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 2ot0_1_A DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGXXXX DATA SEQUENCE XXXESLFISN HAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 1 P C 0.000 177.219 177.300 -0.135 0.000 1.155 1 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 1 P CB 0.000 31.651 31.700 -0.081 0.000 0.726 2 H N 1.009 120.117 119.070 0.062 0.000 2.458 2 H HA 0.470 5.027 4.556 0.001 0.000 0.330 2 H C -0.288 175.023 175.328 -0.029 0.000 1.111 2 H CA -0.177 55.871 56.048 -0.000 0.000 1.245 2 H CB 2.396 32.159 29.762 0.002 0.000 1.456 2 H HN -0.035 8.245 8.280 -0.000 0.000 0.488 3 S N 2.172 117.843 115.700 -0.047 0.000 2.489 3 S HA 0.140 4.610 4.470 0.001 0.000 0.277 3 S C -0.600 173.823 174.600 -0.294 0.000 1.230 3 S CA -0.494 57.648 58.200 -0.098 0.000 1.053 3 S CB -0.195 62.959 63.200 -0.076 0.000 0.955 3 S HN 0.560 8.870 8.310 -0.000 0.000 0.488 4 H N 3.725 122.734 119.070 -0.103 0.000 2.423 4 H HA 0.344 4.900 4.556 0.001 0.000 0.237 4 H C -2.361 172.900 175.328 -0.111 0.000 1.391 4 H CA -1.481 54.513 56.048 -0.090 0.000 1.453 4 H CB 0.022 29.730 29.762 -0.090 0.000 1.484 4 H HN 0.510 8.790 8.280 -0.000 0.000 0.505 5 P HA -0.152 4.268 4.420 -0.000 0.000 0.247 5 P C 0.624 177.909 177.300 -0.025 0.000 1.115 5 P CA 0.388 63.466 63.100 -0.037 0.000 0.799 5 P CB 0.471 32.146 31.700 -0.042 0.000 0.721 6 A N 4.200 127.003 122.820 -0.028 0.000 1.929 6 A HA 0.028 4.348 4.320 0.001 0.000 0.216 6 A C 0.786 178.355 177.584 -0.024 0.000 1.176 6 A CA 1.065 53.098 52.037 -0.007 0.000 0.628 6 A CB -0.149 18.872 19.000 0.034 0.000 0.816 6 A HN 0.498 8.648 8.150 -0.000 0.000 0.444 7 L N -0.299 120.891 121.223 -0.056 0.000 2.370 7 L HA 0.411 4.752 4.340 0.001 0.000 0.266 7 L C 0.264 177.068 176.870 -0.110 0.000 1.002 7 L CA -0.815 53.968 54.840 -0.095 0.000 0.818 7 L CB 2.295 44.254 42.059 -0.167 0.000 1.325 7 L HN 0.253 8.483 8.230 -0.000 0.000 0.418 8 T N -2.220 112.276 114.554 -0.097 0.000 2.847 8 T HA 0.327 4.677 4.350 0.001 0.000 0.279 8 T C -2.102 172.529 174.700 -0.114 0.000 0.984 8 T CA -1.703 60.346 62.100 -0.085 0.000 0.988 8 T CB 1.493 70.326 68.868 -0.057 0.000 1.040 8 T HN 0.300 8.540 8.240 -0.000 0.000 0.528 9 P HA -0.023 4.397 4.420 -0.000 0.000 0.218 9 P C 1.197 178.449 177.300 -0.079 0.000 1.149 9 P CA 0.929 63.975 63.100 -0.089 0.000 0.817 9 P CB 0.065 31.733 31.700 -0.054 0.000 0.785 10 E N -0.515 119.649 120.200 -0.060 0.000 2.047 10 E HA -0.183 4.168 4.350 0.001 0.000 0.191 10 E C 2.156 178.727 176.600 -0.048 0.000 0.987 10 E CA 1.161 57.536 56.400 -0.042 0.000 0.799 10 E CB -0.695 28.987 29.700 -0.030 0.000 0.752 10 E HN 0.357 8.717 8.360 -0.000 0.000 0.449 11 Q N 0.419 120.178 119.800 -0.068 0.000 2.124 11 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 11 Q C 1.996 177.936 176.000 -0.101 0.000 0.977 11 Q CA 1.180 56.942 55.803 -0.068 0.000 0.850 11 Q CB -0.060 28.633 28.738 -0.075 0.000 0.901 11 Q HN 0.172 8.442 8.270 -0.000 0.000 0.429 12 K N 0.887 121.162 120.400 -0.208 0.000 2.002 12 K HA -0.173 4.147 4.320 0.001 0.000 0.209 12 K C 2.103 178.687 176.600 -0.026 0.000 1.048 12 K CA 1.226 57.296 56.287 -0.362 0.000 0.930 12 K CB -0.122 31.997 32.500 -0.635 0.000 0.714 12 K HN 0.029 8.279 8.250 -0.000 0.000 0.438 13 K N 1.665 122.057 120.400 -0.013 0.000 2.032 13 K HA -0.267 4.054 4.320 0.001 0.000 0.209 13 K C 2.127 178.761 176.600 0.057 0.000 1.048 13 K CA 1.941 58.252 56.287 0.040 0.000 0.927 13 K CB -0.035 32.469 32.500 0.007 0.000 0.712 13 K HN 0.167 8.417 8.250 -0.000 0.000 0.441 14 E N 0.601 120.822 120.200 0.035 0.000 2.058 14 E HA -0.220 4.130 4.350 0.001 0.000 0.194 14 E C 2.128 178.776 176.600 0.080 0.000 0.997 14 E CA 1.461 57.889 56.400 0.045 0.000 0.801 14 E CB -0.120 29.597 29.700 0.029 0.000 0.746 14 E HN 0.379 8.739 8.360 -0.000 0.000 0.450 15 L N 0.339 121.625 121.223 0.105 0.000 2.017 15 L HA -0.168 4.172 4.340 0.001 0.000 0.208 15 L C 2.861 179.842 176.870 0.185 0.000 1.073 15 L CA 1.301 56.230 54.840 0.149 0.000 0.745 15 L CB -0.567 41.612 42.059 0.200 0.000 0.894 15 L HN 0.197 8.427 8.230 -0.000 0.000 0.432 16 S N -0.309 115.550 115.700 0.264 0.000 2.368 16 S HA -0.213 4.257 4.470 0.001 0.000 0.225 16 S C 1.653 176.428 174.600 0.293 0.000 1.030 16 S CA 1.717 60.088 58.200 0.285 0.000 0.999 16 S CB -0.237 63.141 63.200 0.296 0.000 0.844 16 S HN 0.391 8.701 8.310 -0.000 0.000 0.459 17 D N 1.113 121.604 120.400 0.152 0.000 2.117 17 D HA -0.034 4.606 4.640 0.001 0.000 0.197 17 D C 1.899 178.263 176.300 0.106 0.000 0.987 17 D CA 1.067 55.125 54.000 0.097 0.000 0.829 17 D CB -0.407 40.418 40.800 0.040 0.000 0.961 17 D HN 0.455 8.825 8.370 -0.000 0.000 0.460 18 I N 1.091 121.714 120.570 0.088 0.000 2.179 18 I HA -0.265 3.905 4.170 0.001 0.000 0.242 18 I C 2.461 178.583 176.117 0.009 0.000 1.088 18 I CA 1.011 62.345 61.300 0.055 0.000 1.357 18 I CB -0.186 37.857 38.000 0.072 0.000 1.051 18 I HN -0.072 8.138 8.210 -0.000 0.000 0.409 19 A N 0.242 123.073 122.820 0.018 0.000 1.883 19 A HA -0.284 4.037 4.320 0.001 0.000 0.217 19 A C 2.053 179.550 177.584 -0.145 0.000 1.186 19 A CA 2.001 53.983 52.037 -0.091 0.000 0.624 19 A CB -1.073 17.872 19.000 -0.092 0.000 0.822 19 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 20 H N -0.730 118.301 119.070 -0.065 0.000 2.423 20 H HA 0.004 4.560 4.556 0.001 0.000 0.297 20 H C 2.320 177.603 175.328 -0.074 0.000 1.075 20 H CA 1.609 57.620 56.048 -0.062 0.000 1.342 20 H CB -0.056 29.685 29.762 -0.035 0.000 1.395 20 H HN 0.454 8.734 8.280 -0.000 0.000 0.530 21 R N 0.038 120.564 120.500 0.044 0.000 2.081 21 R HA -0.084 4.257 4.340 0.001 0.000 0.235 21 R C 2.141 178.393 176.300 -0.080 0.000 1.131 21 R CA 1.527 57.622 56.100 -0.009 0.000 0.960 21 R CB -0.283 30.016 30.300 -0.001 0.000 0.856 21 R HN 0.312 8.582 8.270 -0.000 0.000 0.436 22 I N 0.659 121.137 120.570 -0.153 0.000 2.226 22 I HA -0.191 3.980 4.170 0.001 0.000 0.245 22 I C 1.709 177.671 176.117 -0.260 0.000 1.100 22 I CA 1.142 62.285 61.300 -0.262 0.000 1.374 22 I CB -0.041 37.685 38.000 -0.457 0.000 1.057 22 I HN 0.070 8.280 8.210 -0.000 0.000 0.413 23 V N -1.574 118.205 119.914 -0.225 0.000 3.043 23 V HA 0.561 4.681 4.120 0.001 0.000 0.357 23 V C 0.794 176.811 176.094 -0.128 0.000 1.372 23 V CA -0.783 61.389 62.300 -0.213 0.000 1.214 23 V CB -0.961 30.724 31.823 -0.229 0.000 1.224 23 V HN 0.152 8.342 8.190 -0.000 0.000 0.507 24 A N 1.522 124.289 122.820 -0.089 0.000 2.520 24 A HA 0.479 4.799 4.320 0.001 0.000 0.235 24 A C -1.915 175.649 177.584 -0.034 0.000 1.065 24 A CA -0.745 51.270 52.037 -0.035 0.000 0.764 24 A CB -0.683 18.305 19.000 -0.020 0.000 1.002 24 A HN 0.510 8.660 8.150 -0.000 0.000 0.502 25 P HA 0.076 4.496 4.420 -0.000 0.000 0.259 25 P C 1.084 178.389 177.300 0.007 0.000 1.155 25 P CA 2.324 65.427 63.100 0.004 0.000 0.759 25 P CB 0.168 31.875 31.700 0.012 0.000 0.753 26 G N 2.182 110.996 108.800 0.023 0.000 2.205 26 G HA2 -0.269 3.691 3.960 0.001 0.000 0.261 26 G HA3 -0.269 3.691 3.960 0.001 0.000 0.261 26 G C 0.066 174.996 174.900 0.050 0.000 0.980 26 G CA -0.024 45.103 45.100 0.046 0.000 0.632 26 G HN 0.541 8.831 8.290 -0.000 0.000 0.533 27 K N 0.304 120.690 120.400 -0.024 0.000 2.123 27 K HA 0.648 4.969 4.320 0.001 0.000 0.259 27 K C 0.526 176.915 176.600 -0.351 0.000 0.960 27 K CA -0.087 56.139 56.287 -0.102 0.000 0.872 27 K CB 1.929 34.362 32.500 -0.111 0.000 1.079 27 K HN 0.350 8.600 8.250 -0.000 0.000 0.440 28 G N 1.238 109.635 108.800 -0.671 0.000 2.921 28 G HA2 0.643 4.603 3.960 0.001 0.000 0.291 28 G HA3 0.643 4.603 3.960 0.001 0.000 0.291 28 G C -1.205 173.111 174.900 -0.974 0.000 1.370 28 G CA -0.794 43.322 45.100 -1.640 0.000 0.847 28 G HN 0.449 8.739 8.290 -0.000 0.000 0.532 29 I N 0.315 120.345 120.570 -0.901 0.000 2.474 29 I HA 0.353 4.524 4.170 0.001 0.000 0.294 29 I C -0.953 175.183 176.117 0.032 0.000 1.005 29 I CA -0.790 60.347 61.300 -0.272 0.000 1.113 29 I CB 2.138 40.025 38.000 -0.188 0.000 1.289 29 I HN 0.294 8.504 8.210 -0.000 0.000 0.436 30 L N 6.677 127.976 121.223 0.127 0.000 2.257 30 L HA 0.623 4.963 4.340 0.001 0.000 0.290 30 L C 0.071 177.009 176.870 0.113 0.000 1.044 30 L CA -0.053 54.898 54.840 0.185 0.000 0.810 30 L CB 0.964 43.118 42.059 0.158 0.000 1.193 30 L HN 0.673 8.903 8.230 -0.000 0.000 0.425 31 A N 4.975 127.874 122.820 0.131 0.000 2.506 31 A HA 0.692 5.012 4.320 0.001 0.000 0.320 31 A C 0.573 178.184 177.584 0.045 0.000 1.424 31 A CA 0.112 52.207 52.037 0.096 0.000 1.044 31 A CB -0.028 19.049 19.000 0.127 0.000 1.140 31 A HN 1.086 9.236 8.150 -0.000 0.000 0.538 32 A N 2.780 125.594 122.820 -0.010 0.000 2.713 32 A HA 0.341 4.662 4.320 0.001 0.000 0.296 32 A C 0.521 178.092 177.584 -0.022 0.000 1.255 32 A CA 0.168 52.171 52.037 -0.056 0.000 0.955 32 A CB -0.090 18.806 19.000 -0.174 0.000 1.149 32 A HN 0.725 8.875 8.150 -0.000 0.000 0.538 33 D N -0.290 120.119 120.400 0.015 0.000 2.460 33 D HA 0.076 4.716 4.640 0.001 0.000 0.229 33 D C -0.591 175.717 176.300 0.013 0.000 1.170 33 D CA -0.187 53.849 54.000 0.060 0.000 0.827 33 D CB -0.049 40.791 40.800 0.066 0.000 0.973 33 D HN 0.270 8.640 8.370 -0.000 0.000 0.496 34 E N 1.298 121.477 120.200 -0.035 0.000 2.480 34 E HA 0.068 4.418 4.350 0.001 0.000 0.258 34 E C 0.603 176.996 176.600 -0.344 0.000 0.984 34 E CA -0.001 56.329 56.400 -0.116 0.000 0.930 34 E CB 0.557 30.224 29.700 -0.055 0.000 0.936 34 E HN 0.299 8.659 8.360 -0.000 0.000 0.466 35 S N 1.671 117.080 115.700 -0.484 0.000 2.589 35 S HA -0.040 4.430 4.470 0.001 0.000 0.265 35 S C 1.406 175.627 174.600 -0.632 0.000 1.342 35 S CA -0.110 57.508 58.200 -0.969 0.000 1.005 35 S CB 1.278 64.143 63.200 -0.560 0.000 0.909 35 S HN 0.630 8.940 8.310 -0.000 0.000 0.555 36 T N 1.413 115.584 114.554 -0.639 0.000 2.778 36 T HA -0.083 4.268 4.350 0.001 0.000 0.269 36 T C 1.790 176.408 174.700 -0.138 0.000 1.050 36 T CA 2.103 64.070 62.100 -0.222 0.000 1.137 36 T CB -1.325 67.515 68.868 -0.047 0.000 0.860 36 T HN 0.859 9.099 8.240 -0.000 0.000 0.468 37 G N -0.523 108.184 108.800 -0.154 0.000 2.421 37 G HA2 -0.090 3.870 3.960 0.001 0.000 0.217 37 G HA3 -0.090 3.870 3.960 0.001 0.000 0.217 37 G C 1.864 176.711 174.900 -0.089 0.000 1.143 37 G CA 1.109 46.152 45.100 -0.094 0.000 0.784 37 G HN 0.571 8.861 8.290 -0.000 0.000 0.541 38 S N 0.169 115.797 115.700 -0.121 0.000 2.356 38 S HA -0.051 4.420 4.470 0.001 0.000 0.219 38 S C 2.312 176.873 174.600 -0.065 0.000 1.036 38 S CA 0.876 59.023 58.200 -0.088 0.000 0.965 38 S CB -0.268 62.873 63.200 -0.099 0.000 0.864 38 S HN 0.143 8.453 8.310 -0.000 0.000 0.471 39 I N 2.513 123.037 120.570 -0.077 0.000 2.399 39 I HA -0.094 4.076 4.170 0.001 0.000 0.254 39 I C 2.225 178.332 176.117 -0.016 0.000 1.146 39 I CA 1.153 62.437 61.300 -0.027 0.000 1.412 39 I CB -0.870 37.125 38.000 -0.009 0.000 1.076 39 I HN 0.363 8.573 8.210 -0.000 0.000 0.432 40 A N 0.209 123.012 122.820 -0.028 0.000 1.877 40 A HA -0.256 4.064 4.320 0.001 0.000 0.216 40 A C 2.358 179.928 177.584 -0.023 0.000 1.186 40 A CA 2.007 54.033 52.037 -0.018 0.000 0.620 40 A CB -0.619 18.367 19.000 -0.022 0.000 0.822 40 A HN 0.483 8.633 8.150 -0.000 0.000 0.443 41 K N -0.989 119.393 120.400 -0.030 0.000 2.097 41 K HA -0.143 4.178 4.320 0.001 0.000 0.206 41 K C 2.297 178.877 176.600 -0.033 0.000 1.049 41 K CA 1.448 57.717 56.287 -0.030 0.000 0.933 41 K CB -0.153 32.330 32.500 -0.029 0.000 0.717 41 K HN 0.214 8.464 8.250 -0.000 0.000 0.442 42 R N 1.110 121.590 120.500 -0.033 0.000 2.082 42 R HA -0.055 4.285 4.340 0.001 0.000 0.234 42 R C 2.186 178.446 176.300 -0.066 0.000 1.136 42 R CA 1.352 57.424 56.100 -0.047 0.000 0.935 42 R CB -0.713 29.558 30.300 -0.048 0.000 0.842 42 R HN 0.130 8.400 8.270 -0.000 0.000 0.430 43 L N 0.265 121.457 121.223 -0.051 0.000 2.083 43 L HA -0.203 4.137 4.340 0.001 0.000 0.209 43 L C 2.673 179.501 176.870 -0.070 0.000 1.083 43 L CA 1.492 56.300 54.840 -0.053 0.000 0.752 43 L CB -0.538 41.522 42.059 0.001 0.000 0.899 43 L HN 0.368 8.598 8.230 -0.000 0.000 0.433 44 Q N 0.447 120.216 119.800 -0.051 0.000 2.050 44 Q HA -0.237 4.104 4.340 0.001 0.000 0.202 44 Q C 2.375 178.339 176.000 -0.059 0.000 0.980 44 Q CA 2.316 58.089 55.803 -0.051 0.000 0.840 44 Q CB -0.064 28.652 28.738 -0.037 0.000 0.898 44 Q HN 0.563 8.833 8.270 -0.000 0.000 0.424 45 S N 0.755 116.422 115.700 -0.055 0.000 2.420 45 S HA -0.179 4.291 4.470 0.001 0.000 0.237 45 S C 1.591 176.151 174.600 -0.067 0.000 1.023 45 S CA 1.339 59.507 58.200 -0.052 0.000 0.991 45 S CB -0.745 62.430 63.200 -0.042 0.000 0.792 45 S HN 0.614 8.924 8.310 -0.000 0.000 0.488 46 I N -2.750 117.763 120.570 -0.095 0.000 3.736 46 I HA 0.611 4.782 4.170 0.001 0.000 0.338 46 I C 0.839 176.862 176.117 -0.157 0.000 1.558 46 I CA -0.322 60.900 61.300 -0.130 0.000 1.147 46 I CB -0.439 37.456 38.000 -0.174 0.000 1.275 46 I HN 0.207 8.417 8.210 -0.000 0.000 0.454 47 G N 1.950 110.680 108.800 -0.116 0.000 2.412 47 G HA2 -0.237 3.724 3.960 0.001 0.000 0.297 47 G HA3 -0.237 3.724 3.960 0.001 0.000 0.297 47 G C -0.041 174.776 174.900 -0.138 0.000 0.965 47 G CA 0.779 45.814 45.100 -0.109 0.000 1.134 47 G HN 0.545 8.835 8.290 -0.000 0.000 0.511 48 T N -0.174 114.297 114.554 -0.138 0.000 2.841 48 T HA 0.432 4.783 4.350 0.001 0.000 0.285 48 T C 0.096 174.755 174.700 -0.069 0.000 0.991 48 T CA -0.546 61.467 62.100 -0.145 0.000 0.966 48 T CB 1.959 70.686 68.868 -0.233 0.000 0.962 48 T HN 0.482 8.722 8.240 -0.000 0.000 0.438 49 E N 2.632 122.804 120.200 -0.046 0.000 2.415 49 E HA 0.000 4.351 4.350 0.001 0.000 0.263 49 E C 0.124 176.736 176.600 0.019 0.000 0.995 49 E CA -0.322 56.071 56.400 -0.013 0.000 0.915 49 E CB 0.375 30.070 29.700 -0.008 0.000 0.951 49 E HN 0.438 8.798 8.360 -0.000 0.000 0.449 50 N N 3.728 122.442 118.700 0.024 0.000 2.549 50 N HA 0.006 4.747 4.740 0.001 0.000 0.267 50 N C -1.359 174.189 175.510 0.063 0.000 1.182 50 N CA -0.029 53.050 53.050 0.048 0.000 1.019 50 N CB 0.223 38.729 38.487 0.032 0.000 1.380 50 N HN 0.442 8.822 8.380 -0.000 0.000 0.505 51 T N -0.947 113.659 114.554 0.087 0.000 2.885 51 T HA 0.249 4.600 4.350 0.001 0.000 0.285 51 T C 0.945 175.719 174.700 0.123 0.000 1.019 51 T CA -0.875 61.279 62.100 0.090 0.000 1.010 51 T CB 1.624 70.540 68.868 0.079 0.000 1.022 51 T HN 0.432 8.672 8.240 -0.000 0.000 0.466 52 E N 0.333 120.603 120.200 0.117 0.000 2.219 52 E HA -0.245 4.105 4.350 0.001 0.000 0.198 52 E C 1.652 178.349 176.600 0.161 0.000 0.998 52 E CA 1.117 57.601 56.400 0.140 0.000 0.818 52 E CB 0.050 29.823 29.700 0.122 0.000 0.741 52 E HN 0.689 9.049 8.360 -0.000 0.000 0.477 53 E N 0.939 121.227 120.200 0.147 0.000 2.047 53 E HA -0.158 4.193 4.350 0.001 0.000 0.191 53 E C 1.683 178.429 176.600 0.243 0.000 0.987 53 E CA 0.989 57.489 56.400 0.167 0.000 0.799 53 E CB -0.196 29.577 29.700 0.122 0.000 0.752 53 E HN 0.319 8.679 8.360 -0.000 0.000 0.449 54 N N 0.517 119.365 118.700 0.248 0.000 2.216 54 N HA -0.072 4.669 4.740 0.001 0.000 0.183 54 N C 1.908 177.651 175.510 0.388 0.000 1.017 54 N CA 0.624 53.897 53.050 0.373 0.000 0.861 54 N CB -0.240 38.446 38.487 0.330 0.000 0.986 54 N HN 0.165 8.545 8.380 -0.000 0.000 0.428 55 R N 0.746 121.416 120.500 0.284 0.000 2.096 55 R HA 0.002 4.342 4.340 0.001 0.000 0.235 55 R C 2.252 178.697 176.300 0.242 0.000 1.127 55 R CA 0.749 57.004 56.100 0.259 0.000 0.968 55 R CB -0.090 30.334 30.300 0.207 0.000 0.861 55 R HN 0.216 8.486 8.270 -0.000 0.000 0.440 56 R N 0.040 120.700 120.500 0.266 0.000 2.073 56 R HA -0.116 4.224 4.340 0.001 0.000 0.229 56 R C 2.044 178.503 176.300 0.265 0.000 1.120 56 R CA 1.205 57.495 56.100 0.315 0.000 0.967 56 R CB -0.250 30.222 30.300 0.287 0.000 0.862 56 R HN 0.125 8.395 8.270 -0.000 0.000 0.436 57 F N 0.502 120.525 119.950 0.121 0.000 2.134 57 F HA -0.248 4.279 4.527 0.001 0.000 0.299 57 F C 2.038 177.717 175.800 -0.202 0.000 1.097 57 F CA 1.516 59.529 58.000 0.022 0.000 1.264 57 F CB -0.509 38.546 39.000 0.091 0.000 1.001 57 F HN 0.080 8.380 8.300 -0.000 0.000 0.479 58 Y N 1.036 121.128 120.300 -0.347 0.000 2.145 58 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 58 Y C 2.445 178.032 175.900 -0.521 0.000 1.145 58 Y CA 1.741 59.428 58.100 -0.687 0.000 1.148 58 Y CB -0.653 37.526 38.460 -0.468 0.000 0.981 58 Y HN -0.123 8.157 8.280 -0.000 0.000 0.507 59 R N 0.530 120.726 120.500 -0.507 0.000 2.096 59 R HA -0.164 4.177 4.340 0.001 0.000 0.235 59 R C 2.433 178.239 176.300 -0.823 0.000 1.127 59 R CA 1.680 57.362 56.100 -0.697 0.000 0.968 59 R CB -0.927 29.052 30.300 -0.535 0.000 0.861 59 R HN 0.610 8.880 8.270 -0.000 0.000 0.440 60 Q N 0.346 119.776 119.800 -0.617 0.000 2.096 60 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 60 Q C 1.990 177.680 176.000 -0.516 0.000 0.982 60 Q CA 1.617 57.155 55.803 -0.442 0.000 0.850 60 Q CB -0.212 28.468 28.738 -0.097 0.000 0.901 60 Q HN 0.444 8.714 8.270 -0.000 0.000 0.422 61 L N 0.216 121.023 121.223 -0.694 0.000 2.042 61 L HA -0.201 4.140 4.340 0.001 0.000 0.210 61 L C 2.148 178.717 176.870 -0.501 0.000 1.076 61 L CA 1.177 55.640 54.840 -0.628 0.000 0.749 61 L CB -0.133 41.470 42.059 -0.759 0.000 0.893 61 L HN 0.339 8.569 8.230 -0.000 0.000 0.432 62 L N -0.665 120.156 121.223 -0.670 0.000 2.044 62 L HA -0.192 4.148 4.340 0.001 0.000 0.205 62 L C 2.491 179.073 176.870 -0.480 0.000 1.075 62 L CA 0.989 55.398 54.840 -0.718 0.000 0.747 62 L CB -0.459 41.039 42.059 -0.936 0.000 0.903 62 L HN 0.297 8.527 8.230 -0.000 0.000 0.435 63 L N -0.414 120.532 121.223 -0.461 0.000 2.201 63 L HA -0.113 4.227 4.340 0.001 0.000 0.212 63 L C 2.144 178.922 176.870 -0.153 0.000 1.105 63 L CA 1.513 56.173 54.840 -0.301 0.000 0.775 63 L CB -0.865 40.949 42.059 -0.409 0.000 0.913 63 L HN 0.432 8.662 8.230 -0.000 0.000 0.440 64 T N -2.807 111.651 114.554 -0.160 0.000 3.206 64 T HA 0.453 4.804 4.350 0.001 0.000 0.253 64 T C 0.710 175.386 174.700 -0.040 0.000 1.042 64 T CA -0.111 61.942 62.100 -0.078 0.000 0.931 64 T CB -0.059 68.761 68.868 -0.079 0.000 1.029 64 T HN 0.169 8.409 8.240 -0.000 0.000 0.564 65 A N 2.683 125.501 122.820 -0.002 0.000 2.520 65 A HA 0.406 4.727 4.320 0.001 0.000 0.235 65 A C 0.585 178.189 177.584 0.033 0.000 1.065 65 A CA -0.394 51.676 52.037 0.056 0.000 0.764 65 A CB -0.333 18.790 19.000 0.206 0.000 1.002 65 A HN 0.780 8.930 8.150 -0.000 0.000 0.502 66 D N 0.946 121.358 120.400 0.019 0.000 2.341 66 D HA -0.058 4.583 4.640 0.001 0.000 0.233 66 D C 0.130 176.433 176.300 0.005 0.000 1.270 66 D CA 0.242 54.248 54.000 0.009 0.000 0.883 66 D CB 0.387 41.191 40.800 0.007 0.000 1.207 66 D HN 0.456 8.826 8.370 -0.000 0.000 0.471 67 D N -0.355 120.047 120.400 0.003 0.000 2.411 67 D HA -0.121 4.520 4.640 0.001 0.000 0.226 67 D C 1.643 177.939 176.300 -0.007 0.000 0.988 67 D CA 0.522 54.522 54.000 0.001 0.000 0.938 67 D CB -0.089 40.713 40.800 0.003 0.000 0.883 67 D HN 0.425 8.795 8.370 -0.000 0.000 0.525 68 R N 0.188 120.678 120.500 -0.016 0.000 2.189 68 R HA -0.072 4.268 4.340 0.001 0.000 0.223 68 R C 2.249 178.523 176.300 -0.045 0.000 1.092 68 R CA 0.733 56.816 56.100 -0.028 0.000 0.989 68 R CB -0.009 30.270 30.300 -0.035 0.000 0.876 68 R HN 0.221 8.491 8.270 -0.000 0.000 0.457 69 V N -1.686 118.196 119.914 -0.054 0.000 3.406 69 V HA 0.000 4.121 4.120 0.001 0.000 0.263 69 V C 1.222 177.307 176.094 -0.016 0.000 1.172 69 V CA 0.868 63.124 62.300 -0.073 0.000 1.140 69 V CB -0.285 31.471 31.823 -0.111 0.000 0.784 69 V HN 0.062 8.252 8.190 -0.000 0.000 0.467 70 N N 2.650 121.348 118.700 -0.003 0.000 2.021 70 N HA -0.100 4.641 4.740 0.001 0.000 0.198 70 N C -0.381 175.133 175.510 0.006 0.000 1.041 70 N CA 2.561 55.615 53.050 0.007 0.000 0.862 70 N CB -1.785 36.705 38.487 0.005 0.000 1.048 70 N HN 0.500 8.880 8.380 -0.000 0.000 0.427 71 P HA 0.121 4.541 4.420 -0.000 0.000 0.242 71 P C 0.417 177.727 177.300 0.017 0.000 1.197 71 P CA 0.733 63.837 63.100 0.007 0.000 0.765 71 P CB -0.005 31.699 31.700 0.006 0.000 0.936 72 C N -0.761 118.555 119.300 0.025 0.000 2.558 72 C HA 0.243 4.704 4.460 0.001 0.000 0.288 72 C C 1.203 176.256 174.990 0.106 0.000 1.338 72 C CA -0.117 58.947 59.018 0.076 0.000 1.760 72 C CB -0.278 27.489 27.740 0.046 0.000 2.159 72 C HN 0.085 8.315 8.230 -0.000 0.000 0.518 73 I N 2.337 122.942 120.570 0.057 0.000 2.306 73 I HA 0.265 4.435 4.170 0.001 0.000 0.288 73 I C 1.317 177.423 176.117 -0.019 0.000 1.036 73 I CA 0.288 61.613 61.300 0.041 0.000 1.221 73 I CB 0.232 38.290 38.000 0.097 0.000 1.385 73 I HN 0.292 8.502 8.210 -0.000 0.000 0.472 74 G N 4.734 113.475 108.800 -0.097 0.000 2.603 74 G HA2 0.312 4.272 3.960 0.001 0.000 0.214 74 G HA3 0.312 4.272 3.960 0.001 0.000 0.214 74 G C 0.622 175.469 174.900 -0.088 0.000 1.140 74 G CA 0.269 45.305 45.100 -0.106 0.000 0.800 74 G HN 0.702 8.992 8.290 -0.000 0.000 0.533 75 G N -1.283 107.472 108.800 -0.075 0.000 2.718 75 G HA2 0.483 4.444 3.960 0.001 0.000 0.295 75 G HA3 0.483 4.444 3.960 0.001 0.000 0.295 75 G C -2.070 172.929 174.900 0.164 0.000 1.421 75 G CA -0.374 44.764 45.100 0.064 0.000 0.902 75 G HN 0.311 8.601 8.290 -0.000 0.000 0.501 76 V N 2.032 122.098 119.914 0.254 0.000 2.482 76 V HA 0.406 4.527 4.120 0.001 0.000 0.295 76 V C -0.146 175.972 176.094 0.041 0.000 1.026 76 V CA -0.567 61.801 62.300 0.113 0.000 0.856 76 V CB 1.447 33.271 31.823 0.001 0.000 1.001 76 V HN 0.672 8.862 8.190 -0.000 0.000 0.424 77 I N 6.011 126.604 120.570 0.039 0.000 2.371 77 I HA 0.441 4.612 4.170 0.001 0.000 0.290 77 I C -0.341 175.714 176.117 -0.104 0.000 1.028 77 I CA -0.091 61.154 61.300 -0.092 0.000 1.345 77 I CB 0.914 38.926 38.000 0.021 0.000 1.407 77 I HN 0.362 8.572 8.210 -0.000 0.000 0.501 78 L N 5.386 126.511 121.223 -0.164 0.000 2.301 78 L HA 0.546 4.887 4.340 0.001 0.000 0.264 78 L C -0.521 176.333 176.870 -0.026 0.000 1.016 78 L CA -0.793 53.988 54.840 -0.099 0.000 0.821 78 L CB 1.996 43.963 42.059 -0.153 0.000 1.346 78 L HN 0.385 8.615 8.230 -0.000 0.000 0.429 79 F N -0.519 119.377 119.950 -0.090 0.000 2.380 79 F HA 0.272 4.799 4.527 0.001 0.000 0.321 79 F C 1.427 177.234 175.800 0.013 0.000 1.103 79 F CA -0.108 57.877 58.000 -0.025 0.000 1.067 79 F CB 0.920 39.933 39.000 0.022 0.000 1.265 79 F HN 0.539 8.839 8.300 -0.000 0.000 0.517 80 H N 1.395 119.881 119.070 -0.974 0.000 2.289 80 H HA -0.221 4.336 4.556 0.001 0.000 0.294 80 H C 2.159 177.408 175.328 -0.132 0.000 1.095 80 H CA 2.670 58.419 56.048 -0.498 0.000 1.256 80 H CB -0.106 29.333 29.762 -0.539 0.000 1.359 80 H HN 0.815 9.095 8.280 -0.000 0.000 0.487 81 E N -0.887 119.303 120.200 -0.017 0.000 2.049 81 E HA -0.222 4.129 4.350 0.001 0.000 0.198 81 E C 2.002 178.717 176.600 0.192 0.000 1.007 81 E CA 2.162 58.698 56.400 0.227 0.000 0.809 81 E CB -0.151 29.765 29.700 0.360 0.000 0.749 81 E HN 0.599 8.959 8.360 -0.000 0.000 0.450 82 T N 1.650 116.319 114.554 0.191 0.000 2.759 82 T HA -0.179 4.172 4.350 0.001 0.000 0.269 82 T C 1.779 176.552 174.700 0.121 0.000 1.042 82 T CA 1.107 63.335 62.100 0.212 0.000 1.140 82 T CB -0.311 68.640 68.868 0.139 0.000 0.864 82 T HN 0.150 8.390 8.240 -0.000 0.000 0.455 83 L N 0.326 121.472 121.223 -0.129 0.000 2.187 83 L HA -0.073 4.268 4.340 0.001 0.000 0.213 83 L C 1.059 177.586 176.870 -0.572 0.000 1.100 83 L CA 1.639 56.233 54.840 -0.409 0.000 0.765 83 L CB -0.556 41.082 42.059 -0.701 0.000 0.904 83 L HN 0.325 8.555 8.230 -0.000 0.000 0.437 84 Y N -1.318 118.946 120.300 -0.061 0.000 2.584 84 Y HA 0.351 4.901 4.550 0.001 0.000 0.254 84 Y C 0.877 176.728 175.900 -0.082 0.000 1.177 84 Y CA -0.640 57.419 58.100 -0.068 0.000 1.216 84 Y CB -0.126 38.285 38.460 -0.081 0.000 1.172 84 Y HN 0.235 8.515 8.280 -0.000 0.000 0.529 85 Q N 0.586 120.374 119.800 -0.019 0.000 2.180 85 Q HA 0.510 4.850 4.340 0.001 0.000 0.241 85 Q C -0.592 174.979 176.000 -0.716 0.000 0.970 85 Q CA -0.815 54.846 55.803 -0.236 0.000 0.919 85 Q CB 1.665 30.345 28.738 -0.097 0.000 1.222 85 Q HN 0.135 8.405 8.270 -0.000 0.000 0.482 86 K N -0.149 119.767 120.400 -0.807 0.000 2.385 86 K HA 0.648 4.969 4.320 0.001 0.000 0.248 86 K C -1.025 175.096 176.600 -0.797 0.000 0.955 86 K CA -0.721 55.091 56.287 -0.793 0.000 0.816 86 K CB 1.918 34.222 32.500 -0.327 0.000 1.250 86 K HN 0.639 8.889 8.250 -0.000 0.000 0.434 87 A N 0.792 123.330 122.820 -0.470 0.000 2.310 87 A HA 0.058 4.379 4.320 0.001 0.000 0.260 87 A C 0.421 177.976 177.584 -0.047 0.000 1.112 87 A CA 0.001 51.997 52.037 -0.069 0.000 0.804 87 A CB 0.011 19.065 19.000 0.091 0.000 1.081 87 A HN 0.843 8.993 8.150 -0.000 0.000 0.499 88 D N 0.128 120.547 120.400 0.031 0.000 2.182 88 D HA -0.147 4.494 4.640 0.001 0.000 0.201 88 D C 0.993 177.304 176.300 0.018 0.000 0.986 88 D CA 1.814 55.839 54.000 0.042 0.000 0.847 88 D CB -0.264 40.586 40.800 0.083 0.000 0.942 88 D HN 0.720 9.090 8.370 -0.000 0.000 0.467 89 D N -0.893 119.515 120.400 0.013 0.000 2.352 89 D HA 0.072 4.712 4.640 0.001 0.000 0.232 89 D C 1.555 177.849 176.300 -0.010 0.000 1.055 89 D CA 0.839 54.844 54.000 0.007 0.000 0.891 89 D CB -0.200 40.607 40.800 0.013 0.000 0.897 89 D HN 0.249 8.619 8.370 -0.000 0.000 0.529 90 G N 0.235 109.017 108.800 -0.031 0.000 2.225 90 G HA2 -0.340 3.621 3.960 0.001 0.000 0.254 90 G HA3 -0.340 3.621 3.960 0.001 0.000 0.254 90 G C 0.361 175.222 174.900 -0.064 0.000 0.988 90 G CA -0.079 44.992 45.100 -0.048 0.000 0.625 90 G HN 0.465 8.755 8.290 -0.000 0.000 0.527 91 R N 1.442 121.911 120.500 -0.051 0.000 2.489 91 R HA 0.345 4.686 4.340 0.001 0.000 0.287 91 R C -2.368 173.878 176.300 -0.089 0.000 1.053 91 R CA -1.255 54.820 56.100 -0.043 0.000 1.036 91 R CB 0.297 30.594 30.300 -0.005 0.000 0.966 91 R HN 0.175 8.445 8.270 -0.000 0.000 0.432 92 P HA -0.063 4.357 4.420 -0.000 0.000 0.268 92 P C 0.204 177.493 177.300 -0.018 0.000 1.205 92 P CA 0.052 63.087 63.100 -0.108 0.000 0.771 92 P CB 0.355 32.021 31.700 -0.057 0.000 0.858 93 F N 4.319 124.223 119.950 -0.077 0.000 2.126 93 F HA -0.123 4.404 4.527 0.001 0.000 0.299 93 F C -0.301 175.438 175.800 -0.102 0.000 1.096 93 F CA 1.629 59.573 58.000 -0.095 0.000 1.255 93 F CB -2.617 36.317 39.000 -0.111 0.000 0.997 93 F HN 0.424 8.724 8.300 -0.000 0.000 0.479 94 P HA -0.212 4.208 4.420 -0.000 0.000 0.220 94 P C 1.518 178.821 177.300 0.006 0.000 1.148 94 P CA 1.447 64.541 63.100 -0.009 0.000 0.803 94 P CB -0.033 31.622 31.700 -0.075 0.000 0.782 95 Q N 0.584 120.395 119.800 0.017 0.000 2.123 95 Q HA -0.067 4.274 4.340 0.001 0.000 0.199 95 Q C 2.063 178.079 176.000 0.027 0.000 0.966 95 Q CA 1.299 57.111 55.803 0.015 0.000 0.845 95 Q CB -1.324 27.419 28.738 0.009 0.000 0.907 95 Q HN -0.013 8.257 8.270 -0.000 0.000 0.439 96 V N 0.489 120.436 119.914 0.054 0.000 2.295 96 V HA -0.268 3.852 4.120 0.001 0.000 0.246 96 V C 2.257 178.364 176.094 0.022 0.000 1.049 96 V CA 1.937 64.269 62.300 0.052 0.000 1.024 96 V CB -0.562 31.324 31.823 0.104 0.000 0.648 96 V HN 0.392 8.582 8.190 -0.000 0.000 0.447 97 I N -0.462 120.115 120.570 0.012 0.000 2.179 97 I HA -0.274 3.896 4.170 0.001 0.000 0.242 97 I C 2.564 178.687 176.117 0.011 0.000 1.088 97 I CA 1.719 63.018 61.300 -0.002 0.000 1.357 97 I CB -0.462 37.528 38.000 -0.017 0.000 1.051 97 I HN 0.270 8.480 8.210 -0.000 0.000 0.409 98 K N 0.430 120.837 120.400 0.012 0.000 2.097 98 K HA -0.099 4.222 4.320 0.001 0.000 0.206 98 K C 2.143 178.752 176.600 0.014 0.000 1.049 98 K CA 1.515 57.811 56.287 0.015 0.000 0.933 98 K CB -0.180 32.327 32.500 0.013 0.000 0.717 98 K HN 0.164 8.414 8.250 -0.000 0.000 0.442 99 S N 1.019 116.728 115.700 0.013 0.000 2.507 99 S HA -0.050 4.421 4.470 0.001 0.000 0.235 99 S C 1.112 175.719 174.600 0.012 0.000 0.988 99 S CA 1.063 59.270 58.200 0.012 0.000 0.944 99 S CB 0.009 63.217 63.200 0.013 0.000 0.762 99 S HN 0.259 8.569 8.310 -0.000 0.000 0.526 100 K N 0.129 120.536 120.400 0.013 0.000 2.399 100 K HA 0.276 4.597 4.320 0.001 0.000 0.204 100 K C 1.036 177.644 176.600 0.013 0.000 1.023 100 K CA 0.303 56.597 56.287 0.013 0.000 1.127 100 K CB 0.654 33.163 32.500 0.015 0.000 0.856 100 K HN 0.300 8.550 8.250 -0.000 0.000 0.514 101 G N 1.009 109.817 108.800 0.012 0.000 2.143 101 G HA2 -0.230 3.730 3.960 0.001 0.000 0.249 101 G HA3 -0.230 3.730 3.960 0.001 0.000 0.249 101 G C 0.272 175.179 174.900 0.012 0.000 0.981 101 G CA -0.135 44.972 45.100 0.011 0.000 0.665 101 G HN 0.467 8.757 8.290 -0.000 0.000 0.528 102 G N -1.127 107.684 108.800 0.020 0.000 2.437 102 G HA2 0.695 4.656 3.960 0.001 0.000 0.319 102 G HA3 0.695 4.656 3.960 0.001 0.000 0.319 102 G C -0.123 174.808 174.900 0.051 0.000 1.158 102 G CA -0.100 45.017 45.100 0.029 0.000 0.899 102 G HN 0.875 9.165 8.290 -0.000 0.000 0.502 103 V N 0.774 120.741 119.914 0.089 0.000 2.509 103 V HA 0.280 4.401 4.120 0.001 0.000 0.284 103 V C 0.286 176.535 176.094 0.258 0.000 1.047 103 V CA -0.636 61.763 62.300 0.166 0.000 0.952 103 V CB 1.546 33.479 31.823 0.183 0.000 0.988 103 V HN 0.468 8.658 8.190 -0.000 0.000 0.469 104 V N 3.839 123.829 119.914 0.126 0.000 2.461 104 V HA 0.660 4.780 4.120 0.001 0.000 0.275 104 V C 0.794 176.657 176.094 -0.386 0.000 1.047 104 V CA 0.057 62.323 62.300 -0.058 0.000 0.955 104 V CB 1.143 32.906 31.823 -0.101 0.000 0.988 104 V HN 1.019 9.209 8.190 -0.000 0.000 0.471 105 G N 3.699 112.005 108.800 -0.822 0.000 2.453 105 G HA2 0.734 4.694 3.960 0.001 0.000 0.323 105 G HA3 0.734 4.694 3.960 0.001 0.000 0.323 105 G C -1.530 172.906 174.900 -0.772 0.000 1.198 105 G CA -0.557 43.562 45.100 -1.636 0.000 0.959 105 G HN 0.610 8.900 8.290 -0.000 0.000 0.482 106 I N 0.079 120.267 120.570 -0.636 0.000 2.533 106 I HA 0.433 4.603 4.170 0.001 0.000 0.290 106 I C -0.152 175.791 176.117 -0.289 0.000 1.056 106 I CA -1.114 59.896 61.300 -0.484 0.000 1.057 106 I CB 1.973 39.521 38.000 -0.753 0.000 1.240 106 I HN 0.381 8.591 8.210 -0.000 0.000 0.423 107 K N 6.276 126.577 120.400 -0.165 0.000 2.322 107 K HA 0.324 4.644 4.320 0.001 0.000 0.283 107 K C 0.274 176.871 176.600 -0.006 0.000 1.042 107 K CA 0.158 56.429 56.287 -0.025 0.000 0.958 107 K CB 1.012 33.553 32.500 0.069 0.000 0.984 107 K HN 0.637 8.887 8.250 -0.000 0.000 0.473 108 V N -0.057 119.907 119.914 0.082 0.000 3.502 108 V HA 0.097 4.218 4.120 0.001 0.000 0.288 108 V C 0.151 176.304 176.094 0.099 0.000 1.461 108 V CA 0.026 62.433 62.300 0.179 0.000 1.029 108 V CB -0.398 31.640 31.823 0.359 0.000 0.843 108 V HN 0.824 9.014 8.190 -0.000 0.000 0.438 109 D N 0.891 121.195 120.400 -0.161 0.000 2.377 109 D HA 0.243 4.884 4.640 0.001 0.000 0.245 109 D C 0.231 176.314 176.300 -0.362 0.000 1.196 109 D CA -0.325 53.264 54.000 -0.685 0.000 0.962 109 D CB 0.695 40.699 40.800 -1.326 0.000 1.127 109 D HN 0.250 8.620 8.370 -0.000 0.000 0.471 110 K N 0.504 120.661 120.400 -0.404 0.000 2.896 110 K HA 0.444 4.764 4.320 0.001 0.000 0.210 110 K C 0.064 176.551 176.600 -0.188 0.000 1.116 110 K CA -0.373 55.804 56.287 -0.184 0.000 1.050 110 K CB 0.658 33.100 32.500 -0.097 0.000 0.812 110 K HN 0.757 9.007 8.250 -0.000 0.000 0.462 111 G N 0.860 109.506 108.800 -0.257 0.000 2.781 111 G HA2 -0.237 3.724 3.960 0.001 0.000 0.683 111 G HA3 -0.237 3.724 3.960 0.001 0.000 0.683 111 G C -0.236 174.549 174.900 -0.192 0.000 1.390 111 G CA -0.540 44.443 45.100 -0.194 0.000 0.850 111 G HN 0.214 8.504 8.290 -0.000 0.000 0.557 112 V N -1.547 118.287 119.914 -0.133 0.000 2.834 112 V HA 0.857 4.977 4.120 0.001 0.000 0.301 112 V C 1.000 177.060 176.094 -0.057 0.000 1.066 112 V CA 0.087 62.331 62.300 -0.092 0.000 1.052 112 V CB 1.202 32.986 31.823 -0.065 0.000 1.021 112 V HN 2.218 10.408 8.190 -0.000 0.000 0.480 113 V N 0.166 120.061 119.914 -0.033 0.000 2.876 113 V HA 0.736 4.856 4.120 0.001 0.000 0.312 113 V C -2.660 173.432 176.094 -0.004 0.000 1.085 113 V CA -2.323 59.968 62.300 -0.016 0.000 0.945 113 V CB 1.756 33.575 31.823 -0.007 0.000 1.017 113 V HN 0.887 9.077 8.190 -0.000 0.000 0.428 114 P HA 0.282 4.702 4.420 -0.000 0.000 0.271 114 P C -0.731 176.574 177.300 0.010 0.000 1.216 114 P CA -0.042 63.060 63.100 0.004 0.000 0.771 114 P CB 1.067 32.769 31.700 0.003 0.000 0.864 115 L N 2.789 124.020 121.223 0.013 0.000 2.259 115 L HA 0.368 4.709 4.340 0.001 0.000 0.288 115 L C 1.075 177.954 176.870 0.014 0.000 1.051 115 L CA -0.812 54.038 54.840 0.016 0.000 0.824 115 L CB 0.763 42.834 42.059 0.018 0.000 1.206 115 L HN 0.424 8.654 8.230 -0.000 0.000 0.429 116 A N 2.670 125.498 122.820 0.013 0.000 2.531 116 A HA 0.415 4.736 4.320 0.001 0.000 0.236 116 A C 1.316 178.907 177.584 0.012 0.000 1.062 116 A CA 0.694 52.738 52.037 0.012 0.000 0.760 116 A CB 0.008 19.015 19.000 0.011 0.000 0.995 116 A HN 1.131 9.281 8.150 -0.000 0.000 0.501 117 G N 0.842 109.649 108.800 0.011 0.000 2.159 117 G HA2 -0.112 3.848 3.960 0.001 0.000 0.256 117 G HA3 -0.112 3.848 3.960 0.001 0.000 0.256 117 G C 0.476 175.383 174.900 0.013 0.000 0.977 117 G CA 1.307 46.413 45.100 0.010 0.000 0.652 117 G HN 2.339 10.629 8.290 -0.000 0.000 0.531 118 T N -2.784 111.781 114.554 0.017 0.000 2.926 118 T HA 0.562 4.913 4.350 0.001 0.000 0.289 118 T C 0.075 174.793 174.700 0.029 0.000 1.054 118 T CA -0.086 62.028 62.100 0.024 0.000 1.015 118 T CB 1.869 70.751 68.868 0.023 0.000 1.167 118 T HN 0.302 8.542 8.240 -0.000 0.000 0.526 119 N N 0.199 118.924 118.700 0.041 0.000 2.968 119 N HA 0.332 5.072 4.740 0.001 0.000 0.271 119 N C 1.193 176.721 175.510 0.029 0.000 1.174 119 N CA 0.279 53.355 53.050 0.044 0.000 1.096 119 N CB -0.858 37.672 38.487 0.071 0.000 1.403 119 N HN 1.168 9.548 8.380 -0.000 0.000 0.522 120 G N 1.473 110.285 108.800 0.021 0.000 2.179 120 G HA2 -0.284 3.677 3.960 0.001 0.000 0.257 120 G HA3 -0.284 3.677 3.960 0.001 0.000 0.257 120 G C -0.178 174.729 174.900 0.012 0.000 1.010 120 G CA 0.162 45.271 45.100 0.014 0.000 0.736 120 G HN 0.620 8.910 8.290 -0.000 0.000 0.513 121 E N -0.033 120.176 120.200 0.015 0.000 2.314 121 E HA 0.638 4.989 4.350 0.001 0.000 0.262 121 E C 0.714 177.320 176.600 0.011 0.000 1.093 121 E CA 0.181 56.588 56.400 0.013 0.000 0.908 121 E CB 1.057 30.767 29.700 0.017 0.000 1.091 121 E HN 0.470 8.830 8.360 -0.000 0.000 0.425 122 T N -2.113 112.447 114.554 0.010 0.000 2.838 122 T HA 0.544 4.895 4.350 0.001 0.000 0.292 122 T C -0.296 174.414 174.700 0.018 0.000 1.113 122 T CA -0.780 61.325 62.100 0.009 0.000 1.008 122 T CB 1.976 70.843 68.868 -0.003 0.000 1.259 122 T HN 0.386 8.626 8.240 -0.000 0.000 0.520 123 T N -0.607 113.961 114.554 0.023 0.000 2.742 123 T HA 0.723 5.073 4.350 0.001 0.000 0.282 123 T C -1.139 173.584 174.700 0.039 0.000 1.025 123 T CA -0.428 61.702 62.100 0.050 0.000 1.020 123 T CB 1.705 70.612 68.868 0.064 0.000 1.317 123 T HN 0.872 9.112 8.240 -0.000 0.000 0.538 124 T N 2.023 116.632 114.554 0.092 0.000 2.863 124 T HA 0.554 4.904 4.350 0.001 0.000 0.285 124 T C -0.686 174.050 174.700 0.061 0.000 1.009 124 T CA -0.726 61.364 62.100 -0.017 0.000 0.989 124 T CB 1.563 70.338 68.868 -0.155 0.000 1.004 124 T HN 0.713 8.953 8.240 -0.000 0.000 0.455 125 Q N 0.807 120.541 119.800 -0.110 0.000 2.195 125 Q HA 0.773 5.113 4.340 0.001 0.000 0.250 125 Q C 0.535 176.436 176.000 -0.165 0.000 0.988 125 Q CA -0.991 54.809 55.803 -0.004 0.000 0.911 125 Q CB 1.378 30.113 28.738 -0.005 0.000 1.258 125 Q HN 0.860 9.130 8.270 -0.000 0.000 0.475 126 G N -0.340 108.526 108.800 0.110 0.000 2.507 126 G HA2 -0.155 3.805 3.960 0.001 0.000 0.205 126 G HA3 -0.155 3.805 3.960 0.001 0.000 0.205 126 G C 0.386 175.547 174.900 0.434 0.000 0.996 126 G CA 0.012 45.195 45.100 0.139 0.000 0.776 126 G HN 0.489 8.779 8.290 -0.000 0.000 0.532 127 L N 0.679 122.164 121.223 0.436 0.000 2.240 127 L HA 0.177 4.517 4.340 0.001 0.000 0.211 127 L C 0.525 177.502 176.870 0.178 0.000 1.106 127 L CA 0.318 55.334 54.840 0.293 0.000 0.793 127 L CB -0.329 41.845 42.059 0.191 0.000 0.927 127 L HN 0.047 8.277 8.230 -0.000 0.000 0.446 128 D N 1.477 121.963 120.400 0.143 0.000 2.451 128 D HA 0.185 4.826 4.640 0.001 0.000 0.254 128 D C 1.260 177.608 176.300 0.079 0.000 1.204 128 D CA 1.189 55.243 54.000 0.091 0.000 0.896 128 D CB 0.651 41.492 40.800 0.068 0.000 1.136 128 D HN 0.307 8.677 8.370 -0.000 0.000 0.499 129 G N 2.176 111.013 108.800 0.060 0.000 2.187 129 G HA2 -0.344 3.616 3.960 0.001 0.000 0.261 129 G HA3 -0.344 3.616 3.960 0.001 0.000 0.261 129 G C 0.986 175.921 174.900 0.059 0.000 1.000 129 G CA 0.534 45.660 45.100 0.043 0.000 0.718 129 G HN 0.517 8.807 8.290 -0.000 0.000 0.519 130 L N 0.899 122.182 121.223 0.100 0.000 2.141 130 L HA 0.151 4.491 4.340 0.001 0.000 0.209 130 L C 2.698 179.630 176.870 0.103 0.000 1.094 130 L CA 2.951 57.876 54.840 0.141 0.000 0.763 130 L CB -0.631 41.551 42.059 0.204 0.000 0.908 130 L HN 0.380 8.610 8.230 -0.000 0.000 0.437 131 S N -0.699 115.041 115.700 0.067 0.000 2.356 131 S HA -0.198 4.273 4.470 0.001 0.000 0.223 131 S C 1.843 176.460 174.600 0.028 0.000 1.032 131 S CA 1.512 59.739 58.200 0.046 0.000 1.005 131 S CB -0.210 63.008 63.200 0.030 0.000 0.867 131 S HN 0.593 8.903 8.310 -0.000 0.000 0.449 132 E N 1.075 121.282 120.200 0.010 0.000 2.110 132 E HA -0.038 4.312 4.350 0.001 0.000 0.193 132 E C 2.336 178.901 176.600 -0.059 0.000 0.988 132 E CA 1.018 57.407 56.400 -0.018 0.000 0.804 132 E CB -0.212 29.474 29.700 -0.024 0.000 0.745 132 E HN 0.487 8.847 8.360 -0.000 0.000 0.458 133 R N -0.244 120.218 120.500 -0.064 0.000 2.073 133 R HA -0.070 4.270 4.340 0.001 0.000 0.234 133 R C 2.385 178.578 176.300 -0.178 0.000 1.134 133 R CA 1.454 57.430 56.100 -0.206 0.000 0.952 133 R CB -0.707 29.549 30.300 -0.073 0.000 0.850 133 R HN 0.250 8.520 8.270 -0.000 0.000 0.433 134 C N 0.195 119.545 119.300 0.083 0.000 2.425 134 C HA -0.059 4.402 4.460 0.001 0.000 0.277 134 C C 2.933 177.990 174.990 0.111 0.000 1.280 134 C CA 0.752 59.885 59.018 0.193 0.000 1.744 134 C CB -0.943 26.889 27.740 0.154 0.000 1.989 134 C HN 0.599 8.829 8.230 -0.000 0.000 0.491 135 A N -0.221 122.623 122.820 0.040 0.000 1.930 135 A HA -0.228 4.093 4.320 0.001 0.000 0.217 135 A C 2.071 179.667 177.584 0.019 0.000 1.175 135 A CA 2.055 54.108 52.037 0.028 0.000 0.627 135 A CB -0.576 18.430 19.000 0.009 0.000 0.815 135 A HN 0.581 8.731 8.150 -0.000 0.000 0.443 136 Q N -1.309 118.468 119.800 -0.038 0.000 2.083 136 Q HA -0.121 4.219 4.340 0.001 0.000 0.198 136 Q C 1.705 177.732 176.000 0.045 0.000 0.969 136 Q CA 1.759 57.535 55.803 -0.045 0.000 0.838 136 Q CB -0.533 28.115 28.738 -0.150 0.000 0.900 136 Q HN 0.668 8.938 8.270 -0.000 0.000 0.436 137 Y N 0.415 120.759 120.300 0.072 0.000 2.181 137 Y HA -0.150 4.400 4.550 0.001 0.000 0.288 137 Y C 2.208 178.108 175.900 0.001 0.000 1.146 137 Y CA 1.540 59.660 58.100 0.033 0.000 1.164 137 Y CB -0.636 37.836 38.460 0.020 0.000 0.982 137 Y HN 0.116 8.396 8.280 -0.000 0.000 0.515 138 K N 1.111 121.618 120.400 0.179 0.000 2.032 138 K HA -0.218 4.103 4.320 0.001 0.000 0.209 138 K C 2.122 178.765 176.600 0.072 0.000 1.048 138 K CA 1.897 58.243 56.287 0.099 0.000 0.927 138 K CB -0.320 32.227 32.500 0.079 0.000 0.712 138 K HN 0.224 8.474 8.250 -0.000 0.000 0.441 139 K N -0.021 120.422 120.400 0.071 0.000 2.097 139 K HA -0.133 4.188 4.320 0.001 0.000 0.206 139 K C 0.326 176.962 176.600 0.060 0.000 1.049 139 K CA 1.826 58.146 56.287 0.055 0.000 0.933 139 K CB -0.040 32.488 32.500 0.047 0.000 0.717 139 K HN 0.159 8.409 8.250 -0.000 0.000 0.442 140 D N -0.769 119.681 120.400 0.084 0.000 2.325 140 D HA 0.107 4.748 4.640 0.001 0.000 0.234 140 D C 0.730 177.023 176.300 -0.012 0.000 1.122 140 D CA 0.809 54.846 54.000 0.062 0.000 0.850 140 D CB 0.793 41.675 40.800 0.136 0.000 0.921 140 D HN 0.546 8.916 8.370 -0.000 0.000 0.513 141 G N 0.123 108.924 108.800 0.002 0.000 2.201 141 G HA2 -0.172 3.788 3.960 0.001 0.000 0.212 141 G HA3 -0.172 3.788 3.960 0.001 0.000 0.212 141 G C 0.542 175.419 174.900 -0.038 0.000 0.994 141 G CA -0.053 45.034 45.100 -0.023 0.000 0.644 141 G HN 0.576 8.866 8.290 -0.000 0.000 0.508 142 A N 0.202 122.994 122.820 -0.045 0.000 2.354 142 A HA 0.643 4.963 4.320 0.001 0.000 0.269 142 A C 0.727 178.302 177.584 -0.015 0.000 1.109 142 A CA 0.580 52.562 52.037 -0.091 0.000 0.800 142 A CB 0.505 19.404 19.000 -0.168 0.000 1.045 142 A HN 0.128 8.278 8.150 -0.000 0.000 0.489 143 D N 0.119 120.527 120.400 0.013 0.000 2.479 143 D HA 0.206 4.847 4.640 0.001 0.000 0.216 143 D C -0.360 176.066 176.300 0.210 0.000 1.110 143 D CA 0.812 54.881 54.000 0.115 0.000 0.841 143 D CB 0.431 41.319 40.800 0.147 0.000 1.040 143 D HN 0.543 8.913 8.370 -0.000 0.000 0.505 144 F N 0.168 120.117 119.950 -0.003 0.000 2.643 144 F HA 0.805 5.333 4.527 0.001 0.000 0.314 144 F C -1.324 174.488 175.800 0.020 0.000 1.096 144 F CA -1.577 56.428 58.000 0.007 0.000 0.953 144 F CB 1.203 40.201 39.000 -0.003 0.000 1.345 144 F HN -0.186 8.114 8.300 -0.000 0.000 0.468 145 A N 1.586 124.520 122.820 0.190 0.000 2.485 145 A HA 0.820 5.141 4.320 0.001 0.000 0.292 145 A C -1.619 176.157 177.584 0.320 0.000 1.147 145 A CA -0.995 51.117 52.037 0.126 0.000 0.750 145 A CB 2.097 21.241 19.000 0.240 0.000 1.331 145 A HN 0.890 9.040 8.150 -0.000 0.000 0.419 146 K N 0.474 121.021 120.400 0.244 0.000 2.422 146 K HA 0.455 4.776 4.320 0.001 0.000 0.251 146 K C -2.208 174.457 176.600 0.109 0.000 0.933 146 K CA -0.444 55.976 56.287 0.222 0.000 0.798 146 K CB 1.932 34.511 32.500 0.132 0.000 1.238 146 K HN 0.759 9.009 8.250 -0.000 0.000 0.428 147 W N 5.502 126.616 121.300 -0.310 0.000 3.132 147 W HA 0.354 5.014 4.660 0.001 0.000 0.337 147 W C -1.784 174.547 176.519 -0.313 0.000 1.082 147 W CA -0.587 56.428 57.345 -0.550 0.000 1.242 147 W CB 1.309 29.852 29.460 -1.528 0.000 1.354 147 W HN 0.669 8.849 8.180 -0.000 0.000 0.461 148 R N 5.183 125.557 120.500 -0.210 0.000 2.295 148 R HA 0.634 4.974 4.340 0.001 0.000 0.324 148 R C -1.200 175.050 176.300 -0.082 0.000 0.968 148 R CA -0.013 56.039 56.100 -0.079 0.000 0.837 148 R CB 0.951 31.197 30.300 -0.090 0.000 1.133 148 R HN 0.442 8.712 8.270 -0.000 0.000 0.450 149 C N 3.873 123.209 119.300 0.060 0.000 2.391 149 C HA 0.624 5.085 4.460 0.001 0.000 0.339 149 C C -0.538 174.465 174.990 0.022 0.000 1.205 149 C CA -0.539 58.518 59.018 0.065 0.000 1.937 149 C CB 1.555 29.371 27.740 0.127 0.000 2.341 149 C HN 0.566 8.796 8.230 -0.000 0.000 0.516 150 V N 4.523 124.442 119.914 0.008 0.000 2.531 150 V HA 0.566 4.687 4.120 0.001 0.000 0.301 150 V C -0.424 175.673 176.094 0.005 0.000 1.034 150 V CA -0.287 62.015 62.300 0.003 0.000 0.865 150 V CB 1.388 33.205 31.823 -0.009 0.000 0.995 150 V HN 0.687 8.877 8.190 -0.000 0.000 0.424 151 L N 4.859 126.083 121.223 0.002 0.000 2.341 151 L HA 0.747 5.088 4.340 0.001 0.000 0.267 151 L C -0.421 176.441 176.870 -0.012 0.000 1.009 151 L CA -0.789 54.049 54.840 -0.004 0.000 0.819 151 L CB 2.400 44.454 42.059 -0.007 0.000 1.323 151 L HN 0.719 8.949 8.230 -0.000 0.000 0.425 152 K N 1.529 121.918 120.400 -0.018 0.000 2.427 152 K HA 0.655 4.975 4.320 0.001 0.000 0.252 152 K C -1.261 175.303 176.600 -0.060 0.000 0.931 152 K CA -0.675 55.594 56.287 -0.031 0.000 0.793 152 K CB 2.324 34.817 32.500 -0.013 0.000 1.211 152 K HN 0.411 8.661 8.250 -0.000 0.000 0.426 153 I N 2.474 122.973 120.570 -0.119 0.000 2.371 153 I HA 0.405 4.575 4.170 0.001 0.000 0.290 153 I C 0.405 176.449 176.117 -0.121 0.000 1.028 153 I CA 0.030 61.214 61.300 -0.192 0.000 1.345 153 I CB 1.240 38.932 38.000 -0.514 0.000 1.407 153 I HN 0.986 9.196 8.210 -0.000 0.000 0.501 154 G N 3.847 112.595 108.800 -0.087 0.000 2.706 154 G HA2 0.204 4.165 3.960 0.001 0.000 0.307 154 G HA3 0.204 4.165 3.960 0.001 0.000 0.307 154 G C 0.070 174.905 174.900 -0.108 0.000 1.307 154 G CA -0.236 44.821 45.100 -0.071 0.000 0.790 154 G HN 0.448 8.738 8.290 -0.000 0.000 0.503 155 E N -0.617 119.469 120.200 -0.189 0.000 2.118 155 E HA -0.118 4.232 4.350 0.001 0.000 0.195 155 E C 1.122 177.443 176.600 -0.466 0.000 0.992 155 E CA 1.811 57.983 56.400 -0.381 0.000 0.804 155 E CB 0.009 29.365 29.700 -0.574 0.000 0.741 155 E HN 0.456 8.816 8.360 -0.000 0.000 0.458 156 H N -1.532 117.539 119.070 0.002 0.000 2.885 156 H HA 0.273 4.830 4.556 0.001 0.000 0.254 156 H C -0.325 175.005 175.328 0.004 0.000 1.185 156 H CA 0.614 56.664 56.048 0.004 0.000 1.029 156 H CB 0.007 29.773 29.762 0.006 0.000 1.743 156 H HN 0.122 8.402 8.280 -0.000 0.000 0.632 157 T N -0.752 113.837 114.554 0.057 0.000 2.907 157 T HA 0.461 4.812 4.350 0.001 0.000 0.292 157 T C -3.118 171.585 174.700 0.004 0.000 1.043 157 T CA -2.302 59.818 62.100 0.033 0.000 1.003 157 T CB 3.316 72.193 68.868 0.015 0.000 1.084 157 T HN -0.164 8.076 8.240 -0.000 0.000 0.483 158 P HA 0.238 4.658 4.420 -0.000 0.000 0.280 158 P C 0.103 177.423 177.300 0.034 0.000 1.244 158 P CA -0.270 62.839 63.100 0.015 0.000 0.784 158 P CB 0.895 32.596 31.700 0.002 0.000 0.913 159 S N 1.919 117.641 115.700 0.036 0.000 2.624 159 S HA 0.381 4.851 4.470 0.001 0.000 0.263 159 S C 1.624 176.240 174.600 0.027 0.000 1.287 159 S CA -0.053 58.170 58.200 0.039 0.000 0.990 159 S CB 0.580 63.802 63.200 0.037 0.000 0.950 159 S HN 0.506 8.816 8.310 -0.000 0.000 0.561 160 A N 0.895 123.730 122.820 0.025 0.000 1.883 160 A HA -0.081 4.239 4.320 0.001 0.000 0.217 160 A C 2.070 179.663 177.584 0.015 0.000 1.186 160 A CA 1.799 53.847 52.037 0.019 0.000 0.624 160 A CB -1.190 17.821 19.000 0.018 0.000 0.822 160 A HN 0.989 9.139 8.150 -0.000 0.000 0.444 161 L N -0.149 121.083 121.223 0.015 0.000 1.989 161 L HA -0.121 4.219 4.340 0.001 0.000 0.211 161 L C 2.666 179.545 176.870 0.015 0.000 1.071 161 L CA 2.521 57.370 54.840 0.015 0.000 0.749 161 L CB -0.974 41.094 42.059 0.015 0.000 0.890 161 L HN 0.353 8.583 8.230 -0.000 0.000 0.431 162 A N -0.290 122.540 122.820 0.017 0.000 1.908 162 A HA -0.195 4.125 4.320 0.001 0.000 0.218 162 A C 2.288 179.878 177.584 0.011 0.000 1.181 162 A CA 2.220 54.267 52.037 0.016 0.000 0.627 162 A CB -0.931 18.078 19.000 0.016 0.000 0.818 162 A HN 0.564 8.714 8.150 -0.000 0.000 0.445 163 I N -0.923 119.651 120.570 0.006 0.000 2.202 163 I HA -0.277 3.893 4.170 0.001 0.000 0.242 163 I C 2.755 178.868 176.117 -0.007 0.000 1.091 163 I CA 1.876 63.174 61.300 -0.004 0.000 1.368 163 I CB -0.319 37.677 38.000 -0.006 0.000 1.058 163 I HN 0.516 8.726 8.210 -0.000 0.000 0.410 164 M N 0.847 120.446 119.600 -0.001 0.000 2.086 164 M HA -0.250 4.230 4.480 0.001 0.000 0.261 164 M C 2.241 178.541 176.300 -0.000 0.000 1.067 164 M CA 2.107 57.406 55.300 -0.001 0.000 1.116 164 M CB -0.158 32.446 32.600 0.007 0.000 1.348 164 M HN 0.109 8.399 8.290 -0.000 0.000 0.407 165 E N 0.975 121.180 120.200 0.009 0.000 2.047 165 E HA -0.184 4.167 4.350 0.001 0.000 0.191 165 E C 1.539 178.147 176.600 0.014 0.000 0.987 165 E CA 2.021 58.431 56.400 0.016 0.000 0.799 165 E CB -0.502 29.214 29.700 0.027 0.000 0.752 165 E HN 0.587 8.947 8.360 -0.000 0.000 0.449 166 N N 0.083 118.793 118.700 0.017 0.000 2.188 166 N HA -0.117 4.624 4.740 0.001 0.000 0.184 166 N C 1.666 177.163 175.510 -0.021 0.000 1.018 166 N CA 1.304 54.371 53.050 0.028 0.000 0.858 166 N CB -0.214 38.292 38.487 0.032 0.000 0.989 166 N HN 0.318 8.698 8.380 -0.000 0.000 0.426 167 A N 1.350 124.142 122.820 -0.046 0.000 1.902 167 A HA -0.166 4.154 4.320 0.001 0.000 0.217 167 A C 2.116 179.614 177.584 -0.143 0.000 1.181 167 A CA 1.595 53.575 52.037 -0.095 0.000 0.623 167 A CB -0.718 18.235 19.000 -0.078 0.000 0.818 167 A HN 0.307 8.457 8.150 -0.000 0.000 0.443 168 N N -0.512 118.126 118.700 -0.104 0.000 2.142 168 N HA -0.114 4.626 4.740 0.001 0.000 0.186 168 N C 1.517 176.886 175.510 -0.236 0.000 1.023 168 N CA 1.468 54.430 53.050 -0.146 0.000 0.852 168 N CB -0.258 38.220 38.487 -0.015 0.000 0.998 168 N HN 0.134 8.514 8.380 -0.000 0.000 0.424 169 V N 0.353 120.185 119.914 -0.137 0.000 2.515 169 V HA -0.079 4.041 4.120 0.001 0.000 0.250 169 V C 2.025 177.888 176.094 -0.384 0.000 1.058 169 V CA 1.187 63.391 62.300 -0.161 0.000 1.064 169 V CB -0.334 31.520 31.823 0.051 0.000 0.675 169 V HN 0.358 8.548 8.190 -0.000 0.000 0.461 170 L N -0.170 120.864 121.223 -0.316 0.000 2.093 170 L HA -0.104 4.236 4.340 0.001 0.000 0.208 170 L C 2.696 179.381 176.870 -0.309 0.000 1.085 170 L CA 1.563 56.194 54.840 -0.348 0.000 0.755 170 L CB -0.709 41.238 42.059 -0.187 0.000 0.904 170 L HN 0.417 8.647 8.230 -0.000 0.000 0.435 171 A N -0.483 122.094 122.820 -0.405 0.000 1.930 171 A HA -0.155 4.166 4.320 0.001 0.000 0.217 171 A C 2.360 179.628 177.584 -0.527 0.000 1.175 171 A CA 1.062 52.784 52.037 -0.525 0.000 0.627 171 A CB -0.316 18.181 19.000 -0.837 0.000 0.815 171 A HN 0.218 8.368 8.150 -0.000 0.000 0.443 172 R N -1.299 118.896 120.500 -0.508 0.000 2.066 172 R HA -0.146 4.195 4.340 0.001 0.000 0.232 172 R C 2.114 178.269 176.300 -0.242 0.000 1.131 172 R CA 1.799 57.741 56.100 -0.263 0.000 0.955 172 R CB -1.213 28.984 30.300 -0.172 0.000 0.851 172 R HN 0.778 9.048 8.270 -0.000 0.000 0.432 173 Y N 1.113 121.091 120.300 -0.537 0.000 2.128 173 Y HA -0.203 4.348 4.550 0.001 0.000 0.284 173 Y C 2.138 177.862 175.900 -0.294 0.000 1.154 173 Y CA 1.542 59.302 58.100 -0.568 0.000 1.149 173 Y CB -0.551 37.190 38.460 -1.199 0.000 0.976 173 Y HN 0.047 8.327 8.280 -0.000 0.000 0.505 174 A N -0.431 121.962 122.820 -0.711 0.000 1.898 174 A HA -0.171 4.149 4.320 0.001 0.000 0.216 174 A C 2.531 179.910 177.584 -0.342 0.000 1.181 174 A CA 1.853 53.494 52.037 -0.660 0.000 0.620 174 A CB -1.448 17.326 19.000 -0.376 0.000 0.819 174 A HN 0.566 8.716 8.150 -0.000 0.000 0.442 175 S N -0.310 115.263 115.700 -0.212 0.000 2.356 175 S HA -0.130 4.340 4.470 0.001 0.000 0.223 175 S C 1.908 176.464 174.600 -0.074 0.000 1.032 175 S CA 1.514 59.666 58.200 -0.080 0.000 1.005 175 S CB -0.515 62.686 63.200 0.002 0.000 0.867 175 S HN 0.486 8.796 8.310 -0.000 0.000 0.449 176 I N 0.878 121.391 120.570 -0.095 0.000 2.226 176 I HA -0.201 3.970 4.170 0.001 0.000 0.245 176 I C 2.576 178.660 176.117 -0.055 0.000 1.100 176 I CA 0.821 62.093 61.300 -0.048 0.000 1.374 176 I CB -0.545 37.444 38.000 -0.017 0.000 1.057 176 I HN 0.421 8.631 8.210 -0.000 0.000 0.413 177 C N 0.443 119.660 119.300 -0.139 0.000 2.413 177 C HA -0.188 4.273 4.460 0.001 0.000 0.277 177 C C 2.835 177.794 174.990 -0.053 0.000 1.228 177 C CA 0.920 59.873 59.018 -0.108 0.000 1.731 177 C CB -1.112 26.475 27.740 -0.254 0.000 2.042 177 C HN 0.517 8.747 8.230 -0.000 0.000 0.468 178 Q N -0.148 119.612 119.800 -0.066 0.000 2.226 178 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 178 Q C 2.182 178.181 176.000 -0.002 0.000 0.975 178 Q CA 0.985 56.781 55.803 -0.012 0.000 0.866 178 Q CB -0.262 28.483 28.738 0.012 0.000 0.915 178 Q HN 0.681 8.951 8.270 -0.000 0.000 0.440 179 Q N 0.302 120.098 119.800 -0.007 0.000 2.369 179 Q HA -0.053 4.288 4.340 0.001 0.000 0.206 179 Q C 0.309 176.313 176.000 0.008 0.000 0.963 179 Q CA 0.942 56.746 55.803 0.001 0.000 0.894 179 Q CB 0.087 28.827 28.738 0.004 0.000 0.965 179 Q HN 0.413 8.683 8.270 -0.000 0.000 0.475 180 N N -1.071 117.638 118.700 0.015 0.000 2.275 180 N HA 0.231 4.971 4.740 0.001 0.000 0.236 180 N C 0.294 175.825 175.510 0.035 0.000 1.154 180 N CA 0.462 53.529 53.050 0.027 0.000 0.866 180 N CB 1.277 39.789 38.487 0.041 0.000 1.093 180 N HN 0.199 8.579 8.380 -0.000 0.000 0.515 181 G N 0.527 109.344 108.800 0.029 0.000 2.153 181 G HA2 -0.241 3.720 3.960 0.001 0.000 0.252 181 G HA3 -0.241 3.720 3.960 0.001 0.000 0.252 181 G C -0.188 174.745 174.900 0.055 0.000 0.994 181 G CA -0.072 45.051 45.100 0.038 0.000 0.698 181 G HN 0.241 8.531 8.290 -0.000 0.000 0.521 182 I N 0.898 121.500 120.570 0.054 0.000 2.354 182 I HA 0.360 4.530 4.170 0.001 0.000 0.292 182 I C 0.752 176.907 176.117 0.064 0.000 0.989 182 I CA -1.078 60.265 61.300 0.071 0.000 1.188 182 I CB 1.590 39.633 38.000 0.073 0.000 1.342 182 I HN -0.148 8.062 8.210 -0.000 0.000 0.457 183 V N 9.268 129.249 119.914 0.112 0.000 2.427 183 V HA 0.189 4.310 4.120 0.001 0.000 0.268 183 V C -1.899 174.256 176.094 0.100 0.000 1.046 183 V CA -1.163 61.192 62.300 0.092 0.000 0.970 183 V CB 1.032 32.909 31.823 0.089 0.000 1.001 183 V HN 0.575 8.765 8.190 -0.000 0.000 0.476 184 P HA 0.370 4.790 4.420 -0.000 0.000 0.292 184 P C -0.662 176.699 177.300 0.101 0.000 1.287 184 P CA -0.314 62.764 63.100 -0.036 0.000 0.800 184 P CB 1.310 32.747 31.700 -0.438 0.000 0.945 185 I N 3.762 124.496 120.570 0.273 0.000 2.304 185 I HA 0.150 4.320 4.170 0.001 0.000 0.291 185 I C 0.313 176.584 176.117 0.256 0.000 1.018 185 I CA -0.944 60.469 61.300 0.190 0.000 1.260 185 I CB 1.525 39.640 38.000 0.193 0.000 1.390 185 I HN 0.021 8.231 8.210 -0.000 0.000 0.475 186 V N 6.881 126.877 119.914 0.136 0.000 2.372 186 V HA 0.092 4.213 4.120 0.001 0.000 0.261 186 V C 0.439 176.561 176.094 0.046 0.000 1.055 186 V CA -0.256 62.108 62.300 0.107 0.000 0.930 186 V CB 0.806 32.610 31.823 -0.032 0.000 1.031 186 V HN 0.710 8.900 8.190 -0.000 0.000 0.479 187 E N 8.663 128.908 120.200 0.076 0.000 2.173 187 E HA 0.339 4.690 4.350 0.001 0.000 0.249 187 E C -2.519 174.109 176.600 0.047 0.000 0.923 187 E CA -1.938 54.493 56.400 0.052 0.000 0.754 187 E CB 1.525 31.264 29.700 0.065 0.000 1.177 187 E HN 0.449 8.809 8.360 -0.000 0.000 0.430 188 P HA 0.172 4.592 4.420 -0.000 0.000 0.219 188 P C -0.840 176.469 177.300 0.016 0.000 1.847 188 P CA -0.322 62.784 63.100 0.009 0.000 1.110 188 P CB 0.237 31.921 31.700 -0.026 0.000 1.839 189 E N 3.427 123.643 120.200 0.026 0.000 2.290 189 E HA 0.206 4.557 4.350 0.001 0.000 0.277 189 E C -0.637 175.973 176.600 0.017 0.000 1.035 189 E CA -0.497 55.920 56.400 0.030 0.000 0.873 189 E CB 0.450 30.172 29.700 0.036 0.000 1.029 189 E HN 0.362 8.722 8.360 -0.000 0.000 0.419 190 I N 6.468 127.047 120.570 0.014 0.000 2.312 190 I HA 0.154 4.325 4.170 0.001 0.000 0.290 190 I C 0.118 176.235 176.117 0.000 0.000 1.008 190 I CA -0.661 60.636 61.300 -0.004 0.000 1.226 190 I CB 0.825 38.814 38.000 -0.018 0.000 1.371 190 I HN 0.485 8.695 8.210 -0.000 0.000 0.468 191 L N 8.497 129.721 121.223 0.001 0.000 2.483 191 L HA 0.124 4.464 4.340 0.001 0.000 0.275 191 L C -1.099 175.781 176.870 0.016 0.000 1.220 191 L CA -0.932 53.918 54.840 0.017 0.000 0.833 191 L CB 0.210 42.284 42.059 0.026 0.000 1.102 191 L HN 0.465 8.695 8.230 -0.000 0.000 0.490 192 P HA 0.033 4.453 4.420 -0.000 0.000 0.255 192 P C -0.385 176.911 177.300 -0.006 0.000 1.248 192 P CA -0.095 62.959 63.100 -0.077 0.000 0.807 192 P CB 0.179 31.644 31.700 -0.393 0.000 1.150 193 D N 1.284 121.743 120.400 0.099 0.000 2.525 193 D HA 0.336 4.977 4.640 0.001 0.000 0.235 193 D C 1.423 177.806 176.300 0.139 0.000 1.137 193 D CA 1.719 55.790 54.000 0.118 0.000 0.868 193 D CB 0.011 40.862 40.800 0.086 0.000 1.180 193 D HN 0.277 8.647 8.370 -0.000 0.000 0.465 194 G N 1.654 110.481 108.800 0.046 0.000 2.371 194 G HA2 -0.014 3.946 3.960 0.001 0.000 0.663 194 G HA3 -0.014 3.946 3.960 0.001 0.000 0.663 194 G C -0.465 174.363 174.900 -0.121 0.000 1.311 194 G CA -0.090 45.045 45.100 0.058 0.000 0.985 194 G HN 0.533 8.823 8.290 -0.000 0.000 0.566 195 D N -0.786 119.564 120.400 -0.082 0.000 2.462 195 D HA 0.053 4.694 4.640 0.001 0.000 0.221 195 D C 0.805 177.006 176.300 -0.165 0.000 1.173 195 D CA 0.109 54.009 54.000 -0.168 0.000 0.831 195 D CB -0.519 40.229 40.800 -0.086 0.000 1.001 195 D HN 0.833 9.203 8.370 -0.000 0.000 0.499 196 H N 0.765 119.803 119.070 -0.053 0.000 2.836 196 H HA 0.171 4.728 4.556 0.001 0.000 0.368 196 H C 0.103 175.418 175.328 -0.022 0.000 1.164 196 H CA 0.039 56.066 56.048 -0.035 0.000 1.425 196 H CB 0.566 30.304 29.762 -0.040 0.000 1.414 196 H HN 0.080 8.360 8.280 -0.000 0.000 0.614 197 D N 1.119 121.556 120.400 0.061 0.000 2.506 197 D HA -0.021 4.620 4.640 0.001 0.000 0.272 197 D C 1.361 177.672 176.300 0.018 0.000 1.214 197 D CA -0.876 53.157 54.000 0.056 0.000 1.067 197 D CB 0.933 41.824 40.800 0.151 0.000 1.117 197 D HN 0.455 8.825 8.370 -0.000 0.000 0.578 198 L N -0.101 121.046 121.223 -0.126 0.000 2.083 198 L HA -0.102 4.239 4.340 0.001 0.000 0.209 198 L C 2.267 179.104 176.870 -0.056 0.000 1.083 198 L CA 1.888 56.565 54.840 -0.271 0.000 0.752 198 L CB -0.703 40.926 42.059 -0.717 0.000 0.899 198 L HN 0.568 8.798 8.230 -0.000 0.000 0.433 199 K N -0.929 119.488 120.400 0.028 0.000 2.097 199 K HA -0.242 4.078 4.320 0.001 0.000 0.205 199 K C 2.349 179.003 176.600 0.090 0.000 1.050 199 K CA 1.242 57.568 56.287 0.065 0.000 0.938 199 K CB -0.049 32.495 32.500 0.072 0.000 0.718 199 K HN 0.150 8.400 8.250 -0.000 0.000 0.442 200 R N 0.729 121.283 120.500 0.090 0.000 2.073 200 R HA -0.122 4.219 4.340 0.001 0.000 0.234 200 R C 2.330 178.691 176.300 0.101 0.000 1.134 200 R CA 1.875 58.031 56.100 0.093 0.000 0.952 200 R CB -1.223 29.136 30.300 0.099 0.000 0.850 200 R HN 0.390 8.660 8.270 -0.000 0.000 0.433 201 C N 0.387 119.752 119.300 0.108 0.000 2.429 201 C HA -0.065 4.395 4.460 0.001 0.000 0.277 201 C C 2.666 177.684 174.990 0.046 0.000 1.262 201 C CA 1.381 60.429 59.018 0.050 0.000 1.733 201 C CB -0.946 26.843 27.740 0.082 0.000 2.010 201 C HN 0.684 8.914 8.230 -0.000 0.000 0.483 202 Q N -1.499 118.337 119.800 0.060 0.000 2.084 202 Q HA -0.238 4.103 4.340 0.001 0.000 0.202 202 Q C 2.069 178.118 176.000 0.083 0.000 0.978 202 Q CA 2.102 57.940 55.803 0.058 0.000 0.844 202 Q CB -0.473 28.300 28.738 0.058 0.000 0.898 202 Q HN 0.875 9.145 8.270 -0.000 0.000 0.426 203 Y N 0.154 120.455 120.300 0.001 0.000 2.114 203 Y HA -0.233 4.317 4.550 0.001 0.000 0.284 203 Y C 2.015 177.912 175.900 -0.005 0.000 1.143 203 Y CA 1.713 59.814 58.100 0.003 0.000 1.135 203 Y CB -0.293 38.169 38.460 0.003 0.000 0.980 203 Y HN -0.066 8.214 8.280 -0.000 0.000 0.499 204 V N -0.412 119.565 119.914 0.105 0.000 2.343 204 V HA -0.321 3.800 4.120 0.001 0.000 0.247 204 V C 2.245 178.300 176.094 -0.065 0.000 1.051 204 V CA 2.394 64.693 62.300 -0.001 0.000 1.036 204 V CB -1.111 30.721 31.823 0.015 0.000 0.654 204 V HN 0.497 8.687 8.190 -0.000 0.000 0.451 205 T N -0.400 114.133 114.554 -0.035 0.000 2.746 205 T HA -0.210 4.140 4.350 0.001 0.000 0.267 205 T C 1.808 176.479 174.700 -0.047 0.000 1.039 205 T CA 1.709 63.793 62.100 -0.027 0.000 1.142 205 T CB -0.236 68.634 68.868 0.003 0.000 0.866 205 T HN 0.597 8.837 8.240 -0.000 0.000 0.444 206 E N 0.575 120.727 120.200 -0.079 0.000 2.077 206 E HA -0.124 4.226 4.350 0.001 0.000 0.193 206 E C 2.417 178.940 176.600 -0.128 0.000 0.989 206 E CA 0.754 57.099 56.400 -0.093 0.000 0.800 206 E CB 0.028 29.659 29.700 -0.115 0.000 0.746 206 E HN 0.220 8.580 8.360 -0.000 0.000 0.452 207 K N 0.511 120.778 120.400 -0.221 0.000 2.057 207 K HA -0.079 4.241 4.320 0.001 0.000 0.206 207 K C 2.237 178.780 176.600 -0.095 0.000 1.050 207 K CA 0.658 56.827 56.287 -0.197 0.000 0.935 207 K CB -0.654 31.684 32.500 -0.270 0.000 0.715 207 K HN 0.053 8.303 8.250 -0.000 0.000 0.439 208 V N 2.006 121.875 119.914 -0.076 0.000 2.295 208 V HA -0.201 3.920 4.120 0.001 0.000 0.246 208 V C 2.452 178.527 176.094 -0.032 0.000 1.049 208 V CA 1.440 63.713 62.300 -0.046 0.000 1.024 208 V CB -0.437 31.364 31.823 -0.037 0.000 0.648 208 V HN 0.190 8.380 8.190 -0.000 0.000 0.447 209 L N -0.038 121.180 121.223 -0.009 0.000 2.131 209 L HA -0.141 4.199 4.340 0.001 0.000 0.210 209 L C 2.697 179.634 176.870 0.111 0.000 1.092 209 L CA 1.387 56.260 54.840 0.055 0.000 0.759 209 L CB -0.809 41.303 42.059 0.087 0.000 0.903 209 L HN 0.379 8.609 8.230 -0.000 0.000 0.435 210 A N 0.183 123.033 122.820 0.051 0.000 1.902 210 A HA -0.135 4.186 4.320 0.001 0.000 0.217 210 A C 2.536 180.144 177.584 0.040 0.000 1.181 210 A CA 1.678 53.749 52.037 0.057 0.000 0.623 210 A CB -0.551 18.451 19.000 0.004 0.000 0.818 210 A HN 0.391 8.541 8.150 -0.000 0.000 0.443 211 A N -0.712 122.106 122.820 -0.003 0.000 1.929 211 A HA 0.077 4.397 4.320 0.001 0.000 0.216 211 A C 2.214 179.764 177.584 -0.056 0.000 1.176 211 A CA 1.556 53.580 52.037 -0.021 0.000 0.628 211 A CB -0.816 18.166 19.000 -0.030 0.000 0.816 211 A HN 0.334 8.484 8.150 -0.000 0.000 0.444 212 V N -1.421 118.431 119.914 -0.103 0.000 2.295 212 V HA -0.277 3.844 4.120 0.001 0.000 0.246 212 V C 2.344 178.226 176.094 -0.354 0.000 1.049 212 V CA 2.004 64.157 62.300 -0.246 0.000 1.024 212 V CB -0.949 30.670 31.823 -0.340 0.000 0.648 212 V HN 0.678 8.868 8.190 -0.000 0.000 0.447 213 Y N 0.039 120.314 120.300 -0.041 0.000 2.439 213 Y HA -0.111 4.439 4.550 0.001 0.000 0.292 213 Y C 2.364 178.253 175.900 -0.018 0.000 1.130 213 Y CA 1.484 59.564 58.100 -0.033 0.000 1.254 213 Y CB -0.247 38.195 38.460 -0.030 0.000 1.000 213 Y HN 0.162 8.442 8.280 -0.000 0.000 0.554 214 K N 0.831 121.274 120.400 0.073 0.000 2.057 214 K HA -0.062 4.259 4.320 0.001 0.000 0.206 214 K C 2.163 178.776 176.600 0.023 0.000 1.050 214 K CA 1.387 57.703 56.287 0.048 0.000 0.935 214 K CB -0.605 31.914 32.500 0.031 0.000 0.715 214 K HN 0.137 8.387 8.250 -0.000 0.000 0.439 215 A N 0.816 123.629 122.820 -0.012 0.000 1.902 215 A HA -0.082 4.239 4.320 0.001 0.000 0.217 215 A C 2.226 179.813 177.584 0.004 0.000 1.181 215 A CA 1.585 53.624 52.037 0.002 0.000 0.623 215 A CB -0.730 18.222 19.000 -0.079 0.000 0.818 215 A HN 0.319 8.469 8.150 -0.000 0.000 0.443 216 L N -0.557 120.619 121.223 -0.078 0.000 2.083 216 L HA -0.162 4.178 4.340 0.001 0.000 0.209 216 L C 2.910 179.794 176.870 0.025 0.000 1.083 216 L CA 1.502 56.305 54.840 -0.061 0.000 0.752 216 L CB -0.479 41.516 42.059 -0.106 0.000 0.899 216 L HN 0.535 8.765 8.230 -0.000 0.000 0.433 217 S N -0.218 115.508 115.700 0.043 0.000 2.368 217 S HA -0.187 4.284 4.470 0.001 0.000 0.224 217 S C 1.625 176.204 174.600 -0.034 0.000 1.029 217 S CA 1.455 59.683 58.200 0.047 0.000 0.988 217 S CB -0.167 63.071 63.200 0.064 0.000 0.838 217 S HN 0.389 8.699 8.310 -0.000 0.000 0.462 218 D N 0.545 120.916 120.400 -0.048 0.000 2.178 218 D HA -0.067 4.574 4.640 0.001 0.000 0.201 218 D C 1.302 177.326 176.300 -0.461 0.000 0.980 218 D CA 1.065 54.959 54.000 -0.176 0.000 0.842 218 D CB -0.472 40.281 40.800 -0.078 0.000 0.948 218 D HN 0.624 8.994 8.370 -0.000 0.000 0.472 219 H N -0.005 118.864 119.070 -0.335 0.000 2.524 219 H HA 0.031 4.588 4.556 0.001 0.000 0.280 219 H C -0.036 175.131 175.328 -0.268 0.000 1.018 219 H CA 0.135 55.986 56.048 -0.328 0.000 1.165 219 H CB 0.114 29.780 29.762 -0.160 0.000 1.411 219 H HN 0.277 8.557 8.280 -0.000 0.000 0.569 220 H N -0.635 118.491 119.070 0.094 0.000 2.770 220 H HA -0.150 4.407 4.556 0.001 0.000 0.309 220 H C 0.145 175.529 175.328 0.092 0.000 1.206 220 H CA 0.317 56.413 56.048 0.080 0.000 1.147 220 H CB -2.119 27.678 29.762 0.058 0.000 1.422 220 H HN 0.290 8.570 8.280 -0.000 0.000 0.420 221 I N 0.681 121.340 120.570 0.148 0.000 2.474 221 I HA -0.011 4.160 4.170 0.001 0.000 0.287 221 I C 1.087 177.312 176.117 0.180 0.000 1.048 221 I CA -0.540 60.835 61.300 0.124 0.000 1.383 221 I CB 0.121 38.145 38.000 0.040 0.000 1.412 221 I HN 0.143 8.353 8.210 -0.000 0.000 0.531 222 Y N 6.483 126.809 120.300 0.043 0.000 2.556 222 Y HA 0.234 4.785 4.550 0.001 0.000 0.352 222 Y C 0.863 176.790 175.900 0.045 0.000 1.006 222 Y CA -0.175 57.953 58.100 0.046 0.000 1.277 222 Y CB 0.502 38.983 38.460 0.035 0.000 1.136 222 Y HN 0.508 8.788 8.280 -0.000 0.000 0.523 223 L N 3.272 124.395 121.223 -0.167 0.000 2.079 223 L HA -0.210 4.131 4.340 0.001 0.000 0.210 223 L C 1.601 178.281 176.870 -0.316 0.000 1.081 223 L CA 1.490 56.234 54.840 -0.159 0.000 0.752 223 L CB -0.176 41.849 42.059 -0.056 0.000 0.896 223 L HN 0.544 8.774 8.230 -0.000 0.000 0.433 224 E N 0.189 119.986 120.200 -0.671 0.000 2.265 224 E HA -0.112 4.238 4.350 0.001 0.000 0.196 224 E C 1.716 178.112 176.600 -0.341 0.000 0.996 224 E CA 0.992 57.079 56.400 -0.521 0.000 0.832 224 E CB -0.194 29.148 29.700 -0.595 0.000 0.756 224 E HN 0.426 8.787 8.360 -0.000 0.000 0.491 225 G N 0.552 109.137 108.800 -0.358 0.000 3.702 225 G HA2 0.141 4.101 3.960 0.001 0.000 0.288 225 G HA3 0.141 4.101 3.960 0.001 0.000 0.288 225 G C -0.030 174.872 174.900 0.004 0.000 1.193 225 G CA 0.242 45.369 45.100 0.045 0.000 0.952 225 G HN 0.218 8.508 8.290 -0.000 0.000 0.544 226 T N -2.411 112.102 114.554 -0.070 0.000 2.865 226 T HA 0.776 5.127 4.350 0.001 0.000 0.294 226 T C -0.890 173.758 174.700 -0.088 0.000 1.119 226 T CA -0.841 61.227 62.100 -0.055 0.000 1.007 226 T CB 2.292 71.138 68.868 -0.036 0.000 1.225 226 T HN -0.043 8.197 8.240 -0.000 0.000 0.515 227 L N 0.610 121.787 121.223 -0.078 0.000 2.393 227 L HA 0.720 5.061 4.340 0.001 0.000 0.260 227 L C -1.469 175.347 176.870 -0.090 0.000 1.002 227 L CA -1.308 53.459 54.840 -0.123 0.000 0.818 227 L CB 2.305 44.262 42.059 -0.171 0.000 1.369 227 L HN 0.644 8.874 8.230 -0.000 0.000 0.412 228 L N 2.285 123.422 121.223 -0.143 0.000 2.322 228 L HA 0.468 4.809 4.340 0.001 0.000 0.281 228 L C -0.506 176.258 176.870 -0.177 0.000 1.014 228 L CA -0.093 54.671 54.840 -0.127 0.000 0.815 228 L CB 1.370 43.348 42.059 -0.135 0.000 1.247 228 L HN 0.539 8.769 8.230 -0.000 0.000 0.421 229 K N 7.047 127.387 120.400 -0.100 0.000 2.562 229 K HA 0.513 4.833 4.320 0.001 0.000 0.206 229 K C -2.760 173.825 176.600 -0.024 0.000 1.033 229 K CA -1.554 54.688 56.287 -0.076 0.000 1.029 229 K CB 0.901 33.398 32.500 -0.004 0.000 1.393 229 K HN 0.416 8.666 8.250 -0.000 0.000 0.539 230 P HA 0.174 4.594 4.420 -0.000 0.000 0.286 230 P C -1.179 176.232 177.300 0.184 0.000 1.292 230 P CA -0.678 62.450 63.100 0.047 0.000 0.842 230 P CB 0.939 32.646 31.700 0.012 0.000 1.207 231 N N 0.695 119.488 118.700 0.155 0.000 2.513 231 N HA 0.175 4.915 4.740 0.001 0.000 0.274 231 N C 0.175 175.803 175.510 0.196 0.000 1.189 231 N CA -0.325 52.821 53.050 0.160 0.000 0.975 231 N CB 0.470 39.003 38.487 0.076 0.000 1.157 231 N HN 0.388 8.768 8.380 -0.000 0.000 0.465 232 M N 0.569 120.229 119.600 0.100 0.000 2.198 232 M HA 0.111 4.591 4.480 0.001 0.000 0.315 232 M C -0.057 176.225 176.300 -0.031 0.000 1.134 232 M CA -0.574 54.681 55.300 -0.076 0.000 1.171 232 M CB 0.924 33.373 32.600 -0.250 0.000 1.413 232 M HN 0.230 8.520 8.290 -0.000 0.000 0.467 233 V N 1.890 121.776 119.914 -0.047 0.000 2.389 233 V HA 0.327 4.448 4.120 0.001 0.000 0.264 233 V C 0.319 176.355 176.094 -0.097 0.000 1.049 233 V CA -0.129 62.146 62.300 -0.042 0.000 0.932 233 V CB 0.288 32.098 31.823 -0.022 0.000 1.011 233 V HN 1.005 9.195 8.190 -0.000 0.000 0.475 234 T N 4.331 118.821 114.554 -0.106 0.000 2.865 234 T HA 0.669 5.019 4.350 0.001 0.000 0.294 234 T C -3.062 171.515 174.700 -0.205 0.000 1.119 234 T CA -2.061 59.932 62.100 -0.177 0.000 1.007 234 T CB 2.641 71.415 68.868 -0.155 0.000 1.225 234 T HN 0.373 8.613 8.240 -0.000 0.000 0.515 235 P HA 0.359 4.779 4.420 -0.000 0.000 0.276 235 P C 0.536 177.595 177.300 -0.402 0.000 1.252 235 P CA -0.096 62.812 63.100 -0.320 0.000 0.802 235 P CB 0.275 31.818 31.700 -0.263 0.000 1.035 236 G N 0.033 108.368 108.800 -0.775 0.000 2.636 236 G HA2 -0.034 3.927 3.960 0.001 0.000 0.246 236 G HA3 -0.034 3.927 3.960 0.001 0.000 0.246 236 G C 1.013 175.620 174.900 -0.487 0.000 1.216 236 G CA -0.129 44.450 45.100 -0.869 0.000 0.854 236 G HN 0.574 8.864 8.290 -0.000 0.000 0.572 237 H N 1.150 120.014 119.070 -0.344 0.000 2.422 237 H HA -0.094 4.462 4.556 0.001 0.000 0.298 237 H C 2.470 177.319 175.328 -0.798 0.000 1.098 237 H CA 1.518 57.313 56.048 -0.421 0.000 1.315 237 H CB 0.026 29.572 29.762 -0.360 0.000 1.382 237 H HN 0.474 8.754 8.280 -0.000 0.000 0.523 238 A N 0.112 122.554 122.820 -0.629 0.000 2.379 238 A HA 0.105 4.426 4.320 0.001 0.000 0.236 238 A C 1.023 178.455 177.584 -0.253 0.000 1.272 238 A CA -0.303 51.289 52.037 -0.742 0.000 0.886 238 A CB -0.487 18.259 19.000 -0.423 0.000 0.962 238 A HN 0.358 8.508 8.150 -0.000 0.000 0.504 239 C N 1.211 120.378 119.300 -0.222 0.000 2.657 239 C HA 0.300 4.761 4.460 0.001 0.000 0.420 239 C C 2.181 177.178 174.990 0.012 0.000 1.323 239 C CA 1.009 59.968 59.018 -0.097 0.000 1.894 239 C CB -0.008 27.684 27.740 -0.080 0.000 2.681 239 C HN 0.667 8.897 8.230 -0.000 0.000 0.613 240 T N 1.518 116.072 114.554 0.001 0.000 3.044 240 T HA 0.085 4.436 4.350 0.001 0.000 0.250 240 T C 0.499 175.225 174.700 0.044 0.000 1.081 240 T CA 0.297 62.402 62.100 0.009 0.000 1.040 240 T CB -0.092 68.692 68.868 -0.139 0.000 0.962 240 T HN 0.843 9.083 8.240 -0.000 0.000 0.506 241 Q N 1.329 121.143 119.800 0.024 0.000 2.259 241 Q HA 0.320 4.660 4.340 0.001 0.000 0.249 241 Q C -0.449 175.447 176.000 -0.173 0.000 0.914 241 Q CA -0.784 54.952 55.803 -0.111 0.000 0.904 241 Q CB 0.761 29.367 28.738 -0.220 0.000 1.213 241 Q HN -0.012 8.258 8.270 -0.000 0.000 0.428 242 K N 2.863 123.089 120.400 -0.290 0.000 2.130 242 K HA 0.290 4.611 4.320 0.001 0.000 0.268 242 K C -1.675 174.671 176.600 -0.424 0.000 0.983 242 K CA -0.125 56.044 56.287 -0.196 0.000 0.893 242 K CB 0.606 33.039 32.500 -0.110 0.000 1.066 242 K HN 0.570 8.820 8.250 -0.000 0.000 0.450 243 Y N -0.714 119.553 120.300 -0.054 0.000 2.588 243 Y HA 0.208 4.759 4.550 0.001 0.000 0.343 243 Y C 0.444 176.268 175.900 -0.127 0.000 1.065 243 Y CA -0.782 57.277 58.100 -0.068 0.000 1.038 243 Y CB 1.937 40.361 38.460 -0.060 0.000 1.297 243 Y HN 0.594 8.874 8.280 -0.000 0.000 0.467 244 S N -0.323 115.410 115.700 0.054 0.000 2.687 244 S HA 0.283 4.753 4.470 0.001 0.000 0.283 244 S C 0.421 174.964 174.600 -0.095 0.000 1.170 244 S CA -0.635 57.519 58.200 -0.076 0.000 1.008 244 S CB 0.752 63.950 63.200 -0.002 0.000 1.026 244 S HN 0.770 9.080 8.310 -0.000 0.000 0.541 245 H N 0.670 119.774 119.070 0.056 0.000 2.456 245 H HA -0.013 4.544 4.556 0.001 0.000 0.296 245 H C 1.488 176.834 175.328 0.030 0.000 1.079 245 H CA 1.698 57.766 56.048 0.035 0.000 1.322 245 H CB -0.166 29.615 29.762 0.032 0.000 1.388 245 H HN 0.684 8.964 8.280 -0.000 0.000 0.538 246 E N 0.939 121.219 120.200 0.134 0.000 2.106 246 E HA -0.105 4.246 4.350 0.001 0.000 0.192 246 E C 2.174 178.817 176.600 0.072 0.000 0.984 246 E CA 0.754 57.209 56.400 0.093 0.000 0.806 246 E CB -0.028 29.718 29.700 0.077 0.000 0.750 246 E HN 0.608 8.968 8.360 -0.000 0.000 0.458 247 E N 0.095 120.338 120.200 0.072 0.000 2.072 247 E HA -0.085 4.265 4.350 0.001 0.000 0.190 247 E C 2.104 178.719 176.600 0.026 0.000 0.982 247 E CA 0.684 57.129 56.400 0.075 0.000 0.803 247 E CB -0.118 29.671 29.700 0.149 0.000 0.755 247 E HN 0.248 8.608 8.360 -0.000 0.000 0.453 248 I N 1.354 121.926 120.570 0.003 0.000 2.226 248 I HA -0.281 3.890 4.170 0.001 0.000 0.245 248 I C 2.543 178.644 176.117 -0.026 0.000 1.100 248 I CA 0.971 62.242 61.300 -0.047 0.000 1.374 248 I CB -0.280 37.703 38.000 -0.030 0.000 1.057 248 I HN 0.095 8.305 8.210 -0.000 0.000 0.413 249 A N 0.207 123.035 122.820 0.013 0.000 1.898 249 A HA -0.248 4.072 4.320 0.001 0.000 0.216 249 A C 2.258 179.865 177.584 0.039 0.000 1.181 249 A CA 1.716 53.764 52.037 0.018 0.000 0.620 249 A CB -0.551 18.477 19.000 0.047 0.000 0.819 249 A HN 0.360 8.510 8.150 -0.000 0.000 0.442 250 M N 0.263 119.890 119.600 0.045 0.000 2.117 250 M HA -0.025 4.455 4.480 0.001 0.000 0.262 250 M C 2.105 178.436 176.300 0.051 0.000 1.065 250 M CA 1.728 57.061 55.300 0.054 0.000 1.114 250 M CB -0.567 32.065 32.600 0.054 0.000 1.361 250 M HN 0.370 8.660 8.290 -0.000 0.000 0.408 251 A N -1.515 121.322 122.820 0.029 0.000 1.930 251 A HA -0.099 4.221 4.320 0.001 0.000 0.217 251 A C 2.169 179.772 177.584 0.033 0.000 1.175 251 A CA 2.077 54.127 52.037 0.022 0.000 0.627 251 A CB -1.225 17.763 19.000 -0.021 0.000 0.815 251 A HN 0.545 8.695 8.150 -0.000 0.000 0.443 252 T N -0.303 114.266 114.554 0.024 0.000 2.701 252 T HA -0.100 4.250 4.350 0.001 0.000 0.263 252 T C 1.887 176.659 174.700 0.120 0.000 1.040 252 T CA 1.653 63.782 62.100 0.048 0.000 1.147 252 T CB -0.436 68.412 68.868 -0.032 0.000 0.865 252 T HN 0.137 8.377 8.240 -0.000 0.000 0.426 253 V N 1.689 121.686 119.914 0.139 0.000 2.490 253 V HA -0.165 3.955 4.120 0.001 0.000 0.250 253 V C 2.740 178.948 176.094 0.191 0.000 1.061 253 V CA 1.842 64.269 62.300 0.210 0.000 1.064 253 V CB -1.150 30.788 31.823 0.193 0.000 0.670 253 V HN 0.539 8.729 8.190 -0.000 0.000 0.461 254 T N 0.395 115.024 114.554 0.126 0.000 2.777 254 T HA -0.101 4.249 4.350 0.001 0.000 0.266 254 T C 2.117 176.878 174.700 0.101 0.000 1.040 254 T CA 1.523 63.687 62.100 0.105 0.000 1.141 254 T CB -0.367 68.547 68.868 0.076 0.000 0.868 254 T HN 0.568 8.808 8.240 -0.000 0.000 0.444 255 A N 1.394 124.265 122.820 0.085 0.000 1.877 255 A HA -0.013 4.307 4.320 0.001 0.000 0.216 255 A C 2.305 179.927 177.584 0.064 0.000 1.186 255 A CA 1.274 53.347 52.037 0.061 0.000 0.620 255 A CB -0.894 18.134 19.000 0.047 0.000 0.822 255 A HN 0.467 8.617 8.150 -0.000 0.000 0.443 256 L N -1.287 119.983 121.223 0.078 0.000 2.017 256 L HA -0.184 4.157 4.340 0.001 0.000 0.208 256 L C 2.823 179.821 176.870 0.214 0.000 1.073 256 L CA 1.565 56.410 54.840 0.008 0.000 0.745 256 L CB -0.520 41.443 42.059 -0.161 0.000 0.894 256 L HN 0.336 8.566 8.230 -0.000 0.000 0.432 257 R N -0.065 120.654 120.500 0.364 0.000 2.159 257 R HA -0.134 4.207 4.340 0.001 0.000 0.237 257 R C 2.166 178.572 176.300 0.177 0.000 1.131 257 R CA 1.102 57.403 56.100 0.335 0.000 0.982 257 R CB -0.173 30.242 30.300 0.192 0.000 0.868 257 R HN 0.352 8.622 8.270 -0.000 0.000 0.453 258 R N -0.716 119.855 120.500 0.118 0.000 2.310 258 R HA 0.019 4.359 4.340 0.001 0.000 0.202 258 R C 1.227 177.552 176.300 0.042 0.000 0.933 258 R CA 1.360 57.499 56.100 0.065 0.000 1.054 258 R CB 0.512 30.841 30.300 0.047 0.000 0.985 258 R HN 0.325 8.595 8.270 -0.000 0.000 0.489 259 T N -5.088 109.489 114.554 0.038 0.000 3.100 259 T HA 0.143 4.494 4.350 0.001 0.000 0.255 259 T C 0.407 175.034 174.700 -0.121 0.000 0.893 259 T CA -0.312 61.788 62.100 -0.001 0.000 0.882 259 T CB 0.290 69.174 68.868 0.027 0.000 1.266 259 T HN -0.173 8.067 8.240 -0.000 0.000 0.528 260 V N 4.588 124.403 119.914 -0.166 0.000 2.372 260 V HA 0.384 4.504 4.120 0.001 0.000 0.261 260 V C -2.485 173.538 176.094 -0.120 0.000 1.055 260 V CA -1.925 60.104 62.300 -0.453 0.000 0.930 260 V CB 0.414 31.864 31.823 -0.622 0.000 1.031 260 V HN 0.247 8.437 8.190 -0.000 0.000 0.479 261 P HA 0.088 4.508 4.420 -0.000 0.000 0.265 261 P C -1.991 175.385 177.300 0.127 0.000 1.187 261 P CA -0.888 62.166 63.100 -0.077 0.000 0.766 261 P CB 0.126 31.733 31.700 -0.155 0.000 0.820 262 P HA -0.200 4.220 4.420 -0.000 0.000 0.219 262 P C 1.120 178.453 177.300 0.054 0.000 1.146 262 P CA 1.645 64.743 63.100 -0.004 0.000 0.808 262 P CB -0.267 31.364 31.700 -0.116 0.000 0.779 263 A N -0.757 122.073 122.820 0.018 0.000 2.019 263 A HA -0.065 4.256 4.320 0.001 0.000 0.219 263 A C 1.074 178.641 177.584 -0.028 0.000 1.164 263 A CA 0.665 52.690 52.037 -0.020 0.000 0.644 263 A CB -1.287 17.680 19.000 -0.055 0.000 0.805 263 A HN 0.035 8.185 8.150 -0.000 0.000 0.449 264 V N 1.340 121.261 119.914 0.011 0.000 2.540 264 V HA -0.028 4.092 4.120 0.001 0.000 0.297 264 V C 1.670 177.759 176.094 -0.008 0.000 1.024 264 V CA 0.966 63.245 62.300 -0.034 0.000 1.105 264 V CB 0.524 32.277 31.823 -0.117 0.000 0.938 264 V HN 0.560 8.750 8.190 -0.000 0.000 0.482 265 T N 3.642 118.119 114.554 -0.129 0.000 2.788 265 T HA 0.104 4.455 4.350 0.001 0.000 0.268 265 T C 0.748 175.337 174.700 -0.186 0.000 1.044 265 T CA 1.405 63.358 62.100 -0.244 0.000 1.139 265 T CB -0.008 68.578 68.868 -0.471 0.000 0.867 265 T HN 0.977 9.217 8.240 -0.000 0.000 0.454 266 G N -0.563 108.132 108.800 -0.175 0.000 2.646 266 G HA2 0.513 4.474 3.960 0.001 0.000 0.291 266 G HA3 0.513 4.474 3.960 0.001 0.000 0.291 266 G C -2.075 172.661 174.900 -0.274 0.000 1.445 266 G CA -0.620 44.373 45.100 -0.178 0.000 0.814 266 G HN 0.057 8.347 8.290 -0.000 0.000 0.495 267 V N 1.218 120.929 119.914 -0.339 0.000 2.407 267 V HA 0.583 4.704 4.120 0.001 0.000 0.291 267 V C 0.130 175.893 176.094 -0.552 0.000 1.018 267 V CA -0.439 61.541 62.300 -0.533 0.000 0.842 267 V CB 1.514 32.870 31.823 -0.777 0.000 0.996 267 V HN 1.060 9.250 8.190 -0.000 0.000 0.426 268 T N 1.978 116.263 114.554 -0.448 0.000 3.042 268 T HA 0.560 4.911 4.350 0.001 0.000 0.356 268 T C -0.367 174.202 174.700 -0.218 0.000 1.233 268 T CA -0.407 61.495 62.100 -0.329 0.000 1.038 268 T CB -0.334 68.376 68.868 -0.263 0.000 1.089 268 T HN 0.124 8.364 8.240 -0.000 0.000 0.531 269 F N 3.248 123.187 119.950 -0.019 0.000 2.602 269 F HA 0.322 4.849 4.527 0.001 0.000 0.367 269 F C 0.829 176.751 175.800 0.203 0.000 1.126 269 F CA -1.105 56.946 58.000 0.084 0.000 1.321 269 F CB 0.143 39.229 39.000 0.144 0.000 1.094 269 F HN 0.552 8.852 8.300 -0.000 0.000 0.594 270 L N 0.476 121.947 121.223 0.413 0.000 2.399 270 L HA 0.598 4.939 4.340 0.001 0.000 0.265 270 L C 0.657 177.735 176.870 0.347 0.000 1.089 270 L CA -0.224 54.828 54.840 0.355 0.000 0.802 270 L CB 1.206 43.388 42.059 0.206 0.000 1.180 270 L HN 0.558 8.788 8.230 -0.000 0.000 0.454 271 S N -1.092 114.731 115.700 0.205 0.000 2.559 271 S HA 0.504 4.974 4.470 0.001 0.000 0.226 271 S C 1.107 175.697 174.600 -0.016 0.000 1.000 271 S CA -0.013 58.168 58.200 -0.031 0.000 0.948 271 S CB -0.540 62.356 63.200 -0.505 0.000 0.870 271 S HN 1.598 9.908 8.310 -0.000 0.000 0.497 272 G N 1.944 110.769 108.800 0.042 0.000 2.651 272 G HA2 -0.249 3.711 3.960 0.001 0.000 0.315 272 G HA3 -0.249 3.711 3.960 0.001 0.000 0.315 272 G C 0.796 175.722 174.900 0.044 0.000 1.258 272 G CA 0.119 45.252 45.100 0.054 0.000 1.002 272 G HN 1.324 9.614 8.290 -0.000 0.000 0.551 273 G N 0.275 109.133 108.800 0.096 0.000 3.233 273 G HA2 0.430 4.391 3.960 0.001 0.000 0.227 273 G HA3 0.430 4.391 3.960 0.001 0.000 0.227 273 G C 0.696 175.624 174.900 0.048 0.000 1.175 273 G CA 0.901 46.039 45.100 0.064 0.000 0.781 273 G HN 0.770 9.060 8.290 -0.000 0.000 0.542 274 Q N 1.033 120.849 119.800 0.028 0.000 2.421 274 Q HA 0.319 4.659 4.340 0.001 0.000 0.255 274 Q C 0.744 176.720 176.000 -0.041 0.000 1.013 274 Q CA -0.122 55.681 55.803 -0.000 0.000 0.895 274 Q CB 0.893 29.602 28.738 -0.048 0.000 1.271 274 Q HN 0.372 8.642 8.270 -0.000 0.000 0.460 275 S N 0.678 116.365 115.700 -0.021 0.000 2.600 275 S HA 0.038 4.509 4.470 0.001 0.000 0.265 275 S C 0.671 175.229 174.600 -0.069 0.000 1.325 275 S CA -0.563 57.621 58.200 -0.027 0.000 1.002 275 S CB 0.927 64.129 63.200 0.003 0.000 0.921 275 S HN 0.675 8.985 8.310 -0.000 0.000 0.554 276 E N 0.575 120.739 120.200 -0.060 0.000 2.070 276 E HA -0.241 4.110 4.350 0.001 0.000 0.197 276 E C 1.837 178.388 176.600 -0.082 0.000 1.004 276 E CA 1.686 58.035 56.400 -0.085 0.000 0.805 276 E CB -0.196 29.482 29.700 -0.037 0.000 0.744 276 E HN 0.809 9.169 8.360 -0.000 0.000 0.451 277 E N 1.083 121.266 120.200 -0.027 0.000 2.031 277 E HA -0.209 4.141 4.350 0.001 0.000 0.193 277 E C 1.887 178.482 176.600 -0.008 0.000 0.994 277 E CA 1.343 57.750 56.400 0.012 0.000 0.800 277 E CB -0.071 29.656 29.700 0.045 0.000 0.752 277 E HN 0.242 8.602 8.360 -0.000 0.000 0.447 278 E N -0.498 119.694 120.200 -0.014 0.000 2.070 278 E HA -0.274 4.077 4.350 0.001 0.000 0.197 278 E C 1.909 178.475 176.600 -0.057 0.000 1.004 278 E CA 1.271 57.665 56.400 -0.010 0.000 0.805 278 E CB -0.257 29.462 29.700 0.031 0.000 0.744 278 E HN 0.320 8.680 8.360 -0.000 0.000 0.451 279 A N 0.224 122.971 122.820 -0.121 0.000 1.972 279 A HA -0.163 4.157 4.320 0.001 0.000 0.219 279 A C 2.321 179.867 177.584 -0.064 0.000 1.169 279 A CA 1.846 53.766 52.037 -0.196 0.000 0.635 279 A CB -0.372 18.287 19.000 -0.569 0.000 0.810 279 A HN 0.258 8.408 8.150 -0.000 0.000 0.446 280 S N -0.305 115.343 115.700 -0.086 0.000 2.377 280 S HA -0.012 4.458 4.470 0.001 0.000 0.223 280 S C 1.793 176.386 174.600 -0.013 0.000 1.030 280 S CA 1.209 59.337 58.200 -0.120 0.000 0.970 280 S CB -0.415 62.562 63.200 -0.371 0.000 0.830 280 S HN 0.554 8.864 8.310 -0.000 0.000 0.473 281 I N 2.294 122.870 120.570 0.009 0.000 2.226 281 I HA -0.192 3.979 4.170 0.001 0.000 0.245 281 I C 2.154 178.196 176.117 -0.125 0.000 1.100 281 I CA 0.879 62.141 61.300 -0.064 0.000 1.374 281 I CB -0.438 37.367 38.000 -0.325 0.000 1.057 281 I HN 0.237 8.447 8.210 -0.000 0.000 0.413 282 N N 0.819 119.457 118.700 -0.104 0.000 2.142 282 N HA -0.157 4.583 4.740 0.001 0.000 0.186 282 N C 1.861 177.355 175.510 -0.027 0.000 1.023 282 N CA 1.155 54.185 53.050 -0.032 0.000 0.852 282 N CB -0.393 38.087 38.487 -0.011 0.000 0.998 282 N HN 0.210 8.590 8.380 -0.000 0.000 0.424 283 L N 1.742 122.971 121.223 0.011 0.000 2.083 283 L HA -0.090 4.250 4.340 0.001 0.000 0.209 283 L C 1.783 178.700 176.870 0.078 0.000 1.083 283 L CA 1.606 56.481 54.840 0.059 0.000 0.752 283 L CB -0.993 41.167 42.059 0.168 0.000 0.899 283 L HN 0.092 8.322 8.230 -0.000 0.000 0.433 284 N N -0.241 118.503 118.700 0.074 0.000 2.106 284 N HA -0.147 4.594 4.740 0.001 0.000 0.188 284 N C 1.841 177.398 175.510 0.077 0.000 1.029 284 N CA 1.628 54.738 53.050 0.099 0.000 0.848 284 N CB -0.257 38.320 38.487 0.149 0.000 1.007 284 N HN 0.452 8.832 8.380 -0.000 0.000 0.423 285 A N 0.485 123.338 122.820 0.055 0.000 1.933 285 A HA -0.064 4.256 4.320 0.001 0.000 0.218 285 A C 2.296 179.918 177.584 0.064 0.000 1.175 285 A CA 1.088 53.162 52.037 0.062 0.000 0.628 285 A CB -0.791 18.258 19.000 0.080 0.000 0.814 285 A HN 0.417 8.567 8.150 -0.000 0.000 0.444 286 I N 0.066 120.666 120.570 0.049 0.000 2.208 286 I HA -0.259 3.911 4.170 0.001 0.000 0.245 286 I C 1.860 178.048 176.117 0.119 0.000 1.097 286 I CA 1.215 62.555 61.300 0.066 0.000 1.363 286 I CB -0.383 37.624 38.000 0.012 0.000 1.051 286 I HN 0.351 8.561 8.210 -0.000 0.000 0.413 287 N N 0.756 119.529 118.700 0.121 0.000 2.494 287 N HA -0.080 4.660 4.740 0.001 0.000 0.182 287 N C 1.360 176.924 175.510 0.089 0.000 1.076 287 N CA 0.798 53.920 53.050 0.120 0.000 0.908 287 N CB 0.153 38.712 38.487 0.120 0.000 0.967 287 N HN 0.444 8.824 8.380 -0.000 0.000 0.449 288 K N -0.076 120.371 120.400 0.079 0.000 2.353 288 K HA 0.118 4.439 4.320 0.001 0.000 0.195 288 K C 0.431 177.066 176.600 0.058 0.000 1.031 288 K CA -0.236 56.088 56.287 0.062 0.000 1.079 288 K CB 0.513 33.047 32.500 0.057 0.000 0.857 288 K HN 0.006 8.256 8.250 -0.000 0.000 0.535 289 C N 2.828 122.169 119.300 0.069 0.000 2.523 289 C HA 0.041 4.501 4.460 0.001 0.000 0.406 289 C C -1.082 173.940 174.990 0.053 0.000 1.449 289 C CA -1.506 57.551 59.018 0.065 0.000 1.588 289 C CB 0.413 28.201 27.740 0.081 0.000 2.514 289 C HN 0.319 8.549 8.230 -0.000 0.000 0.606 290 P HA -0.096 4.324 4.420 -0.000 0.000 0.217 290 P C 0.311 177.623 177.300 0.021 0.000 1.148 290 P CA 1.085 64.203 63.100 0.029 0.000 0.828 290 P CB -0.087 31.628 31.700 0.026 0.000 0.783 291 L N -0.780 120.460 121.223 0.029 0.000 2.492 291 L HA -0.009 4.332 4.340 0.001 0.000 0.280 291 L C 1.045 177.911 176.870 -0.007 0.000 1.240 291 L CA -0.422 54.428 54.840 0.017 0.000 0.831 291 L CB -0.244 41.839 42.059 0.039 0.000 1.100 291 L HN -0.025 8.205 8.230 -0.000 0.000 0.505 292 L N 1.986 123.181 121.223 -0.046 0.000 2.367 292 L HA 0.175 4.516 4.340 0.001 0.000 0.275 292 L C -0.537 176.219 176.870 -0.191 0.000 1.129 292 L CA -0.249 54.529 54.840 -0.103 0.000 0.839 292 L CB 0.404 42.392 42.059 -0.119 0.000 1.133 292 L HN 0.500 8.730 8.230 -0.000 0.000 0.453 293 K N 6.566 126.830 120.400 -0.226 0.000 2.521 293 K HA 0.346 4.667 4.320 0.001 0.000 0.248 293 K C -1.865 174.394 176.600 -0.568 0.000 0.978 293 K CA -1.242 54.796 56.287 -0.415 0.000 0.947 293 K CB 1.224 33.714 32.500 -0.016 0.000 1.165 293 K HN 0.371 8.621 8.250 -0.000 0.000 0.445 294 P HA -0.026 4.394 4.420 -0.000 0.000 0.249 294 P C -0.886 176.045 177.300 -0.615 0.000 1.241 294 P CA 0.208 62.837 63.100 -0.785 0.000 0.781 294 P CB 0.189 31.405 31.700 -0.806 0.000 1.088 295 W N -0.676 120.586 121.300 -0.063 0.000 3.031 295 W HA 0.677 5.338 4.660 0.001 0.000 0.337 295 W C -0.617 175.851 176.519 -0.084 0.000 1.187 295 W CA -1.690 55.599 57.345 -0.093 0.000 1.166 295 W CB 0.919 30.303 29.460 -0.127 0.000 1.437 295 W HN -0.225 7.955 8.180 -0.000 0.000 0.551 296 A N 2.084 125.003 122.820 0.165 0.000 2.462 296 A HA 0.524 4.845 4.320 0.001 0.000 0.243 296 A C -0.622 177.001 177.584 0.065 0.000 1.076 296 A CA -0.009 52.069 52.037 0.068 0.000 0.773 296 A CB 0.251 19.230 19.000 -0.034 0.000 1.010 296 A HN 0.637 8.787 8.150 -0.000 0.000 0.493 297 L N 3.084 124.362 121.223 0.091 0.000 2.366 297 L HA 0.412 4.752 4.340 0.001 0.000 0.266 297 L C 0.442 177.389 176.870 0.128 0.000 1.010 297 L CA -0.153 54.755 54.840 0.114 0.000 0.879 297 L CB 1.279 43.516 42.059 0.297 0.000 1.228 297 L HN 0.930 9.160 8.230 -0.000 0.000 0.439 298 T N 1.483 116.041 114.554 0.007 0.000 2.598 298 T HA 0.678 5.029 4.350 0.001 0.000 0.254 298 T C -1.101 173.617 174.700 0.030 0.000 0.889 298 T CA -0.331 61.784 62.100 0.025 0.000 1.091 298 T CB 1.098 69.853 68.868 -0.190 0.000 1.437 298 T HN 0.197 8.437 8.240 -0.000 0.000 0.542 299 F N -0.005 119.792 119.950 -0.255 0.000 2.579 299 F HA 0.844 5.372 4.527 0.001 0.000 0.324 299 F C -0.104 175.442 175.800 -0.424 0.000 1.058 299 F CA -1.192 56.472 58.000 -0.560 0.000 0.944 299 F CB 1.773 40.039 39.000 -1.222 0.000 1.245 299 F HN 0.367 8.667 8.300 -0.000 0.000 0.477 300 S N 1.921 117.481 115.700 -0.232 0.000 2.386 300 S HA 0.441 4.912 4.470 0.001 0.000 0.152 300 S C -1.947 172.799 174.600 0.244 0.000 1.511 300 S CA -0.378 57.804 58.200 -0.029 0.000 1.246 300 S CB -0.592 62.603 63.200 -0.008 0.000 1.338 300 S HN 0.512 8.822 8.310 -0.000 0.000 0.409 301 Y N 1.062 121.544 120.300 0.303 0.000 2.361 301 Y HA 0.681 5.232 4.550 0.001 0.000 0.332 301 Y C 1.191 177.184 175.900 0.155 0.000 1.101 301 Y CA -0.740 57.486 58.100 0.211 0.000 1.137 301 Y CB 1.384 39.954 38.460 0.183 0.000 1.207 301 Y HN 0.479 8.759 8.280 -0.000 0.000 0.463 302 G N 1.946 110.911 108.800 0.275 0.000 2.534 302 G HA2 -0.014 3.947 3.960 0.001 0.000 0.224 302 G HA3 -0.014 3.947 3.960 0.001 0.000 0.224 302 G C 1.433 176.413 174.900 0.133 0.000 1.822 302 G CA 0.013 45.211 45.100 0.164 0.000 0.805 302 G HN 0.577 8.867 8.290 -0.000 0.000 0.649 303 R N 0.643 121.196 120.500 0.088 0.000 2.105 303 R HA -0.015 4.326 4.340 0.001 0.000 0.239 303 R C 2.477 178.798 176.300 0.035 0.000 1.135 303 R CA 1.783 57.917 56.100 0.056 0.000 0.967 303 R CB -0.470 29.845 30.300 0.025 0.000 0.861 303 R HN 0.279 8.549 8.270 -0.000 0.000 0.442 304 A N 0.324 123.133 122.820 -0.017 0.000 2.172 304 A HA -0.021 4.299 4.320 0.001 0.000 0.216 304 A C 1.867 179.466 177.584 0.024 0.000 1.154 304 A CA 0.869 52.837 52.037 -0.114 0.000 0.701 304 A CB -0.068 18.615 19.000 -0.528 0.000 0.789 304 A HN 0.415 8.565 8.150 -0.000 0.000 0.465 305 L N -2.505 118.805 121.223 0.145 0.000 2.642 305 L HA 0.082 4.423 4.340 0.001 0.000 0.233 305 L C 2.225 179.235 176.870 0.232 0.000 1.077 305 L CA 0.360 55.332 54.840 0.220 0.000 0.879 305 L CB 0.142 42.405 42.059 0.340 0.000 1.151 305 L HN 0.370 8.600 8.230 -0.000 0.000 0.495 306 Q N -0.595 119.301 119.800 0.159 0.000 2.378 306 Q HA 0.187 4.528 4.340 0.001 0.000 0.229 306 Q C 2.222 178.316 176.000 0.157 0.000 0.882 306 Q CA 0.588 56.486 55.803 0.158 0.000 0.936 306 Q CB 0.413 29.250 28.738 0.164 0.000 1.092 306 Q HN 0.395 8.665 8.270 -0.000 0.000 0.535 307 A N 1.455 124.340 122.820 0.108 0.000 1.873 307 A HA -0.316 4.004 4.320 0.001 0.000 0.219 307 A C 2.247 179.887 177.584 0.092 0.000 1.269 307 A CA 2.454 54.539 52.037 0.081 0.000 0.671 307 A CB -1.007 18.020 19.000 0.046 0.000 0.842 307 A HN 0.295 8.445 8.150 -0.000 0.000 0.460 308 S N -0.472 115.283 115.700 0.091 0.000 2.382 308 S HA 0.016 4.486 4.470 0.001 0.000 0.228 308 S C 2.287 176.968 174.600 0.135 0.000 1.027 308 S CA 1.224 59.481 58.200 0.095 0.000 0.991 308 S CB -0.553 62.694 63.200 0.080 0.000 0.823 308 S HN 0.877 9.187 8.310 -0.000 0.000 0.469 309 A N 1.453 124.375 122.820 0.170 0.000 1.902 309 A HA -0.072 4.249 4.320 0.001 0.000 0.217 309 A C 2.108 179.868 177.584 0.293 0.000 1.181 309 A CA 1.389 53.558 52.037 0.220 0.000 0.623 309 A CB -0.722 18.408 19.000 0.217 0.000 0.818 309 A HN 0.415 8.565 8.150 -0.000 0.000 0.443 310 L N 0.057 121.441 121.223 0.269 0.000 1.989 310 L HA -0.175 4.165 4.340 0.001 0.000 0.211 310 L C 2.296 179.283 176.870 0.195 0.000 1.071 310 L CA 2.384 57.359 54.840 0.224 0.000 0.749 310 L CB -0.561 41.536 42.059 0.064 0.000 0.890 310 L HN 0.351 8.581 8.230 -0.000 0.000 0.431 311 K N -0.471 119.999 120.400 0.117 0.000 2.026 311 K HA -0.112 4.208 4.320 0.001 0.000 0.208 311 K C 2.055 178.711 176.600 0.094 0.000 1.048 311 K CA 1.369 57.696 56.287 0.067 0.000 0.929 311 K CB -0.526 32.000 32.500 0.044 0.000 0.713 311 K HN 0.472 8.722 8.250 -0.000 0.000 0.439 312 A N 1.053 123.958 122.820 0.143 0.000 1.978 312 A HA -0.199 4.121 4.320 0.001 0.000 0.220 312 A C 1.895 179.613 177.584 0.223 0.000 1.170 312 A CA 1.444 53.574 52.037 0.154 0.000 0.636 312 A CB -0.714 18.382 19.000 0.160 0.000 0.810 312 A HN 0.614 8.764 8.150 -0.000 0.000 0.448 313 W N 0.071 121.420 121.300 0.082 0.000 2.444 313 W HA 0.210 4.870 4.660 0.001 0.000 0.308 313 W C 1.487 178.048 176.519 0.070 0.000 1.183 313 W CA 1.504 58.915 57.345 0.110 0.000 1.340 313 W CB -0.736 28.824 29.460 0.167 0.000 1.138 313 W HN 0.716 8.896 8.180 -0.000 0.000 0.510 314 G N 0.325 108.966 108.800 -0.266 0.000 2.341 314 G HA2 -0.072 3.889 3.960 0.001 0.000 0.292 314 G HA3 -0.072 3.889 3.960 0.001 0.000 0.292 314 G C 1.267 175.636 174.900 -0.885 0.000 1.021 314 G CA 1.115 45.924 45.100 -0.485 0.000 0.905 314 G HN 1.581 9.871 8.290 -0.000 0.000 0.508 315 G N -1.538 106.052 108.800 -2.016 0.000 2.196 315 G HA2 -0.335 3.625 3.960 0.001 0.000 0.268 315 G HA3 -0.335 3.625 3.960 0.001 0.000 0.268 315 G C 0.573 175.049 174.900 -0.706 0.000 0.975 315 G CA 1.193 45.310 45.100 -1.639 0.000 0.648 315 G HN 0.951 9.241 8.290 -0.000 0.000 0.538 316 K N 0.558 120.645 120.400 -0.522 0.000 2.258 316 K HA 0.368 4.689 4.320 0.001 0.000 0.284 316 K C 1.213 177.916 176.600 0.172 0.000 1.051 316 K CA -0.679 55.543 56.287 -0.109 0.000 0.923 316 K CB 1.388 33.851 32.500 -0.062 0.000 1.046 316 K HN -0.004 8.246 8.250 -0.000 0.000 0.474 317 K N 2.278 122.731 120.400 0.089 0.000 2.097 317 K HA -0.156 4.164 4.320 0.001 0.000 0.206 317 K C 1.149 177.892 176.600 0.239 0.000 1.049 317 K CA 1.548 57.908 56.287 0.121 0.000 0.933 317 K CB 0.217 32.696 32.500 -0.036 0.000 0.717 317 K HN 0.503 8.753 8.250 -0.000 0.000 0.442 318 E N 0.426 120.720 120.200 0.156 0.000 2.418 318 E HA -0.042 4.309 4.350 0.001 0.000 0.197 318 E C 0.920 177.626 176.600 0.177 0.000 1.026 318 E CA 0.477 56.963 56.400 0.144 0.000 0.862 318 E CB -0.185 29.567 29.700 0.086 0.000 0.799 318 E HN 0.373 8.733 8.360 -0.000 0.000 0.518 319 N N 0.200 119.047 118.700 0.246 0.000 2.322 319 N HA 0.009 4.749 4.740 0.001 0.000 0.194 319 N C 1.224 176.929 175.510 0.325 0.000 1.126 319 N CA -0.219 52.990 53.050 0.264 0.000 0.845 319 N CB 0.200 38.849 38.487 0.269 0.000 0.976 319 N HN 0.072 8.452 8.380 -0.000 0.000 0.475 320 L N 1.913 123.337 121.223 0.335 0.000 1.971 320 L HA -0.224 4.116 4.340 0.001 0.000 0.215 320 L C 2.244 179.192 176.870 0.130 0.000 1.072 320 L CA 1.978 56.961 54.840 0.238 0.000 0.758 320 L CB -0.394 41.808 42.059 0.239 0.000 0.889 320 L HN -0.125 8.105 8.230 -0.000 0.000 0.433 321 K N -0.381 120.092 120.400 0.121 0.000 2.026 321 K HA -0.041 4.280 4.320 0.001 0.000 0.208 321 K C 2.035 178.690 176.600 0.092 0.000 1.048 321 K CA 1.601 57.940 56.287 0.086 0.000 0.929 321 K CB -0.704 31.842 32.500 0.077 0.000 0.713 321 K HN 0.497 8.747 8.250 -0.000 0.000 0.439 322 A N 0.286 123.173 122.820 0.111 0.000 1.902 322 A HA -0.055 4.265 4.320 0.001 0.000 0.217 322 A C 2.320 179.980 177.584 0.126 0.000 1.181 322 A CA 1.973 54.074 52.037 0.108 0.000 0.623 322 A CB -0.957 18.109 19.000 0.110 0.000 0.818 322 A HN 0.369 8.519 8.150 -0.000 0.000 0.443 323 A N -0.652 122.267 122.820 0.165 0.000 1.877 323 A HA -0.220 4.101 4.320 0.001 0.000 0.216 323 A C 2.119 179.788 177.584 0.142 0.000 1.186 323 A CA 1.657 53.806 52.037 0.187 0.000 0.620 323 A CB -0.623 18.532 19.000 0.258 0.000 0.822 323 A HN 0.636 8.786 8.150 -0.000 0.000 0.443 324 Q N -1.164 118.695 119.800 0.100 0.000 2.170 324 Q HA -0.225 4.116 4.340 0.001 0.000 0.203 324 Q C 2.051 178.123 176.000 0.121 0.000 0.976 324 Q CA 1.528 57.394 55.803 0.106 0.000 0.858 324 Q CB -0.130 28.641 28.738 0.054 0.000 0.907 324 Q HN 0.713 8.983 8.270 -0.000 0.000 0.433 325 E N 0.882 121.135 120.200 0.088 0.000 2.110 325 E HA -0.194 4.156 4.350 0.001 0.000 0.193 325 E C 1.679 178.315 176.600 0.060 0.000 0.988 325 E CA 1.110 57.546 56.400 0.059 0.000 0.804 325 E CB 0.122 29.855 29.700 0.056 0.000 0.745 325 E HN 0.219 8.579 8.360 -0.000 0.000 0.458 326 E N -0.579 119.679 120.200 0.096 0.000 2.072 326 E HA -0.184 4.167 4.350 0.001 0.000 0.191 326 E C 1.954 178.622 176.600 0.113 0.000 0.985 326 E CA 0.994 57.452 56.400 0.097 0.000 0.801 326 E CB -0.597 29.174 29.700 0.119 0.000 0.750 326 E HN 0.437 8.797 8.360 -0.000 0.000 0.452 327 Y N 1.641 121.950 120.300 0.016 0.000 2.163 327 Y HA -0.174 4.377 4.550 0.001 0.000 0.288 327 Y C 2.219 178.112 175.900 -0.013 0.000 1.136 327 Y CA 0.922 59.021 58.100 -0.001 0.000 1.147 327 Y CB -0.524 37.922 38.460 -0.025 0.000 0.987 327 Y HN -0.208 8.072 8.280 -0.000 0.000 0.509 328 V N 1.211 120.984 119.914 -0.234 0.000 2.332 328 V HA -0.350 3.771 4.120 0.001 0.000 0.248 328 V C 2.373 178.334 176.094 -0.222 0.000 1.055 328 V CA 2.443 64.553 62.300 -0.317 0.000 1.038 328 V CB -0.646 31.100 31.823 -0.130 0.000 0.651 328 V HN 0.360 8.550 8.190 -0.000 0.000 0.450 329 K N -0.556 119.776 120.400 -0.112 0.000 2.103 329 K HA -0.165 4.155 4.320 0.001 0.000 0.207 329 K C 2.388 178.919 176.600 -0.115 0.000 1.048 329 K CA 1.129 57.371 56.287 -0.075 0.000 0.930 329 K CB -0.187 32.302 32.500 -0.018 0.000 0.716 329 K HN 0.255 8.505 8.250 -0.000 0.000 0.444 330 R N 0.282 120.703 120.500 -0.132 0.000 2.115 330 R HA 0.045 4.386 4.340 0.001 0.000 0.226 330 R C 2.145 178.284 176.300 -0.268 0.000 1.100 330 R CA 1.119 57.123 56.100 -0.161 0.000 0.980 330 R CB -0.925 29.337 30.300 -0.062 0.000 0.875 330 R HN 0.211 8.481 8.270 -0.000 0.000 0.445 331 A N 1.155 123.776 122.820 -0.332 0.000 1.877 331 A HA -0.107 4.213 4.320 0.001 0.000 0.216 331 A C 2.316 179.756 177.584 -0.241 0.000 1.186 331 A CA 1.215 53.051 52.037 -0.334 0.000 0.620 331 A CB -0.607 18.097 19.000 -0.493 0.000 0.822 331 A HN 0.198 8.348 8.150 -0.000 0.000 0.443 332 L N -0.825 120.278 121.223 -0.200 0.000 2.056 332 L HA -0.171 4.169 4.340 0.001 0.000 0.207 332 L C 3.112 179.889 176.870 -0.156 0.000 1.078 332 L CA 1.032 55.796 54.840 -0.126 0.000 0.749 332 L CB -0.604 41.408 42.059 -0.078 0.000 0.901 332 L HN 0.431 8.661 8.230 -0.000 0.000 0.433 333 A N 0.334 123.009 122.820 -0.242 0.000 1.883 333 A HA -0.212 4.109 4.320 0.001 0.000 0.217 333 A C 2.057 179.272 177.584 -0.615 0.000 1.186 333 A CA 1.966 53.710 52.037 -0.488 0.000 0.624 333 A CB -0.585 18.063 19.000 -0.586 0.000 0.822 333 A HN 0.457 8.607 8.150 -0.000 0.000 0.444 334 N N -0.323 118.044 118.700 -0.555 0.000 2.396 334 N HA -0.078 4.663 4.740 0.001 0.000 0.180 334 N C 1.877 177.197 175.510 -0.317 0.000 1.028 334 N CA 1.185 53.848 53.050 -0.645 0.000 0.893 334 N CB -0.153 37.551 38.487 -1.305 0.000 0.967 334 N HN 0.502 8.882 8.380 -0.000 0.000 0.440 335 S N 0.817 116.430 115.700 -0.146 0.000 2.387 335 S HA 0.084 4.555 4.470 0.001 0.000 0.226 335 S C 1.980 176.610 174.600 0.050 0.000 1.026 335 S CA 0.418 58.667 58.200 0.082 0.000 0.972 335 S CB -0.012 63.219 63.200 0.051 0.000 0.814 335 S HN 0.189 8.499 8.310 -0.000 0.000 0.477 336 L N 0.972 122.193 121.223 -0.003 0.000 2.072 336 L HA 0.020 4.361 4.340 0.001 0.000 0.205 336 L C 2.983 179.900 176.870 0.079 0.000 1.079 336 L CA 1.134 56.010 54.840 0.060 0.000 0.752 336 L CB -0.702 41.437 42.059 0.134 0.000 0.906 336 L HN 0.402 8.632 8.230 -0.000 0.000 0.436 337 A N 0.072 122.895 122.820 0.006 0.000 1.933 337 A HA -0.260 4.061 4.320 0.001 0.000 0.218 337 A C 2.354 179.996 177.584 0.097 0.000 1.175 337 A CA 1.685 53.750 52.037 0.046 0.000 0.628 337 A CB -1.170 17.780 19.000 -0.083 0.000 0.814 337 A HN 0.717 8.867 8.150 -0.000 0.000 0.444 338 C N -1.550 117.825 119.300 0.125 0.000 2.511 338 C HA 0.194 4.654 4.460 0.001 0.000 0.277 338 C C 1.628 176.688 174.990 0.117 0.000 1.451 338 C CA 0.568 59.684 59.018 0.163 0.000 1.735 338 C CB -1.636 26.239 27.740 0.224 0.000 1.704 338 C HN 0.624 8.854 8.230 -0.000 0.000 0.571 339 Q N 0.177 120.036 119.800 0.099 0.000 2.164 339 Q HA 0.290 4.630 4.340 0.001 0.000 0.226 339 Q C 1.430 177.477 176.000 0.079 0.000 0.813 339 Q CA 0.412 56.263 55.803 0.079 0.000 0.978 339 Q CB 0.825 29.602 28.738 0.066 0.000 1.149 339 Q HN 0.715 8.985 8.270 -0.000 0.000 0.489 340 G N 2.252 111.108 108.800 0.094 0.000 2.179 340 G HA2 -0.317 3.643 3.960 0.001 0.000 0.257 340 G HA3 -0.317 3.643 3.960 0.001 0.000 0.257 340 G C 0.389 175.341 174.900 0.086 0.000 1.010 340 G CA 0.596 45.750 45.100 0.090 0.000 0.736 340 G HN 0.286 8.576 8.290 -0.000 0.000 0.513 341 K N -0.837 119.623 120.400 0.101 0.000 2.514 341 K HA 0.261 4.582 4.320 0.001 0.000 0.207 341 K C -0.144 176.536 176.600 0.135 0.000 1.035 341 K CA -0.561 55.780 56.287 0.091 0.000 1.113 341 K CB 0.743 33.287 32.500 0.072 0.000 0.846 341 K HN 0.361 8.611 8.250 -0.000 0.000 0.491 342 Y N 2.064 122.364 120.300 -0.000 0.000 2.335 342 Y HA 0.171 4.721 4.550 0.001 0.000 0.339 342 Y C -0.420 175.470 175.900 -0.017 0.000 0.987 342 Y CA -0.633 57.460 58.100 -0.013 0.000 1.140 342 Y CB 1.085 39.532 38.460 -0.022 0.000 1.173 342 Y HN 0.016 8.296 8.280 -0.000 0.000 0.486 343 T N 6.609 120.872 114.554 -0.485 0.000 3.135 343 T HA 0.411 4.761 4.350 0.001 0.000 0.357 343 T C -2.558 171.843 174.700 -0.499 0.000 1.112 343 T CA -1.285 60.565 62.100 -0.417 0.000 1.290 343 T CB 0.628 69.388 68.868 -0.179 0.000 1.018 343 T HN 0.497 8.737 8.240 -0.000 0.000 0.527 344 P HA 0.448 4.868 4.420 -0.000 0.000 0.286 344 P C -0.536 176.642 177.300 -0.203 0.000 1.293 344 P CA -0.559 62.291 63.100 -0.418 0.000 0.770 344 P CB 0.709 32.179 31.700 -0.383 0.000 1.206 345 S N -0.741 114.888 115.700 -0.118 0.000 2.466 345 S HA 0.634 5.104 4.470 0.001 0.000 0.313 345 S C 0.247 174.822 174.600 -0.042 0.000 1.078 345 S CA -0.256 57.903 58.200 -0.068 0.000 1.115 345 S CB 0.202 63.375 63.200 -0.046 0.000 1.006 345 S HN 0.873 9.183 8.310 -0.000 0.000 0.487 355 S N 2.318 118.062 115.700 0.074 0.000 2.497 355 S HA 0.101 4.571 4.470 0.001 0.000 0.176 355 S C 0.729 175.362 174.600 0.054 0.000 1.445 355 S CA -0.379 57.880 58.200 0.098 0.000 1.092 355 S CB 0.285 63.534 63.200 0.082 0.000 1.216 355 S HN 0.490 8.800 8.310 -0.000 0.000 0.486 356 L N 1.585 122.796 121.223 -0.019 0.000 2.131 356 L HA 0.262 4.603 4.340 0.001 0.000 0.206 356 L C 1.068 177.796 176.870 -0.235 0.000 1.087 356 L CA 1.862 56.591 54.840 -0.185 0.000 0.767 356 L CB -0.450 41.354 42.059 -0.425 0.000 0.917 356 L HN 0.504 8.734 8.230 -0.000 0.000 0.441 357 F N -0.663 119.311 119.950 0.041 0.000 2.816 357 F HA 0.038 4.566 4.527 0.001 0.000 0.302 357 F C 1.652 177.457 175.800 0.009 0.000 1.178 357 F CA 0.145 58.152 58.000 0.011 0.000 1.421 357 F CB -0.180 38.821 39.000 0.001 0.000 1.114 357 F HN 0.078 8.378 8.300 -0.000 0.000 0.573 358 I N -1.606 119.055 120.570 0.152 0.000 4.139 358 I HA 0.042 4.212 4.170 0.001 0.000 0.320 358 I C 1.385 177.593 176.117 0.151 0.000 1.290 358 I CA 0.349 61.734 61.300 0.141 0.000 1.253 358 I CB -0.907 37.154 38.000 0.101 0.000 1.122 358 I HN 0.010 8.220 8.210 -0.000 0.000 0.421 359 S N 2.185 117.936 115.700 0.085 0.000 2.617 359 S HA -0.010 4.461 4.470 0.001 0.000 0.259 359 S C 1.066 175.714 174.600 0.081 0.000 1.301 359 S CA 0.152 58.360 58.200 0.013 0.000 0.984 359 S CB 0.177 63.339 63.200 -0.063 0.000 0.954 359 S HN 0.454 8.764 8.310 -0.000 0.000 0.572 360 N N -0.602 118.035 118.700 -0.106 0.000 2.573 360 N HA -0.108 4.632 4.740 0.001 0.000 0.187 360 N C 1.015 176.556 175.510 0.053 0.000 1.107 360 N CA 1.052 54.083 53.050 -0.033 0.000 0.918 360 N CB -0.766 37.602 38.487 -0.197 0.000 0.966 360 N HN 0.816 9.196 8.380 -0.000 0.000 0.448 361 H N -0.924 118.205 119.070 0.099 0.000 2.529 361 H HA 0.261 4.818 4.556 0.001 0.000 0.277 361 H C 1.339 176.681 175.328 0.022 0.000 0.999 361 H CA 0.579 56.647 56.048 0.033 0.000 1.256 361 H CB 0.299 30.039 29.762 -0.038 0.000 1.402 361 H HN 0.477 8.757 8.280 -0.000 0.000 0.566 362 A N -0.138 122.762 122.820 0.133 0.000 2.370 362 A HA 0.180 4.500 4.320 0.001 0.000 0.238 362 A C -0.493 176.968 177.584 -0.206 0.000 1.289 362 A CA -0.054 51.965 52.037 -0.030 0.000 0.885 362 A CB -0.254 18.703 19.000 -0.071 0.000 0.961 362 A HN 0.234 8.384 8.150 -0.000 0.000 0.499 363 Y N 0.000 120.320 120.300 0.033 0.000 2.660 363 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 363 Y CA 0.000 58.113 58.100 0.022 0.000 1.940 363 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 363 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758