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 2vg2_1_B DATA FIRST_RESID 13 DATA SEQUENCE FPQLPPAPDD YPTFPDTSTW PVVFPELPAA PYGGPCRPPQ HTSKAAAPRI DATA SEQUENCE PADRLPNHVA IVMDGNGRWA TQRGLARTEG HKMGEAVVID IACGAIELGI DATA SEQUENCE KWLSLYAFST ENWKRSPEEV RFLMGFNRDV VRRRRDTLKK LGVRIRWVGS DATA SEQUENCE RPRLWRSVIN ELAVAEEMTK SNDVITINYC VNYGGRTEIT EATREIAREV DATA SEQUENCE AAGRLNPERI TESTIARHLQ RPDIPDVDLF LRTSGEQRSS NFMLWQAAYA DATA SEQUENCE EYIFQDKLWP DYDRRDLWAA CEEYASRTRR FGS 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 13 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 13 F C 0.000 175.778 175.800 -0.037 0.000 0.967 13 F CA 0.000 57.984 58.000 -0.026 0.000 1.383 13 F CB 0.000 38.984 39.000 -0.026 0.000 1.145 14 P HA 0.165 4.585 4.420 -0.000 0.000 0.267 14 P C -0.312 176.965 177.300 -0.038 0.000 1.289 14 P CA 0.258 63.320 63.100 -0.062 0.000 0.866 14 P CB 0.464 32.089 31.700 -0.125 0.000 1.309 15 Q N 0.294 120.081 119.800 -0.021 0.000 2.354 15 Q HA 0.304 4.646 4.340 0.003 0.000 0.244 15 Q C 0.221 176.201 176.000 -0.034 0.000 0.969 15 Q CA -0.143 55.631 55.803 -0.049 0.000 0.885 15 Q CB 0.483 29.172 28.738 -0.083 0.000 1.241 15 Q HN 0.147 8.417 8.270 -0.000 0.000 0.461 16 L N 3.986 125.178 121.223 -0.053 0.000 2.453 16 L HA 0.216 4.558 4.340 0.003 0.000 0.272 16 L C -1.853 174.976 176.870 -0.068 0.000 1.182 16 L CA -1.777 53.029 54.840 -0.056 0.000 0.858 16 L CB 0.116 42.142 42.059 -0.056 0.000 1.120 16 L HN 0.449 8.679 8.230 -0.000 0.000 0.474 17 P HA 0.090 4.510 4.420 -0.000 0.000 0.270 17 P C -2.440 174.819 177.300 -0.069 0.000 1.227 17 P CA -0.934 62.128 63.100 -0.063 0.000 0.788 17 P CB -0.389 31.276 31.700 -0.058 0.000 0.926 18 P HA 0.042 4.462 4.420 -0.000 0.000 0.262 18 P C -0.385 176.887 177.300 -0.047 0.000 1.182 18 P CA 0.529 63.608 63.100 -0.035 0.000 0.761 18 P CB 0.012 31.701 31.700 -0.019 0.000 0.795 19 A N 6.054 128.847 122.820 -0.044 0.000 2.406 19 A HA 0.396 4.718 4.320 0.003 0.000 0.243 19 A C -1.928 175.648 177.584 -0.013 0.000 1.082 19 A CA -1.003 50.978 52.037 -0.093 0.000 0.786 19 A CB -1.223 17.719 19.000 -0.097 0.000 1.029 19 A HN 0.416 8.566 8.150 -0.000 0.000 0.495 20 P HA 0.051 4.471 4.420 -0.000 0.000 0.267 20 P C 0.206 177.564 177.300 0.095 0.000 1.200 20 P CA 0.150 63.285 63.100 0.057 0.000 0.772 20 P CB 0.473 32.226 31.700 0.089 0.000 0.855 21 D N 1.531 121.971 120.400 0.067 0.000 2.182 21 D HA -0.207 4.435 4.640 0.003 0.000 0.201 21 D C 0.876 177.219 176.300 0.072 0.000 0.986 21 D CA 1.496 55.534 54.000 0.063 0.000 0.847 21 D CB -0.189 40.636 40.800 0.041 0.000 0.942 21 D HN 0.418 8.788 8.370 -0.000 0.000 0.467 22 D N -1.536 118.910 120.400 0.076 0.000 2.325 22 D HA -0.096 4.546 4.640 0.003 0.000 0.225 22 D C -0.007 176.335 176.300 0.070 0.000 1.096 22 D CA -0.457 53.576 54.000 0.056 0.000 0.844 22 D CB -1.148 39.673 40.800 0.035 0.000 0.925 22 D HN 0.280 8.650 8.370 -0.000 0.000 0.513 23 Y N 1.715 122.016 120.300 0.003 0.000 2.425 23 Y HA 0.259 4.812 4.550 0.004 0.000 0.331 23 Y C -1.984 173.911 175.900 -0.007 0.000 1.157 23 Y CA -2.080 56.021 58.100 0.001 0.000 1.372 23 Y CB 0.453 38.919 38.460 0.010 0.000 1.253 23 Y HN -0.155 8.125 8.280 -0.000 0.000 0.536 24 P HA -0.015 4.405 4.420 -0.000 0.000 0.265 24 P C -0.770 176.482 177.300 -0.081 0.000 1.187 24 P CA 0.337 63.279 63.100 -0.263 0.000 0.766 24 P CB 0.417 31.877 31.700 -0.400 0.000 0.820 25 T N -0.254 114.265 114.554 -0.058 0.000 2.949 25 T HA 0.796 5.148 4.350 0.003 0.000 0.287 25 T C -1.036 173.668 174.700 0.008 0.000 1.034 25 T CA -0.691 61.402 62.100 -0.011 0.000 1.018 25 T CB 1.081 69.921 68.868 -0.047 0.000 1.135 25 T HN 0.281 8.521 8.240 -0.000 0.000 0.532 26 F N 1.130 120.974 119.950 -0.177 0.000 2.688 26 F HA 0.567 5.097 4.527 0.005 0.000 0.308 26 F C -2.952 172.757 175.800 -0.152 0.000 1.117 26 F CA -1.818 56.072 58.000 -0.185 0.000 0.976 26 F CB 2.164 41.021 39.000 -0.238 0.000 1.291 26 F HN 0.498 8.798 8.300 -0.000 0.000 0.439 27 P HA 0.207 4.627 4.420 -0.000 0.000 0.292 27 P C -1.592 175.355 177.300 -0.588 0.000 1.283 27 P CA -0.127 62.199 63.100 -1.290 0.000 0.835 27 P CB 1.658 32.628 31.700 -1.217 0.000 1.017 28 D N 2.156 122.280 120.400 -0.460 0.000 2.411 28 D HA 0.103 4.746 4.640 0.003 0.000 0.225 28 D C 0.730 176.919 176.300 -0.185 0.000 1.156 28 D CA -0.167 53.690 54.000 -0.239 0.000 0.874 28 D CB 0.319 41.028 40.800 -0.152 0.000 1.034 28 D HN 0.213 8.583 8.370 -0.000 0.000 0.502 29 T N -0.335 114.138 114.554 -0.134 0.000 3.219 29 T HA -0.031 4.321 4.350 0.003 0.000 0.249 29 T C 1.577 176.287 174.700 0.017 0.000 1.099 29 T CA 0.221 62.292 62.100 -0.049 0.000 0.988 29 T CB -0.254 68.597 68.868 -0.029 0.000 0.999 29 T HN 0.241 8.481 8.240 -0.000 0.000 0.550 30 S N 1.120 116.819 115.700 -0.002 0.000 2.522 30 S HA 0.040 4.512 4.470 0.003 0.000 0.227 30 S C 1.028 175.660 174.600 0.054 0.000 0.986 30 S CA 0.228 58.442 58.200 0.024 0.000 0.929 30 S CB -0.673 62.529 63.200 0.003 0.000 0.769 30 S HN 0.780 9.090 8.310 -0.000 0.000 0.529 31 T N -2.678 111.913 114.554 0.062 0.000 2.916 31 T HA 0.633 4.985 4.350 0.003 0.000 0.292 31 T C -1.605 173.206 174.700 0.185 0.000 1.064 31 T CA -0.969 61.194 62.100 0.104 0.000 1.011 31 T CB 1.482 70.383 68.868 0.056 0.000 1.152 31 T HN 0.480 8.720 8.240 -0.000 0.000 0.510 32 W N 2.429 123.759 121.300 0.049 0.000 2.957 32 W HA 0.592 5.254 4.660 0.004 0.000 0.336 32 W C -2.556 174.017 176.519 0.090 0.000 1.087 32 W CA -1.724 55.666 57.345 0.075 0.000 1.235 32 W CB 0.969 30.478 29.460 0.082 0.000 1.399 32 W HN 0.768 8.948 8.180 -0.000 0.000 0.480 33 P HA 0.181 4.601 4.420 -0.000 0.000 0.271 33 P C -0.444 176.633 177.300 -0.373 0.000 1.233 33 P CA -0.422 62.006 63.100 -1.119 0.000 0.789 33 P CB 0.244 31.401 31.700 -0.905 0.000 0.951 34 V N -0.685 119.081 119.914 -0.248 0.000 2.740 34 V HA 0.127 4.249 4.120 0.003 0.000 0.303 34 V C 0.148 176.260 176.094 0.030 0.000 1.054 34 V CA -0.748 61.508 62.300 -0.074 0.000 1.106 34 V CB 0.332 32.089 31.823 -0.110 0.000 0.957 34 V HN 0.249 8.439 8.190 -0.000 0.000 0.486 35 V N 5.385 125.326 119.914 0.044 0.000 2.572 35 V HA 0.179 4.301 4.120 0.003 0.000 0.291 35 V C 0.082 176.328 176.094 0.254 0.000 1.039 35 V CA 0.047 62.408 62.300 0.103 0.000 1.055 35 V CB 0.457 32.308 31.823 0.047 0.000 0.969 35 V HN 0.796 8.986 8.190 -0.000 0.000 0.482 36 F N 8.286 128.320 119.950 0.140 0.000 2.424 36 F HA 0.498 5.027 4.527 0.003 0.000 0.356 36 F C -1.398 174.429 175.800 0.045 0.000 1.110 36 F CA -2.262 55.808 58.000 0.117 0.000 1.161 36 F CB 1.019 39.986 39.000 -0.056 0.000 1.115 36 F HN 0.390 8.690 8.300 -0.000 0.000 0.507 37 P HA 0.039 4.459 4.420 -0.000 0.000 0.272 37 P C -1.144 176.146 177.300 -0.017 0.000 1.223 37 P CA -0.351 62.675 63.100 -0.123 0.000 0.784 37 P CB 0.660 32.228 31.700 -0.219 0.000 0.923 38 E N 3.000 123.198 120.200 -0.003 0.000 2.384 38 E HA 0.151 4.503 4.350 0.003 0.000 0.266 38 E C -0.583 175.988 176.600 -0.049 0.000 1.012 38 E CA -0.118 56.290 56.400 0.014 0.000 0.901 38 E CB 0.415 30.116 29.700 0.001 0.000 0.967 38 E HN 0.388 8.748 8.360 -0.000 0.000 0.435 39 L N 3.242 124.461 121.223 -0.007 0.000 2.325 39 L HA 0.426 4.768 4.340 0.003 0.000 0.278 39 L C -1.976 174.887 176.870 -0.012 0.000 1.023 39 L CA -2.408 52.400 54.840 -0.054 0.000 0.811 39 L CB 1.210 43.309 42.059 0.068 0.000 1.249 39 L HN 0.430 8.660 8.230 -0.000 0.000 0.431 40 P HA 0.125 4.545 4.420 -0.000 0.000 0.272 40 P C -0.401 176.950 177.300 0.086 0.000 1.223 40 P CA -0.522 62.601 63.100 0.038 0.000 0.784 40 P CB 0.682 32.417 31.700 0.060 0.000 0.923 41 A N 1.188 124.055 122.820 0.078 0.000 3.004 41 A HA 0.441 4.763 4.320 0.003 0.000 0.252 41 A C 0.858 178.511 177.584 0.115 0.000 1.802 41 A CA 0.068 52.160 52.037 0.093 0.000 1.424 41 A CB -1.511 17.540 19.000 0.084 0.000 1.005 41 A HN 0.660 8.810 8.150 -0.000 0.000 0.631 42 A N 1.019 123.906 122.820 0.110 0.000 2.250 42 A HA 0.644 4.966 4.320 0.003 0.000 0.283 42 A C -1.178 176.405 177.584 -0.002 0.000 1.206 42 A CA -1.518 50.567 52.037 0.080 0.000 0.840 42 A CB -0.528 18.553 19.000 0.135 0.000 1.220 42 A HN 0.315 8.465 8.150 -0.000 0.000 0.505 43 P HA -0.225 4.195 4.420 -0.000 0.000 0.063 43 P C -0.331 176.591 177.300 -0.629 0.000 1.066 43 P CA 1.628 64.528 63.100 -0.333 0.000 1.007 43 P CB -1.642 29.904 31.700 -0.257 0.000 1.846 44 Y N -5.064 115.249 120.300 0.022 0.000 2.930 44 Y HA -0.237 4.314 4.550 0.001 0.000 0.221 44 Y C 0.861 176.768 175.900 0.011 0.000 1.102 44 Y CA -0.094 58.016 58.100 0.017 0.000 1.079 44 Y CB -2.476 35.992 38.460 0.013 0.000 1.165 44 Y HN 0.202 8.482 8.280 -0.000 0.000 0.573 45 G N 0.273 109.069 108.800 -0.007 0.000 4.403 45 G HA2 0.521 4.483 3.960 0.003 0.000 0.297 45 G HA3 0.521 4.483 3.960 0.003 0.000 0.297 45 G C 0.952 175.865 174.900 0.022 0.000 1.325 45 G CA 0.144 45.240 45.100 -0.007 0.000 1.378 45 G HN 1.318 9.608 8.290 -0.000 0.000 0.595 46 G N 2.149 110.982 108.800 0.055 0.000 2.634 46 G HA2 -0.300 3.662 3.960 0.003 0.000 0.318 46 G HA3 -0.300 3.662 3.960 0.003 0.000 0.318 46 G C -1.590 173.325 174.900 0.025 0.000 1.207 46 G CA 0.060 45.181 45.100 0.035 0.000 0.987 46 G HN 0.703 8.993 8.290 -0.000 0.000 0.547 47 P HA 0.402 4.822 4.420 -0.000 0.000 0.266 47 P C 0.352 177.668 177.300 0.026 0.000 1.195 47 P CA -0.163 62.942 63.100 0.008 0.000 0.768 47 P CB 0.314 32.009 31.700 -0.007 0.000 0.838 48 C N 2.917 122.244 119.300 0.045 0.000 2.652 48 C HA 0.208 4.670 4.460 0.003 0.000 0.412 48 C C 1.248 176.294 174.990 0.094 0.000 1.294 48 C CA -0.609 58.463 59.018 0.089 0.000 2.127 48 C CB -0.658 27.156 27.740 0.123 0.000 2.691 48 C HN 0.562 8.792 8.230 -0.000 0.000 0.615 49 R N 3.547 124.109 120.500 0.104 0.000 2.449 49 R HA 0.145 4.487 4.340 0.003 0.000 0.296 49 R C -2.130 174.286 176.300 0.193 0.000 1.047 49 R CA -0.648 55.483 56.100 0.053 0.000 1.018 49 R CB 0.358 30.565 30.300 -0.156 0.000 0.962 49 R HN 0.509 8.779 8.270 -0.000 0.000 0.428 50 P HA 0.101 4.521 4.420 -0.000 0.000 0.270 50 P C -2.578 174.904 177.300 0.303 0.000 1.223 50 P CA -1.344 61.894 63.100 0.229 0.000 0.785 50 P CB -0.061 31.742 31.700 0.171 0.000 0.923 51 P HA 0.016 4.436 4.420 -0.000 0.000 0.269 51 P C -0.106 177.330 177.300 0.226 0.000 1.209 51 P CA 0.152 63.365 63.100 0.189 0.000 0.776 51 P CB 0.358 31.973 31.700 -0.142 0.000 0.876 52 Q N 1.608 121.572 119.800 0.274 0.000 2.382 52 Q HA 0.140 4.482 4.340 0.003 0.000 0.229 52 Q C 0.307 176.438 176.000 0.217 0.000 1.006 52 Q CA -0.547 55.400 55.803 0.239 0.000 0.916 52 Q CB 0.364 29.232 28.738 0.216 0.000 1.235 52 Q HN 0.532 8.802 8.270 -0.000 0.000 0.512 53 H N 0.550 119.703 119.070 0.140 0.000 2.852 53 H HA -0.030 4.528 4.556 0.003 0.000 0.362 53 H C 0.389 175.748 175.328 0.051 0.000 1.122 53 H CA 0.881 56.972 56.048 0.072 0.000 1.419 53 H CB 1.113 30.877 29.762 0.003 0.000 1.401 53 H HN 0.845 9.125 8.280 -0.000 0.000 0.609 54 T N 2.202 116.326 114.554 -0.718 0.000 2.721 54 T HA -0.248 4.104 4.350 0.003 0.000 0.268 54 T C 2.089 176.650 174.700 -0.231 0.000 1.038 54 T CA 2.054 63.865 62.100 -0.482 0.000 1.145 54 T CB -0.310 68.209 68.868 -0.581 0.000 0.858 54 T HN 0.705 8.945 8.240 -0.000 0.000 0.459 55 S N 0.775 116.416 115.700 -0.098 0.000 2.522 55 S HA 0.026 4.498 4.470 0.003 0.000 0.227 55 S C 0.920 175.599 174.600 0.131 0.000 0.986 55 S CA 0.478 58.755 58.200 0.128 0.000 0.929 55 S CB -0.432 62.945 63.200 0.294 0.000 0.769 55 S HN 0.605 8.915 8.310 -0.000 0.000 0.529 56 K N 0.021 120.506 120.400 0.141 0.000 3.209 56 K HA -0.171 4.151 4.320 0.003 0.000 0.289 56 K C 0.339 177.044 176.600 0.174 0.000 1.191 56 K CA 0.413 56.786 56.287 0.143 0.000 0.851 56 K CB -2.704 29.850 32.500 0.090 0.000 1.242 56 K HN 0.664 8.914 8.250 -0.000 0.000 0.480 57 A N 0.793 123.757 122.820 0.240 0.000 2.425 57 A HA 0.580 4.902 4.320 0.003 0.000 0.242 57 A C 0.520 178.300 177.584 0.327 0.000 1.077 57 A CA 0.441 52.641 52.037 0.272 0.000 0.781 57 A CB 0.473 19.673 19.000 0.333 0.000 1.020 57 A HN 0.460 8.610 8.150 -0.000 0.000 0.494 58 A N 0.718 123.639 122.820 0.168 0.000 2.340 58 A HA 0.740 5.062 4.320 0.003 0.000 0.331 58 A C 0.464 177.759 177.584 -0.482 0.000 1.140 58 A CA -0.070 51.943 52.037 -0.040 0.000 0.801 58 A CB 0.722 19.690 19.000 -0.053 0.000 1.234 58 A HN 2.255 10.405 8.150 -0.000 0.000 0.469 59 A N 2.903 125.166 122.820 -0.929 0.000 2.498 59 A HA 0.543 4.865 4.320 0.003 0.000 0.239 59 A C -1.995 175.158 177.584 -0.717 0.000 1.068 59 A CA -0.814 50.291 52.037 -1.553 0.000 0.766 59 A CB -0.626 17.660 19.000 -1.191 0.000 1.003 59 A HN 0.641 8.791 8.150 -0.000 0.000 0.497 60 P HA 0.138 4.558 4.420 -0.000 0.000 0.271 60 P C -0.753 176.459 177.300 -0.147 0.000 1.218 60 P CA -0.164 62.797 63.100 -0.232 0.000 0.780 60 P CB 0.490 32.120 31.700 -0.118 0.000 0.901 61 R N 2.651 123.136 120.500 -0.026 0.000 2.291 61 R HA 0.386 4.728 4.340 0.003 0.000 0.333 61 R C -0.037 176.349 176.300 0.145 0.000 1.082 61 R CA -0.083 56.093 56.100 0.126 0.000 0.948 61 R CB -0.291 30.111 30.300 0.170 0.000 1.009 61 R HN 0.510 8.780 8.270 -0.000 0.000 0.460 62 I N 5.057 125.651 120.570 0.041 0.000 2.466 62 I HA 0.296 4.468 4.170 0.003 0.000 0.289 62 I C -2.248 173.663 176.117 -0.344 0.000 1.026 62 I CA -2.932 58.341 61.300 -0.045 0.000 1.078 62 I CB 2.349 40.322 38.000 -0.044 0.000 1.249 62 I HN 0.216 8.426 8.210 -0.000 0.000 0.429 63 P HA -0.011 4.409 4.420 -0.000 0.000 0.265 63 P C 0.525 177.573 177.300 -0.421 0.000 1.187 63 P CA 0.121 62.823 63.100 -0.664 0.000 0.766 63 P CB 0.858 32.457 31.700 -0.168 0.000 0.820 64 A N 3.978 126.528 122.820 -0.450 0.000 1.940 64 A HA -0.217 4.105 4.320 0.003 0.000 0.219 64 A C 1.640 179.158 177.584 -0.110 0.000 1.176 64 A CA 2.005 53.904 52.037 -0.231 0.000 0.631 64 A CB -1.118 17.772 19.000 -0.183 0.000 0.814 64 A HN 0.684 8.834 8.150 -0.000 0.000 0.446 65 D N -1.612 118.733 120.400 -0.092 0.000 2.347 65 D HA -0.097 4.545 4.640 0.003 0.000 0.215 65 D C 1.581 177.879 176.300 -0.004 0.000 0.976 65 D CA 0.386 54.366 54.000 -0.032 0.000 0.884 65 D CB -0.257 40.529 40.800 -0.023 0.000 0.915 65 D HN 0.345 8.715 8.370 -0.000 0.000 0.526 66 R N 0.078 120.570 120.500 -0.014 0.000 2.265 66 R HA 0.264 4.606 4.340 0.003 0.000 0.194 66 R C 0.962 177.341 176.300 0.131 0.000 0.931 66 R CA -0.205 55.917 56.100 0.037 0.000 1.032 66 R CB 0.384 30.688 30.300 0.007 0.000 0.980 66 R HN 0.233 8.503 8.270 -0.000 0.000 0.497 67 L N 3.451 124.715 121.223 0.069 0.000 2.467 67 L HA 0.102 4.444 4.340 0.003 0.000 0.270 67 L C -1.811 175.118 176.870 0.097 0.000 1.205 67 L CA -1.513 53.375 54.840 0.080 0.000 0.828 67 L CB 0.103 42.162 42.059 0.001 0.000 1.101 67 L HN -0.127 8.103 8.230 -0.000 0.000 0.479 68 P HA 0.047 4.467 4.420 -0.000 0.000 0.276 68 P C -0.394 176.874 177.300 -0.054 0.000 1.230 68 P CA -0.198 62.741 63.100 -0.269 0.000 0.776 68 P CB 0.886 32.214 31.700 -0.619 0.000 0.888 69 N N 2.126 120.832 118.700 0.010 0.000 2.216 69 N HA -0.151 4.591 4.740 0.003 0.000 0.183 69 N C 0.068 175.702 175.510 0.207 0.000 1.017 69 N CA 1.066 54.179 53.050 0.105 0.000 0.861 69 N CB -0.083 38.453 38.487 0.082 0.000 0.986 69 N HN 0.620 9.000 8.380 -0.000 0.000 0.428 70 H N -0.628 118.434 119.070 -0.014 0.000 2.924 70 H HA 0.429 4.988 4.556 0.004 0.000 0.333 70 H C -1.550 173.726 175.328 -0.086 0.000 0.979 70 H CA -0.942 55.109 56.048 0.005 0.000 1.326 70 H CB 0.987 30.682 29.762 -0.111 0.000 1.600 70 H HN -0.199 8.081 8.280 -0.000 0.000 0.520 71 V N 4.109 124.128 119.914 0.175 0.000 2.435 71 V HA 0.572 4.694 4.120 0.003 0.000 0.290 71 V C 0.067 176.141 176.094 -0.033 0.000 1.030 71 V CA -0.516 61.769 62.300 -0.024 0.000 0.881 71 V CB 1.128 32.960 31.823 0.014 0.000 0.983 71 V HN 0.852 9.042 8.190 -0.000 0.000 0.445 72 A N 6.538 129.197 122.820 -0.267 0.000 2.318 72 A HA 0.902 5.224 4.320 0.003 0.000 0.324 72 A C -0.730 176.658 177.584 -0.326 0.000 1.170 72 A CA -0.520 51.322 52.037 -0.325 0.000 0.810 72 A CB 0.675 19.249 19.000 -0.709 0.000 1.198 72 A HN 0.770 8.920 8.150 -0.000 0.000 0.484 73 I N 2.632 123.112 120.570 -0.150 0.000 2.466 73 I HA 0.304 4.476 4.170 0.003 0.000 0.289 73 I C -0.791 175.110 176.117 -0.359 0.000 1.026 73 I CA -0.949 60.205 61.300 -0.243 0.000 1.078 73 I CB 2.140 40.027 38.000 -0.188 0.000 1.249 73 I HN 0.269 8.479 8.210 -0.000 0.000 0.429 74 V N 6.969 126.688 119.914 -0.324 0.000 2.353 74 V HA 0.266 4.388 4.120 0.003 0.000 0.264 74 V C 0.466 176.327 176.094 -0.387 0.000 1.049 74 V CA -0.277 61.847 62.300 -0.293 0.000 0.896 74 V CB 0.911 32.747 31.823 0.022 0.000 1.025 74 V HN 0.670 8.860 8.190 -0.000 0.000 0.475 75 M N 4.402 123.611 119.600 -0.652 0.000 2.974 75 M HA 0.293 4.775 4.480 0.003 0.000 0.301 75 M C -0.346 175.637 176.300 -0.529 0.000 1.409 75 M CA 0.124 54.778 55.300 -1.077 0.000 1.515 75 M CB -0.144 31.413 32.600 -1.738 0.000 1.163 75 M HN 0.506 8.796 8.290 -0.000 0.000 0.520 76 D N 0.594 120.872 120.400 -0.202 0.000 2.198 76 D HA 0.597 5.239 4.640 0.003 0.000 0.247 76 D C 0.843 177.183 176.300 0.068 0.000 1.010 76 D CA 0.506 54.471 54.000 -0.058 0.000 0.880 76 D CB 1.754 42.543 40.800 -0.018 0.000 1.209 76 D HN 0.701 9.071 8.370 -0.000 0.000 0.451 77 G N 2.833 111.664 108.800 0.051 0.000 2.163 77 G HA2 -0.257 3.705 3.960 0.003 0.000 0.213 77 G HA3 -0.257 3.705 3.960 0.003 0.000 0.213 77 G C 1.090 176.044 174.900 0.090 0.000 0.991 77 G CA 0.189 45.343 45.100 0.090 0.000 0.653 77 G HN 0.484 8.774 8.290 -0.000 0.000 0.518 78 N N 0.988 119.691 118.700 0.005 0.000 2.043 78 N HA -0.097 4.645 4.740 0.003 0.000 0.193 78 N C 2.401 177.811 175.510 -0.168 0.000 1.037 78 N CA 2.116 55.086 53.050 -0.133 0.000 0.851 78 N CB -0.831 37.437 38.487 -0.365 0.000 1.027 78 N HN 0.592 8.972 8.380 -0.000 0.000 0.422 79 G N 0.924 109.583 108.800 -0.235 0.000 2.418 79 G HA2 -0.240 3.722 3.960 0.003 0.000 0.217 79 G HA3 -0.240 3.722 3.960 0.003 0.000 0.217 79 G C 1.766 176.658 174.900 -0.013 0.000 1.158 79 G CA 0.497 45.514 45.100 -0.138 0.000 0.771 79 G HN 0.268 8.558 8.290 -0.000 0.000 0.545 80 R N -1.027 119.488 120.500 0.025 0.000 2.083 80 R HA -0.148 4.194 4.340 0.003 0.000 0.237 80 R C 2.241 178.592 176.300 0.086 0.000 1.137 80 R CA 1.601 57.729 56.100 0.047 0.000 0.951 80 R CB -0.490 29.845 30.300 0.058 0.000 0.851 80 R HN 0.552 8.822 8.270 -0.000 0.000 0.434 81 W N 0.915 122.183 121.300 -0.053 0.000 2.318 81 W HA -0.307 4.356 4.660 0.004 0.000 0.313 81 W C 2.204 178.684 176.519 -0.066 0.000 1.221 81 W CA 2.281 59.599 57.345 -0.045 0.000 1.266 81 W CB -0.355 29.086 29.460 -0.031 0.000 1.150 81 W HN 0.169 8.349 8.180 -0.000 0.000 0.496 82 A N -0.459 122.519 122.820 0.264 0.000 1.877 82 A HA -0.213 4.109 4.320 0.003 0.000 0.216 82 A C 1.888 179.417 177.584 -0.091 0.000 1.186 82 A CA 2.575 54.657 52.037 0.075 0.000 0.620 82 A CB -1.462 17.584 19.000 0.078 0.000 0.822 82 A HN 0.325 8.475 8.150 -0.000 0.000 0.443 83 T N 0.195 114.713 114.554 -0.060 0.000 2.720 83 T HA -0.198 4.154 4.350 0.003 0.000 0.268 83 T C 1.960 176.595 174.700 -0.109 0.000 1.037 83 T CA 1.766 63.821 62.100 -0.076 0.000 1.144 83 T CB -0.341 68.498 68.868 -0.048 0.000 0.864 83 T HN 0.618 8.858 8.240 -0.000 0.000 0.444 84 Q N 0.254 119.975 119.800 -0.133 0.000 2.368 84 Q HA -0.030 4.312 4.340 0.003 0.000 0.210 84 Q C 1.925 177.795 176.000 -0.217 0.000 0.982 84 Q CA 1.010 56.715 55.803 -0.163 0.000 0.884 84 Q CB -0.056 28.574 28.738 -0.181 0.000 0.933 84 Q HN 0.418 8.688 8.270 -0.000 0.000 0.460 85 R N -1.349 118.986 120.500 -0.274 0.000 2.432 85 R HA 0.160 4.502 4.340 0.003 0.000 0.260 85 R C 0.687 176.877 176.300 -0.184 0.000 0.935 85 R CA 0.437 56.369 56.100 -0.280 0.000 1.080 85 R CB 0.990 31.022 30.300 -0.446 0.000 1.155 85 R HN 0.249 8.519 8.270 -0.000 0.000 0.531 86 G N 1.399 110.113 108.800 -0.142 0.000 2.147 86 G HA2 -0.266 3.696 3.960 0.003 0.000 0.244 86 G HA3 -0.266 3.696 3.960 0.003 0.000 0.244 86 G C -0.059 174.783 174.900 -0.096 0.000 1.005 86 G CA -0.009 45.029 45.100 -0.103 0.000 0.713 86 G HN 0.148 8.438 8.290 -0.000 0.000 0.515 87 L N -0.108 121.051 121.223 -0.106 0.000 2.334 87 L HA 0.816 5.159 4.340 0.003 0.000 0.270 87 L C 1.117 177.935 176.870 -0.086 0.000 1.018 87 L CA -0.830 53.955 54.840 -0.092 0.000 0.811 87 L CB 1.618 43.627 42.059 -0.085 0.000 1.271 87 L HN 0.270 8.500 8.230 -0.000 0.000 0.443 88 A N 1.329 124.090 122.820 -0.099 0.000 2.520 88 A HA 0.148 4.470 4.320 0.003 0.000 0.235 88 A C 1.195 178.702 177.584 -0.130 0.000 1.065 88 A CA 0.028 51.996 52.037 -0.115 0.000 0.764 88 A CB 0.139 19.053 19.000 -0.144 0.000 1.002 88 A HN 0.909 9.059 8.150 -0.000 0.000 0.502 89 R N 0.493 120.923 120.500 -0.117 0.000 2.105 89 R HA -0.151 4.191 4.340 0.003 0.000 0.239 89 R C 2.154 178.349 176.300 -0.176 0.000 1.135 89 R CA 1.970 58.001 56.100 -0.115 0.000 0.967 89 R CB -0.782 29.489 30.300 -0.049 0.000 0.861 89 R HN 0.964 9.234 8.270 -0.000 0.000 0.442 90 T N -0.504 113.883 114.554 -0.278 0.000 2.929 90 T HA -0.094 4.258 4.350 0.003 0.000 0.271 90 T C 1.564 175.926 174.700 -0.563 0.000 1.085 90 T CA 0.875 62.598 62.100 -0.630 0.000 1.125 90 T CB -0.065 67.928 68.868 -1.460 0.000 0.874 90 T HN 0.120 8.360 8.240 -0.000 0.000 0.494 91 E N 1.497 121.483 120.200 -0.357 0.000 2.110 91 E HA -0.015 4.337 4.350 0.003 0.000 0.193 91 E C 2.534 179.060 176.600 -0.125 0.000 0.988 91 E CA 1.247 57.499 56.400 -0.246 0.000 0.804 91 E CB -0.982 28.640 29.700 -0.132 0.000 0.745 91 E HN 0.707 9.067 8.360 -0.000 0.000 0.458 92 G N 0.317 109.075 108.800 -0.071 0.000 2.418 92 G HA2 -0.266 3.696 3.960 0.003 0.000 0.217 92 G HA3 -0.266 3.696 3.960 0.003 0.000 0.217 92 G C 1.282 176.063 174.900 -0.198 0.000 1.158 92 G CA 1.026 46.073 45.100 -0.089 0.000 0.771 92 G HN 0.366 8.656 8.290 -0.000 0.000 0.545 93 H N 0.320 119.350 119.070 -0.067 0.000 2.353 93 H HA 0.052 4.610 4.556 0.003 0.000 0.300 93 H C 2.637 177.997 175.328 0.054 0.000 1.090 93 H CA 1.421 57.491 56.048 0.036 0.000 1.327 93 H CB 0.105 29.919 29.762 0.088 0.000 1.383 93 H HN 0.265 8.545 8.280 -0.000 0.000 0.508 94 K N 0.001 120.368 120.400 -0.055 0.000 2.074 94 K HA -0.165 4.157 4.320 0.003 0.000 0.209 94 K C 1.807 178.654 176.600 0.412 0.000 1.048 94 K CA 1.410 57.737 56.287 0.066 0.000 0.926 94 K CB 0.026 32.226 32.500 -0.499 0.000 0.713 94 K HN 0.261 8.511 8.250 -0.000 0.000 0.444 95 M N -0.448 119.203 119.600 0.085 0.000 2.394 95 M HA -0.024 4.458 4.480 0.003 0.000 0.264 95 M C 2.209 178.529 176.300 0.033 0.000 1.073 95 M CA 1.071 56.367 55.300 -0.008 0.000 1.111 95 M CB -0.932 31.390 32.600 -0.464 0.000 1.401 95 M HN 0.244 8.534 8.290 -0.000 0.000 0.448 96 G N 0.005 108.910 108.800 0.176 0.000 2.471 96 G HA2 -0.203 3.759 3.960 0.003 0.000 0.219 96 G HA3 -0.203 3.759 3.960 0.003 0.000 0.219 96 G C 1.485 176.673 174.900 0.480 0.000 1.125 96 G CA 0.620 45.948 45.100 0.380 0.000 0.775 96 G HN 0.566 8.856 8.290 -0.000 0.000 0.548 97 E N 0.626 121.129 120.200 0.504 0.000 2.058 97 E HA -0.131 4.221 4.350 0.003 0.000 0.194 97 E C 2.746 179.546 176.600 0.332 0.000 0.997 97 E CA 1.131 57.791 56.400 0.434 0.000 0.801 97 E CB -0.256 29.723 29.700 0.464 0.000 0.746 97 E HN 0.321 8.681 8.360 -0.000 0.000 0.450 98 A N 0.517 123.499 122.820 0.270 0.000 1.933 98 A HA -0.142 4.180 4.320 0.003 0.000 0.218 98 A C 2.394 180.114 177.584 0.227 0.000 1.175 98 A CA 1.537 53.711 52.037 0.228 0.000 0.628 98 A CB -0.603 18.402 19.000 0.008 0.000 0.814 98 A HN 0.241 8.391 8.150 -0.000 0.000 0.444 99 V N -0.480 119.483 119.914 0.082 0.000 2.307 99 V HA -0.225 3.897 4.120 0.003 0.000 0.245 99 V C 2.547 178.734 176.094 0.154 0.000 1.045 99 V CA 1.843 64.086 62.300 -0.096 0.000 1.024 99 V CB -0.922 30.491 31.823 -0.684 0.000 0.651 99 V HN 0.362 8.552 8.190 -0.000 0.000 0.449 100 V N 0.169 120.335 119.914 0.421 0.000 2.252 100 V HA -0.288 3.834 4.120 0.003 0.000 0.249 100 V C 2.324 178.609 176.094 0.319 0.000 1.056 100 V CA 2.127 64.716 62.300 0.481 0.000 1.022 100 V CB -0.556 31.532 31.823 0.442 0.000 0.641 100 V HN 0.401 8.591 8.190 -0.000 0.000 0.445 101 I N 0.118 120.868 120.570 0.300 0.000 2.315 101 I HA -0.171 4.001 4.170 0.003 0.000 0.248 101 I C 2.337 178.600 176.117 0.243 0.000 1.117 101 I CA 1.795 63.227 61.300 0.221 0.000 1.404 101 I CB -1.341 36.775 38.000 0.193 0.000 1.071 101 I HN 0.416 8.626 8.210 -0.000 0.000 0.419 102 D N 1.186 121.828 120.400 0.404 0.000 2.123 102 D HA -0.194 4.448 4.640 0.003 0.000 0.196 102 D C 2.037 178.440 176.300 0.172 0.000 0.992 102 D CA 1.233 55.438 54.000 0.342 0.000 0.833 102 D CB 0.106 41.068 40.800 0.270 0.000 0.954 102 D HN 0.117 8.487 8.370 -0.000 0.000 0.455 103 I N 0.662 121.334 120.570 0.169 0.000 2.315 103 I HA -0.071 4.101 4.170 0.003 0.000 0.248 103 I C 2.346 178.564 176.117 0.169 0.000 1.117 103 I CA 0.902 62.302 61.300 0.166 0.000 1.404 103 I CB -0.884 37.289 38.000 0.288 0.000 1.071 103 I HN 0.051 8.261 8.210 -0.000 0.000 0.419 104 A N -0.561 122.361 122.820 0.169 0.000 1.883 104 A HA -0.259 4.063 4.320 0.003 0.000 0.217 104 A C 2.509 180.164 177.584 0.118 0.000 1.186 104 A CA 2.069 54.181 52.037 0.125 0.000 0.624 104 A CB -1.414 17.639 19.000 0.088 0.000 0.822 104 A HN 0.517 8.667 8.150 -0.000 0.000 0.444 105 C N -1.072 118.305 119.300 0.128 0.000 2.432 105 C HA -0.005 4.457 4.460 0.003 0.000 0.277 105 C C 3.007 178.116 174.990 0.199 0.000 1.249 105 C CA 0.659 59.766 59.018 0.149 0.000 1.725 105 C CB -1.677 26.156 27.740 0.155 0.000 2.028 105 C HN 0.713 8.943 8.230 -0.000 0.000 0.477 106 G N 0.177 109.096 108.800 0.198 0.000 2.422 106 G HA2 -0.016 3.946 3.960 0.003 0.000 0.218 106 G HA3 -0.016 3.946 3.960 0.003 0.000 0.218 106 G C 1.850 177.015 174.900 0.441 0.000 1.146 106 G CA 0.997 46.288 45.100 0.319 0.000 0.769 106 G HN 0.624 8.914 8.290 -0.000 0.000 0.547 107 A N 0.613 123.589 122.820 0.260 0.000 1.930 107 A HA 0.106 4.428 4.320 0.003 0.000 0.217 107 A C 2.372 180.049 177.584 0.155 0.000 1.175 107 A CA 1.090 53.254 52.037 0.212 0.000 0.627 107 A CB -0.280 18.810 19.000 0.150 0.000 0.815 107 A HN 0.382 8.532 8.150 -0.000 0.000 0.443 108 I N -0.522 120.128 120.570 0.133 0.000 2.202 108 I HA -0.239 3.933 4.170 0.003 0.000 0.242 108 I C 2.421 178.587 176.117 0.082 0.000 1.091 108 I CA 1.520 62.869 61.300 0.081 0.000 1.368 108 I CB -0.440 37.599 38.000 0.065 0.000 1.058 108 I HN 0.396 8.606 8.210 -0.000 0.000 0.410 109 E N 0.426 120.710 120.200 0.140 0.000 2.153 109 E HA -0.248 4.104 4.350 0.003 0.000 0.194 109 E C 2.008 178.604 176.600 -0.005 0.000 0.988 109 E CA 1.045 57.499 56.400 0.090 0.000 0.811 109 E CB -0.061 29.755 29.700 0.193 0.000 0.746 109 E HN 0.281 8.641 8.360 -0.000 0.000 0.466 110 L N -0.745 120.508 121.223 0.049 0.000 2.270 110 L HA 0.116 4.458 4.340 0.003 0.000 0.210 110 L C 1.372 178.218 176.870 -0.039 0.000 1.104 110 L CA 1.801 56.605 54.840 -0.059 0.000 0.804 110 L CB 0.198 42.291 42.059 0.056 0.000 0.937 110 L HN 0.229 8.459 8.230 -0.000 0.000 0.450 111 G N -0.630 108.170 108.800 0.001 0.000 2.138 111 G HA2 -0.219 3.743 3.960 0.003 0.000 0.193 111 G HA3 -0.219 3.743 3.960 0.003 0.000 0.193 111 G C 0.287 175.186 174.900 -0.001 0.000 0.998 111 G CA 0.043 45.132 45.100 -0.018 0.000 0.668 111 G HN 0.273 8.563 8.290 -0.000 0.000 0.516 112 I N 0.624 121.212 120.570 0.031 0.000 2.648 112 I HA 0.177 4.349 4.170 0.003 0.000 0.284 112 I C 1.555 177.683 176.117 0.018 0.000 1.153 112 I CA -0.150 61.177 61.300 0.046 0.000 1.426 112 I CB 0.887 38.936 38.000 0.081 0.000 1.381 112 I HN -0.114 8.096 8.210 -0.000 0.000 0.571 113 K N 4.313 124.736 120.400 0.038 0.000 2.308 113 K HA 0.111 4.433 4.320 0.003 0.000 0.197 113 K C -0.681 175.754 176.600 -0.276 0.000 1.049 113 K CA 0.736 56.979 56.287 -0.074 0.000 0.991 113 K CB 0.259 32.781 32.500 0.038 0.000 0.836 113 K HN 0.473 8.723 8.250 -0.000 0.000 0.500 114 W N 0.571 121.831 121.300 -0.067 0.000 2.839 114 W HA 0.447 5.106 4.660 -0.001 0.000 0.334 114 W C -1.072 175.420 176.519 -0.044 0.000 1.064 114 W CA -0.774 56.479 57.345 -0.153 0.000 1.236 114 W CB 1.138 30.363 29.460 -0.391 0.000 1.405 114 W HN -0.256 7.924 8.180 -0.000 0.000 0.478 115 L N 3.137 124.464 121.223 0.174 0.000 2.439 115 L HA 0.694 5.036 4.340 0.003 0.000 0.270 115 L C -0.764 176.224 176.870 0.196 0.000 0.972 115 L CA -0.281 54.676 54.840 0.194 0.000 0.836 115 L CB 1.880 44.017 42.059 0.130 0.000 1.255 115 L HN 0.235 8.465 8.230 -0.000 0.000 0.404 116 S N 5.802 121.643 115.700 0.234 0.000 2.449 116 S HA 0.765 5.237 4.470 0.003 0.000 0.310 116 S C -0.754 173.963 174.600 0.196 0.000 1.096 116 S CA -0.490 57.833 58.200 0.205 0.000 1.095 116 S CB 1.086 64.378 63.200 0.155 0.000 1.007 116 S HN 0.522 8.832 8.310 -0.000 0.000 0.474 117 L N 3.192 124.489 121.223 0.124 0.000 2.333 117 L HA 0.420 4.762 4.340 0.003 0.000 0.280 117 L C -0.728 175.989 176.870 -0.255 0.000 1.004 117 L CA -0.690 54.097 54.840 -0.088 0.000 0.820 117 L CB 1.313 43.310 42.059 -0.104 0.000 1.247 117 L HN 0.721 8.951 8.230 -0.000 0.000 0.416 118 Y N 2.720 122.541 120.300 -0.798 0.000 2.594 118 Y HA 0.150 4.703 4.550 0.004 0.000 0.344 118 Y C 1.163 176.706 175.900 -0.596 0.000 1.185 118 Y CA -0.702 56.790 58.100 -1.013 0.000 1.565 118 Y CB 1.093 38.624 38.460 -1.548 0.000 1.415 118 Y HN 0.873 9.153 8.280 -0.000 0.000 0.488 119 A N 5.310 127.950 122.820 -0.301 0.000 1.930 119 A HA -0.031 4.291 4.320 0.003 0.000 0.215 119 A C -0.319 177.184 177.584 -0.136 0.000 1.176 119 A CA 0.801 52.658 52.037 -0.300 0.000 0.632 119 A CB 0.191 18.894 19.000 -0.495 0.000 0.819 119 A HN 0.650 8.800 8.150 -0.000 0.000 0.445 120 F N -0.330 119.450 119.950 -0.284 0.000 2.623 120 F HA 0.426 4.955 4.527 0.003 0.000 0.323 120 F C -0.067 175.594 175.800 -0.232 0.000 1.158 120 F CA -0.543 57.265 58.000 -0.320 0.000 1.030 120 F CB 1.311 40.153 39.000 -0.264 0.000 1.280 120 F HN 0.065 8.365 8.300 -0.000 0.000 0.474 121 S N 2.019 117.297 115.700 -0.702 0.000 2.646 121 S HA 0.284 4.756 4.470 0.003 0.000 0.276 121 S C 1.080 175.628 174.600 -0.086 0.000 1.222 121 S CA 0.184 58.228 58.200 -0.260 0.000 1.014 121 S CB 1.461 64.422 63.200 -0.397 0.000 0.991 121 S HN 0.901 9.211 8.310 -0.000 0.000 0.533 122 T N -0.865 113.824 114.554 0.225 0.000 3.025 122 T HA -0.029 4.323 4.350 0.003 0.000 0.270 122 T C 0.865 175.753 174.700 0.313 0.000 1.126 122 T CA 1.363 63.683 62.100 0.368 0.000 1.105 122 T CB -0.506 68.530 68.868 0.279 0.000 0.884 122 T HN 0.691 8.931 8.240 -0.000 0.000 0.522 123 E N 1.068 121.315 120.200 0.078 0.000 2.415 123 E HA 0.219 4.571 4.350 0.003 0.000 0.197 123 E C 1.754 178.292 176.600 -0.104 0.000 1.007 123 E CA 0.090 56.513 56.400 0.037 0.000 0.890 123 E CB -0.218 29.489 29.700 0.013 0.000 0.891 123 E HN 0.677 9.037 8.360 -0.000 0.000 0.496 124 N N -0.366 118.070 118.700 -0.440 0.000 2.550 124 N HA -0.105 4.637 4.740 0.003 0.000 0.186 124 N C 0.533 175.785 175.510 -0.430 0.000 1.110 124 N CA 0.226 52.855 53.050 -0.702 0.000 0.912 124 N CB -0.049 37.481 38.487 -1.595 0.000 0.968 124 N HN 0.266 8.646 8.380 -0.000 0.000 0.448 125 W N 1.518 122.816 121.300 -0.003 0.000 2.468 125 W HA -0.039 4.622 4.660 0.003 0.000 0.262 125 W C 1.807 178.367 176.519 0.068 0.000 1.241 125 W CA 0.259 57.687 57.345 0.139 0.000 1.232 125 W CB -0.001 29.555 29.460 0.159 0.000 1.124 125 W HN -0.013 8.167 8.180 -0.000 0.000 0.597 126 K N 0.313 120.819 120.400 0.176 0.000 2.362 126 K HA -0.047 4.275 4.320 0.003 0.000 0.200 126 K C 1.010 177.651 176.600 0.067 0.000 1.046 126 K CA 0.567 56.918 56.287 0.106 0.000 0.952 126 K CB -0.081 32.451 32.500 0.053 0.000 0.753 126 K HN 0.121 8.371 8.250 -0.000 0.000 0.466 127 R N 1.092 121.612 120.500 0.033 0.000 2.726 127 R HA 0.053 4.395 4.340 0.003 0.000 0.272 127 R C 0.472 176.813 176.300 0.069 0.000 1.097 127 R CA -0.089 56.025 56.100 0.022 0.000 1.198 127 R CB 0.404 30.689 30.300 -0.026 0.000 1.114 127 R HN 0.078 8.348 8.270 -0.000 0.000 0.550 128 S N 0.827 116.560 115.700 0.056 0.000 2.568 128 S HA 0.030 4.502 4.470 0.003 0.000 0.282 128 S C -1.777 172.882 174.600 0.099 0.000 1.338 128 S CA -1.184 57.058 58.200 0.070 0.000 1.045 128 S CB 0.843 64.073 63.200 0.050 0.000 0.873 128 S HN 0.345 8.655 8.310 -0.000 0.000 0.516 129 P HA -0.156 4.264 4.420 -0.000 0.000 0.216 129 P C 1.092 178.472 177.300 0.134 0.000 1.154 129 P CA 1.591 64.779 63.100 0.146 0.000 0.865 129 P CB -0.058 31.722 31.700 0.134 0.000 0.789 130 E N -0.263 119.999 120.200 0.103 0.000 2.058 130 E HA -0.214 4.138 4.350 0.003 0.000 0.194 130 E C 2.102 178.764 176.600 0.104 0.000 0.997 130 E CA 1.350 57.808 56.400 0.098 0.000 0.801 130 E CB -0.820 28.916 29.700 0.062 0.000 0.746 130 E HN 0.440 8.800 8.360 -0.000 0.000 0.450 131 E N 0.493 120.739 120.200 0.077 0.000 2.072 131 E HA -0.142 4.210 4.350 0.003 0.000 0.191 131 E C 1.936 178.583 176.600 0.078 0.000 0.985 131 E CA 0.991 57.435 56.400 0.074 0.000 0.801 131 E CB 0.147 29.872 29.700 0.042 0.000 0.750 131 E HN 0.088 8.448 8.360 -0.000 0.000 0.452 132 V N 1.240 121.191 119.914 0.061 0.000 2.295 132 V HA -0.263 3.859 4.120 0.003 0.000 0.246 132 V C 2.613 178.612 176.094 -0.158 0.000 1.049 132 V CA 2.197 64.489 62.300 -0.014 0.000 1.024 132 V CB -0.659 31.210 31.823 0.076 0.000 0.648 132 V HN 0.302 8.492 8.190 -0.000 0.000 0.447 133 R N -0.581 119.917 120.500 -0.004 0.000 2.094 133 R HA -0.245 4.097 4.340 0.003 0.000 0.239 133 R C 2.305 178.521 176.300 -0.140 0.000 1.137 133 R CA 2.381 58.476 56.100 -0.009 0.000 0.943 133 R CB -0.530 29.906 30.300 0.226 0.000 0.850 133 R HN 0.469 8.739 8.270 -0.000 0.000 0.433 134 F N 1.280 121.165 119.950 -0.108 0.000 2.065 134 F HA -0.237 4.293 4.527 0.004 0.000 0.298 134 F C 1.881 177.594 175.800 -0.146 0.000 1.112 134 F CA 1.777 59.719 58.000 -0.095 0.000 1.212 134 F CB -0.359 38.588 39.000 -0.088 0.000 0.975 134 F HN 0.023 8.323 8.300 -0.000 0.000 0.476 135 L N -0.582 120.537 121.223 -0.173 0.000 2.131 135 L HA -0.256 4.086 4.340 0.003 0.000 0.210 135 L C 2.549 179.122 176.870 -0.495 0.000 1.092 135 L CA 0.821 55.502 54.840 -0.266 0.000 0.759 135 L CB -0.591 41.400 42.059 -0.113 0.000 0.903 135 L HN 0.253 8.483 8.230 -0.000 0.000 0.435 136 M N -0.480 118.639 119.600 -0.802 0.000 2.067 136 M HA -0.106 4.376 4.480 0.003 0.000 0.260 136 M C 2.421 178.300 176.300 -0.701 0.000 1.069 136 M CA 2.015 56.670 55.300 -1.074 0.000 1.117 136 M CB -1.702 29.561 32.600 -2.228 0.000 1.334 136 M HN 0.300 8.590 8.290 -0.000 0.000 0.407 137 G N -0.915 107.508 108.800 -0.628 0.000 2.422 137 G HA2 -0.243 3.719 3.960 0.003 0.000 0.218 137 G HA3 -0.243 3.719 3.960 0.003 0.000 0.218 137 G C 1.436 176.227 174.900 -0.182 0.000 1.146 137 G CA 0.362 45.344 45.100 -0.197 0.000 0.769 137 G HN 0.342 8.632 8.290 -0.000 0.000 0.547 138 F N 2.003 121.632 119.950 -0.535 0.000 2.113 138 F HA 0.007 4.537 4.527 0.004 0.000 0.297 138 F C 2.432 178.101 175.800 -0.218 0.000 1.103 138 F CA 1.295 59.012 58.000 -0.470 0.000 1.248 138 F CB -0.332 38.161 39.000 -0.845 0.000 0.999 138 F HN 0.062 8.362 8.300 -0.000 0.000 0.475 139 N N 0.504 119.052 118.700 -0.253 0.000 2.120 139 N HA -0.229 4.513 4.740 0.003 0.000 0.188 139 N C 2.208 177.597 175.510 -0.202 0.000 1.024 139 N CA 1.280 54.215 53.050 -0.192 0.000 0.852 139 N CB -0.483 37.967 38.487 -0.063 0.000 1.003 139 N HN 0.336 8.716 8.380 -0.000 0.000 0.424 140 R N 1.251 121.646 120.500 -0.176 0.000 2.096 140 R HA -0.163 4.180 4.340 0.003 0.000 0.240 140 R C 0.980 177.187 176.300 -0.156 0.000 1.139 140 R CA 1.873 57.897 56.100 -0.126 0.000 0.952 140 R CB -0.108 30.168 30.300 -0.041 0.000 0.854 140 R HN 0.110 8.380 8.270 -0.000 0.000 0.436 141 D N -0.126 120.165 120.400 -0.182 0.000 2.117 141 D HA -0.097 4.545 4.640 0.003 0.000 0.198 141 D C 2.018 178.163 176.300 -0.257 0.000 0.982 141 D CA 1.068 54.967 54.000 -0.169 0.000 0.828 141 D CB -0.196 40.546 40.800 -0.097 0.000 0.967 141 D HN 0.088 8.458 8.370 -0.000 0.000 0.464 142 V N 0.705 120.369 119.914 -0.416 0.000 2.332 142 V HA -0.223 3.899 4.120 0.003 0.000 0.248 142 V C 2.619 178.528 176.094 -0.308 0.000 1.055 142 V CA 1.113 63.170 62.300 -0.406 0.000 1.038 142 V CB -0.457 31.068 31.823 -0.496 0.000 0.651 142 V HN 0.065 8.255 8.190 -0.000 0.000 0.450 143 V N 0.195 119.919 119.914 -0.317 0.000 2.295 143 V HA -0.282 3.840 4.120 0.003 0.000 0.246 143 V C 2.588 178.555 176.094 -0.213 0.000 1.049 143 V CA 2.432 64.551 62.300 -0.301 0.000 1.024 143 V CB -0.817 30.833 31.823 -0.288 0.000 0.648 143 V HN 0.534 8.724 8.190 -0.000 0.000 0.447 144 R N 0.825 121.222 120.500 -0.173 0.000 2.091 144 R HA -0.186 4.156 4.340 0.003 0.000 0.238 144 R C 2.410 178.629 176.300 -0.135 0.000 1.136 144 R CA 2.074 58.095 56.100 -0.131 0.000 0.959 144 R CB -0.597 29.642 30.300 -0.101 0.000 0.856 144 R HN 0.495 8.765 8.270 -0.000 0.000 0.437 145 R N -0.685 119.723 120.500 -0.154 0.000 2.115 145 R HA -0.006 4.337 4.340 0.003 0.000 0.226 145 R C 1.013 177.216 176.300 -0.161 0.000 1.100 145 R CA 1.129 57.142 56.100 -0.146 0.000 0.980 145 R CB 0.148 30.351 30.300 -0.162 0.000 0.875 145 R HN 0.106 8.376 8.270 -0.000 0.000 0.445 146 R N 0.233 120.619 120.500 -0.191 0.000 2.373 146 R HA 0.071 4.414 4.340 0.003 0.000 0.221 146 R C 1.948 178.109 176.300 -0.233 0.000 0.893 146 R CA 0.395 56.362 56.100 -0.222 0.000 1.049 146 R CB -0.014 30.159 30.300 -0.211 0.000 1.119 146 R HN 0.388 8.658 8.270 -0.000 0.000 0.535 147 R N 0.721 121.103 120.500 -0.198 0.000 2.120 147 R HA -0.032 4.310 4.340 0.003 0.000 0.234 147 R C 0.647 176.847 176.300 -0.167 0.000 1.123 147 R CA 1.429 57.424 56.100 -0.176 0.000 0.975 147 R CB -0.248 29.964 30.300 -0.145 0.000 0.866 147 R HN 0.003 8.273 8.270 -0.000 0.000 0.446 148 D N 0.838 121.139 120.400 -0.164 0.000 2.097 148 D HA -0.092 4.550 4.640 0.003 0.000 0.197 148 D C 1.698 177.881 176.300 -0.195 0.000 0.984 148 D CA 1.797 55.708 54.000 -0.148 0.000 0.826 148 D CB -0.243 40.484 40.800 -0.121 0.000 0.973 148 D HN 0.242 8.612 8.370 -0.000 0.000 0.460 149 T N 1.712 116.088 114.554 -0.296 0.000 2.684 149 T HA -0.102 4.250 4.350 0.003 0.000 0.267 149 T C 2.262 176.734 174.700 -0.380 0.000 1.036 149 T CA 0.621 62.439 62.100 -0.470 0.000 1.148 149 T CB -0.282 68.036 68.868 -0.916 0.000 0.863 149 T HN 0.104 8.344 8.240 -0.000 0.000 0.436 150 L N 0.664 121.701 121.223 -0.310 0.000 2.046 150 L HA -0.112 4.230 4.340 0.003 0.000 0.208 150 L C 2.709 179.487 176.870 -0.154 0.000 1.077 150 L CA 1.415 56.125 54.840 -0.216 0.000 0.747 150 L CB -0.509 41.440 42.059 -0.183 0.000 0.896 150 L HN 0.232 8.462 8.230 -0.000 0.000 0.432 151 K N 0.869 121.185 120.400 -0.140 0.000 2.009 151 K HA -0.223 4.099 4.320 0.003 0.000 0.210 151 K C 2.121 178.669 176.600 -0.087 0.000 1.049 151 K CA 1.592 57.819 56.287 -0.101 0.000 0.929 151 K CB 0.013 32.460 32.500 -0.089 0.000 0.714 151 K HN 0.183 8.433 8.250 -0.000 0.000 0.440 152 K N 0.442 120.784 120.400 -0.096 0.000 2.209 152 K HA -0.090 4.232 4.320 0.003 0.000 0.204 152 K C 1.856 178.428 176.600 -0.046 0.000 1.048 152 K CA 1.023 57.272 56.287 -0.064 0.000 0.940 152 K CB -0.028 32.434 32.500 -0.062 0.000 0.729 152 K HN 0.236 8.486 8.250 -0.000 0.000 0.451 153 L N -0.307 120.874 121.223 -0.070 0.000 2.599 153 L HA 0.065 4.407 4.340 0.003 0.000 0.230 153 L C 1.028 177.874 176.870 -0.039 0.000 1.141 153 L CA 0.349 55.167 54.840 -0.037 0.000 0.877 153 L CB -0.088 41.944 42.059 -0.045 0.000 1.009 153 L HN 0.423 8.653 8.230 -0.000 0.000 0.447 154 G N 0.260 109.028 108.800 -0.054 0.000 2.136 154 G HA2 -0.240 3.722 3.960 0.003 0.000 0.242 154 G HA3 -0.240 3.722 3.960 0.003 0.000 0.242 154 G C 0.161 175.013 174.900 -0.080 0.000 0.989 154 G CA -0.006 45.059 45.100 -0.059 0.000 0.682 154 G HN 0.105 8.395 8.290 -0.000 0.000 0.522 155 V N 0.914 120.776 119.914 -0.086 0.000 2.488 155 V HA 0.399 4.521 4.120 0.003 0.000 0.277 155 V C 1.082 177.113 176.094 -0.105 0.000 1.046 155 V CA -0.150 62.090 62.300 -0.100 0.000 0.986 155 V CB 1.408 33.176 31.823 -0.092 0.000 0.989 155 V HN 0.460 8.650 8.190 -0.000 0.000 0.475 156 R N 5.251 125.674 120.500 -0.130 0.000 2.198 156 R HA 0.620 4.962 4.340 0.003 0.000 0.339 156 R C -0.922 175.319 176.300 -0.098 0.000 1.020 156 R CA -0.379 55.650 56.100 -0.118 0.000 0.864 156 R CB 0.796 31.003 30.300 -0.154 0.000 1.105 156 R HN 0.786 9.056 8.270 -0.000 0.000 0.463 157 I N 4.677 125.213 120.570 -0.056 0.000 2.646 157 I HA 0.584 4.756 4.170 0.003 0.000 0.299 157 I C -1.155 174.981 176.117 0.032 0.000 1.036 157 I CA -0.855 60.438 61.300 -0.012 0.000 1.074 157 I CB 1.206 39.184 38.000 -0.037 0.000 1.258 157 I HN 0.764 8.974 8.210 -0.000 0.000 0.430 158 R N 4.703 125.265 120.500 0.104 0.000 2.712 158 R HA 0.159 4.501 4.340 0.003 0.000 0.272 158 R C -2.253 174.219 176.300 0.287 0.000 1.032 158 R CA -0.777 55.424 56.100 0.168 0.000 0.874 158 R CB 0.195 30.574 30.300 0.132 0.000 1.256 158 R HN 0.706 8.976 8.270 -0.000 0.000 0.468 159 W N 2.540 123.916 121.300 0.127 0.000 2.238 159 W HA 0.493 5.155 4.660 0.003 0.000 0.321 159 W C -1.043 175.581 176.519 0.174 0.000 1.293 159 W CA -0.174 57.275 57.345 0.173 0.000 1.204 159 W CB 0.747 30.294 29.460 0.146 0.000 1.167 159 W HN 0.315 8.495 8.180 -0.000 0.000 0.553 160 V N 7.389 127.150 119.914 -0.254 0.000 2.531 160 V HA 0.951 5.073 4.120 0.003 0.000 0.301 160 V C 0.396 176.186 176.094 -0.508 0.000 1.034 160 V CA -0.126 61.910 62.300 -0.439 0.000 0.865 160 V CB 0.639 32.427 31.823 -0.057 0.000 0.995 160 V HN 0.992 9.182 8.190 -0.000 0.000 0.424 161 G N 3.102 111.432 108.800 -0.782 0.000 2.323 161 G HA2 0.535 4.497 3.960 0.003 0.000 0.291 161 G HA3 0.535 4.497 3.960 0.003 0.000 0.291 161 G C -0.916 173.875 174.900 -0.182 0.000 1.278 161 G CA 0.035 45.033 45.100 -0.171 0.000 0.860 161 G HN 1.101 9.391 8.290 -0.000 0.000 0.504 162 S N -1.150 114.710 115.700 0.265 0.000 2.568 162 S HA 0.659 5.131 4.470 0.003 0.000 0.302 162 S C 0.859 175.759 174.600 0.500 0.000 1.082 162 S CA -0.603 57.763 58.200 0.276 0.000 1.009 162 S CB 2.604 65.891 63.200 0.145 0.000 1.069 162 S HN 0.739 9.049 8.310 -0.000 0.000 0.500 163 R N 0.213 120.944 120.500 0.386 0.000 2.066 163 R HA 0.145 4.487 4.340 0.003 0.000 0.224 163 R C -1.711 174.706 176.300 0.195 0.000 1.122 163 R CA 0.257 56.553 56.100 0.326 0.000 0.974 163 R CB -1.616 28.833 30.300 0.247 0.000 0.871 163 R HN 0.486 8.756 8.270 -0.000 0.000 0.435 164 P HA -0.003 4.417 4.420 -0.000 0.000 0.264 164 P C -0.126 177.156 177.300 -0.031 0.000 1.193 164 P CA 0.506 63.624 63.100 0.031 0.000 0.763 164 P CB 0.628 32.326 31.700 -0.003 0.000 0.810 165 R N -0.999 119.437 120.500 -0.106 0.000 3.789 165 R HA -0.203 4.139 4.340 0.003 0.000 0.414 165 R C 0.396 176.770 176.300 0.123 0.000 0.593 165 R CA 0.745 56.688 56.100 -0.262 0.000 1.562 165 R CB -2.325 27.341 30.300 -1.058 0.000 2.091 165 R HN 0.429 8.699 8.270 -0.000 0.000 0.382 166 L N 2.269 123.666 121.223 0.290 0.000 2.499 166 L HA 0.103 4.445 4.340 0.003 0.000 0.273 166 L C 0.012 177.080 176.870 0.330 0.000 1.195 166 L CA -0.028 55.038 54.840 0.377 0.000 0.882 166 L CB 0.062 42.283 42.059 0.270 0.000 1.133 166 L HN 0.060 8.290 8.230 -0.000 0.000 0.483 167 W N 6.047 127.364 121.300 0.028 0.000 2.264 167 W HA 0.154 4.816 4.660 0.003 0.000 0.331 167 W C 1.572 178.032 176.519 -0.098 0.000 1.364 167 W CA -0.283 57.042 57.345 -0.032 0.000 1.253 167 W CB -0.088 29.342 29.460 -0.050 0.000 1.215 167 W HN 0.663 8.843 8.180 -0.000 0.000 0.561 168 R N 1.548 122.089 120.500 0.068 0.000 2.105 168 R HA -0.209 4.133 4.340 0.003 0.000 0.239 168 R C 2.393 178.675 176.300 -0.029 0.000 1.135 168 R CA 1.996 58.081 56.100 -0.025 0.000 0.967 168 R CB -0.555 29.715 30.300 -0.051 0.000 0.861 168 R HN 0.597 8.867 8.270 -0.000 0.000 0.442 169 S N 0.388 116.102 115.700 0.023 0.000 2.387 169 S HA -0.146 4.326 4.470 0.003 0.000 0.230 169 S C 2.107 176.703 174.600 -0.007 0.000 1.035 169 S CA 1.598 59.812 58.200 0.024 0.000 1.014 169 S CB -0.639 62.613 63.200 0.086 0.000 0.836 169 S HN 0.089 8.399 8.310 -0.000 0.000 0.466 170 V N 2.119 122.033 119.914 0.000 0.000 2.307 170 V HA -0.076 4.046 4.120 0.003 0.000 0.245 170 V C 2.467 178.429 176.094 -0.220 0.000 1.045 170 V CA 1.753 63.992 62.300 -0.101 0.000 1.024 170 V CB -0.764 30.985 31.823 -0.124 0.000 0.651 170 V HN 0.479 8.669 8.190 -0.000 0.000 0.449 171 I N 0.636 121.011 120.570 -0.326 0.000 2.226 171 I HA -0.216 3.956 4.170 0.003 0.000 0.245 171 I C 2.359 178.333 176.117 -0.238 0.000 1.100 171 I CA 1.410 62.411 61.300 -0.498 0.000 1.374 171 I CB -0.532 37.129 38.000 -0.564 0.000 1.057 171 I HN 0.347 8.557 8.210 -0.000 0.000 0.413 172 N N 0.720 119.332 118.700 -0.148 0.000 2.084 172 N HA -0.165 4.577 4.740 0.003 0.000 0.190 172 N C 1.775 177.242 175.510 -0.072 0.000 1.030 172 N CA 1.179 54.178 53.050 -0.085 0.000 0.849 172 N CB -0.347 38.102 38.487 -0.062 0.000 1.012 172 N HN 0.310 8.690 8.380 -0.000 0.000 0.423 173 E N 0.759 120.911 120.200 -0.081 0.000 2.110 173 E HA -0.091 4.261 4.350 0.003 0.000 0.193 173 E C 2.204 178.756 176.600 -0.079 0.000 0.988 173 E CA 0.472 56.824 56.400 -0.081 0.000 0.804 173 E CB -0.354 29.290 29.700 -0.094 0.000 0.745 173 E HN 0.389 8.749 8.360 -0.000 0.000 0.458 174 L N 0.439 121.615 121.223 -0.078 0.000 2.141 174 L HA -0.108 4.234 4.340 0.003 0.000 0.209 174 L C 2.485 179.367 176.870 0.021 0.000 1.094 174 L CA 0.901 55.729 54.840 -0.021 0.000 0.763 174 L CB -0.386 41.701 42.059 0.045 0.000 0.908 174 L HN 0.056 8.286 8.230 -0.000 0.000 0.437 175 A N -0.442 122.380 122.820 0.004 0.000 1.902 175 A HA -0.140 4.182 4.320 0.003 0.000 0.217 175 A C 2.306 179.895 177.584 0.008 0.000 1.181 175 A CA 1.662 53.716 52.037 0.028 0.000 0.623 175 A CB -0.718 18.291 19.000 0.014 0.000 0.818 175 A HN 0.183 8.333 8.150 -0.000 0.000 0.443 176 V N -0.059 119.844 119.914 -0.017 0.000 2.261 176 V HA -0.253 3.869 4.120 0.003 0.000 0.246 176 V C 3.082 179.157 176.094 -0.031 0.000 1.047 176 V CA 1.951 64.235 62.300 -0.026 0.000 1.015 176 V CB -1.364 30.435 31.823 -0.040 0.000 0.642 176 V HN 0.613 8.803 8.190 -0.000 0.000 0.446 177 A N -0.359 122.436 122.820 -0.042 0.000 1.917 177 A HA -0.330 3.992 4.320 0.003 0.000 0.219 177 A C 2.304 179.870 177.584 -0.029 0.000 1.182 177 A CA 2.338 54.343 52.037 -0.053 0.000 0.633 177 A CB -0.594 18.360 19.000 -0.076 0.000 0.819 177 A HN 0.664 8.814 8.150 -0.000 0.000 0.448 178 E N -0.619 119.583 120.200 0.002 0.000 2.051 178 E HA -0.267 4.085 4.350 0.003 0.000 0.192 178 E C 2.017 178.620 176.600 0.005 0.000 0.991 178 E CA 1.487 57.899 56.400 0.020 0.000 0.799 178 E CB -0.150 29.589 29.700 0.064 0.000 0.748 178 E HN 0.592 8.952 8.360 -0.000 0.000 0.449 179 E N 0.497 120.700 120.200 0.004 0.000 2.077 179 E HA -0.182 4.170 4.350 0.003 0.000 0.193 179 E C 2.023 178.614 176.600 -0.015 0.000 0.989 179 E CA 1.593 57.992 56.400 -0.002 0.000 0.800 179 E CB -0.187 29.511 29.700 -0.002 0.000 0.746 179 E HN 0.333 8.693 8.360 -0.000 0.000 0.452 180 M N -0.435 119.151 119.600 -0.025 0.000 2.213 180 M HA -0.090 4.392 4.480 0.003 0.000 0.263 180 M C 1.546 177.822 176.300 -0.039 0.000 1.062 180 M CA 1.962 57.241 55.300 -0.035 0.000 1.105 180 M CB -0.048 32.523 32.600 -0.047 0.000 1.385 180 M HN 0.250 8.540 8.290 -0.000 0.000 0.417 181 T N -2.993 111.537 114.554 -0.040 0.000 3.085 181 T HA 0.172 4.524 4.350 0.003 0.000 0.264 181 T C 1.202 175.874 174.700 -0.046 0.000 1.019 181 T CA -0.467 61.602 62.100 -0.050 0.000 0.910 181 T CB -0.143 68.688 68.868 -0.062 0.000 1.059 181 T HN 0.428 8.668 8.240 -0.000 0.000 0.542 182 K N 2.057 122.439 120.400 -0.031 0.000 2.209 182 K HA -0.067 4.255 4.320 0.003 0.000 0.204 182 K C 1.859 178.440 176.600 -0.032 0.000 1.048 182 K CA 1.718 57.990 56.287 -0.025 0.000 0.940 182 K CB -0.409 32.084 32.500 -0.010 0.000 0.729 182 K HN 0.436 8.686 8.250 -0.000 0.000 0.451 183 S N -0.231 115.449 115.700 -0.033 0.000 2.572 183 S HA 0.166 4.638 4.470 0.003 0.000 0.228 183 S C -0.034 174.539 174.600 -0.045 0.000 0.963 183 S CA -0.861 57.319 58.200 -0.033 0.000 0.939 183 S CB -0.221 62.965 63.200 -0.023 0.000 0.804 183 S HN 0.124 8.434 8.310 -0.000 0.000 0.480 184 N N 3.550 122.215 118.700 -0.059 0.000 2.503 184 N HA 0.299 5.041 4.740 0.003 0.000 0.267 184 N C -0.017 175.435 175.510 -0.096 0.000 1.214 184 N CA 0.178 53.185 53.050 -0.071 0.000 0.959 184 N CB 1.075 39.515 38.487 -0.079 0.000 1.142 184 N HN 0.533 8.913 8.380 -0.000 0.000 0.455 185 D N -1.076 119.266 120.400 -0.097 0.000 2.567 185 D HA 0.047 4.689 4.640 0.003 0.000 0.268 185 D C 0.611 176.836 176.300 -0.125 0.000 1.448 185 D CA -0.090 53.838 54.000 -0.120 0.000 0.811 185 D CB -0.614 40.136 40.800 -0.083 0.000 1.192 185 D HN 0.161 8.531 8.370 -0.000 0.000 0.488 186 V N 0.611 120.458 119.914 -0.111 0.000 2.379 186 V HA 0.173 4.295 4.120 0.003 0.000 0.245 186 V C 1.315 177.329 176.094 -0.133 0.000 1.044 186 V CA 1.172 63.415 62.300 -0.096 0.000 1.036 186 V CB -0.130 31.654 31.823 -0.065 0.000 0.664 186 V HN 0.446 8.636 8.190 -0.000 0.000 0.453 187 I N -1.636 118.827 120.570 -0.178 0.000 2.842 187 I HA 0.340 4.512 4.170 0.003 0.000 0.297 187 I C -1.147 174.775 176.117 -0.325 0.000 1.380 187 I CA -0.225 60.931 61.300 -0.240 0.000 1.018 187 I CB 2.484 40.408 38.000 -0.126 0.000 1.311 187 I HN -0.034 8.176 8.210 -0.000 0.000 0.439 188 T N 7.185 121.424 114.554 -0.524 0.000 2.794 188 T HA 0.592 4.944 4.350 0.003 0.000 0.280 188 T C -0.383 174.166 174.700 -0.253 0.000 0.987 188 T CA -0.259 61.531 62.100 -0.517 0.000 0.993 188 T CB 0.982 69.212 68.868 -1.065 0.000 0.939 188 T HN 0.265 8.505 8.240 -0.000 0.000 0.449 189 I N 3.866 124.378 120.570 -0.098 0.000 2.355 189 I HA 0.296 4.468 4.170 0.003 0.000 0.288 189 I C -0.143 176.038 176.117 0.106 0.000 0.999 189 I CA -0.956 60.367 61.300 0.038 0.000 1.163 189 I CB 1.171 39.217 38.000 0.076 0.000 1.316 189 I HN 0.459 8.669 8.210 -0.000 0.000 0.454 190 N N 6.228 125.017 118.700 0.148 0.000 2.406 190 N HA 0.106 4.848 4.740 0.003 0.000 0.251 190 N C -0.971 174.663 175.510 0.207 0.000 1.069 190 N CA -0.190 52.959 53.050 0.166 0.000 0.947 190 N CB 0.870 39.433 38.487 0.126 0.000 1.111 190 N HN 0.451 8.831 8.380 -0.000 0.000 0.497 191 Y N 2.337 122.714 120.300 0.128 0.000 2.518 191 Y HA 0.217 4.769 4.550 0.003 0.000 0.344 191 Y C -0.255 175.783 175.900 0.231 0.000 0.982 191 Y CA -0.870 57.322 58.100 0.154 0.000 1.234 191 Y CB 0.446 38.989 38.460 0.138 0.000 1.114 191 Y HN 0.440 8.720 8.280 -0.000 0.000 0.515 192 C N 6.366 125.649 119.300 -0.028 0.000 2.225 192 C HA 0.647 5.109 4.460 0.003 0.000 0.328 192 C C -0.380 174.754 174.990 0.239 0.000 1.187 192 C CA -1.063 58.051 59.018 0.160 0.000 1.665 192 C CB -1.189 26.633 27.740 0.136 0.000 2.253 192 C HN 0.566 8.796 8.230 -0.000 0.000 0.497 193 V N 3.786 123.982 119.914 0.470 0.000 2.577 193 V HA 0.490 4.612 4.120 0.003 0.000 0.303 193 V C 0.210 176.684 176.094 0.632 0.000 1.042 193 V CA -0.535 62.049 62.300 0.472 0.000 0.872 193 V CB 1.597 33.649 31.823 0.382 0.000 0.998 193 V HN 0.859 9.049 8.190 -0.000 0.000 0.423 194 N N 2.416 121.478 118.700 0.604 0.000 2.725 194 N HA -0.266 4.476 4.740 0.003 0.000 0.251 194 N C -0.865 174.968 175.510 0.537 0.000 1.031 194 N CA 0.730 54.171 53.050 0.653 0.000 0.720 194 N CB -1.063 37.823 38.487 0.664 0.000 0.930 194 N HN 0.847 9.227 8.380 -0.000 0.000 0.543 195 Y N -0.212 120.344 120.300 0.427 0.000 2.323 195 Y HA 0.612 5.164 4.550 0.003 0.000 0.331 195 Y C 0.732 176.861 175.900 0.381 0.000 1.092 195 Y CA 0.136 58.450 58.100 0.356 0.000 1.150 195 Y CB 1.307 39.984 38.460 0.361 0.000 1.200 195 Y HN 0.192 8.472 8.280 -0.000 0.000 0.472 196 G N 2.925 111.386 108.800 -0.565 0.000 2.739 196 G HA2 0.406 4.368 3.960 0.003 0.000 0.292 196 G HA3 0.406 4.368 3.960 0.003 0.000 0.292 196 G C 0.377 174.966 174.900 -0.518 0.000 1.444 196 G CA -0.256 44.698 45.100 -0.243 0.000 1.144 196 G HN 1.031 9.321 8.290 -0.000 0.000 0.550 197 G N 1.335 110.046 108.800 -0.148 0.000 2.446 197 G HA2 -0.197 3.765 3.960 0.003 0.000 0.217 197 G HA3 -0.197 3.765 3.960 0.003 0.000 0.217 197 G C 1.668 176.561 174.900 -0.012 0.000 1.168 197 G CA 0.771 45.868 45.100 -0.005 0.000 0.771 197 G HN 0.614 8.904 8.290 -0.000 0.000 0.551 198 R N -0.379 120.133 120.500 0.020 0.000 2.091 198 R HA -0.059 4.283 4.340 0.003 0.000 0.238 198 R C 2.843 179.133 176.300 -0.017 0.000 1.136 198 R CA 1.728 57.841 56.100 0.022 0.000 0.959 198 R CB -0.605 29.718 30.300 0.038 0.000 0.856 198 R HN 0.304 8.574 8.270 -0.000 0.000 0.437 199 T N 0.453 114.976 114.554 -0.052 0.000 2.821 199 T HA -0.160 4.192 4.350 0.003 0.000 0.267 199 T C 1.648 176.294 174.700 -0.091 0.000 1.046 199 T CA 1.310 63.376 62.100 -0.057 0.000 1.139 199 T CB -0.081 68.761 68.868 -0.044 0.000 0.871 199 T HN 0.409 8.649 8.240 -0.000 0.000 0.454 200 E N 0.657 120.760 120.200 -0.163 0.000 2.077 200 E HA -0.114 4.238 4.350 0.003 0.000 0.193 200 E C 2.075 178.611 176.600 -0.107 0.000 0.989 200 E CA 1.004 57.311 56.400 -0.155 0.000 0.800 200 E CB -0.236 29.341 29.700 -0.206 0.000 0.746 200 E HN 0.488 8.848 8.360 -0.000 0.000 0.452 201 I N 0.656 121.180 120.570 -0.077 0.000 2.252 201 I HA -0.233 3.939 4.170 0.003 0.000 0.245 201 I C 2.390 178.460 176.117 -0.078 0.000 1.102 201 I CA 1.353 62.603 61.300 -0.083 0.000 1.385 201 I CB -0.281 37.724 38.000 0.009 0.000 1.064 201 I HN 0.160 8.370 8.210 -0.000 0.000 0.414 202 T N 0.079 114.604 114.554 -0.049 0.000 2.746 202 T HA -0.187 4.165 4.350 0.003 0.000 0.267 202 T C 1.734 176.405 174.700 -0.049 0.000 1.039 202 T CA 1.390 63.466 62.100 -0.040 0.000 1.142 202 T CB -0.255 68.600 68.868 -0.022 0.000 0.866 202 T HN 0.408 8.648 8.240 -0.000 0.000 0.444 203 E N 0.988 121.156 120.200 -0.053 0.000 2.110 203 E HA -0.032 4.320 4.350 0.003 0.000 0.193 203 E C 2.556 179.123 176.600 -0.055 0.000 0.988 203 E CA 0.887 57.261 56.400 -0.044 0.000 0.804 203 E CB -0.219 29.457 29.700 -0.039 0.000 0.745 203 E HN 0.477 8.837 8.360 -0.000 0.000 0.458 204 A N 0.819 123.590 122.820 -0.082 0.000 1.902 204 A HA -0.198 4.124 4.320 0.003 0.000 0.217 204 A C 2.369 179.878 177.584 -0.125 0.000 1.181 204 A CA 1.935 53.915 52.037 -0.095 0.000 0.623 204 A CB -0.907 17.992 19.000 -0.168 0.000 0.818 204 A HN 0.183 8.333 8.150 -0.000 0.000 0.443 205 T N -0.474 114.009 114.554 -0.117 0.000 2.746 205 T HA -0.143 4.209 4.350 0.003 0.000 0.267 205 T C 2.070 176.709 174.700 -0.102 0.000 1.039 205 T CA 1.652 63.685 62.100 -0.112 0.000 1.142 205 T CB -0.223 68.600 68.868 -0.075 0.000 0.866 205 T HN 0.514 8.754 8.240 -0.000 0.000 0.444 206 R N 0.794 121.250 120.500 -0.072 0.000 2.083 206 R HA -0.070 4.272 4.340 0.003 0.000 0.237 206 R C 2.676 178.938 176.300 -0.063 0.000 1.137 206 R CA 1.206 57.273 56.100 -0.054 0.000 0.951 206 R CB -0.139 30.142 30.300 -0.032 0.000 0.851 206 R HN 0.335 8.605 8.270 -0.000 0.000 0.434 207 E N 0.626 120.788 120.200 -0.063 0.000 2.058 207 E HA -0.210 4.142 4.350 0.003 0.000 0.194 207 E C 2.087 178.592 176.600 -0.157 0.000 0.997 207 E CA 1.287 57.660 56.400 -0.045 0.000 0.801 207 E CB -0.247 29.488 29.700 0.058 0.000 0.746 207 E HN 0.391 8.751 8.360 -0.000 0.000 0.450 208 I N 1.163 121.536 120.570 -0.328 0.000 2.208 208 I HA -0.274 3.898 4.170 0.003 0.000 0.245 208 I C 2.492 178.494 176.117 -0.192 0.000 1.097 208 I CA 1.185 62.239 61.300 -0.411 0.000 1.363 208 I CB -0.329 37.429 38.000 -0.404 0.000 1.051 208 I HN 0.008 8.218 8.210 -0.000 0.000 0.413 209 A N 0.741 123.483 122.820 -0.130 0.000 1.933 209 A HA -0.191 4.131 4.320 0.003 0.000 0.218 209 A C 2.376 179.927 177.584 -0.056 0.000 1.175 209 A CA 1.433 53.424 52.037 -0.077 0.000 0.628 209 A CB -0.506 18.459 19.000 -0.058 0.000 0.814 209 A HN 0.331 8.481 8.150 -0.000 0.000 0.444 210 R N -0.552 119.918 120.500 -0.051 0.000 2.075 210 R HA -0.071 4.271 4.340 0.003 0.000 0.232 210 R C 2.028 178.316 176.300 -0.021 0.000 1.126 210 R CA 1.169 57.253 56.100 -0.027 0.000 0.963 210 R CB -0.246 30.046 30.300 -0.013 0.000 0.858 210 R HN 0.444 8.714 8.270 -0.000 0.000 0.435 211 E N 0.512 120.693 120.200 -0.031 0.000 2.085 211 E HA -0.165 4.187 4.350 0.003 0.000 0.194 211 E C 2.140 178.728 176.600 -0.020 0.000 0.994 211 E CA 1.190 57.581 56.400 -0.015 0.000 0.801 211 E CB -0.234 29.453 29.700 -0.021 0.000 0.743 211 E HN 0.132 8.492 8.360 -0.000 0.000 0.453 212 V N 1.364 121.256 119.914 -0.038 0.000 2.358 212 V HA -0.216 3.906 4.120 0.003 0.000 0.246 212 V C 2.416 178.498 176.094 -0.018 0.000 1.047 212 V CA 1.732 64.015 62.300 -0.029 0.000 1.035 212 V CB -0.796 31.004 31.823 -0.038 0.000 0.658 212 V HN 0.253 8.443 8.190 -0.000 0.000 0.452 213 A N -0.023 122.786 122.820 -0.019 0.000 1.969 213 A HA -0.049 4.273 4.320 0.003 0.000 0.218 213 A C 2.310 179.889 177.584 -0.007 0.000 1.169 213 A CA 1.771 53.801 52.037 -0.012 0.000 0.635 213 A CB -0.630 18.362 19.000 -0.013 0.000 0.810 213 A HN 0.575 8.725 8.150 -0.000 0.000 0.445 214 A N -1.685 121.132 122.820 -0.005 0.000 2.168 214 A HA 0.357 4.679 4.320 0.003 0.000 0.215 214 A C 1.880 179.464 177.584 0.000 0.000 1.152 214 A CA 1.376 53.413 52.037 -0.001 0.000 0.716 214 A CB -0.983 18.019 19.000 0.003 0.000 0.794 214 A HN 1.927 10.077 8.150 -0.000 0.000 0.465 215 G N -1.060 107.739 108.800 -0.002 0.000 2.137 215 G HA2 -0.258 3.704 3.960 0.003 0.000 0.237 215 G HA3 -0.258 3.704 3.960 0.003 0.000 0.237 215 G C 0.665 175.566 174.900 0.002 0.000 1.002 215 G CA 0.424 45.523 45.100 -0.001 0.000 0.702 215 G HN 0.555 8.845 8.290 -0.000 0.000 0.515 216 R N -1.183 119.320 120.500 0.004 0.000 2.432 216 R HA 0.467 4.810 4.340 0.003 0.000 0.260 216 R C -0.023 176.285 176.300 0.013 0.000 0.935 216 R CA 0.035 56.142 56.100 0.010 0.000 1.080 216 R CB 0.623 30.933 30.300 0.016 0.000 1.155 216 R HN 0.422 8.692 8.270 -0.000 0.000 0.531 217 L N 0.615 121.840 121.223 0.004 0.000 2.614 217 L HA 0.330 4.672 4.340 0.003 0.000 0.264 217 L C -1.616 175.251 176.870 -0.006 0.000 0.940 217 L CA -0.822 54.019 54.840 0.001 0.000 0.903 217 L CB 1.830 43.884 42.059 -0.009 0.000 1.306 217 L HN -0.159 8.071 8.230 -0.000 0.000 0.410 218 N N 6.148 124.847 118.700 -0.001 0.000 2.411 218 N HA 0.364 5.106 4.740 0.003 0.000 0.259 218 N C -1.980 173.526 175.510 -0.006 0.000 1.103 218 N CA -1.881 51.167 53.050 -0.003 0.000 0.954 218 N CB 1.570 40.058 38.487 0.002 0.000 1.085 218 N HN 0.417 8.797 8.380 -0.000 0.000 0.485 219 P HA -0.143 4.277 4.420 -0.000 0.000 0.217 219 P C 0.570 177.867 177.300 -0.005 0.000 1.148 219 P CA 1.167 64.258 63.100 -0.013 0.000 0.828 219 P CB 0.356 32.048 31.700 -0.013 0.000 0.783 220 E N -0.763 119.436 120.200 -0.000 0.000 2.338 220 E HA -0.100 4.252 4.350 0.003 0.000 0.197 220 E C 1.686 178.291 176.600 0.008 0.000 1.007 220 E CA 0.749 57.152 56.400 0.005 0.000 0.849 220 E CB -0.374 29.329 29.700 0.005 0.000 0.774 220 E HN 0.405 8.765 8.360 -0.000 0.000 0.506 221 R N 0.138 120.643 120.500 0.008 0.000 2.310 221 R HA 0.224 4.566 4.340 0.003 0.000 0.202 221 R C 0.718 177.028 176.300 0.017 0.000 0.933 221 R CA -0.112 55.996 56.100 0.013 0.000 1.054 221 R CB 0.227 30.535 30.300 0.014 0.000 0.985 221 R HN 0.090 8.360 8.270 -0.000 0.000 0.489 222 I N 2.317 122.894 120.570 0.011 0.000 2.598 222 I HA -0.048 4.124 4.170 0.003 0.000 0.284 222 I C 0.921 177.056 176.117 0.031 0.000 1.140 222 I CA 0.535 61.842 61.300 0.011 0.000 1.420 222 I CB 0.694 38.688 38.000 -0.009 0.000 1.387 222 I HN 0.148 8.358 8.210 -0.000 0.000 0.553 223 T N 0.675 115.256 114.554 0.046 0.000 2.742 223 T HA 0.324 4.676 4.350 0.003 0.000 0.282 223 T C 0.751 175.517 174.700 0.110 0.000 1.025 223 T CA -0.815 61.327 62.100 0.070 0.000 1.020 223 T CB 1.484 70.391 68.868 0.065 0.000 1.317 223 T HN 0.562 8.802 8.240 -0.000 0.000 0.538 224 E N 0.564 120.861 120.200 0.161 0.000 2.118 224 E HA -0.152 4.200 4.350 0.003 0.000 0.195 224 E C 2.292 179.052 176.600 0.266 0.000 0.992 224 E CA 1.648 58.228 56.400 0.299 0.000 0.804 224 E CB -0.184 29.696 29.700 0.301 0.000 0.741 224 E HN 0.738 9.098 8.360 -0.000 0.000 0.458 225 S N 0.319 116.116 115.700 0.163 0.000 2.423 225 S HA -0.117 4.355 4.470 0.003 0.000 0.231 225 S C 2.063 176.706 174.600 0.072 0.000 1.014 225 S CA 1.361 59.630 58.200 0.116 0.000 0.965 225 S CB -0.453 62.794 63.200 0.078 0.000 0.785 225 S HN 0.104 8.414 8.310 -0.000 0.000 0.495 226 T N 3.419 118.018 114.554 0.074 0.000 2.708 226 T HA -0.008 4.344 4.350 0.003 0.000 0.266 226 T C 1.722 176.472 174.700 0.084 0.000 1.037 226 T CA 1.440 63.599 62.100 0.099 0.000 1.146 226 T CB -0.398 68.506 68.868 0.060 0.000 0.865 226 T HN 0.299 8.539 8.240 -0.000 0.000 0.435 227 I N 2.128 122.657 120.570 -0.069 0.000 2.127 227 I HA -0.132 4.040 4.170 0.003 0.000 0.241 227 I C 2.994 178.882 176.117 -0.381 0.000 1.075 227 I CA 1.191 62.305 61.300 -0.311 0.000 1.334 227 I CB -1.877 35.706 38.000 -0.696 0.000 1.040 227 I HN 0.204 8.414 8.210 -0.000 0.000 0.405 228 A N 0.892 123.529 122.820 -0.305 0.000 1.917 228 A HA -0.227 4.095 4.320 0.003 0.000 0.219 228 A C 2.457 179.961 177.584 -0.133 0.000 1.182 228 A CA 1.638 53.551 52.037 -0.206 0.000 0.633 228 A CB -0.679 18.367 19.000 0.077 0.000 0.819 228 A HN 0.378 8.528 8.150 -0.000 0.000 0.448 229 R N -1.738 118.712 120.500 -0.083 0.000 2.189 229 R HA -0.099 4.243 4.340 0.003 0.000 0.223 229 R C 1.052 177.196 176.300 -0.260 0.000 1.092 229 R CA 1.450 57.463 56.100 -0.146 0.000 0.989 229 R CB -0.270 29.940 30.300 -0.150 0.000 0.876 229 R HN 0.738 9.008 8.270 -0.000 0.000 0.457 230 H N -0.792 118.196 119.070 -0.136 0.000 2.594 230 H HA 0.221 4.779 4.556 0.005 0.000 0.279 230 H C 0.041 175.279 175.328 -0.150 0.000 1.042 230 H CA -0.299 55.674 56.048 -0.125 0.000 1.177 230 H CB 0.354 30.044 29.762 -0.120 0.000 1.524 230 H HN -0.069 8.211 8.280 -0.000 0.000 0.537 231 L N 0.946 122.103 121.223 -0.110 0.000 2.473 231 L HA -0.024 4.318 4.340 0.003 0.000 0.268 231 L C 2.091 178.910 176.870 -0.086 0.000 1.215 231 L CA 0.305 55.067 54.840 -0.130 0.000 0.823 231 L CB 0.672 42.625 42.059 -0.177 0.000 1.099 231 L HN 0.329 8.559 8.230 -0.000 0.000 0.483 232 Q N 1.134 120.886 119.800 -0.080 0.000 2.077 232 Q HA -0.145 4.197 4.340 0.003 0.000 0.206 232 Q C 0.146 176.107 176.000 -0.065 0.000 0.989 232 Q CA 1.460 57.214 55.803 -0.081 0.000 0.853 232 Q CB 0.296 28.955 28.738 -0.132 0.000 0.907 232 Q HN 0.403 8.673 8.270 -0.000 0.000 0.418 233 R N 0.545 121.012 120.500 -0.055 0.000 2.477 233 R HA 0.230 4.572 4.340 0.003 0.000 0.285 233 R C -2.132 174.146 176.300 -0.037 0.000 1.415 233 R CA -1.750 54.334 56.100 -0.027 0.000 1.446 233 R CB 1.067 31.366 30.300 -0.002 0.000 1.110 233 R HN 0.277 8.547 8.270 -0.000 0.000 0.590 234 P HA -0.107 4.313 4.420 -0.000 0.000 0.230 234 P C 0.424 177.689 177.300 -0.060 0.000 1.158 234 P CA 0.866 63.926 63.100 -0.067 0.000 0.769 234 P CB 0.318 31.967 31.700 -0.084 0.000 0.807 235 D N -0.408 119.972 120.400 -0.033 0.000 2.355 235 D HA -0.051 4.591 4.640 0.003 0.000 0.218 235 D C 0.785 176.948 176.300 -0.229 0.000 1.004 235 D CA -0.113 53.867 54.000 -0.033 0.000 0.880 235 D CB -0.864 40.002 40.800 0.109 0.000 0.911 235 D HN 0.213 8.583 8.370 -0.000 0.000 0.528 236 I N 2.728 123.143 120.570 -0.259 0.000 2.505 236 I HA 0.090 4.262 4.170 0.003 0.000 0.287 236 I C -1.790 174.022 176.117 -0.509 0.000 1.104 236 I CA -1.466 59.511 61.300 -0.538 0.000 1.387 236 I CB 0.454 38.323 38.000 -0.218 0.000 1.404 236 I HN -0.115 8.095 8.210 -0.000 0.000 0.528 237 P HA 0.189 4.609 4.420 -0.000 0.000 0.279 237 P C -0.836 176.381 177.300 -0.138 0.000 1.276 237 P CA -0.595 62.248 63.100 -0.430 0.000 0.801 237 P CB 0.508 31.873 31.700 -0.559 0.000 1.127 238 D N -0.692 119.663 120.400 -0.075 0.000 2.478 238 D HA 0.031 4.673 4.640 0.003 0.000 0.234 238 D C -0.055 176.203 176.300 -0.069 0.000 1.154 238 D CA 0.259 54.235 54.000 -0.041 0.000 0.874 238 D CB 0.141 40.920 40.800 -0.033 0.000 1.198 238 D HN -0.040 8.330 8.370 -0.000 0.000 0.455 239 V N 3.080 122.848 119.914 -0.242 0.000 2.488 239 V HA 0.003 4.125 4.120 0.003 0.000 0.277 239 V C 1.149 177.097 176.094 -0.244 0.000 1.046 239 V CA -0.005 62.004 62.300 -0.486 0.000 0.986 239 V CB 1.273 32.759 31.823 -0.561 0.000 0.989 239 V HN 0.450 8.640 8.190 -0.000 0.000 0.475 240 D N 2.970 123.240 120.400 -0.217 0.000 2.201 240 D HA 0.103 4.745 4.640 0.003 0.000 0.209 240 D C 0.218 176.405 176.300 -0.190 0.000 0.961 240 D CA 0.792 54.708 54.000 -0.139 0.000 0.861 240 D CB 0.618 41.319 40.800 -0.164 0.000 0.997 240 D HN 0.330 8.700 8.370 -0.000 0.000 0.486 241 L N 0.365 121.401 121.223 -0.310 0.000 2.406 241 L HA 0.399 4.741 4.340 0.003 0.000 0.272 241 L C -1.750 175.000 176.870 -0.200 0.000 0.980 241 L CA -0.786 53.888 54.840 -0.277 0.000 0.831 241 L CB 1.774 43.562 42.059 -0.451 0.000 1.253 241 L HN -0.214 8.016 8.230 -0.000 0.000 0.406 242 F N 6.069 125.805 119.950 -0.357 0.000 2.402 242 F HA 0.644 5.173 4.527 0.003 0.000 0.355 242 F C -1.168 174.541 175.800 -0.152 0.000 1.123 242 F CA -0.634 57.176 58.000 -0.317 0.000 1.021 242 F CB 0.903 39.525 39.000 -0.629 0.000 1.160 242 F HN 0.350 8.650 8.300 -0.000 0.000 0.451 243 L N 6.563 127.799 121.223 0.023 0.000 2.325 243 L HA 0.633 4.976 4.340 0.003 0.000 0.278 243 L C -0.497 176.489 176.870 0.194 0.000 1.023 243 L CA -0.930 53.986 54.840 0.126 0.000 0.811 243 L CB 2.078 44.180 42.059 0.071 0.000 1.249 243 L HN 0.602 8.832 8.230 -0.000 0.000 0.431 244 R N 0.776 121.484 120.500 0.347 0.000 2.673 244 R HA 0.567 4.909 4.340 0.003 0.000 0.281 244 R C -0.708 175.760 176.300 0.280 0.000 0.991 244 R CA -0.390 55.909 56.100 0.332 0.000 0.896 244 R CB 2.218 32.847 30.300 0.549 0.000 1.201 244 R HN 0.799 9.069 8.270 -0.000 0.000 0.457 245 T N -0.216 114.436 114.554 0.164 0.000 2.884 245 T HA 0.292 4.644 4.350 0.003 0.000 0.277 245 T C 0.587 175.384 174.700 0.163 0.000 0.976 245 T CA 0.148 62.359 62.100 0.184 0.000 0.956 245 T CB 1.364 70.346 68.868 0.189 0.000 1.113 245 T HN 1.106 9.346 8.240 -0.000 0.000 0.554 246 S N -1.577 114.224 115.700 0.168 0.000 3.084 246 S HA -0.135 4.337 4.470 0.003 0.000 0.277 246 S C 1.686 176.343 174.600 0.095 0.000 1.295 246 S CA 1.325 59.601 58.200 0.127 0.000 1.170 246 S CB -2.356 60.903 63.200 0.098 0.000 1.412 246 S HN 2.901 11.210 8.310 -0.000 0.000 0.669 247 G N -0.098 108.768 108.800 0.111 0.000 2.179 247 G HA2 -0.240 3.722 3.960 0.003 0.000 0.260 247 G HA3 -0.240 3.722 3.960 0.003 0.000 0.260 247 G C -0.305 174.581 174.900 -0.022 0.000 0.977 247 G CA 0.419 45.560 45.100 0.067 0.000 0.641 247 G HN 0.922 9.212 8.290 -0.000 0.000 0.533 248 E N 0.653 120.837 120.200 -0.026 0.000 2.338 248 E HA 0.319 4.671 4.350 0.003 0.000 0.272 248 E C 0.535 176.924 176.600 -0.352 0.000 1.029 248 E CA 0.134 56.463 56.400 -0.119 0.000 0.872 248 E CB 0.636 30.311 29.700 -0.041 0.000 1.015 248 E HN 0.605 8.965 8.360 -0.000 0.000 0.417 249 Q N 3.146 122.612 119.800 -0.557 0.000 2.788 249 Q HA 0.281 4.623 4.340 0.003 0.000 0.285 249 Q C -0.317 175.309 176.000 -0.623 0.000 1.063 249 Q CA -0.276 54.794 55.803 -1.221 0.000 0.958 249 Q CB 0.617 28.717 28.738 -1.063 0.000 1.211 249 Q HN 0.379 8.649 8.270 -0.000 0.000 0.478 250 R N -1.664 118.648 120.500 -0.313 0.000 2.663 250 R HA 0.387 4.729 4.340 0.003 0.000 0.267 250 R C 0.184 176.522 176.300 0.063 0.000 1.038 250 R CA -0.588 55.442 56.100 -0.116 0.000 0.886 250 R CB 0.466 30.724 30.300 -0.070 0.000 1.249 250 R HN 0.179 8.449 8.270 -0.000 0.000 0.463 251 S N -0.198 115.499 115.700 -0.005 0.000 2.486 251 S HA 0.013 4.486 4.470 0.003 0.000 0.220 251 S C 0.266 175.079 174.600 0.356 0.000 1.011 251 S CA 0.313 58.566 58.200 0.087 0.000 0.921 251 S CB -0.135 62.952 63.200 -0.187 0.000 0.785 251 S HN 0.685 8.995 8.310 -0.000 0.000 0.517 252 S N 2.418 118.252 115.700 0.225 0.000 3.550 252 S HA -0.200 4.272 4.470 0.003 0.000 0.372 252 S C 0.463 175.289 174.600 0.377 0.000 0.966 252 S CA 0.762 59.117 58.200 0.259 0.000 1.229 252 S CB -2.300 61.054 63.200 0.257 0.000 0.917 252 S HN 0.851 9.161 8.310 -0.000 0.000 0.496 253 N N -1.401 117.477 118.700 0.298 0.000 2.800 253 N HA -0.205 4.537 4.740 0.003 0.000 0.250 253 N C -0.545 175.227 175.510 0.437 0.000 1.078 253 N CA 1.264 54.500 53.050 0.309 0.000 0.804 253 N CB -1.412 37.240 38.487 0.274 0.000 1.135 253 N HN 0.600 8.980 8.380 -0.000 0.000 0.565 254 F N 1.706 121.770 119.950 0.190 0.000 2.404 254 F HA 0.443 4.972 4.527 0.004 0.000 0.345 254 F C 1.015 176.857 175.800 0.070 0.000 1.110 254 F CA -0.560 57.363 58.000 -0.129 0.000 1.130 254 F CB 0.369 39.108 39.000 -0.436 0.000 1.129 254 F HN 0.127 8.427 8.300 -0.000 0.000 0.500 255 M N 6.547 125.827 119.600 -0.534 0.000 2.206 255 M HA -0.281 4.201 4.480 0.003 0.000 0.197 255 M C 0.818 177.110 176.300 -0.014 0.000 0.375 255 M CA 0.318 55.373 55.300 -0.409 0.000 0.410 255 M CB -2.087 30.038 32.600 -0.791 0.000 1.204 255 M HN 0.785 9.075 8.290 -0.000 0.000 0.932 256 L N 0.541 121.861 121.223 0.162 0.000 1.971 256 L HA -0.157 4.185 4.340 0.003 0.000 0.215 256 L C 2.013 178.957 176.870 0.123 0.000 1.072 256 L CA 2.729 57.655 54.840 0.144 0.000 0.758 256 L CB -0.690 41.471 42.059 0.169 0.000 0.889 256 L HN 0.760 8.990 8.230 -0.000 0.000 0.433 257 W N 0.171 121.469 121.300 -0.004 0.000 2.355 257 W HA -0.271 4.390 4.660 0.002 0.000 0.309 257 W C 2.235 178.726 176.519 -0.046 0.000 1.206 257 W CA 1.899 59.230 57.345 -0.024 0.000 1.284 257 W CB -0.201 29.254 29.460 -0.009 0.000 1.145 257 W HN 0.343 8.523 8.180 -0.000 0.000 0.502 258 Q N 0.293 120.188 119.800 0.158 0.000 2.230 258 Q HA -0.005 4.337 4.340 0.003 0.000 0.202 258 Q C 1.977 177.914 176.000 -0.105 0.000 0.963 258 Q CA 1.823 57.647 55.803 0.034 0.000 0.866 258 Q CB -0.661 28.082 28.738 0.009 0.000 0.931 258 Q HN 0.220 8.490 8.270 -0.000 0.000 0.452 259 A N -0.167 122.581 122.820 -0.120 0.000 2.460 259 A HA 0.521 4.844 4.320 0.003 0.000 0.258 259 A C 1.779 179.261 177.584 -0.170 0.000 1.300 259 A CA 0.471 52.425 52.037 -0.138 0.000 0.913 259 A CB -0.276 18.698 19.000 -0.044 0.000 1.031 259 A HN 0.271 8.421 8.150 -0.000 0.000 0.512 260 A N -0.678 121.988 122.820 -0.257 0.000 1.978 260 A HA -0.108 4.214 4.320 0.003 0.000 0.220 260 A C 1.398 178.631 177.584 -0.586 0.000 1.170 260 A CA 1.483 53.247 52.037 -0.455 0.000 0.636 260 A CB -0.565 18.026 19.000 -0.681 0.000 0.810 260 A HN 0.606 8.756 8.150 -0.000 0.000 0.448 261 Y N -0.890 119.330 120.300 -0.133 0.000 2.636 261 Y HA 0.569 5.121 4.550 0.004 0.000 0.260 261 Y C 1.170 177.011 175.900 -0.098 0.000 1.177 261 Y CA -0.622 57.419 58.100 -0.099 0.000 1.209 261 Y CB -0.390 38.007 38.460 -0.105 0.000 1.166 261 Y HN 0.311 8.591 8.280 -0.000 0.000 0.531 262 A N 0.962 123.739 122.820 -0.071 0.000 2.425 262 A HA 0.148 4.470 4.320 0.003 0.000 0.242 262 A C 0.298 177.772 177.584 -0.183 0.000 1.077 262 A CA -0.353 51.580 52.037 -0.172 0.000 0.781 262 A CB 0.183 18.982 19.000 -0.335 0.000 1.020 262 A HN 0.452 8.602 8.150 -0.000 0.000 0.494 263 E N 0.617 120.760 120.200 -0.094 0.000 2.283 263 E HA 0.401 4.753 4.350 0.003 0.000 0.278 263 E C -1.582 174.893 176.600 -0.208 0.000 1.027 263 E CA -0.247 56.134 56.400 -0.031 0.000 0.843 263 E CB 0.437 30.230 29.700 0.155 0.000 1.062 263 E HN 0.558 8.918 8.360 -0.000 0.000 0.401 264 Y N 3.756 123.995 120.300 -0.101 0.000 2.330 264 Y HA 0.398 4.951 4.550 0.004 0.000 0.336 264 Y C 0.008 175.670 175.900 -0.397 0.000 1.036 264 Y CA -0.553 57.355 58.100 -0.319 0.000 1.125 264 Y CB 1.123 39.246 38.460 -0.561 0.000 1.194 264 Y HN 0.382 8.662 8.280 -0.000 0.000 0.469 265 I N 4.735 125.158 120.570 -0.244 0.000 2.447 265 I HA 0.287 4.459 4.170 0.003 0.000 0.287 265 I C -1.341 174.680 176.117 -0.160 0.000 1.023 265 I CA -0.702 60.503 61.300 -0.159 0.000 1.083 265 I CB 1.183 39.208 38.000 0.042 0.000 1.245 265 I HN 0.366 8.576 8.210 -0.000 0.000 0.434 266 F N 4.472 124.548 119.950 0.209 0.000 2.415 266 F HA 0.485 5.015 4.527 0.004 0.000 0.348 266 F C 0.302 176.204 175.800 0.169 0.000 1.119 266 F CA -0.612 57.501 58.000 0.187 0.000 1.069 266 F CB 1.265 40.350 39.000 0.143 0.000 1.124 266 F HN 0.350 8.650 8.300 -0.000 0.000 0.472 267 Q N 2.125 122.143 119.800 0.363 0.000 2.337 267 Q HA 0.253 4.595 4.340 0.003 0.000 0.266 267 Q C -0.138 176.014 176.000 0.253 0.000 1.023 267 Q CA -0.772 55.205 55.803 0.291 0.000 0.829 267 Q CB 2.269 31.213 28.738 0.343 0.000 1.306 267 Q HN 0.502 8.772 8.270 -0.000 0.000 0.449 268 D N 1.214 121.734 120.400 0.202 0.000 2.183 268 D HA -0.099 4.543 4.640 0.003 0.000 0.203 268 D C 0.219 176.618 176.300 0.166 0.000 0.969 268 D CA 1.049 55.144 54.000 0.159 0.000 0.842 268 D CB 0.284 41.157 40.800 0.122 0.000 0.957 268 D HN 0.430 8.800 8.370 -0.000 0.000 0.484 269 K N 0.987 121.506 120.400 0.198 0.000 2.258 269 K HA 0.146 4.468 4.320 0.003 0.000 0.264 269 K C 0.073 176.814 176.600 0.234 0.000 1.007 269 K CA -0.346 56.062 56.287 0.201 0.000 0.941 269 K CB 1.033 33.647 32.500 0.191 0.000 0.966 269 K HN -0.035 8.215 8.250 -0.000 0.000 0.480 270 L N 2.674 124.029 121.223 0.219 0.000 2.397 270 L HA 0.041 4.383 4.340 0.003 0.000 0.271 270 L C 1.730 178.728 176.870 0.214 0.000 1.148 270 L CA -0.724 54.253 54.840 0.228 0.000 0.825 270 L CB 0.469 42.694 42.059 0.277 0.000 1.117 270 L HN 0.836 9.066 8.230 -0.000 0.000 0.456 271 W N 4.067 125.364 121.300 -0.005 0.000 2.304 271 W HA -0.147 4.515 4.660 0.003 0.000 0.315 271 W C -0.873 175.596 176.519 -0.084 0.000 1.233 271 W CA 1.550 58.861 57.345 -0.057 0.000 1.261 271 W CB -0.880 28.521 29.460 -0.098 0.000 1.150 271 W HN 0.486 8.666 8.180 -0.000 0.000 0.494 272 P HA -0.108 4.312 4.420 -0.000 0.000 0.225 272 P C 0.717 177.739 177.300 -0.464 0.000 1.148 272 P CA 1.727 64.431 63.100 -0.660 0.000 0.779 272 P CB -0.295 30.514 31.700 -1.485 0.000 0.780 273 D N -2.933 117.353 120.400 -0.190 0.000 2.350 273 D HA -0.008 4.634 4.640 0.003 0.000 0.213 273 D C 0.406 176.673 176.300 -0.056 0.000 1.031 273 D CA 0.129 54.120 54.000 -0.015 0.000 0.861 273 D CB -0.219 40.665 40.800 0.140 0.000 0.926 273 D HN 0.208 8.578 8.370 -0.000 0.000 0.520 274 Y N 1.990 122.106 120.300 -0.306 0.000 2.326 274 Y HA 0.232 4.784 4.550 0.003 0.000 0.333 274 Y C 0.248 175.910 175.900 -0.397 0.000 1.240 274 Y CA -0.104 57.786 58.100 -0.349 0.000 1.365 274 Y CB 0.668 38.823 38.460 -0.508 0.000 1.289 274 Y HN -0.077 8.203 8.280 -0.000 0.000 0.548 275 D N 0.749 120.813 120.400 -0.561 0.000 2.643 275 D HA 0.209 4.851 4.640 0.003 0.000 0.283 275 D C 0.090 175.998 176.300 -0.654 0.000 1.242 275 D CA -0.873 52.841 54.000 -0.478 0.000 0.863 275 D CB 0.623 41.169 40.800 -0.423 0.000 1.382 275 D HN 0.473 8.843 8.370 -0.000 0.000 0.444 276 R N 0.135 120.243 120.500 -0.654 0.000 2.152 276 R HA -0.038 4.304 4.340 0.003 0.000 0.232 276 R C 1.362 176.875 176.300 -1.311 0.000 1.117 276 R CA 0.854 56.452 56.100 -0.837 0.000 0.981 276 R CB -0.361 29.472 30.300 -0.778 0.000 0.870 276 R HN 0.329 8.599 8.270 -0.000 0.000 0.451 277 R N 0.812 120.641 120.500 -1.119 0.000 2.115 277 R HA -0.057 4.285 4.340 0.003 0.000 0.230 277 R C 1.487 177.530 176.300 -0.427 0.000 1.111 277 R CA 1.537 57.203 56.100 -0.723 0.000 0.976 277 R CB -0.156 29.889 30.300 -0.425 0.000 0.870 277 R HN 0.381 8.651 8.270 -0.000 0.000 0.445 278 D N 0.878 120.918 120.400 -0.600 0.000 2.117 278 D HA -0.140 4.502 4.640 0.003 0.000 0.198 278 D C 1.903 178.027 176.300 -0.293 0.000 0.982 278 D CA 0.789 54.447 54.000 -0.569 0.000 0.828 278 D CB -0.150 39.896 40.800 -1.256 0.000 0.967 278 D HN 0.069 8.439 8.370 -0.000 0.000 0.464 279 L N 0.575 121.634 121.223 -0.273 0.000 2.012 279 L HA -0.168 4.174 4.340 0.003 0.000 0.210 279 L C 2.060 179.029 176.870 0.165 0.000 1.073 279 L CA 1.571 56.462 54.840 0.084 0.000 0.748 279 L CB -0.639 41.464 42.059 0.073 0.000 0.891 279 L HN 0.056 8.286 8.230 -0.000 0.000 0.431 280 W N -0.146 121.158 121.300 0.007 0.000 2.358 280 W HA -0.059 4.603 4.660 0.004 0.000 0.303 280 W C 2.701 179.236 176.519 0.026 0.000 1.208 280 W CA 1.274 58.628 57.345 0.015 0.000 1.274 280 W CB -1.602 27.854 29.460 -0.007 0.000 1.138 280 W HN 0.376 8.556 8.180 -0.000 0.000 0.515 281 A N 0.631 123.587 122.820 0.227 0.000 1.908 281 A HA -0.052 4.270 4.320 0.003 0.000 0.218 281 A C 2.272 179.947 177.584 0.152 0.000 1.181 281 A CA 2.926 55.053 52.037 0.151 0.000 0.627 281 A CB -1.138 17.912 19.000 0.082 0.000 0.818 281 A HN 0.137 8.287 8.150 -0.000 0.000 0.445 282 A N -0.994 121.923 122.820 0.161 0.000 1.902 282 A HA -0.166 4.156 4.320 0.003 0.000 0.217 282 A C 2.308 180.003 177.584 0.186 0.000 1.181 282 A CA 1.681 53.820 52.037 0.171 0.000 0.623 282 A CB -1.299 17.814 19.000 0.188 0.000 0.818 282 A HN 0.615 8.765 8.150 -0.000 0.000 0.443 283 C N -0.854 118.559 119.300 0.189 0.000 2.425 283 C HA -0.078 4.384 4.460 0.003 0.000 0.277 283 C C 2.618 177.732 174.990 0.207 0.000 1.280 283 C CA 1.115 60.244 59.018 0.184 0.000 1.744 283 C CB -1.260 26.579 27.740 0.165 0.000 1.989 283 C HN 0.684 8.914 8.230 -0.000 0.000 0.491 284 E N 0.476 120.779 120.200 0.171 0.000 2.051 284 E HA -0.236 4.116 4.350 0.003 0.000 0.192 284 E C 2.225 178.899 176.600 0.123 0.000 0.991 284 E CA 1.139 57.618 56.400 0.131 0.000 0.799 284 E CB -0.196 29.572 29.700 0.112 0.000 0.748 284 E HN 0.686 9.046 8.360 -0.000 0.000 0.449 285 E N -0.164 120.116 120.200 0.133 0.000 2.051 285 E HA -0.251 4.101 4.350 0.003 0.000 0.192 285 E C 1.993 178.659 176.600 0.108 0.000 0.991 285 E CA 1.157 57.623 56.400 0.109 0.000 0.799 285 E CB -0.235 29.534 29.700 0.114 0.000 0.748 285 E HN 0.308 8.668 8.360 -0.000 0.000 0.449 286 Y N 0.693 121.018 120.300 0.041 0.000 2.097 286 Y HA -0.262 4.290 4.550 0.003 0.000 0.282 286 Y C 2.119 178.031 175.900 0.020 0.000 1.152 286 Y CA 2.190 60.306 58.100 0.027 0.000 1.136 286 Y CB -0.530 37.946 38.460 0.027 0.000 0.975 286 Y HN 0.148 8.428 8.280 -0.000 0.000 0.498 287 A N -1.059 121.856 122.820 0.158 0.000 1.969 287 A HA -0.133 4.189 4.320 0.003 0.000 0.218 287 A C 2.303 179.868 177.584 -0.032 0.000 1.169 287 A CA 1.847 53.923 52.037 0.065 0.000 0.635 287 A CB -0.935 18.138 19.000 0.122 0.000 0.810 287 A HN 0.471 8.621 8.150 -0.000 0.000 0.445 288 S N -1.181 114.512 115.700 -0.010 0.000 2.527 288 S HA 0.078 4.550 4.470 0.003 0.000 0.222 288 S C 1.029 175.605 174.600 -0.040 0.000 0.985 288 S CA -0.128 58.066 58.200 -0.011 0.000 0.921 288 S CB -0.181 63.029 63.200 0.017 0.000 0.772 288 S HN 0.577 8.887 8.310 -0.000 0.000 0.529 289 R N 3.217 123.664 120.500 -0.087 0.000 2.438 289 R HA 0.127 4.469 4.340 0.003 0.000 0.287 289 R C 0.112 176.351 176.300 -0.101 0.000 1.077 289 R CA -0.049 55.995 56.100 -0.093 0.000 1.034 289 R CB 0.382 30.602 30.300 -0.133 0.000 0.993 289 R HN 0.207 8.477 8.270 -0.000 0.000 0.459 290 T N 2.834 117.353 114.554 -0.060 0.000 2.905 290 T HA 0.056 4.408 4.350 0.003 0.000 0.299 290 T C -0.008 174.651 174.700 -0.068 0.000 1.024 290 T CA -0.428 61.643 62.100 -0.049 0.000 1.151 290 T CB 0.414 69.269 68.868 -0.022 0.000 0.987 290 T HN 0.385 8.625 8.240 -0.000 0.000 0.535 291 R N 3.160 123.618 120.500 -0.070 0.000 2.198 291 R HA 0.369 4.711 4.340 0.003 0.000 0.339 291 R C 0.501 176.782 176.300 -0.033 0.000 1.020 291 R CA -0.505 55.548 56.100 -0.078 0.000 0.864 291 R CB 0.728 30.972 30.300 -0.093 0.000 1.105 291 R HN 0.755 9.025 8.270 -0.000 0.000 0.463 292 R N 1.792 122.284 120.500 -0.014 0.000 2.577 292 R HA 0.185 4.527 4.340 0.003 0.000 0.269 292 R C -0.222 176.114 176.300 0.061 0.000 1.084 292 R CA -0.631 55.494 56.100 0.041 0.000 1.163 292 R CB 0.501 30.834 30.300 0.055 0.000 1.100 292 R HN 0.433 8.703 8.270 -0.000 0.000 0.547 293 F N 1.933 121.868 119.950 -0.026 0.000 2.568 293 F HA -0.034 4.496 4.527 0.005 0.000 0.394 293 F C 1.246 177.025 175.800 -0.034 0.000 1.032 293 F CA 2.329 60.312 58.000 -0.028 0.000 1.242 293 F CB 0.257 39.244 39.000 -0.021 0.000 0.966 293 F HN 0.827 9.127 8.300 -0.000 0.000 0.560 294 G N 3.018 111.311 108.800 -0.845 0.000 2.225 294 G HA2 -0.289 3.673 3.960 0.003 0.000 0.254 294 G HA3 -0.289 3.673 3.960 0.003 0.000 0.254 294 G C 0.401 175.089 174.900 -0.354 0.000 0.988 294 G CA 0.396 45.086 45.100 -0.684 0.000 0.625 294 G HN 1.278 9.568 8.290 -0.000 0.000 0.527 295 S N 0.000 115.562 115.700 -0.230 0.000 2.498 295 S HA 0.000 4.472 4.470 0.003 0.000 0.327 295 S CA 0.000 58.110 58.200 -0.150 0.000 1.107 295 S CB 0.000 63.150 63.200 -0.084 0.000 0.593 295 S HN 0.000 8.310 8.310 -0.000 0.000 0.517