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_B 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 3.960 3.960 -0.001 0.000 0.244 -3 G C 0.000 174.900 174.900 0.001 0.000 0.946 -3 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 -2 A N -0.151 122.670 122.820 0.001 0.000 1.933 -2 A HA -0.086 4.235 4.320 0.001 0.000 0.218 -2 A C 2.214 179.799 177.584 0.003 0.000 1.175 -2 A CA 1.244 53.282 52.037 0.002 0.000 0.628 -2 A CB 0.156 19.157 19.000 0.002 0.000 0.814 -2 A HN 0.070 8.221 8.150 0.001 0.000 0.444 -1 M N -2.001 117.601 119.600 0.003 0.000 2.117 -1 M HA -0.187 4.296 4.480 0.005 0.000 0.262 -1 M C 0.365 176.667 176.300 0.005 0.000 1.065 -1 M CA 0.675 55.978 55.300 0.005 0.000 1.114 -1 M CB 0.200 32.803 32.600 0.006 0.000 1.361 -1 M HN -0.348 7.935 8.290 0.003 0.009 0.408 0 G N -0.435 108.367 108.800 0.003 0.000 2.385 0 G HA2 -0.164 3.797 3.960 0.002 0.000 0.294 0 G HA3 -0.164 3.798 3.960 0.003 0.000 0.294 0 G C -0.862 174.041 174.900 0.005 0.000 1.070 0 G CA 0.010 45.112 45.100 0.003 0.000 1.172 0 G HN -0.177 8.115 8.290 0.003 0.000 0.516 1 M N -1.427 118.176 119.600 0.005 0.000 2.217 1 M HA 0.087 4.574 4.480 0.011 0.000 0.354 1 M C 1.048 177.351 176.300 0.004 0.000 1.225 1 M CA -0.910 54.395 55.300 0.007 0.000 1.137 1 M CB 0.061 32.665 32.600 0.006 0.000 1.576 1 M HN -0.377 7.915 8.290 0.003 0.000 0.461 2 Q N 2.133 121.939 119.800 0.009 0.000 2.079 2 Q HA -0.116 4.228 4.340 0.007 0.000 0.200 2 Q C -0.298 175.703 176.000 0.002 0.000 0.974 2 Q CA 1.726 57.534 55.803 0.008 0.000 0.840 2 Q CB 0.193 28.940 28.738 0.016 0.000 0.898 2 Q HN 0.303 8.581 8.270 0.013 0.000 0.430 3 Q N -0.381 119.417 119.800 -0.004 0.000 2.307 3 Q HA 0.168 4.492 4.340 -0.026 0.000 0.262 3 Q C -0.591 175.381 176.000 -0.047 0.000 0.961 3 Q CA -0.826 54.959 55.803 -0.030 0.000 0.882 3 Q CB 1.322 30.033 28.738 -0.045 0.000 1.264 3 Q HN -0.369 7.904 8.270 0.004 0.000 0.446 4 G N 1.728 110.495 108.800 -0.055 0.000 2.537 4 G HA2 0.099 4.035 3.960 -0.040 0.000 0.273 4 G HA3 0.099 4.033 3.960 -0.044 0.000 0.273 4 G C -1.199 173.642 174.900 -0.099 0.000 1.189 4 G CA -0.276 44.790 45.100 -0.056 0.000 0.881 4 G HN 0.137 8.398 8.290 -0.048 0.000 0.535 5 Q N 0.975 120.727 119.800 -0.080 0.000 2.350 5 Q HA 0.123 4.368 4.340 -0.158 0.000 0.255 5 Q C -0.272 175.689 176.000 -0.064 0.000 0.951 5 Q CA -0.558 55.185 55.803 -0.101 0.000 0.751 5 Q CB 1.407 30.100 28.738 -0.075 0.000 1.296 5 Q HN 0.085 8.324 8.270 -0.052 0.000 0.453 6 M N 2.036 121.595 119.600 -0.070 0.000 2.117 6 M HA -0.133 4.327 4.480 -0.033 0.000 0.262 6 M C 0.307 176.587 176.300 -0.033 0.000 1.065 6 M CA 1.516 56.790 55.300 -0.044 0.000 1.114 6 M CB 0.619 33.193 32.600 -0.043 0.000 1.361 6 M HN 0.334 8.567 8.290 -0.095 0.000 0.408 7 A N -1.739 121.058 122.820 -0.039 0.000 2.605 7 A HA 0.213 4.525 4.320 -0.013 0.000 0.294 7 A C -0.219 177.359 177.584 -0.010 0.000 1.062 7 A CA -0.645 51.380 52.037 -0.021 0.000 0.682 7 A CB 1.124 20.113 19.000 -0.018 0.000 1.278 7 A HN -0.794 7.321 8.150 -0.058 0.000 0.410 8 G N -1.741 107.062 108.800 0.006 0.000 2.418 8 G HA2 -0.167 3.824 3.960 0.050 0.000 0.217 8 G HA3 -0.167 3.807 3.960 0.023 0.000 0.217 8 G C -0.367 174.547 174.900 0.023 0.000 1.158 8 G CA 0.423 45.539 45.100 0.027 0.000 0.771 8 G HN 0.396 8.688 8.290 0.004 0.000 0.545 9 G N -1.839 106.964 108.800 0.005 0.000 2.758 9 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.686 9 G HA3 -0.211 3.813 3.960 -0.004 -0.066 0.686 9 G C -1.593 173.307 174.900 0.001 0.000 1.389 9 G CA -0.651 44.448 45.100 -0.001 0.000 0.845 9 G HN -0.526 7.765 8.290 0.002 0.000 0.572 10 R N -0.198 120.301 120.500 -0.003 0.000 2.673 10 R HA 0.186 4.524 4.340 -0.003 0.000 0.281 10 R C -1.152 175.146 176.300 -0.004 0.000 0.991 10 R CA -0.496 55.602 56.100 -0.002 0.000 0.896 10 R CB 1.982 32.282 30.300 -0.000 0.000 1.201 10 R HN 0.317 8.583 8.270 -0.005 0.002 0.457 11 A N 2.982 125.798 122.820 -0.006 0.000 2.440 11 A HA -0.242 4.075 4.320 -0.005 0.000 0.686 11 A C -1.728 175.846 177.584 -0.016 0.000 0.143 11 A CA -0.036 51.997 52.037 -0.006 0.000 0.028 11 A CB -0.073 18.928 19.000 0.001 0.000 3.973 11 A HN 0.332 8.478 8.150 -0.007 0.000 0.548 12 I N -3.774 116.783 120.570 -0.022 0.000 7.141 12 I HA -0.269 3.872 4.170 -0.049 0.000 0.126 12 I C -1.572 174.503 176.117 -0.070 0.000 1.833 12 I CA 0.655 61.932 61.300 -0.040 0.000 2.047 12 I CB -1.984 36.005 38.000 -0.018 0.000 3.597 12 I HN 0.118 8.320 8.210 -0.014 0.000 0.172 13 T N -0.331 114.164 114.554 -0.099 0.000 5.378 13 T HA -0.035 4.203 4.350 -0.188 0.000 0.275 13 T C -1.429 173.190 174.700 -0.134 0.000 0.919 13 T CA 0.156 62.175 62.100 -0.135 0.000 0.507 13 T CB -0.152 68.662 68.868 -0.088 0.000 0.520 13 T HN -0.260 7.926 8.240 -0.089 0.000 0.234 14 V N 2.334 122.153 119.914 -0.158 0.000 2.483 14 V HA 0.237 4.341 4.120 -0.028 0.000 0.297 14 V C -1.187 174.820 176.094 -0.145 0.000 1.027 14 V CA -0.750 61.499 62.300 -0.086 0.000 0.855 14 V CB 0.812 32.627 31.823 -0.014 0.000 0.995 14 V HN -0.436 7.649 8.190 -0.176 0.000 0.424 15 F N 7.465 127.387 119.950 -0.045 0.000 2.456 15 F HA 0.036 4.631 4.527 -0.113 -0.137 0.358 15 F C 0.809 176.575 175.800 -0.056 0.000 1.095 15 F CA 0.016 57.971 58.000 -0.075 0.000 1.216 15 F CB 0.971 39.930 39.000 -0.069 0.000 1.125 15 F HN 0.248 8.648 8.300 0.167 0.000 0.549 16 S N 4.673 120.422 115.700 0.082 0.000 2.614 16 S HA 0.217 4.777 4.470 0.149 0.000 0.265 16 S C -0.353 174.300 174.600 0.088 0.000 1.303 16 S CA -1.072 57.177 58.200 0.082 0.000 1.000 16 S CB -0.196 62.963 63.200 -0.069 0.000 0.935 16 S HN 0.513 8.815 8.310 -0.013 0.000 0.551 17 P HA -0.082 4.367 4.420 0.048 0.000 0.226 17 P C -1.505 175.813 177.300 0.030 0.000 1.146 17 P CA 1.645 64.780 63.100 0.059 0.000 0.773 17 P CB -0.308 31.431 31.700 0.066 0.000 0.772 18 D N -5.375 115.039 120.400 0.024 0.000 2.402 18 D HA -0.056 4.584 4.640 -0.001 0.000 0.216 18 D C 0.630 176.913 176.300 -0.028 0.000 1.128 18 D CA -0.660 53.339 54.000 -0.002 0.000 0.833 18 D CB -0.710 40.099 40.800 0.014 0.000 0.971 18 D HN -0.679 7.628 8.370 0.027 0.079 0.503 19 G N 1.104 109.899 108.800 -0.008 0.000 2.326 19 G HA2 -0.476 3.521 3.960 0.062 0.000 0.286 19 G HA3 -0.476 3.448 3.960 -0.060 0.000 0.286 19 G C -1.315 173.642 174.900 0.096 0.000 1.096 19 G CA 0.254 45.369 45.100 0.025 0.000 1.003 19 G HN 0.249 8.372 8.290 0.016 0.176 0.503 20 R N -2.031 118.478 120.500 0.016 0.000 2.698 20 R HA 0.242 4.538 4.340 -0.074 0.000 0.275 20 R C -2.028 174.051 176.300 -0.368 0.000 1.001 20 R CA -2.150 53.824 56.100 -0.211 0.000 0.896 20 R CB 3.878 33.873 30.300 -0.509 0.000 1.218 20 R HN -0.299 8.024 8.270 -0.024 -0.067 0.462 21 L N 2.766 123.767 121.223 -0.370 0.000 2.288 21 L HA 0.379 4.462 4.340 -0.429 0.000 0.283 21 L C 0.495 177.153 176.870 -0.353 0.000 1.072 21 L CA -2.672 51.929 54.840 -0.398 0.000 0.862 21 L CB -2.058 39.783 42.059 -0.364 0.000 1.245 21 L HN 0.757 8.826 8.230 -0.269 0.000 0.432 22 F N 5.486 125.262 119.950 -0.290 0.000 2.120 22 F HA -0.519 3.754 4.527 -0.423 0.000 0.300 22 F C 1.590 176.908 175.800 -0.804 0.000 1.095 22 F CA 4.435 62.122 58.000 -0.521 0.000 1.249 22 F CB -0.213 38.488 39.000 -0.497 0.000 0.995 22 F HN -0.194 7.910 8.300 -0.327 0.000 0.480 23 Q N -1.817 117.772 119.800 -0.352 0.000 2.096 23 Q HA -0.363 3.786 4.340 -0.319 0.000 0.204 23 Q C 2.604 178.518 176.000 -0.144 0.000 0.982 23 Q CA 3.411 59.062 55.803 -0.253 0.000 0.850 23 Q CB -1.073 27.605 28.738 -0.100 0.000 0.901 23 Q HN 0.048 8.186 8.270 -0.219 0.000 0.422 24 V N -0.147 119.690 119.914 -0.130 0.000 2.490 24 V HA -0.435 3.675 4.120 -0.016 0.000 0.250 24 V C 1.708 177.789 176.094 -0.021 0.000 1.061 24 V CA 3.697 65.963 62.300 -0.057 0.000 1.064 24 V CB -0.373 31.409 31.823 -0.068 0.000 0.670 24 V HN -0.596 7.490 8.190 -0.169 0.002 0.461 25 E N 0.561 120.724 120.200 -0.060 0.000 2.028 25 E HA -0.306 4.084 4.350 0.066 0.000 0.191 25 E C 2.811 179.536 176.600 0.208 0.000 0.988 25 E CA 3.113 59.547 56.400 0.057 0.000 0.799 25 E CB -0.523 29.240 29.700 0.105 0.000 0.755 25 E HN -0.466 7.690 8.360 -0.151 0.113 0.447 26 Y N -1.049 119.306 120.300 0.093 0.000 2.207 26 Y HA -0.319 4.264 4.550 0.054 0.000 0.287 26 Y C 2.216 178.141 175.900 0.041 0.000 1.156 26 Y CA 0.247 58.383 58.100 0.059 0.000 1.182 26 Y CB -1.538 36.951 38.460 0.048 0.000 0.979 26 Y HN 0.206 8.384 8.280 -0.170 0.000 0.521 27 A N -1.214 121.717 122.820 0.185 0.000 1.883 27 A HA -0.437 3.947 4.320 0.106 0.000 0.217 27 A C 1.800 179.441 177.584 0.095 0.000 1.186 27 A CA 3.095 55.198 52.037 0.111 0.000 0.624 27 A CB -0.702 18.342 19.000 0.074 0.000 0.822 27 A HN 0.464 8.695 8.150 0.147 0.008 0.444 28 R N -3.015 117.542 120.500 0.095 0.000 2.105 28 R HA -0.411 3.966 4.340 0.062 0.000 0.239 28 R C 2.678 179.024 176.300 0.076 0.000 1.135 28 R CA 3.395 59.542 56.100 0.077 0.000 0.967 28 R CB -0.372 29.974 30.300 0.076 0.000 0.861 28 R HN -0.496 7.758 8.270 0.097 0.074 0.442 29 E N -0.934 119.326 120.200 0.100 0.000 2.038 29 E HA -0.331 4.057 4.350 0.064 0.000 0.195 29 E C 2.116 178.744 176.600 0.047 0.000 1.000 29 E CA 2.735 59.180 56.400 0.074 0.000 0.803 29 E CB -0.568 29.178 29.700 0.077 0.000 0.750 29 E HN -0.570 7.773 8.360 0.140 0.101 0.448 30 A N -1.841 121.009 122.820 0.050 0.000 1.986 30 A HA -0.220 4.113 4.320 0.021 0.000 0.220 30 A C 2.407 180.006 177.584 0.024 0.000 1.171 30 A CA 3.319 55.375 52.037 0.032 0.000 0.640 30 A CB -0.888 18.133 19.000 0.035 0.000 0.811 30 A HN -0.476 7.716 8.150 0.070 0.000 0.451 31 V N -5.480 114.452 119.914 0.030 0.000 2.548 31 V HA -0.276 3.851 4.120 0.012 0.000 0.249 31 V C 1.059 177.160 176.094 0.012 0.000 1.055 31 V CA 2.824 65.135 62.300 0.018 0.000 1.065 31 V CB -0.890 30.946 31.823 0.021 0.000 0.681 31 V HN -0.793 7.308 8.190 0.041 0.114 0.462 32 K N 0.504 120.915 120.400 0.018 0.000 2.209 32 K HA -0.234 4.092 4.320 0.009 0.000 0.204 32 K C 1.673 178.277 176.600 0.006 0.000 1.048 32 K CA 3.341 59.636 56.287 0.013 0.000 0.940 32 K CB -0.331 32.182 32.500 0.021 0.000 0.729 32 K HN -0.249 7.897 8.250 0.028 0.120 0.451 33 K N -3.534 116.870 120.400 0.006 0.000 2.504 33 K HA -0.027 4.293 4.320 0.000 0.000 0.199 33 K C 0.294 176.892 176.600 -0.003 0.000 1.028 33 K CA -0.043 56.245 56.287 0.001 0.000 1.164 33 K CB -0.624 31.877 32.500 0.002 0.000 0.877 33 K HN -0.729 7.403 8.250 0.011 0.125 0.508 34 G N -0.325 108.472 108.800 -0.005 0.000 2.552 34 G HA2 0.195 4.149 3.960 -0.010 0.000 0.318 34 G HA3 0.195 4.147 3.960 -0.012 0.000 0.318 34 G C -1.858 173.032 174.900 -0.016 0.000 1.240 34 G CA -2.347 42.746 45.100 -0.011 0.000 1.002 34 G HN -0.643 7.457 8.290 -0.003 0.188 0.493 35 S N -2.099 113.588 115.700 -0.021 0.000 2.580 35 S HA -0.145 4.312 4.470 -0.022 0.000 0.266 35 S C -0.213 174.368 174.600 -0.033 0.000 1.354 35 S CA -0.004 58.181 58.200 -0.026 0.000 1.008 35 S CB 0.816 63.998 63.200 -0.030 0.000 0.898 35 S HN 0.161 8.458 8.310 -0.022 0.000 0.555 36 T N 2.339 116.873 114.554 -0.035 0.000 2.907 36 T HA 0.638 5.142 4.350 -0.043 -0.180 0.284 36 T C -1.597 173.070 174.700 -0.055 0.000 1.004 36 T CA -0.149 61.926 62.100 -0.042 0.000 1.063 36 T CB 1.506 70.353 68.868 -0.036 0.000 0.992 36 T HN 0.207 8.428 8.240 -0.032 0.000 0.483 37 A N 5.713 128.492 122.820 -0.067 0.000 2.599 37 A HA 0.789 5.137 4.320 -0.079 -0.075 0.290 37 A C -3.056 174.473 177.584 -0.093 0.000 1.101 37 A CA -0.929 51.060 52.037 -0.080 0.000 0.674 37 A CB 3.261 22.212 19.000 -0.081 0.000 1.277 37 A HN 0.733 8.843 8.150 -0.067 0.000 0.419 38 L N -6.794 114.370 121.223 -0.098 0.000 2.801 38 L HA 0.774 5.110 4.340 -0.126 -0.071 0.264 38 L C -2.099 174.716 176.870 -0.092 0.000 1.086 38 L CA -0.988 53.786 54.840 -0.110 0.000 0.920 38 L CB 3.374 45.364 42.059 -0.114 0.000 1.529 38 L HN 0.882 9.055 8.230 -0.094 0.000 0.399 39 G N -4.466 104.279 108.800 -0.092 0.000 2.698 39 G HA2 0.871 4.955 3.960 -0.028 0.000 0.293 39 G HA3 0.871 4.809 3.960 -0.036 0.000 0.293 39 G C -3.306 171.566 174.900 -0.047 0.000 1.437 39 G CA 0.117 45.188 45.100 -0.048 0.000 0.852 39 G HN 0.476 8.693 8.290 -0.122 0.000 0.499 40 M N -3.457 116.152 119.600 0.014 0.000 2.426 40 M HA 0.509 5.062 4.480 -0.051 -0.103 0.289 40 M C -2.122 174.238 176.300 0.099 0.000 1.168 40 M CA 0.002 55.325 55.300 0.038 0.000 0.933 40 M CB 4.341 37.010 32.600 0.116 0.000 1.750 40 M HN 0.490 8.807 8.290 0.045 0.000 0.494 41 K N 1.679 122.115 120.400 0.059 0.000 2.326 41 K HA 0.269 4.582 4.320 -0.191 -0.107 0.275 41 K C -0.263 176.440 176.600 0.171 0.000 1.018 41 K CA 1.139 57.420 56.287 -0.010 0.000 0.962 41 K CB 0.961 33.458 32.500 -0.004 0.000 0.953 41 K HN 0.464 8.725 8.250 0.019 0.000 0.475 42 F N -1.170 118.836 119.950 0.094 0.000 3.084 42 F HA 0.657 5.238 4.527 0.090 0.000 0.336 42 F C 0.678 176.503 175.800 0.042 0.000 1.230 42 F CA -2.832 55.211 58.000 0.071 0.000 0.993 42 F CB 1.072 40.099 39.000 0.047 0.000 1.496 42 F HN 0.669 8.630 8.300 -0.565 0.000 0.522 43 A N 1.309 124.490 122.820 0.601 0.000 1.901 43 A HA -0.414 4.027 4.320 0.201 0.000 0.227 43 A C 0.269 177.973 177.584 0.201 0.000 1.551 43 A CA 2.976 55.222 52.037 0.349 0.000 0.769 43 A CB -0.544 18.649 19.000 0.323 0.000 0.845 43 A HN 0.373 8.802 8.150 0.634 0.101 0.481 44 N N -1.332 117.498 118.700 0.216 0.000 2.536 44 N HA 0.064 4.801 4.740 -0.005 0.000 0.286 44 N C -1.507 173.936 175.510 -0.112 0.000 1.577 44 N CA -0.790 52.283 53.050 0.039 0.000 0.883 44 N CB 0.855 39.390 38.487 0.080 0.000 1.390 44 N HN 0.063 8.732 8.380 0.482 0.000 0.491 45 G N -1.836 106.639 108.800 -0.542 0.000 2.554 45 G HA2 0.656 4.353 3.960 -0.438 0.000 0.306 45 G HA3 0.656 4.351 3.960 -0.647 -0.123 0.306 45 G C -3.839 170.203 174.900 -1.429 0.000 1.320 45 G CA 0.447 45.057 45.100 -0.818 0.000 0.800 45 G HN -0.783 7.090 8.290 -0.694 0.000 0.481 46 V N -1.219 118.146 119.914 -0.916 0.000 2.925 46 V HA 0.859 4.751 4.120 -0.618 -0.142 0.311 46 V C -2.922 173.105 176.094 -0.112 0.000 1.104 46 V CA -3.322 58.670 62.300 -0.513 0.000 0.954 46 V CB 3.358 35.055 31.823 -0.210 0.000 1.022 46 V HN 0.290 8.110 8.190 -0.616 0.000 0.427 47 L N 2.647 123.947 121.223 0.129 0.000 2.370 47 L HA 0.917 5.484 4.340 0.202 -0.106 0.266 47 L C -2.783 174.142 176.870 0.092 0.000 1.002 47 L CA -1.838 53.118 54.840 0.193 0.000 0.818 47 L CB 3.476 45.679 42.059 0.240 0.000 1.325 47 L HN 0.256 8.554 8.230 0.113 0.000 0.418 48 L N 0.889 122.151 121.223 0.065 0.000 2.362 48 L HA 0.710 5.166 4.340 -0.007 -0.120 0.271 48 L C -2.146 174.681 176.870 -0.073 0.000 1.002 48 L CA -1.000 53.842 54.840 0.004 0.000 0.818 48 L CB 4.591 46.665 42.059 0.026 0.000 1.298 48 L HN 0.861 9.141 8.230 0.083 0.000 0.420 49 I N 3.932 124.446 120.570 -0.093 0.000 2.610 49 I HA 0.833 5.102 4.170 -0.137 -0.181 0.289 49 I C -3.102 172.954 176.117 -0.102 0.000 1.163 49 I CA -1.424 59.802 61.300 -0.124 0.000 1.044 49 I CB 4.195 42.098 38.000 -0.161 0.000 1.251 49 I HN 0.968 9.130 8.210 -0.080 0.000 0.424 50 S N 7.127 122.772 115.700 -0.092 0.000 2.568 50 S HA 0.378 4.802 4.470 -0.078 0.000 0.293 50 S C -2.073 172.489 174.600 -0.065 0.000 1.089 50 S CA -1.935 56.219 58.200 -0.077 0.000 0.945 50 S CB 2.647 65.804 63.200 -0.072 0.000 1.077 50 S HN 1.069 9.214 8.310 -0.096 0.107 0.485 51 D N 4.745 125.112 120.400 -0.055 0.000 2.339 51 D HA 0.137 4.752 4.640 -0.043 0.000 0.241 51 D C -1.174 175.105 176.300 -0.034 0.000 1.183 51 D CA -0.280 53.694 54.000 -0.043 0.000 0.859 51 D CB 0.950 41.727 40.800 -0.037 0.000 1.067 51 D HN 0.092 8.428 8.370 -0.056 0.000 0.484 52 K N 7.979 128.362 120.400 -0.029 0.000 2.231 52 K HA 0.060 4.365 4.320 -0.024 0.000 0.255 52 K C -1.383 175.208 176.600 -0.015 0.000 1.108 52 K CA -0.698 55.576 56.287 -0.022 0.000 0.997 52 K CB -0.276 32.212 32.500 -0.019 0.000 1.549 52 K HN -0.268 7.965 8.250 -0.029 0.000 0.419 53 K N 5.654 126.045 120.400 -0.015 0.000 2.262 53 K HA 0.035 4.350 4.320 -0.008 0.000 0.282 53 K C -0.961 175.634 176.600 -0.008 0.000 1.066 53 K CA -0.142 56.139 56.287 -0.010 0.000 0.901 53 K CB 0.743 33.237 32.500 -0.011 0.000 1.089 53 K HN -0.161 8.079 8.250 -0.018 0.000 0.476 54 V N 2.778 122.689 119.914 -0.005 0.000 2.881 54 V HA 0.136 4.253 4.120 -0.005 0.000 0.316 54 V C -1.233 174.859 176.094 -0.003 0.000 1.070 54 V CA -1.282 61.016 62.300 -0.004 0.000 0.976 54 V CB 1.452 33.274 31.823 -0.003 0.000 1.038 54 V HN 0.224 8.412 8.190 -0.004 0.000 0.446 55 R N 3.854 124.352 120.500 -0.003 0.000 1.776 55 R HA 0.133 4.472 4.340 -0.002 0.000 0.146 55 R C -0.289 176.011 176.300 -0.001 0.000 2.057 55 R CA 0.064 56.163 56.100 -0.002 0.000 1.641 55 R CB 0.267 30.565 30.300 -0.003 0.000 1.256 55 R HN 0.159 8.427 8.270 -0.003 0.000 0.478 56 S N -0.811 114.888 115.700 -0.001 0.000 2.584 56 S HA 0.142 4.612 4.470 -0.000 0.000 0.270 56 S C 1.732 176.332 174.600 0.000 0.000 1.346 56 S CA -0.408 57.791 58.200 -0.000 0.000 1.018 56 S CB 0.692 63.891 63.200 -0.001 0.000 0.899 56 S HN -0.048 8.261 8.310 -0.002 0.000 0.542 57 R N 2.150 122.651 120.500 0.001 0.000 2.148 57 R HA -0.140 4.200 4.340 0.001 0.000 0.223 57 R C 0.822 177.123 176.300 0.001 0.000 1.088 57 R CA 1.535 57.636 56.100 0.001 0.000 0.985 57 R CB -0.275 30.026 30.300 0.001 0.000 0.880 57 R HN 0.515 8.785 8.270 0.000 0.000 0.451 58 L N -3.095 118.128 121.223 0.000 0.000 2.549 58 L HA -0.114 4.226 4.340 0.001 0.000 0.229 58 L C 0.400 177.270 176.870 0.000 0.000 1.158 58 L CA 0.528 55.368 54.840 0.000 0.000 0.842 58 L CB -0.615 41.444 42.059 0.000 0.000 0.952 58 L HN -0.424 7.768 8.230 0.000 0.038 0.452 59 I N -1.127 119.443 120.570 -0.000 0.000 2.529 59 I HA -0.080 4.089 4.170 -0.001 0.000 0.284 59 I C 1.242 177.359 176.117 -0.000 0.000 1.082 59 I CA -0.866 60.434 61.300 -0.001 0.000 1.406 59 I CB -0.113 37.886 38.000 -0.001 0.000 1.405 59 I HN -0.946 7.191 8.210 -0.000 0.073 0.548 60 E N 8.975 129.175 120.200 -0.000 0.000 2.773 60 E HA -0.045 4.305 4.350 0.001 0.000 0.302 60 E C -0.028 176.572 176.600 0.000 0.000 1.574 60 E CA -0.407 55.993 56.400 0.000 0.000 1.775 60 E CB -2.066 27.634 29.700 0.000 0.000 1.413 60 E HN 0.511 8.871 8.360 -0.001 0.000 0.471 61 Q N 0.788 120.589 119.800 0.001 0.000 2.547 61 Q HA -0.683 3.658 4.340 0.001 0.000 0.463 61 Q C 0.687 176.687 176.000 -0.000 0.000 0.559 61 Q CA 2.295 58.099 55.803 0.001 0.000 0.977 61 Q CB -1.959 26.781 28.738 0.004 0.000 2.344 61 Q HN 0.416 8.589 8.270 0.001 0.098 1.049 62 N N 1.483 120.184 118.700 0.002 0.000 2.165 62 N HA -0.448 4.293 4.740 0.001 0.000 0.198 62 N C 1.685 177.193 175.510 -0.003 0.000 0.999 62 N CA 2.754 55.804 53.050 0.001 0.000 0.893 62 N CB -0.430 38.059 38.487 0.004 0.000 1.025 62 N HN 0.251 8.634 8.380 0.004 0.000 0.456 63 S N 0.487 116.185 115.700 -0.003 0.000 2.441 63 S HA -0.312 4.155 4.470 -0.005 0.000 0.242 63 S C 1.284 175.879 174.600 -0.008 0.000 1.018 63 S CA 2.922 61.120 58.200 -0.005 0.000 0.988 63 S CB 0.030 63.228 63.200 -0.003 0.000 0.778 63 S HN -0.391 7.880 8.310 -0.001 0.038 0.498 64 I N 1.334 121.898 120.570 -0.009 0.000 2.664 64 I HA -0.051 4.112 4.170 -0.012 0.000 0.291 64 I C -2.114 173.992 176.117 -0.018 0.000 1.120 64 I CA -1.462 59.830 61.300 -0.012 0.000 1.503 64 I CB -0.513 37.480 38.000 -0.011 0.000 1.506 64 I HN -0.507 7.658 8.210 -0.007 0.041 0.621 65 E N 3.574 123.761 120.200 -0.020 0.000 2.324 65 E HA -0.127 4.483 4.350 -0.028 -0.277 0.271 65 E C -0.555 176.022 176.600 -0.038 0.000 1.028 65 E CA 0.260 56.642 56.400 -0.029 0.000 0.890 65 E CB 0.159 29.841 29.700 -0.030 0.000 1.004 65 E HN -0.567 7.700 8.360 -0.018 0.082 0.431 66 K N 3.540 123.912 120.400 -0.047 0.000 2.313 66 K HA 0.079 4.367 4.320 -0.053 0.000 0.197 66 K C 0.235 176.789 176.600 -0.077 0.000 1.061 66 K CA 0.753 57.006 56.287 -0.057 0.000 0.980 66 K CB 1.416 33.883 32.500 -0.054 0.000 0.888 66 K HN -0.081 8.583 8.250 -0.044 -0.440 0.502 67 I N 0.356 120.877 120.570 -0.082 0.000 2.352 67 I HA -0.174 4.028 4.170 -0.120 -0.103 0.290 67 I C -0.627 175.420 176.117 -0.116 0.000 1.036 67 I CA 0.471 61.706 61.300 -0.108 0.000 1.336 67 I CB -0.038 37.898 38.000 -0.107 0.000 1.407 67 I HN -0.603 7.869 8.210 -0.070 -0.304 0.497 68 Q N 7.207 126.928 119.800 -0.132 0.000 2.348 68 Q HA 0.367 4.646 4.340 -0.102 0.000 0.271 68 Q C -1.426 174.487 176.000 -0.144 0.000 1.067 68 Q CA -1.935 53.799 55.803 -0.115 0.000 0.839 68 Q CB 4.350 33.039 28.738 -0.081 0.000 1.354 68 Q HN 0.949 9.025 8.270 -0.143 0.108 0.447 69 L N 1.895 123.045 121.223 -0.121 0.000 2.289 69 L HA 0.119 4.347 4.340 -0.187 0.000 0.285 69 L C 0.201 177.051 176.870 -0.034 0.000 1.049 69 L CA 0.089 54.858 54.840 -0.118 0.000 0.804 69 L CB 0.766 42.761 42.059 -0.107 0.000 1.195 69 L HN 0.570 8.745 8.230 -0.093 0.000 0.428 70 I N 1.903 122.477 120.570 0.007 0.000 3.265 70 I HA -0.030 4.166 4.170 0.044 0.000 0.282 70 I C -0.625 175.528 176.117 0.060 0.000 1.207 70 I CA 1.445 62.778 61.300 0.055 0.000 1.449 70 I CB 1.078 39.149 38.000 0.120 0.000 1.121 70 I HN 0.800 9.009 8.210 -0.002 0.000 0.442 71 D N -2.311 118.137 120.400 0.080 0.000 2.766 71 D HA 0.002 4.700 4.640 0.095 0.000 0.244 71 D C -1.511 174.892 176.300 0.171 0.000 1.198 71 D CA -0.194 53.880 54.000 0.124 0.000 0.739 71 D CB 2.052 42.937 40.800 0.142 0.000 1.379 71 D HN -0.577 7.835 8.370 0.070 0.000 0.437 72 D N 0.656 121.165 120.400 0.182 0.000 2.332 72 D HA -0.278 4.377 4.640 0.025 0.000 0.209 72 D C 0.026 176.335 176.300 0.016 0.000 0.988 72 D CA 3.091 57.133 54.000 0.070 0.000 0.912 72 D CB 0.046 40.836 40.800 -0.017 0.000 0.899 72 D HN 0.406 8.884 8.370 0.180 0.000 0.477 73 Y N -6.218 114.206 120.300 0.205 0.000 2.588 73 Y HA 0.096 4.802 4.550 0.259 0.000 0.247 73 Y C -1.524 174.567 175.900 0.319 0.000 1.157 73 Y CA -0.983 57.256 58.100 0.232 0.000 1.215 73 Y CB 0.956 39.478 38.460 0.103 0.000 1.245 73 Y HN -0.579 8.269 8.280 0.518 -0.258 0.534 74 V N 0.414 120.598 119.914 0.450 0.000 2.655 74 V HA 0.553 5.141 4.120 0.526 -0.152 0.301 74 V C -2.858 173.337 176.094 0.170 0.000 1.082 74 V CA -1.830 60.696 62.300 0.377 0.000 0.899 74 V CB 2.895 34.872 31.823 0.256 0.000 1.014 74 V HN 0.150 8.438 8.190 0.359 0.117 0.429 75 A N 7.835 130.695 122.820 0.066 0.000 2.384 75 A HA 0.984 5.303 4.320 -0.152 -0.090 0.312 75 A C -3.013 174.546 177.584 -0.041 0.000 1.113 75 A CA -2.143 49.779 52.037 -0.193 0.000 0.779 75 A CB 4.245 22.817 19.000 -0.712 0.000 1.307 75 A HN 1.083 9.413 8.150 0.299 0.000 0.436 76 A N -0.770 121.970 122.820 -0.134 0.000 2.515 76 A HA 1.130 5.476 4.320 -0.234 -0.167 0.298 76 A C -2.719 174.721 177.584 -0.240 0.000 1.059 76 A CA -1.563 50.316 52.037 -0.263 0.000 0.698 76 A CB 3.978 22.652 19.000 -0.543 0.000 1.289 76 A HN 0.967 8.914 8.150 -0.155 0.110 0.404 77 V N 1.342 121.107 119.914 -0.249 0.000 2.735 77 V HA 0.849 5.040 4.120 -0.159 -0.167 0.310 77 V C -1.904 174.073 176.094 -0.194 0.000 1.061 77 V CA -3.123 59.069 62.300 -0.180 0.000 0.913 77 V CB 3.346 35.091 31.823 -0.131 0.000 1.005 77 V HN 0.315 8.329 8.190 -0.293 0.000 0.428 78 T N 7.857 122.324 114.554 -0.146 0.000 2.916 78 T HA 0.548 4.914 4.350 -0.144 -0.103 0.292 78 T C -1.463 173.189 174.700 -0.081 0.000 1.064 78 T CA -1.740 60.285 62.100 -0.124 0.000 1.011 78 T CB 1.762 70.562 68.868 -0.114 0.000 1.152 78 T HN -0.073 8.094 8.240 -0.121 0.000 0.510 79 S N 2.808 118.471 115.700 -0.062 0.000 2.572 79 S HA 0.336 4.783 4.470 -0.038 0.000 0.274 79 S C -1.620 172.967 174.600 -0.021 0.000 1.150 79 S CA -0.181 57.994 58.200 -0.040 0.000 0.944 79 S CB 2.099 65.274 63.200 -0.041 0.000 1.071 79 S HN 0.708 8.979 8.310 -0.064 0.000 0.479 80 G N 4.158 112.951 108.800 -0.012 0.000 2.236 80 G HA2 -0.076 4.040 3.960 0.005 0.000 0.231 80 G HA3 -0.076 3.998 3.960 0.008 -0.110 0.231 80 G C -2.156 172.746 174.900 0.005 0.000 1.334 80 G CA -0.300 44.802 45.100 0.002 0.000 1.137 80 G HN 0.041 8.322 8.290 -0.015 0.000 0.482 81 L N 3.115 124.347 121.223 0.014 0.000 2.638 81 L HA 0.132 4.477 4.340 0.009 0.000 0.273 81 L C 0.827 177.705 176.870 0.013 0.000 1.147 81 L CA -0.268 54.580 54.840 0.014 0.000 0.941 81 L CB -1.776 40.295 42.059 0.020 0.000 1.251 81 L HN 0.219 8.463 8.230 0.022 0.000 0.479 82 V N 9.387 129.305 119.914 0.006 0.000 2.250 82 V HA -0.511 3.607 4.120 -0.003 0.000 0.250 82 V C 0.825 176.926 176.094 0.011 0.000 1.060 82 V CA 3.744 66.045 62.300 0.003 0.000 1.030 82 V CB -0.007 31.816 31.823 -0.001 0.000 0.643 82 V HN 0.349 8.541 8.190 0.003 0.000 0.445 83 A N -3.040 119.789 122.820 0.015 0.000 1.873 83 A HA -0.360 3.972 4.320 0.021 0.000 0.218 83 A C 1.857 179.466 177.584 0.042 0.000 1.193 83 A CA 3.513 55.564 52.037 0.023 0.000 0.629 83 A CB -1.103 17.907 19.000 0.016 0.000 0.826 83 A HN 0.150 8.306 8.150 0.011 0.000 0.447 84 D N -0.298 120.134 120.400 0.053 0.000 2.106 84 D HA -0.381 4.349 4.640 0.151 0.000 0.191 84 D C 2.041 178.398 176.300 0.095 0.000 0.997 84 D CA 3.223 57.292 54.000 0.114 0.000 0.834 84 D CB -0.610 40.263 40.800 0.121 0.000 0.956 84 D HN -0.323 8.069 8.370 0.036 0.000 0.448 85 A N 0.162 123.008 122.820 0.043 0.000 1.892 85 A HA -0.414 3.900 4.320 -0.009 0.000 0.218 85 A C 1.693 179.279 177.584 0.004 0.000 1.188 85 A CA 3.266 55.306 52.037 0.005 0.000 0.631 85 A CB -0.472 18.519 19.000 -0.015 0.000 0.822 85 A HN 0.277 8.449 8.150 0.037 0.000 0.447 86 R N -1.047 119.462 120.500 0.016 0.000 2.082 86 R HA -0.317 4.027 4.340 0.007 0.000 0.234 86 R C 1.992 178.316 176.300 0.040 0.000 1.136 86 R CA 3.224 59.336 56.100 0.019 0.000 0.935 86 R CB 0.027 30.340 30.300 0.021 0.000 0.842 86 R HN -0.201 8.080 8.270 0.017 0.000 0.430 87 V N 0.235 120.185 119.914 0.060 0.000 2.380 87 V HA -0.349 3.821 4.120 0.084 0.000 0.251 87 V C 1.562 177.704 176.094 0.081 0.000 1.063 87 V CA 3.141 65.493 62.300 0.087 0.000 1.055 87 V CB -0.459 31.436 31.823 0.120 0.000 0.657 87 V HN -0.324 7.902 8.190 0.060 0.000 0.455 88 L N -0.827 120.408 121.223 0.020 0.000 2.093 88 L HA -0.302 3.959 4.340 -0.132 0.000 0.208 88 L C 2.173 179.091 176.870 0.080 0.000 1.085 88 L CA 3.304 58.110 54.840 -0.057 0.000 0.755 88 L CB -0.461 41.491 42.059 -0.179 0.000 0.904 88 L HN -0.155 8.090 8.230 0.029 0.002 0.435 89 V N 0.472 120.424 119.914 0.062 0.000 2.261 89 V HA -0.554 3.635 4.120 0.115 0.000 0.246 89 V C 2.152 178.309 176.094 0.105 0.000 1.047 89 V CA 3.882 66.230 62.300 0.081 0.000 1.015 89 V CB -1.116 30.721 31.823 0.023 0.000 0.642 89 V HN 0.021 8.138 8.190 0.030 0.091 0.446 90 D N -0.124 120.329 120.400 0.087 0.000 2.133 90 D HA -0.360 4.308 4.640 0.047 0.000 0.195 90 D C 2.115 178.469 176.300 0.089 0.000 0.997 90 D CA 3.666 57.711 54.000 0.074 0.000 0.840 90 D CB -0.378 40.462 40.800 0.068 0.000 0.947 90 D HN -0.217 8.197 8.370 0.074 0.000 0.452 91 F N 0.480 120.432 119.950 0.004 0.000 2.095 91 F HA -0.472 4.057 4.527 0.003 0.000 0.298 91 F C 0.762 176.563 175.800 0.000 0.000 1.104 91 F CA 3.641 61.639 58.000 -0.004 0.000 1.232 91 F CB -0.050 38.930 39.000 -0.033 0.000 0.987 91 F HN -0.424 8.027 8.300 0.255 0.002 0.475 92 A N -0.773 122.154 122.820 0.178 0.000 1.940 92 A HA -0.449 3.881 4.320 0.016 0.000 0.219 92 A C 2.035 179.602 177.584 -0.030 0.000 1.176 92 A CA 3.159 55.247 52.037 0.086 0.000 0.631 92 A CB -0.753 18.410 19.000 0.272 0.000 0.814 92 A HN -0.069 8.206 8.150 0.316 0.065 0.446 93 R N -1.355 119.144 120.500 -0.003 0.000 2.070 93 R HA -0.314 4.030 4.340 0.006 0.000 0.233 93 R C 2.631 178.888 176.300 -0.072 0.000 1.137 93 R CA 3.694 59.783 56.100 -0.018 0.000 0.945 93 R CB 0.187 30.488 30.300 0.002 0.000 0.845 93 R HN -0.039 8.162 8.270 0.041 0.093 0.430 94 I N -2.626 117.872 120.570 -0.120 0.000 2.202 94 I HA -0.396 3.718 4.170 -0.093 0.000 0.242 94 I C 1.275 177.267 176.117 -0.209 0.000 1.091 94 I CA 3.930 65.143 61.300 -0.145 0.000 1.368 94 I CB -0.289 37.621 38.000 -0.150 0.000 1.058 94 I HN -0.031 8.111 8.210 -0.114 0.000 0.410 95 S N 0.645 116.127 115.700 -0.363 0.000 2.387 95 S HA -0.511 3.745 4.470 -0.356 0.000 0.230 95 S C 2.033 176.520 174.600 -0.188 0.000 1.035 95 S CA 3.591 61.568 58.200 -0.373 0.000 1.014 95 S CB -0.237 62.622 63.200 -0.568 0.000 0.836 95 S HN 0.238 8.269 8.310 -0.466 0.000 0.466 96 A N 1.125 123.863 122.820 -0.138 0.000 1.858 96 A HA -0.413 3.860 4.320 -0.079 0.000 0.216 96 A C 2.022 179.574 177.584 -0.053 0.000 1.190 96 A CA 3.152 55.143 52.037 -0.075 0.000 0.617 96 A CB -0.752 18.227 19.000 -0.035 0.000 0.827 96 A HN -0.063 7.911 8.150 -0.146 0.089 0.443 97 Q N -1.930 117.838 119.800 -0.054 0.000 2.112 97 Q HA -0.417 3.912 4.340 -0.019 0.000 0.206 97 Q C 2.779 178.756 176.000 -0.038 0.000 0.987 97 Q CA 2.549 58.330 55.803 -0.036 0.000 0.858 97 Q CB -0.865 27.850 28.738 -0.038 0.000 0.905 97 Q HN -0.416 7.751 8.270 -0.065 0.063 0.420 98 Q N -0.481 119.282 119.800 -0.061 0.000 2.014 98 Q HA -0.448 3.862 4.340 -0.050 0.000 0.207 98 Q C 2.088 178.081 176.000 -0.011 0.000 0.993 98 Q CA 3.476 59.247 55.803 -0.052 0.000 0.850 98 Q CB -0.359 28.331 28.738 -0.079 0.000 0.916 98 Q HN 0.260 8.471 8.270 -0.089 0.005 0.417 99 E N -0.706 119.502 120.200 0.013 0.000 2.097 99 E HA -0.417 4.053 4.350 0.201 0.000 0.196 99 E C 2.239 178.907 176.600 0.113 0.000 1.000 99 E CA 3.040 59.506 56.400 0.110 0.000 0.804 99 E CB -0.326 29.414 29.700 0.067 0.000 0.740 99 E HN -0.601 7.745 8.360 -0.024 0.000 0.454 100 K N -0.754 119.670 120.400 0.039 0.000 2.009 100 K HA -0.361 4.056 4.320 0.037 -0.075 0.210 100 K C 2.389 178.999 176.600 0.016 0.000 1.049 100 K CA 3.215 59.518 56.287 0.026 0.000 0.929 100 K CB -0.015 32.487 32.500 0.004 0.000 0.714 100 K HN -0.576 7.607 8.250 0.012 0.074 0.440 101 V N -1.785 118.125 119.914 -0.007 0.000 2.626 101 V HA -0.295 3.813 4.120 -0.020 0.000 0.252 101 V C 1.558 177.620 176.094 -0.055 0.000 1.067 101 V CA 3.143 65.427 62.300 -0.027 0.000 1.081 101 V CB 0.033 31.836 31.823 -0.033 0.000 0.686 101 V HN 0.071 8.255 8.190 -0.010 0.000 0.468 102 T N -0.318 114.187 114.554 -0.081 0.000 2.866 102 T HA -0.188 4.055 4.350 -0.178 0.000 0.250 102 T C 1.299 175.835 174.700 -0.274 0.000 1.033 102 T CA 2.611 64.584 62.100 -0.212 0.000 1.145 102 T CB 1.014 69.686 68.868 -0.326 0.000 0.866 102 T HN -0.327 7.868 8.240 -0.043 0.019 0.434 103 Y N -0.956 119.324 120.300 -0.033 0.000 2.523 103 Y HA 0.027 4.560 4.550 -0.028 0.000 0.279 103 Y C 0.625 176.506 175.900 -0.032 0.000 1.139 103 Y CA 0.938 59.019 58.100 -0.032 0.000 1.296 103 Y CB 0.572 39.010 38.460 -0.036 0.000 1.045 103 Y HN 0.101 8.426 8.280 0.075 0.000 0.538 104 G N -2.300 106.550 108.800 0.083 0.000 2.176 104 G HA2 -0.414 3.638 3.960 0.016 0.000 0.253 104 G HA3 -0.414 3.564 3.960 0.031 0.000 0.253 104 G C -0.718 174.200 174.900 0.030 0.000 0.979 104 G CA -0.006 45.117 45.100 0.038 0.000 0.641 104 G HN -0.086 8.113 8.290 0.063 0.129 0.530 105 S N -1.582 114.147 115.700 0.049 0.000 2.579 105 S HA 0.031 4.486 4.470 -0.024 0.000 0.290 105 S C -1.718 172.872 174.600 -0.017 0.000 1.123 105 S CA -0.317 57.881 58.200 -0.004 0.000 0.894 105 S CB 1.408 64.593 63.200 -0.024 0.000 1.095 105 S HN -0.466 7.839 8.310 0.108 0.070 0.450 106 L N 7.829 129.022 121.223 -0.049 0.000 2.404 106 L HA 0.185 4.488 4.340 -0.061 0.000 0.277 106 L C -1.433 175.385 176.870 -0.086 0.000 1.184 106 L CA -1.051 53.751 54.840 -0.064 0.000 1.013 106 L CB -1.629 40.398 42.059 -0.053 0.000 1.318 106 L HN 0.470 8.663 8.230 -0.062 0.000 0.435 107 V N 6.180 126.034 119.914 -0.101 0.000 2.270 107 V HA -0.162 3.905 4.120 -0.087 0.000 0.245 107 V C -1.251 174.791 176.094 -0.087 0.000 1.043 107 V CA 1.637 63.877 62.300 -0.099 0.000 1.014 107 V CB 1.087 32.838 31.823 -0.121 0.000 0.645 107 V HN -0.341 7.758 8.190 -0.114 0.024 0.447 108 N N -3.734 114.903 118.700 -0.105 0.000 2.442 108 N HA 0.188 5.120 4.740 -0.052 -0.223 0.274 108 N C 0.358 175.800 175.510 -0.113 0.000 1.002 108 N CA -1.806 51.192 53.050 -0.087 0.000 0.910 108 N CB 0.758 39.191 38.487 -0.089 0.000 1.244 108 N HN -0.697 7.602 8.380 -0.134 0.000 0.492 109 I N 5.994 126.512 120.570 -0.087 0.000 2.493 109 I HA -0.348 3.736 4.170 -0.144 0.000 0.254 109 I C 0.353 176.255 176.117 -0.360 0.000 1.160 109 I CA 2.127 63.341 61.300 -0.142 0.000 1.445 109 I CB 0.481 38.472 38.000 -0.015 0.000 1.086 109 I HN -0.032 8.419 8.210 -0.031 -0.260 0.433 110 E N 0.501 120.465 120.200 -0.393 0.000 2.085 110 E HA -0.509 2.824 4.350 -1.695 0.000 0.194 110 E C 1.624 177.919 176.600 -0.508 0.000 0.994 110 E CA 3.795 59.750 56.400 -0.742 0.000 0.801 110 E CB -0.531 29.016 29.700 -0.255 0.000 0.743 110 E HN 0.500 9.059 8.360 -0.174 -0.304 0.453 111 N N -0.567 117.951 118.700 -0.302 0.000 2.166 111 N HA -0.258 4.362 4.740 -0.200 0.000 0.186 111 N C 2.174 177.534 175.510 -0.250 0.000 1.019 111 N CA 3.198 56.111 53.050 -0.229 0.000 0.856 111 N CB -0.064 38.321 38.487 -0.171 0.000 0.993 111 N HN -0.687 7.533 8.380 -0.246 0.013 0.426 112 L N -0.281 120.765 121.223 -0.295 0.000 2.017 112 L HA -0.235 3.976 4.340 -0.215 0.000 0.208 112 L C 1.433 178.038 176.870 -0.442 0.000 1.073 112 L CA 2.813 57.469 54.840 -0.307 0.000 0.745 112 L CB -0.456 41.425 42.059 -0.296 0.000 0.894 112 L HN -0.827 7.130 8.230 -0.293 0.097 0.432 113 V N -0.834 118.683 119.914 -0.662 0.000 2.407 113 V HA -0.533 2.950 4.120 -1.061 0.000 0.248 113 V C 1.396 177.262 176.094 -0.379 0.000 1.055 113 V CA 3.532 65.372 62.300 -0.768 0.000 1.049 113 V CB -0.348 30.980 31.823 -0.825 0.000 0.662 113 V HN -0.393 7.396 8.190 -0.669 0.000 0.455 114 K N -0.437 119.780 120.400 -0.304 0.000 2.032 114 K HA -0.426 3.823 4.320 -0.118 0.000 0.209 114 K C 2.334 178.883 176.600 -0.085 0.000 1.048 114 K CA 4.193 60.387 56.287 -0.155 0.000 0.927 114 K CB -0.417 32.005 32.500 -0.129 0.000 0.712 114 K HN -0.035 7.985 8.250 -0.384 0.000 0.441 115 R N -1.130 119.325 120.500 -0.074 0.000 2.081 115 R HA -0.301 4.066 4.340 0.045 0.000 0.235 115 R C 2.234 178.608 176.300 0.123 0.000 1.131 115 R CA 3.363 59.489 56.100 0.042 0.000 0.960 115 R CB -0.018 30.318 30.300 0.061 0.000 0.856 115 R HN -0.307 7.885 8.270 -0.130 0.000 0.436 116 V N -0.708 119.263 119.914 0.095 0.000 2.667 116 V HA -0.281 3.867 4.120 0.047 0.000 0.252 116 V C 1.041 177.084 176.094 -0.085 0.000 1.065 116 V CA 2.691 65.028 62.300 0.062 0.000 1.083 116 V CB -0.414 31.496 31.823 0.145 0.000 0.692 116 V HN -0.600 7.583 8.190 -0.012 0.000 0.468 117 A N 1.470 124.263 122.820 -0.044 0.000 1.855 117 A HA -0.288 4.023 4.320 -0.015 0.000 0.215 117 A C 1.735 179.306 177.584 -0.021 0.000 1.191 117 A CA 3.188 55.211 52.037 -0.023 0.000 0.613 117 A CB -0.508 18.490 19.000 -0.004 0.000 0.829 117 A HN 0.095 8.121 8.150 -0.056 0.091 0.442 118 D N -1.464 118.932 120.400 -0.007 0.000 2.133 118 D HA -0.399 4.266 4.640 0.041 0.000 0.195 118 D C 2.504 178.816 176.300 0.019 0.000 0.997 118 D CA 3.587 57.600 54.000 0.023 0.000 0.840 118 D CB -0.973 39.849 40.800 0.036 0.000 0.947 118 D HN -0.025 8.339 8.370 -0.010 0.000 0.452 119 Q N -0.759 118.994 119.800 -0.080 0.000 2.045 119 Q HA -0.332 3.972 4.340 -0.060 0.000 0.206 119 Q C 2.524 178.505 176.000 -0.030 0.000 0.991 119 Q CA 2.869 58.571 55.803 -0.170 0.000 0.851 119 Q CB -0.179 28.165 28.738 -0.656 0.000 0.911 119 Q HN -0.585 7.624 8.270 -0.098 0.002 0.418 120 M N -1.300 118.219 119.600 -0.135 0.000 2.086 120 M HA -0.371 4.092 4.480 -0.027 0.000 0.261 120 M C 2.627 179.026 176.300 0.165 0.000 1.067 120 M CA 3.683 58.967 55.300 -0.026 0.000 1.116 120 M CB -0.128 32.422 32.600 -0.084 0.000 1.348 120 M HN -0.502 7.598 8.290 -0.204 0.067 0.407 121 Q N -0.137 119.733 119.800 0.117 0.000 2.135 121 Q HA -0.335 4.191 4.340 0.109 -0.121 0.204 121 Q C 3.002 179.119 176.000 0.195 0.000 0.981 121 Q CA 3.000 58.881 55.803 0.129 0.000 0.856 121 Q CB -0.451 28.339 28.738 0.087 0.000 0.902 121 Q HN 0.199 8.338 8.270 0.061 0.168 0.425 122 Q N -0.574 119.388 119.800 0.269 0.000 2.096 122 Q HA -0.332 4.229 4.340 0.369 0.000 0.204 122 Q C 2.179 178.379 176.000 0.334 0.000 0.982 122 Q CA 3.199 59.209 55.803 0.345 0.000 0.850 122 Q CB -0.109 28.788 28.738 0.264 0.000 0.901 122 Q HN -0.017 8.384 8.270 0.240 0.013 0.422 123 Y N -4.669 115.726 120.300 0.157 0.000 2.639 123 Y HA -0.147 4.474 4.550 0.118 0.000 0.297 123 Y C 0.833 176.764 175.900 0.052 0.000 1.151 123 Y CA 1.229 59.392 58.100 0.105 0.000 1.335 123 Y CB -0.848 37.655 38.460 0.072 0.000 0.994 123 Y HN -0.602 8.152 8.280 0.799 0.006 0.548 124 T N -2.018 112.642 114.554 0.177 0.000 2.985 124 T HA -0.161 4.208 4.350 0.030 0.000 0.266 124 T C 0.491 175.160 174.700 -0.051 0.000 1.076 124 T CA 3.318 65.445 62.100 0.044 0.000 1.135 124 T CB 0.752 69.638 68.868 0.030 0.000 0.890 124 T HN -0.158 8.005 8.240 0.222 0.210 0.480 125 Q N -2.064 117.700 119.800 -0.060 0.000 2.171 125 Q HA 0.104 4.337 4.340 -0.177 0.000 0.250 125 Q C 1.424 177.282 176.000 -0.237 0.000 0.791 125 Q CA 0.175 55.867 55.803 -0.184 0.000 0.950 125 Q CB 1.296 29.886 28.738 -0.247 0.000 1.151 125 Q HN -0.530 7.615 8.270 0.019 0.136 0.480 126 Y N 3.613 123.863 120.300 -0.082 0.000 2.922 126 Y HA -0.215 4.287 4.550 -0.079 0.000 0.379 126 Y C -0.100 175.734 175.900 -0.110 0.000 1.057 126 Y CA 1.240 59.274 58.100 -0.109 0.000 1.687 126 Y CB -2.217 36.144 38.460 -0.165 0.000 1.707 126 Y HN -0.152 8.175 8.280 0.078 0.000 0.462 127 G N -0.475 108.322 108.800 -0.005 0.000 2.651 127 G HA2 -0.462 3.647 3.960 -0.028 0.000 0.315 127 G HA3 -0.462 3.501 3.960 0.004 0.000 0.315 127 G C 0.417 175.310 174.900 -0.010 0.000 1.258 127 G CA -0.069 45.026 45.100 -0.009 0.000 1.002 127 G HN -0.321 7.833 8.290 -0.063 0.098 0.551 128 G N 2.604 111.398 108.800 -0.009 0.000 2.641 128 G HA2 -0.164 3.973 3.960 -0.009 0.000 0.278 128 G HA3 -0.164 3.825 3.960 -0.013 -0.037 0.278 128 G C -0.715 174.169 174.900 -0.025 0.000 0.655 128 G CA 0.558 45.649 45.100 -0.015 0.000 2.105 128 G HN 0.260 8.458 8.290 -0.003 0.090 0.558 129 V N -0.867 119.037 119.914 -0.017 0.000 2.903 129 V HA 0.056 4.180 4.120 0.007 0.000 0.289 129 V C -2.163 173.964 176.094 0.055 0.000 1.355 129 V CA -0.865 61.437 62.300 0.003 0.000 0.953 129 V CB 3.417 35.191 31.823 -0.082 0.000 1.102 129 V HN -0.114 8.025 8.190 -0.008 0.046 0.435 130 R N 8.018 128.546 120.500 0.046 0.000 2.438 130 R HA 0.220 4.576 4.340 0.027 0.000 0.287 130 R C -1.927 174.380 176.300 0.011 0.000 1.077 130 R CA -1.766 54.347 56.100 0.021 0.000 1.034 130 R CB 0.476 30.767 30.300 -0.015 0.000 0.993 130 R HN 0.255 8.542 8.270 0.029 0.000 0.459 131 P HA -0.046 4.438 4.420 0.107 0.000 0.270 131 P C -1.318 175.933 177.300 -0.083 0.000 1.223 131 P CA -0.170 62.946 63.100 0.027 0.000 0.785 131 P CB 0.603 32.335 31.700 0.055 0.000 0.923 132 Y N -0.256 119.981 120.300 -0.105 0.000 2.587 132 Y HA -0.112 4.512 4.550 -0.129 -0.151 0.344 132 Y C 1.578 177.444 175.900 -0.056 0.000 1.061 132 Y CA 1.048 59.071 58.100 -0.129 0.000 1.370 132 Y CB -0.144 38.195 38.460 -0.202 0.000 1.163 132 Y HN 0.275 8.641 8.280 0.143 0.000 0.527 133 G N 6.069 114.914 108.800 0.076 0.000 3.101 133 G HA2 0.008 4.007 3.960 0.065 0.000 0.272 133 G HA3 0.008 3.995 3.960 0.045 0.000 0.272 133 G C -2.547 172.388 174.900 0.059 0.000 0.801 133 G CA 0.150 45.287 45.100 0.062 0.000 1.978 133 G HN 0.784 9.381 8.290 0.036 -0.285 0.591 134 V N 1.556 121.506 119.914 0.061 0.000 3.225 134 V HA 0.758 5.014 4.120 0.021 -0.124 0.293 134 V C -3.124 172.980 176.094 0.017 0.000 1.405 134 V CA -1.719 60.600 62.300 0.031 0.000 1.038 134 V CB 3.581 35.418 31.823 0.024 0.000 1.123 134 V HN -0.386 7.808 8.190 0.075 0.041 0.447 135 S N 2.119 117.817 115.700 -0.003 0.000 2.634 135 S HA 0.951 5.558 4.470 0.011 -0.130 0.296 135 S C -1.699 172.872 174.600 -0.049 0.000 1.104 135 S CA -1.557 56.640 58.200 -0.006 0.000 0.920 135 S CB 2.949 66.151 63.200 0.003 0.000 1.111 135 S HN 0.320 8.623 8.310 -0.011 0.000 0.493 136 L N -4.819 116.366 121.223 -0.064 0.000 2.710 136 L HA 0.794 5.144 4.340 -0.162 -0.107 0.260 136 L C -2.337 174.427 176.870 -0.178 0.000 0.993 136 L CA -0.275 54.459 54.840 -0.176 0.000 0.877 136 L CB 3.347 45.223 42.059 -0.304 0.000 1.461 136 L HN 0.771 8.994 8.230 -0.012 0.000 0.413 137 I N -6.438 113.976 120.570 -0.261 0.000 2.545 137 I HA 0.769 5.083 4.170 0.053 -0.112 0.292 137 I C -2.182 173.796 176.117 -0.233 0.000 1.040 137 I CA -1.910 59.319 61.300 -0.117 0.000 1.068 137 I CB 3.691 41.666 38.000 -0.041 0.000 1.251 137 I HN 0.505 8.535 8.210 -0.299 0.000 0.424 138 F N 5.470 125.499 119.950 0.130 0.000 2.421 138 F HA 0.700 5.423 4.527 0.091 -0.141 0.337 138 F C -0.981 174.936 175.800 0.195 0.000 1.105 138 F CA -2.052 56.031 58.000 0.139 0.000 1.049 138 F CB 2.930 42.005 39.000 0.125 0.000 1.139 138 F HN 0.534 9.001 8.300 0.453 0.105 0.479 139 A N 0.398 123.425 122.820 0.344 0.000 2.549 139 A HA 1.209 5.962 4.320 0.298 -0.254 0.297 139 A C -1.170 176.637 177.584 0.371 0.000 1.061 139 A CA -1.482 50.737 52.037 0.303 0.000 0.690 139 A CB 4.050 23.181 19.000 0.218 0.000 1.287 139 A HN 0.878 9.214 8.150 0.310 0.000 0.402 140 G N 0.174 109.128 108.800 0.256 0.000 2.317 140 G HA2 0.279 4.272 3.960 0.055 0.000 0.293 140 G HA3 0.279 4.598 3.960 0.331 -0.161 0.293 140 G C -3.356 171.598 174.900 0.089 0.000 1.287 140 G CA 0.894 46.117 45.100 0.205 0.000 0.850 140 G HN 0.235 8.639 8.290 0.191 0.000 0.515 141 I N 0.741 121.355 120.570 0.072 0.000 2.436 141 I HA 0.816 5.161 4.170 0.040 -0.151 0.289 141 I C -2.456 173.706 176.117 0.075 0.000 1.010 141 I CA -3.208 58.121 61.300 0.048 0.000 1.098 141 I CB 2.533 40.531 38.000 -0.003 0.000 1.266 141 I HN -0.408 7.871 8.210 0.114 0.000 0.434 142 D N 8.772 129.201 120.400 0.049 0.000 2.627 142 D HA 0.285 4.922 4.640 -0.005 0.000 0.259 142 D C 0.330 176.625 176.300 -0.008 0.000 1.164 142 D CA -1.691 52.318 54.000 0.014 0.000 1.087 142 D CB 1.471 42.283 40.800 0.019 0.000 1.217 142 D HN 0.218 8.618 8.370 0.050 0.000 0.630 143 Q N -1.015 118.769 119.800 -0.028 0.000 2.181 143 Q HA -0.243 4.075 4.340 -0.036 0.000 0.205 143 Q C 1.526 177.517 176.000 -0.015 0.000 0.980 143 Q CA 2.502 58.287 55.803 -0.031 0.000 0.862 143 Q CB -0.047 28.666 28.738 -0.043 0.000 0.905 143 Q HN -0.046 8.202 8.270 -0.037 0.000 0.429 144 I N -4.162 116.406 120.570 -0.003 0.000 2.480 144 I HA -0.117 4.051 4.170 -0.003 0.000 0.251 144 I C 0.532 176.651 176.117 0.004 0.000 1.124 144 I CA 0.889 62.191 61.300 0.003 0.000 1.444 144 I CB 0.948 38.959 38.000 0.017 0.000 1.098 144 I HN -0.117 8.382 8.210 0.001 -0.289 0.428 145 G N -3.372 105.433 108.800 0.008 0.000 2.339 145 G HA2 -0.079 3.878 3.960 -0.006 0.000 0.275 145 G HA3 -0.079 3.876 3.960 -0.008 0.000 0.275 145 G C -3.443 171.455 174.900 -0.003 0.000 1.323 145 G CA -0.219 44.880 45.100 -0.003 0.000 0.927 145 G HN -0.437 8.047 8.290 0.014 -0.185 0.486 146 P HA 0.183 4.695 4.420 -0.050 -0.122 0.271 146 P C -1.779 175.507 177.300 -0.023 0.000 1.216 146 P CA 0.005 63.070 63.100 -0.058 0.000 0.771 146 P CB 0.284 31.901 31.700 -0.139 0.000 0.864 147 R N 0.695 121.213 120.500 0.030 0.000 2.673 147 R HA 0.415 4.730 4.340 -0.042 0.000 0.281 147 R C -2.020 174.335 176.300 0.091 0.000 0.991 147 R CA -1.377 54.761 56.100 0.065 0.000 0.896 147 R CB 4.394 34.857 30.300 0.273 0.000 1.201 147 R HN 0.965 9.262 8.270 0.046 0.000 0.457 148 L N 3.576 124.757 121.223 -0.070 0.000 2.415 148 L HA 0.690 5.303 4.340 0.164 -0.174 0.268 148 L C -2.497 174.313 176.870 -0.100 0.000 0.984 148 L CA -0.556 54.293 54.840 0.015 0.000 0.853 148 L CB 2.773 44.826 42.059 -0.010 0.000 1.215 148 L HN 0.231 8.293 8.230 -0.280 0.000 0.419 149 F N 6.209 126.284 119.950 0.209 0.000 2.561 149 F HA 1.068 5.940 4.527 0.248 -0.197 0.321 149 F C -1.058 174.915 175.800 0.288 0.000 1.065 149 F CA -2.100 56.048 58.000 0.247 0.000 0.934 149 F CB 4.418 43.537 39.000 0.197 0.000 1.215 149 F HN 1.013 9.612 8.300 0.499 0.000 0.471 150 D N -0.488 120.208 120.400 0.493 0.000 2.493 150 D HA 0.620 5.547 4.640 0.275 -0.122 0.239 150 D C -1.645 174.847 176.300 0.320 0.000 1.049 150 D CA -1.968 52.233 54.000 0.335 0.000 1.008 150 D CB 4.033 44.960 40.800 0.212 0.000 1.398 150 D HN 0.392 9.072 8.370 0.516 0.000 0.513 151 C N 0.165 119.597 119.300 0.220 0.000 2.871 151 C HA 0.774 5.582 4.460 0.178 -0.242 0.378 151 C C -2.066 172.989 174.990 0.108 0.000 1.052 151 C CA -1.913 57.215 59.018 0.183 0.000 1.250 151 C CB 2.934 30.817 27.740 0.238 0.000 1.689 151 C HN 0.565 8.888 8.230 0.155 0.000 0.506 152 D N 7.664 128.119 120.400 0.091 0.000 2.478 152 D HA 0.608 5.280 4.640 0.054 0.000 0.263 152 D C -0.898 175.435 176.300 0.055 0.000 1.153 152 D CA -2.604 51.435 54.000 0.065 0.000 1.038 152 D CB -0.608 40.232 40.800 0.066 0.000 1.120 152 D HN -0.159 8.273 8.370 0.103 0.000 0.564 153 P HA -0.137 4.321 4.420 0.064 0.000 0.221 153 P C -0.407 176.929 177.300 0.059 0.000 1.145 153 P CA 1.868 65.003 63.100 0.059 0.000 0.795 153 P CB 0.136 31.873 31.700 0.061 0.000 0.775 154 A N -6.544 116.305 122.820 0.050 0.000 2.066 154 A HA -0.165 4.177 4.320 0.037 0.000 0.218 154 A C 0.358 177.972 177.584 0.050 0.000 1.157 154 A CA 0.655 52.717 52.037 0.043 0.000 0.670 154 A CB 0.149 19.169 19.000 0.034 0.000 0.804 154 A HN -0.142 8.215 8.150 0.049 -0.177 0.453 155 G N -4.060 104.771 108.800 0.052 0.000 2.144 155 G HA2 -0.320 3.664 3.960 0.039 0.000 0.218 155 G HA3 -0.320 3.668 3.960 0.047 0.000 0.218 155 G C -0.283 174.649 174.900 0.054 0.000 0.988 155 G CA -0.114 45.014 45.100 0.048 0.000 0.659 155 G HN -0.015 8.244 8.290 0.053 0.063 0.522 156 T N 2.714 117.305 114.554 0.062 0.000 2.907 156 T HA 0.015 4.400 4.350 0.058 0.000 0.298 156 T C -1.415 173.342 174.700 0.095 0.000 1.017 156 T CA 1.533 63.674 62.100 0.068 0.000 1.118 156 T CB 0.992 69.899 68.868 0.066 0.000 0.948 156 T HN 0.102 8.644 8.240 0.061 -0.266 0.531 157 I N 3.289 123.919 120.570 0.099 0.000 2.619 157 I HA 0.617 5.101 4.170 0.192 -0.198 0.292 157 I C -2.451 173.748 176.117 0.137 0.000 1.100 157 I CA -2.270 59.121 61.300 0.151 0.000 1.043 157 I CB 3.458 41.543 38.000 0.141 0.000 1.239 157 I HN 0.140 8.396 8.210 0.077 0.000 0.420 158 N N 7.243 126.037 118.700 0.158 0.000 2.494 158 N HA 0.264 4.980 4.740 -0.041 0.000 0.270 158 N C -2.806 172.609 175.510 -0.159 0.000 1.285 158 N CA -0.582 52.433 53.050 -0.058 0.000 0.812 158 N CB 3.935 42.246 38.487 -0.293 0.000 1.557 158 N HN 0.026 8.664 8.380 0.258 -0.103 0.487 159 E N 0.268 120.218 120.200 -0.418 0.000 2.179 159 E HA 0.657 4.792 4.350 -0.648 -0.174 0.275 159 E C -1.157 175.097 176.600 -0.576 0.000 0.945 159 E CA -1.397 54.635 56.400 -0.614 0.000 0.792 159 E CB 1.894 31.140 29.700 -0.756 0.000 1.125 159 E HN 0.159 8.301 8.360 -0.363 0.000 0.397 160 Y N 5.799 125.934 120.300 -0.275 0.000 2.659 160 Y HA 0.095 4.546 4.550 -0.165 0.000 0.333 160 Y C -1.438 174.340 175.900 -0.203 0.000 1.064 160 Y CA -0.794 57.189 58.100 -0.196 0.000 1.141 160 Y CB 2.792 41.155 38.460 -0.160 0.000 1.316 160 Y HN 0.458 8.672 8.280 -0.110 0.000 0.509 161 K N -1.545 118.849 120.400 -0.009 0.000 2.308 161 K HA -0.064 4.216 4.320 -0.068 0.000 0.197 161 K C -1.194 175.244 176.600 -0.270 0.000 1.049 161 K CA 0.641 56.857 56.287 -0.119 0.000 0.991 161 K CB 1.116 33.537 32.500 -0.131 0.000 0.836 161 K HN 0.274 8.551 8.250 0.044 0.000 0.500 162 A N -4.810 117.840 122.820 -0.283 0.000 2.605 162 A HA 0.534 4.842 4.320 -0.242 -0.133 0.294 162 A C -1.789 175.621 177.584 -0.290 0.000 1.062 162 A CA -0.392 51.433 52.037 -0.354 0.000 0.682 162 A CB 2.088 20.657 19.000 -0.718 0.000 1.278 162 A HN -0.777 7.301 8.150 -0.119 0.000 0.410 163 T N -0.523 113.844 114.554 -0.312 0.000 2.676 163 T HA 0.207 4.341 4.350 -0.359 0.000 0.308 163 T C -2.624 171.901 174.700 -0.291 0.000 1.740 163 T CA -0.252 61.588 62.100 -0.434 0.000 0.982 163 T CB 1.639 69.874 68.868 -1.055 0.000 1.724 163 T HN 0.579 8.675 8.240 -0.239 0.000 0.497 164 A N 0.400 123.060 122.820 -0.266 0.000 2.567 164 A HA 0.503 4.794 4.320 -0.161 -0.068 0.289 164 A C -3.230 174.262 177.584 -0.153 0.000 1.177 164 A CA -1.187 50.746 52.037 -0.173 0.000 0.694 164 A CB 3.086 22.012 19.000 -0.123 0.000 1.292 164 A HN 0.133 8.093 8.150 -0.317 0.000 0.425 165 I N -2.300 118.207 120.570 -0.106 0.000 3.099 165 I HA 0.203 4.332 4.170 -0.070 0.000 0.308 165 I C -1.659 174.424 176.117 -0.057 0.000 1.405 165 I CA -1.436 59.816 61.300 -0.079 0.000 0.953 165 I CB 4.247 42.198 38.000 -0.080 0.000 1.324 165 I HN 0.652 8.803 8.210 -0.098 0.000 0.495 166 G N 1.997 110.774 108.800 -0.039 0.000 2.482 166 G HA2 -0.370 3.707 3.960 -0.024 0.000 0.214 166 G HA3 -0.370 3.822 3.960 -0.036 -0.253 0.214 166 G C 0.106 174.994 174.900 -0.019 0.000 1.271 166 G CA 0.288 45.370 45.100 -0.029 0.000 0.944 166 G HN -0.311 7.960 8.290 -0.032 0.000 0.568 167 S N 3.775 119.465 115.700 -0.016 0.000 2.344 167 S HA -0.084 4.648 4.470 -0.004 -0.264 0.217 167 S C 2.392 176.988 174.600 -0.007 0.000 1.033 167 S CA 2.405 60.600 58.200 -0.009 0.000 1.017 167 S CB 0.131 63.326 63.200 -0.008 0.000 0.941 167 S HN -0.069 8.125 8.310 -0.020 0.105 0.430 168 G N -0.044 108.749 108.800 -0.012 0.000 3.374 168 G HA2 0.092 4.053 3.960 0.002 0.000 0.252 168 G HA3 0.092 4.048 3.960 -0.007 0.000 0.252 168 G C -0.619 174.275 174.900 -0.010 0.000 1.326 168 G CA -0.738 44.358 45.100 -0.006 0.000 1.133 168 G HN 0.401 8.680 8.290 -0.017 0.000 0.528 169 K N 2.238 122.629 120.400 -0.015 0.000 1.969 169 K HA -0.345 3.952 4.320 -0.039 0.000 0.216 169 K C 0.864 177.460 176.600 -0.007 0.000 1.048 169 K CA 3.777 60.050 56.287 -0.023 0.000 0.948 169 K CB -0.026 32.458 32.500 -0.027 0.000 0.726 169 K HN -0.745 7.403 8.250 -0.013 0.094 0.442 170 D N -1.064 119.339 120.400 0.006 0.000 2.191 170 D HA -0.390 4.261 4.640 0.018 0.000 0.195 170 D C 1.736 178.054 176.300 0.030 0.000 1.003 170 D CA 3.570 57.581 54.000 0.018 0.000 0.867 170 D CB -0.854 39.959 40.800 0.022 0.000 0.926 170 D HN 0.361 8.734 8.370 0.005 0.000 0.450 171 A N -0.020 122.820 122.820 0.032 0.000 1.825 171 A HA -0.254 4.101 4.320 0.059 0.000 0.214 171 A C 1.674 179.309 177.584 0.084 0.000 1.206 171 A CA 2.815 54.885 52.037 0.055 0.000 0.609 171 A CB -0.747 18.281 19.000 0.048 0.000 0.851 171 A HN -0.226 7.925 8.150 0.023 0.013 0.445 172 V N -0.076 119.870 119.914 0.053 0.000 2.392 172 V HA -0.399 3.773 4.120 0.087 0.000 0.249 172 V C 1.618 177.748 176.094 0.061 0.000 1.059 172 V CA 3.342 65.668 62.300 0.042 0.000 1.051 172 V CB 0.097 31.899 31.823 -0.036 0.000 0.658 172 V HN -0.252 7.953 8.190 0.026 0.000 0.455 173 V N -0.237 119.694 119.914 0.028 0.000 2.343 173 V HA -0.419 3.696 4.120 -0.008 0.000 0.247 173 V C 1.557 177.696 176.094 0.075 0.000 1.051 173 V CA 3.594 65.906 62.300 0.020 0.000 1.036 173 V CB -1.035 30.782 31.823 -0.010 0.000 0.654 173 V HN 0.716 8.904 8.190 0.013 0.010 0.451 174 S N 0.601 116.356 115.700 0.091 0.000 2.356 174 S HA -0.313 4.200 4.470 0.073 0.000 0.223 174 S C 2.077 176.768 174.600 0.152 0.000 1.032 174 S CA 3.846 62.102 58.200 0.095 0.000 1.005 174 S CB -0.500 62.742 63.200 0.069 0.000 0.867 174 S HN -0.591 7.677 8.310 0.079 0.089 0.449 175 F N 2.859 122.821 119.950 0.020 0.000 2.065 175 F HA -0.364 4.181 4.527 0.030 0.000 0.298 175 F C 1.177 177.009 175.800 0.052 0.000 1.112 175 F CA 2.989 61.008 58.000 0.031 0.000 1.212 175 F CB -0.013 39.002 39.000 0.025 0.000 0.975 175 F HN -0.461 8.007 8.300 0.280 0.000 0.476 176 L N -1.505 119.978 121.223 0.434 0.000 2.017 176 L HA -0.422 4.188 4.340 0.450 0.000 0.208 176 L C 2.193 179.222 176.870 0.264 0.000 1.073 176 L CA 2.656 57.695 54.840 0.331 0.000 0.745 176 L CB -1.682 40.459 42.059 0.137 0.000 0.894 176 L HN 0.090 8.511 8.230 0.318 0.000 0.432 177 E N -0.657 119.641 120.200 0.164 0.000 2.253 177 E HA -0.356 4.057 4.350 0.105 0.000 0.202 177 E C 1.867 178.540 176.600 0.121 0.000 1.014 177 E CA 2.854 59.324 56.400 0.118 0.000 0.823 177 E CB -0.186 29.562 29.700 0.081 0.000 0.736 177 E HN -0.047 8.291 8.360 0.145 0.109 0.478 178 R N -2.097 118.475 120.500 0.120 0.000 2.072 178 R HA 0.028 4.399 4.340 0.052 0.000 0.214 178 R C 1.606 177.957 176.300 0.084 0.000 1.168 178 R CA 1.504 57.641 56.100 0.062 0.000 1.020 178 R CB 1.139 31.424 30.300 -0.026 0.000 0.914 178 R HN -0.471 7.735 8.270 0.148 0.152 0.449 179 E N -2.406 117.876 120.200 0.137 0.000 2.419 179 E HA 0.047 4.450 4.350 0.088 0.000 0.190 179 E C -0.644 176.097 176.600 0.236 0.000 1.040 179 E CA -0.463 56.038 56.400 0.168 0.000 0.900 179 E CB 0.728 30.528 29.700 0.167 0.000 1.054 179 E HN 0.043 8.405 8.360 0.180 0.105 0.462 180 Y N 2.350 122.735 120.300 0.142 0.000 2.436 180 Y HA -0.158 4.463 4.550 0.118 0.000 0.336 180 Y C -0.968 174.981 175.900 0.082 0.000 1.049 180 Y CA 1.011 59.177 58.100 0.110 0.000 1.294 180 Y CB 0.229 38.743 38.460 0.091 0.000 1.179 180 Y HN -0.242 8.175 8.280 0.332 0.063 0.520 181 K N 9.366 129.346 120.400 -0.699 0.000 2.253 181 K HA 0.200 4.337 4.320 -0.305 0.000 0.277 181 K C 0.184 176.312 176.600 -0.788 0.000 1.053 181 K CA -1.523 54.451 56.287 -0.522 0.000 0.892 181 K CB 0.881 33.229 32.500 -0.253 0.000 1.102 181 K HN 0.350 8.220 8.250 -0.634 0.000 0.469 182 E N 7.161 127.100 120.200 -0.436 0.000 2.081 182 E HA -0.460 3.903 4.350 0.020 0.000 0.235 182 E C 0.684 177.245 176.600 -0.066 0.000 1.043 182 E CA 3.021 59.330 56.400 -0.151 0.000 0.924 182 E CB 0.182 29.881 29.700 -0.001 0.000 0.821 182 E HN 0.630 8.834 8.360 -0.261 0.000 0.517 183 N N -0.846 117.839 118.700 -0.026 0.000 2.758 183 N HA -0.035 4.757 4.740 0.087 0.000 0.293 183 N C -0.820 174.712 175.510 0.037 0.000 1.273 183 N CA -0.440 52.633 53.050 0.039 0.000 1.022 183 N CB -0.566 37.946 38.487 0.042 0.000 1.334 183 N HN -0.047 8.311 8.380 -0.037 0.000 0.519 184 L N 3.803 125.027 121.223 0.003 0.000 2.534 184 L HA 0.057 4.379 4.340 -0.029 0.000 0.271 184 L C -1.967 174.917 176.870 0.024 0.000 1.178 184 L CA -1.884 52.950 54.840 -0.011 0.000 0.907 184 L CB 0.412 42.431 42.059 -0.067 0.000 1.164 184 L HN -0.788 7.333 8.230 -0.052 0.079 0.482 185 P HA 0.053 4.473 4.420 -0.000 0.000 0.269 185 P C 0.250 177.389 177.300 -0.269 0.000 1.215 185 P CA -0.111 62.948 63.100 -0.069 0.000 0.780 185 P CB 0.891 32.571 31.700 -0.035 0.000 0.898 186 E N 5.352 125.233 120.200 -0.533 0.000 2.072 186 E HA -0.575 2.846 4.350 -1.548 0.000 0.218 186 E C 1.868 178.259 176.600 -0.349 0.000 1.051 186 E CA 4.943 60.860 56.400 -0.806 0.000 0.880 186 E CB 0.069 29.406 29.700 -0.605 0.000 0.783 186 E HN 0.433 8.552 8.360 -0.400 0.000 0.473 187 K N -2.123 118.213 120.400 -0.108 0.000 2.034 187 K HA -0.407 4.066 4.320 0.255 0.000 0.214 187 K C 2.505 179.156 176.600 0.085 0.000 1.051 187 K CA 3.610 59.960 56.287 0.105 0.000 0.931 187 K CB -0.449 32.127 32.500 0.126 0.000 0.715 187 K HN 0.129 8.318 8.250 -0.101 0.000 0.446 188 E N -1.522 118.676 120.200 -0.003 0.000 2.106 188 E HA -0.262 4.116 4.350 0.046 0.000 0.192 188 E C 2.181 178.761 176.600 -0.033 0.000 0.984 188 E CA 2.771 59.172 56.400 0.002 0.000 0.806 188 E CB -0.116 29.576 29.700 -0.015 0.000 0.750 188 E HN -0.542 7.794 8.360 -0.040 0.000 0.458 189 A N 1.245 124.000 122.820 -0.108 0.000 1.865 189 A HA -0.259 4.044 4.320 -0.028 0.000 0.217 189 A C 1.736 179.262 177.584 -0.098 0.000 1.191 189 A CA 3.341 55.322 52.037 -0.094 0.000 0.623 189 A CB -0.473 18.425 19.000 -0.170 0.000 0.826 189 A HN 0.359 8.233 8.150 -0.163 0.177 0.444 190 V N -3.001 116.799 119.914 -0.189 0.000 2.490 190 V HA -0.488 3.483 4.120 -0.248 0.000 0.250 190 V C 1.125 177.126 176.094 -0.155 0.000 1.061 190 V CA 3.707 65.842 62.300 -0.274 0.000 1.064 190 V CB -0.073 31.392 31.823 -0.596 0.000 0.670 190 V HN 0.504 8.553 8.190 -0.234 0.000 0.461 191 T N 3.531 118.080 114.554 -0.008 0.000 2.614 191 T HA -0.322 4.111 4.350 0.138 0.000 0.263 191 T C 1.678 176.377 174.700 -0.003 0.000 1.055 191 T CA 4.609 66.754 62.100 0.075 0.000 1.162 191 T CB -0.603 68.334 68.868 0.115 0.000 0.863 191 T HN -0.545 7.594 8.240 0.008 0.106 0.414 192 L N 1.074 122.292 121.223 -0.009 0.000 2.051 192 L HA -0.400 3.942 4.340 0.002 0.000 0.214 192 L C 1.755 178.533 176.870 -0.153 0.000 1.076 192 L CA 3.315 58.136 54.840 -0.032 0.000 0.758 192 L CB -0.632 41.438 42.059 0.018 0.000 0.890 192 L HN 0.200 8.431 8.230 0.003 0.000 0.433 193 G N -1.548 107.183 108.800 -0.115 0.000 2.511 193 G HA2 -0.441 3.420 3.960 -0.165 0.000 0.216 193 G HA3 -0.441 3.445 3.960 -0.123 0.000 0.216 193 G C 0.755 175.536 174.900 -0.199 0.000 1.218 193 G CA 2.090 47.098 45.100 -0.154 0.000 0.788 193 G HN 0.054 8.302 8.290 -0.074 -0.002 0.560 194 I N 2.121 122.601 120.570 -0.149 0.000 2.335 194 I HA -0.492 3.604 4.170 -0.123 0.000 0.251 194 I C 1.250 177.294 176.117 -0.121 0.000 1.129 194 I CA 2.995 64.225 61.300 -0.115 0.000 1.402 194 I CB -0.075 37.892 38.000 -0.055 0.000 1.069 194 I HN 0.134 8.264 8.210 -0.134 0.000 0.424 195 K N 0.010 120.324 120.400 -0.143 0.000 2.025 195 K HA -0.388 3.911 4.320 -0.036 0.000 0.207 195 K C 1.779 178.167 176.600 -0.352 0.000 1.049 195 K CA 3.746 59.953 56.287 -0.133 0.000 0.933 195 K CB -0.096 32.377 32.500 -0.045 0.000 0.714 195 K HN 0.216 8.374 8.250 -0.128 0.016 0.438 196 A N 0.015 122.376 122.820 -0.764 0.000 1.865 196 A HA -0.239 2.915 4.320 -1.943 0.000 0.217 196 A C 2.191 179.544 177.584 -0.385 0.000 1.191 196 A CA 2.979 54.366 52.037 -1.083 0.000 0.623 196 A CB -0.651 17.784 19.000 -0.941 0.000 0.826 196 A HN 0.135 7.822 8.150 -0.665 0.064 0.444 197 L N -1.313 119.758 121.223 -0.253 0.000 2.012 197 L HA -0.390 3.881 4.340 -0.115 0.000 0.210 197 L C 1.296 178.118 176.870 -0.079 0.000 1.073 197 L CA 3.151 57.911 54.840 -0.134 0.000 0.748 197 L CB -0.445 41.546 42.059 -0.114 0.000 0.891 197 L HN 0.334 8.287 8.230 -0.280 0.109 0.431 198 K N -1.201 119.155 120.400 -0.073 0.000 1.971 198 K HA -0.439 4.136 4.320 -0.013 -0.263 0.221 198 K C 2.453 179.064 176.600 0.018 0.000 1.050 198 K CA 3.243 59.520 56.287 -0.018 0.000 0.967 198 K CB -0.075 32.425 32.500 -0.002 0.000 0.733 198 K HN 0.093 8.168 8.250 -0.105 0.111 0.445 199 S N -1.618 114.120 115.700 0.062 0.000 2.407 199 S HA -0.452 4.092 4.470 0.123 0.000 0.244 199 S C 1.314 175.971 174.600 0.096 0.000 1.077 199 S CA 3.415 61.698 58.200 0.138 0.000 1.159 199 S CB -0.663 62.743 63.200 0.343 0.000 1.045 199 S HN -0.091 8.248 8.310 0.048 0.000 0.438 200 S N 1.807 117.552 115.700 0.075 0.000 2.502 200 S HA -0.221 4.290 4.470 0.068 0.000 0.219 200 S C 2.122 176.738 174.600 0.027 0.000 1.064 200 S CA 2.323 60.552 58.200 0.049 0.000 1.173 200 S CB 0.243 63.454 63.200 0.018 0.000 1.118 200 S HN -0.612 7.740 8.310 0.060 -0.006 0.406 201 L N -1.099 120.129 121.223 0.008 0.000 2.353 201 L HA -0.103 4.240 4.340 0.005 0.000 0.220 201 L C 1.887 178.762 176.870 0.009 0.000 1.133 201 L CA 1.389 56.231 54.840 0.004 0.000 0.798 201 L CB -0.348 41.706 42.059 -0.008 0.000 0.922 201 L HN -0.576 7.653 8.230 -0.003 0.000 0.445 202 E N -1.137 119.072 120.200 0.015 0.000 2.651 202 E HA -0.108 4.250 4.350 0.012 0.000 0.236 202 E C 0.694 177.306 176.600 0.021 0.000 1.422 202 E CA -0.508 55.903 56.400 0.018 0.000 1.534 202 E CB -2.589 27.124 29.700 0.023 0.000 1.381 202 E HN 0.133 8.447 8.360 0.018 0.056 0.435 203 E N 0.562 120.773 120.200 0.018 0.000 2.158 203 E HA -0.108 4.254 4.350 0.020 0.000 0.191 203 E C 0.938 177.545 176.600 0.013 0.000 0.982 203 E CA 1.592 58.002 56.400 0.017 0.000 0.823 203 E CB 0.224 29.933 29.700 0.014 0.000 0.766 203 E HN 0.183 8.438 8.360 0.016 0.114 0.468 204 G N -0.808 107.999 108.800 0.011 0.000 3.496 204 G HA2 0.048 4.013 3.960 0.008 0.000 0.273 204 G HA3 0.048 4.012 3.960 0.006 0.000 0.273 204 G C -0.817 174.088 174.900 0.009 0.000 1.279 204 G CA -0.924 44.181 45.100 0.008 0.000 1.041 204 G HN -0.510 7.772 8.290 0.010 0.014 0.539 205 E N -0.665 119.543 120.200 0.012 0.000 4.088 205 E HA -0.623 3.737 4.350 0.017 0.000 0.202 205 E C -1.144 175.464 176.600 0.012 0.000 1.260 205 E CA 2.423 58.831 56.400 0.013 0.000 2.208 205 E CB -1.362 28.345 29.700 0.012 0.000 1.870 205 E HN -0.417 7.787 8.360 0.014 0.164 0.304 206 E N 1.441 121.647 120.200 0.010 0.000 2.406 206 E HA -0.116 4.240 4.350 0.011 0.000 0.258 206 E C 0.482 177.086 176.600 0.007 0.000 1.043 206 E CA 0.275 56.681 56.400 0.009 0.000 0.929 206 E CB 0.115 29.819 29.700 0.007 0.000 0.969 206 E HN -0.252 8.074 8.360 0.009 0.040 0.462 207 L N 7.742 128.970 121.223 0.008 0.000 2.376 207 L HA -0.186 4.346 4.340 -0.000 -0.192 0.219 207 L C -0.538 176.332 176.870 0.002 0.000 1.133 207 L CA 1.294 56.136 54.840 0.003 0.000 0.816 207 L CB -0.027 42.035 42.059 0.005 0.000 0.933 207 L HN 0.288 8.525 8.230 0.011 0.000 0.449 208 K N -5.044 115.359 120.400 0.006 0.000 1.968 208 K HA -0.365 3.959 4.320 0.007 0.000 0.393 208 K C -1.522 175.083 176.600 0.008 0.000 1.775 208 K CA 1.296 57.587 56.287 0.005 0.000 0.654 208 K CB -0.747 31.753 32.500 0.001 0.000 1.066 208 K HN -0.363 7.844 8.250 0.008 0.047 0.701 209 A N 1.945 124.768 122.820 0.006 0.000 2.293 209 A HA 0.473 4.804 4.320 0.018 0.000 0.312 209 A C -2.879 174.704 177.584 -0.001 0.000 1.309 209 A CA -2.359 49.684 52.037 0.010 0.000 0.839 209 A CB 0.368 19.376 19.000 0.014 0.000 1.155 209 A HN 0.094 8.245 8.150 0.002 0.000 0.501 210 P HA 0.095 4.589 4.420 -0.035 -0.095 0.274 210 P C -1.735 175.545 177.300 -0.033 0.000 1.231 210 P CA -0.748 62.334 63.100 -0.030 0.000 0.790 210 P CB 0.928 32.602 31.700 -0.044 0.000 0.951 211 E N 2.214 122.384 120.200 -0.050 0.000 2.133 211 E HA 0.336 4.671 4.350 -0.026 0.000 0.274 211 E C -1.953 174.592 176.600 -0.092 0.000 0.930 211 E CA -1.411 54.960 56.400 -0.048 0.000 0.770 211 E CB 2.754 32.429 29.700 -0.041 0.000 1.104 211 E HN 0.620 8.946 8.360 -0.057 0.000 0.403 212 I N 5.719 126.217 120.570 -0.119 0.000 2.647 212 I HA 0.764 4.967 4.170 -0.196 -0.151 0.295 212 I C -3.016 172.980 176.117 -0.203 0.000 1.078 212 I CA -2.162 58.992 61.300 -0.243 0.000 1.048 212 I CB 3.883 41.597 38.000 -0.477 0.000 1.239 212 I HN 0.505 8.676 8.210 -0.066 0.000 0.421 213 A N 6.607 129.344 122.820 -0.138 0.000 2.475 213 A HA 0.920 5.481 4.320 0.190 -0.128 0.301 213 A C -2.436 175.255 177.584 0.178 0.000 1.059 213 A CA -1.450 50.636 52.037 0.082 0.000 0.710 213 A CB 4.058 23.111 19.000 0.089 0.000 1.288 213 A HN 0.990 9.050 8.150 -0.150 0.000 0.408 214 S N 0.240 116.145 115.700 0.342 0.000 2.536 214 S HA 0.742 5.485 4.470 0.248 -0.124 0.271 214 S C -1.671 172.992 174.600 0.104 0.000 1.134 214 S CA -0.864 57.501 58.200 0.275 0.000 0.897 214 S CB 3.366 66.754 63.200 0.314 0.000 1.094 214 S HN 0.912 9.371 8.310 0.423 0.105 0.473 215 I N 1.785 122.216 120.570 -0.231 0.000 2.689 215 I HA 0.344 4.376 4.170 -0.230 0.000 0.299 215 I C -2.549 173.450 176.117 -0.197 0.000 1.059 215 I CA -1.649 59.399 61.300 -0.421 0.000 1.055 215 I CB 3.967 41.263 38.000 -1.173 0.000 1.243 215 I HN 0.492 8.587 8.210 -0.192 0.000 0.425 216 T N 6.899 121.399 114.554 -0.090 0.000 2.893 216 T HA 0.318 4.701 4.350 -0.093 -0.089 0.291 216 T C -0.999 173.682 174.700 -0.031 0.000 1.028 216 T CA -2.116 59.969 62.100 -0.025 0.000 0.995 216 T CB 1.458 70.390 68.868 0.105 0.000 1.051 216 T HN 0.314 8.497 8.240 -0.094 0.000 0.470 217 V N 6.151 126.050 119.914 -0.026 0.000 2.752 217 V HA -0.503 3.624 4.120 0.010 0.000 0.306 217 V C 0.624 176.739 176.094 0.034 0.000 1.099 217 V CA 2.813 65.116 62.300 0.005 0.000 1.240 217 V CB 0.408 32.231 31.823 0.001 0.000 0.887 217 V HN 0.531 8.695 8.190 -0.043 0.000 0.499 218 G N 6.091 114.930 108.800 0.064 0.000 2.254 218 G HA2 -0.238 3.768 3.960 0.076 0.000 0.225 218 G HA3 -0.238 3.754 3.960 0.054 0.000 0.225 218 G C -1.421 173.542 174.900 0.105 0.000 1.003 218 G CA -0.268 44.877 45.100 0.075 0.000 0.622 218 G HN 0.573 8.911 8.290 0.080 0.000 0.507 219 N N -0.748 118.000 118.700 0.081 0.000 3.204 219 N HA 0.195 4.997 4.740 0.103 0.000 0.285 219 N C -1.895 173.534 175.510 -0.136 0.000 1.536 219 N CA -1.012 52.057 53.050 0.031 0.000 0.832 219 N CB 1.770 40.258 38.487 0.003 0.000 1.645 219 N HN -0.371 7.974 8.380 0.052 0.067 0.586 220 K N -2.239 117.993 120.400 -0.280 0.000 2.138 220 K HA -0.018 3.866 4.320 -0.886 -0.096 0.251 220 K C 0.236 176.723 176.600 -0.188 0.000 1.015 220 K CA -0.001 56.008 56.287 -0.463 0.000 0.917 220 K CB 0.791 33.053 32.500 -0.397 0.000 1.021 220 K HN -0.094 8.054 8.250 -0.169 0.000 0.485 221 Y N 0.463 120.637 120.300 -0.210 0.000 2.578 221 Y HA -0.315 4.219 4.550 -0.025 0.000 0.339 221 Y C 0.013 175.897 175.900 -0.026 0.000 1.231 221 Y CA 2.576 60.634 58.100 -0.069 0.000 1.461 221 Y CB 0.686 39.119 38.460 -0.046 0.000 1.323 221 Y HN -0.406 7.838 8.280 -0.059 0.000 0.590 222 R N 3.982 124.646 120.500 0.274 0.000 2.439 222 R HA 0.398 4.816 4.340 0.129 0.000 0.310 222 R C -1.644 174.823 176.300 0.278 0.000 0.955 222 R CA -1.372 54.846 56.100 0.197 0.000 0.853 222 R CB 2.681 33.059 30.300 0.131 0.000 1.171 222 R HN 0.459 8.812 8.270 0.326 0.112 0.449 223 I N 6.535 127.221 120.570 0.192 0.000 2.353 223 I HA -0.021 4.304 4.170 0.257 0.000 0.293 223 I C -0.609 175.659 176.117 0.251 0.000 0.992 223 I CA -0.647 60.778 61.300 0.208 0.000 1.268 223 I CB 1.169 39.227 38.000 0.096 0.000 1.387 223 I HN 0.411 8.696 8.210 0.126 0.000 0.478 224 Y N 7.907 128.218 120.300 0.019 0.000 2.359 224 Y HA -0.121 4.596 4.550 0.032 -0.147 0.330 224 Y C 0.640 176.554 175.900 0.024 0.000 1.143 224 Y CA -0.369 57.744 58.100 0.020 0.000 1.318 224 Y CB 0.527 38.985 38.460 -0.004 0.000 1.234 224 Y HN -0.015 8.551 8.280 0.477 0.000 0.522 225 D N 2.832 123.299 120.400 0.112 0.000 2.313 225 D HA -0.007 4.676 4.640 0.071 0.000 0.247 225 D C 0.706 177.064 176.300 0.097 0.000 1.094 225 D CA -0.737 53.309 54.000 0.076 0.000 0.925 225 D CB 1.570 42.389 40.800 0.032 0.000 1.188 225 D HN -0.019 8.372 8.370 0.036 0.000 0.430 226 Q N 2.068 121.911 119.800 0.072 0.000 2.124 226 Q HA -0.502 3.882 4.340 0.072 0.000 0.215 226 Q C 1.643 177.690 176.000 0.079 0.000 1.015 226 Q CA 3.970 59.814 55.803 0.068 0.000 0.890 226 Q CB 0.052 28.816 28.738 0.043 0.000 0.966 226 Q HN 0.651 8.955 8.270 0.057 0.000 0.412 227 E N -1.900 118.339 120.200 0.064 0.000 2.072 227 E HA -0.305 4.077 4.350 0.054 0.000 0.191 227 E C 2.245 178.903 176.600 0.097 0.000 0.985 227 E CA 2.556 58.992 56.400 0.060 0.000 0.801 227 E CB -0.717 29.002 29.700 0.031 0.000 0.750 227 E HN -0.032 8.428 8.360 0.051 -0.069 0.452 228 E N -0.315 119.958 120.200 0.121 0.000 2.085 228 E HA -0.308 4.132 4.350 0.150 0.000 0.194 228 E C 2.461 179.329 176.600 0.448 0.000 0.994 228 E CA 2.802 59.328 56.400 0.211 0.000 0.801 228 E CB -0.001 29.768 29.700 0.116 0.000 0.743 228 E HN -0.486 8.152 8.360 0.092 -0.222 0.453 229 V N -0.300 119.840 119.914 0.377 0.000 2.453 229 V HA -0.321 4.091 4.120 0.486 0.000 0.247 229 V C 1.189 177.464 176.094 0.302 0.000 1.048 229 V CA 3.064 65.582 62.300 0.363 0.000 1.049 229 V CB -0.262 31.664 31.823 0.171 0.000 0.672 229 V HN -0.507 7.848 8.190 0.275 0.000 0.457 230 K N -0.414 120.098 120.400 0.186 0.000 2.209 230 K HA -0.300 4.080 4.320 0.101 0.000 0.204 230 K C 1.952 178.607 176.600 0.093 0.000 1.048 230 K CA 2.885 59.240 56.287 0.113 0.000 0.940 230 K CB -0.435 32.108 32.500 0.070 0.000 0.729 230 K HN -0.475 7.874 8.250 0.165 0.000 0.451 231 K N -2.148 118.309 120.400 0.094 0.000 2.057 231 K HA -0.210 4.066 4.320 -0.073 0.000 0.206 231 K C 1.433 177.941 176.600 -0.153 0.000 1.050 231 K CA 2.756 58.999 56.287 -0.074 0.000 0.935 231 K CB 0.251 32.641 32.500 -0.185 0.000 0.715 231 K HN -0.397 7.809 8.250 0.160 0.141 0.439 232 F N -4.489 115.482 119.950 0.035 0.000 2.335 232 F HA -0.134 4.403 4.527 0.017 0.000 0.296 232 F C 0.897 176.702 175.800 0.008 0.000 1.091 232 F CA 1.290 59.302 58.000 0.021 0.000 1.399 232 F CB 0.375 39.390 39.000 0.025 0.000 1.067 232 F HN -0.823 7.654 8.300 0.467 0.103 0.520 233 L N 0.000 121.338 121.223 0.192 0.000 2.949 233 L HA 0.000 4.397 4.340 0.096 0.000 0.249 233 L CA 0.000 54.902 54.840 0.104 0.000 0.813 233 L CB 0.000 42.110 42.059 0.085 0.000 0.961 233 L HN 0.000 8.252 8.230 0.230 0.116 0.502