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 3fw3_1_B DATA FIRST_RESID 4 DATA SEQUENCE HWCYEVQLVP VKWXXXGGNc QKDRQSPINI VTTKAKVDKK LGRFFFGYDK DATA SEQUENCE KQTWTVQNNG HSVMMLLENX XXKASISGGG LPAPYQAKQL HLHWSDLPYK DATA SEQUENCE GSEHSLDGEH FAMEMHIVHE KEXXXXXXXE AQDPEDEIAV LAFLVEATQV DATA SEQUENCE NEGFQPLVEA LSNIPKPEMS TTMAESSLLD LLPEKRHYFR YLGSLTTPTc DATA SEQUENCE DEKVVWTVFR EPIQLHREQI LAFQKLYYDK XXEQTVSMKD NVRPLQQLGQ DATA SEQUENCE RTVIKS 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 4 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 4 H C 0.000 175.372 175.328 0.072 0.000 0.993 4 H CA 0.000 56.055 56.048 0.011 0.000 1.023 4 H CB 0.000 29.738 29.762 -0.040 0.000 1.292 5 W N 2.269 123.594 121.300 0.041 0.000 2.647 5 W HA 0.666 5.314 4.660 -0.020 0.000 0.353 5 W C -0.615 175.921 176.519 0.028 0.000 1.080 5 W CA -0.966 56.347 57.345 -0.053 0.000 1.208 5 W CB 1.189 30.366 29.460 -0.471 0.000 1.396 5 W HN 0.739 8.919 8.180 -0.000 0.000 0.573 6 C N 0.133 119.658 119.300 0.376 0.000 3.318 6 C HA 0.669 5.121 4.460 -0.015 0.000 0.322 6 C C -0.901 174.296 174.990 0.344 0.000 1.398 6 C CA -1.100 58.001 59.018 0.139 0.000 1.339 6 C CB 1.047 28.790 27.740 0.006 0.000 1.668 6 C HN 0.718 8.948 8.230 -0.000 0.000 0.462 7 Y N -0.005 120.493 120.300 0.330 0.000 2.316 7 Y HA 0.386 4.923 4.550 -0.021 0.000 0.324 7 Y C 2.084 178.042 175.900 0.096 0.000 1.267 7 Y CA 0.998 59.264 58.100 0.277 0.000 1.311 7 Y CB 0.653 39.259 38.460 0.243 0.000 1.267 7 Y HN 0.877 9.157 8.280 -0.000 0.000 0.516 8 E N 0.560 120.893 120.200 0.222 0.000 2.114 8 E HA -0.202 4.139 4.350 -0.015 0.000 0.199 8 E C 2.077 178.725 176.600 0.079 0.000 1.008 8 E CA 1.624 58.080 56.400 0.093 0.000 0.810 8 E CB -0.530 29.197 29.700 0.046 0.000 0.739 8 E HN 0.614 8.974 8.360 -0.000 0.000 0.456 9 V N 0.181 120.156 119.914 0.101 0.000 2.720 9 V HA -0.236 3.875 4.120 -0.015 0.000 0.256 9 V C 2.065 178.186 176.094 0.046 0.000 1.082 9 V CA 2.421 64.767 62.300 0.078 0.000 1.101 9 V CB -0.340 31.550 31.823 0.111 0.000 0.693 9 V HN 0.524 8.714 8.190 -0.000 0.000 0.479 10 Q N -0.144 119.649 119.800 -0.010 0.000 1.714 10 Q HA 0.204 4.535 4.340 -0.015 0.000 0.383 10 Q C 0.514 176.500 176.000 -0.024 0.000 0.936 10 Q CA 0.009 55.761 55.803 -0.085 0.000 0.888 10 Q CB -0.299 28.286 28.738 -0.255 0.000 0.973 10 Q HN 0.442 8.712 8.270 -0.000 0.000 0.420 11 L N 3.363 124.722 121.223 0.225 0.000 2.747 11 L HA -0.091 4.240 4.340 -0.015 0.000 0.286 11 L C 0.275 177.391 176.870 0.410 0.000 1.216 11 L CA -0.504 54.508 54.840 0.285 0.000 0.930 11 L CB -0.619 41.635 42.059 0.325 0.000 1.216 11 L HN 0.195 8.425 8.230 -0.000 0.000 0.486 12 V N 2.322 122.371 119.914 0.225 0.000 3.133 12 V HA 0.188 4.300 4.120 -0.015 0.000 0.305 12 V C -1.535 174.403 176.094 -0.260 0.000 1.084 12 V CA -1.300 61.061 62.300 0.102 0.000 1.089 12 V CB 0.518 32.350 31.823 0.017 0.000 1.073 12 V HN 0.506 8.696 8.190 -0.000 0.000 0.477 13 P HA -0.170 4.250 4.420 -0.000 0.000 0.216 13 P C 1.655 178.429 177.300 -0.877 0.000 1.154 13 P CA 2.320 64.459 63.100 -1.602 0.000 0.865 13 P CB -0.206 30.881 31.700 -1.022 0.000 0.789 14 V N -2.943 116.720 119.914 -0.419 0.000 2.970 14 V HA -0.068 4.043 4.120 -0.015 0.000 0.260 14 V C 1.425 177.443 176.094 -0.125 0.000 1.100 14 V CA 1.522 63.687 62.300 -0.226 0.000 1.122 14 V CB -1.223 30.516 31.823 -0.140 0.000 0.721 14 V HN 0.100 8.290 8.190 -0.000 0.000 0.483 15 K N -1.256 119.090 120.400 -0.091 0.000 2.373 15 K HA 0.176 4.487 4.320 -0.015 0.000 0.202 15 K C 0.300 177.007 176.600 0.178 0.000 1.025 15 K CA -0.542 55.770 56.287 0.041 0.000 1.115 15 K CB 0.146 32.683 32.500 0.061 0.000 0.858 15 K HN 0.435 8.685 8.250 -0.000 0.000 0.525 21 G N 0.590 109.387 108.800 -0.005 0.000 2.634 21 G HA2 -0.336 3.616 3.960 -0.015 0.000 0.309 21 G HA3 -0.336 3.616 3.960 -0.015 0.000 0.309 21 G C 0.716 175.616 174.900 -0.001 0.000 1.265 21 G CA 0.949 46.037 45.100 -0.020 0.000 0.998 21 G HN 1.159 9.449 8.290 -0.000 0.000 0.551 22 N N 0.090 118.787 118.700 -0.005 0.000 2.270 22 N HA 0.051 4.783 4.740 -0.015 0.000 0.198 22 N C 1.706 177.235 175.510 0.032 0.000 1.117 22 N CA 0.848 53.905 53.050 0.013 0.000 0.845 22 N CB -0.096 38.397 38.487 0.009 0.000 0.980 22 N HN 0.472 8.852 8.380 -0.000 0.000 0.486 23 c N 0.743 119.372 118.600 0.049 0.000 2.437 23 c HA 0.015 4.577 4.570 -0.015 0.000 0.283 23 c C 1.819 175.950 174.090 0.069 0.000 1.424 23 c CA 0.404 56.791 56.329 0.097 0.000 1.782 23 c CB -0.501 42.133 42.510 0.207 0.000 1.833 23 c HN 0.395 8.625 8.230 -0.000 0.000 0.532 24 Q N 0.632 120.460 119.800 0.046 0.000 2.220 24 Q HA 0.208 4.539 4.340 -0.015 0.000 0.205 24 Q C 0.648 176.659 176.000 0.018 0.000 0.865 24 Q CA 0.240 56.058 55.803 0.024 0.000 0.960 24 Q CB 0.219 28.969 28.738 0.021 0.000 1.097 24 Q HN 0.695 8.965 8.270 -0.000 0.000 0.493 25 K N 0.449 120.864 120.400 0.025 0.000 2.583 25 K HA 0.131 4.443 4.320 -0.015 0.000 0.266 25 K C 0.193 176.807 176.600 0.023 0.000 1.037 25 K CA -0.415 55.886 56.287 0.023 0.000 0.996 25 K CB 0.462 32.979 32.500 0.028 0.000 1.307 25 K HN -0.183 8.067 8.250 -0.000 0.000 0.502 26 D N 0.145 120.560 120.400 0.026 0.000 2.433 26 D HA 0.082 4.713 4.640 -0.015 0.000 0.211 26 D C -0.077 176.245 176.300 0.037 0.000 1.114 26 D CA 0.350 54.364 54.000 0.024 0.000 0.837 26 D CB 0.488 41.299 40.800 0.020 0.000 0.984 26 D HN 0.225 8.595 8.370 -0.000 0.000 0.505 27 R N 0.800 121.333 120.500 0.055 0.000 2.772 27 R HA 0.205 4.537 4.340 -0.015 0.000 0.358 27 R C -0.062 176.306 176.300 0.113 0.000 1.143 27 R CA -0.415 55.737 56.100 0.087 0.000 1.153 27 R CB 0.984 31.338 30.300 0.090 0.000 1.329 27 R HN -0.076 8.194 8.270 -0.000 0.000 0.615 28 Q N 0.372 120.224 119.800 0.087 0.000 2.256 28 Q HA 0.407 4.738 4.340 -0.015 0.000 0.232 28 Q C -0.100 175.956 176.000 0.092 0.000 0.965 28 Q CA 0.041 55.898 55.803 0.089 0.000 0.908 28 Q CB 1.916 30.681 28.738 0.046 0.000 1.209 28 Q HN 0.092 8.362 8.270 -0.000 0.000 0.489 29 S N 1.262 117.007 115.700 0.076 0.000 2.599 29 S HA 0.660 5.121 4.470 -0.015 0.000 0.294 29 S C -2.425 172.095 174.600 -0.133 0.000 1.094 29 S CA -1.129 57.037 58.200 -0.057 0.000 0.931 29 S CB 2.145 65.304 63.200 -0.068 0.000 1.093 29 S HN 0.426 8.736 8.310 -0.000 0.000 0.488 30 P HA 0.578 4.998 4.420 -0.000 0.000 0.279 30 P C -0.928 176.077 177.300 -0.491 0.000 1.276 30 P CA -0.640 62.023 63.100 -0.729 0.000 0.801 30 P CB 0.453 31.603 31.700 -0.917 0.000 1.127 31 I N -3.690 116.529 120.570 -0.585 0.000 3.042 31 I HA 0.597 4.758 4.170 -0.015 0.000 0.310 31 I C -0.631 175.300 176.117 -0.310 0.000 1.117 31 I CA -1.393 59.680 61.300 -0.380 0.000 1.003 31 I CB 2.007 39.739 38.000 -0.447 0.000 1.228 31 I HN 0.056 8.266 8.210 -0.000 0.000 0.443 32 N N 2.586 121.140 118.700 -0.242 0.000 2.488 32 N HA 0.443 5.175 4.740 -0.015 0.000 0.274 32 N C -1.205 174.155 175.510 -0.251 0.000 1.111 32 N CA -0.261 52.660 53.050 -0.216 0.000 0.974 32 N CB 0.768 39.159 38.487 -0.160 0.000 1.089 32 N HN 0.625 9.005 8.380 -0.000 0.000 0.465 33 I N 3.623 124.025 120.570 -0.280 0.000 2.307 33 I HA 0.178 4.340 4.170 -0.015 0.000 0.289 33 I C -0.410 175.518 176.117 -0.315 0.000 1.021 33 I CA -1.029 60.054 61.300 -0.362 0.000 1.224 33 I CB 1.290 38.956 38.000 -0.556 0.000 1.376 33 I HN 0.240 8.450 8.210 -0.000 0.000 0.470 34 V N 6.109 125.885 119.914 -0.230 0.000 2.372 34 V HA 0.002 4.113 4.120 -0.015 0.000 0.261 34 V C 1.481 177.490 176.094 -0.142 0.000 1.055 34 V CA -0.019 62.186 62.300 -0.158 0.000 0.930 34 V CB 0.613 32.374 31.823 -0.103 0.000 1.031 34 V HN 0.931 9.121 8.190 -0.000 0.000 0.479 35 T N 0.974 115.449 114.554 -0.132 0.000 2.788 35 T HA -0.209 4.133 4.350 -0.015 0.000 0.268 35 T C 1.839 176.575 174.700 0.059 0.000 1.044 35 T CA 1.745 63.830 62.100 -0.026 0.000 1.139 35 T CB -0.468 68.446 68.868 0.078 0.000 0.867 35 T HN 0.734 8.974 8.240 -0.000 0.000 0.454 36 T N -0.019 114.544 114.554 0.016 0.000 2.995 36 T HA 0.098 4.439 4.350 -0.015 0.000 0.269 36 T C 1.749 176.457 174.700 0.014 0.000 1.091 36 T CA 0.596 62.707 62.100 0.019 0.000 1.128 36 T CB -0.351 68.519 68.868 0.003 0.000 0.891 36 T HN 0.463 8.703 8.240 -0.000 0.000 0.492 37 K N 1.187 121.586 120.400 -0.001 0.000 2.393 37 K HA 0.448 4.759 4.320 -0.015 0.000 0.193 37 K C 0.751 177.359 176.600 0.013 0.000 1.026 37 K CA 0.005 56.289 56.287 -0.005 0.000 1.064 37 K CB 0.320 32.804 32.500 -0.028 0.000 0.833 37 K HN 0.408 8.658 8.250 -0.000 0.000 0.521 38 A N 1.879 124.726 122.820 0.045 0.000 2.354 38 A HA 0.131 4.442 4.320 -0.015 0.000 0.281 38 A C -0.192 177.438 177.584 0.078 0.000 1.174 38 A CA -0.440 51.651 52.037 0.091 0.000 0.828 38 A CB 0.320 19.448 19.000 0.214 0.000 1.099 38 A HN -0.057 8.093 8.150 -0.000 0.000 0.516 39 K N 1.803 122.235 120.400 0.053 0.000 2.322 39 K HA 0.310 4.621 4.320 -0.015 0.000 0.283 39 K C 0.090 176.698 176.600 0.013 0.000 1.042 39 K CA -0.475 55.829 56.287 0.028 0.000 0.958 39 K CB 1.157 33.670 32.500 0.021 0.000 0.984 39 K HN 0.553 8.803 8.250 -0.000 0.000 0.473 40 V N 2.850 122.761 119.914 -0.003 0.000 2.655 40 V HA 0.087 4.198 4.120 -0.015 0.000 0.300 40 V C 0.432 176.504 176.094 -0.037 0.000 1.044 40 V CA 0.093 62.373 62.300 -0.033 0.000 1.095 40 V CB 0.840 32.645 31.823 -0.031 0.000 0.952 40 V HN 0.845 9.035 8.190 -0.000 0.000 0.485 41 D N 3.455 123.817 120.400 -0.064 0.000 2.542 41 D HA 0.237 4.869 4.640 -0.015 0.000 0.252 41 D C 0.483 176.733 176.300 -0.083 0.000 1.222 41 D CA -0.570 53.395 54.000 -0.057 0.000 0.895 41 D CB 1.925 42.698 40.800 -0.045 0.000 1.207 41 D HN 0.191 8.561 8.370 -0.000 0.000 0.558 42 K N 2.040 122.402 120.400 -0.063 0.000 2.486 42 K HA 0.063 4.374 4.320 -0.015 0.000 0.194 42 K C 1.400 177.960 176.600 -0.067 0.000 1.033 42 K CA 0.571 56.816 56.287 -0.070 0.000 1.004 42 K CB -0.048 32.424 32.500 -0.047 0.000 0.798 42 K HN 0.466 8.716 8.250 -0.000 0.000 0.495 43 K N 0.355 120.720 120.400 -0.058 0.000 2.426 43 K HA 0.210 4.521 4.320 -0.015 0.000 0.193 43 K C 0.326 176.888 176.600 -0.063 0.000 1.028 43 K CA 0.137 56.395 56.287 -0.049 0.000 1.047 43 K CB 0.068 32.548 32.500 -0.033 0.000 0.821 43 K HN 0.197 8.447 8.250 -0.000 0.000 0.513 44 L N 2.487 123.657 121.223 -0.088 0.000 2.505 44 L HA 0.084 4.416 4.340 -0.015 0.000 0.279 44 L C 0.837 177.642 176.870 -0.107 0.000 1.211 44 L CA -0.591 54.193 54.840 -0.093 0.000 1.059 44 L CB -0.281 41.667 42.059 -0.185 0.000 1.340 44 L HN 0.137 8.367 8.230 -0.000 0.000 0.447 45 G N 2.879 111.626 108.800 -0.090 0.000 2.525 45 G HA2 0.402 4.353 3.960 -0.015 0.000 0.287 45 G HA3 0.402 4.353 3.960 -0.015 0.000 0.287 45 G C -0.063 174.748 174.900 -0.149 0.000 1.350 45 G CA -0.828 44.208 45.100 -0.106 0.000 1.039 45 G HN 0.697 8.987 8.290 -0.000 0.000 0.513 46 R N -1.547 118.824 120.500 -0.214 0.000 2.694 46 R HA 0.285 4.616 4.340 -0.015 0.000 0.268 46 R C -1.014 174.897 176.300 -0.648 0.000 1.061 46 R CA -0.353 55.561 56.100 -0.310 0.000 1.133 46 R CB 0.352 30.443 30.300 -0.349 0.000 1.020 46 R HN 0.199 8.469 8.270 -0.000 0.000 0.475 47 F N 1.160 120.798 119.950 -0.520 0.000 2.389 47 F HA 0.295 4.813 4.527 -0.015 0.000 0.337 47 F C -0.091 175.096 175.800 -1.022 0.000 1.112 47 F CA -0.114 57.451 58.000 -0.725 0.000 1.192 47 F CB 0.730 39.244 39.000 -0.810 0.000 1.185 47 F HN 0.329 8.629 8.300 -0.000 0.000 0.552 48 F N 2.734 122.506 119.950 -0.296 0.000 2.467 48 F HA 0.485 5.004 4.527 -0.014 0.000 0.336 48 F C -0.435 175.124 175.800 -0.401 0.000 1.123 48 F CA -0.956 56.907 58.000 -0.228 0.000 0.964 48 F CB 0.794 39.740 39.000 -0.089 0.000 1.136 48 F HN 0.187 8.487 8.300 -0.000 0.000 0.447 49 F N -0.189 119.817 119.950 0.092 0.000 2.450 49 F HA 0.527 5.045 4.527 -0.015 0.000 0.361 49 F C 1.701 177.581 175.800 0.132 0.000 1.092 49 F CA -0.512 57.453 58.000 -0.059 0.000 1.105 49 F CB 0.043 38.800 39.000 -0.404 0.000 1.458 49 F HN 0.608 8.908 8.300 -0.000 0.000 0.496 50 G N -0.650 108.337 108.800 0.312 0.000 2.418 50 G HA2 -0.397 3.555 3.960 -0.015 0.000 0.320 50 G HA3 -0.397 3.555 3.960 -0.015 0.000 0.320 50 G C 1.026 176.103 174.900 0.295 0.000 1.013 50 G CA 1.568 46.827 45.100 0.265 0.000 0.687 50 G HN 0.604 8.894 8.290 -0.000 0.000 0.550 51 Y N 0.994 121.399 120.300 0.174 0.000 2.439 51 Y HA 0.024 4.565 4.550 -0.015 0.000 0.292 51 Y C 2.480 178.415 175.900 0.058 0.000 1.130 51 Y CA 1.443 59.606 58.100 0.106 0.000 1.254 51 Y CB 0.114 38.594 38.460 0.035 0.000 1.000 51 Y HN 0.498 8.778 8.280 -0.000 0.000 0.554 52 D N -0.579 119.949 120.400 0.215 0.000 2.354 52 D HA -0.031 4.601 4.640 -0.015 0.000 0.209 52 D C 0.521 176.873 176.300 0.087 0.000 1.015 52 D CA 0.124 54.196 54.000 0.120 0.000 0.867 52 D CB -0.311 40.552 40.800 0.106 0.000 0.933 52 D HN 0.081 8.451 8.370 -0.000 0.000 0.520 53 K N 1.191 121.648 120.400 0.096 0.000 2.322 53 K HA 0.065 4.376 4.320 -0.015 0.000 0.283 53 K C -0.082 176.526 176.600 0.012 0.000 1.042 53 K CA -0.556 55.757 56.287 0.043 0.000 0.958 53 K CB 0.619 33.140 32.500 0.034 0.000 0.984 53 K HN -0.262 7.988 8.250 -0.000 0.000 0.473 54 K N 4.060 124.442 120.400 -0.031 0.000 2.339 54 K HA 0.104 4.415 4.320 -0.015 0.000 0.286 54 K C -0.201 176.281 176.600 -0.198 0.000 1.050 54 K CA -0.029 56.215 56.287 -0.071 0.000 0.956 54 K CB 1.124 33.590 32.500 -0.056 0.000 0.990 54 K HN 0.609 8.859 8.250 -0.000 0.000 0.475 55 Q N 0.579 120.167 119.800 -0.354 0.000 2.484 55 Q HA 0.286 4.618 4.340 -0.015 0.000 0.285 55 Q C -0.460 175.185 176.000 -0.591 0.000 1.097 55 Q CA -0.715 54.685 55.803 -0.671 0.000 0.802 55 Q CB 2.155 29.982 28.738 -1.518 0.000 1.444 55 Q HN 0.620 8.890 8.270 -0.000 0.000 0.429 56 T N -1.785 112.484 114.554 -0.475 0.000 3.005 56 T HA 0.476 4.817 4.350 -0.015 0.000 0.323 56 T C -0.543 174.026 174.700 -0.218 0.000 1.131 56 T CA -0.591 61.346 62.100 -0.273 0.000 0.977 56 T CB -0.417 68.361 68.868 -0.150 0.000 1.055 56 T HN 0.312 8.552 8.240 -0.000 0.000 0.562 57 W N 1.930 123.199 121.300 -0.051 0.000 2.251 57 W HA 0.412 5.064 4.660 -0.013 0.000 0.329 57 W C 0.656 177.154 176.519 -0.035 0.000 1.234 57 W CA -0.816 56.501 57.345 -0.048 0.000 1.228 57 W CB 0.618 30.040 29.460 -0.064 0.000 1.135 57 W HN 0.364 8.544 8.180 -0.000 0.000 0.576 58 T N 2.572 117.264 114.554 0.230 0.000 2.851 58 T HA 0.303 4.644 4.350 -0.015 0.000 0.298 58 T C -0.641 174.134 174.700 0.126 0.000 0.977 58 T CA -0.353 61.828 62.100 0.134 0.000 1.126 58 T CB 0.936 69.865 68.868 0.101 0.000 0.916 58 T HN 0.304 8.544 8.240 -0.000 0.000 0.529 59 V N 4.807 124.771 119.914 0.084 0.000 2.656 59 V HA 0.634 4.745 4.120 -0.015 0.000 0.307 59 V C -1.300 174.828 176.094 0.058 0.000 1.051 59 V CA -0.665 61.673 62.300 0.063 0.000 0.893 59 V CB 1.863 33.711 31.823 0.041 0.000 0.999 59 V HN 0.997 9.187 8.190 -0.000 0.000 0.426 60 Q N 4.191 124.033 119.800 0.070 0.000 2.389 60 Q HA 0.500 4.831 4.340 -0.015 0.000 0.277 60 Q C -1.136 174.917 176.000 0.088 0.000 1.082 60 Q CA -0.869 54.976 55.803 0.070 0.000 0.810 60 Q CB 2.034 30.813 28.738 0.068 0.000 1.374 60 Q HN 0.616 8.886 8.270 -0.000 0.000 0.422 61 N N 1.984 120.731 118.700 0.078 0.000 2.406 61 N HA 0.030 4.761 4.740 -0.015 0.000 0.251 61 N C -0.466 175.088 175.510 0.075 0.000 1.069 61 N CA -0.114 52.991 53.050 0.092 0.000 0.947 61 N CB 0.694 39.229 38.487 0.080 0.000 1.111 61 N HN 0.769 9.149 8.380 -0.000 0.000 0.497 62 N N 3.066 121.819 118.700 0.089 0.000 2.235 62 N HA 0.144 4.875 4.740 -0.015 0.000 0.209 62 N C 0.985 176.457 175.510 -0.064 0.000 1.122 62 N CA 0.293 53.380 53.050 0.062 0.000 0.845 62 N CB -0.013 38.555 38.487 0.136 0.000 1.004 62 N HN 0.640 9.020 8.380 -0.000 0.000 0.499 63 G N -0.054 108.698 108.800 -0.080 0.000 2.176 63 G HA2 -0.303 3.649 3.960 -0.015 0.000 0.253 63 G HA3 -0.303 3.649 3.960 -0.015 0.000 0.253 63 G C 0.570 175.291 174.900 -0.299 0.000 0.979 63 G CA 0.646 45.616 45.100 -0.217 0.000 0.641 63 G HN 0.578 8.868 8.290 -0.000 0.000 0.530 64 H N -1.121 118.038 119.070 0.148 0.000 3.091 64 H HA 0.477 5.023 4.556 -0.016 0.000 0.249 64 H C 1.077 176.527 175.328 0.203 0.000 0.985 64 H CA 1.051 57.254 56.048 0.258 0.000 1.177 64 H CB 1.153 31.042 29.762 0.212 0.000 1.456 64 H HN 0.499 8.779 8.280 -0.000 0.000 0.467 65 S N 0.407 116.253 115.700 0.245 0.000 2.683 65 S HA 0.434 4.895 4.470 -0.015 0.000 0.269 65 S C -1.581 173.211 174.600 0.320 0.000 1.165 65 S CA -0.296 58.041 58.200 0.229 0.000 0.840 65 S CB 1.043 64.329 63.200 0.144 0.000 1.169 65 S HN 0.048 8.358 8.310 -0.000 0.000 0.490 66 V N 0.845 121.020 119.914 0.435 0.000 2.513 66 V HA 0.845 4.956 4.120 -0.015 0.000 0.299 66 V C -0.412 175.845 176.094 0.271 0.000 1.035 66 V CA -0.588 61.890 62.300 0.297 0.000 0.889 66 V CB 1.218 33.193 31.823 0.252 0.000 0.988 66 V HN 0.926 9.116 8.190 -0.000 0.000 0.440 67 M N 5.590 125.304 119.600 0.190 0.000 2.263 67 M HA 0.625 5.097 4.480 -0.015 0.000 0.295 67 M C -1.271 175.082 176.300 0.089 0.000 1.028 67 M CA -0.624 54.779 55.300 0.172 0.000 0.921 67 M CB 2.155 34.861 32.600 0.177 0.000 1.601 67 M HN 0.803 9.093 8.290 -0.000 0.000 0.440 68 M N 5.310 124.924 119.600 0.022 0.000 2.180 68 M HA 0.387 4.858 4.480 -0.015 0.000 0.358 68 M C -1.013 175.255 176.300 -0.053 0.000 1.233 68 M CA -0.323 54.943 55.300 -0.056 0.000 1.114 68 M CB 0.945 33.395 32.600 -0.250 0.000 1.594 68 M HN 0.569 8.859 8.290 -0.000 0.000 0.467 69 L N 4.950 126.189 121.223 0.027 0.000 2.261 69 L HA 0.248 4.580 4.340 -0.015 0.000 0.289 69 L C 0.680 177.603 176.870 0.088 0.000 1.059 69 L CA -0.210 54.665 54.840 0.059 0.000 0.816 69 L CB 0.528 42.646 42.059 0.099 0.000 1.191 69 L HN 0.847 9.077 8.230 -0.000 0.000 0.431 70 L N 1.844 123.060 121.223 -0.012 0.000 2.477 70 L HA 0.094 4.426 4.340 -0.015 0.000 0.220 70 L C 0.626 177.605 176.870 0.182 0.000 1.106 70 L CA 0.139 54.974 54.840 -0.008 0.000 0.851 70 L CB -0.190 41.709 42.059 -0.266 0.000 0.994 70 L HN 0.680 8.911 8.230 -0.000 0.000 0.462 71 E N 0.723 120.992 120.200 0.115 0.000 2.586 71 E HA -0.226 4.115 4.350 -0.015 0.000 0.259 71 E C -0.450 176.209 176.600 0.097 0.000 1.107 71 E CA 0.322 56.787 56.400 0.109 0.000 0.754 71 E CB -1.350 28.427 29.700 0.130 0.000 1.335 71 E HN 0.583 8.943 8.360 -0.000 0.000 0.411 77 A N 1.109 124.037 122.820 0.180 0.000 2.593 77 A HA 0.867 5.178 4.320 -0.015 0.000 0.290 77 A C -1.021 176.734 177.584 0.285 0.000 1.126 77 A CA -0.350 51.824 52.037 0.229 0.000 0.695 77 A CB 1.721 20.793 19.000 0.120 0.000 1.290 77 A HN 0.123 8.273 8.150 -0.000 0.000 0.414 78 S N -0.794 115.161 115.700 0.425 0.000 2.588 78 S HA 0.786 5.247 4.470 -0.015 0.000 0.269 78 S C -0.862 173.988 174.600 0.416 0.000 1.157 78 S CA -0.163 58.287 58.200 0.416 0.000 0.824 78 S CB 0.810 64.168 63.200 0.264 0.000 1.126 78 S HN 2.004 10.315 8.310 -0.000 0.000 0.464 79 I N -0.775 119.980 120.570 0.308 0.000 2.828 79 I HA 0.944 5.105 4.170 -0.015 0.000 0.302 79 I C -0.520 175.666 176.117 0.115 0.000 1.101 79 I CA -0.752 60.599 61.300 0.085 0.000 1.031 79 I CB 2.157 40.081 38.000 -0.127 0.000 1.231 79 I HN 1.034 9.244 8.210 -0.000 0.000 0.427 80 S N 2.383 118.125 115.700 0.070 0.000 2.752 80 S HA 0.962 5.424 4.470 -0.015 0.000 0.284 80 S C 0.118 174.744 174.600 0.045 0.000 1.189 80 S CA -0.186 58.073 58.200 0.099 0.000 0.835 80 S CB 0.926 64.195 63.200 0.115 0.000 1.192 80 S HN 2.332 10.642 8.310 -0.000 0.000 0.506 81 G N 0.561 109.378 108.800 0.029 0.000 2.539 81 G HA2 0.261 4.212 3.960 -0.015 0.000 0.256 81 G HA3 0.261 4.212 3.960 -0.015 0.000 0.256 81 G C 1.127 175.697 174.900 -0.550 0.000 1.233 81 G CA 1.001 46.031 45.100 -0.117 0.000 0.936 81 G HN 2.625 10.915 8.290 -0.000 0.000 0.571 82 G N -0.789 107.403 108.800 -1.014 0.000 2.296 82 G HA2 0.307 4.259 3.960 -0.015 0.000 0.282 82 G HA3 0.307 4.259 3.960 -0.015 0.000 0.282 82 G C 2.147 176.658 174.900 -0.648 0.000 1.014 82 G CA 1.044 45.169 45.100 -1.626 0.000 0.812 82 G HN 3.017 11.307 8.290 -0.000 0.000 0.508 83 G N -1.901 106.708 108.800 -0.319 0.000 2.166 83 G HA2 -0.269 3.682 3.960 -0.015 0.000 0.260 83 G HA3 -0.269 3.682 3.960 -0.015 0.000 0.260 83 G C 0.475 175.305 174.900 -0.116 0.000 0.986 83 G CA 0.708 45.720 45.100 -0.147 0.000 0.683 83 G HN 1.349 9.639 8.290 -0.000 0.000 0.527 84 L N 0.746 121.880 121.223 -0.149 0.000 2.371 84 L HA 0.348 4.679 4.340 -0.015 0.000 0.272 84 L C -0.097 176.795 176.870 0.037 0.000 1.124 84 L CA -1.566 53.249 54.840 -0.041 0.000 0.816 84 L CB 0.955 42.993 42.059 -0.034 0.000 1.129 84 L HN -0.014 8.216 8.230 -0.000 0.000 0.448 85 P HA 0.124 4.544 4.420 -0.000 0.000 0.249 85 P C -0.195 177.139 177.300 0.056 0.000 1.229 85 P CA 0.419 63.553 63.100 0.056 0.000 0.788 85 P CB 0.649 32.379 31.700 0.049 0.000 1.072 86 A N 0.183 123.066 122.820 0.105 0.000 2.599 86 A HA 0.679 4.991 4.320 -0.015 0.000 0.290 86 A C -3.112 174.538 177.584 0.110 0.000 1.101 86 A CA -1.456 50.602 52.037 0.035 0.000 0.674 86 A CB 0.777 19.725 19.000 -0.086 0.000 1.277 86 A HN -0.196 7.954 8.150 -0.000 0.000 0.419 87 P HA 0.515 4.935 4.420 -0.000 0.000 0.278 87 P C -1.566 175.772 177.300 0.063 0.000 1.238 87 P CA 0.274 63.447 63.100 0.122 0.000 0.794 87 P CB 0.318 32.061 31.700 0.072 0.000 0.955 88 Y N -0.065 120.280 120.300 0.074 0.000 2.425 88 Y HA 0.281 4.822 4.550 -0.014 0.000 0.344 88 Y C 0.707 176.733 175.900 0.209 0.000 0.969 88 Y CA -0.614 57.554 58.100 0.113 0.000 1.052 88 Y CB 2.206 40.720 38.460 0.090 0.000 1.215 88 Y HN 0.337 8.617 8.280 -0.000 0.000 0.451 89 Q N 1.861 121.838 119.800 0.294 0.000 2.241 89 Q HA 0.811 5.142 4.340 -0.015 0.000 0.254 89 Q C -0.693 175.410 176.000 0.172 0.000 0.917 89 Q CA -1.137 54.806 55.803 0.232 0.000 0.919 89 Q CB 1.903 30.718 28.738 0.128 0.000 1.237 89 Q HN 0.746 9.016 8.270 -0.000 0.000 0.434 90 A N 3.160 126.021 122.820 0.068 0.000 2.491 90 A HA 0.126 4.437 4.320 -0.015 0.000 0.261 90 A C 0.297 177.804 177.584 -0.128 0.000 1.101 90 A CA -0.394 51.495 52.037 -0.247 0.000 0.772 90 A CB 0.270 19.133 19.000 -0.228 0.000 1.043 90 A HN 0.769 8.919 8.150 -0.000 0.000 0.501 91 K N 0.802 121.114 120.400 -0.146 0.000 2.225 91 K HA 0.118 4.429 4.320 -0.015 0.000 0.204 91 K C 0.503 177.070 176.600 -0.055 0.000 1.047 91 K CA 1.242 57.499 56.287 -0.049 0.000 0.970 91 K CB -0.020 32.481 32.500 0.000 0.000 0.939 91 K HN 0.997 9.247 8.250 -0.000 0.000 0.472 92 Q N -0.594 119.160 119.800 -0.076 0.000 2.522 92 Q HA 0.587 4.918 4.340 -0.015 0.000 0.285 92 Q C -1.537 174.428 176.000 -0.058 0.000 0.982 92 Q CA -0.782 54.999 55.803 -0.036 0.000 0.805 92 Q CB 1.764 30.549 28.738 0.079 0.000 1.457 92 Q HN 0.055 8.325 8.270 -0.000 0.000 0.394 93 L N 2.618 123.803 121.223 -0.063 0.000 2.381 93 L HA 0.720 5.051 4.340 -0.015 0.000 0.274 93 L C -1.341 175.555 176.870 0.043 0.000 0.988 93 L CA -0.331 54.460 54.840 -0.082 0.000 0.824 93 L CB 1.563 43.501 42.059 -0.202 0.000 1.263 93 L HN 0.991 9.221 8.230 -0.000 0.000 0.410 94 H N 3.262 122.405 119.070 0.123 0.000 2.960 94 H HA 0.701 5.248 4.556 -0.015 0.000 0.338 94 H C -1.867 173.542 175.328 0.135 0.000 1.261 94 H CA -1.055 55.077 56.048 0.140 0.000 1.136 94 H CB 1.906 31.758 29.762 0.149 0.000 1.875 94 H HN 0.496 8.776 8.280 -0.000 0.000 0.550 95 L N 0.457 121.871 121.223 0.318 0.000 2.327 95 L HA 0.418 4.749 4.340 -0.015 0.000 0.258 95 L C -0.437 176.459 176.870 0.043 0.000 1.024 95 L CA -0.719 54.252 54.840 0.219 0.000 0.825 95 L CB 2.161 44.360 42.059 0.233 0.000 1.386 95 L HN 0.630 8.860 8.230 -0.000 0.000 0.417 96 H N -0.364 118.867 119.070 0.268 0.000 2.637 96 H HA 0.619 5.166 4.556 -0.014 0.000 0.363 96 H C -1.521 173.896 175.328 0.148 0.000 1.131 96 H CA -0.611 55.458 56.048 0.036 0.000 1.183 96 H CB 2.253 32.027 29.762 0.020 0.000 1.637 96 H HN 0.745 9.025 8.280 -0.000 0.000 0.531 97 W N 0.887 122.194 121.300 0.011 0.000 2.937 97 W HA 0.592 5.247 4.660 -0.009 0.000 0.360 97 W C -1.287 175.204 176.519 -0.048 0.000 1.215 97 W CA -0.799 56.511 57.345 -0.059 0.000 1.183 97 W CB 0.877 30.233 29.460 -0.173 0.000 1.458 97 W HN 0.511 8.691 8.180 -0.000 0.000 0.574 98 S N -0.786 115.037 115.700 0.205 0.000 3.081 98 S HA 0.454 4.915 4.470 -0.015 0.000 0.316 98 S C -0.461 174.249 174.600 0.185 0.000 1.089 98 S CA 0.178 58.438 58.200 0.100 0.000 0.897 98 S CB 0.819 63.996 63.200 -0.038 0.000 1.358 98 S HN 0.653 8.963 8.310 -0.000 0.000 0.678 99 D N 0.240 120.673 120.400 0.055 0.000 2.503 99 D HA 0.296 4.928 4.640 -0.015 0.000 0.218 99 D C -0.222 176.053 176.300 -0.042 0.000 1.183 99 D CA 0.021 54.044 54.000 0.037 0.000 0.827 99 D CB -0.229 40.598 40.800 0.046 0.000 1.034 99 D HN 0.266 8.636 8.370 -0.000 0.000 0.510 100 L N 0.831 121.970 121.223 -0.141 0.000 2.362 100 L HA 0.407 4.738 4.340 -0.015 0.000 0.271 100 L C -1.694 174.985 176.870 -0.318 0.000 1.002 100 L CA -2.177 52.492 54.840 -0.284 0.000 0.818 100 L CB 2.777 44.495 42.059 -0.569 0.000 1.298 100 L HN -0.351 7.879 8.230 -0.000 0.000 0.420 101 P HA -0.150 4.270 4.420 -0.000 0.000 0.225 101 P C 0.351 177.630 177.300 -0.036 0.000 1.148 101 P CA 1.190 64.256 63.100 -0.056 0.000 0.779 101 P CB -0.105 31.616 31.700 0.034 0.000 0.780 102 Y N -0.837 119.456 120.300 -0.012 0.000 2.584 102 Y HA 0.443 4.980 4.550 -0.022 0.000 0.254 102 Y C 0.942 176.836 175.900 -0.012 0.000 1.177 102 Y CA -0.792 57.295 58.100 -0.022 0.000 1.216 102 Y CB -0.251 38.178 38.460 -0.052 0.000 1.172 102 Y HN -0.085 8.195 8.280 -0.000 0.000 0.529 103 K N -0.512 119.762 120.400 -0.210 0.000 2.761 103 K HA 0.478 4.789 4.320 -0.015 0.000 0.196 103 K C 0.635 177.206 176.600 -0.049 0.000 1.134 103 K CA 0.225 56.426 56.287 -0.143 0.000 1.082 103 K CB 0.398 32.763 32.500 -0.226 0.000 0.768 103 K HN 0.198 8.448 8.250 -0.000 0.000 0.475 104 G N 0.782 109.604 108.800 0.036 0.000 2.939 104 G HA2 0.013 3.964 3.960 -0.015 0.000 0.216 104 G HA3 0.013 3.964 3.960 -0.015 0.000 0.216 104 G C 0.335 175.323 174.900 0.147 0.000 1.125 104 G CA 0.062 45.211 45.100 0.082 0.000 0.766 104 G HN 0.376 8.666 8.290 -0.000 0.000 0.541 105 S N -0.431 115.396 115.700 0.212 0.000 2.646 105 S HA 0.428 4.889 4.470 -0.015 0.000 0.276 105 S C 0.618 175.319 174.600 0.168 0.000 1.222 105 S CA -0.470 57.859 58.200 0.215 0.000 1.014 105 S CB 2.320 65.689 63.200 0.283 0.000 0.991 105 S HN 0.217 8.527 8.310 -0.000 0.000 0.533 106 E N 0.680 120.936 120.200 0.094 0.000 2.042 106 E HA -0.003 4.338 4.350 -0.015 0.000 0.189 106 E C -0.145 176.389 176.600 -0.110 0.000 0.974 106 E CA 0.737 57.123 56.400 -0.023 0.000 0.806 106 E CB -0.223 29.416 29.700 -0.102 0.000 0.769 106 E HN 0.749 9.109 8.360 -0.000 0.000 0.451 107 H N 0.591 119.626 119.070 -0.058 0.000 2.615 107 H HA 0.135 4.685 4.556 -0.011 0.000 0.363 107 H C -0.058 175.183 175.328 -0.146 0.000 1.148 107 H CA -0.005 55.965 56.048 -0.129 0.000 1.401 107 H CB 0.958 30.639 29.762 -0.134 0.000 1.461 107 H HN -0.013 8.267 8.280 -0.000 0.000 0.588 108 S N 1.994 117.605 115.700 -0.148 0.000 2.536 108 S HA 0.595 5.056 4.470 -0.015 0.000 0.298 108 S C -0.912 173.603 174.600 -0.142 0.000 1.083 108 S CA -1.129 56.919 58.200 -0.252 0.000 0.995 108 S CB 1.268 64.082 63.200 -0.644 0.000 1.058 108 S HN 0.439 8.749 8.310 -0.000 0.000 0.488 109 L N 1.998 123.197 121.223 -0.040 0.000 2.298 109 L HA 0.451 4.783 4.340 -0.015 0.000 0.284 109 L C -0.546 176.284 176.870 -0.065 0.000 1.013 109 L CA -0.587 54.203 54.840 -0.084 0.000 0.824 109 L CB 0.756 42.832 42.059 0.029 0.000 1.221 109 L HN 0.760 8.990 8.230 -0.000 0.000 0.418 110 D N 3.465 123.795 120.400 -0.116 0.000 2.751 110 D HA -0.211 4.421 4.640 -0.015 0.000 0.233 110 D C 1.210 177.473 176.300 -0.061 0.000 1.149 110 D CA 1.483 55.437 54.000 -0.078 0.000 0.682 110 D CB -0.677 40.097 40.800 -0.043 0.000 1.068 110 D HN 1.119 9.489 8.370 -0.000 0.000 0.429 111 G N -1.300 107.450 108.800 -0.084 0.000 2.179 111 G HA2 -0.345 3.607 3.960 -0.015 0.000 0.260 111 G HA3 -0.345 3.607 3.960 -0.015 0.000 0.260 111 G C 0.139 175.024 174.900 -0.026 0.000 0.977 111 G CA 0.486 45.556 45.100 -0.050 0.000 0.641 111 G HN 0.478 8.768 8.290 -0.000 0.000 0.533 112 E N 1.449 121.610 120.200 -0.066 0.000 2.229 112 E HA 0.535 4.876 4.350 -0.015 0.000 0.283 112 E C 0.153 176.676 176.600 -0.129 0.000 1.030 112 E CA -0.570 55.783 56.400 -0.079 0.000 0.836 112 E CB 0.941 30.561 29.700 -0.134 0.000 1.068 112 E HN 0.551 8.911 8.360 -0.000 0.000 0.401 113 H N 0.768 119.798 119.070 -0.067 0.000 2.544 113 H HA 0.555 5.106 4.556 -0.009 0.000 0.342 113 H C -0.479 174.770 175.328 -0.131 0.000 1.185 113 H CA -0.420 55.665 56.048 0.062 0.000 1.264 113 H CB 1.071 30.880 29.762 0.078 0.000 1.607 113 H HN 0.377 8.657 8.280 -0.000 0.000 0.550 114 F N -1.443 118.607 119.950 0.168 0.000 2.654 114 F HA 0.365 4.883 4.527 -0.015 0.000 0.334 114 F C 1.237 177.087 175.800 0.084 0.000 1.078 114 F CA -0.614 57.451 58.000 0.108 0.000 0.986 114 F CB 0.996 40.047 39.000 0.086 0.000 1.362 114 F HN 0.580 8.880 8.300 -0.000 0.000 0.498 115 A N 0.516 123.478 122.820 0.237 0.000 1.968 115 A HA 0.220 4.532 4.320 -0.015 0.000 0.217 115 A C 0.323 177.979 177.584 0.121 0.000 1.169 115 A CA 1.178 53.283 52.037 0.113 0.000 0.638 115 A CB -0.340 18.695 19.000 0.059 0.000 0.812 115 A HN 0.598 8.748 8.150 -0.000 0.000 0.446 116 M N -2.422 117.261 119.600 0.138 0.000 2.683 116 M HA 0.513 4.984 4.480 -0.015 0.000 0.274 116 M C -1.171 175.211 176.300 0.136 0.000 1.272 116 M CA -0.451 54.925 55.300 0.126 0.000 0.833 116 M CB 2.147 34.743 32.600 -0.007 0.000 1.708 116 M HN 0.127 8.417 8.290 -0.000 0.000 0.463 117 E N 1.660 121.945 120.200 0.141 0.000 2.263 117 E HA 0.584 4.925 4.350 -0.015 0.000 0.268 117 E C -1.975 174.649 176.600 0.041 0.000 0.884 117 E CA -0.495 55.962 56.400 0.095 0.000 0.766 117 E CB 2.624 32.372 29.700 0.080 0.000 1.196 117 E HN 0.718 9.078 8.360 -0.000 0.000 0.416 118 M N 4.464 124.118 119.600 0.089 0.000 2.205 118 M HA 0.356 4.827 4.480 -0.015 0.000 0.344 118 M C -1.580 174.824 176.300 0.173 0.000 1.085 118 M CA -0.395 54.973 55.300 0.114 0.000 1.001 118 M CB 0.842 33.568 32.600 0.209 0.000 1.626 118 M HN 0.638 8.928 8.290 -0.000 0.000 0.442 119 H N 5.549 124.691 119.070 0.120 0.000 2.551 119 H HA 0.456 5.002 4.556 -0.016 0.000 0.321 119 H C -0.993 174.302 175.328 -0.056 0.000 1.028 119 H CA -0.767 55.312 56.048 0.052 0.000 1.215 119 H CB 1.249 30.988 29.762 -0.039 0.000 1.414 119 H HN 0.608 8.888 8.280 -0.000 0.000 0.480 120 I N 4.573 125.295 120.570 0.253 0.000 2.307 120 I HA 0.182 4.344 4.170 -0.015 0.000 0.289 120 I C -0.338 175.894 176.117 0.191 0.000 1.021 120 I CA -0.821 60.586 61.300 0.177 0.000 1.224 120 I CB 1.196 39.404 38.000 0.347 0.000 1.376 120 I HN 0.256 8.466 8.210 -0.000 0.000 0.470 121 V N 6.131 126.060 119.914 0.025 0.000 2.407 121 V HA 0.348 4.459 4.120 -0.015 0.000 0.278 121 V C -0.476 175.594 176.094 -0.041 0.000 1.037 121 V CA -0.502 61.828 62.300 0.050 0.000 0.900 121 V CB 0.980 32.840 31.823 0.063 0.000 0.983 121 V HN 0.614 8.804 8.190 -0.000 0.000 0.459 122 H N 1.970 121.055 119.070 0.024 0.000 2.690 122 H HA 0.711 5.258 4.556 -0.015 0.000 0.368 122 H C -0.588 174.848 175.328 0.180 0.000 1.150 122 H CA -0.769 55.348 56.048 0.116 0.000 1.174 122 H CB 1.868 31.723 29.762 0.155 0.000 1.684 122 H HN 0.725 9.005 8.280 -0.000 0.000 0.538 123 E N 1.071 121.454 120.200 0.304 0.000 2.238 123 E HA 0.288 4.629 4.350 -0.015 0.000 0.267 123 E C -0.857 175.784 176.600 0.069 0.000 0.887 123 E CA -1.076 55.447 56.400 0.206 0.000 0.769 123 E CB 1.415 31.169 29.700 0.089 0.000 1.187 123 E HN 0.444 8.804 8.360 -0.000 0.000 0.416 124 K N 3.011 123.293 120.400 -0.197 0.000 2.451 124 K HA 0.027 4.339 4.320 -0.015 0.000 0.280 124 K C -0.311 176.093 176.600 -0.327 0.000 1.020 124 K CA 0.144 55.985 56.287 -0.743 0.000 1.008 124 K CB 0.550 32.623 32.500 -0.713 0.000 0.917 124 K HN 0.563 8.813 8.250 -0.000 0.000 0.478 134 A N 2.660 125.476 122.820 -0.007 0.000 2.922 134 A HA 0.528 4.839 4.320 -0.015 0.000 0.298 134 A C 0.811 178.391 177.584 -0.007 0.000 1.588 134 A CA 0.460 52.494 52.037 -0.005 0.000 1.288 134 A CB -1.065 17.933 19.000 -0.003 0.000 1.130 134 A HN 0.863 9.013 8.150 -0.000 0.000 0.557 135 Q N 1.177 120.972 119.800 -0.009 0.000 2.454 135 Q HA 0.176 4.507 4.340 -0.015 0.000 0.247 135 Q C -0.091 175.906 176.000 -0.005 0.000 1.028 135 Q CA -0.299 55.496 55.803 -0.012 0.000 0.910 135 Q CB 0.464 29.192 28.738 -0.017 0.000 1.276 135 Q HN 0.689 8.959 8.270 -0.000 0.000 0.489 136 D N 1.743 122.141 120.400 -0.003 0.000 2.412 136 D HA 0.094 4.725 4.640 -0.015 0.000 0.257 136 D C -1.455 174.852 176.300 0.012 0.000 1.217 136 D CA -1.971 52.033 54.000 0.007 0.000 0.897 136 D CB 1.230 42.037 40.800 0.012 0.000 1.132 136 D HN 0.388 8.758 8.370 -0.000 0.000 0.493 137 P HA -0.097 4.323 4.420 -0.000 0.000 0.220 137 P C 0.606 177.917 177.300 0.019 0.000 1.148 137 P CA 1.005 64.113 63.100 0.014 0.000 0.803 137 P CB 0.304 32.013 31.700 0.014 0.000 0.782 138 E N -0.454 119.760 120.200 0.023 0.000 2.442 138 E HA -0.045 4.296 4.350 -0.015 0.000 0.195 138 E C 0.125 176.737 176.600 0.021 0.000 1.030 138 E CA 0.633 57.048 56.400 0.025 0.000 0.869 138 E CB -0.040 29.678 29.700 0.030 0.000 0.857 138 E HN 0.429 8.789 8.360 -0.000 0.000 0.505 139 D N -0.718 119.705 120.400 0.038 0.000 2.785 139 D HA 0.031 4.663 4.640 -0.015 0.000 0.324 139 D C 0.536 176.927 176.300 0.152 0.000 1.523 139 D CA -0.170 53.871 54.000 0.069 0.000 0.789 139 D CB -0.358 40.495 40.800 0.088 0.000 1.171 139 D HN -0.076 8.294 8.370 -0.000 0.000 0.447 140 E N 0.262 120.513 120.200 0.085 0.000 2.110 140 E HA 0.016 4.357 4.350 -0.015 0.000 0.193 140 E C 0.508 177.202 176.600 0.157 0.000 0.988 140 E CA 0.845 57.291 56.400 0.077 0.000 0.804 140 E CB 0.504 30.222 29.700 0.030 0.000 0.745 140 E HN 0.455 8.815 8.360 -0.000 0.000 0.458 141 I N 0.316 120.953 120.570 0.112 0.000 2.474 141 I HA 0.349 4.510 4.170 -0.015 0.000 0.294 141 I C -0.712 175.358 176.117 -0.079 0.000 1.005 141 I CA -0.859 60.484 61.300 0.071 0.000 1.113 141 I CB 1.925 39.900 38.000 -0.041 0.000 1.289 141 I HN -0.106 8.104 8.210 -0.000 0.000 0.436 142 A N 6.524 129.246 122.820 -0.163 0.000 2.273 142 A HA 0.706 5.017 4.320 -0.015 0.000 0.315 142 A C -0.753 176.617 177.584 -0.357 0.000 1.256 142 A CA -0.469 51.279 52.037 -0.482 0.000 0.851 142 A CB 1.010 19.439 19.000 -0.952 0.000 1.172 142 A HN 0.430 8.580 8.150 -0.000 0.000 0.508 143 V N 4.162 123.731 119.914 -0.574 0.000 2.394 143 V HA 0.319 4.430 4.120 -0.015 0.000 0.282 143 V C -0.054 175.855 176.094 -0.307 0.000 1.031 143 V CA -0.333 61.664 62.300 -0.504 0.000 0.881 143 V CB 1.272 32.442 31.823 -1.089 0.000 0.982 143 V HN 0.759 8.949 8.190 -0.000 0.000 0.451 144 L N 4.686 125.872 121.223 -0.063 0.000 2.265 144 L HA 0.715 5.046 4.340 -0.015 0.000 0.288 144 L C 0.398 177.350 176.870 0.137 0.000 1.058 144 L CA -0.238 54.587 54.840 -0.026 0.000 0.809 144 L CB 1.302 43.432 42.059 0.119 0.000 1.179 144 L HN 0.746 8.976 8.230 -0.000 0.000 0.429 145 A N 4.542 127.392 122.820 0.050 0.000 2.303 145 A HA 0.789 5.100 4.320 -0.015 0.000 0.320 145 A C -1.057 176.487 177.584 -0.067 0.000 1.192 145 A CA -0.322 51.865 52.037 0.251 0.000 0.821 145 A CB 0.417 19.644 19.000 0.378 0.000 1.188 145 A HN 0.515 8.665 8.150 -0.000 0.000 0.492 146 F N 2.003 122.106 119.950 0.254 0.000 2.482 146 F HA 0.514 5.032 4.527 -0.015 0.000 0.331 146 F C 0.043 175.869 175.800 0.043 0.000 1.115 146 F CA -0.541 57.552 58.000 0.154 0.000 0.955 146 F CB 1.749 40.807 39.000 0.096 0.000 1.136 146 F HN 0.364 8.664 8.300 -0.000 0.000 0.452 147 L N 3.771 125.042 121.223 0.080 0.000 2.350 147 L HA 0.646 4.978 4.340 -0.015 0.000 0.275 147 L C -0.520 176.316 176.870 -0.058 0.000 1.099 147 L CA -0.810 53.946 54.840 -0.139 0.000 0.808 147 L CB 1.217 42.861 42.059 -0.691 0.000 1.149 147 L HN 0.320 8.550 8.230 -0.000 0.000 0.442 148 V N 2.166 122.093 119.914 0.023 0.000 2.604 148 V HA 0.489 4.601 4.120 -0.015 0.000 0.305 148 V C -0.275 175.909 176.094 0.151 0.000 1.043 148 V CA -0.594 61.727 62.300 0.035 0.000 0.888 148 V CB 1.814 33.605 31.823 -0.052 0.000 0.995 148 V HN 0.912 9.102 8.190 -0.000 0.000 0.429 149 E N 3.333 123.605 120.200 0.121 0.000 2.433 149 E HA 0.862 5.203 4.350 -0.015 0.000 0.273 149 E C -0.631 175.985 176.600 0.025 0.000 0.950 149 E CA -1.008 55.474 56.400 0.136 0.000 0.796 149 E CB 2.314 32.156 29.700 0.235 0.000 1.330 149 E HN 0.696 9.056 8.360 -0.000 0.000 0.455 150 A N 0.169 122.993 122.820 0.006 0.000 2.296 150 A HA 0.419 4.731 4.320 -0.015 0.000 0.264 150 A C 0.695 178.245 177.584 -0.057 0.000 1.097 150 A CA 0.205 52.213 52.037 -0.049 0.000 0.811 150 A CB 0.328 19.291 19.000 -0.063 0.000 1.072 150 A HN 0.772 8.922 8.150 -0.000 0.000 0.495 151 T N -3.430 111.060 114.554 -0.107 0.000 3.145 151 T HA 0.537 4.878 4.350 -0.015 0.000 0.281 151 T C 0.307 175.006 174.700 -0.002 0.000 1.003 151 T CA 0.791 62.816 62.100 -0.126 0.000 0.901 151 T CB -0.361 68.469 68.868 -0.062 0.000 1.112 151 T HN 1.334 9.574 8.240 -0.000 0.000 0.535 152 Q N 0.695 120.516 119.800 0.034 0.000 2.345 152 Q HA 0.762 5.093 4.340 -0.015 0.000 0.268 152 Q C -0.264 175.826 176.000 0.149 0.000 1.054 152 Q CA -0.897 54.969 55.803 0.105 0.000 0.835 152 Q CB 1.408 30.179 28.738 0.055 0.000 1.339 152 Q HN 0.377 8.647 8.270 -0.000 0.000 0.447 153 V N 2.958 122.966 119.914 0.157 0.000 2.540 153 V HA 0.021 4.132 4.120 -0.015 0.000 0.297 153 V C 0.587 176.723 176.094 0.069 0.000 1.024 153 V CA -0.177 62.182 62.300 0.099 0.000 1.105 153 V CB 0.954 32.792 31.823 0.025 0.000 0.938 153 V HN 0.947 9.137 8.190 -0.000 0.000 0.482 154 N N 4.840 123.578 118.700 0.064 0.000 2.482 154 N HA 0.060 4.792 4.740 -0.015 0.000 0.242 154 N C 1.028 176.606 175.510 0.113 0.000 1.100 154 N CA -0.221 52.874 53.050 0.075 0.000 0.946 154 N CB 1.008 39.520 38.487 0.042 0.000 1.227 154 N HN 0.579 8.959 8.380 -0.000 0.000 0.508 155 E N 2.455 122.703 120.200 0.080 0.000 2.204 155 E HA -0.093 4.249 4.350 -0.015 0.000 0.195 155 E C 1.589 178.234 176.600 0.075 0.000 0.990 155 E CA 0.706 57.144 56.400 0.063 0.000 0.821 155 E CB -0.240 29.482 29.700 0.036 0.000 0.750 155 E HN 0.784 9.144 8.360 -0.000 0.000 0.477 156 G N -0.138 108.720 108.800 0.095 0.000 2.450 156 G HA2 -0.242 3.710 3.960 -0.015 0.000 0.220 156 G HA3 -0.242 3.710 3.960 -0.015 0.000 0.220 156 G C 1.216 176.138 174.900 0.037 0.000 1.130 156 G CA 0.258 45.396 45.100 0.062 0.000 0.760 156 G HN 0.196 8.486 8.290 -0.000 0.000 0.557 157 F N 0.525 120.464 119.950 -0.018 0.000 2.789 157 F HA 0.165 4.683 4.527 -0.015 0.000 0.300 157 F C 2.702 178.495 175.800 -0.011 0.000 1.132 157 F CA 0.283 58.278 58.000 -0.009 0.000 1.404 157 F CB 0.298 39.306 39.000 0.013 0.000 1.114 157 F HN 0.052 8.352 8.300 -0.000 0.000 0.584 158 Q N 0.339 120.210 119.800 0.118 0.000 2.084 158 Q HA -0.137 4.194 4.340 -0.015 0.000 0.202 158 Q C -0.415 175.589 176.000 0.007 0.000 0.978 158 Q CA 1.533 57.367 55.803 0.053 0.000 0.844 158 Q CB -1.808 26.947 28.738 0.029 0.000 0.898 158 Q HN 0.279 8.549 8.270 -0.000 0.000 0.426 159 P HA -0.158 4.262 4.420 -0.000 0.000 0.215 159 P C 1.601 178.881 177.300 -0.034 0.000 1.153 159 P CA 0.875 63.964 63.100 -0.019 0.000 0.853 159 P CB -0.143 31.551 31.700 -0.010 0.000 0.788 160 L N -0.578 120.614 121.223 -0.051 0.000 2.017 160 L HA -0.119 4.212 4.340 -0.015 0.000 0.208 160 L C 2.151 178.959 176.870 -0.104 0.000 1.073 160 L CA 1.902 56.703 54.840 -0.064 0.000 0.745 160 L CB -1.213 40.799 42.059 -0.079 0.000 0.894 160 L HN -0.194 8.036 8.230 -0.000 0.000 0.432 161 V N -0.159 119.710 119.914 -0.076 0.000 2.343 161 V HA -0.268 3.843 4.120 -0.015 0.000 0.247 161 V C 2.506 178.489 176.094 -0.185 0.000 1.051 161 V CA 2.005 64.189 62.300 -0.193 0.000 1.036 161 V CB -0.687 31.093 31.823 -0.073 0.000 0.654 161 V HN 0.507 8.697 8.190 -0.000 0.000 0.451 162 E N 0.352 120.490 120.200 -0.104 0.000 2.106 162 E HA -0.149 4.192 4.350 -0.015 0.000 0.192 162 E C 2.270 178.816 176.600 -0.090 0.000 0.984 162 E CA 1.194 57.542 56.400 -0.087 0.000 0.806 162 E CB -0.329 29.339 29.700 -0.054 0.000 0.750 162 E HN 0.601 8.961 8.360 -0.000 0.000 0.458 163 A N 1.041 123.809 122.820 -0.087 0.000 2.067 163 A HA -0.110 4.201 4.320 -0.015 0.000 0.219 163 A C 2.089 179.615 177.584 -0.097 0.000 1.158 163 A CA 0.722 52.717 52.037 -0.070 0.000 0.661 163 A CB -0.504 18.468 19.000 -0.047 0.000 0.801 163 A HN 0.146 8.296 8.150 -0.000 0.000 0.452 164 L N -0.353 120.769 121.223 -0.169 0.000 2.191 164 L HA -0.153 4.178 4.340 -0.015 0.000 0.212 164 L C 2.554 179.347 176.870 -0.128 0.000 1.103 164 L CA 1.189 55.908 54.840 -0.201 0.000 0.769 164 L CB -0.537 41.286 42.059 -0.393 0.000 0.908 164 L HN 0.294 8.524 8.230 -0.000 0.000 0.438 165 S N 0.213 115.849 115.700 -0.107 0.000 2.419 165 S HA -0.107 4.354 4.470 -0.015 0.000 0.235 165 S C 1.441 176.020 174.600 -0.034 0.000 1.019 165 S CA 1.089 59.250 58.200 -0.065 0.000 0.982 165 S CB -0.222 62.943 63.200 -0.057 0.000 0.789 165 S HN 0.506 8.816 8.310 -0.000 0.000 0.490 166 N N 1.230 119.910 118.700 -0.033 0.000 2.280 166 N HA 0.188 4.920 4.740 -0.015 0.000 0.192 166 N C 0.411 175.919 175.510 -0.003 0.000 1.109 166 N CA 0.248 53.289 53.050 -0.015 0.000 0.855 166 N CB 0.278 38.756 38.487 -0.015 0.000 0.974 166 N HN 0.588 8.968 8.380 -0.000 0.000 0.482 167 I N -2.780 117.788 120.570 -0.003 0.000 2.944 167 I HA 0.383 4.544 4.170 -0.015 0.000 0.334 167 I C -2.047 174.094 176.117 0.041 0.000 1.420 167 I CA -1.527 59.783 61.300 0.017 0.000 0.856 167 I CB 1.483 39.493 38.000 0.016 0.000 2.091 167 I HN -0.312 7.898 8.210 -0.000 0.000 0.571 168 P HA -0.142 4.278 4.420 -0.000 0.000 0.217 168 P C 0.157 177.567 177.300 0.183 0.000 1.150 168 P CA 1.447 64.635 63.100 0.147 0.000 0.832 168 P CB 0.124 31.925 31.700 0.169 0.000 0.787 169 K N -0.293 120.167 120.400 0.100 0.000 2.221 169 K HA 0.509 4.820 4.320 -0.015 0.000 0.243 169 K C -2.813 173.821 176.600 0.056 0.000 0.968 169 K CA -2.913 53.423 56.287 0.081 0.000 0.846 169 K CB 0.829 33.343 32.500 0.024 0.000 1.141 169 K HN -0.205 8.045 8.250 -0.000 0.000 0.434 170 P HA -0.103 4.317 4.420 -0.000 0.000 0.265 170 P C -0.502 176.806 177.300 0.012 0.000 1.187 170 P CA 0.643 63.754 63.100 0.018 0.000 0.766 170 P CB 0.252 31.942 31.700 -0.018 0.000 0.820 171 E N -1.701 118.509 120.200 0.017 0.000 3.927 171 E HA -0.182 4.159 4.350 -0.015 0.000 0.330 171 E C -0.010 176.604 176.600 0.023 0.000 0.751 171 E CA 0.945 57.356 56.400 0.019 0.000 1.254 171 E CB -2.057 27.649 29.700 0.010 0.000 1.643 171 E HN 0.592 8.952 8.360 -0.000 0.000 0.430 172 M N 0.483 120.099 119.600 0.027 0.000 2.314 172 M HA 0.335 4.806 4.480 -0.015 0.000 0.342 172 M C 0.287 176.606 176.300 0.032 0.000 1.171 172 M CA 0.049 55.364 55.300 0.025 0.000 1.098 172 M CB 1.684 34.298 32.600 0.024 0.000 1.559 172 M HN -0.153 8.137 8.290 -0.000 0.000 0.459 173 S N 0.262 115.978 115.700 0.028 0.000 2.599 173 S HA 0.772 5.233 4.470 -0.015 0.000 0.287 173 S C -0.674 173.940 174.600 0.023 0.000 1.105 173 S CA -0.726 57.493 58.200 0.032 0.000 0.899 173 S CB 2.449 65.671 63.200 0.036 0.000 1.100 173 S HN 0.760 9.070 8.310 -0.000 0.000 0.482 174 T N 0.522 115.092 114.554 0.025 0.000 2.792 174 T HA 0.563 4.905 4.350 -0.015 0.000 0.303 174 T C -1.500 173.216 174.700 0.026 0.000 1.310 174 T CA -0.348 61.763 62.100 0.017 0.000 1.007 174 T CB 1.572 70.443 68.868 0.006 0.000 1.335 174 T HN 0.481 8.721 8.240 -0.000 0.000 0.504 175 T N 3.342 117.907 114.554 0.018 0.000 2.749 175 T HA 0.495 4.837 4.350 -0.015 0.000 0.287 175 T C 0.271 174.983 174.700 0.020 0.000 0.970 175 T CA -0.388 61.725 62.100 0.023 0.000 0.980 175 T CB 0.491 69.360 68.868 0.002 0.000 0.924 175 T HN 0.478 8.718 8.240 -0.000 0.000 0.456 176 M N 2.641 122.269 119.600 0.046 0.000 2.243 176 M HA 0.427 4.898 4.480 -0.015 0.000 0.341 176 M C 0.936 177.246 176.300 0.016 0.000 1.130 176 M CA -0.511 54.813 55.300 0.040 0.000 1.162 176 M CB 0.512 33.167 32.600 0.091 0.000 1.497 176 M HN 0.697 8.987 8.290 -0.000 0.000 0.456 177 A N 1.934 124.755 122.820 0.002 0.000 2.492 177 A HA 0.032 4.344 4.320 -0.015 0.000 0.236 177 A C 0.223 177.800 177.584 -0.012 0.000 1.078 177 A CA -0.312 51.717 52.037 -0.013 0.000 0.773 177 A CB -0.008 18.984 19.000 -0.014 0.000 1.023 177 A HN 0.847 8.997 8.150 -0.000 0.000 0.504 178 E N 0.452 120.630 120.200 -0.036 0.000 2.608 178 E HA 0.246 4.587 4.350 -0.015 0.000 0.259 178 E C -0.068 176.522 176.600 -0.016 0.000 0.951 178 E CA 0.837 57.205 56.400 -0.054 0.000 0.945 178 E CB 0.124 29.788 29.700 -0.060 0.000 0.916 178 E HN 0.907 9.267 8.360 -0.000 0.000 0.477 179 S N 2.422 118.126 115.700 0.006 0.000 2.578 179 S HA 0.459 4.920 4.470 -0.015 0.000 0.272 179 S C -0.777 173.917 174.600 0.156 0.000 1.145 179 S CA -0.520 57.719 58.200 0.067 0.000 0.835 179 S CB 1.275 64.524 63.200 0.083 0.000 1.104 179 S HN 0.664 8.974 8.310 -0.000 0.000 0.458 180 S N 0.963 116.731 115.700 0.114 0.000 2.739 180 S HA 0.666 5.127 4.470 -0.015 0.000 0.306 180 S C 0.890 175.510 174.600 0.034 0.000 1.115 180 S CA -1.147 57.146 58.200 0.155 0.000 0.985 180 S CB 0.550 63.793 63.200 0.072 0.000 1.133 180 S HN 0.727 9.037 8.310 -0.000 0.000 0.541 181 L N 0.309 121.502 121.223 -0.051 0.000 2.109 181 L HA 0.049 4.380 4.340 -0.015 0.000 0.207 181 L C 2.316 179.082 176.870 -0.173 0.000 1.086 181 L CA 0.794 55.468 54.840 -0.277 0.000 0.760 181 L CB -0.620 41.050 42.059 -0.648 0.000 0.910 181 L HN 0.665 8.895 8.230 -0.000 0.000 0.437 182 L N -0.232 120.956 121.223 -0.059 0.000 2.191 182 L HA -0.226 4.105 4.340 -0.015 0.000 0.212 182 L C 2.000 178.794 176.870 -0.126 0.000 1.103 182 L CA 0.815 55.594 54.840 -0.100 0.000 0.769 182 L CB -0.572 41.450 42.059 -0.062 0.000 0.908 182 L HN 0.301 8.531 8.230 -0.000 0.000 0.438 183 D N 0.172 120.508 120.400 -0.107 0.000 2.221 183 D HA -0.161 4.470 4.640 -0.015 0.000 0.204 183 D C 2.061 178.267 176.300 -0.158 0.000 0.982 183 D CA 1.203 55.141 54.000 -0.103 0.000 0.857 183 D CB 0.018 40.763 40.800 -0.091 0.000 0.934 183 D HN 0.356 8.726 8.370 -0.000 0.000 0.475 184 L N -0.365 120.688 121.223 -0.283 0.000 2.567 184 L HA 0.173 4.504 4.340 -0.015 0.000 0.225 184 L C 0.767 177.521 176.870 -0.193 0.000 1.119 184 L CA 0.005 54.604 54.840 -0.401 0.000 0.871 184 L CB 0.251 41.921 42.059 -0.647 0.000 1.036 184 L HN -0.103 8.127 8.230 -0.000 0.000 0.459 185 L N -0.637 120.421 121.223 -0.274 0.000 2.334 185 L HA 0.386 4.717 4.340 -0.015 0.000 0.270 185 L C -1.549 175.185 176.870 -0.227 0.000 1.018 185 L CA -1.840 52.739 54.840 -0.434 0.000 0.811 185 L CB 1.066 42.802 42.059 -0.539 0.000 1.271 185 L HN -0.197 8.033 8.230 -0.000 0.000 0.443 186 P HA -0.065 4.355 4.420 -0.000 0.000 0.219 186 P C 0.587 177.832 177.300 -0.092 0.000 1.231 186 P CA 0.223 63.272 63.100 -0.084 0.000 0.673 186 P CB 0.114 31.801 31.700 -0.021 0.000 0.768 187 E N -1.882 118.337 120.200 0.031 0.000 4.809 187 E HA -0.306 4.035 4.350 -0.015 0.000 0.177 187 E C 0.242 176.879 176.600 0.063 0.000 0.994 187 E CA 1.876 58.303 56.400 0.045 0.000 1.398 187 E CB -2.185 27.538 29.700 0.039 0.000 1.720 187 E HN 0.216 8.576 8.360 -0.000 0.000 0.335 188 K N 1.351 121.792 120.400 0.068 0.000 2.480 188 K HA 0.205 4.517 4.320 -0.015 0.000 0.241 188 K C 0.769 177.458 176.600 0.149 0.000 1.261 188 K CA 0.264 56.615 56.287 0.106 0.000 1.193 188 K CB -0.129 32.425 32.500 0.090 0.000 1.598 188 K HN 0.210 8.460 8.250 -0.000 0.000 0.278 189 R N -0.719 119.906 120.500 0.208 0.000 3.872 189 R HA -0.168 4.163 4.340 -0.015 0.000 0.377 189 R C -0.161 176.089 176.300 -0.084 0.000 0.628 189 R CA 1.746 57.880 56.100 0.057 0.000 1.612 189 R CB -1.593 28.599 30.300 -0.180 0.000 2.008 189 R HN 0.706 8.976 8.270 -0.000 0.000 0.414 190 H N 0.416 119.563 119.070 0.129 0.000 2.594 190 H HA 0.438 4.985 4.556 -0.015 0.000 0.304 190 H C -0.002 175.303 175.328 -0.040 0.000 1.068 190 H CA 0.163 56.155 56.048 -0.093 0.000 1.308 190 H CB 0.304 30.003 29.762 -0.105 0.000 1.409 190 H HN 0.243 8.523 8.280 -0.000 0.000 0.460 191 Y N 0.910 121.078 120.300 -0.219 0.000 2.625 191 Y HA 0.538 5.079 4.550 -0.015 0.000 0.338 191 Y C -1.730 173.843 175.900 -0.545 0.000 1.123 191 Y CA -1.599 56.258 58.100 -0.405 0.000 1.046 191 Y CB 0.796 38.947 38.460 -0.515 0.000 1.299 191 Y HN 0.096 8.376 8.280 -0.000 0.000 0.464 192 F N 1.344 121.334 119.950 0.066 0.000 2.425 192 F HA 0.798 5.318 4.527 -0.012 0.000 0.331 192 F C 0.057 175.947 175.800 0.149 0.000 1.085 192 F CA -0.635 57.402 58.000 0.061 0.000 1.028 192 F CB 1.907 40.923 39.000 0.027 0.000 1.177 192 F HN 0.538 8.838 8.300 -0.000 0.000 0.487 193 R N 2.459 123.170 120.500 0.353 0.000 2.564 193 R HA 0.578 4.909 4.340 -0.015 0.000 0.284 193 R C -2.085 174.417 176.300 0.337 0.000 1.031 193 R CA -0.851 55.417 56.100 0.281 0.000 0.904 193 R CB 0.943 31.369 30.300 0.211 0.000 1.199 193 R HN 0.652 8.922 8.270 -0.000 0.000 0.443 194 Y N 1.429 121.821 120.300 0.152 0.000 2.656 194 Y HA 0.593 5.134 4.550 -0.014 0.000 0.334 194 Y C -2.029 173.983 175.900 0.187 0.000 1.179 194 Y CA -1.418 56.764 58.100 0.137 0.000 1.050 194 Y CB 1.203 39.725 38.460 0.103 0.000 1.308 194 Y HN 0.383 8.663 8.280 -0.000 0.000 0.456 195 L N 2.497 123.766 121.223 0.076 0.000 2.295 195 L HA 0.860 5.191 4.340 -0.015 0.000 0.285 195 L C 0.383 177.323 176.870 0.116 0.000 1.035 195 L CA 0.058 54.911 54.840 0.023 0.000 0.806 195 L CB 1.265 43.367 42.059 0.072 0.000 1.214 195 L HN 1.095 9.325 8.230 -0.000 0.000 0.426 196 G N 1.240 110.118 108.800 0.130 0.000 2.791 196 G HA2 0.531 4.482 3.960 -0.015 0.000 0.158 196 G HA3 0.531 4.482 3.960 -0.015 0.000 0.158 196 G C -1.259 173.798 174.900 0.263 0.000 1.193 196 G CA 0.253 45.514 45.100 0.268 0.000 1.032 196 G HN 0.586 8.876 8.290 -0.000 0.000 0.557 197 S N -1.106 114.822 115.700 0.379 0.000 2.667 197 S HA 0.754 5.216 4.470 -0.015 0.000 0.292 197 S C -0.334 174.483 174.600 0.362 0.000 1.126 197 S CA -0.715 57.646 58.200 0.267 0.000 0.881 197 S CB 1.321 64.627 63.200 0.176 0.000 1.132 197 S HN 0.652 8.962 8.310 -0.000 0.000 0.492 198 L N 1.498 122.833 121.223 0.187 0.000 2.483 198 L HA 0.236 4.567 4.340 -0.015 0.000 0.275 198 L C 1.678 178.669 176.870 0.203 0.000 1.220 198 L CA 0.101 55.048 54.840 0.179 0.000 0.833 198 L CB 0.458 42.546 42.059 0.048 0.000 1.102 198 L HN 1.074 9.304 8.230 -0.000 0.000 0.490 199 T N -3.443 111.259 114.554 0.248 0.000 3.145 199 T HA 0.127 4.468 4.350 -0.015 0.000 0.255 199 T C 0.402 175.194 174.700 0.153 0.000 1.039 199 T CA 0.047 62.282 62.100 0.224 0.000 0.928 199 T CB -0.318 68.693 68.868 0.239 0.000 1.029 199 T HN 0.751 8.991 8.240 -0.000 0.000 0.554 200 T N -1.337 113.133 114.554 -0.141 0.000 2.901 200 T HA 0.665 5.006 4.350 -0.015 0.000 0.293 200 T C -3.394 170.767 174.700 -0.897 0.000 1.084 200 T CA -2.428 59.172 62.100 -0.834 0.000 1.008 200 T CB 1.526 69.853 68.868 -0.902 0.000 1.170 200 T HN -0.222 8.018 8.240 -0.000 0.000 0.509 201 P HA 0.124 4.544 4.420 -0.000 0.000 0.265 201 P C 0.974 177.939 177.300 -0.559 0.000 1.187 201 P CA -0.062 62.460 63.100 -0.963 0.000 0.766 201 P CB 0.264 31.189 31.700 -1.292 0.000 0.820 202 T N -1.763 112.614 114.554 -0.295 0.000 3.219 202 T HA 0.055 4.397 4.350 -0.015 0.000 0.249 202 T C 0.440 175.056 174.700 -0.140 0.000 1.099 202 T CA -0.177 61.795 62.100 -0.215 0.000 0.988 202 T CB -1.432 67.365 68.868 -0.118 0.000 0.999 202 T HN 0.528 8.768 8.240 -0.000 0.000 0.550 203 c N 1.716 120.230 118.600 -0.143 0.000 4.432 203 c HA -0.126 4.435 4.570 -0.015 0.000 0.294 203 c C 0.066 174.159 174.090 0.005 0.000 1.398 203 c CA -0.424 55.883 56.329 -0.037 0.000 1.988 203 c CB -2.983 39.535 42.510 0.014 0.000 1.251 203 c HN 0.627 8.857 8.230 -0.000 0.000 0.791 204 D N 1.303 121.698 120.400 -0.009 0.000 2.493 204 D HA 0.145 4.777 4.640 -0.015 0.000 0.240 204 D C 0.763 177.083 176.300 0.035 0.000 1.142 204 D CA 0.670 54.674 54.000 0.008 0.000 0.872 204 D CB 0.568 41.367 40.800 -0.002 0.000 1.173 204 D HN 0.567 8.937 8.370 -0.000 0.000 0.467 205 E N 1.785 122.009 120.200 0.040 0.000 2.110 205 E HA 0.029 4.371 4.350 -0.015 0.000 0.300 205 E C 0.564 177.188 176.600 0.040 0.000 1.278 205 E CA -0.071 56.364 56.400 0.058 0.000 1.365 205 E CB 0.025 29.760 29.700 0.058 0.000 1.283 205 E HN 0.406 8.766 8.360 -0.000 0.000 0.490 206 K N -0.970 119.445 120.400 0.025 0.000 2.564 206 K HA 0.206 4.517 4.320 -0.015 0.000 0.201 206 K C -0.314 176.267 176.600 -0.031 0.000 1.086 206 K CA -0.279 56.011 56.287 0.006 0.000 1.062 206 K CB 0.803 33.306 32.500 0.006 0.000 0.849 206 K HN -0.067 8.183 8.250 -0.000 0.000 0.529 207 V N 1.797 121.671 119.914 -0.067 0.000 2.398 207 V HA 0.245 4.356 4.120 -0.015 0.000 0.286 207 V C -0.378 175.560 176.094 -0.261 0.000 1.026 207 V CA -1.054 61.098 62.300 -0.245 0.000 0.868 207 V CB 1.746 33.287 31.823 -0.471 0.000 0.982 207 V HN 0.167 8.357 8.190 -0.000 0.000 0.443 208 V N 6.173 125.909 119.914 -0.298 0.000 2.385 208 V HA 0.440 4.552 4.120 -0.015 0.000 0.269 208 V C -0.875 174.962 176.094 -0.429 0.000 1.043 208 V CA -0.368 61.766 62.300 -0.276 0.000 0.906 208 V CB 0.643 32.355 31.823 -0.186 0.000 0.995 208 V HN 0.875 9.065 8.190 -0.000 0.000 0.467 209 W N 4.198 125.269 121.300 -0.382 0.000 2.438 209 W HA 0.635 5.288 4.660 -0.011 0.000 0.324 209 W C 0.196 176.545 176.519 -0.282 0.000 1.119 209 W CA -0.375 56.731 57.345 -0.399 0.000 1.221 209 W CB 1.989 31.038 29.460 -0.684 0.000 1.253 209 W HN 0.438 8.618 8.180 -0.000 0.000 0.555 210 T N 2.640 117.191 114.554 -0.005 0.000 2.881 210 T HA 0.447 4.789 4.350 -0.015 0.000 0.291 210 T C -1.134 173.426 174.700 -0.233 0.000 0.990 210 T CA -0.632 61.356 62.100 -0.185 0.000 0.976 210 T CB 1.109 69.697 68.868 -0.467 0.000 0.970 210 T HN 0.063 8.303 8.240 -0.000 0.000 0.438 211 V N 4.446 124.256 119.914 -0.174 0.000 2.350 211 V HA 0.452 4.563 4.120 -0.015 0.000 0.285 211 V C -0.494 175.510 176.094 -0.149 0.000 1.014 211 V CA -0.970 61.238 62.300 -0.154 0.000 0.831 211 V CB 0.447 32.219 31.823 -0.086 0.000 1.000 211 V HN 0.805 8.995 8.190 -0.000 0.000 0.433 212 F N 3.382 123.266 119.950 -0.111 0.000 2.484 212 F HA 0.311 4.829 4.527 -0.015 0.000 0.360 212 F C 1.589 177.429 175.800 0.066 0.000 1.101 212 F CA 0.057 58.040 58.000 -0.029 0.000 1.251 212 F CB 0.620 39.521 39.000 -0.164 0.000 1.132 212 F HN 0.436 8.736 8.300 -0.000 0.000 0.570 213 R N 1.075 121.732 120.500 0.262 0.000 2.115 213 R HA -0.087 4.245 4.340 -0.015 0.000 0.226 213 R C 0.282 176.690 176.300 0.180 0.000 1.100 213 R CA 0.720 56.959 56.100 0.231 0.000 0.980 213 R CB 0.030 30.413 30.300 0.138 0.000 0.875 213 R HN 0.649 8.919 8.270 -0.000 0.000 0.445 214 E N 1.935 122.260 120.200 0.207 0.000 2.217 214 E HA 0.124 4.466 4.350 -0.015 0.000 0.279 214 E C -2.351 174.329 176.600 0.133 0.000 1.068 214 E CA -2.451 54.046 56.400 0.160 0.000 0.882 214 E CB 1.072 30.871 29.700 0.166 0.000 1.039 214 E HN 0.071 8.431 8.360 -0.000 0.000 0.418 215 P HA 0.173 4.593 4.420 -0.000 0.000 0.278 215 P C -0.411 176.928 177.300 0.066 0.000 1.238 215 P CA -0.222 62.901 63.100 0.038 0.000 0.794 215 P CB 0.620 32.344 31.700 0.039 0.000 0.955 216 I N 1.756 122.357 120.570 0.051 0.000 2.692 216 I HA 0.024 4.186 4.170 -0.015 0.000 0.284 216 I C 1.040 177.132 176.117 -0.041 0.000 1.159 216 I CA 0.364 61.659 61.300 -0.009 0.000 1.423 216 I CB 0.047 38.018 38.000 -0.050 0.000 1.380 216 I HN 0.151 8.361 8.210 -0.000 0.000 0.580 217 Q N 5.818 125.583 119.800 -0.058 0.000 2.333 217 Q HA 0.530 4.861 4.340 -0.015 0.000 0.265 217 Q C -1.285 174.634 176.000 -0.134 0.000 0.989 217 Q CA -0.896 54.868 55.803 -0.064 0.000 0.842 217 Q CB 2.384 31.110 28.738 -0.021 0.000 1.262 217 Q HN 0.380 8.650 8.270 -0.000 0.000 0.451 218 L N 1.329 122.455 121.223 -0.162 0.000 2.333 218 L HA 0.328 4.659 4.340 -0.015 0.000 0.269 218 L C 0.066 176.905 176.870 -0.053 0.000 1.010 218 L CA -0.684 54.055 54.840 -0.168 0.000 0.818 218 L CB 1.293 43.180 42.059 -0.286 0.000 1.306 218 L HN 0.573 8.803 8.230 -0.000 0.000 0.430 219 H N 2.243 121.269 119.070 -0.073 0.000 2.790 219 H HA 0.068 4.615 4.556 -0.015 0.000 0.358 219 H C 1.092 176.398 175.328 -0.037 0.000 1.103 219 H CA 0.622 56.647 56.048 -0.039 0.000 1.426 219 H CB 0.994 30.742 29.762 -0.024 0.000 1.424 219 H HN 0.594 8.874 8.280 -0.000 0.000 0.599 220 R N 1.991 122.490 120.500 -0.001 0.000 2.113 220 R HA -0.222 4.109 4.340 -0.015 0.000 0.244 220 R C 2.202 178.608 176.300 0.177 0.000 1.142 220 R CA 2.362 58.510 56.100 0.080 0.000 0.953 220 R CB -0.158 30.151 30.300 0.016 0.000 0.860 220 R HN 0.770 9.040 8.270 -0.000 0.000 0.438 221 E N 0.039 120.433 120.200 0.324 0.000 2.204 221 E HA -0.198 4.144 4.350 -0.015 0.000 0.194 221 E C 1.843 178.473 176.600 0.051 0.000 0.989 221 E CA 1.349 57.812 56.400 0.105 0.000 0.824 221 E CB -0.671 29.024 29.700 -0.008 0.000 0.756 221 E HN 0.718 9.078 8.360 -0.000 0.000 0.477 222 Q N 0.026 119.872 119.800 0.076 0.000 2.084 222 Q HA -0.007 4.324 4.340 -0.015 0.000 0.202 222 Q C 2.571 178.648 176.000 0.129 0.000 0.978 222 Q CA 1.964 57.807 55.803 0.067 0.000 0.844 222 Q CB -0.421 28.353 28.738 0.060 0.000 0.898 222 Q HN 0.524 8.794 8.270 -0.000 0.000 0.426 223 I N 0.346 120.961 120.570 0.075 0.000 2.286 223 I HA -0.253 3.908 4.170 -0.015 0.000 0.245 223 I C 2.112 178.268 176.117 0.065 0.000 1.104 223 I CA 0.925 62.246 61.300 0.035 0.000 1.397 223 I CB -0.174 37.806 38.000 -0.034 0.000 1.072 223 I HN 0.177 8.387 8.210 -0.000 0.000 0.417 224 L N 0.647 121.899 121.223 0.047 0.000 2.201 224 L HA -0.154 4.178 4.340 -0.015 0.000 0.212 224 L C 2.816 179.684 176.870 -0.003 0.000 1.105 224 L CA 0.883 55.739 54.840 0.028 0.000 0.775 224 L CB -0.583 41.491 42.059 0.025 0.000 0.913 224 L HN 0.247 8.477 8.230 -0.000 0.000 0.440 225 A N -0.000 122.807 122.820 -0.021 0.000 1.986 225 A HA -0.225 4.086 4.320 -0.015 0.000 0.220 225 A C 1.708 179.139 177.584 -0.254 0.000 1.171 225 A CA 1.361 53.315 52.037 -0.139 0.000 0.640 225 A CB -0.848 18.032 19.000 -0.201 0.000 0.811 225 A HN 0.374 8.524 8.150 -0.000 0.000 0.451 226 F N 0.541 120.260 119.950 -0.385 0.000 2.754 226 F HA -0.062 4.457 4.527 -0.014 0.000 0.298 226 F C 1.687 177.287 175.800 -0.333 0.000 1.234 226 F CA 0.967 58.579 58.000 -0.646 0.000 1.460 226 F CB -0.905 37.181 39.000 -1.523 0.000 1.120 226 F HN 0.385 8.685 8.300 -0.000 0.000 0.592 227 Q N -0.539 119.210 119.800 -0.085 0.000 1.785 227 Q HA -0.431 3.900 4.340 -0.015 0.000 0.159 227 Q C 1.682 177.587 176.000 -0.158 0.000 1.336 227 Q CA 2.507 58.245 55.803 -0.107 0.000 1.515 227 Q CB -0.736 27.961 28.738 -0.068 0.000 1.714 227 Q HN 0.506 8.776 8.270 -0.000 0.000 0.685 228 K N -0.575 119.717 120.400 -0.179 0.000 2.348 228 K HA 0.229 4.540 4.320 -0.015 0.000 0.194 228 K C 0.323 176.832 176.600 -0.150 0.000 1.052 228 K CA 0.117 56.315 56.287 -0.149 0.000 1.004 228 K CB 0.586 32.983 32.500 -0.171 0.000 0.873 228 K HN 0.085 8.335 8.250 -0.000 0.000 0.523 229 L N 0.644 121.741 121.223 -0.211 0.000 2.334 229 L HA 0.437 4.768 4.340 -0.015 0.000 0.272 229 L C -0.848 175.826 176.870 -0.327 0.000 1.020 229 L CA -1.158 53.612 54.840 -0.118 0.000 0.812 229 L CB 0.914 42.990 42.059 0.028 0.000 1.264 229 L HN -0.101 8.129 8.230 -0.000 0.000 0.439 230 Y N -0.718 119.589 120.300 0.011 0.000 2.536 230 Y HA 0.285 4.826 4.550 -0.015 0.000 0.347 230 Y C 0.035 175.942 175.900 0.011 0.000 1.000 230 Y CA -0.522 57.584 58.100 0.009 0.000 1.051 230 Y CB 1.552 40.033 38.460 0.035 0.000 1.259 230 Y HN 0.312 8.592 8.280 -0.000 0.000 0.468 231 Y N 0.140 120.552 120.300 0.186 0.000 2.395 231 Y HA -0.073 4.468 4.550 -0.014 0.000 0.293 231 Y C 0.611 176.524 175.900 0.022 0.000 1.123 231 Y CA 0.717 58.859 58.100 0.070 0.000 1.227 231 Y CB 0.154 38.645 38.460 0.051 0.000 1.012 231 Y HN 0.520 8.800 8.280 -0.000 0.000 0.552 232 D N -1.069 119.466 120.400 0.226 0.000 2.342 232 D HA 0.175 4.806 4.640 -0.015 0.000 0.243 232 D C -0.125 176.190 176.300 0.026 0.000 1.019 232 D CA -0.630 53.420 54.000 0.084 0.000 0.864 232 D CB 1.970 42.809 40.800 0.065 0.000 1.315 232 D HN -0.223 8.147 8.370 -0.000 0.000 0.468 237 Q N 0.063 119.698 119.800 -0.275 0.000 2.460 237 Q HA -0.214 4.117 4.340 -0.015 0.000 0.311 237 Q C 0.356 176.002 176.000 -0.590 0.000 1.396 237 Q CA 1.206 56.547 55.803 -0.768 0.000 0.838 237 Q CB -2.087 26.067 28.738 -0.974 0.000 1.140 237 Q HN 0.519 8.789 8.270 -0.000 0.000 0.415 238 T N -5.458 109.030 114.554 -0.111 0.000 2.975 238 T HA 0.354 4.696 4.350 -0.015 0.000 0.257 238 T C 0.403 175.250 174.700 0.244 0.000 1.003 238 T CA 0.326 62.468 62.100 0.070 0.000 0.932 238 T CB 0.778 69.665 68.868 0.031 0.000 1.087 238 T HN 0.083 8.323 8.240 -0.000 0.000 0.512 239 V N 2.546 122.675 119.914 0.358 0.000 2.376 239 V HA 0.474 4.585 4.120 -0.015 0.000 0.287 239 V C -0.046 176.266 176.094 0.364 0.000 1.015 239 V CA -0.980 61.520 62.300 0.333 0.000 0.834 239 V CB 1.274 33.276 31.823 0.298 0.000 1.001 239 V HN 0.349 8.539 8.190 -0.000 0.000 0.428 240 S N 5.255 121.052 115.700 0.161 0.000 2.552 240 S HA 0.197 4.659 4.470 -0.015 0.000 0.289 240 S C 0.131 174.662 174.600 -0.114 0.000 1.304 240 S CA -0.015 58.108 58.200 -0.128 0.000 1.063 240 S CB 0.322 63.448 63.200 -0.123 0.000 0.848 240 S HN 0.780 9.090 8.310 -0.000 0.000 0.499 241 M N 5.081 124.498 119.600 -0.306 0.000 2.220 241 M HA 0.216 4.687 4.480 -0.015 0.000 0.343 241 M C -0.352 175.806 176.300 -0.237 0.000 1.470 241 M CA 0.248 55.135 55.300 -0.688 0.000 1.161 241 M CB -0.546 31.779 32.600 -0.459 0.000 1.737 241 M HN 0.733 9.023 8.290 -0.000 0.000 0.464 242 K N 3.036 123.226 120.400 -0.349 0.000 2.607 242 K HA 0.328 4.639 4.320 -0.015 0.000 0.287 242 K C -1.109 175.364 176.600 -0.211 0.000 0.996 242 K CA -0.919 55.218 56.287 -0.250 0.000 0.876 242 K CB 0.829 33.358 32.500 0.047 0.000 1.496 242 K HN 0.554 8.804 8.250 -0.000 0.000 0.415 243 D N 1.146 121.393 120.400 -0.255 0.000 2.708 243 D HA -0.141 4.490 4.640 -0.015 0.000 0.236 243 D C -0.745 175.389 176.300 -0.276 0.000 1.146 243 D CA 1.194 55.089 54.000 -0.175 0.000 0.662 243 D CB -1.172 39.603 40.800 -0.042 0.000 1.059 243 D HN 0.724 9.094 8.370 -0.000 0.000 0.428 244 N N -0.261 118.109 118.700 -0.550 0.000 3.303 244 N HA 0.224 4.955 4.740 -0.015 0.000 0.304 244 N C -0.567 174.406 175.510 -0.894 0.000 1.302 244 N CA -0.228 52.173 53.050 -1.080 0.000 1.213 244 N CB 0.721 38.771 38.487 -0.729 0.000 1.481 244 N HN 0.020 8.400 8.380 -0.000 0.000 0.546 245 V N 0.568 120.129 119.914 -0.588 0.000 2.531 245 V HA 0.360 4.471 4.120 -0.015 0.000 0.301 245 V C 0.266 176.438 176.094 0.131 0.000 1.034 245 V CA -1.022 61.211 62.300 -0.113 0.000 0.865 245 V CB 2.124 33.906 31.823 -0.069 0.000 0.995 245 V HN 0.452 8.642 8.190 -0.000 0.000 0.424 246 R N 5.354 125.993 120.500 0.232 0.000 2.438 246 R HA 0.382 4.713 4.340 -0.015 0.000 0.287 246 R C -2.386 173.918 176.300 0.007 0.000 1.077 246 R CA -1.390 54.817 56.100 0.178 0.000 1.034 246 R CB 1.176 31.592 30.300 0.194 0.000 0.993 246 R HN 0.425 8.695 8.270 -0.000 0.000 0.459 247 P HA -0.024 4.396 4.420 -0.000 0.000 0.269 247 P C -0.472 176.776 177.300 -0.087 0.000 1.215 247 P CA -0.022 63.034 63.100 -0.072 0.000 0.780 247 P CB 0.428 32.065 31.700 -0.106 0.000 0.898 248 L N 1.964 123.146 121.223 -0.069 0.000 2.485 248 L HA 0.020 4.351 4.340 -0.015 0.000 0.275 248 L C 1.124 177.932 176.870 -0.103 0.000 1.207 248 L CA 0.340 55.121 54.840 -0.099 0.000 0.855 248 L CB -0.114 41.905 42.059 -0.067 0.000 1.114 248 L HN 0.316 8.546 8.230 -0.000 0.000 0.485 249 Q N 1.942 121.668 119.800 -0.122 0.000 2.297 249 Q HA 0.363 4.694 4.340 -0.015 0.000 0.268 249 Q C -0.785 175.157 176.000 -0.095 0.000 1.045 249 Q CA -0.959 54.788 55.803 -0.095 0.000 0.861 249 Q CB 1.746 30.437 28.738 -0.079 0.000 1.344 249 Q HN 0.376 8.646 8.270 -0.000 0.000 0.452 250 Q N 1.376 121.135 119.800 -0.069 0.000 2.304 250 Q HA 0.075 4.407 4.340 -0.015 0.000 0.260 250 Q C 0.862 176.823 176.000 -0.065 0.000 0.965 250 Q CA -0.110 55.654 55.803 -0.065 0.000 0.898 250 Q CB 1.097 29.808 28.738 -0.045 0.000 1.196 250 Q HN 0.554 8.824 8.270 -0.000 0.000 0.402 251 L N 2.977 124.149 121.223 -0.084 0.000 2.056 251 L HA -0.052 4.280 4.340 -0.015 0.000 0.207 251 L C 1.095 177.944 176.870 -0.035 0.000 1.078 251 L CA 2.440 57.229 54.840 -0.085 0.000 0.749 251 L CB -0.709 41.282 42.059 -0.113 0.000 0.901 251 L HN 0.956 9.186 8.230 -0.000 0.000 0.433 252 G N -1.219 107.563 108.800 -0.031 0.000 2.556 252 G HA2 -0.400 3.551 3.960 -0.015 0.000 0.283 252 G HA3 -0.400 3.551 3.960 -0.015 0.000 0.283 252 G C 0.587 175.483 174.900 -0.006 0.000 1.177 252 G CA 0.386 45.478 45.100 -0.013 0.000 0.978 252 G HN 0.337 8.627 8.290 -0.000 0.000 0.554 253 Q N 1.277 121.081 119.800 0.007 0.000 2.472 253 Q HA 0.123 4.455 4.340 -0.015 0.000 0.208 253 Q C 1.744 177.756 176.000 0.020 0.000 0.958 253 Q CA 0.685 56.495 55.803 0.011 0.000 0.932 253 Q CB 0.031 28.778 28.738 0.015 0.000 1.007 253 Q HN 0.598 8.868 8.270 -0.000 0.000 0.508 254 R N 0.920 121.437 120.500 0.028 0.000 2.615 254 R HA 0.268 4.599 4.340 -0.015 0.000 0.270 254 R C 0.466 176.788 176.300 0.036 0.000 1.081 254 R CA 0.255 56.385 56.100 0.051 0.000 1.154 254 R CB 0.442 30.796 30.300 0.089 0.000 1.063 254 R HN 0.032 8.302 8.270 -0.000 0.000 0.519 255 T N -2.196 112.392 114.554 0.057 0.000 2.885 255 T HA 0.496 4.837 4.350 -0.015 0.000 0.285 255 T C -0.254 174.497 174.700 0.084 0.000 1.019 255 T CA -0.872 61.256 62.100 0.047 0.000 1.010 255 T CB 1.551 70.443 68.868 0.040 0.000 1.022 255 T HN 0.160 8.400 8.240 -0.000 0.000 0.466 256 V N 4.369 124.320 119.914 0.062 0.000 2.472 256 V HA 0.567 4.678 4.120 -0.015 0.000 0.290 256 V C 0.470 176.637 176.094 0.122 0.000 1.037 256 V CA -0.910 61.457 62.300 0.111 0.000 0.908 256 V CB 0.790 32.631 31.823 0.031 0.000 0.985 256 V HN 0.986 9.176 8.190 -0.000 0.000 0.454 257 I N 2.168 122.829 120.570 0.150 0.000 3.023 257 I HA 0.865 5.027 4.170 -0.015 0.000 0.312 257 I C -0.560 175.620 176.117 0.104 0.000 1.056 257 I CA -0.953 60.408 61.300 0.102 0.000 1.033 257 I CB 2.242 40.275 38.000 0.056 0.000 1.233 257 I HN 0.741 8.951 8.210 -0.000 0.000 0.462 258 K N 1.525 121.919 120.400 -0.011 0.000 2.512 258 K HA 0.591 4.902 4.320 -0.015 0.000 0.263 258 K C -0.850 175.566 176.600 -0.307 0.000 0.966 258 K CA -0.638 55.530 56.287 -0.199 0.000 0.851 258 K CB 1.945 34.309 32.500 -0.226 0.000 1.395 258 K HN 0.841 9.091 8.250 -0.000 0.000 0.440 259 S N 0.000 115.362 115.700 -0.563 0.000 2.498 259 S HA 0.000 4.461 4.470 -0.015 0.000 0.327 259 S CA 0.000 57.869 58.200 -0.552 0.000 1.107 259 S CB 0.000 62.575 63.200 -1.042 0.000 0.593 259 S HN 0.000 8.310 8.310 -0.000 0.000 0.517