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 2ku2_1_G DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AGGRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV DATA SEQUENCE LLISDKKVRS RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA DATA SEQUENCE QQEKVTYGSL VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP DATA SEQUENCE RLFDCDPAGT INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA DATA SEQUENCE LKSSLEEGEE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.968 3.960 0.013 0.000 0.244 -3 G C 0.000 174.908 174.900 0.013 0.000 0.946 -3 G CA 0.000 45.107 45.100 0.012 0.000 0.502 -2 A N 0.885 123.711 122.820 0.010 0.000 2.425 -2 A HA 0.285 4.612 4.320 0.012 0.000 0.249 -2 A C 1.065 178.656 177.584 0.012 0.000 1.084 -2 A CA -0.385 51.658 52.037 0.011 0.000 0.781 -2 A CB 0.866 19.871 19.000 0.008 0.000 1.019 -2 A HN -0.275 7.880 8.150 0.008 0.000 0.490 -1 M N 0.999 120.608 119.600 0.014 0.000 2.175 -1 M HA -0.207 4.282 4.480 0.015 0.000 0.264 -1 M C 0.713 177.020 176.300 0.011 0.000 1.063 -1 M CA 1.174 56.483 55.300 0.014 0.000 1.119 -1 M CB 0.318 32.928 32.600 0.017 0.000 1.377 -1 M HN 0.202 8.501 8.290 0.015 0.000 0.415 0 G N -2.448 106.358 108.800 0.010 0.000 3.715 0 G HA2 -0.093 3.872 3.960 0.007 0.000 0.228 0 G HA3 -0.093 3.872 3.960 0.007 0.000 0.228 0 G C -0.979 173.925 174.900 0.007 0.000 1.825 0 G CA -0.522 44.583 45.100 0.008 0.000 1.134 0 G HN -0.393 7.903 8.290 0.010 0.000 0.556 1 M N -0.618 118.987 119.600 0.007 0.000 2.235 1 M HA 0.215 4.699 4.480 0.007 0.000 0.351 1 M C 0.113 176.416 176.300 0.005 0.000 1.178 1 M CA -0.458 54.846 55.300 0.007 0.000 1.143 1 M CB 0.468 33.072 32.600 0.007 0.000 1.530 1 M HN -0.369 7.926 8.290 0.008 0.000 0.461 2 Q N 1.849 121.652 119.800 0.005 0.000 2.123 2 Q HA 0.041 4.383 4.340 0.003 0.000 0.244 2 Q C -0.720 175.282 176.000 0.003 0.000 0.769 2 Q CA 0.044 55.849 55.803 0.004 0.000 0.938 2 Q CB 0.872 29.612 28.738 0.004 0.000 1.170 2 Q HN 0.260 8.533 8.270 0.005 0.000 0.469 3 Q N 1.663 121.465 119.800 0.004 0.000 2.271 3 Q HA -0.066 4.276 4.340 0.003 0.000 0.273 3 Q C 0.533 176.535 176.000 0.003 0.000 1.051 3 Q CA 0.086 55.891 55.803 0.003 0.000 0.901 3 Q CB 0.260 29.000 28.738 0.004 0.000 1.174 3 Q HN -0.173 8.100 8.270 0.004 0.000 0.385 4 G N 4.380 113.181 108.800 0.002 0.000 2.422 4 G HA2 -0.182 3.779 3.960 0.002 0.000 0.218 4 G HA3 -0.182 3.779 3.960 0.002 0.000 0.218 4 G C 0.688 175.589 174.900 0.002 0.000 1.140 4 G CA 0.990 46.091 45.100 0.002 0.000 0.775 4 G HN 0.518 8.810 8.290 0.002 0.000 0.545 5 Q N -0.885 118.916 119.800 0.002 0.000 2.084 5 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 5 Q C 0.543 176.544 176.000 0.002 0.000 0.978 5 Q CA 1.230 57.035 55.803 0.002 0.000 0.844 5 Q CB -0.012 28.727 28.738 0.002 0.000 0.898 5 Q HN 0.028 8.282 8.270 0.002 0.017 0.426 6 M N -1.426 118.176 119.600 0.003 0.000 2.216 6 M HA -0.085 4.397 4.480 0.004 0.000 0.356 6 M C -1.275 175.027 176.300 0.004 0.000 1.205 6 M CA -0.046 55.256 55.300 0.004 0.000 1.122 6 M CB 0.315 32.918 32.600 0.005 0.000 1.571 6 M HN -0.529 7.763 8.290 0.003 0.000 0.464 7 A N 0.840 123.662 122.820 0.004 0.000 2.552 7 A HA 0.075 4.397 4.320 0.003 0.000 0.177 7 A C -1.047 176.538 177.584 0.003 0.000 1.677 7 A CA 0.177 52.215 52.037 0.003 0.000 1.096 7 A CB 0.685 19.686 19.000 0.002 0.000 1.174 7 A HN 0.439 8.591 8.150 0.004 0.000 0.435 8 G N -0.798 108.004 108.800 0.003 0.000 2.500 8 G HA2 -0.083 3.880 3.960 0.005 0.000 0.299 8 G HA3 -0.083 3.879 3.960 0.002 0.000 0.299 8 G C -0.661 174.242 174.900 0.005 0.000 1.242 8 G CA 0.487 45.590 45.100 0.004 0.000 0.859 8 G HN -0.473 7.819 8.290 0.004 0.000 0.481 9 G N -0.718 108.084 108.800 0.005 0.000 2.182 9 G HA2 -0.209 3.754 3.960 0.005 0.000 0.248 9 G HA3 -0.209 3.754 3.960 0.004 0.000 0.248 9 G C -0.485 174.418 174.900 0.006 0.000 1.042 9 G CA 0.032 45.135 45.100 0.005 0.000 0.775 9 G HN -0.101 8.191 8.290 0.004 0.000 0.501 10 R N -0.837 119.668 120.500 0.008 0.000 2.543 10 R HA 0.003 4.348 4.340 0.009 0.000 0.277 10 R C 0.239 176.544 176.300 0.008 0.000 1.074 10 R CA -0.205 55.900 56.100 0.009 0.000 1.076 10 R CB 0.538 30.846 30.300 0.013 0.000 0.993 10 R HN -0.253 8.022 8.270 0.008 0.000 0.459 11 A N 4.360 127.182 122.820 0.004 0.000 2.248 11 A HA 0.305 4.627 4.320 0.003 0.000 0.316 11 A C -1.013 176.567 177.584 -0.007 0.000 1.101 11 A CA -0.896 51.141 52.037 -0.000 0.000 0.875 11 A CB 0.865 19.863 19.000 -0.003 0.000 1.207 11 A HN 0.187 8.340 8.150 0.004 0.000 0.504 12 I N -0.459 120.104 120.570 -0.011 0.000 2.329 12 I HA 0.015 4.169 4.170 -0.027 0.000 0.295 12 I C -1.164 174.920 176.117 -0.056 0.000 1.109 12 I CA -0.307 60.977 61.300 -0.027 0.000 1.297 12 I CB -0.671 37.322 38.000 -0.013 0.000 1.433 12 I HN -0.046 8.160 8.210 -0.007 0.000 0.509 13 T N 7.432 121.936 114.554 -0.085 0.000 5.413 13 T HA -0.066 4.173 4.350 -0.184 0.000 0.298 13 T C -1.660 172.965 174.700 -0.124 0.000 0.916 13 T CA 0.176 62.199 62.100 -0.128 0.000 0.393 13 T CB -0.370 68.447 68.868 -0.085 0.000 0.463 13 T HN -0.098 8.097 8.240 -0.074 0.000 0.198 14 V N 1.677 121.513 119.914 -0.131 0.000 2.444 14 V HA 0.291 4.410 4.120 -0.002 0.000 0.294 14 V C -1.854 174.186 176.094 -0.090 0.000 1.022 14 V CA -0.867 61.401 62.300 -0.054 0.000 0.850 14 V CB 1.883 33.712 31.823 0.010 0.000 0.992 14 V HN -0.594 7.513 8.190 -0.137 0.000 0.426 15 F N 8.515 128.463 119.950 -0.003 0.000 2.399 15 F HA 0.247 4.900 4.527 -0.047 -0.155 0.342 15 F C 0.484 176.296 175.800 0.021 0.000 1.106 15 F CA -0.185 57.803 58.000 -0.019 0.000 1.196 15 F CB 1.275 40.255 39.000 -0.033 0.000 1.163 15 F HN 0.191 8.623 8.300 0.219 0.000 0.547 16 S N 3.710 119.536 115.700 0.211 0.000 2.614 16 S HA 0.233 4.859 4.470 0.259 0.000 0.265 16 S C -0.286 174.414 174.600 0.167 0.000 1.303 16 S CA -1.083 57.256 58.200 0.231 0.000 1.000 16 S CB -0.305 63.063 63.200 0.280 0.000 0.935 16 S HN 0.602 8.946 8.310 0.142 0.051 0.551 17 P HA -0.120 4.345 4.420 0.074 0.000 0.223 17 P C -1.300 176.037 177.300 0.062 0.000 1.144 17 P CA 1.967 65.121 63.100 0.090 0.000 0.783 17 P CB -0.254 31.496 31.700 0.083 0.000 0.771 18 D N -5.614 114.828 120.400 0.071 0.000 2.349 18 D HA -0.086 4.567 4.640 0.021 0.000 0.214 18 D C 0.773 177.072 176.300 -0.002 0.000 1.063 18 D CA -0.472 53.545 54.000 0.029 0.000 0.847 18 D CB -0.890 39.932 40.800 0.036 0.000 0.933 18 D HN -0.435 7.932 8.370 0.104 0.066 0.513 19 G N 1.407 110.221 108.800 0.024 0.000 2.204 19 G HA2 -0.494 3.494 3.960 0.047 0.000 0.244 19 G HA3 -0.494 3.442 3.960 -0.040 0.000 0.244 19 G C -1.382 173.589 174.900 0.119 0.000 1.062 19 G CA 0.211 45.334 45.100 0.039 0.000 0.798 19 G HN 0.207 8.345 8.290 0.059 0.187 0.496 20 R N -1.989 118.526 120.500 0.024 0.000 2.803 20 R HA 0.314 4.612 4.340 -0.070 0.000 0.276 20 R C -1.916 174.210 176.300 -0.290 0.000 0.978 20 R CA -1.819 54.165 56.100 -0.193 0.000 0.939 20 R CB 3.220 33.207 30.300 -0.522 0.000 1.179 20 R HN -0.002 8.333 8.270 0.011 -0.058 0.472 21 L N 2.658 123.680 121.223 -0.334 0.000 2.353 21 L HA 0.376 4.507 4.340 -0.348 0.000 0.269 21 L C 0.431 177.094 176.870 -0.346 0.000 1.085 21 L CA -2.818 51.812 54.840 -0.350 0.000 0.938 21 L CB -2.094 39.766 42.059 -0.332 0.000 1.312 21 L HN 0.741 8.811 8.230 -0.267 0.000 0.429 22 F N 4.915 124.693 119.950 -0.287 0.000 2.154 22 F HA -0.542 3.705 4.527 -0.467 0.000 0.301 22 F C 1.525 176.876 175.800 -0.749 0.000 1.087 22 F CA 4.983 62.667 58.000 -0.527 0.000 1.274 22 F CB -0.184 38.506 39.000 -0.516 0.000 1.009 22 F HN -0.256 7.935 8.300 -0.181 0.000 0.485 23 Q N -1.789 117.846 119.800 -0.275 0.000 2.096 23 Q HA -0.376 3.864 4.340 -0.166 0.000 0.204 23 Q C 2.558 178.489 176.000 -0.115 0.000 0.982 23 Q CA 3.232 58.931 55.803 -0.173 0.000 0.850 23 Q CB -0.954 27.746 28.738 -0.063 0.000 0.901 23 Q HN -0.012 8.152 8.270 -0.163 0.008 0.422 24 V N 0.266 120.105 119.914 -0.125 0.000 2.490 24 V HA -0.468 3.639 4.120 -0.021 0.000 0.250 24 V C 1.323 177.385 176.094 -0.053 0.000 1.061 24 V CA 3.832 66.091 62.300 -0.067 0.000 1.064 24 V CB -0.031 31.745 31.823 -0.078 0.000 0.670 24 V HN -0.474 7.617 8.190 -0.165 0.000 0.461 25 E N 0.493 120.619 120.200 -0.124 0.000 2.015 25 E HA -0.337 4.002 4.350 -0.018 0.000 0.191 25 E C 2.752 179.416 176.600 0.106 0.000 0.991 25 E CA 3.219 59.588 56.400 -0.051 0.000 0.802 25 E CB -0.515 29.119 29.700 -0.110 0.000 0.759 25 E HN -0.425 7.698 8.360 -0.211 0.111 0.447 26 Y N -1.330 119.021 120.300 0.085 0.000 2.256 26 Y HA -0.327 4.262 4.550 0.064 0.000 0.288 26 Y C 2.223 178.146 175.900 0.038 0.000 1.155 26 Y CA 0.522 58.660 58.100 0.063 0.000 1.203 26 Y CB -1.533 36.963 38.460 0.060 0.000 0.980 26 Y HN 0.377 8.481 8.280 -0.293 0.000 0.530 27 A N -0.840 122.081 122.820 0.168 0.000 1.858 27 A HA -0.436 3.943 4.320 0.099 0.000 0.216 27 A C 1.726 179.359 177.584 0.082 0.000 1.190 27 A CA 3.008 55.105 52.037 0.100 0.000 0.617 27 A CB -0.678 18.360 19.000 0.065 0.000 0.827 27 A HN 0.091 8.228 8.150 0.128 0.090 0.443 28 R N -2.634 117.910 120.500 0.074 0.000 2.119 28 R HA -0.464 3.902 4.340 0.044 0.000 0.246 28 R C 2.664 179.002 176.300 0.063 0.000 1.146 28 R CA 3.465 59.600 56.100 0.058 0.000 0.962 28 R CB -0.427 29.904 30.300 0.051 0.000 0.863 28 R HN -0.460 7.782 8.270 0.070 0.070 0.442 29 E N -1.634 118.621 120.200 0.092 0.000 2.070 29 E HA -0.328 4.060 4.350 0.065 0.000 0.197 29 E C 2.046 178.675 176.600 0.047 0.000 1.004 29 E CA 2.765 59.211 56.400 0.075 0.000 0.805 29 E CB -0.808 28.948 29.700 0.094 0.000 0.744 29 E HN -0.481 7.864 8.360 0.127 0.091 0.451 30 A N -2.407 120.443 122.820 0.050 0.000 1.948 30 A HA -0.191 4.142 4.320 0.022 0.000 0.220 30 A C 2.571 180.168 177.584 0.020 0.000 1.177 30 A CA 2.786 54.842 52.037 0.031 0.000 0.636 30 A CB -0.827 18.194 19.000 0.034 0.000 0.815 30 A HN -0.279 7.837 8.150 0.070 0.076 0.449 31 V N -4.949 114.978 119.914 0.022 0.000 2.809 31 V HA -0.339 3.783 4.120 0.003 0.000 0.256 31 V C 0.949 177.044 176.094 0.003 0.000 1.080 31 V CA 2.879 65.184 62.300 0.008 0.000 1.102 31 V CB 0.101 31.928 31.823 0.006 0.000 0.705 31 V HN -0.635 7.460 8.190 0.033 0.114 0.475 32 K N -0.028 120.379 120.400 0.012 0.000 2.211 32 K HA -0.232 4.090 4.320 0.003 0.000 0.203 32 K C 1.776 178.378 176.600 0.004 0.000 1.050 32 K CA 3.063 59.355 56.287 0.009 0.000 0.945 32 K CB -0.178 32.334 32.500 0.019 0.000 0.732 32 K HN -0.460 7.675 8.250 0.021 0.128 0.451 33 K N -4.051 116.351 120.400 0.005 0.000 2.458 33 K HA -0.032 4.288 4.320 0.000 0.000 0.194 33 K C 0.551 177.148 176.600 -0.005 0.000 1.024 33 K CA -0.167 56.120 56.287 0.000 0.000 1.108 33 K CB -0.209 32.292 32.500 0.002 0.000 0.846 33 K HN -0.761 7.470 8.250 0.009 0.024 0.518 34 G N -0.324 108.471 108.800 -0.008 0.000 2.580 34 G HA2 0.099 4.052 3.960 -0.013 0.000 0.278 34 G HA3 0.099 4.049 3.960 -0.018 0.000 0.278 34 G C -1.275 173.613 174.900 -0.020 0.000 1.212 34 G CA -1.632 43.460 45.100 -0.015 0.000 0.939 34 G HN -0.673 7.414 8.290 -0.007 0.199 0.513 35 S N -2.086 113.599 115.700 -0.025 0.000 2.587 35 S HA -0.129 4.327 4.470 -0.024 0.000 0.260 35 S C -0.330 174.248 174.600 -0.036 0.000 1.353 35 S CA 0.182 58.365 58.200 -0.028 0.000 0.995 35 S CB 0.587 63.768 63.200 -0.031 0.000 0.912 35 S HN 0.181 8.477 8.310 -0.025 0.000 0.568 36 T N 1.819 116.350 114.554 -0.039 0.000 2.829 36 T HA 0.526 5.012 4.350 -0.050 -0.165 0.282 36 T C -1.844 172.820 174.700 -0.061 0.000 0.990 36 T CA -0.621 61.450 62.100 -0.047 0.000 1.028 36 T CB 1.176 70.020 68.868 -0.040 0.000 0.951 36 T HN 0.199 8.418 8.240 -0.035 0.000 0.460 37 A N 6.688 129.463 122.820 -0.074 0.000 2.609 37 A HA 0.853 5.213 4.320 -0.085 -0.091 0.291 37 A C -3.085 174.437 177.584 -0.103 0.000 1.096 37 A CA -1.012 50.973 52.037 -0.087 0.000 0.684 37 A CB 3.223 22.170 19.000 -0.087 0.000 1.282 37 A HN 0.824 8.929 8.150 -0.075 0.000 0.412 38 L N -6.282 114.877 121.223 -0.107 0.000 2.765 38 L HA 0.888 5.226 4.340 -0.138 -0.081 0.263 38 L C -2.079 174.731 176.870 -0.100 0.000 1.068 38 L CA -1.259 53.510 54.840 -0.119 0.000 0.903 38 L CB 3.597 45.583 42.059 -0.122 0.000 1.512 38 L HN 1.032 9.094 8.230 -0.101 0.107 0.404 39 G N -4.447 104.294 108.800 -0.099 0.000 2.673 39 G HA2 0.787 4.786 3.960 -0.032 0.000 0.292 39 G HA3 0.787 4.737 3.960 -0.038 -0.013 0.292 39 G C -3.322 171.546 174.900 -0.052 0.000 1.450 39 G CA 0.412 45.481 45.100 -0.052 0.000 0.837 39 G HN 0.316 8.529 8.290 -0.129 0.000 0.505 40 M N -3.712 115.898 119.600 0.016 0.000 2.413 40 M HA 0.436 4.879 4.480 -0.062 0.000 0.287 40 M C -1.956 174.413 176.300 0.116 0.000 1.186 40 M CA -0.219 55.099 55.300 0.031 0.000 0.927 40 M CB 4.239 36.891 32.600 0.085 0.000 1.715 40 M HN -0.142 8.182 8.290 0.056 0.000 0.478 41 K N 1.044 121.489 120.400 0.075 0.000 2.270 41 K HA 0.245 4.597 4.320 -0.122 -0.105 0.276 41 K C -0.314 176.417 176.600 0.217 0.000 1.023 41 K CA 1.111 57.416 56.287 0.029 0.000 0.955 41 K CB 1.037 33.547 32.500 0.016 0.000 0.975 41 K HN 0.334 8.598 8.250 0.024 0.000 0.471 42 F N -0.934 119.075 119.950 0.098 0.000 3.231 42 F HA 0.696 5.287 4.527 0.107 0.000 0.338 42 F C 0.635 176.465 175.800 0.049 0.000 1.331 42 F CA -2.790 55.259 58.000 0.082 0.000 1.035 42 F CB 1.077 40.114 39.000 0.060 0.000 1.578 42 F HN 0.444 8.473 8.300 -0.451 0.000 0.500 43 A N 1.163 124.375 122.820 0.653 0.000 1.906 43 A HA -0.415 4.038 4.320 0.222 0.000 0.236 43 A C 0.294 177.981 177.584 0.172 0.000 1.793 43 A CA 2.860 55.121 52.037 0.374 0.000 0.813 43 A CB -0.542 18.701 19.000 0.405 0.000 0.841 43 A HN 0.254 8.830 8.150 0.711 0.000 0.491 44 N N -1.625 117.151 118.700 0.126 0.000 2.547 44 N HA 0.064 4.782 4.740 -0.037 0.000 0.285 44 N C -1.391 174.011 175.510 -0.181 0.000 1.600 44 N CA -0.777 52.261 53.050 -0.020 0.000 0.872 44 N CB 0.705 39.218 38.487 0.044 0.000 1.412 44 N HN 0.073 8.644 8.380 0.318 0.000 0.489 45 G N -1.591 106.865 108.800 -0.573 0.000 2.494 45 G HA2 0.616 4.329 3.960 -0.411 0.000 0.308 45 G HA3 0.616 4.316 3.960 -0.655 -0.133 0.308 45 G C -3.725 170.451 174.900 -1.206 0.000 1.263 45 G CA 0.539 45.195 45.100 -0.741 0.000 0.840 45 G HN -0.926 6.919 8.290 -0.741 0.000 0.479 46 V N -1.332 118.072 119.914 -0.849 0.000 3.012 46 V HA 0.829 4.710 4.120 -0.611 -0.128 0.307 46 V C -2.682 173.358 176.094 -0.089 0.000 1.166 46 V CA -2.849 59.163 62.300 -0.479 0.000 0.974 46 V CB 4.289 36.000 31.823 -0.187 0.000 1.040 46 V HN 0.500 8.326 8.190 -0.608 0.000 0.428 47 L N 1.949 123.268 121.223 0.161 0.000 2.279 47 L HA 0.958 5.495 4.340 0.192 -0.082 0.262 47 L C -2.652 174.281 176.870 0.106 0.000 1.019 47 L CA -2.113 52.844 54.840 0.196 0.000 0.823 47 L CB 3.371 45.560 42.059 0.217 0.000 1.358 47 L HN -0.111 8.219 8.230 0.167 0.000 0.432 48 L N -1.225 120.039 121.223 0.068 0.000 2.401 48 L HA 0.699 5.156 4.340 -0.003 -0.119 0.266 48 L C -2.264 174.563 176.870 -0.072 0.000 0.991 48 L CA -0.814 54.033 54.840 0.011 0.000 0.818 48 L CB 5.094 47.182 42.059 0.048 0.000 1.321 48 L HN 0.948 9.108 8.230 0.066 0.109 0.413 49 I N 4.231 124.746 120.570 -0.092 0.000 2.649 49 I HA 0.895 5.198 4.170 -0.134 -0.213 0.289 49 I C -3.110 172.946 176.117 -0.102 0.000 1.222 49 I CA -1.460 59.766 61.300 -0.124 0.000 1.046 49 I CB 4.256 42.158 38.000 -0.163 0.000 1.272 49 I HN 1.095 9.257 8.210 -0.080 0.000 0.425 50 S N 7.289 122.935 115.700 -0.090 0.000 2.599 50 S HA 0.416 4.926 4.470 -0.079 -0.088 0.294 50 S C -2.071 172.491 174.600 -0.064 0.000 1.094 50 S CA -1.907 56.248 58.200 -0.075 0.000 0.931 50 S CB 2.676 65.836 63.200 -0.067 0.000 1.093 50 S HN 0.988 9.242 8.310 -0.092 0.000 0.488 51 D N 4.023 124.390 120.400 -0.055 0.000 2.339 51 D HA 0.157 4.771 4.640 -0.043 0.000 0.241 51 D C -1.177 175.103 176.300 -0.033 0.000 1.183 51 D CA -0.508 53.467 54.000 -0.043 0.000 0.859 51 D CB 0.875 41.652 40.800 -0.038 0.000 1.067 51 D HN 0.398 8.734 8.370 -0.057 0.000 0.484 52 K N 7.813 128.197 120.400 -0.028 0.000 2.206 52 K HA 0.033 4.340 4.320 -0.022 0.000 0.268 52 K C -1.358 175.234 176.600 -0.014 0.000 1.111 52 K CA -0.554 55.721 56.287 -0.020 0.000 0.955 52 K CB -0.324 32.166 32.500 -0.016 0.000 1.406 52 K HN -0.272 7.961 8.250 -0.028 0.000 0.427 53 K N 5.729 126.121 120.400 -0.014 0.000 2.267 53 K HA 0.049 4.364 4.320 -0.007 0.000 0.282 53 K C -0.846 175.750 176.600 -0.007 0.000 1.078 53 K CA -0.177 56.104 56.287 -0.009 0.000 0.903 53 K CB 0.553 33.047 32.500 -0.010 0.000 1.111 53 K HN -0.269 7.971 8.250 -0.017 0.000 0.475 54 V N 3.498 123.409 119.914 -0.004 0.000 2.732 54 V HA 0.064 4.182 4.120 -0.004 0.000 0.310 54 V C -0.987 175.106 176.094 -0.002 0.000 1.053 54 V CA -0.733 61.565 62.300 -0.003 0.000 0.957 54 V CB 1.582 33.404 31.823 -0.001 0.000 1.018 54 V HN 0.185 8.374 8.190 -0.003 0.000 0.452 55 R N 4.214 124.713 120.500 -0.002 0.000 1.776 55 R HA 0.123 4.463 4.340 -0.001 0.000 0.146 55 R C -0.313 175.987 176.300 -0.000 0.000 2.057 55 R CA 0.241 56.340 56.100 -0.001 0.000 1.641 55 R CB 0.195 30.494 30.300 -0.002 0.000 1.256 55 R HN 0.127 8.396 8.270 -0.002 0.000 0.478 56 S N -1.060 114.640 115.700 -0.000 0.000 2.584 56 S HA 0.141 4.611 4.470 0.001 0.000 0.270 56 S C 1.771 176.372 174.600 0.001 0.000 1.346 56 S CA -0.404 57.797 58.200 0.001 0.000 1.018 56 S CB 0.671 63.871 63.200 0.000 0.000 0.899 56 S HN -0.067 8.243 8.310 -0.001 0.000 0.542 57 R N 2.194 122.695 120.500 0.002 0.000 2.115 57 R HA -0.143 4.198 4.340 0.003 0.000 0.226 57 R C 0.833 177.135 176.300 0.002 0.000 1.100 57 R CA 1.578 57.679 56.100 0.002 0.000 0.980 57 R CB -0.269 30.032 30.300 0.002 0.000 0.875 57 R HN 0.501 8.772 8.270 0.001 0.000 0.445 58 L N -3.029 118.194 121.223 0.002 0.000 2.633 58 L HA -0.108 4.233 4.340 0.002 0.000 0.235 58 L C 0.236 177.107 176.870 0.001 0.000 1.163 58 L CA 0.468 55.309 54.840 0.001 0.000 0.859 58 L CB -0.732 41.328 42.059 0.001 0.000 0.973 58 L HN -0.427 7.771 8.230 0.001 0.034 0.451 59 I N -1.303 119.268 120.570 0.001 0.000 2.532 59 I HA -0.046 4.125 4.170 0.001 0.000 0.292 59 I C 1.064 177.182 176.117 0.002 0.000 1.014 59 I CA -1.155 60.146 61.300 0.001 0.000 1.340 59 I CB 0.166 38.166 38.000 0.000 0.000 1.422 59 I HN -0.944 7.189 8.210 0.001 0.077 0.528 60 E N 7.652 127.853 120.200 0.002 0.000 2.594 60 E HA 0.027 4.378 4.350 0.003 0.000 0.300 60 E C -0.141 176.460 176.600 0.003 0.000 1.568 60 E CA -0.793 55.609 56.400 0.002 0.000 1.811 60 E CB -2.042 27.659 29.700 0.002 0.000 1.458 60 E HN 0.481 8.842 8.360 0.001 0.000 0.470 61 Q N 0.928 120.730 119.800 0.003 0.000 2.478 61 Q HA -0.683 3.659 4.340 0.003 0.000 0.462 61 Q C 0.705 176.707 176.000 0.003 0.000 0.601 61 Q CA 2.273 58.078 55.803 0.004 0.000 0.953 61 Q CB -1.933 26.809 28.738 0.006 0.000 2.612 61 Q HN 0.182 8.357 8.270 0.003 0.096 1.022 62 N N 1.462 120.166 118.700 0.006 0.000 2.165 62 N HA -0.459 4.284 4.740 0.006 0.000 0.198 62 N C 1.644 177.155 175.510 0.002 0.000 0.999 62 N CA 2.777 55.830 53.050 0.005 0.000 0.893 62 N CB -0.459 38.034 38.487 0.009 0.000 1.025 62 N HN 0.258 8.642 8.380 0.008 0.000 0.456 63 S N 0.341 116.042 115.700 0.002 0.000 2.441 63 S HA -0.313 4.157 4.470 0.000 0.000 0.242 63 S C 1.222 175.821 174.600 -0.003 0.000 1.018 63 S CA 2.903 61.103 58.200 0.000 0.000 0.988 63 S CB 0.014 63.215 63.200 0.001 0.000 0.778 63 S HN -0.247 8.031 8.310 0.003 0.034 0.498 64 I N 1.152 121.720 120.570 -0.004 0.000 2.664 64 I HA -0.027 4.139 4.170 -0.007 0.000 0.291 64 I C -2.172 173.939 176.117 -0.011 0.000 1.120 64 I CA -1.581 59.715 61.300 -0.007 0.000 1.503 64 I CB -0.440 37.556 38.000 -0.006 0.000 1.506 64 I HN -0.318 7.840 8.210 -0.002 0.050 0.621 65 E N 3.449 123.641 120.200 -0.012 0.000 2.324 65 E HA -0.139 4.483 4.350 -0.016 -0.282 0.271 65 E C -0.541 176.043 176.600 -0.025 0.000 1.028 65 E CA 0.197 56.587 56.400 -0.018 0.000 0.890 65 E CB 0.046 29.735 29.700 -0.017 0.000 1.004 65 E HN -0.561 7.718 8.360 -0.009 0.075 0.431 66 K N 3.595 123.976 120.400 -0.033 0.000 2.276 66 K HA 0.065 4.362 4.320 -0.039 0.000 0.198 66 K C 0.250 176.817 176.600 -0.056 0.000 1.052 66 K CA 0.840 57.101 56.287 -0.042 0.000 0.984 66 K CB 1.417 33.892 32.500 -0.043 0.000 0.836 66 K HN 0.219 8.981 8.250 -0.031 -0.530 0.490 67 I N 0.311 120.846 120.570 -0.058 0.000 2.312 67 I HA -0.096 4.138 4.170 -0.085 -0.115 0.291 67 I C -0.787 175.280 176.117 -0.082 0.000 1.031 67 I CA 0.179 61.433 61.300 -0.076 0.000 1.293 67 I CB -0.037 37.919 38.000 -0.074 0.000 1.403 67 I HN -0.302 8.253 8.210 -0.048 -0.375 0.484 68 Q N 7.562 127.308 119.800 -0.089 0.000 2.353 68 Q HA 0.376 4.670 4.340 -0.076 0.000 0.268 68 Q C -1.397 174.539 176.000 -0.106 0.000 1.045 68 Q CA -1.903 53.853 55.803 -0.079 0.000 0.811 68 Q CB 4.025 32.737 28.738 -0.043 0.000 1.305 68 Q HN 0.790 9.005 8.270 -0.092 0.000 0.447 69 L N 3.002 124.157 121.223 -0.112 0.000 2.326 69 L HA -0.005 4.209 4.340 -0.210 0.000 0.278 69 L C 0.324 177.165 176.870 -0.047 0.000 1.092 69 L CA 0.466 55.228 54.840 -0.130 0.000 0.810 69 L CB 0.728 42.713 42.059 -0.124 0.000 1.153 69 L HN 0.628 8.806 8.230 -0.087 0.000 0.439 70 I N 0.610 121.168 120.570 -0.020 0.000 3.708 70 I HA -0.000 4.177 4.170 0.012 0.000 0.302 70 I C -0.771 175.354 176.117 0.014 0.000 1.255 70 I CA 1.002 62.310 61.300 0.013 0.000 1.362 70 I CB 1.025 39.047 38.000 0.037 0.000 1.100 70 I HN 0.710 8.898 8.210 -0.037 0.000 0.434 71 D N -1.963 118.455 120.400 0.030 0.000 2.783 71 D HA -0.014 4.661 4.640 0.058 0.000 0.253 71 D C -1.530 174.834 176.300 0.107 0.000 1.206 71 D CA -0.187 53.858 54.000 0.076 0.000 0.740 71 D CB 1.897 42.759 40.800 0.102 0.000 1.313 71 D HN -0.627 7.751 8.370 0.013 0.000 0.427 72 D N 1.409 121.883 120.400 0.122 0.000 2.254 72 D HA -0.329 4.303 4.640 -0.014 0.000 0.201 72 D C 1.125 177.392 176.300 -0.055 0.000 0.998 72 D CA 3.216 57.221 54.000 0.009 0.000 0.885 72 D CB -0.056 40.700 40.800 -0.073 0.000 0.915 72 D HN 0.467 8.917 8.370 0.133 0.000 0.460 73 Y N -5.852 114.555 120.300 0.179 0.000 2.481 73 Y HA 0.024 4.737 4.550 0.271 0.000 0.247 73 Y C -1.324 174.767 175.900 0.318 0.000 1.151 73 Y CA -0.627 57.609 58.100 0.228 0.000 1.238 73 Y CB 0.392 38.913 38.460 0.102 0.000 1.179 73 Y HN -0.474 8.385 8.280 0.450 -0.309 0.524 74 V N -0.981 119.156 119.914 0.371 0.000 2.777 74 V HA 0.512 5.047 4.120 0.463 -0.138 0.306 74 V C -2.812 173.317 176.094 0.059 0.000 1.112 74 V CA -1.914 60.558 62.300 0.286 0.000 0.917 74 V CB 3.574 35.506 31.823 0.181 0.000 1.018 74 V HN -0.018 8.217 8.190 0.263 0.113 0.426 75 A N 6.971 129.785 122.820 -0.010 0.000 2.483 75 A HA 0.931 5.263 4.320 -0.100 -0.072 0.286 75 A C -2.888 174.735 177.584 0.065 0.000 1.207 75 A CA -2.325 49.626 52.037 -0.143 0.000 0.764 75 A CB 4.162 22.823 19.000 -0.566 0.000 1.341 75 A HN 0.750 9.000 8.150 0.167 0.000 0.428 76 A N -2.787 120.028 122.820 -0.008 0.000 2.574 76 A HA 1.124 5.592 4.320 -0.095 -0.205 0.297 76 A C -2.932 174.573 177.584 -0.132 0.000 1.062 76 A CA -1.051 50.936 52.037 -0.082 0.000 0.686 76 A CB 3.945 22.860 19.000 -0.141 0.000 1.285 76 A HN 0.750 8.861 8.150 -0.066 0.000 0.403 77 V N 1.629 121.438 119.914 -0.175 0.000 2.735 77 V HA 0.859 5.083 4.120 -0.114 -0.172 0.310 77 V C -2.019 173.972 176.094 -0.172 0.000 1.061 77 V CA -2.576 59.640 62.300 -0.139 0.000 0.913 77 V CB 3.726 35.482 31.823 -0.110 0.000 1.005 77 V HN 0.313 8.366 8.190 -0.228 0.000 0.428 78 T N 7.902 122.378 114.554 -0.130 0.000 2.901 78 T HA 0.624 4.985 4.350 -0.156 -0.105 0.293 78 T C -1.557 173.093 174.700 -0.084 0.000 1.084 78 T CA -1.919 60.107 62.100 -0.123 0.000 1.008 78 T CB 1.465 70.268 68.868 -0.108 0.000 1.170 78 T HN -0.072 8.107 8.240 -0.102 0.000 0.509 79 S N 2.242 117.899 115.700 -0.073 0.000 2.533 79 S HA 0.358 4.803 4.470 -0.042 0.000 0.271 79 S C -1.635 172.947 174.600 -0.031 0.000 1.143 79 S CA -0.111 58.060 58.200 -0.049 0.000 0.891 79 S CB 2.334 65.503 63.200 -0.052 0.000 1.105 79 S HN 0.835 9.097 8.310 -0.081 0.000 0.468 80 G N 3.882 112.671 108.800 -0.018 0.000 2.225 80 G HA2 -0.104 4.014 3.960 -0.002 0.000 0.203 80 G HA3 -0.104 3.990 3.960 0.001 -0.134 0.203 80 G C -2.214 172.687 174.900 0.000 0.000 1.335 80 G CA -0.289 44.809 45.100 -0.004 0.000 1.183 80 G HN 0.047 8.325 8.290 -0.020 0.000 0.488 81 L N 3.526 124.755 121.223 0.009 0.000 2.500 81 L HA 0.213 4.555 4.340 0.004 0.000 0.272 81 L C 0.900 177.776 176.870 0.010 0.000 1.149 81 L CA -0.507 54.338 54.840 0.009 0.000 0.897 81 L CB -1.104 40.962 42.059 0.012 0.000 1.178 81 L HN 0.202 8.441 8.230 0.016 0.000 0.473 82 V N 8.483 128.399 119.914 0.004 0.000 2.252 82 V HA -0.506 3.613 4.120 -0.001 0.000 0.249 82 V C 1.069 177.170 176.094 0.012 0.000 1.056 82 V CA 4.277 66.579 62.300 0.003 0.000 1.022 82 V CB 0.129 31.952 31.823 -0.000 0.000 0.641 82 V HN 0.497 8.688 8.190 0.001 0.000 0.445 83 A N -2.711 120.118 122.820 0.014 0.000 1.865 83 A HA -0.326 4.007 4.320 0.021 0.000 0.217 83 A C 1.511 179.120 177.584 0.042 0.000 1.191 83 A CA 3.478 55.528 52.037 0.021 0.000 0.623 83 A CB -1.012 17.995 19.000 0.012 0.000 0.826 83 A HN 0.196 8.351 8.150 0.009 0.000 0.444 84 D N -0.389 120.041 120.400 0.051 0.000 2.149 84 D HA -0.332 4.398 4.640 0.151 0.000 0.198 84 D C 2.002 178.376 176.300 0.123 0.000 0.990 84 D CA 3.140 57.214 54.000 0.123 0.000 0.839 84 D CB -0.621 40.255 40.800 0.126 0.000 0.948 84 D HN -0.265 8.123 8.370 0.030 0.000 0.460 85 A N 0.709 123.563 122.820 0.057 0.000 1.845 85 A HA -0.358 3.964 4.320 0.004 0.000 0.215 85 A C 1.343 178.941 177.584 0.023 0.000 1.195 85 A CA 3.185 55.233 52.037 0.019 0.000 0.616 85 A CB -0.395 18.602 19.000 -0.005 0.000 0.832 85 A HN -0.073 8.103 8.150 0.043 0.000 0.443 86 R N -0.694 119.823 120.500 0.029 0.000 2.122 86 R HA -0.381 3.973 4.340 0.023 0.000 0.236 86 R C 1.961 178.292 176.300 0.053 0.000 1.129 86 R CA 3.296 59.416 56.100 0.033 0.000 0.925 86 R CB -0.127 30.190 30.300 0.029 0.000 0.850 86 R HN -0.223 8.063 8.270 0.026 0.000 0.431 87 V N -0.725 119.230 119.914 0.070 0.000 2.324 87 V HA -0.380 3.793 4.120 0.088 0.000 0.250 87 V C 1.359 177.508 176.094 0.091 0.000 1.060 87 V CA 3.746 66.102 62.300 0.093 0.000 1.042 87 V CB -0.124 31.770 31.823 0.118 0.000 0.650 87 V HN -0.263 7.968 8.190 0.068 0.000 0.450 88 L N -0.531 120.714 121.223 0.037 0.000 2.046 88 L HA -0.330 3.923 4.340 -0.145 0.000 0.208 88 L C 2.143 179.072 176.870 0.099 0.000 1.077 88 L CA 3.138 57.948 54.840 -0.050 0.000 0.747 88 L CB -0.423 41.533 42.059 -0.173 0.000 0.896 88 L HN -0.524 7.654 8.230 0.051 0.082 0.432 89 V N 0.218 120.183 119.914 0.084 0.000 2.295 89 V HA -0.597 3.617 4.120 0.156 0.000 0.246 89 V C 2.112 178.271 176.094 0.108 0.000 1.049 89 V CA 5.246 67.609 62.300 0.107 0.000 1.024 89 V CB -1.007 30.851 31.823 0.057 0.000 0.648 89 V HN 0.477 8.606 8.190 0.052 0.092 0.447 90 D N -0.211 120.245 120.400 0.093 0.000 2.149 90 D HA -0.331 4.336 4.640 0.045 0.000 0.198 90 D C 2.164 178.515 176.300 0.086 0.000 0.990 90 D CA 3.683 57.728 54.000 0.075 0.000 0.839 90 D CB -0.355 40.487 40.800 0.071 0.000 0.948 90 D HN 0.006 8.427 8.370 0.084 0.000 0.460 91 F N 0.852 120.799 119.950 -0.006 0.000 2.069 91 F HA -0.468 4.054 4.527 -0.008 0.000 0.298 91 F C 0.690 176.476 175.800 -0.023 0.000 1.113 91 F CA 3.611 61.601 58.000 -0.017 0.000 1.214 91 F CB -0.091 38.883 39.000 -0.043 0.000 0.978 91 F HN -0.163 8.288 8.300 0.261 0.005 0.474 92 A N -0.326 122.530 122.820 0.061 0.000 1.892 92 A HA -0.517 3.696 4.320 -0.178 0.000 0.218 92 A C 1.980 179.471 177.584 -0.155 0.000 1.188 92 A CA 3.297 55.292 52.037 -0.069 0.000 0.631 92 A CB -0.780 18.280 19.000 0.099 0.000 0.822 92 A HN -0.003 8.310 8.150 0.271 0.000 0.447 93 R N -1.897 118.561 120.500 -0.071 0.000 2.097 93 R HA -0.365 3.945 4.340 -0.051 0.000 0.236 93 R C 2.688 178.919 176.300 -0.114 0.000 1.135 93 R CA 3.601 59.662 56.100 -0.066 0.000 0.934 93 R CB 0.036 30.322 30.300 -0.023 0.000 0.846 93 R HN -0.171 8.032 8.270 -0.006 0.063 0.431 94 I N -3.261 117.220 120.570 -0.149 0.000 2.226 94 I HA -0.414 3.691 4.170 -0.107 0.000 0.245 94 I C 1.394 177.375 176.117 -0.228 0.000 1.100 94 I CA 3.800 65.003 61.300 -0.161 0.000 1.374 94 I CB -0.402 37.511 38.000 -0.145 0.000 1.057 94 I HN -0.103 8.026 8.210 -0.136 0.000 0.413 95 S N 0.818 116.285 115.700 -0.388 0.000 2.387 95 S HA -0.494 3.751 4.470 -0.375 0.000 0.230 95 S C 2.148 176.611 174.600 -0.229 0.000 1.035 95 S CA 3.604 61.560 58.200 -0.407 0.000 1.014 95 S CB -0.217 62.600 63.200 -0.637 0.000 0.836 95 S HN 0.229 8.242 8.310 -0.494 0.000 0.466 96 A N 1.095 123.800 122.820 -0.192 0.000 1.877 96 A HA -0.392 3.852 4.320 -0.127 0.000 0.216 96 A C 1.993 179.526 177.584 -0.086 0.000 1.186 96 A CA 3.116 55.078 52.037 -0.125 0.000 0.620 96 A CB -0.665 18.275 19.000 -0.099 0.000 0.822 96 A HN 0.276 8.103 8.150 -0.210 0.198 0.443 97 Q N -1.871 117.879 119.800 -0.084 0.000 2.096 97 Q HA -0.413 3.903 4.340 -0.040 0.000 0.204 97 Q C 2.787 178.751 176.000 -0.060 0.000 0.982 97 Q CA 2.648 58.415 55.803 -0.059 0.000 0.850 97 Q CB -0.808 27.896 28.738 -0.056 0.000 0.901 97 Q HN -0.348 7.802 8.270 -0.098 0.061 0.422 98 Q N -0.579 119.172 119.800 -0.083 0.000 2.014 98 Q HA -0.433 3.863 4.340 -0.072 0.000 0.207 98 Q C 2.119 178.088 176.000 -0.051 0.000 0.993 98 Q CA 3.396 59.153 55.803 -0.076 0.000 0.850 98 Q CB -0.412 28.269 28.738 -0.094 0.000 0.916 98 Q HN 0.223 8.428 8.270 -0.109 0.000 0.417 99 E N -0.577 119.609 120.200 -0.024 0.000 2.118 99 E HA -0.390 4.026 4.350 0.109 0.000 0.195 99 E C 2.330 178.971 176.600 0.067 0.000 0.992 99 E CA 2.927 59.366 56.400 0.065 0.000 0.804 99 E CB -0.281 29.461 29.700 0.070 0.000 0.741 99 E HN -0.630 7.700 8.360 -0.051 0.000 0.458 100 K N -0.923 119.484 120.400 0.012 0.000 2.026 100 K HA -0.298 4.036 4.320 0.024 0.000 0.208 100 K C 2.899 179.496 176.600 -0.006 0.000 1.048 100 K CA 3.162 59.453 56.287 0.007 0.000 0.929 100 K CB 0.045 32.539 32.500 -0.010 0.000 0.713 100 K HN -0.571 7.596 8.250 -0.012 0.075 0.439 101 V N -0.863 119.033 119.914 -0.030 0.000 2.809 101 V HA -0.233 3.867 4.120 -0.034 0.000 0.256 101 V C 1.425 177.472 176.094 -0.079 0.000 1.080 101 V CA 2.595 64.868 62.300 -0.046 0.000 1.102 101 V CB -0.098 31.696 31.823 -0.048 0.000 0.705 101 V HN 0.115 8.284 8.190 -0.034 0.000 0.475 102 T N 0.484 114.965 114.554 -0.122 0.000 2.925 102 T HA -0.117 4.112 4.350 -0.201 0.000 0.245 102 T C 1.280 175.800 174.700 -0.299 0.000 1.025 102 T CA 2.344 64.292 62.100 -0.253 0.000 1.149 102 T CB 0.735 69.366 68.868 -0.395 0.000 0.866 102 T HN -0.247 7.914 8.240 -0.094 0.022 0.437 103 Y N -0.860 119.418 120.300 -0.037 0.000 2.517 103 Y HA 0.050 4.582 4.550 -0.031 0.000 0.281 103 Y C 0.817 176.695 175.900 -0.036 0.000 1.125 103 Y CA 0.782 58.861 58.100 -0.035 0.000 1.283 103 Y CB 0.655 39.091 38.460 -0.040 0.000 1.042 103 Y HN -0.182 8.074 8.280 -0.039 0.000 0.547 104 G N -2.376 106.470 108.800 0.075 0.000 2.195 104 G HA2 -0.409 3.615 3.960 0.010 0.000 0.246 104 G HA3 -0.409 3.570 3.960 0.032 0.000 0.246 104 G C -0.636 174.280 174.900 0.026 0.000 0.984 104 G CA -0.021 45.099 45.100 0.034 0.000 0.633 104 G HN -0.166 8.024 8.290 0.044 0.127 0.525 105 S N -1.369 114.360 115.700 0.049 0.000 2.560 105 S HA 0.062 4.519 4.470 -0.022 0.000 0.283 105 S C -1.645 172.951 174.600 -0.007 0.000 1.141 105 S CA -0.293 57.906 58.200 -0.002 0.000 0.902 105 S CB 1.575 64.757 63.200 -0.030 0.000 1.104 105 S HN -0.427 7.875 8.310 0.112 0.075 0.454 106 L N 8.785 129.984 121.223 -0.040 0.000 2.395 106 L HA 0.190 4.713 4.340 -0.043 -0.208 0.268 106 L C -0.626 176.196 176.870 -0.080 0.000 1.223 106 L CA -0.956 53.852 54.840 -0.054 0.000 1.093 106 L CB -1.460 40.566 42.059 -0.055 0.000 1.349 106 L HN 0.499 8.696 8.230 -0.055 0.000 0.427 107 V N 5.409 125.268 119.914 -0.092 0.000 2.261 107 V HA -0.226 3.842 4.120 -0.088 0.000 0.246 107 V C -1.075 174.968 176.094 -0.085 0.000 1.047 107 V CA 2.324 64.566 62.300 -0.097 0.000 1.015 107 V CB 0.714 32.465 31.823 -0.120 0.000 0.642 107 V HN -0.335 7.870 8.190 -0.096 -0.072 0.446 108 N N -3.122 115.518 118.700 -0.100 0.000 2.443 108 N HA 0.283 5.269 4.740 -0.054 -0.279 0.269 108 N C 1.165 176.608 175.510 -0.111 0.000 0.985 108 N CA -2.048 50.951 53.050 -0.084 0.000 0.921 108 N CB 0.651 39.087 38.487 -0.084 0.000 1.195 108 N HN -0.678 7.629 8.380 -0.122 0.000 0.492 109 I N 6.828 127.341 120.570 -0.095 0.000 2.394 109 I HA -0.380 3.694 4.170 -0.160 0.000 0.251 109 I C 0.260 176.184 176.117 -0.322 0.000 1.136 109 I CA 2.386 63.593 61.300 -0.155 0.000 1.425 109 I CB 0.357 38.320 38.000 -0.062 0.000 1.079 109 I HN 0.212 8.687 8.210 -0.046 -0.292 0.425 110 E N 0.190 120.184 120.200 -0.344 0.000 2.130 110 E HA -0.515 3.032 4.350 -1.339 0.000 0.196 110 E C 1.719 178.067 176.600 -0.419 0.000 0.998 110 E CA 3.685 59.715 56.400 -0.616 0.000 0.806 110 E CB -0.534 29.020 29.700 -0.244 0.000 0.738 110 E HN 0.433 8.979 8.360 -0.171 -0.288 0.459 111 N N -0.857 117.689 118.700 -0.257 0.000 2.142 111 N HA -0.245 4.397 4.740 -0.164 0.000 0.186 111 N C 2.161 177.542 175.510 -0.215 0.000 1.023 111 N CA 2.943 55.878 53.050 -0.192 0.000 0.852 111 N CB 0.075 38.480 38.487 -0.137 0.000 0.998 111 N HN -0.674 7.461 8.380 -0.214 0.117 0.424 112 L N 0.251 121.314 121.223 -0.266 0.000 2.013 112 L HA -0.279 3.926 4.340 -0.225 0.000 0.212 112 L C 1.334 177.971 176.870 -0.388 0.000 1.073 112 L CA 3.015 57.672 54.840 -0.304 0.000 0.753 112 L CB -0.513 41.336 42.059 -0.351 0.000 0.890 112 L HN -0.581 7.401 8.230 -0.265 0.090 0.432 113 V N -1.161 118.430 119.914 -0.539 0.000 2.358 113 V HA -0.506 3.211 4.120 -0.672 0.000 0.246 113 V C 1.319 177.300 176.094 -0.188 0.000 1.047 113 V CA 3.360 65.357 62.300 -0.505 0.000 1.035 113 V CB -0.356 31.192 31.823 -0.459 0.000 0.658 113 V HN -0.620 7.231 8.190 -0.565 0.000 0.452 114 K N -0.285 120.007 120.400 -0.181 0.000 2.074 114 K HA -0.447 3.854 4.320 -0.030 0.000 0.209 114 K C 2.320 178.912 176.600 -0.013 0.000 1.048 114 K CA 4.219 60.465 56.287 -0.069 0.000 0.926 114 K CB -0.393 32.066 32.500 -0.068 0.000 0.713 114 K HN -0.221 7.805 8.250 -0.265 0.065 0.444 115 R N -1.146 119.344 120.500 -0.018 0.000 2.070 115 R HA -0.319 4.070 4.340 0.082 0.000 0.233 115 R C 2.132 178.539 176.300 0.177 0.000 1.137 115 R CA 3.419 59.566 56.100 0.078 0.000 0.945 115 R CB -0.102 30.236 30.300 0.065 0.000 0.845 115 R HN -0.305 7.919 8.270 -0.078 0.000 0.430 116 V N -0.678 119.346 119.914 0.184 0.000 2.490 116 V HA -0.371 3.943 4.120 0.324 0.000 0.250 116 V C 1.102 177.215 176.094 0.031 0.000 1.061 116 V CA 2.305 64.730 62.300 0.209 0.000 1.064 116 V CB -0.593 31.380 31.823 0.249 0.000 0.670 116 V HN -0.652 7.576 8.190 0.062 0.000 0.461 117 A N 0.953 123.808 122.820 0.058 0.000 1.858 117 A HA -0.284 4.062 4.320 0.042 0.000 0.216 117 A C 1.795 179.397 177.584 0.031 0.000 1.190 117 A CA 3.238 55.303 52.037 0.047 0.000 0.617 117 A CB -0.570 18.469 19.000 0.065 0.000 0.827 117 A HN 0.305 8.406 8.150 0.061 0.085 0.443 118 D N -1.779 118.649 120.400 0.046 0.000 2.182 118 D HA -0.366 4.316 4.640 0.070 0.000 0.201 118 D C 2.674 179.009 176.300 0.058 0.000 0.986 118 D CA 3.249 57.286 54.000 0.062 0.000 0.847 118 D CB -1.003 39.841 40.800 0.073 0.000 0.942 118 D HN 0.130 8.531 8.370 0.051 0.000 0.467 119 Q N -0.421 119.365 119.800 -0.024 0.000 2.002 119 Q HA -0.302 4.020 4.340 -0.031 0.000 0.204 119 Q C 2.416 178.419 176.000 0.005 0.000 0.988 119 Q CA 2.796 58.524 55.803 -0.125 0.000 0.843 119 Q CB -0.143 28.245 28.738 -0.583 0.000 0.908 119 Q HN -0.241 7.929 8.270 -0.018 0.090 0.420 120 M N -1.165 118.366 119.600 -0.115 0.000 2.080 120 M HA -0.405 4.054 4.480 -0.034 0.000 0.260 120 M C 2.675 179.086 176.300 0.184 0.000 1.068 120 M CA 3.772 59.065 55.300 -0.012 0.000 1.109 120 M CB -0.226 32.330 32.600 -0.073 0.000 1.342 120 M HN -0.460 7.723 8.290 -0.178 0.000 0.405 121 Q N -1.076 118.802 119.800 0.131 0.000 2.234 121 Q HA -0.316 4.090 4.340 0.111 0.000 0.206 121 Q C 3.002 179.114 176.000 0.186 0.000 0.980 121 Q CA 2.905 58.788 55.803 0.132 0.000 0.869 121 Q CB -0.581 28.213 28.738 0.094 0.000 0.912 121 Q HN -0.051 8.267 8.270 0.081 0.000 0.436 122 Q N -0.313 119.650 119.800 0.272 0.000 2.084 122 Q HA -0.294 4.247 4.340 0.335 0.000 0.202 122 Q C 2.107 178.282 176.000 0.292 0.000 0.978 122 Q CA 3.154 59.154 55.803 0.328 0.000 0.844 122 Q CB -0.017 28.888 28.738 0.278 0.000 0.898 122 Q HN -0.380 7.929 8.270 0.258 0.116 0.426 123 Y N -5.057 115.342 120.300 0.165 0.000 2.574 123 Y HA -0.190 4.438 4.550 0.129 0.000 0.294 123 Y C 0.803 176.735 175.900 0.053 0.000 1.142 123 Y CA 1.596 59.767 58.100 0.119 0.000 1.314 123 Y CB -0.704 37.824 38.460 0.113 0.000 0.991 123 Y HN -0.603 8.177 8.280 0.833 0.000 0.555 124 T N -3.373 111.279 114.554 0.163 0.000 3.055 124 T HA -0.158 4.207 4.350 0.026 0.000 0.265 124 T C -0.059 174.598 174.700 -0.070 0.000 1.111 124 T CA 2.899 65.019 62.100 0.032 0.000 1.118 124 T CB 0.618 69.499 68.868 0.021 0.000 0.909 124 T HN -0.478 7.694 8.240 0.205 0.190 0.501 125 Q N -1.275 118.468 119.800 -0.095 0.000 2.143 125 Q HA 0.134 4.352 4.340 -0.203 0.000 0.242 125 Q C 1.459 177.278 176.000 -0.302 0.000 0.790 125 Q CA 0.129 55.794 55.803 -0.229 0.000 0.954 125 Q CB 1.545 30.105 28.738 -0.296 0.000 1.155 125 Q HN -0.555 7.563 8.270 -0.028 0.135 0.474 126 Y N 3.144 123.393 120.300 -0.085 0.000 2.971 126 Y HA -0.182 4.322 4.550 -0.077 0.000 0.384 126 Y C 0.500 176.336 175.900 -0.108 0.000 1.166 126 Y CA 0.721 58.755 58.100 -0.110 0.000 1.973 126 Y CB -2.412 35.950 38.460 -0.164 0.000 2.082 126 Y HN -0.199 8.078 8.280 -0.003 0.000 0.420 127 G N 2.345 111.149 108.800 0.005 0.000 2.661 127 G HA2 -0.460 3.592 3.960 -0.020 0.000 0.327 127 G HA3 -0.460 3.510 3.960 0.017 0.000 0.327 127 G C 0.257 175.154 174.900 -0.005 0.000 1.320 127 G CA -0.344 44.756 45.100 0.001 0.000 0.997 127 G HN -0.361 7.811 8.290 -0.059 0.082 0.543 128 G N 0.683 109.481 108.800 -0.004 0.000 2.554 128 G HA2 -0.135 3.822 3.960 -0.006 0.000 0.280 128 G HA3 -0.135 3.819 3.960 -0.010 0.000 0.280 128 G C -1.220 173.667 174.900 -0.021 0.000 0.635 128 G CA 0.887 45.981 45.100 -0.011 0.000 2.103 128 G HN 0.079 8.371 8.290 0.003 0.000 0.551 129 V N 0.188 120.095 119.914 -0.013 0.000 3.036 129 V HA 0.061 4.185 4.120 0.008 0.000 0.280 129 V C -2.583 173.540 176.094 0.047 0.000 1.497 129 V CA -0.820 61.483 62.300 0.005 0.000 0.982 129 V CB 3.076 34.866 31.823 -0.054 0.000 1.171 129 V HN -0.295 7.855 8.190 -0.006 0.037 0.444 130 R N 7.010 127.537 120.500 0.045 0.000 2.298 130 R HA 0.284 4.640 4.340 0.027 0.000 0.310 130 R C -1.899 174.404 176.300 0.005 0.000 1.068 130 R CA -1.847 54.264 56.100 0.018 0.000 0.957 130 R CB 0.504 30.791 30.300 -0.022 0.000 1.003 130 R HN 0.219 8.506 8.270 0.029 0.000 0.454 131 P HA -0.104 4.400 4.420 0.141 0.000 0.268 131 P C -1.243 176.015 177.300 -0.071 0.000 1.208 131 P CA 0.053 63.179 63.100 0.043 0.000 0.777 131 P CB 0.581 32.318 31.700 0.062 0.000 0.875 132 Y N -0.133 120.114 120.300 -0.089 0.000 2.480 132 Y HA -0.038 4.626 4.550 -0.117 -0.184 0.341 132 Y C 1.588 177.454 175.900 -0.057 0.000 1.031 132 Y CA 0.816 58.844 58.100 -0.120 0.000 1.295 132 Y CB 0.335 38.679 38.460 -0.193 0.000 1.162 132 Y HN 0.279 8.677 8.280 0.197 0.000 0.523 133 G N 6.026 114.870 108.800 0.074 0.000 3.506 133 G HA2 0.033 4.029 3.960 0.059 0.000 0.268 133 G HA3 0.033 4.017 3.960 0.039 0.000 0.268 133 G C -2.720 172.210 174.900 0.049 0.000 0.959 133 G CA -0.267 44.866 45.100 0.055 0.000 1.823 133 G HN 0.439 8.950 8.290 0.031 -0.202 0.615 134 V N 2.111 122.056 119.914 0.051 0.000 3.048 134 V HA 0.818 5.092 4.120 0.007 -0.150 0.303 134 V C -3.026 173.064 176.094 -0.006 0.000 1.214 134 V CA -1.942 60.368 62.300 0.018 0.000 0.984 134 V CB 3.893 35.729 31.823 0.021 0.000 1.054 134 V HN -0.687 7.491 8.190 0.067 0.052 0.430 135 S N 5.336 121.017 115.700 -0.033 0.000 2.526 135 S HA 0.871 5.451 4.470 -0.045 -0.138 0.293 135 S C -1.832 172.704 174.600 -0.106 0.000 1.092 135 S CA -1.273 56.895 58.200 -0.054 0.000 0.980 135 S CB 2.557 65.733 63.200 -0.039 0.000 1.048 135 S HN 0.633 8.922 8.310 -0.035 0.000 0.483 136 L N -2.002 119.123 121.223 -0.163 0.000 2.479 136 L HA 0.795 5.090 4.340 -0.226 -0.090 0.255 136 L C -2.181 174.466 176.870 -0.372 0.000 1.026 136 L CA -0.908 53.764 54.840 -0.281 0.000 0.842 136 L CB 3.477 45.317 42.059 -0.364 0.000 1.444 136 L HN 0.891 9.040 8.230 -0.135 0.000 0.409 137 I N -6.517 113.802 120.570 -0.418 0.000 2.545 137 I HA 0.818 4.948 4.170 -0.273 -0.124 0.292 137 I C -2.122 173.760 176.117 -0.391 0.000 1.040 137 I CA -1.975 59.128 61.300 -0.328 0.000 1.068 137 I CB 3.607 41.507 38.000 -0.167 0.000 1.251 137 I HN 0.613 8.597 8.210 -0.377 0.000 0.424 138 F N 5.099 125.103 119.950 0.090 0.000 2.458 138 F HA 1.011 5.783 4.527 0.055 -0.212 0.330 138 F C -0.968 174.931 175.800 0.165 0.000 1.082 138 F CA -2.738 55.320 58.000 0.097 0.000 0.995 138 F CB 3.540 42.588 39.000 0.080 0.000 1.170 138 F HN 0.620 9.001 8.300 0.135 0.000 0.478 139 A N -0.719 122.315 122.820 0.356 0.000 2.604 139 A HA 1.061 5.771 4.320 0.323 -0.196 0.295 139 A C -1.385 176.405 177.584 0.343 0.000 1.067 139 A CA -0.868 51.351 52.037 0.302 0.000 0.683 139 A CB 3.840 22.966 19.000 0.210 0.000 1.281 139 A HN 0.559 8.914 8.150 0.343 0.000 0.407 140 G N -0.619 108.339 108.800 0.264 0.000 2.341 140 G HA2 0.171 4.237 3.960 0.177 0.000 0.293 140 G HA3 0.171 4.484 3.960 0.365 -0.134 0.293 140 G C -3.220 171.757 174.900 0.130 0.000 1.298 140 G CA 0.754 46.006 45.100 0.253 0.000 0.868 140 G HN 0.535 8.948 8.290 0.206 0.000 0.540 141 I N 1.218 121.852 120.570 0.106 0.000 2.378 141 I HA 0.798 5.168 4.170 0.055 -0.167 0.291 141 I C -2.102 174.070 176.117 0.091 0.000 0.992 141 I CA -1.987 59.355 61.300 0.071 0.000 1.154 141 I CB 2.373 40.384 38.000 0.018 0.000 1.315 141 I HN -0.197 8.105 8.210 0.154 0.000 0.448 142 D N 6.305 126.739 120.400 0.056 0.000 2.668 142 D HA 0.130 4.770 4.640 0.001 0.000 0.249 142 D C -0.721 175.574 176.300 -0.008 0.000 1.150 142 D CA -1.913 52.097 54.000 0.017 0.000 1.090 142 D CB 1.815 42.624 40.800 0.015 0.000 1.244 142 D HN 0.413 8.817 8.370 0.057 0.000 0.636 143 Q N -0.794 118.988 119.800 -0.029 0.000 2.181 143 Q HA -0.234 4.082 4.340 -0.039 0.000 0.205 143 Q C 1.850 177.841 176.000 -0.015 0.000 0.980 143 Q CA 2.282 58.065 55.803 -0.033 0.000 0.862 143 Q CB -0.046 28.664 28.738 -0.047 0.000 0.905 143 Q HN -0.038 8.209 8.270 -0.039 0.000 0.429 144 I N -3.845 116.724 120.570 -0.002 0.000 2.406 144 I HA -0.234 3.936 4.170 0.000 0.000 0.249 144 I C 0.445 176.568 176.117 0.011 0.000 1.122 144 I CA 1.074 62.379 61.300 0.008 0.000 1.431 144 I CB 0.762 38.777 38.000 0.025 0.000 1.087 144 I HN -0.128 8.380 8.210 0.001 -0.297 0.424 145 G N -3.488 105.322 108.800 0.016 0.000 2.339 145 G HA2 -0.067 3.893 3.960 0.000 0.000 0.275 145 G HA3 -0.067 3.895 3.960 0.002 0.000 0.275 145 G C -3.453 171.453 174.900 0.011 0.000 1.323 145 G CA -0.191 44.913 45.100 0.007 0.000 0.927 145 G HN -0.461 8.024 8.290 0.022 -0.182 0.486 146 P HA 0.100 4.600 4.420 -0.034 -0.101 0.271 146 P C -1.907 175.395 177.300 0.004 0.000 1.220 146 P CA 0.216 63.291 63.100 -0.041 0.000 0.768 146 P CB 0.180 31.805 31.700 -0.125 0.000 0.848 147 R N 0.874 121.414 120.500 0.065 0.000 2.795 147 R HA 0.445 4.801 4.340 0.026 0.000 0.275 147 R C -2.024 174.370 176.300 0.155 0.000 0.981 147 R CA -1.539 54.636 56.100 0.126 0.000 0.917 147 R CB 4.745 35.247 30.300 0.336 0.000 1.202 147 R HN 0.994 9.199 8.270 0.078 0.112 0.469 148 L N 1.639 122.880 121.223 0.030 0.000 2.476 148 L HA 0.620 5.245 4.340 0.217 -0.155 0.269 148 L C -2.431 174.388 176.870 -0.086 0.000 0.965 148 L CA -0.173 54.706 54.840 0.065 0.000 0.845 148 L CB 3.489 45.545 42.059 -0.005 0.000 1.259 148 L HN -0.041 8.229 8.230 -0.194 -0.157 0.403 149 F N 5.334 125.391 119.950 0.177 0.000 2.599 149 F HA 1.056 5.959 4.527 0.285 -0.205 0.311 149 F C -1.583 174.310 175.800 0.154 0.000 1.076 149 F CA -1.997 56.138 58.000 0.225 0.000 0.937 149 F CB 4.669 43.816 39.000 0.245 0.000 1.282 149 F HN 1.103 9.707 8.300 0.507 0.000 0.460 150 D N -0.192 120.415 120.400 0.345 0.000 2.419 150 D HA 0.578 5.365 4.640 0.033 -0.128 0.234 150 D C -1.803 174.604 176.300 0.178 0.000 1.014 150 D CA -1.884 52.193 54.000 0.128 0.000 0.919 150 D CB 3.553 44.312 40.800 -0.067 0.000 1.366 150 D HN 0.294 8.944 8.370 0.467 0.000 0.490 151 C N 0.056 119.395 119.300 0.067 0.000 2.608 151 C HA 0.896 5.716 4.460 0.125 -0.285 0.325 151 C C -1.936 173.070 174.990 0.026 0.000 1.147 151 C CA -2.053 57.015 59.018 0.084 0.000 1.359 151 C CB 3.521 31.334 27.740 0.121 0.000 1.912 151 C HN 0.738 8.953 8.230 -0.025 0.000 0.466 152 D N 6.405 126.830 120.400 0.043 0.000 2.384 152 D HA 0.822 5.468 4.640 0.010 0.000 0.250 152 D C -1.047 175.271 176.300 0.031 0.000 1.029 152 D CA -3.289 50.727 54.000 0.028 0.000 0.990 152 D CB -0.538 40.284 40.800 0.037 0.000 1.175 152 D HN -0.128 8.282 8.370 0.067 0.000 0.532 153 P HA -0.161 4.365 4.420 0.058 -0.071 0.220 153 P C -0.647 176.684 177.300 0.052 0.000 1.144 153 P CA 1.898 65.028 63.100 0.049 0.000 0.800 153 P CB 0.094 31.825 31.700 0.051 0.000 0.772 154 A N -7.219 115.624 122.820 0.040 0.000 2.238 154 A HA -0.021 4.320 4.320 0.036 0.000 0.208 154 A C 0.515 178.129 177.584 0.049 0.000 1.177 154 A CA -0.085 51.974 52.037 0.037 0.000 0.804 154 A CB -0.193 18.820 19.000 0.021 0.000 0.823 154 A HN -0.213 8.140 8.150 0.036 -0.182 0.482 155 G N -2.362 106.469 108.800 0.052 0.000 2.141 155 G HA2 -0.342 3.648 3.960 0.050 0.000 0.242 155 G HA3 -0.342 3.653 3.960 0.059 0.000 0.242 155 G C -0.329 174.611 174.900 0.068 0.000 0.982 155 G CA 0.156 45.290 45.100 0.057 0.000 0.662 155 G HN 0.232 8.430 8.290 0.048 0.120 0.527 156 T N 2.637 117.232 114.554 0.069 0.000 2.884 156 T HA 0.012 4.407 4.350 0.075 0.000 0.298 156 T C -1.371 173.398 174.700 0.114 0.000 0.998 156 T CA 1.336 63.484 62.100 0.080 0.000 1.124 156 T CB 0.849 69.759 68.868 0.070 0.000 0.931 156 T HN -0.034 8.407 8.240 0.060 -0.165 0.531 157 I N 4.430 125.079 120.570 0.133 0.000 2.647 157 I HA 0.857 5.417 4.170 0.230 -0.253 0.295 157 I C -2.196 174.048 176.117 0.211 0.000 1.078 157 I CA -2.565 58.855 61.300 0.200 0.000 1.048 157 I CB 3.791 41.907 38.000 0.192 0.000 1.239 157 I HN 0.166 8.442 8.210 0.111 0.000 0.421 158 N N 6.921 125.791 118.700 0.284 0.000 2.708 158 N HA 0.252 5.052 4.740 0.099 0.000 0.257 158 N C -2.810 172.760 175.510 0.101 0.000 1.373 158 N CA -0.513 52.618 53.050 0.136 0.000 0.843 158 N CB 4.004 42.457 38.487 -0.057 0.000 1.503 158 N HN 0.004 8.604 8.380 0.366 0.000 0.504 159 E N 0.015 120.068 120.200 -0.245 0.000 2.179 159 E HA 0.656 4.777 4.350 -0.690 -0.185 0.275 159 E C -1.123 175.234 176.600 -0.406 0.000 0.945 159 E CA -1.345 54.721 56.400 -0.556 0.000 0.792 159 E CB 1.850 31.063 29.700 -0.812 0.000 1.125 159 E HN 0.171 8.392 8.360 -0.233 0.000 0.397 160 Y N 5.659 125.772 120.300 -0.311 0.000 2.659 160 Y HA 0.086 4.533 4.550 -0.171 0.000 0.333 160 Y C -1.368 174.411 175.900 -0.202 0.000 1.064 160 Y CA -0.797 57.180 58.100 -0.206 0.000 1.141 160 Y CB 2.708 41.068 38.460 -0.168 0.000 1.316 160 Y HN 0.248 8.495 8.280 -0.055 0.000 0.509 161 K N -1.656 118.741 120.400 -0.005 0.000 2.308 161 K HA -0.063 4.229 4.320 -0.048 0.000 0.197 161 K C -1.151 175.301 176.600 -0.246 0.000 1.049 161 K CA 0.546 56.775 56.287 -0.096 0.000 0.991 161 K CB 1.140 33.585 32.500 -0.091 0.000 0.836 161 K HN 0.269 8.543 8.250 0.040 0.000 0.500 162 A N -4.796 117.881 122.820 -0.238 0.000 2.590 162 A HA 0.482 4.803 4.320 -0.214 -0.129 0.294 162 A C -2.041 175.419 177.584 -0.208 0.000 1.046 162 A CA -0.282 51.569 52.037 -0.309 0.000 0.684 162 A CB 2.132 20.728 19.000 -0.674 0.000 1.279 162 A HN -0.732 7.376 8.150 -0.069 0.000 0.415 163 T N -0.398 113.998 114.554 -0.264 0.000 2.686 163 T HA 0.182 4.386 4.350 -0.244 0.000 0.308 163 T C -2.788 171.746 174.700 -0.277 0.000 1.667 163 T CA -0.677 61.208 62.100 -0.358 0.000 0.987 163 T CB 1.229 69.528 68.868 -0.950 0.000 1.652 163 T HN 0.617 8.721 8.240 -0.226 0.000 0.496 164 A N -0.213 122.455 122.820 -0.254 0.000 2.567 164 A HA 0.531 4.813 4.320 -0.177 -0.067 0.289 164 A C -3.193 174.290 177.584 -0.168 0.000 1.177 164 A CA -1.137 50.792 52.037 -0.179 0.000 0.694 164 A CB 3.099 22.024 19.000 -0.124 0.000 1.292 164 A HN 0.211 8.191 8.150 -0.283 0.000 0.425 165 I N -2.157 118.339 120.570 -0.124 0.000 3.099 165 I HA 0.214 4.330 4.170 -0.089 0.000 0.308 165 I C -1.573 174.500 176.117 -0.073 0.000 1.405 165 I CA -1.528 59.712 61.300 -0.100 0.000 0.953 165 I CB 4.335 42.264 38.000 -0.118 0.000 1.324 165 I HN 0.653 8.796 8.210 -0.112 0.000 0.495 166 G N 2.459 111.227 108.800 -0.054 0.000 2.445 166 G HA2 -0.365 3.710 3.960 -0.035 0.000 0.212 166 G HA3 -0.365 3.805 3.960 -0.045 -0.237 0.212 166 G C 0.077 174.961 174.900 -0.027 0.000 1.217 166 G CA 0.226 45.302 45.100 -0.040 0.000 1.002 166 G HN -0.305 7.955 8.290 -0.050 0.000 0.574 167 S N 3.403 119.089 115.700 -0.022 0.000 2.349 167 S HA -0.079 4.615 4.470 -0.007 -0.228 0.216 167 S C 2.577 177.170 174.600 -0.011 0.000 1.033 167 S CA 2.458 60.651 58.200 -0.012 0.000 1.021 167 S CB 0.102 63.296 63.200 -0.011 0.000 0.968 167 S HN -0.100 8.195 8.310 -0.025 0.000 0.426 168 G N -0.324 108.467 108.800 -0.015 0.000 3.340 168 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.240 168 G HA3 -0.028 3.925 3.960 -0.012 0.000 0.240 168 G C -0.231 174.661 174.900 -0.014 0.000 1.327 168 G CA -0.391 44.703 45.100 -0.010 0.000 1.170 168 G HN 0.402 8.680 8.290 -0.020 0.000 0.520 169 K N 2.370 122.759 120.400 -0.018 0.000 1.978 169 K HA -0.342 3.953 4.320 -0.041 0.000 0.214 169 K C 0.865 177.462 176.600 -0.005 0.000 1.049 169 K CA 3.636 59.908 56.287 -0.025 0.000 0.939 169 K CB 0.004 32.487 32.500 -0.029 0.000 0.721 169 K HN -0.378 7.761 8.250 -0.016 0.102 0.441 170 D N -0.920 119.485 120.400 0.008 0.000 2.157 170 D HA -0.402 4.253 4.640 0.025 0.000 0.191 170 D C 1.946 178.267 176.300 0.036 0.000 1.004 170 D CA 3.596 57.609 54.000 0.023 0.000 0.854 170 D CB -0.879 39.935 40.800 0.024 0.000 0.936 170 D HN 0.302 8.675 8.370 0.006 0.000 0.446 171 A N -0.332 122.510 122.820 0.036 0.000 1.834 171 A HA -0.198 4.161 4.320 0.065 0.000 0.216 171 A C 2.040 179.675 177.584 0.085 0.000 1.203 171 A CA 2.802 54.874 52.037 0.059 0.000 0.621 171 A CB -0.785 18.245 19.000 0.050 0.000 0.841 171 A HN -0.178 7.981 8.150 0.025 0.006 0.446 172 V N -0.151 119.792 119.914 0.048 0.000 2.380 172 V HA -0.462 3.693 4.120 0.058 0.000 0.251 172 V C 1.637 177.763 176.094 0.053 0.000 1.063 172 V CA 3.982 66.299 62.300 0.028 0.000 1.055 172 V CB 0.231 32.024 31.823 -0.049 0.000 0.657 172 V HN -0.412 7.791 8.190 0.022 0.000 0.455 173 V N -1.167 118.766 119.914 0.032 0.000 2.407 173 V HA -0.601 3.525 4.120 0.010 0.000 0.248 173 V C 1.262 177.407 176.094 0.086 0.000 1.055 173 V CA 4.334 66.654 62.300 0.035 0.000 1.049 173 V CB -0.377 31.456 31.823 0.017 0.000 0.662 173 V HN 0.664 8.746 8.190 0.018 0.119 0.455 174 S N 1.001 116.761 115.700 0.100 0.000 2.355 174 S HA -0.328 4.192 4.470 0.084 0.000 0.222 174 S C 1.750 176.451 174.600 0.168 0.000 1.031 174 S CA 4.092 62.356 58.200 0.106 0.000 0.993 174 S CB -0.360 62.888 63.200 0.079 0.000 0.859 174 S HN -0.331 7.940 8.310 0.087 0.092 0.453 175 F N 2.956 122.921 119.950 0.025 0.000 2.063 175 F HA -0.393 4.153 4.527 0.033 0.000 0.298 175 F C 1.151 176.985 175.800 0.057 0.000 1.109 175 F CA 3.109 61.130 58.000 0.034 0.000 1.212 175 F CB -0.009 39.008 39.000 0.028 0.000 0.973 175 F HN -0.394 8.079 8.300 0.288 0.000 0.480 176 L N -1.996 119.502 121.223 0.457 0.000 2.017 176 L HA -0.411 4.215 4.340 0.475 0.000 0.208 176 L C 2.230 179.261 176.870 0.268 0.000 1.073 176 L CA 2.521 57.570 54.840 0.348 0.000 0.745 176 L CB -1.841 40.306 42.059 0.148 0.000 0.894 176 L HN -0.178 8.251 8.230 0.332 0.000 0.432 177 E N -0.522 119.782 120.200 0.173 0.000 2.253 177 E HA -0.358 4.059 4.350 0.112 0.000 0.202 177 E C 1.784 178.456 176.600 0.120 0.000 1.014 177 E CA 2.839 59.312 56.400 0.123 0.000 0.823 177 E CB -0.182 29.571 29.700 0.088 0.000 0.736 177 E HN -0.327 8.127 8.360 0.157 0.000 0.478 178 R N -2.603 117.969 120.500 0.119 0.000 2.084 178 R HA -0.035 4.336 4.340 0.052 0.000 0.209 178 R C 1.608 177.954 176.300 0.077 0.000 1.173 178 R CA 1.846 57.982 56.100 0.060 0.000 1.053 178 R CB 1.170 31.458 30.300 -0.020 0.000 0.948 178 R HN -0.480 7.732 8.270 0.146 0.146 0.460 179 E N -2.509 117.760 120.200 0.115 0.000 2.437 179 E HA -0.012 4.377 4.350 0.066 0.000 0.189 179 E C -0.370 176.365 176.600 0.226 0.000 1.054 179 E CA -0.095 56.390 56.400 0.142 0.000 0.874 179 E CB 0.742 30.509 29.700 0.111 0.000 1.011 179 E HN 0.013 8.355 8.360 0.147 0.106 0.474 180 Y N 2.012 122.396 120.300 0.141 0.000 2.465 180 Y HA -0.185 4.442 4.550 0.128 0.000 0.331 180 Y C -0.851 175.099 175.900 0.083 0.000 1.102 180 Y CA 1.161 59.330 58.100 0.115 0.000 1.358 180 Y CB 0.232 38.751 38.460 0.099 0.000 1.213 180 Y HN -0.293 8.058 8.280 0.333 0.129 0.525 181 K N 8.859 128.826 120.400 -0.721 0.000 2.263 181 K HA 0.209 4.329 4.320 -0.334 0.000 0.272 181 K C 0.146 176.261 176.600 -0.808 0.000 1.033 181 K CA -1.633 54.325 56.287 -0.548 0.000 0.884 181 K CB 1.175 33.522 32.500 -0.254 0.000 1.107 181 K HN 0.219 8.079 8.250 -0.650 0.000 0.460 182 E N 6.667 126.592 120.200 -0.459 0.000 2.059 182 E HA -0.428 3.881 4.350 -0.068 0.000 0.237 182 E C 0.943 177.498 176.600 -0.075 0.000 1.023 182 E CA 2.980 59.272 56.400 -0.181 0.000 0.918 182 E CB 0.145 29.828 29.700 -0.027 0.000 0.824 182 E HN 0.664 8.844 8.360 -0.299 0.000 0.534 183 N N -0.694 117.990 118.700 -0.027 0.000 2.758 183 N HA -0.029 4.764 4.740 0.088 0.000 0.293 183 N C -1.140 174.394 175.510 0.040 0.000 1.273 183 N CA -0.544 52.530 53.050 0.040 0.000 1.022 183 N CB -0.710 37.803 38.487 0.044 0.000 1.334 183 N HN 0.178 8.533 8.380 -0.041 0.000 0.519 184 L N 3.452 124.676 121.223 0.003 0.000 2.534 184 L HA -0.004 4.318 4.340 -0.029 0.000 0.271 184 L C -2.112 174.773 176.870 0.026 0.000 1.178 184 L CA -1.788 53.045 54.840 -0.012 0.000 0.907 184 L CB 0.302 42.322 42.059 -0.065 0.000 1.164 184 L HN -0.812 7.306 8.230 -0.048 0.083 0.482 185 P HA 0.083 4.515 4.420 0.020 0.000 0.268 185 P C 0.251 177.407 177.300 -0.240 0.000 1.205 185 P CA -0.067 63.001 63.100 -0.052 0.000 0.771 185 P CB 0.854 32.541 31.700 -0.022 0.000 0.858 186 E N 6.609 126.500 120.200 -0.515 0.000 2.110 186 E HA -0.591 2.785 4.350 -1.623 0.000 0.225 186 E C 1.767 178.155 176.600 -0.354 0.000 1.063 186 E CA 4.903 60.797 56.400 -0.843 0.000 0.906 186 E CB 0.103 29.422 29.700 -0.636 0.000 0.795 186 E HN 0.459 8.598 8.360 -0.368 0.000 0.479 187 K N -2.124 118.217 120.400 -0.098 0.000 2.059 187 K HA -0.406 4.091 4.320 0.294 0.000 0.212 187 K C 2.514 179.174 176.600 0.099 0.000 1.050 187 K CA 3.527 59.887 56.287 0.122 0.000 0.927 187 K CB -0.437 32.141 32.500 0.130 0.000 0.714 187 K HN 0.101 8.297 8.250 -0.089 0.000 0.447 188 E N -1.860 118.340 120.200 0.001 0.000 2.107 188 E HA -0.214 4.168 4.350 0.053 0.000 0.191 188 E C 2.128 178.712 176.600 -0.028 0.000 0.982 188 E CA 2.657 59.061 56.400 0.007 0.000 0.809 188 E CB -0.055 29.640 29.700 -0.008 0.000 0.756 188 E HN -0.425 7.908 8.360 -0.040 0.003 0.459 189 A N 1.744 124.498 122.820 -0.110 0.000 1.851 189 A HA -0.273 4.033 4.320 -0.024 0.000 0.216 189 A C 1.645 179.168 177.584 -0.102 0.000 1.195 189 A CA 3.370 55.346 52.037 -0.102 0.000 0.622 189 A CB -0.486 18.382 19.000 -0.220 0.000 0.831 189 A HN 0.202 8.071 8.150 -0.167 0.182 0.444 190 V N -2.783 117.012 119.914 -0.198 0.000 2.392 190 V HA -0.586 3.379 4.120 -0.259 0.000 0.249 190 V C 1.156 177.161 176.094 -0.148 0.000 1.059 190 V CA 4.073 66.208 62.300 -0.276 0.000 1.051 190 V CB -0.041 31.420 31.823 -0.602 0.000 0.658 190 V HN 0.391 8.431 8.190 -0.251 0.000 0.455 191 T N 3.191 117.742 114.554 -0.004 0.000 2.643 191 T HA -0.433 3.993 4.350 0.127 0.000 0.264 191 T C 1.575 176.279 174.700 0.006 0.000 1.045 191 T CA 5.536 67.680 62.100 0.074 0.000 1.155 191 T CB -0.162 68.776 68.868 0.118 0.000 0.863 191 T HN -0.721 7.428 8.240 0.015 0.100 0.420 192 L N 1.061 122.288 121.223 0.006 0.000 2.051 192 L HA -0.428 3.942 4.340 0.049 0.000 0.214 192 L C 1.794 178.584 176.870 -0.134 0.000 1.076 192 L CA 3.163 58.004 54.840 0.000 0.000 0.758 192 L CB -0.660 41.434 42.059 0.057 0.000 0.890 192 L HN 0.271 8.509 8.230 0.015 0.000 0.433 193 G N -1.344 107.391 108.800 -0.109 0.000 2.453 193 G HA2 -0.411 3.443 3.960 -0.177 0.000 0.215 193 G HA3 -0.411 3.471 3.960 -0.130 0.000 0.215 193 G C 0.681 175.459 174.900 -0.203 0.000 1.201 193 G CA 2.030 47.034 45.100 -0.160 0.000 0.784 193 G HN 0.279 8.527 8.290 -0.069 0.000 0.545 194 I N 2.266 122.744 120.570 -0.153 0.000 2.264 194 I HA -0.516 3.576 4.170 -0.130 0.000 0.248 194 I C 1.111 177.153 176.117 -0.126 0.000 1.111 194 I CA 3.008 64.236 61.300 -0.120 0.000 1.382 194 I CB -0.087 37.877 38.000 -0.060 0.000 1.060 194 I HN 0.408 8.425 8.210 -0.138 0.110 0.418 195 K N -0.007 120.308 120.400 -0.142 0.000 1.985 195 K HA -0.422 3.880 4.320 -0.029 0.000 0.210 195 K C 1.763 178.140 176.600 -0.372 0.000 1.047 195 K CA 3.832 60.040 56.287 -0.133 0.000 0.932 195 K CB -0.130 32.356 32.500 -0.023 0.000 0.716 195 K HN 0.225 8.389 8.250 -0.121 0.013 0.439 196 A N -0.324 121.975 122.820 -0.869 0.000 1.892 196 A HA -0.273 2.789 4.320 -2.096 0.000 0.218 196 A C 2.285 179.612 177.584 -0.428 0.000 1.188 196 A CA 2.950 54.258 52.037 -1.216 0.000 0.631 196 A CB -0.673 17.690 19.000 -1.061 0.000 0.822 196 A HN 0.047 7.745 8.150 -0.755 0.000 0.447 197 L N -1.515 119.539 121.223 -0.281 0.000 2.012 197 L HA -0.399 3.862 4.340 -0.131 0.000 0.210 197 L C 1.288 178.104 176.870 -0.091 0.000 1.073 197 L CA 3.089 57.839 54.840 -0.150 0.000 0.748 197 L CB -0.483 41.501 42.059 -0.126 0.000 0.891 197 L HN 0.265 8.204 8.230 -0.307 0.108 0.431 198 K N -1.377 118.974 120.400 -0.082 0.000 1.969 198 K HA -0.461 4.054 4.320 -0.017 -0.206 0.223 198 K C 2.438 179.045 176.600 0.013 0.000 1.048 198 K CA 3.308 59.581 56.287 -0.023 0.000 0.983 198 K CB -0.060 32.439 32.500 -0.002 0.000 0.738 198 K HN 0.098 8.105 8.250 -0.116 0.173 0.446 199 S N -1.735 114.000 115.700 0.059 0.000 2.425 199 S HA -0.459 4.080 4.470 0.115 0.000 0.256 199 S C 1.281 175.932 174.600 0.086 0.000 1.101 199 S CA 3.412 61.688 58.200 0.127 0.000 1.188 199 S CB -0.679 62.707 63.200 0.311 0.000 1.085 199 S HN -0.244 8.095 8.310 0.048 0.000 0.439 200 S N 1.776 117.515 115.700 0.064 0.000 2.557 200 S HA -0.237 4.269 4.470 0.060 0.000 0.225 200 S C 2.228 176.842 174.600 0.023 0.000 1.092 200 S CA 2.331 60.556 58.200 0.041 0.000 1.310 200 S CB 0.237 63.443 63.200 0.010 0.000 1.147 200 S HN -0.714 7.628 8.310 0.049 -0.002 0.402 201 L N -0.933 120.293 121.223 0.004 0.000 2.353 201 L HA -0.098 4.244 4.340 0.004 0.000 0.220 201 L C 1.914 178.789 176.870 0.007 0.000 1.133 201 L CA 1.347 56.188 54.840 0.001 0.000 0.798 201 L CB -0.440 41.612 42.059 -0.010 0.000 0.922 201 L HN -0.527 7.699 8.230 -0.007 0.000 0.445 202 E N -0.981 119.226 120.200 0.013 0.000 2.441 202 E HA -0.122 4.234 4.350 0.011 0.000 0.210 202 E C 0.674 177.286 176.600 0.021 0.000 1.306 202 E CA -0.448 55.962 56.400 0.016 0.000 1.307 202 E CB -2.558 27.154 29.700 0.020 0.000 1.297 202 E HN 0.140 8.461 8.360 0.014 0.048 0.440 203 E N 0.448 120.658 120.200 0.018 0.000 2.152 203 E HA -0.126 4.236 4.350 0.020 0.000 0.192 203 E C 0.989 177.596 176.600 0.013 0.000 0.983 203 E CA 1.686 58.097 56.400 0.017 0.000 0.818 203 E CB 0.156 29.865 29.700 0.015 0.000 0.758 203 E HN 0.223 8.470 8.360 0.015 0.122 0.467 204 G N -1.017 107.790 108.800 0.011 0.000 3.496 204 G HA2 0.019 3.984 3.960 0.008 0.000 0.273 204 G HA3 0.019 3.983 3.960 0.006 0.000 0.273 204 G C -0.783 174.123 174.900 0.009 0.000 1.279 204 G CA -0.883 44.222 45.100 0.009 0.000 1.041 204 G HN -0.522 7.758 8.290 0.010 0.016 0.539 205 E N -0.678 119.529 120.200 0.012 0.000 4.201 205 E HA -0.626 3.735 4.350 0.017 0.000 0.197 205 E C -1.219 175.389 176.600 0.013 0.000 1.283 205 E CA 2.508 58.916 56.400 0.014 0.000 2.240 205 E CB -1.354 28.353 29.700 0.012 0.000 1.878 205 E HN -0.407 7.796 8.360 0.014 0.165 0.315 206 E N 1.220 121.426 120.200 0.010 0.000 2.328 206 E HA -0.101 4.255 4.350 0.011 0.000 0.265 206 E C 0.486 177.090 176.600 0.007 0.000 1.057 206 E CA 0.163 56.569 56.400 0.009 0.000 0.916 206 E CB 0.164 29.868 29.700 0.008 0.000 0.993 206 E HN -0.211 8.113 8.360 0.009 0.041 0.446 207 L N 7.716 128.943 121.223 0.008 0.000 2.376 207 L HA -0.181 4.355 4.340 -0.001 -0.197 0.219 207 L C -0.533 176.337 176.870 0.001 0.000 1.133 207 L CA 1.201 56.043 54.840 0.002 0.000 0.816 207 L CB -0.032 42.029 42.059 0.004 0.000 0.933 207 L HN 0.286 8.523 8.230 0.011 0.000 0.449 208 K N -5.096 115.307 120.400 0.005 0.000 1.968 208 K HA -0.363 3.961 4.320 0.008 0.000 0.393 208 K C -1.533 175.072 176.600 0.008 0.000 1.775 208 K CA 1.281 57.571 56.287 0.005 0.000 0.654 208 K CB -0.770 31.730 32.500 0.001 0.000 1.066 208 K HN -0.371 7.841 8.250 0.008 0.042 0.701 209 A N 1.901 124.725 122.820 0.006 0.000 2.293 209 A HA 0.471 4.801 4.320 0.016 0.000 0.312 209 A C -2.878 174.705 177.584 -0.002 0.000 1.309 209 A CA -2.345 49.698 52.037 0.009 0.000 0.839 209 A CB 0.406 19.415 19.000 0.014 0.000 1.155 209 A HN 0.034 8.185 8.150 0.002 0.000 0.501 210 P HA 0.193 4.695 4.420 -0.034 -0.102 0.276 210 P C -1.694 175.587 177.300 -0.032 0.000 1.244 210 P CA -0.975 62.106 63.100 -0.031 0.000 0.801 210 P CB 1.127 32.798 31.700 -0.050 0.000 1.006 211 E N 1.163 121.335 120.200 -0.047 0.000 2.133 211 E HA 0.333 4.671 4.350 -0.020 0.000 0.274 211 E C -1.910 174.638 176.600 -0.085 0.000 0.930 211 E CA -1.384 54.990 56.400 -0.042 0.000 0.770 211 E CB 2.856 32.535 29.700 -0.034 0.000 1.104 211 E HN 0.335 8.661 8.360 -0.055 0.000 0.403 212 I N 5.692 126.197 120.570 -0.109 0.000 2.582 212 I HA 0.785 5.004 4.170 -0.195 -0.166 0.292 212 I C -2.968 173.042 176.117 -0.178 0.000 1.066 212 I CA -2.197 58.960 61.300 -0.237 0.000 1.053 212 I CB 3.759 41.457 38.000 -0.504 0.000 1.241 212 I HN 0.514 8.692 8.210 -0.054 0.000 0.421 213 A N 7.071 129.825 122.820 -0.109 0.000 2.515 213 A HA 0.900 5.474 4.320 0.239 -0.111 0.298 213 A C -2.466 175.234 177.584 0.193 0.000 1.059 213 A CA -1.419 50.694 52.037 0.126 0.000 0.698 213 A CB 4.102 23.203 19.000 0.167 0.000 1.289 213 A HN 1.070 9.034 8.150 -0.130 0.108 0.404 214 S N -0.406 115.488 115.700 0.324 0.000 2.541 214 S HA 0.782 5.483 4.470 0.182 -0.122 0.271 214 S C -1.913 172.647 174.600 -0.066 0.000 1.133 214 S CA -0.775 57.549 58.200 0.207 0.000 0.876 214 S CB 3.518 66.904 63.200 0.310 0.000 1.105 214 S HN 0.923 9.480 8.310 0.412 0.000 0.470 215 I N 0.966 121.296 120.570 -0.399 0.000 2.647 215 I HA 0.373 4.323 4.170 -0.366 0.000 0.295 215 I C -2.625 173.325 176.117 -0.279 0.000 1.078 215 I CA -1.492 59.471 61.300 -0.562 0.000 1.048 215 I CB 4.148 41.400 38.000 -1.247 0.000 1.239 215 I HN 0.844 8.880 8.210 -0.289 0.000 0.421 216 T N 6.969 121.437 114.554 -0.144 0.000 2.887 216 T HA 0.280 4.611 4.350 -0.167 -0.081 0.288 216 T C -1.123 173.543 174.700 -0.056 0.000 1.021 216 T CA -2.295 59.759 62.100 -0.077 0.000 1.000 216 T CB 1.630 70.534 68.868 0.059 0.000 1.034 216 T HN 0.276 8.436 8.240 -0.134 0.000 0.467 217 V N 6.640 126.526 119.914 -0.047 0.000 2.752 217 V HA -0.484 3.641 4.120 0.008 0.000 0.306 217 V C 0.754 176.865 176.094 0.028 0.000 1.099 217 V CA 2.365 64.663 62.300 -0.005 0.000 1.240 217 V CB 0.601 32.418 31.823 -0.009 0.000 0.887 217 V HN 0.528 8.562 8.190 -0.073 0.112 0.499 218 G N 5.773 114.610 108.800 0.061 0.000 2.308 218 G HA2 -0.253 3.750 3.960 0.070 0.000 0.221 218 G HA3 -0.253 3.738 3.960 0.052 0.000 0.221 218 G C -1.450 173.518 174.900 0.113 0.000 1.032 218 G CA -0.134 45.010 45.100 0.073 0.000 0.623 218 G HN 0.482 8.818 8.290 0.077 0.000 0.506 219 N N -0.525 118.229 118.700 0.090 0.000 3.102 219 N HA 0.221 5.042 4.740 0.135 0.000 0.299 219 N C -1.933 173.516 175.510 -0.102 0.000 1.482 219 N CA -1.041 52.041 53.050 0.054 0.000 0.785 219 N CB 1.983 40.477 38.487 0.010 0.000 1.680 219 N HN -0.376 7.969 8.380 0.055 0.069 0.594 220 K N -2.489 117.751 120.400 -0.267 0.000 2.120 220 K HA -0.058 3.710 4.320 -0.919 0.000 0.245 220 K C 0.305 176.779 176.600 -0.210 0.000 1.024 220 K CA 0.071 56.071 56.287 -0.479 0.000 0.906 220 K CB 0.768 33.024 32.500 -0.407 0.000 1.051 220 K HN -0.123 8.036 8.250 -0.153 0.000 0.491 221 Y N 0.058 120.227 120.300 -0.220 0.000 2.578 221 Y HA -0.299 4.232 4.550 -0.033 0.000 0.339 221 Y C 0.363 176.245 175.900 -0.030 0.000 1.231 221 Y CA 2.663 60.717 58.100 -0.077 0.000 1.461 221 Y CB 0.701 39.128 38.460 -0.055 0.000 1.323 221 Y HN -0.447 7.803 8.280 -0.049 0.000 0.590 222 R N 3.608 124.246 120.500 0.231 0.000 2.513 222 R HA 0.416 4.829 4.340 0.122 0.000 0.301 222 R C -1.926 174.542 176.300 0.280 0.000 0.968 222 R CA -1.409 54.798 56.100 0.178 0.000 0.872 222 R CB 3.282 33.642 30.300 0.100 0.000 1.177 222 R HN 0.686 9.095 8.270 0.231 0.000 0.444 223 I N 6.208 126.900 120.570 0.204 0.000 2.336 223 I HA 0.033 4.375 4.170 0.286 0.000 0.292 223 I C -0.634 175.628 176.117 0.243 0.000 0.991 223 I CA -0.946 60.488 61.300 0.224 0.000 1.227 223 I CB 1.263 39.335 38.000 0.119 0.000 1.366 223 I HN 0.359 8.650 8.210 0.134 0.000 0.466 224 Y N 8.458 128.775 120.300 0.029 0.000 2.425 224 Y HA -0.140 4.604 4.550 0.038 -0.171 0.331 224 Y C 0.747 176.665 175.900 0.030 0.000 1.157 224 Y CA -0.130 57.986 58.100 0.026 0.000 1.372 224 Y CB 0.385 38.842 38.460 -0.004 0.000 1.253 224 Y HN 0.065 8.654 8.280 0.515 0.000 0.536 225 D N 2.649 123.122 120.400 0.121 0.000 2.313 225 D HA -0.027 4.662 4.640 0.081 0.000 0.247 225 D C 0.724 177.088 176.300 0.106 0.000 1.094 225 D CA -0.751 53.301 54.000 0.086 0.000 0.925 225 D CB 1.648 42.472 40.800 0.040 0.000 1.188 225 D HN -0.139 8.394 8.370 0.045 -0.136 0.430 226 Q N 2.236 122.083 119.800 0.078 0.000 2.165 226 Q HA -0.506 3.879 4.340 0.075 0.000 0.215 226 Q C 1.668 177.719 176.000 0.084 0.000 1.010 226 Q CA 4.101 59.947 55.803 0.072 0.000 0.896 226 Q CB 0.031 28.797 28.738 0.047 0.000 0.956 226 Q HN 0.661 8.969 8.270 0.062 0.000 0.413 227 E N -2.149 118.094 120.200 0.071 0.000 2.047 227 E HA -0.299 4.086 4.350 0.058 0.000 0.191 227 E C 2.078 178.741 176.600 0.105 0.000 0.987 227 E CA 2.725 59.164 56.400 0.066 0.000 0.799 227 E CB -0.589 29.134 29.700 0.038 0.000 0.752 227 E HN -0.077 8.393 8.360 0.058 -0.076 0.449 228 E N -0.229 120.050 120.200 0.132 0.000 2.085 228 E HA -0.329 4.124 4.350 0.173 0.000 0.194 228 E C 2.451 179.325 176.600 0.456 0.000 0.994 228 E CA 2.676 59.214 56.400 0.229 0.000 0.801 228 E CB -0.002 29.784 29.700 0.143 0.000 0.743 228 E HN -0.739 7.840 8.360 0.101 -0.158 0.453 229 V N 0.081 120.215 119.914 0.366 0.000 2.358 229 V HA -0.432 3.931 4.120 0.406 0.000 0.246 229 V C 1.118 177.392 176.094 0.300 0.000 1.047 229 V CA 3.558 66.058 62.300 0.333 0.000 1.035 229 V CB 0.169 32.086 31.823 0.156 0.000 0.658 229 V HN -0.052 8.300 8.190 0.269 0.000 0.452 230 K N -0.981 119.533 120.400 0.190 0.000 2.211 230 K HA -0.360 4.024 4.320 0.107 0.000 0.204 230 K C 1.856 178.522 176.600 0.110 0.000 1.047 230 K CA 3.025 59.385 56.287 0.122 0.000 0.935 230 K CB -0.352 32.194 32.500 0.076 0.000 0.728 230 K HN -0.388 7.961 8.250 0.165 0.000 0.452 231 K N -2.041 118.429 120.400 0.117 0.000 2.057 231 K HA -0.230 4.054 4.320 -0.060 0.000 0.207 231 K C 1.617 178.154 176.600 -0.104 0.000 1.049 231 K CA 2.817 59.074 56.287 -0.050 0.000 0.931 231 K CB 0.232 32.623 32.500 -0.181 0.000 0.714 231 K HN -0.449 7.774 8.250 0.178 0.134 0.440 232 F N -5.057 114.914 119.950 0.035 0.000 2.512 232 F HA -0.120 4.417 4.527 0.017 0.000 0.296 232 F C 0.761 176.565 175.800 0.008 0.000 1.110 232 F CA 1.192 59.204 58.000 0.021 0.000 1.446 232 F CB 0.329 39.342 39.000 0.021 0.000 1.092 232 F HN -0.779 7.739 8.300 0.544 0.108 0.554 233 L N 0.000 121.342 121.223 0.199 0.000 2.949 233 L HA 0.000 4.399 4.340 0.098 0.000 0.249 233 L CA 0.000 54.904 54.840 0.107 0.000 0.813 233 L CB 0.000 42.110 42.059 0.085 0.000 0.961 233 L HN 0.000 8.230 8.230 0.232 0.139 0.502