2.586 122.381 119.914 -0.199 0.000 2.465 123 V HA 0.310 4.431 4.120 0.001 0.000 0.279 123 V C 1.048 176.817 176.094 -0.541 0.000 1.045 123 V CA -0.202 61.797 62.300 -0.501 0.000 0.938 123 V CB 1.492 33.022 31.823 -0.488 0.000 0.986 123 V HN 0.968 9.158 8.190 -0.000 0.000 0.467 124 G N 3.991 112.317 108.800 -0.789 0.000 3.325 124 G HA2 0.075 4.036 3.960 0.001 0.000 0.242 124 G HA3 0.075 4.036 3.960 0.001 0.000 0.242 124 G C -0.003 174.878 174.900 -0.032 0.000 1.120 124 G CA -0.144 44.794 45.100 -0.270 0.000 1.778 124 G HN 0.482 8.772 8.290 -0.000 0.000 0.610 125 F N 1.951 121.932 119.950 0.052 0.000 2.619 125 F HA 0.156 4.683 4.527 0.001 0.000 0.350 125 F C 1.875 177.673 175.800 -0.004 0.000 1.259 125 F CA -1.440 56.578 58.000 0.031 0.000 1.204 125 F CB 0.708 39.657 39.000 -0.085 0.000 1.556 125 F HN 0.264 8.564 8.300 -0.000 0.000 0.650 126 M N 0.633 120.325 119.600 0.154 0.000 2.460 126 M HA -0.068 4.412 4.480 0.001 0.000 0.263 126 M C 1.607 177.814 176.300 -0.154 0.000 1.071 126 M CA 1.334 56.655 55.300 0.036 0.000 1.096 126 M CB -1.015 31.425 32.600 -0.267 0.000 1.408 126 M HN 0.384 8.674 8.290 -0.000 0.000 0.463 127 R N 1.187 121.472 120.500 -0.359 0.000 2.185 127 R HA -0.101 4.239 4.340 0.001 0.000 0.247 127 R C 2.098 178.186 176.300 -0.354 0.000 1.159 127 R CA 1.656 57.445 56.100 -0.519 0.000 0.988 127 R CB -0.590 29.273 30.300 -0.728 0.000 0.871 127 R HN 0.600 8.870 8.270 -0.000 0.000 0.458 128 R N -0.578 119.649 120.500 -0.455 0.000 2.316 128 R HA -0.079 4.261 4.340 0.001 0.000 0.202 128 R C 0.694 176.673 176.300 -0.534 0.000 1.029 128 R CA 0.834 56.479 56.100 -0.759 0.000 1.018 128 R CB 0.106 29.476 30.300 -1.549 0.000 0.888 128 R HN 0.341 8.611 8.270 -0.000 0.000 0.471 129 Y N -0.301 119.943 120.300 -0.094 0.000 2.467 129 Y HA 0.153 4.704 4.550 0.001 0.000 0.250 129 Y C 0.181 176.129 175.900 0.079 0.000 1.155 129 Y CA -1.040 57.059 58.100 0.000 0.000 1.249 129 Y CB 0.256 38.700 38.460 -0.026 0.000 1.146 129 Y HN -0.044 8.236 8.280 -0.000 0.000 0.524 130 D N -0.191 120.349 120.400 0.234 0.000 2.382 130 D HA 0.026 4.667 4.640 0.001 0.000 0.245 130 D C 1.442 177.908 176.300 0.276 0.000 1.120 130 D CA 0.533 54.718 54.000 0.310 0.000 0.890 130 D CB 1.175 42.270 40.800 0.491 0.000 1.201 130 D HN 0.131 8.501 8.370 -0.000 0.000 0.433 131 S N 2.039 117.865 115.700 0.211 0.000 2.383 131 S HA -0.089 4.382 4.470 0.001 0.000 0.227 131 S C 2.042 176.721 174.600 0.130 0.000 1.026 131 S CA 0.930 59.222 58.200 0.153 0.000 0.981 131 S CB -0.578 62.688 63.200 0.110 0.000 0.818 131 S HN 0.579 8.889 8.310 -0.000 0.000 0.472 132 G N 0.114 108.984 108.800 0.118 0.000 2.414 132 G HA2 -0.120 3.840 3.960 0.001 0.000 0.215 132 G HA3 -0.120 3.840 3.960 0.001 0.000 0.215 132 G C 1.226 176.143 174.900 0.027 0.000 1.188 132 G CA 0.818 45.935 45.100 0.029 0.000 0.783 132 G HN 0.559 8.849 8.290 -0.000 0.000 0.537 133 Y N 0.604 120.984 120.300 0.133 0.000 2.274 133 Y HA -0.092 4.458 4.550 0.001 0.000 0.290 133 Y C 3.046 179.034 175.900 0.147 0.000 1.145 133 Y CA 0.899 59.089 58.100 0.149 0.000 1.203 133 Y CB -0.272 38.310 38.460 0.204 0.000 0.984 133 Y HN 0.050 8.330 8.280 -0.000 0.000 0.533 134 V N -0.357 119.738 119.914 0.301 0.000 2.358 134 V HA -0.316 3.804 4.120 0.001 0.000 0.246 134 V C 2.021 178.175 176.094 0.100 0.000 1.047 134 V CA 1.936 64.366 62.300 0.218 0.000 1.035 134 V CB -0.646 31.293 31.823 0.194 0.000 0.658 134 V HN 0.403 8.593 8.190 -0.000 0.000 0.452 135 Q N -0.416 119.427 119.800 0.071 0.000 2.124 135 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 135 Q C 2.282 178.274 176.000 -0.012 0.000 0.977 135 Q CA 1.491 57.307 55.803 0.021 0.000 0.850 135 Q CB -0.251 28.494 28.738 0.012 0.000 0.901 135 Q HN 0.552 8.822 8.270 -0.000 0.000 0.429 136 L N 0.423 121.637 121.223 -0.015 0.000 1.994 136 L HA -0.242 4.099 4.340 0.001 0.000 0.208 136 L C 2.459 179.269 176.870 -0.099 0.000 1.071 136 L CA 1.262 56.073 54.840 -0.049 0.000 0.745 136 L CB -0.434 41.602 42.059 -0.037 0.000 0.892 136 L HN 0.133 8.363 8.230 -0.000 0.000 0.431 137 K N 0.730 121.048 120.400 -0.137 0.000 2.015 137 K HA -0.290 4.031 4.320 0.001 0.000 0.216 137 K C 1.979 178.463 176.600 -0.193 0.000 1.052 137 K CA 2.119 58.228 56.287 -0.297 0.000 0.937 137 K CB -0.428 31.826 32.500 -0.411 0.000 0.719 137 K HN 0.272 8.522 8.250 -0.000 0.000 0.446 138 E N -0.504 119.634 120.200 -0.103 0.000 2.065 138 E HA -0.297 4.054 4.350 0.001 0.000 0.201 138 E C 1.811 178.357 176.600 -0.091 0.000 1.016 138 E CA 1.613 57.968 56.400 -0.075 0.000 0.818 138 E CB -0.370 29.314 29.700 -0.027 0.000 0.749 138 E HN 0.417 8.777 8.360 -0.000 0.000 0.453 139 A N 1.199 123.972 122.820 -0.077 0.000 1.859 139 A HA -0.231 4.090 4.320 0.001 0.000 0.217 139 A C 2.319 179.835 177.584 -0.112 0.000 1.198 139 A CA 1.883 53.876 52.037 -0.073 0.000 0.629 139 A CB -1.031 17.937 19.000 -0.054 0.000 0.830 139 A HN 0.359 8.509 8.150 -0.000 0.000 0.446 140 L N -0.586 120.554 121.223 -0.138 0.000 2.013 140 L HA -0.250 4.090 4.340 0.001 0.000 0.212 140 L C 2.144 178.844 176.870 -0.284 0.000 1.073 140 L CA 1.708 56.443 54.840 -0.175 0.000 0.753 140 L CB -0.792 41.159 42.059 -0.180 0.000 0.890 140 L HN 0.331 8.561 8.230 -0.000 0.000 0.432 141 D N -0.231 120.003 120.400 -0.277 0.000 2.271 141 D HA -0.159 4.481 4.640 0.001 0.000 0.207 141 D C 1.595 177.642 176.300 -0.423 0.000 0.983 141 D CA 0.961 54.769 54.000 -0.320 0.000 0.878 141 D CB -0.220 40.459 40.800 -0.201 0.000 0.920 141 D HN 0.322 8.692 8.370 -0.000 0.000 0.479 142 N N -0.313 118.204 118.700 -0.305 0.000 2.236 142 N HA -0.032 4.709 4.740 0.001 0.000 0.196 142 N C -0.025 175.437 175.510 -0.080 0.000 1.114 142 N CA 0.075 53.020 53.050 -0.174 0.000 0.859 142 N CB 0.350 38.803 38.487 -0.057 0.000 0.982 142 N HN 0.298 8.678 8.380 -0.000 0.000 0.493 143 H N -1.943 117.109 119.070 -0.030 0.000 3.641 143 H HA -0.147 4.409 4.556 0.001 0.000 0.193 143 H C 1.670 176.986 175.328 -0.020 0.000 1.013 143 H CA 0.739 56.772 56.048 -0.025 0.000 1.212 143 H CB -1.742 28.008 29.762 -0.019 0.000 1.089 143 H HN -0.026 8.254 8.280 -0.000 0.000 0.339 144 V N 1.642 121.589 119.914 0.055 0.000 2.265 144 V HA -0.310 3.811 4.120 0.001 0.000 0.259 144 V C 2.404 178.517 176.094 0.031 0.000 1.084 144 V CA 2.975 65.294 62.300 0.031 0.000 1.076 144 V CB -0.534 31.289 31.823 -0.000 0.000 0.680 144 V HN 0.672 8.862 8.190 -0.000 0.000 0.452 145 I N -2.230 118.353 120.570 0.022 0.000 3.889 145 I HA 0.631 4.802 4.170 0.001 0.000 0.332 145 I C 0.926 177.059 176.117 0.027 0.000 1.493 145 I CA 0.249 61.559 61.300 0.018 0.000 1.158 145 I CB -0.373 37.630 38.000 0.005 0.000 1.117 145 I HN 0.374 8.584 8.210 -0.000 0.000 0.411 146 G N 2.028 110.859 108.800 0.052 0.000 2.633 146 G HA2 -0.261 3.700 3.960 0.001 0.000 0.263 146 G HA3 -0.261 3.700 3.960 0.001 0.000 0.263 146 G C -0.266 174.664 174.900 0.050 0.000 1.310 146 G CA -0.198 44.937 45.100 0.058 0.000 0.914 146 G HN 0.532 8.822 8.290 -0.000 0.000 0.569 147 E N 1.941 122.164 120.200 0.039 0.000 2.383 147 E HA 0.203 4.553 4.350 0.001 0.000 0.257 147 E C -1.900 174.709 176.600 0.015 0.000 1.079 147 E CA -0.840 55.578 56.400 0.029 0.000 0.934 147 E CB 0.381 30.094 29.700 0.022 0.000 0.978 147 E HN 0.166 8.526 8.360 -0.000 0.000 0.462 148 P HA -0.040 4.380 4.420 -0.000 0.000 0.264 148 P C 0.275 177.574 177.300 -0.002 0.000 1.183 148 P CA 0.479 63.577 63.100 -0.003 0.000 0.763 148 P CB 0.581 32.274 31.700 -0.011 0.000 0.807 149 L N 1.594 122.812 121.223 -0.008 0.000 2.641 149 L HA 0.336 4.676 4.340 0.001 0.000 0.207 149 L C 0.836 177.686 176.870 -0.034 0.000 1.049 149 L CA 0.485 55.318 54.840 -0.011 0.000 0.866 149 L CB -0.008 42.050 42.059 -0.002 0.000 1.264 149 L HN 0.323 8.553 8.230 -0.000 0.000 0.483 150 M N -0.134 119.432 119.600 -0.057 0.000 2.631 150 M HA 0.522 5.003 4.480 0.001 0.000 0.288 150 M C -1.449 174.736 176.300 -0.191 0.000 1.260 150 M CA -0.312 54.904 55.300 -0.140 0.000 0.842 150 M CB 3.554 36.045 32.600 -0.182 0.000 1.743 150 M HN -0.159 8.131 8.290 -0.000 0.000 0.461 151 I N 1.214 121.609 120.570 -0.293 0.000 2.534 151 I HA 0.394 4.564 4.170 0.001 0.000 0.288 151 I C -1.170 174.734 176.117 -0.356 0.000 1.077 151 I CA -0.764 60.398 61.300 -0.229 0.000 1.051 151 I CB 1.819 39.766 38.000 -0.088 0.000 1.234 151 I HN 0.629 8.839 8.210 -0.000 0.000 0.425 152 H N 4.972 124.046 119.070 0.006 0.000 2.466 152 H HA 0.634 5.191 4.556 0.001 0.000 0.338 152 H C -0.565 174.773 175.328 0.016 0.000 1.091 152 H CA -0.533 55.519 56.048 0.006 0.000 1.207 152 H CB 2.371 32.135 29.762 0.002 0.000 1.466 152 H HN 0.831 9.111 8.280 -0.000 0.000 0.493 153 C N 1.018 120.392 119.300 0.124 0.000 3.312 153 C HA 0.938 5.398 4.460 0.001 0.000 0.332 153 C C -1.020 174.027 174.990 0.094 0.000 1.340 153 C CA -0.727 58.351 59.018 0.099 0.000 1.265 153 C CB 1.009 28.806 27.740 0.095 0.000 1.563 153 C HN 1.051 9.281 8.230 -0.000 0.000 0.471 154 A N 0.311 123.188 122.820 0.095 0.000 2.574 154 A HA 0.857 5.178 4.320 0.001 0.000 0.297 154 A C -1.504 176.149 177.584 0.114 0.000 1.062 154 A CA -0.227 51.872 52.037 0.103 0.000 0.686 154 A CB 1.176 20.233 19.000 0.094 0.000 1.285 154 A HN 1.555 9.705 8.150 -0.000 0.000 0.403 155 H N 1.192 120.264 119.070 0.004 0.000 3.013 155 H HA 0.614 5.170 4.556 0.001 0.000 0.326 155 H C -0.717 174.545 175.328 -0.109 0.000 0.973 155 H CA -0.576 55.441 56.048 -0.052 0.000 1.369 155 H CB 0.646 30.409 29.762 0.001 0.000 1.598 155 H HN 0.655 8.935 8.280 -0.000 0.000 0.518 156 R N 4.189 124.682 120.500 -0.011 0.000 2.561 156 R HA 0.326 4.666 4.340 0.001 0.000 0.297 156 R C -0.817 175.327 176.300 -0.260 0.000 0.969 156 R CA -0.973 55.041 56.100 -0.143 0.000 0.879 156 R CB 1.990 32.173 30.300 -0.195 0.000 1.178 156 R HN 0.594 8.864 8.270 -0.000 0.000 0.445 157 N N 2.440 121.004 118.700 -0.227 0.000 2.466 157 N HA 0.229 4.970 4.740 0.001 0.000 0.294 157 N C -1.977 173.374 175.510 -0.264 0.000 1.129 157 N CA -1.820 51.150 53.050 -0.134 0.000 0.931 157 N CB 2.431 40.860 38.487 -0.097 0.000 1.193 157 N HN 0.179 8.559 8.380 -0.000 0.000 0.500 158 P HA -0.015 4.405 4.420 -0.000 0.000 0.215 158 P C 0.450 177.644 177.300 -0.177 0.000 1.157 158 P CA 1.293 64.276 63.100 -0.195 0.000 0.859 158 P CB 0.406 32.061 31.700 -0.075 0.000 0.786 159 T N -2.649 111.838 114.554 -0.111 0.000 2.665 159 T HA 0.523 4.874 4.350 0.001 0.000 0.303 159 T C -1.768 172.874 174.700 -0.096 0.000 1.334 159 T CA -0.526 61.513 62.100 -0.102 0.000 1.011 159 T CB 0.756 69.595 68.868 -0.048 0.000 1.573 159 T HN -0.200 8.040 8.240 -0.000 0.000 0.492 160 V N -1.237 118.627 119.914 -0.084 0.000 3.182 160 V HA 1.010 5.130 4.120 0.001 0.000 0.308 160 V C 0.522 176.639 176.094 0.039 0.000 1.240 160 V CA -0.576 61.679 62.300 -0.073 0.000 1.063 160 V CB 1.080 32.737 31.823 -0.277 0.000 1.076 160 V HN 1.144 9.334 8.190 -0.000 0.000 0.446 161 G N -0.378 108.489 108.800 0.111 0.000 2.599 161 G HA2 0.344 4.305 3.960 0.001 0.000 0.264 161 G HA3 0.344 4.305 3.960 0.001 0.000 0.264 161 G C 0.204 175.213 174.900 0.181 0.000 1.200 161 G CA 0.197 45.381 45.100 0.139 0.000 0.896 161 G HN 0.857 9.147 8.290 -0.000 0.000 0.536 162 D N 0.455 120.953 120.400 0.164 0.000 2.218 162 D HA -0.154 4.486 4.640 0.001 0.000 0.204 162 D C 1.742 178.185 176.300 0.238 0.000 0.976 162 D CA 0.934 55.063 54.000 0.216 0.000 0.853 162 D CB 0.078 40.961 40.800 0.139 0.000 0.939 162 D HN 0.507 8.877 8.370 -0.000 0.000 0.481 163 N N 0.380 119.186 118.700 0.178 0.000 2.519 163 N HA -0.188 4.553 4.740 0.001 0.000 0.186 163 N C 0.479 176.099 175.510 0.182 0.000 1.062 163 N CA 0.205 53.339 53.050 0.141 0.000 0.910 163 N CB -0.465 38.095 38.487 0.122 0.000 0.958 163 N HN 0.324 8.704 8.380 -0.000 0.000 0.445 164 Y N 2.629 123.023 120.300 0.156 0.000 2.393 164 Y HA 0.106 4.657 4.550 0.001 0.000 0.338 164 Y C 0.637 176.654 175.900 0.195 0.000 1.029 164 Y CA -0.489 57.687 58.100 0.127 0.000 1.239 164 Y CB 0.652 39.157 38.460 0.075 0.000 1.170 164 Y HN -0.058 8.222 8.280 -0.000 0.000 0.515 165 T N 0.585 115.010 114.554 -0.214 0.000 2.888 165 T HA 0.173 4.523 4.350 0.001 0.000 0.284 165 T C 0.922 175.562 174.700 -0.100 0.000 1.017 165 T CA -0.658 61.423 62.100 -0.032 0.000 1.022 165 T CB 1.549 70.389 68.868 -0.047 0.000 1.013 165 T HN 0.624 8.864 8.240 -0.000 0.000 0.465 166 T N 1.710 116.294 114.554 0.050 0.000 3.003 166 T HA -0.136 4.214 4.350 0.001 0.000 0.270 166 T C 1.431 176.159 174.700 0.047 0.000 1.153 166 T CA 1.837 63.988 62.100 0.085 0.000 1.089 166 T CB -0.398 68.526 68.868 0.094 0.000 0.838 166 T HN 0.891 9.131 8.240 -0.000 0.000 0.562 167 D N -0.162 120.212 120.400 -0.043 0.000 2.380 167 D HA 0.053 4.693 4.640 0.001 0.000 0.212 167 D C 1.920 178.145 176.300 -0.125 0.000 1.021 167 D CA 0.064 54.031 54.000 -0.055 0.000 0.884 167 D CB -0.449 40.316 40.800 -0.058 0.000 1.001 167 D HN 0.338 8.708 8.370 -0.000 0.000 0.506 168 M N 1.119 120.552 119.600 -0.279 0.000 2.195 168 M HA -0.114 4.366 4.480 0.001 0.000 0.260 168 M C 2.437 178.639 176.300 -0.163 0.000 1.066 168 M CA 1.557 56.612 55.300 -0.408 0.000 1.089 168 M CB -0.317 31.669 32.600 -1.023 0.000 1.377 168 M HN 0.134 8.424 8.290 -0.000 0.000 0.411 169 A N 0.506 123.330 122.820 0.006 0.000 1.869 169 A HA -0.193 4.128 4.320 0.001 0.000 0.218 169 A C 2.052 179.638 177.584 0.004 0.000 1.203 169 A CA 2.597 54.716 52.037 0.136 0.000 0.638 169 A CB -1.250 17.831 19.000 0.135 0.000 0.831 169 A HN 0.468 8.618 8.150 -0.000 0.000 0.450 170 V N -3.171 116.723 119.914 -0.032 0.000 3.541 170 V HA 0.068 4.189 4.120 0.001 0.000 0.267 170 V C 1.817 177.869 176.094 -0.071 0.000 1.213 170 V CA 1.244 63.509 62.300 -0.058 0.000 1.149 170 V CB -0.353 31.433 31.823 -0.062 0.000 0.822 170 V HN 0.220 8.410 8.190 -0.000 0.000 0.462 171 V N 0.021 119.887 119.914 -0.080 0.000 2.627 171 V HA 0.087 4.207 4.120 0.001 0.000 0.239 171 V C 2.173 178.212 176.094 -0.092 0.000 1.077 171 V CA 1.530 63.773 62.300 -0.095 0.000 1.103 171 V CB -0.224 31.527 31.823 -0.119 0.000 0.802 171 V HN 0.402 8.592 8.190 -0.000 0.000 0.482 172 D N -0.199 120.149 120.400 -0.085 0.000 2.240 172 D HA -0.019 4.622 4.640 0.001 0.000 0.206 172 D C 2.033 178.326 176.300 -0.012 0.000 0.963 172 D CA 1.395 55.362 54.000 -0.055 0.000 0.863 172 D CB 0.452 41.227 40.800 -0.041 0.000 0.973 172 D HN 0.354 8.724 8.370 -0.000 0.000 0.501 173 T N 0.652 115.196 114.554 -0.017 0.000 3.053 173 T HA 0.041 4.391 4.350 0.001 0.000 0.236 173 T C 1.682 176.332 174.700 -0.083 0.000 0.996 173 T CA -0.116 61.935 62.100 -0.081 0.000 1.185 173 T CB 0.074 68.834 68.868 -0.179 0.000 0.892 173 T HN -0.052 8.188 8.240 -0.000 0.000 0.432 174 L N 2.331 123.507 121.223 -0.079 0.000 2.622 174 L HA 0.198 4.539 4.340 0.001 0.000 0.233 174 L C 2.165 179.028 176.870 -0.013 0.000 1.156 174 L CA 0.595 55.424 54.840 -0.019 0.000 0.866 174 L CB -0.406 41.623 42.059 -0.049 0.000 0.980 174 L HN 0.107 8.337 8.230 -0.000 0.000 0.448 175 V N -0.747 119.131 119.914 -0.060 0.000 2.392 175 V HA -0.316 3.805 4.120 0.001 0.000 0.249 175 V C 2.446 178.391 176.094 -0.248 0.000 1.059 175 V CA 2.050 64.262 62.300 -0.148 0.000 1.051 175 V CB -0.613 31.124 31.823 -0.144 0.000 0.658 175 V HN 0.643 8.833 8.190 -0.000 0.000 0.455 176 H N 0.079 119.135 119.070 -0.022 0.000 2.353 176 H HA -0.142 4.415 4.556 0.001 0.000 0.300 176 H C 2.355 177.583 175.328 -0.165 0.000 1.090 176 H CA 2.179 58.163 56.048 -0.107 0.000 1.327 176 H CB -0.151 29.607 29.762 -0.007 0.000 1.383 176 H HN 0.534 8.814 8.280 -0.000 0.000 0.508 177 E N 0.775 121.025 120.200 0.084 0.000 2.051 177 E HA -0.102 4.249 4.350 0.001 0.000 0.192 177 E C 2.466 179.077 176.600 0.018 0.000 0.991 177 E CA 0.675 57.110 56.400 0.058 0.000 0.799 177 E CB -0.367 29.395 29.700 0.102 0.000 0.748 177 E HN 0.400 8.760 8.360 -0.000 0.000 0.449 178 I N 0.963 121.522 120.570 -0.019 0.000 2.315 178 I HA -0.313 3.858 4.170 0.001 0.000 0.251 178 I C 2.031 178.207 176.117 0.097 0.000 1.125 178 I CA 1.531 62.865 61.300 0.057 0.000 1.392 178 I CB -0.250 37.736 38.000 -0.023 0.000 1.065 178 I HN 0.149 8.359 8.210 -0.000 0.000 0.424 179 D N 0.224 120.480 120.400 -0.239 0.000 2.106 179 D HA -0.145 4.496 4.640 0.001 0.000 0.203 179 D C 2.166 178.363 176.300 -0.172 0.000 0.977 179 D CA 0.990 54.767 54.000 -0.370 0.000 0.844 179 D CB -0.013 40.086 40.800 -1.169 0.000 1.002 179 D HN 0.042 8.412 8.370 -0.000 0.000 0.461 180 V N 0.350 120.165 119.914 -0.165 0.000 2.427 180 V HA -0.138 3.982 4.120 0.001 0.000 0.248 180 V C 2.379 178.534 176.094 0.101 0.000 1.051 180 V CA 1.257 63.535 62.300 -0.037 0.000 1.048 180 V CB -0.416 31.261 31.823 -0.243 0.000 0.666 180 V HN 0.289 8.479 8.190 -0.000 0.000 0.456 181 L N 0.321 121.618 121.223 0.123 0.000 1.955 181 L HA -0.239 4.102 4.340 0.001 0.000 0.213 181 L C 2.627 179.594 176.870 0.163 0.000 1.072 181 L CA 2.576 57.522 54.840 0.177 0.000 0.755 181 L CB -1.098 41.091 42.059 0.217 0.000 0.888 181 L HN 0.717 8.947 8.230 -0.000 0.000 0.432 182 H N -2.059 117.119 119.070 0.181 0.000 2.421 182 H HA -0.270 4.287 4.556 0.001 0.000 0.298 182 H C 1.960 177.302 175.328 0.024 0.000 1.087 182 H CA 1.448 57.482 56.048 -0.023 0.000 1.330 182 H CB -0.714 28.748 29.762 -0.500 0.000 1.388 182 H HN 0.453 8.733 8.280 -0.000 0.000 0.526 183 W N 1.640 122.396 121.300 -0.907 0.000 2.302 183 W HA -0.243 4.418 4.660 0.001 0.000 0.320 183 W C 1.860 178.220 176.519 -0.265 0.000 1.241 183 W CA 2.197 59.167 57.345 -0.625 0.000 1.264 183 W CB -0.836 28.356 29.460 -0.445 0.000 1.154 183 W HN 0.312 8.492 8.180 -0.000 0.000 0.483 184 L N 0.194 121.168 121.223 -0.414 0.000 1.994 184 L HA -0.237 4.104 4.340 0.001 0.000 0.208 184 L C 2.442 179.099 176.870 -0.354 0.000 1.071 184 L CA 2.155 56.672 54.840 -0.539 0.000 0.745 184 L CB -1.246 40.681 42.059 -0.220 0.000 0.892 184 L HN 0.046 8.276 8.230 -0.000 0.000 0.431 185 V N -3.789 116.023 119.914 -0.170 0.000 3.306 185 V HA 0.047 4.167 4.120 0.001 0.000 0.264 185 V C 0.883 176.932 176.094 -0.075 0.000 1.149 185 V CA 0.555 62.799 62.300 -0.093 0.000 1.143 185 V CB -1.058 30.761 31.823 -0.008 0.000 0.767 185 V HN 0.728 8.918 8.190 -0.000 0.000 0.476 186 N N 1.217 119.864 118.700 -0.089 0.000 2.696 186 N HA -0.197 4.544 4.740 0.001 0.000 0.256 186 N C -0.783 174.746 175.510 0.031 0.000 1.031 186 N CA 1.201 54.239 53.050 -0.020 0.000 0.730 186 N CB -1.486 36.972 38.487 -0.048 0.000 0.894 186 N HN 0.863 9.243 8.380 -0.000 0.000 0.544 187 D N -0.416 120.019 120.400 0.059 0.000 2.570 187 D HA 0.415 5.056 4.640 0.001 0.000 0.244 187 D C -1.134 175.153 176.300 -0.022 0.000 1.178 187 D CA -0.400 53.624 54.000 0.041 0.000 0.881 187 D CB 1.146 41.978 40.800 0.053 0.000 1.453 187 D HN 0.137 8.507 8.370 -0.000 0.000 0.447 188 D N 0.509 120.874 120.400 -0.059 0.000 2.217 188 D HA 0.180 4.820 4.640 0.001 0.000 0.248 188 D C -0.380 175.873 176.300 -0.077 0.000 1.008 188 D CA -0.279 53.600 54.000 -0.202 0.000 0.914 188 D CB 0.890 41.621 40.800 -0.115 0.000 1.182 188 D HN 0.271 8.641 8.370 -0.000 0.000 0.451 189 Y N 1.319 121.563 120.300 -0.093 0.000 2.480 189 Y HA 0.059 4.609 4.550 0.001 0.000 0.341 189 Y C 1.488 177.348 175.900 -0.066 0.000 1.031 189 Y CA -0.392 57.661 58.100 -0.079 0.000 1.295 189 Y CB 0.534 38.928 38.460 -0.110 0.000 1.162 189 Y HN 0.502 8.782 8.280 -0.000 0.000 0.523 190 E N 2.365 122.638 120.200 0.121 0.000 2.011 190 E HA -0.008 4.342 4.350 0.001 0.000 0.191 190 E C 0.041 176.658 176.600 0.029 0.000 0.979 190 E CA 0.939 57.371 56.400 0.053 0.000 0.822 190 E CB 0.246 29.969 29.700 0.038 0.000 0.782 190 E HN 0.611 8.971 8.360 -0.000 0.000 0.459 191 S N -0.210 115.495 115.700 0.009 0.000 2.638 191 S HA 0.619 5.090 4.470 0.001 0.000 0.302 191 S C -0.284 174.284 174.600 -0.054 0.000 1.096 191 S CA -0.507 57.682 58.200 -0.018 0.000 0.953 191 S CB 1.909 65.098 63.200 -0.018 0.000 1.107 191 S HN 0.311 8.621 8.310 -0.000 0.000 0.503 192 V N -1.457 118.419 119.914 -0.063 0.000 3.155 192 V HA 0.897 5.018 4.120 0.001 0.000 0.313 192 V C -1.010 175.043 176.094 -0.070 0.000 1.162 192 V CA -0.751 61.494 62.300 -0.092 0.000 1.048 192 V CB 1.288 33.045 31.823 -0.110 0.000 1.092 192 V HN 1.249 9.439 8.190 -0.000 0.000 0.447 193 Q N 0.233 119.985 119.800 -0.079 0.000 2.617 193 Q HA 0.649 4.989 4.340 0.001 0.000 0.270 193 Q C -2.615 173.333 176.000 -0.086 0.000 0.967 193 Q CA -0.527 55.238 55.803 -0.063 0.000 0.887 193 Q CB 2.658 31.366 28.738 -0.049 0.000 1.516 193 Q HN 0.840 9.110 8.270 -0.000 0.000 0.395 194 V N 4.242 124.106 119.914 -0.083 0.000 2.656 194 V HA 0.637 4.758 4.120 0.001 0.000 0.307 194 V C -0.654 175.350 176.094 -0.150 0.000 1.051 194 V CA -0.527 61.677 62.300 -0.159 0.000 0.893 194 V CB 1.960 33.667 31.823 -0.194 0.000 0.999 194 V HN 0.677 8.867 8.190 -0.000 0.000 0.426 195 I N 4.285 124.721 120.570 -0.222 0.000 2.499 195 I HA 0.432 4.603 4.170 0.001 0.000 0.288 195 I C -1.450 174.545 176.117 -0.204 0.000 1.048 195 I CA -0.605 60.621 61.300 -0.123 0.000 1.062 195 I CB 1.978 39.939 38.000 -0.066 0.000 1.238 195 I HN 0.500 8.710 8.210 -0.000 0.000 0.426 196 Y N 6.330 126.615 120.300 -0.025 0.000 2.404 196 Y HA 0.414 4.965 4.550 0.001 0.000 0.344 196 Y C -1.971 173.906 175.900 -0.038 0.000 0.970 196 Y CA -1.867 56.216 58.100 -0.030 0.000 1.180 196 Y CB 0.588 39.034 38.460 -0.024 0.000 1.138 196 Y HN 0.381 8.661 8.280 -0.000 0.000 0.510 197 P HA 0.116 4.536 4.420 -0.000 0.000 0.277 197 P C -0.857 176.453 177.300 0.016 0.000 1.271 197 P CA -1.096 62.010 63.100 0.010 0.000 0.795 197 P CB 0.640 32.309 31.700 -0.052 0.000 1.101 198 K N 1.395 121.789 120.400 -0.009 0.000 2.365 198 K HA -0.133 4.187 4.320 0.001 0.000 0.268 198 K C 0.237 176.820 176.600 -0.028 0.000 1.173 198 K CA 0.225 56.503 56.287 -0.015 0.000 1.204 198 K CB -0.329 32.158 32.500 -0.022 0.000 0.832 198 K HN 0.236 8.486 8.250 -0.000 0.000 0.481 199 K N 2.572 122.967 120.400 -0.009 0.000 2.591 199 K HA -0.131 4.190 4.320 0.001 0.000 0.280 199 K C -0.384 176.204 176.600 -0.020 0.000 0.964 199 K CA 0.433 56.714 56.287 -0.009 0.000 1.014 199 K CB 0.473 32.972 32.500 -0.002 0.000 0.877 199 K HN 0.564 8.814 8.250 -0.000 0.000 0.502 200 S N 1.821 117.513 115.700 -0.014 0.000 2.541 200 S HA 0.162 4.632 4.470 0.001 0.000 0.283 200 S C 0.826 175.455 174.600 0.047 0.000 1.196 200 S CA -0.594 57.613 58.200 0.012 0.000 1.062 200 S CB 0.973 64.199 63.200 0.044 0.000 1.009 200 S HN 0.696 9.006 8.310 -0.000 0.000 0.502 201 K N 3.471 123.901 120.400 0.049 0.000 2.211 201 K HA -0.088 4.232 4.320 0.001 0.000 0.204 201 K C 0.778 177.410 176.600 0.053 0.000 1.047 201 K CA 1.565 57.878 56.287 0.045 0.000 0.935 201 K CB -0.313 32.212 32.500 0.042 0.000 0.728 201 K HN 0.435 8.685 8.250 -0.000 0.000 0.452 202 N N 0.916 119.665 118.700 0.081 0.000 2.461 202 N HA 0.057 4.797 4.740 0.001 0.000 0.188 202 N C -0.153 175.388 175.510 0.052 0.000 1.134 202 N CA 0.678 53.769 53.050 0.068 0.000 0.878 202 N CB 0.418 38.952 38.487 0.079 0.000 0.972 202 N HN 0.366 8.746 8.380 -0.000 0.000 0.456 203 A N 0.630 123.484 122.820 0.056 0.000 2.312 203 A HA 0.571 4.892 4.320 0.001 0.000 0.326 203 A C 0.210 177.786 177.584 -0.014 0.000 1.172 203 A CA -0.604 51.446 52.037 0.022 0.000 0.821 203 A CB 0.715 19.740 19.000 0.042 0.000 1.166 203 A HN 0.139 8.289 8.150 -0.000 0.000 0.493 204 L N 2.410 123.598 121.223 -0.059 0.000 2.467 204 L HA 0.188 4.529 4.340 0.001 0.000 0.270 204 L C -1.421 175.373 176.870 -0.127 0.000 1.205 204 L CA -1.419 53.377 54.840 -0.073 0.000 0.828 204 L CB 0.460 42.483 42.059 -0.061 0.000 1.101 204 L HN 0.524 8.754 8.230 -0.000 0.000 0.479 205 P HA -0.130 4.290 4.420 -0.000 0.000 0.223 205 P C 0.867 178.164 177.300 -0.005 0.000 1.151 205 P CA 1.113 64.206 63.100 -0.012 0.000 0.787 205 P CB -0.089 31.629 31.700 0.030 0.000 0.788 206 H N -2.040 117.048 119.070 0.030 0.000 2.553 206 H HA 0.280 4.837 4.556 0.001 0.000 0.269 206 H C 0.182 175.532 175.328 0.037 0.000 1.011 206 H CA -0.285 55.778 56.048 0.025 0.000 1.150 206 H CB -0.666 29.112 29.762 0.026 0.000 1.339 206 H HN 0.033 8.313 8.280 -0.000 0.000 0.604 207 L N 0.587 121.655 121.223 -0.258 0.000 2.410 207 L HA 0.403 4.743 4.340 0.001 0.000 0.270 207 L C -1.255 175.602 176.870 -0.022 0.000 0.983 207 L CA -1.132 53.624 54.840 -0.140 0.000 0.822 207 L CB 2.162 44.078 42.059 -0.238 0.000 1.285 207 L HN 0.060 8.290 8.230 -0.000 0.000 0.409 208 K N 3.719 124.155 120.400 0.061 0.000 2.231 208 K HA 0.364 4.685 4.320 0.001 0.000 0.275 208 K C -1.273 175.440 176.600 0.188 0.000 1.105 208 K CA -0.344 56.015 56.287 0.120 0.000 0.931 208 K CB 0.483 33.071 32.500 0.147 0.000 1.296 208 K HN 0.482 8.732 8.250 -0.000 0.000 0.446 209 D N 3.530 124.004 120.400 0.122 0.000 2.863 209 D HA 0.339 4.980 4.640 0.001 0.000 0.245 209 D C -2.631 173.676 176.300 0.012 0.000 1.211 209 D CA -2.096 51.975 54.000 0.117 0.000 0.888 209 D CB 2.084 42.976 40.800 0.155 0.000 1.483 209 D HN 0.082 8.452 8.370 -0.000 0.000 0.533 210 P HA 0.355 4.775 4.420 -0.000 0.000 0.289 210 P C -1.014 176.270 177.300 -0.027 0.000 1.299 210 P CA -0.422 62.629 63.100 -0.081 0.000 0.766 210 P CB 0.699 32.224 31.700 -0.292 0.000 1.226 211 Q N -0.881 118.876 119.800 -0.071 0.000 2.456 211 Q HA 0.632 4.973 4.340 0.001 0.000 0.284 211 Q C -1.040 174.860 176.000 -0.167 0.000 1.061 211 Q CA -0.654 55.023 55.803 -0.211 0.000 0.799 211 Q CB 2.267 30.835 28.738 -0.283 0.000 1.445 211 Q HN 0.278 8.548 8.270 -0.000 0.000 0.411 212 I N 1.257 121.700 120.570 -0.211 0.000 2.569 212 I HA 0.538 4.709 4.170 0.001 0.000 0.296 212 I C -0.926 175.096 176.117 -0.158 0.000 1.028 212 I CA -1.153 60.067 61.300 -0.134 0.000 1.082 212 I CB 2.188 40.132 38.000 -0.094 0.000 1.264 212 I HN 0.275 8.485 8.210 -0.000 0.000 0.429 213 V N 6.440 126.283 119.914 -0.118 0.000 2.409 213 V HA 0.311 4.431 4.120 0.001 0.000 0.290 213 V C -0.106 175.921 176.094 -0.113 0.000 1.017 213 V CA -0.623 61.600 62.300 -0.128 0.000 0.841 213 V CB 2.071 33.815 31.823 -0.132 0.000 1.003 213 V HN 0.388 8.578 8.190 -0.000 0.000 0.426 214 V N 6.629 126.479 119.914 -0.106 0.000 2.567 214 V HA 0.552 4.673 4.120 0.001 0.000 0.289 214 V C -0.074 175.945 176.094 -0.125 0.000 1.049 214 V CA -0.320 61.921 62.300 -0.099 0.000 0.969 214 V CB 1.677 33.456 31.823 -0.072 0.000 0.995 214 V HN 0.667 8.857 8.190 -0.000 0.000 0.471 215 I N 3.299 123.782 120.570 -0.144 0.000 2.607 215 I HA 0.456 4.627 4.170 0.001 0.000 0.290 215 I C -0.403 175.638 176.117 -0.125 0.000 1.129 215 I CA -0.488 60.701 61.300 -0.185 0.000 1.042 215 I CB 2.458 40.245 38.000 -0.355 0.000 1.242 215 I HN 0.606 8.816 8.210 -0.000 0.000 0.421 216 E N 3.395 123.551 120.200 -0.073 0.000 2.202 216 E HA 0.504 4.855 4.350 0.001 0.000 0.272 216 E C -0.601 176.025 176.600 0.044 0.000 0.951 216 E CA -0.666 55.723 56.400 -0.019 0.000 0.813 216 E CB 2.421 32.115 29.700 -0.011 0.000 1.151 216 E HN 0.652 9.012 8.360 -0.000 0.000 0.398 217 T N -1.364 113.234 114.554 0.074 0.000 2.923 217 T HA 0.266 4.617 4.350 0.001 0.000 0.281 217 T C 1.039 175.781 174.700 0.071 0.000 0.995 217 T CA -0.798 61.380 62.100 0.130 0.000 0.985 217 T CB 1.622 70.577 68.868 0.145 0.000 1.114 217 T HN 0.385 8.625 8.240 -0.000 0.000 0.548 218 K N 0.235 120.672 120.400 0.061 0.000 2.032 218 K HA -0.065 4.255 4.320 0.001 0.000 0.209 218 K C 2.398 179.017 176.600 0.032 0.000 1.048 218 K CA 1.628 57.938 56.287 0.039 0.000 0.927 218 K CB -1.028 31.491 32.500 0.032 0.000 0.712 218 K HN 0.794 9.044 8.250 -0.000 0.000 0.441 219 G N -0.883 107.938 108.800 0.035 0.000 2.443 219 G HA2 -0.075 3.886 3.960 0.001 0.000 0.219 219 G HA3 -0.075 3.886 3.960 0.001 0.000 0.219 219 G C 0.885 175.798 174.900 0.021 0.000 1.131 219 G CA 0.982 46.098 45.100 0.027 0.000 0.775 219 G HN 0.554 8.844 8.290 -0.000 0.000 0.547 220 G N -0.882 107.932 108.800 0.023 0.000 2.198 220 G HA2 -0.167 3.794 3.960 0.001 0.000 0.156 220 G HA3 -0.167 3.794 3.960 0.001 0.000 0.156 220 G C 0.217 175.121 174.900 0.008 0.000 1.012 220 G CA -0.215 44.893 45.100 0.013 0.000 0.692 220 G HN 0.377 8.667 8.290 -0.000 0.000 0.492 221 I N 1.490 122.069 120.570 0.015 0.000 2.529 221 I HA 0.404 4.575 4.170 0.001 0.000 0.284 221 I C 0.503 176.612 176.117 -0.013 0.000 1.082 221 I CA -0.572 60.730 61.300 0.003 0.000 1.406 221 I CB 1.437 39.449 38.000 0.019 0.000 1.405 221 I HN -0.128 8.082 8.210 -0.000 0.000 0.548 222 V N 7.392 127.280 119.914 -0.044 0.000 2.555 222 V HA 0.501 4.621 4.120 0.001 0.000 0.302 222 V C -0.094 175.931 176.094 -0.116 0.000 1.038 222 V CA -0.555 61.704 62.300 -0.068 0.000 0.887 222 V CB 1.979 33.766 31.823 -0.061 0.000 0.991 222 V HN 0.460 8.650 8.190 -0.000 0.000 0.434 223 I N 5.113 125.611 120.570 -0.119 0.000 2.465 223 I HA 0.490 4.660 4.170 0.001 0.000 0.291 223 I C -0.580 175.462 176.117 -0.125 0.000 1.014 223 I CA -0.519 60.697 61.300 -0.140 0.000 1.093 223 I CB 2.003 39.924 38.000 -0.132 0.000 1.267 223 I HN 0.747 8.957 8.210 -0.000 0.000 0.431 224 N N 5.495 124.127 118.700 -0.114 0.000 2.314 224 N HA 0.694 5.434 4.740 0.001 0.000 0.294 224 N C -1.263 174.239 175.510 -0.013 0.000 1.029 224 N CA -0.687 52.334 53.050 -0.048 0.000 0.845 224 N CB 2.783 41.272 38.487 0.002 0.000 1.321 224 N HN 0.566 8.946 8.380 -0.000 0.000 0.481 225 A N 1.653 124.458 122.820 -0.024 0.000 2.323 225 A HA 0.252 4.573 4.320 0.001 0.000 0.305 225 A C -0.019 177.571 177.584 0.009 0.000 1.275 225 A CA -0.753 51.285 52.037 0.001 0.000 0.804 225 A CB 0.583 19.569 19.000 -0.023 0.000 1.152 225 A HN 0.800 8.950 8.150 -0.000 0.000 0.487 226 E N 2.657 122.882 120.200 0.042 0.000 2.373 226 E HA 0.443 4.793 4.350 0.001 0.000 0.267 226 E C -0.991 175.648 176.600 0.066 0.000 1.032 226 E CA -0.086 56.341 56.400 0.044 0.000 0.889 226 E CB 0.555 30.297 29.700 0.070 0.000 0.984 226 E HN 0.607 8.967 8.360 -0.000 0.000 0.425 227 I N 4.921 125.523 120.570 0.053 0.000 2.468 227 I HA 0.214 4.384 4.170 0.001 0.000 0.285 227 I C -1.442 174.757 176.117 0.138 0.000 1.039 227 I CA -0.928 60.410 61.300 0.062 0.000 1.074 227 I CB 1.311 39.310 38.000 -0.002 0.000 1.228 227 I HN 0.514 8.724 8.210 -0.000 0.000 0.436 228 Y N 7.350 127.627 120.300 -0.038 0.000 2.301 228 Y HA 0.341 4.892 4.550 0.001 0.000 0.325 228 Y C -0.079 175.769 175.900 -0.087 0.000 1.103 228 Y CA -1.335 56.737 58.100 -0.047 0.000 1.182 228 Y CB 1.599 40.048 38.460 -0.018 0.000 1.139 228 Y HN 0.314 8.594 8.280 -0.000 0.000 0.443 229 V N 1.595 121.469 119.914 -0.068 0.000 3.542 229 V HA 0.404 4.524 4.120 0.001 0.000 0.296 229 V C -0.155 175.738 176.094 -0.335 0.000 1.364 229 V CA 0.555 62.691 62.300 -0.273 0.000 1.118 229 V CB -0.013 31.582 31.823 -0.381 0.000 0.972 229 V HN 0.738 8.928 8.190 -0.000 0.000 0.430 230 N N 0.664 119.101 118.700 -0.438 0.000 2.599 230 N HA 0.197 4.938 4.740 0.001 0.000 0.309 230 N C 0.970 176.121 175.510 -0.597 0.000 1.743 230 N CA 0.622 53.473 53.050 -0.331 0.000 0.918 230 N CB 1.022 39.493 38.487 -0.027 0.000 1.339 230 N HN 0.773 9.153 8.380 -0.000 0.000 0.493 231 C N -0.484 118.207 119.300 -1.015 0.000 2.562 231 C HA 0.281 4.742 4.460 0.001 0.000 0.266 231 C C 1.719 176.516 174.990 -0.321 0.000 1.382 231 C CA -0.005 58.453 59.018 -0.933 0.000 1.742 231 C CB -0.779 26.383 27.740 -0.964 0.000 1.812 231 C HN 0.671 8.901 8.230 -0.000 0.000 0.559 232 K N -0.521 119.710 120.400 -0.283 0.000 3.658 232 K HA -0.390 3.931 4.320 0.001 0.000 0.372 232 K C 1.133 177.700 176.600 -0.054 0.000 0.598 232 K CA 2.213 58.437 56.287 -0.105 0.000 1.635 232 K CB -2.042 30.458 32.500 -0.001 0.000 1.178 232 K HN 0.770 9.020 8.250 -0.000 0.000 0.470 233 Y N -1.105 119.169 120.300 -0.044 0.000 2.286 233 Y HA 0.374 4.925 4.550 0.001 0.000 0.293 233 Y C 0.965 176.858 175.900 -0.011 0.000 1.124 233 Y CA 1.213 59.301 58.100 -0.020 0.000 1.178 233 Y CB -0.043 38.409 38.460 -0.013 0.000 1.010 233 Y HN 0.256 8.536 8.280 -0.000 0.000 0.536 234 G N -1.123 107.381 108.800 -0.493 0.000 2.427 234 G HA2 0.266 4.227 3.960 0.001 0.000 0.306 234 G HA3 0.266 4.227 3.960 0.001 0.000 0.306 234 G C -2.407 172.327 174.900 -0.276 0.000 1.280 234 G CA -0.703 44.271 45.100 -0.210 0.000 0.837 234 G HN 0.271 8.561 8.290 -0.000 0.000 0.482 235 Y N 1.381 121.590 120.300 -0.152 0.000 2.335 235 Y HA 0.691 5.241 4.550 0.001 0.000 0.338 235 Y C -1.277 174.593 175.900 -0.050 0.000 0.977 235 Y CA -0.913 57.132 58.100 -0.092 0.000 1.114 235 Y CB 2.118 40.587 38.460 0.015 0.000 1.182 235 Y HN 0.513 8.793 8.280 -0.000 0.000 0.463 236 D N 6.468 126.608 120.400 -0.433 0.000 2.931 236 D HA 0.320 4.960 4.640 0.001 0.000 0.215 236 D C -1.807 174.333 176.300 -0.266 0.000 1.297 236 D CA -0.286 53.608 54.000 -0.177 0.000 0.892 236 D CB 1.454 42.291 40.800 0.062 0.000 1.642 236 D HN 0.426 8.796 8.370 -0.000 0.000 0.560 237 I N 2.902 123.365 120.570 -0.178 0.000 2.433 237 I HA 0.420 4.591 4.170 0.001 0.000 0.292 237 I C -0.226 175.877 176.117 -0.024 0.000 1.001 237 I CA -0.598 60.624 61.300 -0.130 0.000 1.119 237 I CB 1.649 39.631 38.000 -0.030 0.000 1.289 237 I HN 0.351 8.561 8.210 -0.000 0.000 0.438 238 Q N 4.147 123.954 119.800 0.011 0.000 2.315 238 Q HA 0.440 4.780 4.340 0.001 0.000 0.273 238 Q C -1.401 174.622 176.000 0.037 0.000 1.053 238 Q CA -0.326 55.485 55.803 0.014 0.000 0.817 238 Q CB 3.290 32.044 28.738 0.026 0.000 1.326 238 Q HN 0.775 9.045 8.270 -0.000 0.000 0.423 239 C N 2.150 121.455 119.300 0.007 0.000 2.716 239 C HA 0.544 5.004 4.460 0.001 0.000 0.366 239 C C -1.123 173.874 174.990 0.013 0.000 1.073 239 C CA -0.229 58.808 59.018 0.031 0.000 1.260 239 C CB 1.207 28.976 27.740 0.048 0.000 1.755 239 C HN 0.986 9.216 8.230 -0.000 0.000 0.475 240 E N 5.327 125.561 120.200 0.057 0.000 2.199 240 E HA 0.626 4.977 4.350 0.001 0.000 0.265 240 E C -1.261 175.381 176.600 0.069 0.000 0.882 240 E CA -0.534 55.903 56.400 0.062 0.000 0.759 240 E CB 1.167 30.924 29.700 0.095 0.000 1.148 240 E HN 0.770 9.130 8.360 -0.000 0.000 0.412 241 I N 5.054 125.645 120.570 0.034 0.000 2.330 241 I HA 0.212 4.383 4.170 0.001 0.000 0.286 241 I C -0.469 175.663 176.117 0.024 0.000 1.025 241 I CA -0.946 60.364 61.300 0.016 0.000 1.197 241 I CB 1.521 39.518 38.000 -0.004 0.000 1.358 241 I HN 0.308 8.518 8.210 -0.000 0.000 0.467 242 V N 5.984 125.919 119.914 0.034 0.000 2.488 242 V HA 0.492 4.612 4.120 0.001 0.000 0.277 242 V C 0.889 176.992 176.094 0.016 0.000 1.046 242 V CA -0.198 62.127 62.300 0.041 0.000 0.986 242 V CB 0.889 32.758 31.823 0.076 0.000 0.989 242 V HN 0.881 9.071 8.190 -0.000 0.000 0.475 243 G N 2.650 111.459 108.800 0.015 0.000 2.820 243 G HA2 0.453 4.414 3.960 0.001 0.000 0.291 243 G HA3 0.453 4.414 3.960 0.001 0.000 0.291 243 G C 0.360 175.268 174.900 0.013 0.000 1.323 243 G CA -0.349 44.757 45.100 0.010 0.000 1.055 243 G HN 0.643 8.933 8.290 -0.000 0.000 0.520 244 E N -0.763 119.445 120.200 0.013 0.000 2.051 244 E HA -0.111 4.239 4.350 0.001 0.000 0.192 244 E C 0.698 177.305 176.600 0.012 0.000 0.991 244 E CA 1.467 57.875 56.400 0.013 0.000 0.799 244 E CB 0.207 29.915 29.700 0.012 0.000 0.748 244 E HN 0.370 8.730 8.360 -0.000 0.000 0.449 245 D N -1.534 118.874 120.400 0.013 0.000 2.500 245 D HA 0.221 4.862 4.640 0.001 0.000 0.217 245 D C 0.046 176.352 176.300 0.011 0.000 1.159 245 D CA 0.239 54.246 54.000 0.011 0.000 0.828 245 D CB 1.509 42.316 40.800 0.011 0.000 1.039 245 D HN 0.139 8.509 8.370 -0.000 0.000 0.512 246 G N -0.103 108.705 108.800 0.012 0.000 2.576 246 G HA2 0.555 4.516 3.960 0.001 0.000 0.290 246 G HA3 0.555 4.516 3.960 0.001 0.000 0.290 246 G C -1.653 173.254 174.900 0.011 0.000 1.442 246 G CA -0.658 44.448 45.100 0.010 0.000 0.792 246 G HN -0.035 8.255 8.290 -0.000 0.000 0.491 247 I N 1.422 121.997 120.570 0.009 0.000 2.465 247 I HA 0.474 4.645 4.170 0.001 0.000 0.291 247 I C -0.116 176.002 176.117 0.002 0.000 1.014 247 I CA -0.818 60.489 61.300 0.011 0.000 1.093 247 I CB 1.826 39.836 38.000 0.017 0.000 1.267 247 I HN 0.565 8.775 8.210 -0.000 0.000 0.431 248 I N 2.829 123.397 120.570 -0.002 0.000 2.693 248 I HA 0.713 4.883 4.170 0.001 0.000 0.303 248 I C -1.010 175.096 176.117 -0.017 0.000 1.025 248 I CA -0.763 60.529 61.300 -0.015 0.000 1.086 248 I CB 2.303 40.288 38.000 -0.025 0.000 1.268 248 I HN 0.600 8.810 8.210 -0.000 0.000 0.440 249 K N 4.232 124.614 120.400 -0.030 0.000 2.543 249 K HA 0.454 4.774 4.320 0.001 0.000 0.255 249 K C -1.692 174.867 176.600 -0.069 0.000 0.934 249 K CA -0.749 55.516 56.287 -0.038 0.000 0.810 249 K CB 2.584 35.071 32.500 -0.022 0.000 1.315 249 K HN 0.709 8.959 8.250 -0.000 0.000 0.433 250 L N 4.601 125.759 121.223 -0.108 0.000 2.485 250 L HA 0.270 4.611 4.340 0.001 0.000 0.275 250 L C -2.256 174.554 176.870 -0.101 0.000 1.207 250 L CA -0.521 54.221 54.840 -0.163 0.000 0.855 250 L CB 0.142 42.043 42.059 -0.263 0.000 1.114 250 L HN 0.616 8.846 8.230 -0.000 0.000 0.485 251 P HA 0.199 4.619 4.420 -0.000 0.000 0.276 251 P C -1.137 176.130 177.300 -0.054 0.000 1.261 251 P CA -0.539 62.526 63.100 -0.057 0.000 0.800 251 P CB 0.451 32.125 31.700 -0.044 0.000 1.066 252 E N 0.786 120.960 120.200 -0.044 0.000 2.349 252 E HA 0.247 4.597 4.350 0.001 0.000 0.262 252 E C -2.014 174.563 176.600 -0.038 0.000 1.088 252 E CA -1.560 54.816 56.400 -0.040 0.000 0.899 252 E CB -0.836 28.839 29.700 -0.041 0.000 1.044 252 E HN 0.327 8.687 8.360 -0.000 0.000 0.420 253 P HA -0.017 4.403 4.420 -0.000 0.000 0.265 253 P C -0.197 177.085 177.300 -0.030 0.000 1.193 253 P CA 0.222 63.299 63.100 -0.039 0.000 0.765 253 P CB 0.437 32.111 31.700 -0.044 0.000 0.823 254 S N 1.844 117.531 115.700 -0.023 0.000 2.642 254 S HA 0.192 4.663 4.470 0.001 0.000 0.308 254 S C 0.246 174.833 174.600 -0.022 0.000 1.255 254 S CA 0.603 58.792 58.200 -0.019 0.000 1.057 254 S CB -0.471 62.723 63.200 -0.009 0.000 0.785 254 S HN 0.538 8.848 8.310 -0.000 0.000 0.500 255 S N 2.927 118.613 115.700 -0.024 0.000 2.542 255 S HA 0.443 4.914 4.470 0.001 0.000 0.276 255 S C -0.611 173.975 174.600 -0.024 0.000 1.148 255 S CA -1.009 57.175 58.200 -0.026 0.000 0.886 255 S CB 0.609 63.787 63.200 -0.036 0.000 1.109 255 S HN 0.752 9.062 8.310 -0.000 0.000 0.458 256 I N 2.908 123.470 120.570 -0.014 0.000 2.588 256 I HA 0.539 4.710 4.170 0.001 0.000 0.283 256 I C 0.530 176.641 176.117 -0.010 0.000 1.119 256 I CA -0.379 60.920 61.300 -0.001 0.000 1.419 256 I CB 1.028 39.034 38.000 0.010 0.000 1.394 256 I HN 0.588 8.798 8.210 -0.000 0.000 0.562 257 S N 6.950 122.654 115.700 0.008 0.000 2.592 257 S HA 0.580 5.051 4.470 0.001 0.000 0.271 257 S C -0.541 174.111 174.600 0.085 0.000 1.326 257 S CA -0.765 57.433 58.200 -0.003 0.000 1.024 257 S CB 1.620 64.866 63.200 0.077 0.000 0.921 257 S HN 0.743 9.053 8.310 -0.000 0.000 0.527 258 L N 1.566 122.849 121.223 0.100 0.000 2.408 258 L HA 0.622 4.963 4.340 0.001 0.000 0.268 258 L C -0.823 176.203 176.870 0.261 0.000 0.986 258 L CA -0.548 54.377 54.840 0.142 0.000 0.820 258 L CB 2.017 44.117 42.059 0.067 0.000 1.303 258 L HN 0.847 9.077 8.230 -0.000 0.000 0.411 259 R N 4.518 125.133 120.500 0.191 0.000 2.320 259 R HA 0.626 4.967 4.340 0.001 0.000 0.319 259 R C -1.129 175.216 176.300 0.075 0.000 0.969 259 R CA -0.690 55.498 56.100 0.147 0.000 0.857 259 R CB 1.450 31.770 30.300 0.034 0.000 1.160 259 R HN 0.605 8.875 8.270 -0.000 0.000 0.491 260 K N 1.425 121.868 120.400 0.072 0.000 2.578 260 K HA 0.077 4.398 4.320 0.001 0.000 0.269 260 K C -0.972 175.650 176.600 0.038 0.000 0.941 260 K CA -0.585 55.728 56.287 0.043 0.000 0.847 260 K CB 1.475 33.998 32.500 0.039 0.000 1.397 260 K HN 0.564 8.814 8.250 -0.000 0.000 0.422 261 E N 1.477 121.692 120.200 0.025 0.000 2.199 261 E HA -0.304 4.047 4.350 0.001 0.000 0.208 261 E C 0.464 177.079 176.600 0.024 0.000 1.310 261 E CA 0.926 57.338 56.400 0.021 0.000 0.709 261 E CB -1.516 28.195 29.700 0.019 0.000 1.127 261 E HN 1.067 9.427 8.360 -0.000 0.000 0.354 262 G N -0.055 108.759 108.800 0.024 0.000 2.267 262 G HA2 -0.379 3.581 3.960 0.001 0.000 0.257 262 G HA3 -0.379 3.581 3.960 0.001 0.000 0.257 262 G C 0.301 175.227 174.900 0.043 0.000 0.998 262 G CA 0.751 45.867 45.100 0.025 0.000 0.620 262 G HN 0.339 8.629 8.290 -0.000 0.000 0.529 263 R N -0.743 119.792 120.500 0.059 0.000 2.711 263 R HA 0.619 4.960 4.340 0.001 0.000 0.284 263 R C -1.250 175.153 176.300 0.173 0.000 0.968 263 R CA -0.887 55.266 56.100 0.088 0.000 0.924 263 R CB 1.447 31.778 30.300 0.051 0.000 1.162 263 R HN 0.175 8.445 8.270 -0.000 0.000 0.465 264 F N 2.647 122.590 119.950 -0.012 0.000 2.310 264 F HA 0.269 4.796 4.527 0.001 0.000 0.365 264 F C -0.468 175.324 175.800 -0.013 0.000 1.080 264 F CA -1.082 56.911 58.000 -0.011 0.000 1.187 264 F CB 0.268 39.261 39.000 -0.011 0.000 1.465 264 F HN 0.469 8.769 8.300 -0.000 0.000 0.496 265 S N 2.108 117.749 115.700 -0.098 0.000 2.690 265 S HA 0.834 5.305 4.470 0.001 0.000 0.291 265 S C 0.151 174.601 174.600 -0.251 0.000 1.138 265 S CA -0.317 57.772 58.200 -0.186 0.000 1.013 265 S CB 1.850 65.011 63.200 -0.066 0.000 1.053 265 S HN 0.655 8.965 8.310 -0.000 0.000 0.539 266 T N -1.550 112.880 114.554 -0.207 0.000 2.927 266 T HA 0.494 4.845 4.350 0.001 0.000 0.286 266 T C -1.024 173.628 174.700 -0.081 0.000 1.040 266 T CA -0.894 61.117 62.100 -0.148 0.000 1.010 266 T CB 1.185 69.957 68.868 -0.160 0.000 1.177 266 T HN 0.564 8.804 8.240 -0.000 0.000 0.546 267 D N 0.745 121.115 120.400 -0.051 0.000 2.255 267 D HA 0.402 5.042 4.640 0.001 0.000 0.249 267 D C -0.262 176.034 176.300 -0.007 0.000 1.078 267 D CA -0.091 53.895 54.000 -0.022 0.000 0.896 267 D CB 1.252 42.043 40.800 -0.015 0.000 1.194 267 D HN 0.475 8.845 8.370 -0.000 0.000 0.429 268 I N 2.628 123.212 120.570 0.023 0.000 2.433 268 I HA 0.227 4.397 4.170 0.001 0.000 0.292 268 I C 0.288 176.444 176.117 0.065 0.000 1.001 268 I CA -0.799 60.539 61.300 0.064 0.000 1.119 268 I CB 1.636 39.717 38.000 0.135 0.000 1.289 268 I HN 0.107 8.317 8.210 -0.000 0.000 0.438 269 L N 6.008 127.271 121.223 0.065 0.000 2.461 269 L HA 0.172 4.513 4.340 0.001 0.000 0.272 269 L C 1.003 177.917 176.870 0.073 0.000 1.197 269 L CA 0.018 54.885 54.840 0.046 0.000 0.836 269 L CB 0.467 42.543 42.059 0.028 0.000 1.105 269 L HN 0.638 8.868 8.230 -0.000 0.000 0.477 270 M N 0.826 120.440 119.600 0.024 0.000 2.313 270 M HA 0.201 4.681 4.480 0.001 0.000 0.273 270 M C -0.507 175.791 176.300 -0.003 0.000 1.049 270 M CA 0.279 55.596 55.300 0.028 0.000 1.004 270 M CB -0.367 32.237 32.600 0.007 0.000 1.461 270 M HN 0.505 8.795 8.290 -0.000 0.000 0.514 271 D N 0.739 121.083 120.400 -0.094 0.000 2.330 271 D HA 0.139 4.779 4.640 0.001 0.000 0.249 271 D C 1.100 177.128 176.300 -0.453 0.000 1.306 271 D CA -0.356 53.505 54.000 -0.231 0.000 0.956 271 D CB 0.705 41.368 40.800 -0.228 0.000 1.261 271 D HN 0.243 8.613 8.370 -0.000 0.000 0.544 272 W N 2.913 123.848 121.300 -0.608 0.000 2.303 272 W HA -0.294 4.367 4.660 0.001 0.000 0.287 272 W C 0.687 176.958 176.519 -0.413 0.000 1.213 272 W CA 0.794 57.506 57.345 -1.055 0.000 1.203 272 W CB -0.594 28.422 29.460 -0.740 0.000 1.136 272 W HN 0.394 8.574 8.180 -0.000 0.000 0.547 273 Q N 0.805 119.946 119.800 -1.099 0.000 2.135 273 Q HA -0.164 4.177 4.340 0.001 0.000 0.204 273 Q C 2.464 178.272 176.000 -0.320 0.000 0.981 273 Q CA 2.650 57.916 55.803 -0.894 0.000 0.856 273 Q CB -0.423 27.785 28.738 -0.883 0.000 0.902 273 Q HN 0.357 8.627 8.270 -0.000 0.000 0.425 274 R N -0.532 119.792 120.500 -0.293 0.000 2.093 274 R HA -0.012 4.328 4.340 0.001 0.000 0.224 274 R C 2.185 178.404 176.300 -0.136 0.000 1.101 274 R CA 0.867 56.867 56.100 -0.166 0.000 0.979 274 R CB -0.079 30.129 30.300 -0.154 0.000 0.877 274 R HN 0.014 8.284 8.270 -0.000 0.000 0.441 275 R N 0.280 120.643 120.500 -0.229 0.000 2.133 275 R HA -0.147 4.194 4.340 0.001 0.000 0.247 275 R C 0.675 176.654 176.300 -0.536 0.000 1.151 275 R CA 1.731 57.584 56.100 -0.411 0.000 0.971 275 R CB -0.157 29.825 30.300 -0.530 0.000 0.866 275 R HN 0.154 8.424 8.270 -0.000 0.000 0.447 276 F N -1.718 118.287 119.950 0.091 0.000 2.746 276 F HA 0.239 4.766 4.527 0.001 0.000 0.320 276 F C 1.444 177.282 175.800 0.064 0.000 1.097 276 F CA -0.211 57.805 58.000 0.027 0.000 1.195 276 F CB -0.029 38.907 39.000 -0.106 0.000 1.056 276 F HN -0.147 8.153 8.300 -0.000 0.000 0.562 277 V N 1.081 121.180 119.914 0.308 0.000 2.311 277 V HA -0.382 3.738 4.120 0.001 0.000 0.256 277 V C 2.189 178.439 176.094 0.260 0.000 1.077 277 V CA 2.680 65.177 62.300 0.327 0.000 1.067 277 V CB -0.434 31.474 31.823 0.141 0.000 0.659 277 V HN 0.282 8.472 8.190 -0.000 0.000 0.451 278 A N -0.892 122.032 122.820 0.173 0.000 2.067 278 A HA 0.330 4.651 4.320 0.001 0.000 0.217 278 A C 2.371 180.032 177.584 0.129 0.000 1.156 278 A CA 1.520 53.637 52.037 0.133 0.000 0.683 278 A CB -0.696 18.366 19.000 0.103 0.000 0.808 278 A HN 0.961 9.111 8.150 -0.000 0.000 0.455 279 A N -1.005 121.892 122.820 0.129 0.000 1.929 279 A HA 0.030 4.350 4.320 0.001 0.000 0.216 279 A C 1.987 179.560 177.584 -0.019 0.000 1.176 279 A CA 1.281 53.358 52.037 0.068 0.000 0.628 279 A CB -0.706 18.315 19.000 0.034 0.000 0.816 279 A HN 0.512 8.662 8.150 -0.000 0.000 0.444 280 Y N 0.781 121.156 120.300 0.124 0.000 2.070 280 Y HA -0.221 4.330 4.550 0.001 0.000 0.280 280 Y C 2.296 178.181 175.900 -0.025 0.000 1.148 280 Y CA 1.616 59.764 58.100 0.080 0.000 1.125 280 Y CB -0.820 37.728 38.460 0.147 0.000 0.975 280 Y HN 0.292 8.572 8.280 -0.000 0.000 0.492 281 D N -0.442 120.060 120.400 0.170 0.000 2.149 281 D HA -0.179 4.462 4.640 0.001 0.000 0.194 281 D C 2.331 178.608 176.300 -0.038 0.000 1.001 281 D CA 1.600 55.631 54.000 0.051 0.000 0.849 281 D CB -0.562 40.273 40.800 0.058 0.000 0.939 281 D HN 0.152 8.522 8.370 -0.000 0.000 0.449 282 V N 0.535 120.422 119.914 -0.046 0.000 2.358 282 V HA -0.188 3.933 4.120 0.001 0.000 0.246 282 V C 2.398 178.272 176.094 -0.366 0.000 1.047 282 V CA 1.666 63.899 62.300 -0.112 0.000 1.035 282 V CB -0.436 31.388 31.823 0.002 0.000 0.658 282 V HN 0.242 8.432 8.190 -0.000 0.000 0.452 283 E N 0.040 119.903 120.200 -0.562 0.000 2.070 283 E HA -0.249 4.101 4.350 0.001 0.000 0.197 283 E C 2.207 178.471 176.600 -0.561 0.000 1.004 283 E CA 1.767 57.580 56.400 -0.978 0.000 0.805 283 E CB -0.028 29.378 29.700 -0.490 0.000 0.744 283 E HN 0.411 8.771 8.360 -0.000 0.000 0.451 284 I N 1.005 121.337 120.570 -0.397 0.000 2.233 284 I HA -0.190 3.980 4.170 0.001 0.000 0.243 284 I C 2.548 178.547 176.117 -0.196 0.000 1.093 284 I CA 1.102 62.165 61.300 -0.394 0.000 1.380 284 I CB -1.386 36.377 38.000 -0.395 0.000 1.067 284 I HN 0.221 8.431 8.210 -0.000 0.000 0.413 285 Q N 0.979 120.681 119.800 -0.162 0.000 2.248 285 Q HA -0.265 4.075 4.340 0.001 0.000 0.208 285 Q C 1.719 177.663 176.000 -0.094 0.000 0.984 285 Q CA 2.065 57.806 55.803 -0.103 0.000 0.875 285 Q CB -0.276 28.415 28.738 -0.078 0.000 0.910 285 Q HN 0.501 8.771 8.270 -0.000 0.000 0.433 286 D N -1.509 118.811 120.400 -0.133 0.000 2.162 286 D HA -0.120 4.521 4.640 0.001 0.000 0.203 286 D C 1.385 177.672 176.300 -0.021 0.000 0.967 286 D CA 0.674 54.627 54.000 -0.078 0.000 0.840 286 D CB -0.252 40.485 40.800 -0.105 0.000 0.972 286 D HN 0.310 8.680 8.370 -0.000 0.000 0.482 287 F N 1.285 121.120 119.950 -0.192 0.000 2.043 287 F HA -0.180 4.348 4.527 0.001 0.000 0.297 287 F C 1.913 177.612 175.800 -0.169 0.000 1.121 287 F CA 1.634 59.538 58.000 -0.161 0.000 1.199 287 F CB -0.488 38.375 39.000 -0.228 0.000 0.968 287 F HN -0.019 8.281 8.300 -0.000 0.000 0.478 288 I N 0.296 120.800 120.570 -0.110 0.000 2.032 288 I HA -0.377 3.794 4.170 0.001 0.000 0.231 288 I C 2.261 178.252 176.117 -0.209 0.000 1.035 288 I CA 1.877 63.059 61.300 -0.197 0.000 1.312 288 I CB -0.976 36.971 38.000 -0.089 0.000 1.041 288 I HN 0.125 8.335 8.210 -0.000 0.000 0.390 289 D N 0.592 120.915 120.400 -0.128 0.000 2.170 289 D HA -0.227 4.414 4.640 0.001 0.000 0.193 289 D C 2.240 178.463 176.300 -0.129 0.000 1.004 289 D CA 1.951 55.888 54.000 -0.105 0.000 0.860 289 D CB -0.366 40.396 40.800 -0.063 0.000 0.931 289 D HN 0.278 8.648 8.370 -0.000 0.000 0.448 290 S N -0.238 115.377 115.700 -0.141 0.000 2.368 290 S HA -0.121 4.349 4.470 0.001 0.000 0.225 290 S C 2.151 176.611 174.600 -0.234 0.000 1.030 290 S CA 0.570 58.685 58.200 -0.142 0.000 0.999 290 S CB -0.222 62.918 63.200 -0.100 0.000 0.844 290 S HN 0.189 8.499 8.310 -0.000 0.000 0.459 291 I N 1.138 121.471 120.570 -0.397 0.000 2.113 291 I HA -0.221 3.950 4.170 0.001 0.000 0.238 291 I C 2.762 178.682 176.117 -0.329 0.000 1.070 291 I CA 1.572 62.535 61.300 -0.561 0.000 1.332 291 I CB -0.356 37.117 38.000 -0.877 0.000 1.044 291 I HN 0.411 8.621 8.210 -0.000 0.000 0.402 292 Q N 0.496 120.151 119.800 -0.242 0.000 2.226 292 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 292 Q C 1.001 176.946 176.000 -0.092 0.000 0.975 292 Q CA 1.155 56.876 55.803 -0.137 0.000 0.866 292 Q CB -0.006 28.667 28.738 -0.108 0.000 0.915 292 Q HN 0.502 8.772 8.270 -0.000 0.000 0.440 293 K N -0.575 119.768 120.400 -0.096 0.000 2.537 293 K HA 0.228 4.549 4.320 0.001 0.000 0.206 293 K C 0.386 176.953 176.600 -0.055 0.000 1.041 293 K CA 0.016 56.267 56.287 -0.061 0.000 1.090 293 K CB 0.816 33.286 32.500 -0.050 0.000 0.833 293 K HN -0.071 8.179 8.250 -0.000 0.000 0.493 294 K N -1.016 119.343 120.400 -0.068 0.000 2.504 294 K HA 0.034 4.355 4.320 0.001 0.000 0.189 294 K C 0.584 177.164 176.600 -0.034 0.000 1.803 294 K CA 0.528 56.786 56.287 -0.049 0.000 1.040 294 K CB 1.317 33.784 32.500 -0.054 0.000 1.587 294 K HN 0.249 8.499 8.250 -0.000 0.000 0.584 295 G N 2.624 111.396 108.800 -0.048 0.000 2.180 295 G HA2 -0.316 3.644 3.960 0.001 0.000 0.263 295 G HA3 -0.316 3.644 3.960 0.001 0.000 0.263 295 G C -0.308 174.651 174.900 0.098 0.000 0.989 295 G CA 1.485 46.613 45.100 0.047 0.000 0.692 295 G HN 0.476 8.766 8.290 -0.000 0.000 0.526 296 E N -1.421 118.760 120.200 -0.031 0.000 2.412 296 E HA 0.637 4.988 4.350 0.001 0.000 0.279 296 E C 0.165 176.702 176.600 -0.105 0.000 0.984 296 E CA -0.825 55.587 56.400 0.019 0.000 0.788 296 E CB 1.890 31.631 29.700 0.068 0.000 1.277 296 E HN 0.827 9.187 8.360 -0.000 0.000 0.455 297 V N -0.744 119.152 119.914 -0.029 0.000 3.489 297 V HA 0.401 4.522 4.120 0.001 0.000 0.297 297 V C 0.285 176.420 176.094 0.069 0.000 1.071 297 V CA 0.117 62.413 62.300 -0.008 0.000 1.074 297 V CB 1.229 33.157 31.823 0.175 0.000 1.188 297 V HN 0.821 9.011 8.190 -0.000 0.000 0.458 298 S N -0.156 115.616 115.700 0.120 0.000 2.930 298 S HA 0.384 4.854 4.470 0.001 0.000 0.253 298 S C 1.179 175.867 174.600 0.146 0.000 1.083 298 S CA 0.369 58.639 58.200 0.117 0.000 0.836 298 S CB 0.199 63.458 63.200 0.097 0.000 0.814 298 S HN 1.303 9.613 8.310 -0.000 0.000 0.467 299 G N 2.458 111.383 108.800 0.209 0.000 2.522 299 G HA2 0.223 4.183 3.960 0.001 0.000 0.223 299 G HA3 0.223 4.183 3.960 0.001 0.000 0.223 299 G C -2.641 172.311 174.900 0.086 0.000 1.565 299 G CA -0.522 44.686 45.100 0.178 0.000 1.053 299 G HN 0.225 8.515 8.290 -0.000 0.000 0.547 300 P HA 0.153 4.573 4.420 -0.000 0.000 0.262 300 P C 0.527 177.895 177.300 0.113 0.000 1.199 300 P CA 0.102 63.237 63.100 0.057 0.000 0.763 300 P CB 0.295 32.071 31.700 0.126 0.000 0.790 301 T N 0.275 114.918 114.554 0.147 0.000 2.754 301 T HA 0.365 4.715 4.350 0.001 0.000 0.286 301 T C 1.502 176.295 174.700 0.154 0.000 0.997 301 T CA -0.080 62.138 62.100 0.196 0.000 0.982 301 T CB 0.613 69.621 68.868 0.234 0.000 1.027 301 T HN 0.260 8.500 8.240 -0.000 0.000 0.529 302 A N 0.131 123.074 122.820 0.205 0.000 1.972 302 A HA -0.019 4.302 4.320 0.001 0.000 0.219 302 A C 2.077 179.732 177.584 0.118 0.000 1.169 302 A CA 1.144 53.278 52.037 0.161 0.000 0.635 302 A CB -1.341 17.814 19.000 0.258 0.000 0.810 302 A HN 0.970 9.120 8.150 -0.000 0.000 0.446 303 W N 1.066 122.223 121.300 -0.239 0.000 2.355 303 W HA -0.173 4.488 4.660 0.001 0.000 0.309 303 W C 0.993 177.488 176.519 -0.041 0.000 1.206 303 W CA 1.767 58.943 57.345 -0.282 0.000 1.284 303 W CB -0.198 28.801 29.460 -0.769 0.000 1.145 303 W HN 0.394 8.574 8.180 -0.000 0.000 0.502 304 D N -0.042 120.377 120.400 0.032 0.000 2.182 304 D HA -0.138 4.503 4.640 0.001 0.000 0.201 304 D C 2.273 178.592 176.300 0.031 0.000 0.986 304 D CA 1.854 55.879 54.000 0.042 0.000 0.847 304 D CB -0.964 39.951 40.800 0.192 0.000 0.942 304 D HN 0.309 8.679 8.370 -0.000 0.000 0.467 305 G N -0.244 108.606 108.800 0.084 0.000 2.408 305 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 305 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 305 G C 1.566 176.456 174.900 -0.017 0.000 1.150 305 G CA 0.556 45.724 45.100 0.113 0.000 0.776 305 G HN 0.303 8.593 8.290 -0.000 0.000 0.542 306 Y N 1.745 121.889 120.300 -0.260 0.000 2.145 306 Y HA -0.098 4.452 4.550 0.001 0.000 0.286 306 Y C 2.502 178.143 175.900 -0.431 0.000 1.145 306 Y CA 1.248 59.129 58.100 -0.364 0.000 1.148 306 Y CB -0.373 37.763 38.460 -0.540 0.000 0.981 306 Y HN 0.206 8.486 8.280 -0.000 0.000 0.507 307 I N 0.744 120.818 120.570 -0.828 0.000 2.194 307 I HA -0.377 3.794 4.170 0.001 0.000 0.246 307 I C 2.755 178.567 176.117 -0.509 0.000 1.093 307 I CA 1.356 62.148 61.300 -0.847 0.000 1.355 307 I CB -1.095 36.454 38.000 -0.752 0.000 1.046 307 I HN 0.362 8.572 8.210 -0.000 0.000 0.413 308 A N 1.134 123.773 122.820 -0.301 0.000 1.851 308 A HA -0.231 4.089 4.320 0.001 0.000 0.216 308 A C 2.623 180.106 177.584 -0.168 0.000 1.195 308 A CA 2.350 54.288 52.037 -0.165 0.000 0.622 308 A CB -1.100 17.893 19.000 -0.012 0.000 0.831 308 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 309 A N -0.607 122.113 122.820 -0.167 0.000 1.892 309 A HA -0.086 4.235 4.320 0.001 0.000 0.218 309 A C 2.260 179.740 177.584 -0.172 0.000 1.188 309 A CA 2.211 54.169 52.037 -0.131 0.000 0.631 309 A CB -1.217 17.743 19.000 -0.067 0.000 0.822 309 A HN 0.547 8.697 8.150 -0.000 0.000 0.447 310 V N -0.183 119.545 119.914 -0.309 0.000 2.287 310 V HA -0.265 3.856 4.120 0.001 0.000 0.248 310 V C 2.714 178.698 176.094 -0.183 0.000 1.053 310 V CA 2.570 64.703 62.300 -0.277 0.000 1.027 310 V CB -1.525 30.015 31.823 -0.472 0.000 0.646 310 V HN 0.635 8.825 8.190 -0.000 0.000 0.447 311 T N -0.708 113.735 114.554 -0.184 0.000 2.812 311 T HA -0.165 4.186 4.350 0.001 0.000 0.264 311 T C 1.965 176.610 174.700 -0.092 0.000 1.042 311 T CA 1.840 63.882 62.100 -0.098 0.000 1.140 311 T CB -0.461 68.401 68.868 -0.010 0.000 0.870 311 T HN 0.534 8.774 8.240 -0.000 0.000 0.445 312 T N 2.334 116.830 114.554 -0.098 0.000 2.737 312 T HA -0.156 4.195 4.350 0.001 0.000 0.269 312 T C 1.639 176.293 174.700 -0.077 0.000 1.040 312 T CA 1.418 63.467 62.100 -0.086 0.000 1.142 312 T CB -0.517 68.299 68.868 -0.085 0.000 0.861 312 T HN 0.372 8.612 8.240 -0.000 0.000 0.456 313 D N 1.473 121.826 120.400 -0.079 0.000 2.088 313 D HA -0.053 4.588 4.640 0.001 0.000 0.191 313 D C 2.460 178.728 176.300 -0.054 0.000 0.992 313 D CA 1.472 55.435 54.000 -0.061 0.000 0.831 313 D CB -0.815 39.950 40.800 -0.059 0.000 0.973 313 D HN 0.381 8.751 8.370 -0.000 0.000 0.447 314 A N 0.421 123.206 122.820 -0.059 0.000 1.997 314 A HA -0.260 4.061 4.320 0.001 0.000 0.221 314 A C 2.557 180.111 177.584 -0.051 0.000 1.172 314 A CA 1.714 53.721 52.037 -0.050 0.000 0.645 314 A CB -1.055 17.913 19.000 -0.054 0.000 0.813 314 A HN 0.384 8.534 8.150 -0.000 0.000 0.454 315 C N -1.601 117.662 119.300 -0.062 0.000 2.489 315 C HA -0.029 4.432 4.460 0.001 0.000 0.279 315 C C 2.712 177.678 174.990 -0.040 0.000 1.266 315 C CA 1.031 60.011 59.018 -0.063 0.000 1.707 315 C CB -1.095 26.598 27.740 -0.078 0.000 2.059 315 C HN 0.499 8.729 8.230 -0.000 0.000 0.481 316 V N 1.024 120.917 119.914 -0.035 0.000 2.626 316 V HA -0.185 3.935 4.120 0.001 0.000 0.252 316 V C 2.355 178.446 176.094 -0.004 0.000 1.067 316 V CA 1.702 63.992 62.300 -0.016 0.000 1.081 316 V CB -0.788 31.019 31.823 -0.027 0.000 0.686 316 V HN 0.557 8.747 8.190 -0.000 0.000 0.468 317 K N 0.821 121.213 120.400 -0.014 0.000 2.002 317 K HA -0.136 4.184 4.320 0.001 0.000 0.209 317 K C 2.237 178.839 176.600 0.004 0.000 1.048 317 K CA 1.554 57.836 56.287 -0.008 0.000 0.930 317 K CB -0.370 32.121 32.500 -0.015 0.000 0.714 317 K HN 0.429 8.679 8.250 -0.000 0.000 0.438 318 A N 0.891 123.708 122.820 -0.004 0.000 2.070 318 A HA -0.177 4.144 4.320 0.001 0.000 0.220 318 A C 1.928 179.539 177.584 0.045 0.000 1.159 318 A CA 1.195 53.236 52.037 0.005 0.000 0.656 318 A CB -0.382 18.605 19.000 -0.023 0.000 0.800 318 A HN 0.443 8.593 8.150 -0.000 0.000 0.453 319 Q N -0.684 119.151 119.800 0.057 0.000 2.124 319 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 319 Q C 1.669 177.770 176.000 0.167 0.000 0.977 319 Q CA 1.721 57.616 55.803 0.154 0.000 0.850 319 Q CB -0.054 28.759 28.738 0.124 0.000 0.901 319 Q HN 0.815 9.085 8.270 -0.000 0.000 0.429 320 E N -0.569 119.677 120.200 0.076 0.000 2.251 320 E HA -0.042 4.309 4.350 0.001 0.000 0.194 320 E C 1.865 178.484 176.600 0.030 0.000 0.964 320 E CA 0.873 57.295 56.400 0.037 0.000 0.868 320 E CB 0.282 29.991 29.700 0.016 0.000 0.828 320 E HN 0.189 8.549 8.360 -0.000 0.000 0.481 321 S N -0.022 115.699 115.700 0.035 0.000 2.524 321 S HA 0.105 4.576 4.470 0.001 0.000 0.216 321 S C 1.752 176.374 174.600 0.037 0.000 0.987 321 S CA 0.386 58.601 58.200 0.025 0.000 0.909 321 S CB 0.133 63.342 63.200 0.015 0.000 0.781 321 S HN 0.278 8.588 8.310 -0.000 0.000 0.521 322 G N 1.007 109.849 108.800 0.069 0.000 2.402 322 G HA2 -0.299 3.661 3.960 0.001 0.000 0.300 322 G HA3 -0.299 3.661 3.960 0.001 0.000 0.300 322 G C -0.187 174.736 174.900 0.038 0.000 0.987 322 G CA 0.986 46.134 45.100 0.080 0.000 0.881 322 G HN 0.849 9.139 8.290 -0.000 0.000 0.512 323 Q N -0.884 118.929 119.800 0.022 0.000 2.399 323 Q HA 0.575 4.915 4.340 0.001 0.000 0.276 323 Q C 0.238 176.237 176.000 -0.002 0.000 1.098 323 Q CA -1.055 54.754 55.803 0.009 0.000 0.827 323 Q CB 0.889 29.632 28.738 0.007 0.000 1.386 323 Q HN 0.164 8.434 8.270 -0.000 0.000 0.443 324 K N 3.067 123.463 120.400 -0.006 0.000 2.054 324 K HA 0.042 4.362 4.320 0.001 0.000 0.242 324 K C -0.714 175.878 176.600 -0.014 0.000 1.157 324 K CA -0.082 56.197 56.287 -0.014 0.000 1.079 324 K CB 0.074 32.566 32.500 -0.013 0.000 1.331 324 K HN 0.517 8.767 8.250 -0.000 0.000 0.317 325 E N 2.283 122.473 120.200 -0.017 0.000 2.415 325 E HA -0.059 4.291 4.350 0.001 0.000 0.262 325 E C -0.200 176.389 176.600 -0.018 0.000 1.038 325 E CA 0.104 56.494 56.400 -0.017 0.000 0.921 325 E CB 0.696 30.384 29.700 -0.021 0.000 0.950 325 E HN 0.272 8.632 8.360 -0.000 0.000 0.438 326 K N 0.555 120.947 120.400 -0.013 0.000 2.098 326 K HA 0.281 4.602 4.320 0.001 0.000 0.257 326 K C -0.962 175.629 176.600 -0.015 0.000 0.999 326 K CA -0.545 55.736 56.287 -0.010 0.000 0.924 326 K CB 1.059 33.557 32.500 -0.003 0.000 1.028 326 K HN 0.208 8.458 8.250 -0.000 0.000 0.466 327 V N 3.615 123.522 119.914 -0.012 0.000 2.304 327 V HA 0.228 4.349 4.120 0.001 0.000 0.278 327 V C -0.884 175.199 176.094 -0.018 0.000 1.018 327 V CA -0.652 61.634 62.300 -0.023 0.000 0.814 327 V CB 1.002 32.816 31.823 -0.015 0.000 1.021 327 V HN 0.737 8.927 8.190 -0.000 0.000 0.440 328 E N 4.968 125.159 120.200 -0.015 0.000 2.001 328 E HA 0.427 4.778 4.350 0.001 0.000 0.279 328 E C -0.764 175.844 176.600 0.013 0.000 1.045 328 E CA -0.094 56.311 56.400 0.008 0.000 0.833 328 E CB 0.961 30.674 29.700 0.022 0.000 1.077 328 E HN 0.546 8.906 8.360 -0.000 0.000 0.397 329 L N 3.405 124.642 121.223 0.023 0.000 2.309 329 L HA 0.362 4.703 4.340 0.001 0.000 0.282 329 L C 0.615 177.598 176.870 0.189 0.000 1.036 329 L CA -0.712 54.160 54.840 0.054 0.000 0.806 329 L CB 1.214 43.268 42.059 -0.007 0.000 1.220 329 L HN 0.336 8.566 8.230 -0.000 0.000 0.429 330 K N 1.404 122.011 120.400 0.345 0.000 2.138 330 K HA 0.086 4.407 4.320 0.001 0.000 0.251 330 K C -0.176 176.650 176.600 0.376 0.000 1.015 330 K CA -0.541 55.947 56.287 0.335 0.000 0.917 330 K CB 0.732 33.426 32.500 0.324 0.000 1.021 330 K HN 0.436 8.686 8.250 -0.000 0.000 0.485 331 E N 1.857 122.185 120.200 0.214 0.000 2.829 331 E HA -0.174 4.176 4.350 0.001 0.000 0.264 331 E C -0.559 176.069 176.600 0.046 0.000 0.922 331 E CA 0.935 57.407 56.400 0.119 0.000 0.960 331 E CB 0.249 29.980 29.700 0.053 0.000 0.918 331 E HN 0.189 8.549 8.360 -0.000 0.000 0.497 332 K N 5.744 126.101 120.400 -0.072 0.000 2.284 332 K HA 0.206 4.526 4.320 0.001 0.000 0.287 332 K C -2.250 174.145 176.600 -0.342 0.000 1.081 332 K CA -1.878 54.124 56.287 -0.474 0.000 0.910 332 K CB 0.474 32.798 32.500 -0.293 0.000 1.088 332 K HN 0.292 8.542 8.250 -0.000 0.000 0.478 333 P HA -0.062 4.358 4.420 -0.000 0.000 0.262 333 P C 0.102 177.387 177.300 -0.025 0.000 1.182 333 P CA 0.080 63.118 63.100 -0.103 0.000 0.761 333 P CB 0.941 32.644 31.700 0.005 0.000 0.795 334 E N 3.615 123.809 120.200 -0.011 0.000 2.147 334 E HA -0.262 4.089 4.350 0.001 0.000 0.199 334 E C 1.386 177.984 176.600 -0.004 0.000 1.005 334 E CA 1.409 57.804 56.400 -0.007 0.000 0.810 334 E CB -0.920 28.779 29.700 -0.001 0.000 0.736 334 E HN 0.438 8.798 8.360 -0.000 0.000 0.460 335 F N 0.284 120.128 119.950 -0.178 0.000 2.063 335 F HA -0.278 4.250 4.527 0.002 0.000 0.296 335 F C 0.413 175.989 175.800 -0.374 0.000 1.093 335 F CA 1.667 59.476 58.000 -0.319 0.000 1.229 335 F CB -0.619 38.091 39.000 -0.483 0.000 0.971 335 F HN 0.040 8.340 8.300 -0.000 0.000 0.491 336 Y N 2.188 122.414 120.300 -0.123 0.000 2.556 336 Y HA 0.403 4.954 4.550 0.001 0.000 0.352 336 Y C 0.404 176.215 175.900 -0.149 0.000 1.006 336 Y CA 0.148 58.132 58.100 -0.194 0.000 1.277 336 Y CB -0.526 37.838 38.460 -0.160 0.000 1.136 336 Y HN 0.364 8.644 8.280 -0.000 0.000 0.523 337 Q N 0.000 119.777 119.800 -0.038 0.000 2.315 337 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 337 Q CA 0.000 55.796 55.803 -0.012 0.000 1.022 337 Q CB 0.000 28.753 28.738 0.026 0.000 1.108 337 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481