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 2e6v_1_C DATA FIRST_RESID 53 DATA SEQUENCE HLKREHSLIK PYXXXXXXXX PLWDFQGSTI LTSQYVRLTP DERSKEGSIW DATA SEQUENCE NHQPCFLKDW EMHVHFKVHG TXXKNLHGDG IALWYTRDRL VPGPVFGSKD DATA SEQUENCE NFHGLAIFLD TYPNDETTER VFPYISVMVN NGSLSYDHSK DGRWTELAGc DATA SEQUENCE TADFRNRDHD TFLAVRYSRG RLTVMTDLED KNEWKNcIDI TGVRLPTGYY DATA SEQUENCE FGASAGTGDL SDNHDIISMK LFQLMVEHTP DEENIDWTKI EPSVNF 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 53 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 53 H C 0.000 175.458 175.328 0.216 0.000 0.993 53 H CA 0.000 56.161 56.048 0.189 0.000 1.023 53 H CB 0.000 29.891 29.762 0.215 0.000 1.292 54 L N 2.327 123.666 121.223 0.194 0.000 2.357 54 L HA 0.526 4.866 4.340 -0.001 0.000 0.273 54 L C -0.365 176.459 176.870 -0.077 0.000 1.080 54 L CA -0.188 54.549 54.840 -0.172 0.000 0.803 54 L CB 0.681 42.581 42.059 -0.265 0.000 1.174 54 L HN -0.157 8.073 8.230 -0.000 0.000 0.443 55 K N 4.430 124.759 120.400 -0.119 0.000 2.527 55 K HA 0.246 4.566 4.320 -0.001 0.000 0.240 55 K C 0.422 177.001 176.600 -0.035 0.000 0.989 55 K CA -0.480 55.794 56.287 -0.022 0.000 0.985 55 K CB 1.296 33.844 32.500 0.080 0.000 1.221 55 K HN 0.613 8.863 8.250 -0.000 0.000 0.458 56 R N 2.837 123.321 120.500 -0.028 0.000 2.139 56 R HA -0.179 4.160 4.340 -0.001 0.000 0.243 56 R C 1.517 177.838 176.300 0.035 0.000 1.145 56 R CA 2.110 58.217 56.100 0.011 0.000 0.976 56 R CB 0.121 30.429 30.300 0.014 0.000 0.866 56 R HN 0.625 8.895 8.270 -0.000 0.000 0.449 57 E N -0.815 119.342 120.200 -0.073 0.000 2.409 57 E HA -0.202 4.148 4.350 -0.001 0.000 0.198 57 E C 0.205 176.666 176.600 -0.231 0.000 1.024 57 E CA 1.149 57.446 56.400 -0.172 0.000 0.861 57 E CB -0.136 29.391 29.700 -0.289 0.000 0.788 57 E HN 0.580 8.940 8.360 -0.000 0.000 0.521 58 H N -0.041 119.095 119.070 0.109 0.000 2.662 58 H HA 0.423 4.979 4.556 -0.001 0.000 0.268 58 H C -0.309 175.191 175.328 0.286 0.000 1.152 58 H CA -0.319 55.798 56.048 0.115 0.000 1.072 58 H CB 0.818 30.601 29.762 0.035 0.000 1.660 58 H HN -0.045 8.235 8.280 -0.000 0.000 0.584 59 S N 1.235 117.191 115.700 0.427 0.000 2.537 59 S HA 0.433 4.903 4.470 -0.001 0.000 0.301 59 S C -0.560 174.273 174.600 0.387 0.000 1.092 59 S CA -0.617 57.779 58.200 0.327 0.000 1.048 59 S CB 2.283 65.531 63.200 0.080 0.000 1.053 59 S HN 0.161 8.471 8.310 -0.000 0.000 0.501 60 L N 3.929 125.139 121.223 -0.023 0.000 2.316 60 L HA 0.688 5.028 4.340 -0.001 0.000 0.280 60 L C -1.469 175.383 176.870 -0.031 0.000 1.006 60 L CA -0.050 54.562 54.840 -0.380 0.000 0.836 60 L CB 0.209 41.605 42.059 -1.106 0.000 1.221 60 L HN 0.634 8.864 8.230 -0.000 0.000 0.418 61 I N 3.480 124.098 120.570 0.080 0.000 2.769 61 I HA 0.356 4.526 4.170 -0.001 0.000 0.298 61 I C -0.212 175.733 176.117 -0.286 0.000 1.128 61 I CA -1.145 60.164 61.300 0.015 0.000 1.031 61 I CB 2.256 40.256 38.000 -0.001 0.000 1.235 61 I HN 0.422 8.632 8.210 -0.000 0.000 0.423 62 K N 4.922 125.027 120.400 -0.492 0.000 2.504 62 K HA 0.029 4.348 4.320 -0.001 0.000 0.278 62 K C -1.801 174.546 176.600 -0.421 0.000 1.025 62 K CA -0.410 55.438 56.287 -0.732 0.000 1.093 62 K CB 0.317 32.586 32.500 -0.385 0.000 0.873 62 K HN 0.337 8.587 8.250 -0.000 0.000 0.483 63 P HA 0.105 4.525 4.420 -0.000 0.000 0.262 63 P C -1.155 175.838 177.300 -0.512 0.000 1.651 63 P CA -0.396 62.343 63.100 -0.601 0.000 1.119 63 P CB 0.008 31.547 31.700 -0.269 0.000 1.552 74 L N -0.327 120.967 121.223 0.119 0.000 2.465 74 L HA 0.127 4.466 4.340 -0.001 0.000 0.224 74 L C -0.124 176.748 176.870 0.004 0.000 1.145 74 L CA 1.236 56.145 54.840 0.114 0.000 0.834 74 L CB -0.154 42.041 42.059 0.228 0.000 0.944 74 L HN 0.377 8.607 8.230 -0.000 0.000 0.451 75 W N -1.081 120.347 121.300 0.213 0.000 3.274 75 W HA 0.369 5.029 4.660 -0.001 0.000 0.327 75 W C -0.875 175.817 176.519 0.289 0.000 1.172 75 W CA -0.816 56.690 57.345 0.268 0.000 1.217 75 W CB 1.197 30.798 29.460 0.234 0.000 1.376 75 W HN -0.251 7.929 8.180 -0.000 0.000 0.507 76 D N 2.303 123.002 120.400 0.498 0.000 2.342 76 D HA 0.603 5.243 4.640 -0.001 0.000 0.243 76 D C -0.923 175.643 176.300 0.443 0.000 1.019 76 D CA -0.482 53.724 54.000 0.343 0.000 0.864 76 D CB 2.382 43.290 40.800 0.180 0.000 1.315 76 D HN 0.218 8.588 8.370 -0.000 0.000 0.468 77 F N -0.750 119.325 119.950 0.207 0.000 2.603 77 F HA 0.587 5.114 4.527 -0.001 0.000 0.317 77 F C -0.548 175.336 175.800 0.140 0.000 1.066 77 F CA -0.984 57.129 58.000 0.188 0.000 0.941 77 F CB 1.693 40.774 39.000 0.135 0.000 1.291 77 F HN 0.239 8.539 8.300 -0.000 0.000 0.472 78 Q N 1.492 121.463 119.800 0.286 0.000 2.648 78 Q HA 0.690 5.030 4.340 -0.001 0.000 0.300 78 Q C -0.049 176.066 176.000 0.191 0.000 0.954 78 Q CA -0.704 55.188 55.803 0.148 0.000 0.757 78 Q CB 1.861 30.639 28.738 0.066 0.000 1.482 78 Q HN 1.867 10.137 8.270 -0.000 0.000 0.437 79 G N 1.389 110.266 108.800 0.127 0.000 2.527 79 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.268 79 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.268 79 G C 0.681 175.660 174.900 0.131 0.000 1.175 79 G CA 0.944 46.112 45.100 0.114 0.000 0.962 79 G HN 1.542 9.832 8.290 -0.000 0.000 0.560 80 S N -0.347 115.423 115.700 0.117 0.000 2.507 80 S HA 0.173 4.643 4.470 -0.001 0.000 0.235 80 S C 1.203 175.876 174.600 0.122 0.000 0.988 80 S CA 1.738 60.002 58.200 0.108 0.000 0.944 80 S CB -0.509 62.743 63.200 0.088 0.000 0.762 80 S HN 1.290 9.600 8.310 -0.000 0.000 0.526 81 T N 2.652 117.301 114.554 0.158 0.000 2.934 81 T HA 0.367 4.717 4.350 -0.001 0.000 0.306 81 T C -0.194 174.547 174.700 0.067 0.000 1.042 81 T CA 0.396 62.568 62.100 0.119 0.000 1.145 81 T CB 0.191 69.171 68.868 0.187 0.000 0.982 81 T HN 0.313 8.553 8.240 -0.000 0.000 0.544 82 I N 2.538 123.066 120.570 -0.070 0.000 2.656 82 I HA 0.323 4.492 4.170 -0.001 0.000 0.292 82 I C -1.197 174.773 176.117 -0.245 0.000 1.144 82 I CA -0.954 60.282 61.300 -0.107 0.000 1.038 82 I CB 2.024 40.028 38.000 0.007 0.000 1.244 82 I HN 0.341 8.551 8.210 -0.000 0.000 0.420 83 L N 5.402 126.425 121.223 -0.334 0.000 2.307 83 L HA 0.640 4.980 4.340 -0.001 0.000 0.282 83 L C 0.421 177.196 176.870 -0.159 0.000 1.051 83 L CA 0.062 54.719 54.840 -0.305 0.000 0.804 83 L CB 1.593 43.443 42.059 -0.348 0.000 1.197 83 L HN 0.705 8.935 8.230 -0.000 0.000 0.431 84 T N -2.080 112.369 114.554 -0.176 0.000 2.858 84 T HA 0.363 4.713 4.350 -0.001 0.000 0.285 84 T C 1.066 175.690 174.700 -0.127 0.000 1.052 84 T CA 0.112 62.081 62.100 -0.220 0.000 1.009 84 T CB 1.173 69.748 68.868 -0.488 0.000 1.241 84 T HN 0.487 8.727 8.240 -0.000 0.000 0.542 85 S N -0.200 115.394 115.700 -0.177 0.000 2.423 85 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 85 S C 1.491 175.989 174.600 -0.170 0.000 1.014 85 S CA 0.617 58.727 58.200 -0.152 0.000 0.965 85 S CB -0.464 62.659 63.200 -0.128 0.000 0.785 85 S HN 0.629 8.939 8.310 -0.000 0.000 0.495 86 Q N -0.046 119.612 119.800 -0.237 0.000 2.378 86 Q HA 0.330 4.670 4.340 -0.001 0.000 0.229 86 Q C -0.458 175.591 176.000 0.081 0.000 0.882 86 Q CA 0.414 56.143 55.803 -0.123 0.000 0.936 86 Q CB 0.577 29.264 28.738 -0.086 0.000 1.092 86 Q HN 0.908 9.178 8.270 -0.000 0.000 0.535 87 Y N -4.272 116.152 120.300 0.207 0.000 2.641 87 Y HA 0.575 5.125 4.550 -0.001 0.000 0.333 87 Y C -0.886 174.913 175.900 -0.169 0.000 1.174 87 Y CA -1.698 56.434 58.100 0.053 0.000 1.057 87 Y CB 0.543 38.975 38.460 -0.048 0.000 1.322 87 Y HN -0.346 7.934 8.280 -0.000 0.000 0.457 88 V N 2.811 122.589 119.914 -0.226 0.000 2.383 88 V HA 0.488 4.607 4.120 -0.001 0.000 0.275 88 V C -0.065 176.026 176.094 -0.006 0.000 1.036 88 V CA -0.576 61.549 62.300 -0.292 0.000 0.889 88 V CB 1.066 32.568 31.823 -0.535 0.000 0.985 88 V HN 0.755 8.945 8.190 -0.000 0.000 0.459 89 R N 4.217 124.768 120.500 0.085 0.000 2.215 89 R HA 0.466 4.805 4.340 -0.001 0.000 0.336 89 R C 0.517 176.836 176.300 0.031 0.000 0.996 89 R CA -0.455 55.693 56.100 0.079 0.000 0.847 89 R CB 0.730 31.119 30.300 0.150 0.000 1.127 89 R HN 0.755 9.025 8.270 -0.000 0.000 0.465 90 L N 2.203 123.452 121.223 0.044 0.000 2.095 90 L HA 0.049 4.389 4.340 -0.001 0.000 0.204 90 L C 1.046 177.974 176.870 0.095 0.000 1.080 90 L CA 1.001 55.879 54.840 0.064 0.000 0.759 90 L CB -0.243 41.855 42.059 0.065 0.000 0.914 90 L HN 0.686 8.916 8.230 -0.000 0.000 0.439 91 T N -3.016 111.614 114.554 0.127 0.000 2.893 91 T HA 0.536 4.886 4.350 -0.001 0.000 0.293 91 T C -2.843 171.907 174.700 0.083 0.000 1.027 91 T CA -2.077 60.101 62.100 0.130 0.000 0.988 91 T CB 2.680 71.663 68.868 0.192 0.000 1.043 91 T HN -0.238 8.002 8.240 -0.000 0.000 0.461 92 P HA 0.291 4.711 4.420 -0.000 0.000 0.279 92 P C -0.418 176.873 177.300 -0.014 0.000 1.276 92 P CA -0.303 62.797 63.100 0.001 0.000 0.801 92 P CB 0.558 32.269 31.700 0.018 0.000 1.127 93 D N 0.319 120.681 120.400 -0.064 0.000 2.745 93 D HA 0.058 4.698 4.640 -0.001 0.000 0.229 93 D C -0.433 175.858 176.300 -0.015 0.000 1.088 93 D CA 0.489 54.452 54.000 -0.061 0.000 1.054 93 D CB -0.717 40.022 40.800 -0.103 0.000 1.132 93 D HN 0.235 8.605 8.370 -0.000 0.000 0.464 94 E N 0.086 120.292 120.200 0.010 0.000 2.369 94 E HA 0.403 4.752 4.350 -0.001 0.000 0.270 94 E C -0.099 176.516 176.600 0.025 0.000 0.909 94 E CA -0.974 55.435 56.400 0.015 0.000 0.775 94 E CB 1.897 31.608 29.700 0.018 0.000 1.270 94 E HN 0.087 8.447 8.360 -0.000 0.000 0.445 95 R N 0.545 121.053 120.500 0.014 0.000 2.641 95 R HA 0.235 4.575 4.340 -0.001 0.000 0.269 95 R C -0.272 176.036 176.300 0.014 0.000 1.074 95 R CA -0.120 55.986 56.100 0.010 0.000 1.133 95 R CB 0.526 30.823 30.300 -0.004 0.000 1.029 95 R HN 0.584 8.854 8.270 -0.000 0.000 0.488 96 S N 1.042 116.747 115.700 0.009 0.000 3.608 96 S HA -0.114 4.356 4.470 -0.001 0.000 0.382 96 S C -0.571 174.041 174.600 0.020 0.000 0.945 96 S CA 1.010 59.214 58.200 0.006 0.000 1.256 96 S CB -0.785 62.414 63.200 -0.002 0.000 0.913 96 S HN 0.427 8.737 8.310 -0.000 0.000 0.518 97 K N 1.259 121.679 120.400 0.034 0.000 2.328 97 K HA 0.686 5.006 4.320 -0.001 0.000 0.246 97 K C -0.035 176.598 176.600 0.055 0.000 0.955 97 K CA -0.599 55.718 56.287 0.049 0.000 0.817 97 K CB 1.726 34.266 32.500 0.065 0.000 1.208 97 K HN 0.419 8.669 8.250 -0.000 0.000 0.432 98 E N -0.103 120.136 120.200 0.065 0.000 2.291 98 E HA 0.566 4.916 4.350 -0.001 0.000 0.276 98 E C -1.025 175.636 176.600 0.101 0.000 0.896 98 E CA -0.755 55.691 56.400 0.077 0.000 0.774 98 E CB 2.328 32.066 29.700 0.064 0.000 1.227 98 E HN 0.732 9.092 8.360 -0.000 0.000 0.413 99 G N 0.995 109.867 108.800 0.120 0.000 2.753 99 G HA2 0.558 4.518 3.960 -0.001 0.000 0.297 99 G HA3 0.558 4.518 3.960 -0.001 0.000 0.297 99 G C -1.045 173.951 174.900 0.161 0.000 1.430 99 G CA -0.515 44.670 45.100 0.142 0.000 1.040 99 G HN 0.405 8.695 8.290 -0.000 0.000 0.530 100 S N 0.445 116.270 115.700 0.208 0.000 2.627 100 S HA 0.855 5.324 4.470 -0.001 0.000 0.283 100 S C -1.040 173.708 174.600 0.248 0.000 1.127 100 S CA -0.858 57.470 58.200 0.213 0.000 0.863 100 S CB 2.188 65.601 63.200 0.356 0.000 1.121 100 S HN 1.165 9.475 8.310 -0.000 0.000 0.479 101 I N 0.869 121.513 120.570 0.124 0.000 2.607 101 I HA 0.666 4.836 4.170 -0.001 0.000 0.290 101 I C -2.322 173.917 176.117 0.205 0.000 1.129 101 I CA -0.659 60.802 61.300 0.269 0.000 1.042 101 I CB 1.518 39.620 38.000 0.170 0.000 1.242 101 I HN 0.900 9.110 8.210 -0.000 0.000 0.421 102 W N 6.218 127.787 121.300 0.448 0.000 2.957 102 W HA 0.408 5.068 4.660 -0.001 0.000 0.336 102 W C -0.205 176.400 176.519 0.143 0.000 1.087 102 W CA -0.449 57.076 57.345 0.299 0.000 1.235 102 W CB 1.538 31.026 29.460 0.046 0.000 1.399 102 W HN 0.403 8.583 8.180 -0.000 0.000 0.480 103 N N 1.545 120.216 118.700 -0.049 0.000 2.454 103 N HA -0.103 4.637 4.740 -0.001 0.000 0.254 103 N C 0.926 176.371 175.510 -0.107 0.000 1.228 103 N CA 0.253 52.862 53.050 -0.736 0.000 0.900 103 N CB 0.691 38.753 38.487 -0.708 0.000 1.089 103 N HN 0.697 9.077 8.380 -0.000 0.000 0.449 104 H N 1.240 120.186 119.070 -0.205 0.000 2.448 104 H HA 0.105 4.661 4.556 -0.001 0.000 0.292 104 H C -0.081 175.337 175.328 0.150 0.000 1.035 104 H CA 1.025 57.061 56.048 -0.021 0.000 1.349 104 H CB 0.393 30.141 29.762 -0.023 0.000 1.425 104 H HN 0.485 8.765 8.280 -0.000 0.000 0.539 105 Q N 1.117 121.045 119.800 0.214 0.000 2.241 105 Q HA 0.301 4.641 4.340 -0.001 0.000 0.254 105 Q C -2.477 173.618 176.000 0.158 0.000 0.917 105 Q CA -2.929 53.010 55.803 0.228 0.000 0.919 105 Q CB 1.465 30.309 28.738 0.176 0.000 1.237 105 Q HN 0.229 8.499 8.270 -0.000 0.000 0.434 106 P HA 0.088 4.508 4.420 -0.000 0.000 0.275 106 P C -0.700 176.330 177.300 -0.450 0.000 1.228 106 P CA -0.449 62.237 63.100 -0.690 0.000 0.786 106 P CB 0.701 31.909 31.700 -0.821 0.000 0.927 107 C N 3.874 122.798 119.300 -0.625 0.000 2.369 107 C HA 0.456 4.916 4.460 -0.001 0.000 0.358 107 C C 0.429 175.126 174.990 -0.487 0.000 1.274 107 C CA -0.262 58.459 59.018 -0.495 0.000 1.935 107 C CB -1.678 25.745 27.740 -0.528 0.000 2.431 107 C HN 0.550 8.780 8.230 -0.000 0.000 0.545 108 F N 4.815 124.807 119.950 0.070 0.000 2.668 108 F HA 0.364 4.890 4.527 -0.001 0.000 0.301 108 F C 0.549 176.389 175.800 0.065 0.000 1.106 108 F CA -0.334 57.703 58.000 0.062 0.000 1.289 108 F CB 0.006 39.031 39.000 0.041 0.000 1.006 108 F HN 0.379 8.679 8.300 -0.000 0.000 0.535 109 L N 0.523 121.875 121.223 0.215 0.000 2.371 109 L HA 0.284 4.624 4.340 -0.001 0.000 0.272 109 L C 1.048 178.068 176.870 0.250 0.000 1.124 109 L CA -0.276 54.691 54.840 0.212 0.000 0.816 109 L CB 1.172 43.400 42.059 0.281 0.000 1.129 109 L HN 0.101 8.331 8.230 -0.000 0.000 0.448 110 K N 0.169 120.609 120.400 0.067 0.000 2.242 110 K HA 0.104 4.424 4.320 -0.001 0.000 0.200 110 K C -0.412 176.225 176.600 0.062 0.000 1.050 110 K CA 0.528 56.803 56.287 -0.020 0.000 0.981 110 K CB 0.365 32.521 32.500 -0.574 0.000 0.795 110 K HN 0.556 8.806 8.250 -0.000 0.000 0.477 111 D N 1.009 121.444 120.400 0.058 0.000 2.462 111 D HA 0.152 4.792 4.640 -0.001 0.000 0.245 111 D C -0.710 175.645 176.300 0.091 0.000 1.122 111 D CA -0.370 53.593 54.000 -0.061 0.000 0.864 111 D CB 0.960 41.730 40.800 -0.050 0.000 1.098 111 D HN 0.190 8.560 8.370 -0.000 0.000 0.541 112 W N 0.932 122.269 121.300 0.060 0.000 3.083 112 W HA 0.618 5.277 4.660 -0.001 0.000 0.333 112 W C -1.212 175.353 176.519 0.078 0.000 1.217 112 W CA -1.002 56.391 57.345 0.079 0.000 1.170 112 W CB 1.675 31.203 29.460 0.114 0.000 1.437 112 W HN 0.149 8.329 8.180 -0.000 0.000 0.557 113 E N 2.111 122.625 120.200 0.522 0.000 2.265 113 E HA 0.423 4.773 4.350 -0.001 0.000 0.262 113 E C -1.709 175.150 176.600 0.432 0.000 0.889 113 E CA -0.779 55.867 56.400 0.412 0.000 0.789 113 E CB 2.068 31.886 29.700 0.196 0.000 1.221 113 E HN 0.438 8.798 8.360 -0.000 0.000 0.414 114 M N 4.646 124.511 119.600 0.441 0.000 2.149 114 M HA 0.311 4.791 4.480 -0.001 0.000 0.342 114 M C -1.656 174.887 176.300 0.406 0.000 1.068 114 M CA -0.182 55.264 55.300 0.242 0.000 0.991 114 M CB 0.870 33.462 32.600 -0.013 0.000 1.596 114 M HN 0.499 8.789 8.290 -0.000 0.000 0.439 115 H N 3.928 123.143 119.070 0.242 0.000 2.519 115 H HA 0.570 5.125 4.556 -0.001 0.000 0.316 115 H C -1.052 174.458 175.328 0.303 0.000 1.065 115 H CA -1.103 55.125 56.048 0.301 0.000 1.264 115 H CB 1.137 31.152 29.762 0.422 0.000 1.413 115 H HN 0.427 8.707 8.280 -0.000 0.000 0.465 116 V N 3.974 124.154 119.914 0.443 0.000 2.448 116 V HA 0.044 4.164 4.120 -0.001 0.000 0.295 116 V C -0.131 176.306 176.094 0.571 0.000 1.025 116 V CA -0.626 61.908 62.300 0.390 0.000 0.859 116 V CB 1.394 33.355 31.823 0.231 0.000 0.988 116 V HN 0.817 9.007 8.190 -0.000 0.000 0.431 117 H N 6.097 125.371 119.070 0.341 0.000 2.690 117 H HA 0.557 5.113 4.556 -0.001 0.000 0.289 117 H C -0.967 174.388 175.328 0.045 0.000 1.089 117 H CA -0.721 55.393 56.048 0.109 0.000 1.299 117 H CB 0.606 30.445 29.762 0.128 0.000 1.405 117 H HN 0.622 8.902 8.280 -0.000 0.000 0.463 118 F N 2.737 122.702 119.950 0.025 0.000 2.618 118 F HA 0.625 5.151 4.527 -0.001 0.000 0.332 118 F C -1.465 174.267 175.800 -0.113 0.000 1.061 118 F CA -1.431 56.511 58.000 -0.097 0.000 0.974 118 F CB 1.583 40.510 39.000 -0.123 0.000 1.310 118 F HN 0.283 8.583 8.300 -0.000 0.000 0.491 119 K N 1.895 122.270 120.400 -0.040 0.000 2.588 119 K HA 0.620 4.939 4.320 -0.001 0.000 0.250 119 K C -2.407 174.296 176.600 0.171 0.000 0.972 119 K CA -0.625 55.605 56.287 -0.095 0.000 0.821 119 K CB 2.324 34.682 32.500 -0.238 0.000 1.249 119 K HN 0.716 8.966 8.250 -0.000 0.000 0.442 120 V N 4.786 124.846 119.914 0.244 0.000 2.448 120 V HA 0.534 4.653 4.120 -0.001 0.000 0.295 120 V C -0.959 175.248 176.094 0.189 0.000 1.025 120 V CA -0.630 61.799 62.300 0.215 0.000 0.859 120 V CB 1.102 33.154 31.823 0.381 0.000 0.988 120 V HN 0.983 9.173 8.190 -0.000 0.000 0.431 121 H N 2.055 121.040 119.070 -0.141 0.000 3.079 121 H HA 0.896 5.452 4.556 -0.000 0.000 0.356 121 H C -0.274 174.968 175.328 -0.142 0.000 1.221 121 H CA -0.245 55.720 56.048 -0.139 0.000 1.185 121 H CB 2.003 31.682 29.762 -0.138 0.000 1.882 121 H HN 0.902 9.182 8.280 -0.000 0.000 0.543 122 G N 0.399 109.144 108.800 -0.091 0.000 2.450 122 G HA2 0.510 4.470 3.960 -0.001 0.000 0.273 122 G HA3 0.510 4.470 3.960 -0.001 0.000 0.273 122 G C -0.979 173.897 174.900 -0.039 0.000 1.221 122 G CA -0.283 44.756 45.100 -0.102 0.000 0.900 122 G HN 1.047 9.337 8.290 -0.000 0.000 0.483 127 N N 0.938 119.672 118.700 0.056 0.000 2.328 127 N HA 0.276 5.016 4.740 -0.001 0.000 0.247 127 N C -1.041 174.386 175.510 -0.138 0.000 1.165 127 N CA 0.034 53.070 53.050 -0.023 0.000 0.873 127 N CB 0.481 38.970 38.487 0.003 0.000 1.125 127 N HN 0.128 8.508 8.380 -0.000 0.000 0.513 128 L N 1.498 122.641 121.223 -0.133 0.000 3.083 128 L HA 0.359 4.699 4.340 -0.001 0.000 0.286 128 L C -0.393 176.431 176.870 -0.077 0.000 1.307 128 L CA -0.615 54.157 54.840 -0.112 0.000 0.897 128 L CB -0.168 41.877 42.059 -0.022 0.000 1.306 128 L HN 0.256 8.486 8.230 -0.000 0.000 0.569 129 H N -1.535 117.547 119.070 0.020 0.000 2.894 129 H HA 0.945 5.501 4.556 -0.000 0.000 0.368 129 H C -0.455 174.907 175.328 0.058 0.000 1.181 129 H CA -0.872 55.190 56.048 0.024 0.000 1.146 129 H CB 2.677 32.468 29.762 0.049 0.000 1.839 129 H HN 0.095 8.375 8.280 -0.000 0.000 0.557 130 G N -0.318 108.616 108.800 0.224 0.000 2.349 130 G HA2 0.095 4.054 3.960 -0.001 0.000 0.294 130 G HA3 0.095 4.054 3.960 -0.001 0.000 0.294 130 G C -0.958 174.176 174.900 0.391 0.000 1.380 130 G CA -0.430 44.843 45.100 0.290 0.000 0.811 130 G HN 0.550 8.840 8.290 -0.000 0.000 0.519 131 D N -0.819 119.822 120.400 0.403 0.000 2.455 131 D HA 0.396 5.036 4.640 -0.001 0.000 0.228 131 D C 1.139 177.794 176.300 0.592 0.000 1.070 131 D CA 1.496 55.751 54.000 0.424 0.000 0.881 131 D CB 1.672 42.666 40.800 0.325 0.000 1.087 131 D HN 1.177 9.547 8.370 -0.000 0.000 0.498 132 G N 0.495 109.559 108.800 0.441 0.000 2.369 132 G HA2 0.102 4.062 3.960 -0.001 0.000 0.295 132 G HA3 0.102 4.062 3.960 -0.001 0.000 0.295 132 G C -1.587 173.228 174.900 -0.142 0.000 1.298 132 G CA -0.902 44.385 45.100 0.312 0.000 0.940 132 G HN 0.015 8.305 8.290 -0.000 0.000 0.536 133 I N 0.841 121.259 120.570 -0.254 0.000 2.460 133 I HA 0.657 4.827 4.170 -0.001 0.000 0.298 133 I C 0.597 176.337 176.117 -0.629 0.000 0.989 133 I CA -0.876 60.205 61.300 -0.365 0.000 1.173 133 I CB 1.954 39.777 38.000 -0.295 0.000 1.338 133 I HN 0.899 9.109 8.210 -0.000 0.000 0.456 134 A N 7.046 129.569 122.820 -0.495 0.000 2.331 134 A HA 0.805 5.124 4.320 -0.001 0.000 0.320 134 A C -0.823 176.308 177.584 -0.754 0.000 1.138 134 A CA -0.534 51.093 52.037 -0.683 0.000 0.790 134 A CB 0.897 19.492 19.000 -0.675 0.000 1.206 134 A HN 0.655 8.805 8.150 -0.000 0.000 0.470 135 L N 1.205 121.964 121.223 -0.774 0.000 2.322 135 L HA 0.561 4.900 4.340 -0.001 0.000 0.279 135 L C -0.950 175.518 176.870 -0.669 0.000 1.036 135 L CA -0.315 54.193 54.840 -0.553 0.000 0.807 135 L CB 1.233 43.108 42.059 -0.307 0.000 1.226 135 L HN 0.803 9.033 8.230 -0.000 0.000 0.433 136 W N 1.932 123.159 121.300 -0.122 0.000 2.819 136 W HA 0.405 5.065 4.660 -0.001 0.000 0.337 136 W C -0.962 175.615 176.519 0.097 0.000 1.077 136 W CA -0.566 56.729 57.345 -0.083 0.000 1.226 136 W CB 1.721 31.052 29.460 -0.214 0.000 1.419 136 W HN 0.236 8.416 8.180 -0.000 0.000 0.502 137 Y N 3.782 124.241 120.300 0.265 0.000 2.681 137 Y HA 0.466 5.016 4.550 -0.001 0.000 0.347 137 Y C -0.264 175.762 175.900 0.211 0.000 1.029 137 Y CA -0.777 57.356 58.100 0.056 0.000 1.279 137 Y CB 0.392 38.820 38.460 -0.054 0.000 1.096 137 Y HN 0.353 8.633 8.280 -0.000 0.000 0.580 138 T N 0.208 114.689 114.554 -0.121 0.000 2.907 138 T HA 0.391 4.741 4.350 -0.001 0.000 0.290 138 T C 0.855 174.930 174.700 -1.041 0.000 1.066 138 T CA -0.973 60.895 62.100 -0.387 0.000 1.012 138 T CB 2.277 71.127 68.868 -0.030 0.000 1.184 138 T HN 0.562 8.802 8.240 -0.000 0.000 0.522 139 R N 0.266 119.865 120.500 -1.503 0.000 2.062 139 R HA -0.031 4.308 4.340 -0.001 0.000 0.231 139 R C -0.216 175.818 176.300 -0.443 0.000 1.136 139 R CA 1.300 56.720 56.100 -1.134 0.000 0.948 139 R CB -0.301 29.559 30.300 -0.734 0.000 0.845 139 R HN 0.726 8.996 8.270 -0.000 0.000 0.430 140 D N 0.564 120.694 120.400 -0.450 0.000 2.294 140 D HA 0.151 4.791 4.640 -0.001 0.000 0.250 140 D C -0.133 175.654 176.300 -0.855 0.000 1.058 140 D CA -0.149 53.552 54.000 -0.498 0.000 0.950 140 D CB 1.170 41.726 40.800 -0.408 0.000 1.158 140 D HN 0.314 8.684 8.370 -0.000 0.000 0.453 141 R N -0.370 119.460 120.500 -1.116 0.000 2.836 141 R HA 0.545 4.884 4.340 -0.001 0.000 0.269 141 R C -0.190 175.252 176.300 -1.430 0.000 1.010 141 R CA -0.950 54.005 56.100 -1.907 0.000 0.930 141 R CB 1.070 30.434 30.300 -1.559 0.000 1.218 141 R HN 0.388 8.658 8.270 -0.000 0.000 0.473 142 L N -0.129 120.047 121.223 -1.746 0.000 3.737 142 L HA -0.170 4.169 4.340 -0.001 0.000 0.418 142 L C -0.932 175.680 176.870 -0.431 0.000 1.216 142 L CA 0.130 54.549 54.840 -0.702 0.000 0.915 142 L CB -1.455 40.335 42.059 -0.448 0.000 1.834 142 L HN 0.419 8.649 8.230 -0.000 0.000 0.943 143 V N 0.193 119.852 119.914 -0.426 0.000 2.326 143 V HA 0.410 4.530 4.120 -0.001 0.000 0.281 143 V C -1.523 174.503 176.094 -0.113 0.000 1.015 143 V CA -1.295 60.857 62.300 -0.247 0.000 0.823 143 V CB 1.438 33.098 31.823 -0.271 0.000 1.009 143 V HN 0.004 8.194 8.190 -0.000 0.000 0.436 144 P HA 0.514 4.934 4.420 -0.000 0.000 0.272 144 P C 0.103 177.406 177.300 0.005 0.000 1.223 144 P CA 0.433 63.539 63.100 0.009 0.000 0.784 144 P CB 1.861 33.569 31.700 0.013 0.000 0.923 145 G N 1.189 110.008 108.800 0.032 0.000 2.430 145 G HA2 0.353 4.313 3.960 -0.001 0.000 0.300 145 G HA3 0.353 4.313 3.960 -0.001 0.000 0.300 145 G C -2.746 172.174 174.900 0.033 0.000 1.330 145 G CA -0.691 44.428 45.100 0.033 0.000 0.813 145 G HN 0.202 8.492 8.290 -0.000 0.000 0.487 146 P HA 0.124 4.544 4.420 -0.000 0.000 0.241 146 P C 0.398 177.660 177.300 -0.064 0.000 1.191 146 P CA 0.309 63.382 63.100 -0.044 0.000 0.771 146 P CB 0.376 32.056 31.700 -0.034 0.000 0.929 147 V N 2.056 122.005 119.914 0.059 0.000 2.322 147 V HA 0.153 4.272 4.120 -0.001 0.000 0.258 147 V C 0.360 176.577 176.094 0.206 0.000 1.074 147 V CA -0.394 61.931 62.300 0.042 0.000 0.909 147 V CB -1.954 30.034 31.823 0.274 0.000 1.090 147 V HN 0.035 8.225 8.190 -0.000 0.000 0.486 148 F N 3.465 123.442 119.950 0.046 0.000 3.056 148 F HA -0.241 4.286 4.527 -0.000 0.000 0.266 148 F C 1.665 177.539 175.800 0.123 0.000 0.957 148 F CA 1.148 59.181 58.000 0.056 0.000 0.894 148 F CB -1.700 37.303 39.000 0.005 0.000 0.832 148 F HN 0.804 9.104 8.300 -0.000 0.000 0.745 149 G N -1.222 107.693 108.800 0.191 0.000 2.175 149 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.244 149 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.244 149 G C 0.181 175.197 174.900 0.194 0.000 0.982 149 G CA 0.199 45.401 45.100 0.169 0.000 0.641 149 G HN 0.912 9.202 8.290 -0.000 0.000 0.527 150 S N -0.231 115.616 115.700 0.245 0.000 2.638 150 S HA 0.665 5.135 4.470 -0.001 0.000 0.302 150 S C 0.414 175.047 174.600 0.055 0.000 1.096 150 S CA 0.069 58.338 58.200 0.115 0.000 0.953 150 S CB 0.907 64.096 63.200 -0.018 0.000 1.107 150 S HN 0.849 9.159 8.310 -0.000 0.000 0.503 151 K N 1.619 121.990 120.400 -0.048 0.000 2.469 151 K HA 0.181 4.501 4.320 -0.001 0.000 0.274 151 K C -0.298 176.408 176.600 0.177 0.000 0.983 151 K CA -0.276 56.026 56.287 0.025 0.000 0.974 151 K CB 0.201 32.681 32.500 -0.033 0.000 0.913 151 K HN 0.415 8.665 8.250 -0.000 0.000 0.493 152 D N 0.965 121.495 120.400 0.218 0.000 2.423 152 D HA 0.101 4.741 4.640 -0.001 0.000 0.255 152 D C -0.507 175.944 176.300 0.251 0.000 1.174 152 D CA -0.207 53.992 54.000 0.333 0.000 1.008 152 D CB 0.277 41.226 40.800 0.248 0.000 1.101 152 D HN 0.760 9.130 8.370 -0.000 0.000 0.516 153 N N -0.489 118.300 118.700 0.148 0.000 2.721 153 N HA -0.246 4.494 4.740 -0.001 0.000 0.249 153 N C -0.449 175.044 175.510 -0.027 0.000 1.072 153 N CA 0.782 53.812 53.050 -0.034 0.000 0.710 153 N CB -1.865 36.630 38.487 0.013 0.000 0.993 153 N HN 0.313 8.693 8.380 -0.000 0.000 0.547 154 F N -0.999 119.014 119.950 0.105 0.000 2.480 154 F HA 0.388 4.915 4.527 -0.001 0.000 0.319 154 F C 1.030 176.889 175.800 0.098 0.000 1.230 154 F CA -0.432 57.629 58.000 0.101 0.000 1.285 154 F CB 0.564 39.608 39.000 0.073 0.000 1.208 154 F HN 0.056 8.356 8.300 -0.000 0.000 0.579 155 H N 0.556 119.719 119.070 0.156 0.000 2.587 155 H HA 0.558 5.114 4.556 -0.001 0.000 0.325 155 H C 0.405 175.878 175.328 0.242 0.000 1.012 155 H CA -0.187 55.935 56.048 0.123 0.000 1.213 155 H CB 0.952 30.741 29.762 0.045 0.000 1.431 155 H HN 1.080 9.360 8.280 -0.000 0.000 0.492 156 G N 1.859 110.972 108.800 0.521 0.000 2.280 156 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.277 156 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.277 156 G C -1.889 173.353 174.900 0.570 0.000 1.288 156 G CA -0.903 44.559 45.100 0.604 0.000 1.075 156 G HN 0.495 8.785 8.290 -0.000 0.000 0.480 157 L N 0.842 122.370 121.223 0.510 0.000 2.309 157 L HA 0.898 5.238 4.340 -0.001 0.000 0.282 157 L C 0.429 177.425 176.870 0.209 0.000 1.036 157 L CA 0.241 55.293 54.840 0.354 0.000 0.806 157 L CB 1.383 43.610 42.059 0.280 0.000 1.220 157 L HN 1.862 10.092 8.230 -0.000 0.000 0.429 158 A N 5.783 128.556 122.820 -0.079 0.000 2.330 158 A HA 0.767 5.087 4.320 -0.001 0.000 0.313 158 A C -1.044 176.052 177.584 -0.813 0.000 1.124 158 A CA -0.435 51.163 52.037 -0.732 0.000 0.774 158 A CB 0.687 18.961 19.000 -1.210 0.000 1.198 158 A HN 0.632 8.782 8.150 -0.000 0.000 0.465 159 I N 2.811 122.914 120.570 -0.779 0.000 2.330 159 I HA 0.387 4.557 4.170 -0.001 0.000 0.289 159 I C -1.104 174.591 176.117 -0.704 0.000 1.001 159 I CA -0.028 60.903 61.300 -0.616 0.000 1.193 159 I CB 0.841 38.632 38.000 -0.347 0.000 1.345 159 I HN 0.454 8.664 8.210 -0.000 0.000 0.461 160 F N 6.754 126.490 119.950 -0.356 0.000 2.410 160 F HA 0.446 4.973 4.527 -0.000 0.000 0.349 160 F C -0.110 175.488 175.800 -0.337 0.000 1.117 160 F CA -1.025 56.694 58.000 -0.468 0.000 1.104 160 F CB 0.974 39.827 39.000 -0.247 0.000 1.122 160 F HN 0.158 8.458 8.300 -0.000 0.000 0.483 161 L N 3.829 124.898 121.223 -0.257 0.000 2.426 161 L HA 0.290 4.630 4.340 -0.001 0.000 0.255 161 L C -0.395 176.576 176.870 0.170 0.000 1.080 161 L CA -0.231 54.552 54.840 -0.095 0.000 0.960 161 L CB 0.120 41.879 42.059 -0.500 0.000 1.326 161 L HN 0.404 8.634 8.230 -0.000 0.000 0.441 162 D N 0.282 120.892 120.400 0.350 0.000 2.232 162 D HA 0.284 4.924 4.640 -0.001 0.000 0.242 162 D C 1.030 177.721 176.300 0.652 0.000 1.093 162 D CA -0.035 54.278 54.000 0.521 0.000 0.845 162 D CB 1.582 42.745 40.800 0.605 0.000 1.124 162 D HN 0.498 8.868 8.370 -0.000 0.000 0.467 163 T N 0.672 115.611 114.554 0.642 0.000 3.010 163 T HA 0.124 4.473 4.350 -0.001 0.000 0.257 163 T C 0.196 175.190 174.700 0.490 0.000 1.020 163 T CA -0.224 62.224 62.100 0.579 0.000 0.938 163 T CB -0.175 69.044 68.868 0.586 0.000 1.049 163 T HN 0.346 8.586 8.240 -0.000 0.000 0.522 164 Y N 3.007 123.423 120.300 0.194 0.000 2.346 164 Y HA 0.527 5.076 4.550 -0.001 0.000 0.332 164 Y C -3.057 172.489 175.900 -0.590 0.000 0.985 164 Y CA -3.029 54.960 58.100 -0.186 0.000 1.112 164 Y CB 2.278 40.680 38.460 -0.096 0.000 1.170 164 Y HN -0.120 8.160 8.280 -0.000 0.000 0.447 165 P HA 0.178 4.598 4.420 -0.000 0.000 0.273 165 P C -0.746 175.799 177.300 -1.258 0.000 1.428 165 P CA 0.289 62.351 63.100 -1.731 0.000 0.995 165 P CB 0.660 31.521 31.700 -1.398 0.000 1.286 166 N N 1.183 119.431 118.700 -0.753 0.000 2.331 166 N HA -0.112 4.628 4.740 -0.001 0.000 0.180 166 N C 0.571 175.940 175.510 -0.235 0.000 1.019 166 N CA 0.808 53.641 53.050 -0.363 0.000 0.881 166 N CB -0.253 38.131 38.487 -0.172 0.000 0.972 166 N HN 0.423 8.803 8.380 -0.000 0.000 0.435 167 D N 0.512 120.775 120.400 -0.230 0.000 2.344 167 D HA -0.022 4.618 4.640 -0.001 0.000 0.253 167 D C 0.964 177.175 176.300 -0.148 0.000 1.255 167 D CA -0.088 53.836 54.000 -0.128 0.000 0.894 167 D CB 0.796 41.555 40.800 -0.068 0.000 1.067 167 D HN 0.094 8.464 8.370 -0.000 0.000 0.492 168 E N 2.252 122.389 120.200 -0.105 0.000 2.038 168 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 168 E C 1.388 177.944 176.600 -0.074 0.000 1.000 168 E CA 2.120 58.463 56.400 -0.095 0.000 0.803 168 E CB -0.331 29.338 29.700 -0.052 0.000 0.750 168 E HN 0.470 8.830 8.360 -0.000 0.000 0.448 169 T N -1.740 112.787 114.554 -0.044 0.000 3.439 169 T HA 0.067 4.417 4.350 -0.001 0.000 0.251 169 T C 0.606 175.293 174.700 -0.023 0.000 1.108 169 T CA 0.349 62.434 62.100 -0.026 0.000 0.982 169 T CB -0.616 68.248 68.868 -0.007 0.000 1.024 169 T HN 0.055 8.295 8.240 -0.000 0.000 0.573 170 T N 2.443 116.973 114.554 -0.039 0.000 2.869 170 T HA 0.141 4.491 4.350 -0.001 0.000 0.295 170 T C 1.316 176.014 174.700 -0.004 0.000 0.987 170 T CA -0.549 61.539 62.100 -0.020 0.000 1.109 170 T CB 0.852 69.713 68.868 -0.011 0.000 0.932 170 T HN 0.505 8.745 8.240 -0.000 0.000 0.518 171 E N 4.717 124.916 120.200 -0.002 0.000 2.481 171 E HA -0.031 4.318 4.350 -0.001 0.000 0.195 171 E C 0.747 177.357 176.600 0.017 0.000 1.047 171 E CA 0.133 56.536 56.400 0.005 0.000 0.867 171 E CB 0.029 29.726 29.700 -0.005 0.000 0.858 171 E HN 0.559 8.919 8.360 -0.000 0.000 0.513 172 R N 0.881 121.394 120.500 0.021 0.000 2.442 172 R HA 0.245 4.585 4.340 -0.001 0.000 0.291 172 R C -0.785 175.611 176.300 0.161 0.000 1.069 172 R CA -0.252 55.848 56.100 -0.000 0.000 1.022 172 R CB 0.898 31.110 30.300 -0.146 0.000 0.976 172 R HN -0.100 8.170 8.270 -0.000 0.000 0.443 173 V N 6.369 126.349 119.914 0.111 0.000 2.383 173 V HA 0.299 4.419 4.120 -0.001 0.000 0.275 173 V C -0.294 175.905 176.094 0.175 0.000 1.036 173 V CA -0.232 62.178 62.300 0.183 0.000 0.889 173 V CB 0.709 32.598 31.823 0.109 0.000 0.985 173 V HN 0.568 8.758 8.190 -0.000 0.000 0.459 174 F N 5.039 125.027 119.950 0.062 0.000 2.450 174 F HA 0.628 5.155 4.527 -0.000 0.000 0.328 174 F C -1.714 174.094 175.800 0.013 0.000 1.068 174 F CA -2.521 55.527 58.000 0.080 0.000 1.007 174 F CB 0.608 39.642 39.000 0.057 0.000 1.251 174 F HN 0.321 8.621 8.300 -0.000 0.000 0.492 175 P HA 0.057 4.477 4.420 -0.000 0.000 0.269 175 P C -1.644 175.622 177.300 -0.055 0.000 1.215 175 P CA 0.117 63.228 63.100 0.018 0.000 0.780 175 P CB 0.312 31.639 31.700 -0.622 0.000 0.898 176 Y N 1.294 121.458 120.300 -0.226 0.000 2.425 176 Y HA 0.546 5.096 4.550 -0.000 0.000 0.344 176 Y C -0.598 175.296 175.900 -0.010 0.000 0.969 176 Y CA -0.765 57.154 58.100 -0.300 0.000 1.052 176 Y CB 1.234 39.209 38.460 -0.807 0.000 1.215 176 Y HN 0.188 8.468 8.280 -0.000 0.000 0.451 177 I N 5.392 125.777 120.570 -0.308 0.000 2.404 177 I HA 0.500 4.670 4.170 -0.001 0.000 0.293 177 I C -0.569 175.430 176.117 -0.197 0.000 0.992 177 I CA -0.428 60.791 61.300 -0.135 0.000 1.149 177 I CB 1.543 39.474 38.000 -0.115 0.000 1.315 177 I HN 0.679 8.889 8.210 -0.000 0.000 0.446 178 S N 5.363 121.071 115.700 0.014 0.000 2.661 178 S HA 0.824 5.294 4.470 -0.001 0.000 0.285 178 S C -0.733 173.833 174.600 -0.056 0.000 1.138 178 S CA -0.776 57.463 58.200 0.065 0.000 0.855 178 S CB 2.120 65.512 63.200 0.320 0.000 1.136 178 S HN 0.450 8.760 8.310 -0.000 0.000 0.484 179 V N -0.987 118.905 119.914 -0.037 0.000 2.604 179 V HA 0.792 4.912 4.120 -0.001 0.000 0.305 179 V C -0.584 175.500 176.094 -0.016 0.000 1.043 179 V CA -0.741 61.494 62.300 -0.108 0.000 0.888 179 V CB 1.290 33.076 31.823 -0.061 0.000 0.995 179 V HN 1.076 9.266 8.190 -0.000 0.000 0.429 180 M N 4.497 124.062 119.600 -0.059 0.000 2.326 180 M HA 0.761 5.240 4.480 -0.001 0.000 0.306 180 M C -1.825 174.607 176.300 0.219 0.000 1.054 180 M CA -0.559 54.836 55.300 0.159 0.000 0.922 180 M CB 2.163 34.984 32.600 0.368 0.000 1.632 180 M HN 0.671 8.961 8.290 -0.000 0.000 0.436 181 V N 4.283 124.320 119.914 0.205 0.000 2.555 181 V HA 0.627 4.747 4.120 -0.001 0.000 0.302 181 V C -0.654 175.520 176.094 0.132 0.000 1.038 181 V CA -0.707 61.718 62.300 0.209 0.000 0.887 181 V CB 2.015 33.925 31.823 0.144 0.000 0.991 181 V HN 0.871 9.061 8.190 -0.000 0.000 0.434 182 N N 2.834 121.583 118.700 0.081 0.000 2.287 182 N HA 0.326 5.066 4.740 -0.001 0.000 0.289 182 N C -0.455 174.965 175.510 -0.150 0.000 1.066 182 N CA -0.548 52.399 53.050 -0.172 0.000 0.841 182 N CB 1.988 40.031 38.487 -0.741 0.000 1.599 182 N HN 0.683 9.063 8.380 -0.000 0.000 0.476 183 N N 2.193 120.771 118.700 -0.204 0.000 2.321 183 N HA 0.239 4.979 4.740 -0.001 0.000 0.242 183 N C 0.895 176.040 175.510 -0.608 0.000 1.141 183 N CA 0.364 53.265 53.050 -0.249 0.000 0.864 183 N CB 0.073 38.513 38.487 -0.079 0.000 1.100 183 N HN 0.794 9.174 8.380 -0.000 0.000 0.510 184 G N 0.075 108.407 108.800 -0.780 0.000 2.268 184 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.240 184 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.240 184 G C 1.018 175.763 174.900 -0.258 0.000 1.010 184 G CA 0.558 45.267 45.100 -0.651 0.000 0.618 184 G HN 0.757 9.047 8.290 -0.000 0.000 0.516 185 S N -0.175 115.408 115.700 -0.196 0.000 2.528 185 S HA 0.544 5.014 4.470 -0.001 0.000 0.219 185 S C 0.918 175.476 174.600 -0.071 0.000 0.985 185 S CA 0.288 58.431 58.200 -0.095 0.000 0.914 185 S CB 0.153 63.319 63.200 -0.057 0.000 0.776 185 S HN 0.566 8.876 8.310 -0.000 0.000 0.526 186 L N 1.747 122.907 121.223 -0.106 0.000 2.317 186 L HA 0.576 4.916 4.340 -0.001 0.000 0.281 186 L C 0.060 176.925 176.870 -0.008 0.000 1.024 186 L CA -0.582 54.236 54.840 -0.037 0.000 0.810 186 L CB 1.827 43.875 42.059 -0.019 0.000 1.240 186 L HN 0.097 8.327 8.230 -0.000 0.000 0.427 187 S N 1.687 117.430 115.700 0.072 0.000 2.475 187 S HA 0.341 4.811 4.470 -0.001 0.000 0.298 187 S C -0.870 173.878 174.600 0.246 0.000 1.119 187 S CA -0.472 57.813 58.200 0.142 0.000 1.085 187 S CB 0.578 63.839 63.200 0.102 0.000 1.028 187 S HN 0.387 8.697 8.310 -0.000 0.000 0.489 188 Y N 4.179 124.614 120.300 0.226 0.000 2.480 188 Y HA 0.266 4.815 4.550 -0.001 0.000 0.341 188 Y C 0.201 176.211 175.900 0.183 0.000 1.031 188 Y CA -0.284 57.975 58.100 0.265 0.000 1.295 188 Y CB 0.496 39.179 38.460 0.373 0.000 1.162 188 Y HN 0.590 8.870 8.280 -0.000 0.000 0.523 189 D N 4.984 125.240 120.400 -0.241 0.000 2.422 189 D HA 0.017 4.657 4.640 -0.001 0.000 0.227 189 D C 0.865 176.890 176.300 -0.459 0.000 1.190 189 D CA 0.296 54.172 54.000 -0.206 0.000 0.905 189 D CB 0.202 40.953 40.800 -0.081 0.000 1.034 189 D HN 0.898 9.268 8.370 -0.000 0.000 0.507 190 H N 2.035 120.915 119.070 -0.317 0.000 2.352 190 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 190 H C 1.961 177.225 175.328 -0.106 0.000 1.097 190 H CA 2.415 58.362 56.048 -0.167 0.000 1.311 190 H CB 0.438 30.214 29.762 0.023 0.000 1.377 190 H HN 0.374 8.654 8.280 -0.000 0.000 0.504 191 S N -0.641 115.064 115.700 0.009 0.000 2.442 191 S HA -0.073 4.397 4.470 -0.001 0.000 0.236 191 S C 1.487 176.050 174.600 -0.061 0.000 1.007 191 S CA 0.863 59.058 58.200 -0.008 0.000 0.965 191 S CB 0.053 63.269 63.200 0.027 0.000 0.773 191 S HN 0.259 8.569 8.310 -0.000 0.000 0.504 192 K N 1.072 121.425 120.400 -0.078 0.000 2.399 192 K HA 0.178 4.498 4.320 -0.001 0.000 0.204 192 K C -0.374 176.189 176.600 -0.063 0.000 1.023 192 K CA 0.150 56.419 56.287 -0.028 0.000 1.127 192 K CB -0.137 32.418 32.500 0.092 0.000 0.856 192 K HN 0.330 8.580 8.250 -0.000 0.000 0.514 193 D N 0.732 121.050 120.400 -0.136 0.000 2.811 193 D HA -0.194 4.446 4.640 -0.001 0.000 0.231 193 D C 0.771 177.064 176.300 -0.012 0.000 1.157 193 D CA 1.298 55.281 54.000 -0.027 0.000 0.716 193 D CB -1.290 39.626 40.800 0.193 0.000 1.077 193 D HN 0.513 8.883 8.370 -0.000 0.000 0.428 194 G N 0.324 108.960 108.800 -0.272 0.000 2.155 194 G HA2 -0.469 3.490 3.960 -0.001 0.000 0.257 194 G HA3 -0.469 3.490 3.960 -0.001 0.000 0.257 194 G C 1.019 175.958 174.900 0.065 0.000 0.983 194 G CA 1.084 46.108 45.100 -0.126 0.000 0.676 194 G HN 0.574 8.864 8.290 -0.000 0.000 0.528 195 R N -0.795 119.694 120.500 -0.019 0.000 2.113 195 R HA -0.166 4.174 4.340 -0.001 0.000 0.244 195 R C 2.165 178.303 176.300 -0.270 0.000 1.142 195 R CA 2.452 58.441 56.100 -0.185 0.000 0.953 195 R CB -0.335 29.756 30.300 -0.350 0.000 0.860 195 R HN 0.609 8.879 8.270 -0.000 0.000 0.438 196 W N -0.413 120.900 121.300 0.020 0.000 2.595 196 W HA -0.031 4.628 4.660 -0.000 0.000 0.257 196 W C 1.887 178.445 176.519 0.064 0.000 1.267 196 W CA 1.295 58.658 57.345 0.030 0.000 1.300 196 W CB 0.156 29.620 29.460 0.008 0.000 1.120 196 W HN 0.244 8.424 8.180 -0.000 0.000 0.618 197 T N -2.751 111.947 114.554 0.240 0.000 3.044 197 T HA 0.084 4.433 4.350 -0.001 0.000 0.260 197 T C 0.448 175.289 174.700 0.235 0.000 1.019 197 T CA -0.422 61.823 62.100 0.241 0.000 0.921 197 T CB -0.316 68.721 68.868 0.281 0.000 1.053 197 T HN 0.182 8.422 8.240 -0.000 0.000 0.533 198 E N 1.093 121.411 120.200 0.197 0.000 2.349 198 E HA 0.357 4.706 4.350 -0.001 0.000 0.262 198 E C 0.234 176.900 176.600 0.109 0.000 1.088 198 E CA -0.772 55.741 56.400 0.187 0.000 0.899 198 E CB 1.181 31.002 29.700 0.202 0.000 1.044 198 E HN 0.263 8.623 8.360 -0.000 0.000 0.420 199 L N 0.680 121.960 121.223 0.095 0.000 2.357 199 L HA 0.382 4.721 4.340 -0.001 0.000 0.211 199 L C 0.779 177.675 176.870 0.042 0.000 1.075 199 L CA 0.618 55.494 54.840 0.060 0.000 0.830 199 L CB 0.195 42.289 42.059 0.058 0.000 0.996 199 L HN 0.749 8.979 8.230 -0.000 0.000 0.467 200 A N -0.984 121.867 122.820 0.052 0.000 2.566 200 A HA 0.745 5.065 4.320 -0.001 0.000 0.290 200 A C -0.939 176.676 177.584 0.052 0.000 1.071 200 A CA 0.097 52.158 52.037 0.039 0.000 0.658 200 A CB 0.813 19.819 19.000 0.009 0.000 1.285 200 A HN 0.061 8.211 8.150 -0.000 0.000 0.427 201 G N -1.797 107.013 108.800 0.017 0.000 2.506 201 G HA2 0.715 4.675 3.960 -0.001 0.000 0.292 201 G HA3 0.715 4.675 3.960 -0.001 0.000 0.292 201 G C -0.828 173.865 174.900 -0.344 0.000 1.425 201 G CA 0.334 45.351 45.100 -0.138 0.000 0.788 201 G HN 2.605 10.895 8.290 -0.000 0.000 0.490 202 c N -0.689 117.443 118.600 -0.779 0.000 2.985 202 c HA 0.877 5.447 4.570 -0.001 0.000 0.332 202 c C 0.391 173.978 174.090 -0.839 0.000 1.164 202 c CA 0.030 55.999 56.329 -0.601 0.000 1.347 202 c CB 0.947 43.306 42.510 -0.250 0.000 1.764 202 c HN 1.703 9.933 8.230 -0.000 0.000 0.489 203 T N 1.477 115.786 114.554 -0.408 0.000 2.916 203 T HA 0.567 4.916 4.350 -0.001 0.000 0.303 203 T C 0.059 174.695 174.700 -0.107 0.000 1.025 203 T CA 0.673 62.669 62.100 -0.173 0.000 1.142 203 T CB 0.524 69.416 68.868 0.040 0.000 0.947 203 T HN 2.451 10.691 8.240 -0.000 0.000 0.544 204 A N 3.159 125.942 122.820 -0.063 0.000 2.459 204 A HA 0.518 4.838 4.320 -0.001 0.000 0.296 204 A C -0.495 177.063 177.584 -0.043 0.000 1.039 204 A CA -0.837 51.222 52.037 0.037 0.000 0.698 204 A CB 1.757 20.870 19.000 0.189 0.000 1.261 204 A HN 0.802 8.952 8.150 -0.000 0.000 0.405 205 D N 2.464 122.872 120.400 0.013 0.000 2.631 205 D HA 0.297 4.937 4.640 -0.001 0.000 0.227 205 D C 0.417 176.739 176.300 0.037 0.000 1.146 205 D CA -0.329 53.647 54.000 -0.041 0.000 1.009 205 D CB -0.551 40.257 40.800 0.013 0.000 1.057 205 D HN 0.442 8.812 8.370 -0.000 0.000 0.509 206 F N 0.012 120.038 119.950 0.126 0.000 2.721 206 F HA 0.390 4.917 4.527 -0.001 0.000 0.301 206 F C 0.907 176.763 175.800 0.093 0.000 1.096 206 F CA -0.955 57.138 58.000 0.154 0.000 1.308 206 F CB 0.030 39.258 39.000 0.380 0.000 1.086 206 F HN -0.108 8.192 8.300 -0.000 0.000 0.587 207 R N 1.859 122.362 120.500 0.005 0.000 2.357 207 R HA 0.188 4.528 4.340 -0.001 0.000 0.296 207 R C -0.147 176.138 176.300 -0.026 0.000 1.052 207 R CA -0.148 55.991 56.100 0.065 0.000 0.988 207 R CB 0.198 30.422 30.300 -0.127 0.000 1.025 207 R HN 0.254 8.524 8.270 -0.000 0.000 0.469 208 N N 1.922 120.612 118.700 -0.017 0.000 2.740 208 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 208 N C -1.348 174.090 175.510 -0.120 0.000 1.062 208 N CA 0.804 53.815 53.050 -0.066 0.000 0.704 208 N CB -0.487 37.952 38.487 -0.080 0.000 0.968 208 N HN 0.536 8.916 8.380 -0.000 0.000 0.547 209 R N 0.093 120.485 120.500 -0.181 0.000 2.500 209 R HA 0.270 4.610 4.340 -0.001 0.000 0.277 209 R C 0.557 176.620 176.300 -0.396 0.000 1.026 209 R CA -0.423 55.472 56.100 -0.343 0.000 1.058 209 R CB 0.455 30.469 30.300 -0.477 0.000 1.078 209 R HN 0.040 8.310 8.270 -0.000 0.000 0.509 210 D N 1.491 121.617 120.400 -0.457 0.000 2.460 210 D HA 0.071 4.711 4.640 -0.001 0.000 0.229 210 D C 0.038 176.229 176.300 -0.182 0.000 1.170 210 D CA 0.401 54.250 54.000 -0.251 0.000 0.827 210 D CB 0.184 40.922 40.800 -0.103 0.000 0.973 210 D HN 0.475 8.845 8.370 -0.000 0.000 0.496 211 H N -2.482 116.536 119.070 -0.086 0.000 2.960 211 H HA 0.296 4.852 4.556 -0.001 0.000 0.323 211 H C -0.826 174.410 175.328 -0.152 0.000 1.326 211 H CA -0.828 55.165 56.048 -0.091 0.000 1.124 211 H CB 0.516 30.239 29.762 -0.064 0.000 1.853 211 H HN -0.300 7.980 8.280 -0.000 0.000 0.536 212 D N 2.069 122.463 120.400 -0.010 0.000 2.455 212 D HA 0.147 4.787 4.640 -0.001 0.000 0.241 212 D C 0.302 176.342 176.300 -0.433 0.000 1.138 212 D CA 0.597 54.414 54.000 -0.305 0.000 0.877 212 D CB 1.089 41.613 40.800 -0.460 0.000 1.187 212 D HN 0.573 8.943 8.370 -0.000 0.000 0.451 213 T N -0.398 113.727 114.554 -0.715 0.000 2.797 213 T HA 0.707 5.056 4.350 -0.001 0.000 0.279 213 T C -0.442 173.684 174.700 -0.957 0.000 0.991 213 T CA -0.797 60.885 62.100 -0.697 0.000 0.979 213 T CB 0.511 68.908 68.868 -0.784 0.000 0.943 213 T HN 0.146 8.386 8.240 -0.000 0.000 0.444 214 F N 1.341 121.228 119.950 -0.106 0.000 2.599 214 F HA 0.798 5.324 4.527 -0.001 0.000 0.311 214 F C -0.571 175.540 175.800 0.520 0.000 1.076 214 F CA -1.348 56.768 58.000 0.193 0.000 0.937 214 F CB 2.236 41.287 39.000 0.085 0.000 1.282 214 F HN 0.653 8.953 8.300 -0.000 0.000 0.460 215 L N 1.624 123.295 121.223 0.747 0.000 2.409 215 L HA 0.955 5.294 4.340 -0.001 0.000 0.262 215 L C -1.520 175.448 176.870 0.164 0.000 0.992 215 L CA -0.464 54.635 54.840 0.430 0.000 0.817 215 L CB 2.101 44.292 42.059 0.220 0.000 1.350 215 L HN 0.748 8.978 8.230 -0.000 0.000 0.411 216 A N 3.975 126.651 122.820 -0.241 0.000 2.335 216 A HA 0.752 5.071 4.320 -0.001 0.000 0.304 216 A C -1.504 175.967 177.584 -0.188 0.000 1.118 216 A CA -0.509 51.274 52.037 -0.424 0.000 0.757 216 A CB 1.515 19.728 19.000 -1.312 0.000 1.188 216 A HN 0.443 8.593 8.150 -0.000 0.000 0.460 217 V N 3.214 123.145 119.914 0.028 0.000 2.384 217 V HA 0.544 4.663 4.120 -0.001 0.000 0.287 217 V C 0.307 176.472 176.094 0.118 0.000 1.020 217 V CA -0.542 61.812 62.300 0.090 0.000 0.850 217 V CB 1.252 33.217 31.823 0.236 0.000 0.987 217 V HN 0.904 9.094 8.190 -0.000 0.000 0.436 218 R N 3.807 124.269 120.500 -0.063 0.000 2.494 218 R HA 0.535 4.875 4.340 -0.001 0.000 0.305 218 R C -2.097 174.010 176.300 -0.322 0.000 0.959 218 R CA -0.634 55.365 56.100 -0.168 0.000 0.864 218 R CB 1.646 31.855 30.300 -0.152 0.000 1.159 218 R HN 0.700 8.970 8.270 -0.000 0.000 0.446 219 Y N 2.285 122.085 120.300 -0.834 0.000 2.331 219 Y HA 0.403 4.952 4.550 -0.000 0.000 0.326 219 Y C -1.524 173.982 175.900 -0.658 0.000 1.020 219 Y CA -0.300 57.276 58.100 -0.874 0.000 1.136 219 Y CB 1.929 39.602 38.460 -1.310 0.000 1.157 219 Y HN 0.580 8.860 8.280 -0.000 0.000 0.444 220 S N 6.285 121.409 115.700 -0.960 0.000 2.584 220 S HA 0.465 4.935 4.470 -0.001 0.000 0.280 220 S C -1.052 173.212 174.600 -0.560 0.000 1.162 220 S CA -0.730 57.076 58.200 -0.657 0.000 0.951 220 S CB 0.633 63.610 63.200 -0.372 0.000 1.108 220 S HN 0.847 9.157 8.310 -0.000 0.000 0.464 221 R N 2.926 123.182 120.500 -0.407 0.000 3.264 221 R HA -0.202 4.138 4.340 -0.001 0.000 0.251 221 R C 1.146 177.338 176.300 -0.180 0.000 0.971 221 R CA 0.943 56.933 56.100 -0.183 0.000 0.658 221 R CB -1.993 28.190 30.300 -0.194 0.000 1.095 221 R HN 1.764 10.034 8.270 -0.000 0.000 0.443 222 G N -0.222 108.437 108.800 -0.234 0.000 2.220 222 G HA2 -0.421 3.539 3.960 -0.001 0.000 0.269 222 G HA3 -0.421 3.539 3.960 -0.001 0.000 0.269 222 G C 0.214 175.122 174.900 0.014 0.000 0.977 222 G CA 0.725 45.816 45.100 -0.015 0.000 0.634 222 G HN 0.510 8.800 8.290 -0.000 0.000 0.539 223 R N -0.179 120.233 120.500 -0.147 0.000 2.297 223 R HA 0.645 4.985 4.340 -0.001 0.000 0.308 223 R C -0.938 175.337 176.300 -0.042 0.000 1.029 223 R CA -0.786 55.271 56.100 -0.072 0.000 0.929 223 R CB 0.629 30.865 30.300 -0.107 0.000 1.046 223 R HN 0.263 8.533 8.270 -0.000 0.000 0.461 224 L N 3.335 124.588 121.223 0.050 0.000 2.343 224 L HA 0.433 4.772 4.340 -0.001 0.000 0.278 224 L C -1.301 175.561 176.870 -0.013 0.000 0.996 224 L CA 0.108 54.991 54.840 0.072 0.000 0.831 224 L CB 2.239 44.373 42.059 0.124 0.000 1.232 224 L HN 0.571 8.801 8.230 -0.000 0.000 0.413 225 T N 4.441 118.960 114.554 -0.059 0.000 2.812 225 T HA 0.670 5.020 4.350 -0.001 0.000 0.282 225 T C -0.972 173.670 174.700 -0.097 0.000 0.990 225 T CA -0.383 61.668 62.100 -0.082 0.000 0.960 225 T CB 1.596 70.399 68.868 -0.109 0.000 0.948 225 T HN 0.300 8.540 8.240 -0.000 0.000 0.438 226 V N 5.060 124.920 119.914 -0.092 0.000 2.495 226 V HA 0.618 4.738 4.120 -0.001 0.000 0.298 226 V C -0.295 175.734 176.094 -0.109 0.000 1.031 226 V CA -0.689 61.549 62.300 -0.103 0.000 0.871 226 V CB 1.673 33.447 31.823 -0.083 0.000 0.988 226 V HN 0.836 9.026 8.190 -0.000 0.000 0.432 227 M N 3.480 122.985 119.600 -0.158 0.000 2.572 227 M HA 0.596 5.076 4.480 -0.001 0.000 0.299 227 M C -0.373 175.984 176.300 0.096 0.000 1.205 227 M CA -0.493 54.762 55.300 -0.075 0.000 0.876 227 M CB 2.911 35.397 32.600 -0.190 0.000 1.728 227 M HN 0.765 9.055 8.290 -0.000 0.000 0.458 228 T N -2.386 112.344 114.554 0.292 0.000 2.912 228 T HA 0.588 4.938 4.350 -0.001 0.000 0.288 228 T C -1.283 173.725 174.700 0.513 0.000 1.030 228 T CA -0.706 61.653 62.100 0.432 0.000 1.020 228 T CB 1.982 71.027 68.868 0.296 0.000 1.056 228 T HN 0.612 8.852 8.240 -0.000 0.000 0.480 229 D N 1.869 122.518 120.400 0.415 0.000 2.440 229 D HA 0.400 5.040 4.640 -0.001 0.000 0.252 229 D C 0.189 176.597 176.300 0.180 0.000 1.180 229 D CA -0.724 53.322 54.000 0.076 0.000 0.894 229 D CB 0.491 41.029 40.800 -0.436 0.000 1.111 229 D HN 0.581 8.951 8.370 -0.000 0.000 0.544 230 L N 2.043 123.358 121.223 0.152 0.000 3.039 230 L HA 0.297 4.637 4.340 -0.001 0.000 0.269 230 L C 1.134 178.139 176.870 0.223 0.000 1.169 230 L CA -0.075 54.877 54.840 0.187 0.000 0.986 230 L CB 0.721 42.912 42.059 0.221 0.000 1.377 230 L HN 0.174 8.404 8.230 -0.000 0.000 0.575 231 E N 0.080 120.327 120.200 0.078 0.000 2.501 231 E HA -0.001 4.349 4.350 -0.001 0.000 0.201 231 E C -0.074 176.292 176.600 -0.391 0.000 1.016 231 E CA 0.152 56.532 56.400 -0.033 0.000 0.920 231 E CB 0.378 30.064 29.700 -0.023 0.000 1.023 231 E HN 0.204 8.564 8.360 -0.000 0.000 0.474 232 D N 0.946 121.089 120.400 -0.427 0.000 3.079 232 D HA -0.201 4.439 4.640 -0.001 0.000 0.214 232 D C 0.285 176.428 176.300 -0.262 0.000 1.145 232 D CA 1.082 54.814 54.000 -0.448 0.000 0.958 232 D CB -0.875 39.424 40.800 -0.836 0.000 1.117 232 D HN 0.148 8.518 8.370 -0.000 0.000 0.416 233 K N 0.139 120.415 120.400 -0.207 0.000 2.437 233 K HA 0.127 4.447 4.320 -0.001 0.000 0.198 233 K C 0.608 177.095 176.600 -0.188 0.000 1.024 233 K CA 0.372 56.560 56.287 -0.165 0.000 1.148 233 K CB -0.114 32.310 32.500 -0.127 0.000 0.860 233 K HN 0.294 8.544 8.250 -0.000 0.000 0.515 234 N N 2.709 121.268 118.700 -0.234 0.000 2.707 234 N HA -0.242 4.498 4.740 -0.001 0.000 0.253 234 N C -1.204 174.080 175.510 -0.376 0.000 0.998 234 N CA 1.018 53.873 53.050 -0.325 0.000 0.751 234 N CB -0.579 37.760 38.487 -0.248 0.000 0.920 234 N HN 0.575 8.955 8.380 -0.000 0.000 0.539 235 E N -1.159 118.800 120.200 -0.403 0.000 2.413 235 E HA 0.386 4.736 4.350 -0.001 0.000 0.277 235 E C -1.107 175.263 176.600 -0.382 0.000 0.958 235 E CA -1.070 55.110 56.400 -0.366 0.000 0.779 235 E CB 0.624 30.226 29.700 -0.163 0.000 1.278 235 E HN 0.249 8.609 8.360 -0.000 0.000 0.456 236 W N 1.413 122.672 121.300 -0.068 0.000 2.376 236 W HA 0.420 5.080 4.660 -0.001 0.000 0.322 236 W C 0.135 176.634 176.519 -0.033 0.000 1.160 236 W CA -0.505 56.806 57.345 -0.057 0.000 1.218 236 W CB 1.572 30.986 29.460 -0.077 0.000 1.205 236 W HN 0.496 8.676 8.180 -0.000 0.000 0.559 237 K N 2.275 122.850 120.400 0.292 0.000 2.318 237 K HA 0.329 4.649 4.320 -0.001 0.000 0.249 237 K C -0.588 176.084 176.600 0.119 0.000 0.942 237 K CA -0.553 55.828 56.287 0.155 0.000 0.808 237 K CB 0.895 33.465 32.500 0.117 0.000 1.189 237 K HN 0.511 8.761 8.250 -0.000 0.000 0.428 238 N N 2.020 120.758 118.700 0.064 0.000 2.441 238 N HA 0.024 4.764 4.740 -0.001 0.000 0.251 238 N C -0.328 175.190 175.510 0.013 0.000 1.242 238 N CA -0.019 53.046 53.050 0.025 0.000 0.898 238 N CB 0.722 39.216 38.487 0.011 0.000 1.100 238 N HN 0.661 9.041 8.380 -0.000 0.000 0.443 239 c N 2.068 120.659 118.600 -0.015 0.000 3.193 239 c HA 0.422 4.992 4.570 -0.001 0.000 0.411 239 c C -0.856 173.197 174.090 -0.061 0.000 1.682 239 c CA -0.106 56.197 56.329 -0.043 0.000 2.131 239 c CB -0.191 42.294 42.510 -0.041 0.000 2.471 239 c HN 0.665 8.895 8.230 -0.000 0.000 0.546 240 I N 2.158 122.693 120.570 -0.058 0.000 2.533 240 I HA 0.473 4.643 4.170 -0.001 0.000 0.290 240 I C -1.819 174.271 176.117 -0.044 0.000 1.056 240 I CA 0.063 61.332 61.300 -0.052 0.000 1.057 240 I CB 1.807 39.772 38.000 -0.058 0.000 1.240 240 I HN 0.284 8.494 8.210 -0.000 0.000 0.423 241 D N 7.596 127.977 120.400 -0.031 0.000 2.375 241 D HA 0.482 5.122 4.640 -0.001 0.000 0.241 241 D C -1.197 175.094 176.300 -0.014 0.000 1.361 241 D CA -0.185 53.798 54.000 -0.028 0.000 0.995 241 D CB 1.085 41.866 40.800 -0.032 0.000 1.312 241 D HN 0.466 8.836 8.370 -0.000 0.000 0.576 242 I N -0.154 120.415 120.570 -0.001 0.000 2.892 242 I HA 0.799 4.969 4.170 -0.001 0.000 0.306 242 I C -0.235 175.903 176.117 0.035 0.000 1.078 242 I CA -0.794 60.514 61.300 0.014 0.000 1.032 242 I CB 2.323 40.336 38.000 0.021 0.000 1.229 242 I HN 0.216 8.426 8.210 -0.000 0.000 0.435 243 T N -0.973 113.607 114.554 0.044 0.000 2.910 243 T HA 0.720 5.070 4.350 -0.001 0.000 0.287 243 T C 0.712 175.487 174.700 0.125 0.000 1.050 243 T CA -0.204 61.950 62.100 0.089 0.000 1.011 243 T CB 1.292 70.218 68.868 0.096 0.000 1.195 243 T HN 1.870 10.110 8.240 -0.000 0.000 0.540 244 G N -0.451 108.502 108.800 0.255 0.000 2.157 244 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.248 244 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.248 244 G C -0.022 175.035 174.900 0.263 0.000 0.979 244 G CA -0.045 45.271 45.100 0.360 0.000 0.650 244 G HN 1.077 9.367 8.290 -0.000 0.000 0.529 245 V N 0.930 120.987 119.914 0.238 0.000 2.432 245 V HA 0.580 4.699 4.120 -0.001 0.000 0.275 245 V C 0.805 177.074 176.094 0.292 0.000 1.043 245 V CA -0.274 62.167 62.300 0.235 0.000 0.925 245 V CB 1.412 33.379 31.823 0.239 0.000 0.985 245 V HN 0.352 8.542 8.190 -0.000 0.000 0.466 246 R N 4.923 125.543 120.500 0.201 0.000 2.393 246 R HA 0.732 5.071 4.340 -0.001 0.000 0.315 246 R C -1.428 174.951 176.300 0.131 0.000 0.952 246 R CA -0.485 55.720 56.100 0.176 0.000 0.842 246 R CB 1.405 31.750 30.300 0.074 0.000 1.163 246 R HN 0.606 8.876 8.270 -0.000 0.000 0.450 247 L N 4.961 126.284 121.223 0.167 0.000 2.401 247 L HA 0.612 4.952 4.340 -0.001 0.000 0.266 247 L C -2.168 174.780 176.870 0.129 0.000 0.991 247 L CA -2.158 52.738 54.840 0.092 0.000 0.818 247 L CB 2.483 44.530 42.059 -0.020 0.000 1.321 247 L HN 0.446 8.676 8.230 -0.000 0.000 0.413 248 P HA 0.211 4.631 4.420 -0.000 0.000 0.276 248 P C -0.646 176.642 177.300 -0.020 0.000 1.261 248 P CA -0.392 62.653 63.100 -0.091 0.000 0.800 248 P CB 0.842 32.324 31.700 -0.363 0.000 1.066 249 T N -4.439 110.196 114.554 0.136 0.000 2.874 249 T HA 0.499 4.849 4.350 -0.001 0.000 0.281 249 T C 1.025 175.606 174.700 -0.199 0.000 0.994 249 T CA 0.194 62.349 62.100 0.092 0.000 1.015 249 T CB 0.196 69.218 68.868 0.257 0.000 1.028 249 T HN 0.819 9.059 8.240 -0.000 0.000 0.523 250 G N -0.183 108.263 108.800 -0.590 0.000 2.132 250 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.234 250 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.234 250 G C -0.274 174.276 174.900 -0.584 0.000 0.989 250 G CA -0.115 44.442 45.100 -0.905 0.000 0.676 250 G HN 0.713 9.003 8.290 -0.000 0.000 0.522 251 Y N -0.658 119.130 120.300 -0.853 0.000 2.519 251 Y HA 0.734 5.284 4.550 -0.001 0.000 0.324 251 Y C 0.466 175.704 175.900 -1.103 0.000 1.214 251 Y CA -2.341 55.149 58.100 -1.015 0.000 1.260 251 Y CB 0.844 38.453 38.460 -1.418 0.000 1.311 251 Y HN 0.129 8.409 8.280 -0.000 0.000 0.505 252 Y N 0.328 120.342 120.300 -0.476 0.000 2.360 252 Y HA 0.401 4.951 4.550 -0.001 0.000 0.337 252 Y C -0.737 175.091 175.900 -0.120 0.000 1.039 252 Y CA -0.862 57.100 58.100 -0.230 0.000 1.109 252 Y CB 0.809 39.249 38.460 -0.034 0.000 1.201 252 Y HN 0.244 8.524 8.280 -0.000 0.000 0.458 253 F N 1.461 121.549 119.950 0.230 0.000 2.399 253 F HA 0.640 5.166 4.527 -0.001 0.000 0.342 253 F C 0.812 176.704 175.800 0.154 0.000 1.106 253 F CA -0.206 57.904 58.000 0.183 0.000 1.196 253 F CB 1.137 40.189 39.000 0.086 0.000 1.163 253 F HN 0.557 8.857 8.300 -0.000 0.000 0.547 254 G N 0.263 109.136 108.800 0.121 0.000 2.576 254 G HA2 0.722 4.681 3.960 -0.001 0.000 0.290 254 G HA3 0.722 4.681 3.960 -0.001 0.000 0.290 254 G C -2.313 172.424 174.900 -0.273 0.000 1.442 254 G CA -0.526 44.297 45.100 -0.460 0.000 0.792 254 G HN 0.857 9.147 8.290 -0.000 0.000 0.491 255 A N -0.314 122.323 122.820 -0.304 0.000 2.486 255 A HA 0.979 5.299 4.320 -0.001 0.000 0.300 255 A C -0.166 177.384 177.584 -0.056 0.000 1.048 255 A CA 0.174 52.136 52.037 -0.125 0.000 0.696 255 A CB 1.737 20.666 19.000 -0.117 0.000 1.278 255 A HN 2.279 10.429 8.150 -0.000 0.000 0.405 256 S N 0.023 115.767 115.700 0.074 0.000 2.607 256 S HA 0.972 5.441 4.470 -0.001 0.000 0.273 256 S C -0.481 174.178 174.600 0.099 0.000 1.148 256 S CA -0.106 58.192 58.200 0.163 0.000 0.833 256 S CB 1.631 65.064 63.200 0.387 0.000 1.130 256 S HN 2.495 10.805 8.310 -0.000 0.000 0.470 257 A N -0.158 122.718 122.820 0.092 0.000 2.593 257 A HA 1.018 5.338 4.320 -0.001 0.000 0.290 257 A C -0.215 177.385 177.584 0.027 0.000 1.126 257 A CA -0.516 51.505 52.037 -0.025 0.000 0.695 257 A CB 1.222 20.106 19.000 -0.194 0.000 1.290 257 A HN 2.020 10.170 8.150 -0.000 0.000 0.414 258 G N -0.358 108.417 108.800 -0.042 0.000 2.746 258 G HA2 0.700 4.660 3.960 -0.001 0.000 0.297 258 G HA3 0.700 4.660 3.960 -0.001 0.000 0.297 258 G C -0.779 174.157 174.900 0.059 0.000 1.426 258 G CA 0.242 45.361 45.100 0.032 0.000 0.989 258 G HN 1.516 9.806 8.290 -0.000 0.000 0.520 259 T N -0.995 113.606 114.554 0.079 0.000 2.893 259 T HA 0.818 5.168 4.350 -0.001 0.000 0.291 259 T C 0.623 175.340 174.700 0.029 0.000 1.028 259 T CA 0.146 62.304 62.100 0.097 0.000 0.995 259 T CB 2.193 71.133 68.868 0.120 0.000 1.051 259 T HN 1.089 9.329 8.240 -0.000 0.000 0.470 260 G N 0.935 109.736 108.800 0.003 0.000 3.306 260 G HA2 0.331 4.290 3.960 -0.001 0.000 0.202 260 G HA3 0.331 4.290 3.960 -0.001 0.000 0.202 260 G C 0.259 175.135 174.900 -0.040 0.000 1.673 260 G CA -0.261 44.819 45.100 -0.033 0.000 0.776 260 G HN 0.632 8.922 8.290 -0.000 0.000 0.740 261 D N 0.223 120.583 120.400 -0.067 0.000 2.224 261 D HA 0.070 4.710 4.640 -0.001 0.000 0.205 261 D C 1.069 177.314 176.300 -0.093 0.000 0.965 261 D CA 0.524 54.480 54.000 -0.073 0.000 0.852 261 D CB 0.174 40.924 40.800 -0.083 0.000 0.947 261 D HN 0.048 8.418 8.370 -0.000 0.000 0.494 262 L N 0.119 121.258 121.223 -0.140 0.000 2.352 262 L HA 0.398 4.737 4.340 -0.001 0.000 0.269 262 L C 0.594 177.449 176.870 -0.025 0.000 1.034 262 L CA -0.553 54.210 54.840 -0.130 0.000 0.806 262 L CB 1.786 43.669 42.059 -0.293 0.000 1.244 262 L HN -0.094 8.136 8.230 -0.000 0.000 0.447 263 S N -0.582 115.133 115.700 0.024 0.000 2.720 263 S HA 0.804 5.273 4.470 -0.001 0.000 0.287 263 S C -1.526 173.118 174.600 0.074 0.000 1.168 263 S CA -0.758 57.487 58.200 0.075 0.000 0.832 263 S CB 2.995 66.217 63.200 0.037 0.000 1.166 263 S HN 0.634 8.944 8.310 -0.000 0.000 0.493 264 D N -0.402 120.002 120.400 0.006 0.000 2.783 264 D HA 0.305 4.945 4.640 -0.001 0.000 0.253 264 D C -1.778 174.312 176.300 -0.350 0.000 1.206 264 D CA -0.484 53.388 54.000 -0.214 0.000 0.740 264 D CB 1.395 41.990 40.800 -0.342 0.000 1.313 264 D HN 0.582 8.952 8.370 -0.000 0.000 0.427 265 N N 0.883 119.290 118.700 -0.488 0.000 2.475 265 N HA 0.153 4.892 4.740 -0.001 0.000 0.267 265 N C -0.732 174.453 175.510 -0.542 0.000 1.169 265 N CA 0.332 53.075 53.050 -0.512 0.000 0.947 265 N CB 0.352 38.316 38.487 -0.870 0.000 1.061 265 N HN 0.245 8.625 8.380 -0.000 0.000 0.466 266 H N 0.535 119.561 119.070 -0.074 0.000 2.587 266 H HA 0.352 4.908 4.556 -0.001 0.000 0.325 266 H C -0.906 174.408 175.328 -0.023 0.000 1.012 266 H CA -0.587 55.460 56.048 -0.002 0.000 1.213 266 H CB 1.058 30.842 29.762 0.038 0.000 1.431 266 H HN 0.322 8.602 8.280 -0.000 0.000 0.492 267 D N 2.766 123.211 120.400 0.075 0.000 2.498 267 D HA 0.298 4.938 4.640 -0.001 0.000 0.247 267 D C -0.225 176.079 176.300 0.007 0.000 1.070 267 D CA -0.541 53.452 54.000 -0.011 0.000 0.842 267 D CB 2.021 42.740 40.800 -0.135 0.000 1.361 267 D HN 0.321 8.691 8.370 -0.000 0.000 0.484 268 I N 3.110 123.654 120.570 -0.044 0.000 2.339 268 I HA 0.237 4.407 4.170 -0.001 0.000 0.290 268 I C 1.002 177.049 176.117 -0.116 0.000 0.994 268 I CA -0.372 60.882 61.300 -0.076 0.000 1.191 268 I CB 1.463 39.377 38.000 -0.144 0.000 1.343 268 I HN 0.345 8.555 8.210 -0.000 0.000 0.458 269 I N 3.848 124.342 120.570 -0.126 0.000 2.810 269 I HA -0.011 4.159 4.170 -0.001 0.000 0.262 269 I C 0.837 176.994 176.117 0.067 0.000 1.131 269 I CA 0.840 62.082 61.300 -0.096 0.000 1.453 269 I CB 0.175 37.861 38.000 -0.523 0.000 1.161 269 I HN 0.702 8.912 8.210 -0.000 0.000 0.444 270 S N -0.094 115.652 115.700 0.077 0.000 2.537 270 S HA 0.709 5.179 4.470 -0.001 0.000 0.270 270 S C -0.837 173.829 174.600 0.110 0.000 1.142 270 S CA -0.851 57.428 58.200 0.131 0.000 0.870 270 S CB 1.672 65.005 63.200 0.221 0.000 1.112 270 S HN -0.019 8.291 8.310 -0.000 0.000 0.466 271 M N 2.109 121.713 119.600 0.007 0.000 2.190 271 M HA 0.480 4.959 4.480 -0.001 0.000 0.312 271 M C -1.018 175.305 176.300 0.039 0.000 0.990 271 M CA -0.371 54.945 55.300 0.027 0.000 0.927 271 M CB 2.264 34.819 32.600 -0.075 0.000 1.571 271 M HN 0.621 8.911 8.290 -0.000 0.000 0.427 272 K N 3.534 123.971 120.400 0.063 0.000 2.483 272 K HA 0.475 4.795 4.320 -0.001 0.000 0.256 272 K C -1.405 175.061 176.600 -0.223 0.000 0.961 272 K CA -0.634 55.602 56.287 -0.086 0.000 0.873 272 K CB 2.146 34.624 32.500 -0.036 0.000 1.107 272 K HN 0.556 8.806 8.250 -0.000 0.000 0.432 273 L N 5.195 126.248 121.223 -0.284 0.000 2.265 273 L HA 0.430 4.769 4.340 -0.001 0.000 0.288 273 L C -1.283 175.389 176.870 -0.330 0.000 1.058 273 L CA -0.155 54.533 54.840 -0.254 0.000 0.809 273 L CB 0.039 41.965 42.059 -0.222 0.000 1.179 273 L HN 0.538 8.768 8.230 -0.000 0.000 0.429 274 F N 3.385 123.339 119.950 0.007 0.000 2.427 274 F HA 0.334 4.861 4.527 -0.001 0.000 0.346 274 F C 0.676 176.539 175.800 0.105 0.000 1.120 274 F CA -0.461 57.564 58.000 0.042 0.000 1.033 274 F CB 1.384 40.364 39.000 -0.033 0.000 1.126 274 F HN 0.468 8.768 8.300 -0.000 0.000 0.462 275 Q N 4.055 124.015 119.800 0.267 0.000 2.313 275 Q HA 0.377 4.716 4.340 -0.001 0.000 0.266 275 Q C -1.208 174.826 176.000 0.056 0.000 0.989 275 Q CA -0.233 55.675 55.803 0.174 0.000 0.890 275 Q CB 0.732 29.543 28.738 0.120 0.000 1.200 275 Q HN 0.674 8.944 8.270 -0.000 0.000 0.396 276 L N 3.411 124.650 121.223 0.027 0.000 2.344 276 L HA 0.436 4.776 4.340 -0.001 0.000 0.272 276 L C -0.371 176.427 176.870 -0.120 0.000 1.035 276 L CA -0.870 53.925 54.840 -0.075 0.000 0.807 276 L CB 1.235 43.263 42.059 -0.052 0.000 1.237 276 L HN 0.642 8.872 8.230 -0.000 0.000 0.442 277 M N 2.855 122.354 119.600 -0.168 0.000 2.047 277 M HA 0.439 4.919 4.480 -0.001 0.000 0.342 277 M C -1.128 175.119 176.300 -0.088 0.000 1.058 277 M CA -0.177 55.048 55.300 -0.124 0.000 0.991 277 M CB 1.130 33.645 32.600 -0.143 0.000 1.474 277 M HN 0.179 8.469 8.290 -0.000 0.000 0.419 278 V N 3.318 123.188 119.914 -0.074 0.000 2.638 278 V HA 0.373 4.493 4.120 -0.001 0.000 0.306 278 V C -0.237 175.784 176.094 -0.122 0.000 1.052 278 V CA -1.017 61.205 62.300 -0.130 0.000 0.885 278 V CB 2.208 33.909 31.823 -0.203 0.000 0.999 278 V HN 0.651 8.841 8.190 -0.000 0.000 0.424 279 E N 3.760 123.878 120.200 -0.137 0.000 2.344 279 E HA 0.231 4.581 4.350 -0.001 0.000 0.270 279 E C -0.734 175.745 176.600 -0.203 0.000 1.021 279 E CA -0.214 56.132 56.400 -0.091 0.000 0.887 279 E CB 0.480 30.142 29.700 -0.064 0.000 0.997 279 E HN 0.616 8.976 8.360 -0.000 0.000 0.429 280 H N 1.231 120.278 119.070 -0.039 0.000 2.533 280 H HA 0.145 4.701 4.556 -0.001 0.000 0.343 280 H C 0.067 175.396 175.328 0.002 0.000 1.160 280 H CA -0.587 55.451 56.048 -0.017 0.000 1.218 280 H CB 1.645 31.394 29.762 -0.023 0.000 1.566 280 H HN 0.553 8.833 8.280 -0.000 0.000 0.522 281 T N 0.973 115.600 114.554 0.122 0.000 2.930 281 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 281 T C -2.452 172.308 174.700 0.101 0.000 1.045 281 T CA -1.474 60.675 62.100 0.081 0.000 1.134 281 T CB 0.449 69.350 68.868 0.055 0.000 0.961 281 T HN 0.312 8.552 8.240 -0.000 0.000 0.545 282 P HA 0.104 4.524 4.420 -0.000 0.000 0.266 282 P C 0.576 177.914 177.300 0.064 0.000 1.195 282 P CA 0.847 63.981 63.100 0.057 0.000 0.768 282 P CB 0.289 32.010 31.700 0.036 0.000 0.838 283 D N 0.811 121.254 120.400 0.071 0.000 2.748 283 D HA -0.222 4.418 4.640 -0.001 0.000 0.189 283 D C 0.575 176.938 176.300 0.105 0.000 0.982 283 D CA 1.517 55.558 54.000 0.069 0.000 1.017 283 D CB -2.179 38.644 40.800 0.038 0.000 1.076 283 D HN 0.492 8.862 8.370 -0.000 0.000 0.446 284 E N 0.443 120.737 120.200 0.158 0.000 2.274 284 E HA -0.034 4.316 4.350 -0.001 0.000 0.194 284 E C 1.266 178.074 176.600 0.346 0.000 0.996 284 E CA 1.154 57.730 56.400 0.294 0.000 0.840 284 E CB 0.024 29.954 29.700 0.383 0.000 0.772 284 E HN 0.559 8.919 8.360 -0.000 0.000 0.491 285 E N -0.130 120.179 120.200 0.180 0.000 2.465 285 E HA 0.022 4.372 4.350 -0.001 0.000 0.191 285 E C 0.703 177.373 176.600 0.117 0.000 1.053 285 E CA -0.100 56.369 56.400 0.115 0.000 0.869 285 E CB 0.146 29.875 29.700 0.047 0.000 0.977 285 E HN 0.153 8.513 8.360 -0.000 0.000 0.483 286 N N 1.034 119.811 118.700 0.128 0.000 2.235 286 N HA 0.057 4.797 4.740 -0.001 0.000 0.231 286 N C -0.376 175.185 175.510 0.085 0.000 1.177 286 N CA -0.084 53.018 53.050 0.086 0.000 0.874 286 N CB 0.592 39.109 38.487 0.051 0.000 1.097 286 N HN -0.044 8.336 8.380 -0.000 0.000 0.518 287 I N 0.853 121.508 120.570 0.140 0.000 2.498 287 I HA 0.207 4.377 4.170 -0.001 0.000 0.301 287 I C 0.197 176.405 176.117 0.152 0.000 0.984 287 I CA -0.662 60.669 61.300 0.050 0.000 1.204 287 I CB 1.211 39.102 38.000 -0.183 0.000 1.362 287 I HN -0.043 8.167 8.210 -0.000 0.000 0.471 288 D N 4.240 124.681 120.400 0.068 0.000 2.402 288 D HA 0.052 4.692 4.640 -0.001 0.000 0.235 288 D C 0.560 176.932 176.300 0.120 0.000 1.226 288 D CA -0.137 53.935 54.000 0.121 0.000 0.918 288 D CB 0.292 41.132 40.800 0.068 0.000 1.043 288 D HN 0.332 8.702 8.370 -0.000 0.000 0.506 289 W N 1.671 122.982 121.300 0.018 0.000 2.525 289 W HA -0.076 4.584 4.660 -0.001 0.000 0.259 289 W C 2.458 178.991 176.519 0.023 0.000 1.253 289 W CA 1.150 58.510 57.345 0.025 0.000 1.262 289 W CB -0.357 29.125 29.460 0.036 0.000 1.122 289 W HN 0.473 8.653 8.180 -0.000 0.000 0.607 290 T N -3.032 111.666 114.554 0.241 0.000 3.088 290 T HA 0.009 4.359 4.350 -0.001 0.000 0.259 290 T C 1.499 176.238 174.700 0.065 0.000 1.122 290 T CA 0.650 62.845 62.100 0.158 0.000 1.095 290 T CB 0.013 69.016 68.868 0.225 0.000 0.930 290 T HN -0.195 8.045 8.240 -0.000 0.000 0.508 291 K N 0.625 121.054 120.400 0.048 0.000 2.358 291 K HA 0.424 4.744 4.320 -0.001 0.000 0.200 291 K C 0.483 177.075 176.600 -0.013 0.000 1.030 291 K CA -0.352 55.948 56.287 0.021 0.000 1.097 291 K CB 0.204 32.718 32.500 0.023 0.000 0.862 291 K HN 0.484 8.734 8.250 -0.000 0.000 0.534 292 I N 2.420 122.960 120.570 -0.051 0.000 2.752 292 I HA -0.112 4.058 4.170 -0.001 0.000 0.289 292 I C 0.645 176.742 176.117 -0.033 0.000 1.197 292 I CA 0.166 61.414 61.300 -0.086 0.000 1.432 292 I CB 0.271 38.176 38.000 -0.158 0.000 1.359 292 I HN -0.061 8.149 8.210 -0.000 0.000 0.571 293 E N 8.721 128.920 120.200 -0.002 0.000 2.259 293 E HA 0.303 4.652 4.350 -0.001 0.000 0.281 293 E C -2.333 174.303 176.600 0.060 0.000 1.027 293 E CA -1.922 54.511 56.400 0.055 0.000 0.838 293 E CB 0.747 30.484 29.700 0.061 0.000 1.066 293 E HN 0.166 8.526 8.360 -0.000 0.000 0.401 294 P HA 0.072 4.492 4.420 -0.000 0.000 0.264 294 P C -1.025 176.325 177.300 0.085 0.000 1.193 294 P CA 0.043 63.215 63.100 0.119 0.000 0.763 294 P CB 0.996 32.817 31.700 0.203 0.000 0.810 295 S N 1.807 117.558 115.700 0.084 0.000 2.625 295 S HA 0.709 5.179 4.470 -0.001 0.000 0.271 295 S C -1.035 173.622 174.600 0.095 0.000 1.161 295 S CA -0.603 57.642 58.200 0.076 0.000 0.820 295 S CB 0.984 64.222 63.200 0.063 0.000 1.137 295 S HN 0.253 8.563 8.310 -0.000 0.000 0.470 296 V N 0.956 120.923 119.914 0.088 0.000 3.074 296 V HA 0.707 4.827 4.120 -0.001 0.000 0.314 296 V C -0.181 175.963 176.094 0.085 0.000 1.117 296 V CA -0.811 61.544 62.300 0.091 0.000 1.014 296 V CB 1.450 33.316 31.823 0.072 0.000 1.057 296 V HN 1.015 9.205 8.190 -0.000 0.000 0.438 297 N N 1.010 119.744 118.700 0.058 0.000 2.708 297 N HA -0.193 4.547 4.740 -0.001 0.000 0.249 297 N C -0.455 175.098 175.510 0.071 0.000 1.097 297 N CA 1.714 54.745 53.050 -0.032 0.000 0.710 297 N CB -1.175 37.273 38.487 -0.065 0.000 1.032 297 N HN 0.984 9.364 8.380 -0.000 0.000 0.551 298 F N 0.000 119.965 119.950 0.026 0.000 2.286 298 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 298 F CA 0.000 58.010 58.000 0.016 0.000 1.383 298 F CB 0.000 39.005 39.000 0.008 0.000 1.145 298 F HN 0.000 8.300 8.300 -0.000 0.000 0.574