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 2ku1_1_B DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AYDRAITVFS 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 0.000 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 1.596 124.417 122.820 0.000 0.000 2.462 -2 A HA 0.159 4.480 4.320 0.000 0.000 0.243 -2 A C -0.463 177.122 177.584 0.001 0.000 1.076 -2 A CA 0.190 52.227 52.037 0.001 0.000 0.773 -2 A CB 0.541 19.541 19.000 0.001 0.000 1.010 -2 A HN -0.177 7.973 8.150 0.000 0.000 0.493 -1 M N 1.727 121.327 119.600 0.001 0.000 2.267 -1 M HA 0.247 4.727 4.480 0.001 0.000 0.289 -1 M C -0.354 175.947 176.300 0.001 0.000 1.043 -1 M CA 0.177 55.478 55.300 0.001 0.000 0.928 -1 M CB 2.070 34.671 32.600 0.001 0.000 1.613 -1 M HN -0.102 8.188 8.290 0.001 0.000 0.450 0 G N 3.962 112.763 108.800 0.001 0.000 2.606 0 G HA2 0.186 4.147 3.960 0.002 0.000 0.252 0 G HA3 0.186 4.147 3.960 0.002 0.000 0.252 0 G C -1.677 173.225 174.900 0.002 0.000 1.206 0 G CA -0.668 44.433 45.100 0.002 0.000 0.861 0 G HN 0.191 8.482 8.290 0.001 0.000 0.561 1 M N 0.400 120.002 119.600 0.003 0.000 2.085 1 M HA 0.117 4.599 4.480 0.002 0.000 0.309 1 M C -0.020 176.284 176.300 0.006 0.000 0.947 1 M CA -0.235 55.067 55.300 0.003 0.000 0.918 1 M CB 1.818 34.419 32.600 0.003 0.000 1.504 1 M HN 0.077 8.370 8.290 0.004 0.000 0.420 2 Q N 3.125 122.928 119.800 0.006 0.000 2.079 2 Q HA -0.250 4.095 4.340 0.008 0.000 0.200 2 Q C -0.436 175.573 176.000 0.015 0.000 0.974 2 Q CA 1.740 57.548 55.803 0.009 0.000 0.840 2 Q CB 0.359 29.100 28.738 0.006 0.000 0.898 2 Q HN 0.409 8.681 8.270 0.004 0.000 0.430 3 Q N -1.660 118.149 119.800 0.016 0.000 2.333 3 Q HA 0.156 4.519 4.340 0.039 0.000 0.267 3 Q C 0.129 176.143 176.000 0.023 0.000 1.012 3 Q CA -0.641 55.180 55.803 0.030 0.000 0.824 3 Q CB 1.002 29.761 28.738 0.035 0.000 1.290 3 Q HN -0.389 7.887 8.270 0.010 0.000 0.449 4 G N 2.160 110.983 108.800 0.038 0.000 2.422 4 G HA2 -0.234 3.736 3.960 0.016 0.000 0.218 4 G HA3 -0.234 3.752 3.960 0.043 0.000 0.218 4 G C -0.593 174.307 174.900 0.000 0.000 1.146 4 G CA 0.808 45.925 45.100 0.028 0.000 0.769 4 G HN 0.393 8.716 8.290 0.054 0.000 0.547 5 Q N -0.871 118.924 119.800 -0.008 0.000 2.316 5 Q HA 0.002 4.252 4.340 -0.151 0.000 0.264 5 Q C 0.053 175.951 176.000 -0.170 0.000 0.987 5 Q CA -0.597 55.110 55.803 -0.160 0.000 0.852 5 Q CB 1.185 29.683 28.738 -0.401 0.000 1.287 5 Q HN -0.319 7.973 8.270 0.055 0.012 0.448 6 M N 3.861 123.360 119.600 -0.169 0.000 2.117 6 M HA -0.224 4.223 4.480 -0.056 0.000 0.262 6 M C 0.275 176.500 176.300 -0.125 0.000 1.065 6 M CA 1.424 56.661 55.300 -0.105 0.000 1.114 6 M CB 0.209 32.763 32.600 -0.075 0.000 1.361 6 M HN 0.321 8.508 8.290 -0.172 0.000 0.408 7 A N -5.286 117.373 122.820 -0.268 0.000 2.597 7 A HA 0.010 4.270 4.320 -0.100 0.000 0.292 7 A C -2.429 174.894 177.584 -0.436 0.000 1.057 7 A CA -0.505 51.403 52.037 -0.215 0.000 0.674 7 A CB 1.112 20.078 19.000 -0.058 0.000 1.278 7 A HN -0.753 7.175 8.150 -0.369 0.000 0.416 8 Y N -2.154 118.150 120.300 0.007 0.000 2.914 8 Y HA 0.175 4.727 4.550 0.004 0.000 0.324 8 Y C -0.671 175.230 175.900 0.002 0.000 1.280 8 Y CA -1.046 57.056 58.100 0.004 0.000 1.133 8 Y CB 1.741 40.202 38.460 0.002 0.000 1.395 8 Y HN -0.082 8.298 8.280 0.167 0.000 0.645 9 D N 1.119 121.645 120.400 0.209 0.000 2.363 9 D HA -0.099 4.585 4.640 0.073 0.000 0.263 9 D C -0.303 176.045 176.300 0.081 0.000 1.258 9 D CA 0.330 54.391 54.000 0.103 0.000 0.907 9 D CB -0.620 40.228 40.800 0.081 0.000 1.107 9 D HN -0.036 8.504 8.370 0.284 0.000 0.495 10 R N 3.079 123.611 120.500 0.054 0.000 2.808 10 R HA 0.112 4.475 4.340 0.038 0.000 0.272 10 R C -0.789 175.521 176.300 0.018 0.000 0.995 10 R CA -0.769 55.354 56.100 0.038 0.000 0.917 10 R CB 2.408 32.733 30.300 0.042 0.000 1.217 10 R HN -0.000 8.295 8.270 0.043 0.000 0.471 11 A N 1.292 124.119 122.820 0.013 0.000 2.239 11 A HA 0.408 4.730 4.320 0.003 0.000 0.303 11 A C -1.137 176.442 177.584 -0.009 0.000 1.114 11 A CA -0.811 51.228 52.037 0.005 0.000 0.871 11 A CB 1.040 20.047 19.000 0.011 0.000 1.201 11 A HN 0.475 8.634 8.150 0.016 0.000 0.506 12 I N -5.462 115.098 120.570 -0.017 0.000 7.356 12 I HA -0.257 3.886 4.170 -0.045 0.000 0.126 12 I C -1.801 174.273 176.117 -0.072 0.000 1.829 12 I CA 0.382 61.660 61.300 -0.037 0.000 2.068 12 I CB -1.692 36.300 38.000 -0.014 0.000 3.620 12 I HN 0.130 8.334 8.210 -0.009 0.000 0.179 13 T N 0.201 114.692 114.554 -0.106 0.000 5.335 13 T HA 0.003 4.224 4.350 -0.215 0.000 0.286 13 T C -1.278 173.325 174.700 -0.162 0.000 0.923 13 T CA 0.170 62.177 62.100 -0.155 0.000 0.581 13 T CB -0.368 68.438 68.868 -0.103 0.000 0.565 13 T HN -0.284 7.900 8.240 -0.092 0.000 0.261 14 V N -0.580 119.224 119.914 -0.183 0.000 2.525 14 V HA 0.360 4.444 4.120 -0.060 0.000 0.299 14 V C -1.508 174.489 176.094 -0.162 0.000 1.034 14 V CA -1.074 61.161 62.300 -0.109 0.000 0.863 14 V CB 1.126 32.938 31.823 -0.019 0.000 0.999 14 V HN -0.580 7.493 8.190 -0.196 0.000 0.423 15 F N 6.871 126.794 119.950 -0.045 0.000 2.412 15 F HA 0.171 4.775 4.527 -0.115 -0.146 0.348 15 F C 0.917 176.683 175.800 -0.056 0.000 1.102 15 F CA -0.386 57.568 58.000 -0.076 0.000 1.196 15 F CB 1.053 40.010 39.000 -0.071 0.000 1.144 15 F HN 0.172 8.554 8.300 0.136 0.000 0.541 16 S N 4.423 120.181 115.700 0.096 0.000 2.614 16 S HA 0.214 4.776 4.470 0.154 0.000 0.265 16 S C -0.323 174.327 174.600 0.083 0.000 1.303 16 S CA -1.043 57.209 58.200 0.086 0.000 1.000 16 S CB -0.231 62.933 63.200 -0.061 0.000 0.935 16 S HN 0.520 8.843 8.310 0.021 0.000 0.551 17 P HA -0.082 4.365 4.420 0.044 0.000 0.226 17 P C -1.509 175.805 177.300 0.023 0.000 1.146 17 P CA 1.639 64.772 63.100 0.055 0.000 0.773 17 P CB -0.306 31.433 31.700 0.065 0.000 0.772 18 D N -5.374 115.035 120.400 0.015 0.000 2.402 18 D HA -0.056 4.577 4.640 -0.012 0.000 0.216 18 D C 0.631 176.901 176.300 -0.050 0.000 1.128 18 D CA -0.660 53.332 54.000 -0.013 0.000 0.833 18 D CB -0.710 40.095 40.800 0.008 0.000 0.971 18 D HN -0.679 7.624 8.370 0.020 0.079 0.503 19 G N 1.105 109.878 108.800 -0.045 0.000 2.326 19 G HA2 -0.476 3.436 3.960 -0.079 0.000 0.286 19 G HA3 -0.476 3.405 3.960 -0.132 0.000 0.286 19 G C -1.315 173.605 174.900 0.034 0.000 1.096 19 G CA 0.254 45.319 45.100 -0.058 0.000 1.003 19 G HN 0.249 8.354 8.290 -0.014 0.176 0.503 20 R N -2.032 118.476 120.500 0.012 0.000 2.698 20 R HA 0.242 4.563 4.340 -0.033 0.000 0.275 20 R C -2.032 174.099 176.300 -0.281 0.000 1.001 20 R CA -2.155 53.843 56.100 -0.169 0.000 0.896 20 R CB 3.882 33.888 30.300 -0.491 0.000 1.218 20 R HN -0.299 8.021 8.270 -0.028 -0.067 0.462 21 L N 2.778 123.830 121.223 -0.285 0.000 2.288 21 L HA 0.389 4.509 4.340 -0.367 0.000 0.283 21 L C 0.522 177.200 176.870 -0.320 0.000 1.072 21 L CA -2.689 51.949 54.840 -0.336 0.000 0.862 21 L CB -2.032 39.839 42.059 -0.313 0.000 1.245 21 L HN 0.754 8.866 8.230 -0.197 0.000 0.432 22 F N 5.499 125.291 119.950 -0.264 0.000 2.120 22 F HA -0.519 3.763 4.527 -0.407 0.000 0.300 22 F C 1.592 176.917 175.800 -0.791 0.000 1.095 22 F CA 4.437 62.134 58.000 -0.504 0.000 1.249 22 F CB -0.217 38.492 39.000 -0.485 0.000 0.995 22 F HN -0.193 7.928 8.300 -0.299 0.000 0.480 23 Q N -1.784 117.812 119.800 -0.339 0.000 2.096 23 Q HA -0.385 3.769 4.340 -0.311 0.000 0.204 23 Q C 2.510 178.430 176.000 -0.134 0.000 0.982 23 Q CA 3.424 59.081 55.803 -0.244 0.000 0.850 23 Q CB -1.004 27.678 28.738 -0.093 0.000 0.901 23 Q HN 0.037 8.183 8.270 -0.206 0.000 0.422 24 V N -0.182 119.662 119.914 -0.118 0.000 2.490 24 V HA -0.460 3.656 4.120 -0.006 0.000 0.250 24 V C 1.471 177.559 176.094 -0.011 0.000 1.061 24 V CA 3.871 66.144 62.300 -0.045 0.000 1.064 24 V CB -0.113 31.678 31.823 -0.053 0.000 0.670 24 V HN -0.585 7.510 8.190 -0.154 0.002 0.461 25 E N 0.390 120.561 120.200 -0.049 0.000 2.028 25 E HA -0.320 4.075 4.350 0.076 0.000 0.191 25 E C 2.837 179.567 176.600 0.216 0.000 0.988 25 E CA 3.107 59.548 56.400 0.067 0.000 0.799 25 E CB -0.571 29.197 29.700 0.115 0.000 0.755 25 E HN -0.521 7.644 8.360 -0.137 0.113 0.447 26 Y N -1.049 119.311 120.300 0.100 0.000 2.207 26 Y HA -0.319 4.267 4.550 0.059 0.000 0.287 26 Y C 2.216 178.144 175.900 0.046 0.000 1.156 26 Y CA 0.247 58.386 58.100 0.064 0.000 1.182 26 Y CB -1.538 36.954 38.460 0.054 0.000 0.979 26 Y HN 0.206 8.389 8.280 -0.161 0.000 0.521 27 A N -1.214 121.720 122.820 0.191 0.000 1.883 27 A HA -0.437 3.949 4.320 0.111 0.000 0.217 27 A C 1.800 179.444 177.584 0.099 0.000 1.186 27 A CA 3.095 55.201 52.037 0.116 0.000 0.624 27 A CB -0.702 18.345 19.000 0.079 0.000 0.822 27 A HN 0.464 8.698 8.150 0.153 0.008 0.444 28 R N -3.015 117.545 120.500 0.100 0.000 2.105 28 R HA -0.411 3.969 4.340 0.066 0.000 0.239 28 R C 2.678 179.026 176.300 0.080 0.000 1.135 28 R CA 3.395 59.544 56.100 0.082 0.000 0.967 28 R CB -0.372 29.977 30.300 0.081 0.000 0.861 28 R HN -0.496 7.762 8.270 0.103 0.074 0.442 29 E N -0.934 119.329 120.200 0.104 0.000 2.038 29 E HA -0.331 4.059 4.350 0.067 0.000 0.195 29 E C 2.116 178.746 176.600 0.050 0.000 1.000 29 E CA 2.735 59.182 56.400 0.077 0.000 0.803 29 E CB -0.568 29.180 29.700 0.080 0.000 0.750 29 E HN -0.570 7.776 8.360 0.145 0.101 0.448 30 A N -2.158 120.694 122.820 0.053 0.000 1.986 30 A HA -0.234 4.100 4.320 0.024 0.000 0.220 30 A C 2.463 180.063 177.584 0.027 0.000 1.171 30 A CA 3.157 55.215 52.037 0.034 0.000 0.640 30 A CB -0.732 18.290 19.000 0.038 0.000 0.811 30 A HN -0.500 7.694 8.150 0.073 0.000 0.451 31 V N -5.362 114.572 119.914 0.032 0.000 2.548 31 V HA -0.297 3.832 4.120 0.014 0.000 0.249 31 V C 1.217 177.319 176.094 0.014 0.000 1.055 31 V CA 2.542 64.854 62.300 0.021 0.000 1.065 31 V CB -0.242 31.595 31.823 0.024 0.000 0.681 31 V HN -0.834 7.268 8.190 0.044 0.114 0.462 32 K N 0.323 120.735 120.400 0.021 0.000 2.209 32 K HA -0.255 4.072 4.320 0.011 0.000 0.204 32 K C 1.595 178.200 176.600 0.008 0.000 1.048 32 K CA 3.227 59.524 56.287 0.015 0.000 0.940 32 K CB -0.284 32.230 32.500 0.023 0.000 0.729 32 K HN -0.272 7.876 8.250 0.030 0.120 0.451 33 K N -3.534 116.871 120.400 0.008 0.000 2.504 33 K HA -0.027 4.294 4.320 0.002 0.000 0.199 33 K C 0.294 176.893 176.600 -0.001 0.000 1.028 33 K CA -0.043 56.246 56.287 0.003 0.000 1.164 33 K CB -0.624 31.878 32.500 0.003 0.000 0.877 33 K HN -0.729 7.405 8.250 0.013 0.125 0.508 34 G N -0.325 108.473 108.800 -0.003 0.000 2.552 34 G HA2 0.195 4.149 3.960 -0.008 0.000 0.318 34 G HA3 0.195 4.148 3.960 -0.011 0.000 0.318 34 G C -1.858 173.033 174.900 -0.015 0.000 1.240 34 G CA -2.347 42.747 45.100 -0.009 0.000 1.002 34 G HN -0.643 7.458 8.290 -0.001 0.188 0.493 35 S N -2.051 113.637 115.700 -0.020 0.000 2.580 35 S HA -0.134 4.324 4.470 -0.021 0.000 0.266 35 S C -0.200 174.381 174.600 -0.031 0.000 1.354 35 S CA -0.117 58.068 58.200 -0.025 0.000 1.008 35 S CB 0.723 63.906 63.200 -0.029 0.000 0.898 35 S HN 0.152 8.450 8.310 -0.021 0.000 0.555 36 T N 2.429 116.963 114.554 -0.034 0.000 2.907 36 T HA 0.608 5.113 4.350 -0.042 -0.180 0.284 36 T C -1.665 173.003 174.700 -0.054 0.000 1.004 36 T CA -0.714 61.361 62.100 -0.041 0.000 1.063 36 T CB 1.197 70.044 68.868 -0.035 0.000 0.992 36 T HN 0.212 8.434 8.240 -0.031 0.000 0.483 37 A N 5.598 128.378 122.820 -0.066 0.000 2.599 37 A HA 0.781 5.130 4.320 -0.078 -0.075 0.290 37 A C -2.953 174.576 177.584 -0.092 0.000 1.101 37 A CA -0.865 51.125 52.037 -0.079 0.000 0.674 37 A CB 3.258 22.210 19.000 -0.080 0.000 1.277 37 A HN 0.744 8.854 8.150 -0.066 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 -0.109 0.000 0.920 38 L CB 3.374 45.365 42.059 -0.113 0.000 1.529 38 L HN 0.882 9.056 8.230 -0.093 0.000 0.399 39 G N -4.466 104.279 108.800 -0.091 0.000 2.698 39 G HA2 0.871 4.955 3.960 -0.027 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 -0.046 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 -0.121 0.000 0.499 40 M N -3.457 116.152 119.600 0.015 0.000 2.426 40 M HA 0.509 5.062 4.480 -0.050 -0.103 0.289 40 M C -2.122 174.238 176.300 0.100 0.000 1.168 40 M CA 0.002 55.325 55.300 0.038 0.000 0.933 40 M CB 4.341 37.011 32.600 0.116 0.000 1.750 40 M HN 0.490 8.807 8.290 0.046 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 -0.190 -0.107 0.275 41 K C -0.263 176.440 176.600 0.172 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 0.678 176.504 175.800 0.042 0.000 1.230 42 F CA -2.832 55.211 58.000 0.072 0.000 0.993 42 F CB 1.072 40.100 39.000 0.047 0.000 1.496 42 F HN 0.669 8.630 8.300 -0.564 0.000 0.522 43 A N 1.309 124.490 122.820 0.602 0.000 1.901 43 A HA -0.414 4.027 4.320 0.202 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 0.040 0.000 0.883 44 N CB 0.855 39.390 38.487 0.081 0.000 1.390 44 N HN 0.063 8.732 8.380 0.482 0.000 0.491 45 G N -1.884 106.591 108.800 -0.542 0.000 2.554 45 G HA2 0.629 4.326 3.960 -0.437 0.000 0.306 45 G HA3 0.629 4.324 3.960 -0.646 -0.123 0.306 45 G C -3.801 170.242 174.900 -1.429 0.000 1.320 45 G CA 0.475 45.085 45.100 -0.818 0.000 0.800 45 G HN -0.777 7.096 8.290 -0.694 0.000 0.481 46 V N -1.021 118.344 119.914 -0.915 0.000 2.925 46 V HA 0.872 4.764 4.120 -0.617 -0.142 0.311 46 V C -2.772 173.255 176.094 -0.111 0.000 1.104 46 V CA -3.234 58.759 62.300 -0.513 0.000 0.954 46 V CB 3.975 35.672 31.823 -0.210 0.000 1.022 46 V HN 0.187 8.007 8.190 -0.616 0.000 0.427 47 L N 3.101 124.402 121.223 0.129 0.000 2.370 47 L HA 0.891 5.459 4.340 0.202 -0.106 0.266 47 L C -2.718 174.208 176.870 0.092 0.000 1.002 47 L CA -1.815 53.142 54.840 0.194 0.000 0.818 47 L CB 3.336 45.539 42.059 0.241 0.000 1.325 47 L HN 0.234 8.532 8.230 0.114 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 -0.072 0.000 1.002 48 L CA -1.000 53.843 54.840 0.005 0.000 0.818 48 L CB 4.591 46.666 42.059 0.027 0.000 1.298 48 L HN 0.861 9.141 8.230 0.084 0.000 0.420 49 I N 3.932 124.447 120.570 -0.092 0.000 2.610 49 I HA 0.833 5.102 4.170 -0.136 -0.181 0.289 49 I C -3.102 172.955 176.117 -0.101 0.000 1.163 49 I CA -1.424 59.802 61.300 -0.124 0.000 1.044 49 I CB 4.195 42.099 38.000 -0.160 0.000 1.251 49 I HN 0.968 9.130 8.210 -0.079 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 -0.077 0.000 0.293 50 S C -2.073 172.489 174.600 -0.064 0.000 1.089 50 S CA -1.935 56.220 58.200 -0.076 0.000 0.945 50 S CB 2.647 65.805 63.200 -0.071 0.000 1.077 50 S HN 1.069 9.214 8.310 -0.095 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 -0.042 0.000 0.241 51 D C -1.174 175.105 176.300 -0.034 0.000 1.183 51 D CA -0.280 53.695 54.000 -0.042 0.000 0.859 51 D CB 0.950 41.728 40.800 -0.037 0.000 1.067 51 D HN 0.092 8.429 8.370 -0.055 0.000 0.484 52 K N 7.979 128.363 120.400 -0.028 0.000 2.231 52 K HA 0.060 4.366 4.320 -0.024 0.000 0.255 52 K C -1.383 175.208 176.600 -0.014 0.000 1.108 52 K CA -0.698 55.577 56.287 -0.021 0.000 0.997 52 K CB -0.276 32.213 32.500 -0.018 0.000 1.549 52 K HN -0.268 7.965 8.250 -0.028 0.000 0.419 53 K N 6.048 126.440 120.400 -0.014 0.000 2.262 53 K HA 0.008 4.323 4.320 -0.008 0.000 0.282 53 K C -1.288 175.307 176.600 -0.008 0.000 1.066 53 K CA -0.046 56.235 56.287 -0.010 0.000 0.901 53 K CB 0.725 33.219 32.500 -0.010 0.000 1.089 53 K HN -0.194 8.046 8.250 -0.017 0.000 0.476 54 V N 4.002 123.913 119.914 -0.005 0.000 2.881 54 V HA 0.130 4.247 4.120 -0.005 0.000 0.316 54 V C -1.028 175.064 176.094 -0.002 0.000 1.070 54 V CA -1.603 60.695 62.300 -0.004 0.000 0.976 54 V CB 1.840 33.661 31.823 -0.002 0.000 1.038 54 V HN 0.204 8.392 8.190 -0.004 0.000 0.446 55 R N 4.415 124.914 120.500 -0.002 0.000 1.776 55 R HA 0.185 4.525 4.340 -0.001 0.000 0.146 55 R C -0.293 176.006 176.300 -0.001 0.000 2.057 55 R CA 0.044 56.143 56.100 -0.001 0.000 1.641 55 R CB 0.336 30.635 30.300 -0.002 0.000 1.256 55 R HN 0.092 8.360 8.270 -0.003 0.000 0.478 56 S N -0.811 114.889 115.700 -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 63.892 63.200 -0.000 0.000 0.899 56 S HN -0.048 8.262 8.310 -0.001 0.000 0.542 57 R N 2.150 122.651 120.500 0.001 0.000 2.148 57 R HA -0.140 4.201 4.340 0.002 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 0.002 0.000 0.880 57 R HN 0.515 8.785 8.270 0.001 0.000 0.451 58 L N -3.095 118.128 121.223 0.001 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 0.001 0.000 1.158 58 L CA 0.528 55.368 54.840 0.001 0.000 0.842 58 L CB -0.615 41.445 42.059 0.000 0.000 0.952 58 L HN -0.424 7.768 8.230 0.001 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 -0.000 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 -0.000 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 8.975 129.176 120.200 0.000 0.000 2.773 60 E HA -0.045 4.306 4.350 0.001 0.000 0.302 60 E C -0.028 176.573 176.600 0.001 0.000 1.574 60 E CA -0.407 55.993 56.400 0.001 0.000 1.775 60 E CB -2.066 27.635 29.700 0.001 0.000 1.413 60 E HN 0.511 8.871 8.360 -0.000 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 0.687 176.688 176.000 0.000 0.000 0.559 61 Q CA 2.295 58.099 55.803 0.002 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 55.805 53.050 0.001 0.000 0.893 62 N CB -0.430 38.060 38.487 0.004 0.000 1.025 62 N HN 0.251 8.634 8.380 0.005 0.000 0.456 63 S N 0.487 116.185 115.700 -0.002 0.000 2.441 63 S HA -0.312 4.155 4.470 -0.004 0.000 0.242 63 S C 1.284 175.880 174.600 -0.007 0.000 1.018 63 S CA 2.922 61.120 58.200 -0.004 0.000 0.988 63 S CB 0.030 63.229 63.200 -0.002 0.000 0.778 63 S HN -0.391 7.880 8.310 -0.001 0.038 0.498 64 I N 1.334 121.899 120.570 -0.008 0.000 2.664 64 I HA -0.051 4.112 4.170 -0.012 0.000 0.291 64 I C -2.114 173.993 176.117 -0.017 0.000 1.120 64 I CA -1.462 59.831 61.300 -0.012 0.000 1.503 64 I CB -0.513 37.481 38.000 -0.010 0.000 1.506 64 I HN -0.507 7.658 8.210 -0.006 0.041 0.621 65 E N 3.574 123.762 120.200 -0.020 0.000 2.324 65 E HA -0.127 4.483 4.350 -0.027 -0.277 0.271 65 E C -0.555 176.022 176.600 -0.038 0.000 1.028 65 E CA 0.260 56.643 56.400 -0.028 0.000 0.890 65 E CB 0.159 29.841 29.700 -0.029 0.000 1.004 65 E HN -0.567 7.701 8.360 -0.017 0.082 0.431 66 K N 3.540 123.913 120.400 -0.046 0.000 2.313 66 K HA 0.079 4.368 4.320 -0.052 0.000 0.197 66 K C 0.235 176.789 176.600 -0.076 0.000 1.061 66 K CA 0.753 57.006 56.287 -0.056 0.000 0.980 66 K CB 1.416 33.884 32.500 -0.054 0.000 0.888 66 K HN -0.081 8.583 8.250 -0.043 -0.440 0.502 67 I N 0.356 120.877 120.570 -0.081 0.000 2.352 67 I HA -0.174 4.028 4.170 -0.119 -0.103 0.290 67 I C -0.627 175.421 176.117 -0.115 0.000 1.036 67 I CA 0.471 61.707 61.300 -0.107 0.000 1.336 67 I CB -0.038 37.898 38.000 -0.106 0.000 1.407 67 I HN -0.603 7.869 8.210 -0.069 -0.304 0.497 68 Q N 7.207 126.928 119.800 -0.131 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 53.800 55.803 -0.115 0.000 0.839 68 Q CB 4.350 33.040 28.738 -0.080 0.000 1.354 68 Q HN 0.949 9.025 8.270 -0.143 0.108 0.447 69 L N 1.895 123.046 121.223 -0.120 0.000 2.289 69 L HA 0.119 4.347 4.340 -0.186 0.000 0.285 69 L C 0.201 177.051 176.870 -0.034 0.000 1.049 69 L CA 0.089 54.859 54.840 -0.117 0.000 0.804 69 L CB 0.766 42.761 42.059 -0.106 0.000 1.195 69 L HN 0.570 8.745 8.230 -0.092 0.000 0.428 70 I N 1.903 122.477 120.570 0.007 0.000 3.265 70 I HA -0.030 4.167 4.170 0.045 0.000 0.282 70 I C -0.625 175.529 176.117 0.060 0.000 1.207 70 I CA 1.445 62.779 61.300 0.056 0.000 1.449 70 I CB 1.078 39.150 38.000 0.120 0.000 1.121 70 I HN 0.800 9.010 8.210 -0.001 0.000 0.442 71 D N -2.311 118.138 120.400 0.081 0.000 2.766 71 D HA 0.002 4.700 4.640 0.096 0.000 0.244 71 D C -1.511 174.892 176.300 0.172 0.000 1.198 71 D CA -0.194 53.881 54.000 0.124 0.000 0.739 71 D CB 2.052 42.938 40.800 0.143 0.000 1.379 71 D HN -0.577 7.835 8.370 0.070 0.000 0.437 72 D N 0.656 121.166 120.400 0.182 0.000 2.332 72 D HA -0.278 4.377 4.640 0.025 0.000 0.209 72 D C 0.026 176.336 176.300 0.017 0.000 0.988 72 D CA 3.091 57.133 54.000 0.070 0.000 0.912 72 D CB 0.046 40.837 40.800 -0.016 0.000 0.899 72 D HN 0.406 8.884 8.370 0.180 0.000 0.477 73 Y N -6.004 114.420 120.300 0.206 0.000 2.588 73 Y HA 0.097 4.803 4.550 0.260 0.000 0.247 73 Y C -1.530 174.562 175.900 0.320 0.000 1.157 73 Y CA -0.957 57.283 58.100 0.232 0.000 1.215 73 Y CB 0.978 39.500 38.460 0.104 0.000 1.245 73 Y HN -0.590 8.259 8.280 0.518 -0.258 0.534 74 V N 0.066 120.251 119.914 0.451 0.000 2.655 74 V HA 0.559 5.148 4.120 0.527 -0.152 0.301 74 V C -2.888 173.309 176.094 0.170 0.000 1.082 74 V CA -1.684 60.842 62.300 0.377 0.000 0.899 74 V CB 2.862 34.839 31.823 0.257 0.000 1.014 74 V HN 0.166 8.455 8.190 0.360 0.117 0.429 75 A N 7.739 130.599 122.820 0.067 0.000 2.384 75 A HA 0.992 5.311 4.320 -0.151 -0.090 0.312 75 A C -3.027 174.532 177.584 -0.041 0.000 1.113 75 A CA -2.098 49.824 52.037 -0.192 0.000 0.779 75 A CB 4.325 22.898 19.000 -0.711 0.000 1.307 75 A HN 1.077 9.407 8.150 0.300 0.000 0.436 76 A N -0.729 122.011 122.820 -0.133 0.000 2.515 76 A HA 1.126 5.472 4.320 -0.234 -0.167 0.298 76 A C -2.756 174.684 177.584 -0.239 0.000 1.059 76 A CA -1.588 50.292 52.037 -0.262 0.000 0.698 76 A CB 3.961 22.636 19.000 -0.542 0.000 1.289 76 A HN 0.943 8.890 8.150 -0.154 0.110 0.404 77 V N 1.357 121.123 119.914 -0.248 0.000 2.735 77 V HA 0.779 4.971 4.120 -0.158 -0.167 0.310 77 V C -1.829 174.149 176.094 -0.193 0.000 1.061 77 V CA -2.865 59.327 62.300 -0.179 0.000 0.913 77 V CB 3.306 35.051 31.823 -0.130 0.000 1.005 77 V HN 0.306 8.321 8.190 -0.292 0.000 0.428 78 T N 7.865 122.332 114.554 -0.145 0.000 2.916 78 T HA 0.554 4.921 4.350 -0.143 -0.103 0.292 78 T C -1.529 173.124 174.700 -0.080 0.000 1.064 78 T CA -2.211 59.815 62.100 -0.123 0.000 1.011 78 T CB 1.191 69.992 68.868 -0.113 0.000 1.152 78 T HN -0.087 8.081 8.240 -0.120 0.000 0.510 79 S N 2.167 117.830 115.700 -0.060 0.000 2.572 79 S HA 0.338 4.786 4.470 -0.037 0.000 0.274 79 S C -1.562 173.026 174.600 -0.020 0.000 1.150 79 S CA 0.034 58.210 58.200 -0.039 0.000 0.944 79 S CB 2.257 65.433 63.200 -0.039 0.000 1.071 79 S HN 0.671 8.944 8.310 -0.062 0.000 0.479 80 G N 4.158 112.952 108.800 -0.010 0.000 2.236 80 G HA2 -0.076 4.042 3.960 0.007 0.000 0.231 80 G HA3 -0.076 4.000 3.960 0.010 -0.110 0.231 80 G C -2.156 172.748 174.900 0.007 0.000 1.334 80 G CA -0.300 44.803 45.100 0.004 0.000 1.137 80 G HN 0.041 8.323 8.290 -0.013 0.000 0.482 81 L N 2.977 124.210 121.223 0.017 0.000 2.638 81 L HA 0.137 4.484 4.340 0.011 0.000 0.273 81 L C 0.843 177.722 176.870 0.015 0.000 1.147 81 L CA -0.255 54.594 54.840 0.016 0.000 0.941 81 L CB -1.778 40.294 42.059 0.022 0.000 1.251 81 L HN 0.209 8.453 8.230 0.024 0.000 0.479 82 V N 9.553 129.471 119.914 0.007 0.000 2.250 82 V HA -0.537 3.582 4.120 -0.001 0.000 0.250 82 V C 0.805 176.907 176.094 0.013 0.000 1.060 82 V CA 4.381 66.684 62.300 0.004 0.000 1.030 82 V CB 0.179 32.002 31.823 -0.000 0.000 0.643 82 V HN 0.351 8.543 8.190 0.004 0.000 0.445 83 A N -3.206 119.624 122.820 0.016 0.000 1.873 83 A HA -0.381 3.952 4.320 0.022 0.000 0.218 83 A C 1.813 179.423 177.584 0.044 0.000 1.193 83 A CA 3.459 55.510 52.037 0.024 0.000 0.629 83 A CB -1.204 17.807 19.000 0.018 0.000 0.826 83 A HN 0.141 8.298 8.150 0.012 0.000 0.447 84 D N -0.298 120.135 120.400 0.055 0.000 2.106 84 D HA -0.381 4.350 4.640 0.153 0.000 0.191 84 D C 2.041 178.400 176.300 0.097 0.000 0.997 84 D CA 3.223 57.293 54.000 0.116 0.000 0.834 84 D CB -0.610 40.264 40.800 0.124 0.000 0.956 84 D HN -0.323 8.070 8.370 0.038 0.000 0.448 85 A N 0.162 123.009 122.820 0.045 0.000 1.892 85 A HA -0.414 3.902 4.320 -0.008 0.000 0.218 85 A C 1.693 179.280 177.584 0.006 0.000 1.188 85 A CA 3.266 55.307 52.037 0.006 0.000 0.631 85 A CB -0.472 18.520 19.000 -0.013 0.000 0.822 85 A HN 0.277 8.450 8.150 0.038 0.000 0.447 86 R N -1.219 119.292 120.500 0.017 0.000 2.082 86 R HA -0.332 4.013 4.340 0.008 0.000 0.234 86 R C 1.989 178.313 176.300 0.041 0.000 1.136 86 R CA 3.220 59.332 56.100 0.021 0.000 0.935 86 R CB 0.013 30.326 30.300 0.022 0.000 0.842 86 R HN -0.197 8.084 8.270 0.019 0.000 0.430 87 V N 0.041 119.992 119.914 0.061 0.000 2.380 87 V HA -0.398 3.774 4.120 0.086 0.000 0.251 87 V C 1.474 177.618 176.094 0.082 0.000 1.063 87 V CA 3.865 66.218 62.300 0.088 0.000 1.055 87 V CB -0.066 31.830 31.823 0.122 0.000 0.657 87 V HN -0.345 7.881 8.190 0.061 0.000 0.455 88 L N -1.264 119.972 121.223 0.022 0.000 2.093 88 L HA -0.319 3.943 4.340 -0.130 0.000 0.208 88 L C 1.923 178.842 176.870 0.082 0.000 1.085 88 L CA 3.357 58.164 54.840 -0.055 0.000 0.755 88 L CB -0.438 41.514 42.059 -0.177 0.000 0.904 88 L HN -0.199 8.047 8.230 0.030 0.002 0.435 89 V N 0.550 120.502 119.914 0.064 0.000 2.261 89 V HA -0.586 3.604 4.120 0.117 0.000 0.246 89 V C 1.902 178.060 176.094 0.106 0.000 1.047 89 V CA 4.888 67.237 62.300 0.082 0.000 1.015 89 V CB -0.617 31.220 31.823 0.024 0.000 0.642 89 V HN 0.010 8.128 8.190 0.031 0.091 0.446 90 D N -0.114 120.338 120.400 0.088 0.000 2.133 90 D HA -0.363 4.306 4.640 0.048 0.000 0.195 90 D C 2.060 178.414 176.300 0.090 0.000 0.997 90 D CA 3.667 57.712 54.000 0.076 0.000 0.840 90 D CB -0.355 40.487 40.800 0.069 0.000 0.947 90 D HN -0.235 8.180 8.370 0.075 0.000 0.452 91 F N 0.480 120.433 119.950 0.005 0.000 2.095 91 F HA -0.472 4.058 4.527 0.004 0.000 0.298 91 F C 0.762 176.563 175.800 0.002 0.000 1.104 91 F CA 3.641 61.639 58.000 -0.003 0.000 1.232 91 F CB -0.050 38.931 39.000 -0.031 0.000 0.987 91 F HN -0.424 8.028 8.300 0.257 0.002 0.475 92 A N -0.773 122.155 122.820 0.179 0.000 1.940 92 A HA -0.449 3.881 4.320 0.017 0.000 0.219 92 A C 2.035 179.602 177.584 -0.029 0.000 1.176 92 A CA 3.159 55.248 52.037 0.087 0.000 0.631 92 A CB -0.753 18.411 19.000 0.273 0.000 0.814 92 A HN -0.069 8.207 8.150 0.317 0.065 0.446 93 R N -1.355 119.144 120.500 -0.002 0.000 2.070 93 R HA -0.314 4.030 4.340 0.007 0.000 0.233 93 R C 2.631 178.889 176.300 -0.071 0.000 1.137 93 R CA 3.694 59.784 56.100 -0.017 0.000 0.945 93 R CB 0.187 30.488 30.300 0.003 0.000 0.845 93 R HN -0.039 8.163 8.270 0.042 0.093 0.430 94 I N -2.626 117.873 120.570 -0.119 0.000 2.202 94 I HA -0.396 3.719 4.170 -0.092 0.000 0.242 94 I C 1.275 177.267 176.117 -0.208 0.000 1.091 94 I CA 3.930 65.143 61.300 -0.144 0.000 1.368 94 I CB -0.289 37.622 38.000 -0.149 0.000 1.058 94 I HN -0.031 8.111 8.210 -0.113 0.000 0.410 95 S N 0.645 116.128 115.700 -0.362 0.000 2.387 95 S HA -0.511 3.746 4.470 -0.355 0.000 0.230 95 S C 2.033 176.520 174.600 -0.187 0.000 1.035 95 S CA 3.591 61.568 58.200 -0.372 0.000 1.014 95 S CB -0.237 62.623 63.200 -0.567 0.000 0.836 95 S HN 0.238 8.270 8.310 -0.465 0.000 0.466 96 A N 1.125 123.863 122.820 -0.137 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 -0.052 0.000 1.190 96 A CA 3.152 55.144 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 -0.145 0.089 0.443 97 Q N -1.930 117.838 119.800 -0.053 0.000 2.112 97 Q HA -0.417 3.912 4.340 -0.018 0.000 0.206 97 Q C 2.779 178.756 176.000 -0.037 0.000 0.987 97 Q CA 2.549 58.330 55.803 -0.036 0.000 0.858 97 Q CB -0.865 27.851 28.738 -0.037 0.000 0.905 97 Q HN -0.416 7.752 8.270 -0.065 0.063 0.420 98 Q N -0.481 119.282 119.800 -0.060 0.000 2.014 98 Q HA -0.448 3.863 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 59.248 55.803 -0.051 0.000 0.850 98 Q CB -0.359 28.332 28.738 -0.078 0.000 0.916 98 Q HN 0.260 8.472 8.270 -0.088 0.005 0.417 99 E N -0.706 119.502 120.200 0.014 0.000 2.097 99 E HA -0.417 4.054 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 0.111 0.000 0.804 99 E CB -0.326 29.414 29.700 0.068 0.000 0.740 99 E HN -0.601 7.745 8.360 -0.023 0.000 0.454 100 K N -0.936 119.488 120.400 0.039 0.000 2.009 100 K HA -0.373 4.045 4.320 0.038 -0.075 0.210 100 K C 2.550 179.160 176.600 0.017 0.000 1.049 100 K CA 3.223 59.526 56.287 0.027 0.000 0.929 100 K CB 0.024 32.527 32.500 0.005 0.000 0.714 100 K HN -0.607 7.577 8.250 0.013 0.074 0.440 101 V N -2.077 117.833 119.914 -0.006 0.000 2.626 101 V HA -0.303 3.805 4.120 -0.020 0.000 0.252 101 V C 1.539 177.601 176.094 -0.054 0.000 1.067 101 V CA 2.931 65.215 62.300 -0.026 0.000 1.081 101 V CB 0.280 32.083 31.823 -0.033 0.000 0.686 101 V HN 0.041 8.226 8.190 -0.009 0.000 0.468 102 T N -0.985 113.520 114.554 -0.081 0.000 2.866 102 T HA -0.180 4.064 4.350 -0.178 0.000 0.250 102 T C 1.352 175.888 174.700 -0.274 0.000 1.033 102 T CA 2.482 64.456 62.100 -0.211 0.000 1.145 102 T CB 0.711 69.383 68.868 -0.326 0.000 0.866 102 T HN -0.395 7.800 8.240 -0.043 0.019 0.434 103 Y N -1.036 119.244 120.300 -0.033 0.000 2.523 103 Y HA 0.028 4.562 4.550 -0.028 0.000 0.279 103 Y C 0.626 176.507 175.900 -0.032 0.000 1.139 103 Y CA 0.960 59.041 58.100 -0.032 0.000 1.296 103 Y CB 0.567 39.006 38.460 -0.036 0.000 1.045 103 Y HN 0.121 8.446 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 0.031 0.000 0.979 104 G CA -0.006 45.117 45.100 0.039 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 -0.003 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 0.109 0.070 0.450 106 L N 8.067 129.260 121.223 -0.049 0.000 2.404 106 L HA 0.206 4.510 4.340 -0.060 0.000 0.277 106 L C -1.375 175.443 176.870 -0.086 0.000 1.184 106 L CA -1.103 53.699 54.840 -0.063 0.000 1.013 106 L CB -1.512 40.516 42.059 -0.053 0.000 1.318 106 L HN 0.460 8.653 8.230 -0.062 0.000 0.435 107 V N 5.808 125.662 119.914 -0.100 0.000 2.270 107 V HA -0.181 3.887 4.120 -0.087 0.000 0.245 107 V C -1.185 174.857 176.094 -0.087 0.000 1.043 107 V CA 2.047 64.287 62.300 -0.099 0.000 1.014 107 V CB 0.788 32.539 31.823 -0.121 0.000 0.645 107 V HN -0.361 7.737 8.190 -0.113 0.024 0.447 108 N N -3.563 115.074 118.700 -0.105 0.000 2.442 108 N HA 0.190 5.122 4.740 -0.052 -0.223 0.274 108 N C 0.420 175.862 175.510 -0.113 0.000 1.002 108 N CA -1.720 51.278 53.050 -0.086 0.000 0.910 108 N CB 0.834 39.268 38.487 -0.088 0.000 1.244 108 N HN -0.678 7.622 8.380 -0.134 0.000 0.492 109 I N 5.994 126.512 120.570 -0.086 0.000 2.493 109 I HA -0.348 3.736 4.170 -0.143 0.000 0.254 109 I C 0.353 176.255 176.117 -0.359 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 2.825 4.350 -1.694 0.000 0.194 110 E C 1.624 177.919 176.600 -0.507 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 -0.567 117.952 118.700 -0.302 0.000 2.166 111 N HA -0.258 4.362 4.740 -0.200 0.000 0.186 111 N C 2.174 177.535 175.510 -0.249 0.000 1.019 111 N CA 3.198 56.111 53.050 -0.228 0.000 0.856 111 N CB -0.064 38.321 38.487 -0.170 0.000 0.993 111 N HN -0.687 7.533 8.380 -0.246 0.013 0.426 112 L N 0.302 121.348 121.223 -0.294 0.000 2.017 112 L HA -0.241 3.971 4.340 -0.215 0.000 0.208 112 L C 1.148 177.753 176.870 -0.441 0.000 1.073 112 L CA 2.649 57.306 54.840 -0.306 0.000 0.745 112 L CB -0.373 41.508 42.059 -0.296 0.000 0.894 112 L HN -0.801 7.157 8.230 -0.292 0.097 0.432 113 V N -1.222 118.296 119.914 -0.661 0.000 2.407 113 V HA -0.649 2.835 4.120 -1.060 0.000 0.248 113 V C 1.366 177.233 176.094 -0.378 0.000 1.055 113 V CA 4.236 66.075 62.300 -0.767 0.000 1.049 113 V CB -0.378 30.951 31.823 -0.824 0.000 0.662 113 V HN -0.350 7.439 8.190 -0.668 0.000 0.455 114 K N -0.604 119.614 120.400 -0.303 0.000 2.032 114 K HA -0.403 3.847 4.320 -0.117 0.000 0.209 114 K C 2.244 178.793 176.600 -0.085 0.000 1.048 114 K CA 4.018 60.213 56.287 -0.154 0.000 0.927 114 K CB -0.449 31.974 32.500 -0.129 0.000 0.712 114 K HN -0.007 8.014 8.250 -0.383 0.000 0.441 115 R N -0.909 119.548 120.500 -0.073 0.000 2.081 115 R HA -0.295 4.073 4.340 0.046 0.000 0.235 115 R C 2.237 178.612 176.300 0.124 0.000 1.131 115 R CA 3.392 59.518 56.100 0.043 0.000 0.960 115 R CB 0.001 30.338 30.300 0.062 0.000 0.856 115 R HN -0.335 7.857 8.270 -0.129 0.000 0.436 116 V N -0.853 119.119 119.914 0.096 0.000 2.667 116 V HA -0.323 3.826 4.120 0.048 0.000 0.252 116 V C 0.908 176.953 176.094 -0.083 0.000 1.065 116 V CA 2.855 65.193 62.300 0.063 0.000 1.083 116 V CB -0.146 31.765 31.823 0.147 0.000 0.692 116 V HN -0.594 7.590 8.190 -0.011 0.000 0.468 117 A N 0.948 123.742 122.820 -0.043 0.000 1.855 117 A HA -0.306 4.006 4.320 -0.013 0.000 0.215 117 A C 1.639 179.211 177.584 -0.019 0.000 1.191 117 A CA 3.117 55.141 52.037 -0.021 0.000 0.613 117 A CB -0.629 18.369 19.000 -0.002 0.000 0.829 117 A HN 0.060 8.087 8.150 -0.054 0.091 0.442 118 D N -1.464 118.933 120.400 -0.006 0.000 2.133 118 D HA -0.399 4.266 4.640 0.042 0.000 0.195 118 D C 2.504 178.816 176.300 0.020 0.000 0.997 118 D CA 3.587 57.601 54.000 0.024 0.000 0.840 118 D CB -0.973 39.850 40.800 0.037 0.000 0.947 118 D HN -0.025 8.339 8.370 -0.009 0.000 0.452 119 Q N -0.758 118.995 119.800 -0.078 0.000 2.045 119 Q HA -0.332 3.973 4.340 -0.058 0.000 0.206 119 Q C 2.524 178.507 176.000 -0.028 0.000 0.991 119 Q CA 2.869 58.572 55.803 -0.168 0.000 0.851 119 Q CB -0.179 28.166 28.738 -0.654 0.000 0.911 119 Q HN -0.585 7.625 8.270 -0.097 0.002 0.418 120 M N -1.300 118.220 119.600 -0.133 0.000 2.086 120 M HA -0.371 4.094 4.480 -0.025 0.000 0.261 120 M C 2.627 179.028 176.300 0.167 0.000 1.067 120 M CA 3.683 58.968 55.300 -0.024 0.000 1.116 120 M CB -0.128 32.423 32.600 -0.082 0.000 1.348 120 M HN -0.502 7.599 8.290 -0.202 0.067 0.407 121 Q N -0.137 119.735 119.800 0.119 0.000 2.135 121 Q HA -0.335 4.193 4.340 0.112 -0.121 0.204 121 Q C 3.002 179.120 176.000 0.197 0.000 0.981 121 Q CA 3.000 58.882 55.803 0.131 0.000 0.856 121 Q CB -0.451 28.341 28.738 0.089 0.000 0.902 121 Q HN 0.199 8.339 8.270 0.064 0.168 0.425 122 Q N -0.573 119.389 119.800 0.270 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 0.265 0.000 0.901 122 Q HN -0.017 8.384 8.270 0.242 0.013 0.422 123 Y N -4.887 115.508 120.300 0.159 0.000 2.639 123 Y HA -0.175 4.447 4.550 0.120 0.000 0.297 123 Y C 0.859 176.791 175.900 0.053 0.000 1.151 123 Y CA 1.342 59.506 58.100 0.107 0.000 1.335 123 Y CB -0.851 37.654 38.460 0.075 0.000 0.994 123 Y HN -0.604 8.151 8.280 0.801 0.006 0.548 124 T N -2.358 112.302 114.554 0.177 0.000 2.985 124 T HA -0.142 4.228 4.350 0.032 0.000 0.266 124 T C 0.396 175.062 174.700 -0.057 0.000 1.076 124 T CA 2.715 64.842 62.100 0.044 0.000 1.135 124 T CB 0.505 69.393 68.868 0.033 0.000 0.890 124 T HN -0.137 8.026 8.240 0.223 0.210 0.480 125 Q N -1.622 118.138 119.800 -0.068 0.000 2.171 125 Q HA 0.102 4.323 4.340 -0.199 0.000 0.250 125 Q C 1.326 177.177 176.000 -0.248 0.000 0.791 125 Q CA 0.164 55.848 55.803 -0.198 0.000 0.950 125 Q CB 1.289 29.868 28.738 -0.264 0.000 1.151 125 Q HN -0.531 7.612 8.270 0.015 0.136 0.480 126 Y N 3.198 123.445 120.300 -0.087 0.000 2.922 126 Y HA -0.265 4.235 4.550 -0.084 0.000 0.379 126 Y C -0.245 175.590 175.900 -0.107 0.000 1.057 126 Y CA 1.559 59.593 58.100 -0.111 0.000 1.687 126 Y CB -2.447 35.914 38.460 -0.165 0.000 1.707 126 Y HN -0.138 8.187 8.280 0.075 0.000 0.462 127 G N -1.086 107.712 108.800 -0.004 0.000 2.651 127 G HA2 -0.399 3.712 3.960 -0.023 0.000 0.315 127 G HA3 -0.399 3.571 3.960 0.016 0.000 0.315 127 G C 0.349 175.249 174.900 0.001 0.000 1.258 127 G CA 0.077 45.176 45.100 -0.001 0.000 1.002 127 G HN -0.601 7.550 8.290 -0.067 0.098 0.551 128 G N 1.536 110.342 108.800 0.010 0.000 2.641 128 G HA2 -0.180 3.784 3.960 0.007 0.000 0.278 128 G HA3 -0.180 3.786 3.960 0.011 0.000 0.278 128 G C -1.162 173.731 174.900 -0.012 0.000 0.655 128 G CA 0.928 46.030 45.100 0.004 0.000 2.105 128 G HN 0.362 8.666 8.290 0.023 0.000 0.558 129 V N 0.415 120.325 119.914 -0.007 0.000 2.903 129 V HA 0.030 4.158 4.120 0.015 0.000 0.289 129 V C -1.994 174.136 176.094 0.061 0.000 1.355 129 V CA -0.763 61.543 62.300 0.010 0.000 0.953 129 V CB 3.638 35.416 31.823 -0.074 0.000 1.102 129 V HN -0.198 7.947 8.190 0.001 0.046 0.435 130 R N 8.316 128.846 120.500 0.051 0.000 2.438 130 R HA 0.222 4.581 4.340 0.031 0.000 0.287 130 R C -1.777 174.532 176.300 0.015 0.000 1.077 130 R CA -1.979 54.136 56.100 0.026 0.000 1.034 130 R CB 0.489 30.783 30.300 -0.011 0.000 0.993 130 R HN 0.192 8.483 8.270 0.034 0.000 0.459 131 P HA -0.047 4.440 4.420 0.111 0.000 0.270 131 P C -1.318 175.935 177.300 -0.079 0.000 1.223 131 P CA -0.169 62.950 63.100 0.031 0.000 0.785 131 P CB 0.603 32.338 31.700 0.060 0.000 0.923 132 Y N -0.256 119.984 120.300 -0.101 0.000 2.587 132 Y HA -0.112 4.514 4.550 -0.126 -0.151 0.344 132 Y C 1.578 177.447 175.900 -0.053 0.000 1.061 132 Y CA 1.049 59.074 58.100 -0.125 0.000 1.370 132 Y CB -0.144 38.197 38.460 -0.199 0.000 1.163 132 Y HN 0.276 8.644 8.280 0.147 0.000 0.527 133 G N 6.070 114.918 108.800 0.080 0.000 3.101 133 G HA2 0.007 4.008 3.960 0.068 0.000 0.272 133 G HA3 0.007 3.996 3.960 0.048 0.000 0.272 133 G C -2.547 172.390 174.900 0.062 0.000 0.801 133 G CA 0.152 45.291 45.100 0.065 0.000 1.978 133 G HN 0.784 9.383 8.290 0.040 -0.285 0.591 134 V N 1.569 121.521 119.914 0.064 0.000 3.225 134 V HA 0.758 5.016 4.120 0.024 -0.124 0.293 134 V C -3.123 172.983 176.094 0.020 0.000 1.405 134 V CA -1.721 60.599 62.300 0.033 0.000 1.038 134 V CB 3.589 35.428 31.823 0.027 0.000 1.123 134 V HN -0.387 7.809 8.190 0.078 0.041 0.447 135 S N 2.121 117.821 115.700 -0.001 0.000 2.634 135 S HA 0.951 5.559 4.470 0.013 -0.130 0.296 135 S C -1.699 172.873 174.600 -0.047 0.000 1.104 135 S CA -1.557 56.641 58.200 -0.004 0.000 0.920 135 S CB 2.949 66.152 63.200 0.005 0.000 1.111 135 S HN 0.321 8.625 8.310 -0.009 0.000 0.493 136 L N -4.819 116.367 121.223 -0.062 0.000 2.710 136 L HA 0.794 5.145 4.340 -0.160 -0.107 0.260 136 L C -2.337 174.428 176.870 -0.176 0.000 0.993 136 L CA -0.275 54.460 54.840 -0.174 0.000 0.877 136 L CB 3.347 45.224 42.059 -0.303 0.000 1.461 136 L HN 0.771 8.995 8.230 -0.010 0.000 0.413 137 I N -6.438 113.976 120.570 -0.259 0.000 2.545 137 I HA 0.769 5.083 4.170 0.054 -0.112 0.292 137 I C -2.182 173.796 176.117 -0.232 0.000 1.040 137 I CA -1.910 59.320 61.300 -0.116 0.000 1.068 137 I CB 3.691 41.667 38.000 -0.040 0.000 1.251 137 I HN 0.505 8.536 8.210 -0.298 0.000 0.424 138 F N 5.470 125.499 119.950 0.131 0.000 2.421 138 F HA 0.700 5.423 4.527 0.092 -0.141 0.337 138 F C -0.981 174.937 175.800 0.195 0.000 1.105 138 F CA -2.052 56.032 58.000 0.139 0.000 1.049 138 F CB 2.930 42.005 39.000 0.126 0.000 1.139 138 F HN 0.534 9.001 8.300 0.454 0.105 0.479 139 A N 0.398 123.425 122.820 0.345 0.000 2.549 139 A HA 1.209 5.962 4.320 0.299 -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 23.182 19.000 0.219 0.000 1.287 139 A HN 0.878 9.214 8.150 0.311 0.000 0.402 140 G N 0.174 109.128 108.800 0.257 0.000 2.317 140 G HA2 0.279 4.272 3.960 0.056 0.000 0.293 140 G HA3 0.279 4.599 3.960 0.332 -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 0.206 0.000 0.850 140 G HN 0.235 8.640 8.290 0.192 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 0.049 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 0.020 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 62.192 61.300 0.004 0.000 1.444 144 I CB 0.948 38.959 38.000 0.018 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 3.877 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 8.048 8.290 0.015 -0.185 0.486 146 P HA 0.183 4.696 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 0.031 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 0.092 0.000 0.991 147 R CA -1.377 54.761 56.100 0.065 0.000 0.896 147 R CB 4.394 34.858 30.300 0.273 0.000 1.201 147 R HN 0.965 9.263 8.270 0.047 0.000 0.457 148 L N 3.576 124.758 121.223 -0.069 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 8.294 8.230 -0.279 0.000 0.419 149 F N 6.209 126.285 119.950 0.209 0.000 2.561 149 F HA 1.068 5.940 4.527 0.248 -0.197 0.321 149 F C -1.058 174.916 175.800 0.289 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 0.198 0.000 1.215 149 F HN 1.013 9.613 8.300 0.500 0.000 0.471 150 D N -0.457 120.240 120.400 0.494 0.000 2.493 150 D HA 0.617 5.545 4.640 0.277 -0.122 0.239 150 D C -1.652 174.841 176.300 0.321 0.000 1.049 150 D CA -1.971 52.231 54.000 0.336 0.000 1.008 150 D CB 4.014 44.941 40.800 0.213 0.000 1.398 150 D HN 0.392 9.073 8.370 0.517 0.000 0.513 151 C N 0.121 119.554 119.300 0.221 0.000 2.871 151 C HA 0.771 5.580 4.460 0.180 -0.242 0.378 151 C C -2.070 172.986 174.990 0.111 0.000 1.052 151 C CA -1.983 57.146 59.018 0.185 0.000 1.250 151 C CB 2.911 30.795 27.740 0.240 0.000 1.689 151 C HN 0.562 8.886 8.230 0.157 0.000 0.506 152 D N 7.643 128.099 120.400 0.094 0.000 2.478 152 D HA 0.607 5.281 4.640 0.057 0.000 0.263 152 D C -0.891 175.444 176.300 0.059 0.000 1.153 152 D CA -2.626 51.415 54.000 0.068 0.000 1.038 152 D CB -0.617 40.224 40.800 0.069 0.000 1.120 152 D HN -0.161 8.273 8.370 0.106 0.000 0.564 153 P HA -0.137 4.324 4.420 0.068 0.000 0.221 153 P C -0.407 176.932 177.300 0.065 0.000 1.145 153 P CA 1.868 65.006 63.100 0.064 0.000 0.795 153 P CB 0.136 31.876 31.700 0.066 0.000 0.775 154 A N -6.544 116.309 122.820 0.056 0.000 2.066 154 A HA -0.165 4.182 4.320 0.045 0.000 0.218 154 A C 0.358 177.975 177.584 0.056 0.000 1.157 154 A CA 0.655 52.722 52.037 0.050 0.000 0.670 154 A CB 0.149 19.174 19.000 0.043 0.000 0.804 154 A HN -0.142 8.219 8.150 0.055 -0.177 0.453 155 G N -4.464 104.370 108.800 0.056 0.000 2.144 155 G HA2 -0.301 3.684 3.960 0.042 0.000 0.218 155 G HA3 -0.301 3.689 3.960 0.051 0.000 0.218 155 G C -0.138 174.796 174.900 0.057 0.000 0.988 155 G CA -0.175 44.956 45.100 0.051 0.000 0.659 155 G HN -0.100 8.161 8.290 0.058 0.063 0.522 156 T N 2.800 117.393 114.554 0.066 0.000 2.907 156 T HA 0.035 4.421 4.350 0.060 0.000 0.298 156 T C -1.381 173.377 174.700 0.097 0.000 1.017 156 T CA 1.764 63.906 62.100 0.071 0.000 1.118 156 T CB 1.119 70.028 68.868 0.069 0.000 0.948 156 T HN 0.174 8.719 8.240 0.065 -0.266 0.531 157 I N 3.389 124.020 120.570 0.101 0.000 2.619 157 I HA 0.610 5.094 4.170 0.194 -0.198 0.292 157 I C -2.566 173.634 176.117 0.138 0.000 1.100 157 I CA -2.231 59.161 61.300 0.153 0.000 1.043 157 I CB 3.709 41.794 38.000 0.142 0.000 1.239 157 I HN 0.164 8.421 8.210 0.078 0.000 0.420 158 N N 7.243 126.038 118.700 0.159 0.000 2.494 158 N HA 0.264 4.980 4.740 -0.040 0.000 0.270 158 N C -2.806 172.609 175.510 -0.159 0.000 1.285 158 N CA -0.582 52.434 53.050 -0.057 0.000 0.812 158 N CB 3.935 42.247 38.487 -0.292 0.000 1.557 158 N HN 0.026 8.665 8.380 0.259 -0.103 0.487 159 E N 0.268 120.218 120.200 -0.417 0.000 2.179 159 E HA 0.657 4.793 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 -0.755 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 4.547 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 -0.195 0.000 1.141 160 Y CB 2.792 41.156 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 -0.269 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 -4.630 118.020 122.820 -0.283 0.000 2.605 162 A HA 0.547 4.855 4.320 -0.242 -0.133 0.294 162 A C -1.852 175.559 177.584 -0.289 0.000 1.062 162 A CA -0.463 51.362 52.037 -0.353 0.000 0.682 162 A CB 2.230 20.799 19.000 -0.718 0.000 1.278 162 A HN -0.719 7.360 8.150 -0.118 0.000 0.410 163 T N -0.659 113.709 114.554 -0.311 0.000 2.676 163 T HA 0.249 4.383 4.350 -0.359 0.000 0.308 163 T C -2.618 171.908 174.700 -0.290 0.000 1.740 163 T CA -0.760 61.080 62.100 -0.434 0.000 0.982 163 T CB 1.892 70.127 68.868 -1.054 0.000 1.724 163 T HN 0.660 8.757 8.240 -0.238 0.000 0.497 164 A N 0.452 123.113 122.820 -0.266 0.000 2.567 164 A HA 0.413 4.705 4.320 -0.160 -0.068 0.289 164 A C -3.177 174.316 177.584 -0.152 0.000 1.177 164 A CA -1.142 50.792 52.037 -0.172 0.000 0.694 164 A CB 3.082 22.008 19.000 -0.122 0.000 1.292 164 A HN 0.151 8.111 8.150 -0.316 0.000 0.425 165 I N -2.300 118.207 120.570 -0.105 0.000 3.099 165 I HA 0.203 4.332 4.170 -0.069 0.000 0.308 165 I C -1.659 174.425 176.117 -0.056 0.000 1.405 165 I CA -1.436 59.817 61.300 -0.077 0.000 0.953 165 I CB 4.247 42.199 38.000 -0.079 0.000 1.324 165 I HN 0.652 8.804 8.210 -0.097 0.000 0.495 166 G N 1.997 110.775 108.800 -0.037 0.000 2.482 166 G HA2 -0.370 3.708 3.960 -0.022 0.000 0.214 166 G HA3 -0.370 3.822 3.960 -0.034 -0.253 0.214 166 G C 0.106 174.995 174.900 -0.017 0.000 1.271 166 G CA 0.288 45.371 45.100 -0.028 0.000 0.944 166 G HN -0.311 7.961 8.290 -0.031 0.000 0.568 167 S N 3.775 119.466 115.700 -0.015 0.000 2.344 167 S HA -0.084 4.648 4.470 -0.002 -0.264 0.217 167 S C 2.392 176.989 174.600 -0.006 0.000 1.033 167 S CA 2.405 60.600 58.200 -0.008 0.000 1.017 167 S CB 0.131 63.327 63.200 -0.007 0.000 0.941 167 S HN -0.069 8.125 8.310 -0.019 0.105 0.430 168 G N -0.044 108.749 108.800 -0.011 0.000 3.374 168 G HA2 0.092 4.053 3.960 0.003 0.000 0.252 168 G HA3 0.092 4.048 3.960 -0.006 0.000 0.252 168 G C -0.619 174.275 174.900 -0.009 0.000 1.326 168 G CA -0.738 44.359 45.100 -0.005 0.000 1.133 168 G HN 0.401 8.681 8.290 -0.016 0.000 0.528 169 K N 2.238 122.630 120.400 -0.014 0.000 1.969 169 K HA -0.345 3.952 4.320 -0.038 0.000 0.216 169 K C 0.864 177.461 176.600 -0.006 0.000 1.048 169 K CA 3.777 60.051 56.287 -0.022 0.000 0.948 169 K CB -0.026 32.458 32.500 -0.026 0.000 0.726 169 K HN -0.745 7.404 8.250 -0.011 0.094 0.442 170 D N -1.064 119.340 120.400 0.007 0.000 2.191 170 D HA -0.390 4.262 4.640 0.019 0.000 0.195 170 D C 1.736 178.054 176.300 0.031 0.000 1.003 170 D CA 3.570 57.581 54.000 0.019 0.000 0.867 170 D CB -0.854 39.960 40.800 0.023 0.000 0.926 170 D HN 0.361 8.735 8.370 0.006 0.000 0.450 171 A N -0.029 122.811 122.820 0.033 0.000 1.825 171 A HA -0.255 4.101 4.320 0.059 0.000 0.214 171 A C 1.643 179.278 177.584 0.084 0.000 1.206 171 A CA 2.835 54.905 52.037 0.055 0.000 0.609 171 A CB -0.732 18.297 19.000 0.048 0.000 0.851 171 A HN -0.233 7.919 8.150 0.023 0.013 0.445 172 V N -0.116 119.830 119.914 0.053 0.000 2.392 172 V HA -0.437 3.735 4.120 0.088 0.000 0.249 172 V C 1.722 177.853 176.094 0.061 0.000 1.059 172 V CA 3.282 65.607 62.300 0.043 0.000 1.051 172 V CB 0.140 31.942 31.823 -0.035 0.000 0.658 172 V HN -0.286 7.920 8.190 0.027 0.000 0.455 173 V N -0.536 119.396 119.914 0.029 0.000 2.343 173 V HA -0.507 3.608 4.120 -0.008 0.000 0.247 173 V C 1.112 177.251 176.094 0.075 0.000 1.051 173 V CA 4.591 66.904 62.300 0.020 0.000 1.036 173 V CB -0.119 31.699 31.823 -0.009 0.000 0.654 173 V HN 0.688 8.876 8.190 0.014 0.010 0.451 174 S N 0.591 116.346 115.700 0.092 0.000 2.356 174 S HA -0.336 4.178 4.470 0.073 0.000 0.223 174 S C 1.937 176.629 174.600 0.153 0.000 1.032 174 S CA 3.829 62.087 58.200 0.095 0.000 1.005 174 S CB -0.487 62.755 63.200 0.070 0.000 0.867 174 S HN -0.596 7.672 8.310 0.079 0.089 0.449 175 F N 2.859 122.821 119.950 0.021 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 0.053 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 8.008 8.300 0.280 0.000 0.476 176 L N -1.505 119.979 121.223 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 0.138 0.000 0.894 176 L HN 0.090 8.511 8.230 0.318 0.000 0.432 177 E N -0.657 119.642 120.200 0.165 0.000 2.253 177 E HA -0.356 4.057 4.350 0.106 0.000 0.202 177 E C 1.867 178.540 176.600 0.121 0.000 1.014 177 E CA 2.854 59.325 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 0.146 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 0.169 0.000 0.900 179 E CB 0.728 30.528 29.700 0.167 0.000 1.054 179 E HN 0.043 8.406 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 0.333 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 -0.787 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 -0.633 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 -0.000 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 -0.025 0.000 2.758 183 N HA -0.035 4.757 4.740 0.087 0.000 0.293 183 N C -0.820 174.713 175.510 0.038 0.000 1.273 183 N CA -0.440 52.633 53.050 0.039 0.000 1.022 183 N CB -0.566 37.947 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 -0.066 0.000 1.164 184 L HN -0.788 7.333 8.230 -0.051 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 -0.805 0.000 0.880 186 E CB 0.069 29.406 29.700 -0.605 0.000 0.783 186 E HN 0.433 8.553 8.360 -0.400 0.000 0.473 187 K N -2.123 118.213 120.400 -0.107 0.000 2.034 187 K HA -0.407 4.066 4.320 0.255 0.000 0.214 187 K C 2.505 179.157 176.600 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 8.319 8.250 -0.100 0.000 0.446 188 E N -1.522 118.676 120.200 -0.002 0.000 2.106 188 E HA -0.262 4.116 4.350 0.046 0.000 0.192 188 E C 2.181 178.762 176.600 -0.032 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 -0.014 0.000 0.750 188 E HN -0.542 7.794 8.360 -0.040 0.000 0.458 189 A N 1.279 124.034 122.820 -0.108 0.000 1.865 189 A HA -0.265 4.038 4.320 -0.028 0.000 0.217 189 A C 1.744 179.270 177.584 -0.097 0.000 1.191 189 A CA 3.333 55.314 52.037 -0.093 0.000 0.623 189 A CB -0.514 18.384 19.000 -0.169 0.000 0.826 189 A HN 0.404 8.279 8.150 -0.163 0.177 0.444 190 V N -2.483 117.318 119.914 -0.189 0.000 2.490 190 V HA -0.470 3.501 4.120 -0.247 0.000 0.250 190 V C 1.258 177.259 176.094 -0.155 0.000 1.061 190 V CA 3.995 66.130 62.300 -0.274 0.000 1.064 190 V CB -0.476 30.990 31.823 -0.596 0.000 0.670 190 V HN 0.471 8.521 8.190 -0.234 0.000 0.461 191 T N 3.808 118.357 114.554 -0.008 0.000 2.614 191 T HA -0.423 4.010 4.350 0.138 0.000 0.263 191 T C 1.574 176.272 174.700 -0.002 0.000 1.055 191 T CA 5.289 67.434 62.100 0.075 0.000 1.162 191 T CB -0.186 68.751 68.868 0.115 0.000 0.863 191 T HN -0.669 7.470 8.240 0.008 0.106 0.414 192 L N 1.017 122.235 121.223 -0.009 0.000 2.051 192 L HA -0.442 3.900 4.340 0.002 0.000 0.214 192 L C 1.808 178.586 176.870 -0.153 0.000 1.076 192 L CA 3.258 58.079 54.840 -0.031 0.000 0.758 192 L CB -0.621 41.449 42.059 0.019 0.000 0.890 192 L HN 0.110 8.342 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 3.446 3.960 -0.123 0.000 0.216 193 G C 0.755 175.536 174.900 -0.198 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 64.226 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 -0.142 0.000 2.025 195 K HA -0.388 3.911 4.320 -0.035 0.000 0.207 195 K C 1.779 178.168 176.600 -0.352 0.000 1.049 195 K CA 3.746 59.954 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 -0.127 0.016 0.438 196 A N 0.015 122.377 122.820 -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 -0.384 0.000 1.191 196 A CA 2.979 54.366 52.037 -1.083 0.000 0.623 196 A CB -0.651 17.785 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 -1.313 119.759 121.223 -0.252 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 -0.133 0.000 0.748 197 L CB -0.445 41.546 42.059 -0.113 0.000 0.891 197 L HN 0.334 8.287 8.230 -0.279 0.109 0.431 198 K N -1.201 119.156 120.400 -0.072 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 -0.001 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 0.063 0.000 2.407 199 S HA -0.452 4.093 4.470 0.124 0.000 0.244 199 S C 1.314 175.972 174.600 0.097 0.000 1.077 199 S CA 3.415 61.698 58.200 0.139 0.000 1.159 199 S CB -0.663 62.743 63.200 0.344 0.000 1.045 199 S HN -0.091 8.249 8.310 0.049 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 0.069 0.000 0.219 200 S C 2.122 176.738 174.600 0.028 0.000 1.064 200 S CA 2.323 60.553 58.200 0.049 0.000 1.173 200 S CB 0.243 63.454 63.200 0.019 0.000 1.118 200 S HN -0.612 7.740 8.310 0.061 -0.006 0.406 201 L N -1.099 120.130 121.223 0.009 0.000 2.353 201 L HA -0.103 4.240 4.340 0.006 0.000 0.220 201 L C 1.887 178.762 176.870 0.010 0.000 1.133 201 L CA 1.389 56.232 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 -0.002 0.000 0.445 202 E N -1.137 119.073 120.200 0.016 0.000 2.651 202 E HA -0.108 4.250 4.350 0.013 0.000 0.236 202 E C 0.694 177.307 176.600 0.022 0.000 1.422 202 E CA -0.508 55.904 56.400 0.019 0.000 1.534 202 E CB -2.589 27.124 29.700 0.023 0.000 1.381 202 E HN 0.133 8.448 8.360 0.019 0.056 0.435 203 E N 0.562 120.773 120.200 0.019 0.000 2.158 203 E HA -0.108 4.255 4.350 0.020 0.000 0.191 203 E C 0.938 177.546 176.600 0.014 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 0.015 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 0.007 0.000 0.273 204 G C -0.817 174.088 174.900 0.010 0.000 1.279 204 G CA -0.924 44.182 45.100 0.009 0.000 1.041 204 G HN -0.510 7.772 8.290 0.011 0.014 0.539 205 E N -0.665 119.543 120.200 0.013 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 0.013 0.000 1.260 205 E CA 2.423 58.831 56.400 0.014 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 0.015 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 29.820 29.700 0.008 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 -0.538 176.333 176.870 0.002 0.000 1.133 207 L CA 1.294 56.136 54.840 0.004 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 0.012 0.000 0.449 208 K N -5.044 115.360 120.400 0.006 0.000 1.968 208 K HA -0.365 3.959 4.320 0.008 0.000 0.393 208 K C -1.522 175.083 176.600 0.009 0.000 1.775 208 K CA 1.296 57.587 56.287 0.006 0.000 0.654 208 K CB -0.747 31.753 32.500 0.001 0.000 1.066 208 K HN -0.363 7.845 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 -2.879 174.705 177.584 -0.000 0.000 1.309 209 A CA -2.359 49.684 52.037 0.011 0.000 0.839 209 A CB 0.368 19.377 19.000 0.014 0.000 1.155 209 A HN 0.094 8.245 8.150 0.003 0.000 0.501 210 P HA 0.095 4.589 4.420 -0.034 -0.095 0.274 210 P C -1.735 175.546 177.300 -0.032 0.000 1.231 210 P CA -0.748 62.334 63.100 -0.029 0.000 0.790 210 P CB 0.928 32.602 31.700 -0.043 0.000 0.951 211 E N 2.214 122.385 120.200 -0.049 0.000 2.133 211 E HA 0.336 4.671 4.350 -0.025 0.000 0.274 211 E C -1.953 174.592 176.600 -0.091 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 8.947 8.360 -0.056 0.000 0.403 212 I N 5.719 126.217 120.570 -0.118 0.000 2.647 212 I HA 0.764 4.967 4.170 -0.195 -0.151 0.295 212 I C -3.016 172.980 176.117 -0.202 0.000 1.078 212 I CA -2.162 58.993 61.300 -0.242 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 -0.065 0.000 0.421 213 A N 6.607 129.345 122.820 -0.137 0.000 2.475 213 A HA 0.920 5.482 4.320 0.191 -0.128 0.301 213 A C -2.436 175.256 177.584 0.179 0.000 1.059 213 A CA -1.450 50.637 52.037 0.083 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 -0.149 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 1.571 122.003 120.570 -0.231 0.000 2.689 215 I HA 0.333 4.365 4.170 -0.230 0.000 0.299 215 I C -2.549 173.450 176.117 -0.196 0.000 1.059 215 I CA -1.670 59.378 61.300 -0.420 0.000 1.055 215 I CB 3.849 41.145 38.000 -1.173 0.000 1.243 215 I HN 0.518 8.613 8.210 -0.192 0.000 0.425 216 T N 7.031 121.531 114.554 -0.090 0.000 2.893 216 T HA 0.305 4.688 4.350 -0.093 -0.089 0.291 216 T C -1.086 173.595 174.700 -0.031 0.000 1.028 216 T CA -1.782 60.303 62.100 -0.025 0.000 0.995 216 T CB 2.012 70.943 68.868 0.106 0.000 1.051 216 T HN 0.248 8.432 8.240 -0.094 0.000 0.470 217 V N 6.433 126.331 119.914 -0.026 0.000 2.752 217 V HA -0.484 3.642 4.120 0.011 0.000 0.306 217 V C 0.609 176.724 176.094 0.034 0.000 1.099 217 V CA 2.582 64.885 62.300 0.005 0.000 1.240 217 V CB 0.576 32.400 31.823 0.001 0.000 0.887 217 V HN 0.447 8.611 8.190 -0.043 0.000 0.499 218 G N 5.662 114.501 108.800 0.064 0.000 2.254 218 G HA2 -0.250 3.756 3.960 0.076 0.000 0.225 218 G HA3 -0.250 3.743 3.960 0.054 0.000 0.225 218 G C -1.423 173.539 174.900 0.105 0.000 1.003 218 G CA -0.224 44.921 45.100 0.075 0.000 0.622 218 G HN 0.488 8.827 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 0.032 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 3.867 4.320 -0.885 -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 -0.396 0.000 1.021 220 K HN -0.094 8.055 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 4.220 4.550 -0.025 0.000 0.339 221 Y C 0.013 175.898 175.900 -0.025 0.000 1.231 221 Y CA 2.576 60.635 58.100 -0.068 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 0.130 0.000 0.310 222 R C -1.644 174.823 176.300 0.279 0.000 0.955 222 R CA -1.372 54.846 56.100 0.198 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 0.193 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 0.097 0.000 1.387 223 I HN 0.411 8.697 8.210 0.127 0.000 0.478 224 Y N 7.907 128.219 120.300 0.020 0.000 2.359 224 Y HA -0.121 4.596 4.550 0.033 -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 0.021 0.000 1.318 224 Y CB 0.527 38.985 38.460 -0.003 0.000 1.234 224 Y HN -0.015 8.552 8.280 0.478 0.000 0.522 225 D N 2.832 123.300 120.400 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 0.077 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 0.037 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 1.643 177.691 176.000 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 0.065 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 29.003 29.700 0.032 0.000 0.750 227 E HN -0.032 8.428 8.360 0.052 -0.069 0.452 228 E N -0.285 119.988 120.200 0.121 0.000 2.085 228 E HA -0.308 4.132 4.350 0.151 0.000 0.194 228 E C 2.461 179.330 176.600 0.448 0.000 0.994 228 E CA 2.799 59.326 56.400 0.211 0.000 0.801 228 E CB 0.001 29.770 29.700 0.116 0.000 0.743 228 E HN -0.484 8.153 8.360 0.093 -0.222 0.453 229 V N -0.325 119.815 119.914 0.377 0.000 2.453 229 V HA -0.324 4.088 4.120 0.487 0.000 0.247 229 V C 1.179 177.454 176.094 0.302 0.000 1.048 229 V CA 3.227 65.745 62.300 0.363 0.000 1.049 229 V CB -0.244 31.682 31.823 0.172 0.000 0.672 229 V HN -0.502 7.854 8.190 0.275 0.000 0.457 230 K N -0.421 120.091 120.400 0.187 0.000 2.209 230 K HA -0.297 4.083 4.320 0.101 0.000 0.204 230 K C 1.943 178.599 176.600 0.093 0.000 1.048 230 K CA 2.885 59.240 56.287 0.114 0.000 0.940 230 K CB -0.438 32.104 32.500 0.071 0.000 0.729 230 K HN -0.470 7.879 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 -0.073 0.000 0.935 231 K CB 0.251 32.641 32.500 -0.184 0.000 0.715 231 K HN -0.397 7.809 8.250 0.161 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 59.303 58.000 0.022 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 4.398 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