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 2isg_1_A DATA FIRST_RESID 2 DATA SEQUENCE PFVNKQFNYK DPVNGVDIAY IKIPNAGQMQ PVKAFKIHNK IWVIPERDTF DATA SEQUENCE TNPEEGDLNP PPEAKQVPVS YYDSTYLSTD NEKDNYLKGV TKLFERIYST DATA SEQUENCE DLGRMLLTSI VRGIPFWGGS TIDTELKVID TNCINVIQPD GSYRSEELNL DATA SEQUENCE VIIGPSADII QFECKSFGHE VLNLTRNGYG STQYIRFSPD FTFGFEESLE DATA SEQUENCE VDTNPLLGAG KFATDPAVTL AHELIHAGHR LYGIAINPNR VFKVNTNAYY DATA SEQUENCE EMSGLEVSFE ELRTFGGHDA KFIDSLQENE FRLYYYNKFK DIASTLNKAK DATA SEQUENCE SIVGTTASLQ YMKNVFKEKY LLSEDTSGKF SVDKLKFDKL YKMLTEIYTE DATA SEQUENCE DNFVKFFKVL NRKTYLNFDK AVFKINIVPK VNYTIYDGFN LRNTNLAANF DATA SEQUENCE NGQNTEINNM NFTKLK 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 2 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 2 P C 0.000 177.107 177.300 -0.322 0.000 1.155 2 P CA 0.000 62.911 63.100 -0.315 0.000 0.800 2 P CB 0.000 31.308 31.700 -0.653 0.000 0.726 3 F N 2.787 122.203 119.950 -0.890 0.000 2.533 3 F HA 0.428 4.954 4.527 -0.001 0.000 0.378 3 F C -0.314 175.378 175.800 -0.180 0.000 1.070 3 F CA -0.628 56.999 58.000 -0.622 0.000 1.172 3 F CB 0.194 38.765 39.000 -0.715 0.000 1.085 3 F HN -0.115 8.185 8.300 -0.000 0.000 0.552 4 V N 8.475 128.205 119.914 -0.306 0.000 2.318 4 V HA 0.122 4.240 4.120 -0.002 0.000 0.271 4 V C 0.993 176.732 176.094 -0.592 0.000 1.030 4 V CA -0.341 61.763 62.300 -0.327 0.000 0.844 4 V CB 0.692 32.414 31.823 -0.169 0.000 1.015 4 V HN 0.830 9.020 8.190 -0.000 0.000 0.460 5 N N 3.030 121.349 118.700 -0.635 0.000 2.142 5 N HA -0.040 4.698 4.740 -0.002 0.000 0.186 5 N C 0.420 175.660 175.510 -0.450 0.000 1.023 5 N CA 0.786 53.454 53.050 -0.636 0.000 0.852 5 N CB 0.233 38.446 38.487 -0.458 0.000 0.998 5 N HN 0.552 8.932 8.380 -0.000 0.000 0.424 6 K N 1.193 121.312 120.400 -0.469 0.000 2.130 6 K HA 0.226 4.544 4.320 -0.002 0.000 0.268 6 K C -0.695 175.505 176.600 -0.665 0.000 0.983 6 K CA -0.444 55.508 56.287 -0.559 0.000 0.893 6 K CB 1.719 33.795 32.500 -0.708 0.000 1.066 6 K HN -0.090 8.160 8.250 -0.000 0.000 0.450 7 Q N 1.927 121.442 119.800 -0.476 0.000 2.286 7 Q HA 0.264 4.602 4.340 -0.002 0.000 0.257 7 Q C -1.424 174.345 176.000 -0.384 0.000 0.941 7 Q CA 0.092 55.698 55.803 -0.329 0.000 0.912 7 Q CB 0.423 29.059 28.738 -0.170 0.000 1.192 7 Q HN 0.304 8.574 8.270 -0.000 0.000 0.410 8 F N 2.269 122.170 119.950 -0.081 0.000 2.450 8 F HA 0.484 5.011 4.527 -0.001 0.000 0.332 8 F C 0.178 175.921 175.800 -0.095 0.000 1.093 8 F CA -0.776 57.177 58.000 -0.079 0.000 1.003 8 F CB 1.455 40.361 39.000 -0.157 0.000 1.151 8 F HN 0.426 8.726 8.300 -0.000 0.000 0.474 9 N N 1.959 120.778 118.700 0.199 0.000 2.321 9 N HA 0.075 4.813 4.740 -0.002 0.000 0.299 9 N C 0.462 176.070 175.510 0.164 0.000 1.048 9 N CA -0.546 52.580 53.050 0.128 0.000 0.836 9 N CB 1.488 40.045 38.487 0.118 0.000 1.269 9 N HN 0.665 9.045 8.380 -0.000 0.000 0.486 10 Y N 2.680 122.988 120.300 0.013 0.000 2.193 10 Y HA -0.171 4.376 4.550 -0.005 0.000 0.285 10 Y C 1.558 177.621 175.900 0.271 0.000 1.166 10 Y CA 1.914 60.086 58.100 0.120 0.000 1.181 10 Y CB 0.234 38.737 38.460 0.072 0.000 0.976 10 Y HN 0.449 8.729 8.280 -0.000 0.000 0.520 11 K N 0.314 120.820 120.400 0.177 0.000 2.525 11 K HA -0.041 4.278 4.320 -0.002 0.000 0.192 11 K C -0.139 176.508 176.600 0.079 0.000 1.029 11 K CA 0.294 56.641 56.287 0.099 0.000 1.029 11 K CB -0.180 32.400 32.500 0.133 0.000 0.814 11 K HN 0.241 8.491 8.250 -0.000 0.000 0.503 12 D N 2.984 123.464 120.400 0.133 0.000 2.525 12 D HA -0.012 4.627 4.640 -0.002 0.000 0.235 12 D C -2.190 174.154 176.300 0.074 0.000 1.137 12 D CA -1.216 52.865 54.000 0.134 0.000 0.868 12 D CB 0.370 41.316 40.800 0.243 0.000 1.180 12 D HN 0.091 8.461 8.370 -0.000 0.000 0.465 13 P HA -0.025 4.395 4.420 -0.000 0.000 0.268 13 P C -0.083 177.222 177.300 0.010 0.000 1.205 13 P CA -0.322 62.794 63.100 0.027 0.000 0.771 13 P CB 0.658 32.374 31.700 0.026 0.000 0.858 14 V N 3.293 123.203 119.914 -0.007 0.000 2.963 14 V HA -0.061 4.058 4.120 -0.002 0.000 0.306 14 V C 1.520 177.609 176.094 -0.009 0.000 1.077 14 V CA 0.940 63.224 62.300 -0.028 0.000 1.124 14 V CB 0.022 31.858 31.823 0.022 0.000 0.987 14 V HN 0.830 9.020 8.190 -0.000 0.000 0.487 15 N N 0.550 119.242 118.700 -0.012 0.000 2.081 15 N HA 0.236 4.975 4.740 -0.002 0.000 0.230 15 N C 0.922 176.432 175.510 0.001 0.000 1.351 15 N CA 0.424 53.474 53.050 -0.001 0.000 0.840 15 N CB 0.763 39.256 38.487 0.011 0.000 1.189 15 N HN 0.945 9.325 8.380 -0.000 0.000 0.503 16 G N -0.431 108.370 108.800 0.002 0.000 2.186 16 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.266 16 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.266 16 G C 0.540 175.469 174.900 0.049 0.000 0.982 16 G CA 1.098 46.206 45.100 0.013 0.000 0.670 16 G HN 0.295 8.585 8.290 -0.000 0.000 0.533 17 V N 0.319 120.263 119.914 0.049 0.000 3.240 17 V HA 0.210 4.328 4.120 -0.002 0.000 0.218 17 V C 1.803 177.921 176.094 0.040 0.000 1.190 17 V CA 1.708 64.042 62.300 0.057 0.000 1.280 17 V CB 0.179 32.013 31.823 0.017 0.000 1.244 17 V HN 0.424 8.614 8.190 -0.000 0.000 0.512 18 D N -0.624 119.752 120.400 -0.040 0.000 2.431 18 D HA 0.230 4.868 4.640 -0.002 0.000 0.213 18 D C 0.087 176.241 176.300 -0.244 0.000 1.130 18 D CA 0.217 54.093 54.000 -0.206 0.000 0.834 18 D CB 0.416 41.173 40.800 -0.071 0.000 0.985 18 D HN 0.420 8.790 8.370 -0.000 0.000 0.504 19 I N 0.745 121.232 120.570 -0.138 0.000 2.531 19 I HA 0.641 4.810 4.170 -0.002 0.000 0.283 19 I C -0.993 175.001 176.117 -0.205 0.000 1.083 19 I CA -0.656 60.454 61.300 -0.316 0.000 1.071 19 I CB 1.728 39.599 38.000 -0.215 0.000 1.210 19 I HN 0.097 8.307 8.210 -0.000 0.000 0.450 20 A N 4.618 127.298 122.820 -0.234 0.000 2.586 20 A HA 0.726 5.045 4.320 -0.002 0.000 0.290 20 A C -2.125 175.334 177.584 -0.210 0.000 1.086 20 A CA -0.497 51.470 52.037 -0.117 0.000 0.665 20 A CB 1.092 20.099 19.000 0.011 0.000 1.279 20 A HN 0.439 8.589 8.150 -0.000 0.000 0.423 21 Y N 0.471 120.694 120.300 -0.127 0.000 2.304 21 Y HA 0.583 5.138 4.550 0.008 0.000 0.328 21 Y C 0.722 176.584 175.900 -0.064 0.000 1.123 21 Y CA 0.544 58.587 58.100 -0.096 0.000 1.218 21 Y CB 1.142 39.559 38.460 -0.071 0.000 1.207 21 Y HN 0.692 8.972 8.280 -0.000 0.000 0.495 22 I N -0.393 120.182 120.570 0.008 0.000 3.074 22 I HA 0.718 4.886 4.170 -0.002 0.000 0.310 22 I C -1.605 174.480 176.117 -0.053 0.000 1.153 22 I CA -1.386 59.902 61.300 -0.020 0.000 0.993 22 I CB 2.835 40.697 38.000 -0.231 0.000 1.237 22 I HN 0.355 8.565 8.210 -0.000 0.000 0.443 23 K N 3.272 123.610 120.400 -0.104 0.000 2.378 23 K HA 0.627 4.945 4.320 -0.002 0.000 0.252 23 K C -1.275 175.185 176.600 -0.233 0.000 0.931 23 K CA -0.622 55.531 56.287 -0.223 0.000 0.794 23 K CB 2.868 35.161 32.500 -0.345 0.000 1.181 23 K HN 0.506 8.755 8.250 -0.000 0.000 0.425 24 I N 4.799 125.225 120.570 -0.241 0.000 2.365 24 I HA 0.118 4.286 4.170 -0.002 0.000 0.291 24 I C -0.982 174.975 176.117 -0.266 0.000 1.004 24 I CA -2.097 59.099 61.300 -0.174 0.000 1.311 24 I CB 1.369 39.321 38.000 -0.081 0.000 1.401 24 I HN 0.538 8.748 8.210 -0.000 0.000 0.491 25 P HA -0.278 4.142 4.420 -0.000 0.000 0.218 25 P C 1.050 178.033 177.300 -0.528 0.000 1.154 25 P CA 1.707 64.550 63.100 -0.427 0.000 0.872 25 P CB 0.044 31.470 31.700 -0.456 0.000 0.790 26 N N 1.263 119.439 118.700 -0.873 0.000 1.117 26 N HA -0.271 4.468 4.740 -0.002 0.000 0.123 26 N C 0.354 175.718 175.510 -0.244 0.000 0.275 26 N CA 3.061 55.762 53.050 -0.582 0.000 0.921 26 N CB -1.003 37.472 38.487 -0.019 0.000 1.056 26 N HN 0.496 8.876 8.380 -0.000 0.000 1.249 27 A N -3.212 119.536 122.820 -0.121 0.000 2.415 27 A HA 0.568 4.887 4.320 -0.002 0.000 0.294 27 A C -0.013 177.547 177.584 -0.040 0.000 1.019 27 A CA 0.160 52.150 52.037 -0.078 0.000 0.603 27 A CB -0.089 18.889 19.000 -0.036 0.000 1.382 27 A HN 1.750 9.900 8.150 -0.000 0.000 0.483 28 G N -0.774 108.006 108.800 -0.034 0.000 2.915 28 G HA2 0.149 4.108 3.960 -0.002 0.000 0.686 28 G HA3 0.149 4.108 3.960 -0.002 0.000 0.686 28 G C -0.365 174.514 174.900 -0.035 0.000 1.414 28 G CA 0.344 45.434 45.100 -0.017 0.000 1.053 28 G HN 1.466 9.756 8.290 -0.000 0.000 0.598 29 Q N 1.105 120.886 119.800 -0.032 0.000 3.223 29 Q HA 0.334 4.672 4.340 -0.002 0.000 0.299 29 Q C 1.550 177.538 176.000 -0.021 0.000 1.385 29 Q CA 0.402 56.175 55.803 -0.049 0.000 0.942 29 Q CB -0.215 28.500 28.738 -0.039 0.000 1.748 29 Q HN 0.766 9.036 8.270 -0.000 0.000 0.523 30 M N -0.483 119.111 119.600 -0.011 0.000 2.246 30 M HA 0.018 4.496 4.480 -0.002 0.000 0.327 30 M C 0.098 176.405 176.300 0.012 0.000 1.090 30 M CA -0.134 55.192 55.300 0.044 0.000 1.087 30 M CB 0.626 33.259 32.600 0.054 0.000 1.587 30 M HN 0.184 8.474 8.290 -0.000 0.000 0.444 31 Q N 2.421 122.260 119.800 0.065 0.000 2.314 31 Q HA 0.453 4.792 4.340 -0.002 0.000 0.258 31 Q C -2.726 173.306 176.000 0.052 0.000 0.954 31 Q CA -1.836 54.004 55.803 0.063 0.000 0.890 31 Q CB 0.017 28.808 28.738 0.090 0.000 1.210 31 Q HN 0.516 8.786 8.270 -0.000 0.000 0.410 32 P HA 0.015 4.435 4.420 -0.000 0.000 0.268 32 P C -0.325 177.098 177.300 0.204 0.000 1.208 32 P CA -0.099 63.076 63.100 0.124 0.000 0.777 32 P CB 0.703 32.554 31.700 0.251 0.000 0.875 33 V N -1.497 118.455 119.914 0.063 0.000 2.769 33 V HA 0.502 4.621 4.120 -0.002 0.000 0.312 33 V C 0.031 175.929 176.094 -0.327 0.000 1.061 33 V CA -1.420 60.874 62.300 -0.010 0.000 0.931 33 V CB 1.730 33.516 31.823 -0.062 0.000 1.010 33 V HN 0.421 8.611 8.190 -0.000 0.000 0.433 34 K N 2.096 122.102 120.400 -0.656 0.000 2.379 34 K HA 0.669 4.987 4.320 -0.002 0.000 0.284 34 K C -0.123 176.228 176.600 -0.416 0.000 1.044 34 K CA 0.381 56.086 56.287 -0.970 0.000 0.974 34 K CB 0.732 32.613 32.500 -1.030 0.000 0.962 34 K HN 1.191 9.441 8.250 -0.000 0.000 0.474 35 A N 3.908 126.446 122.820 -0.470 0.000 2.469 35 A HA 0.769 5.088 4.320 -0.002 0.000 0.299 35 A C -1.612 175.741 177.584 -0.385 0.000 1.098 35 A CA -0.787 51.175 52.037 -0.124 0.000 0.737 35 A CB 0.780 19.826 19.000 0.075 0.000 1.312 35 A HN 0.572 8.722 8.150 -0.000 0.000 0.414 36 F N 0.275 120.235 119.950 0.017 0.000 2.547 36 F HA 0.495 5.021 4.527 -0.002 0.000 0.316 36 F C 0.249 175.703 175.800 -0.576 0.000 1.121 36 F CA -0.632 57.104 58.000 -0.439 0.000 0.911 36 F CB 2.358 40.872 39.000 -0.810 0.000 1.179 36 F HN 0.544 8.844 8.300 -0.000 0.000 0.443 37 K N 4.724 124.563 120.400 -0.935 0.000 2.250 37 K HA 0.357 4.676 4.320 -0.002 0.000 0.280 37 K C 0.919 177.221 176.600 -0.497 0.000 1.098 37 K CA -0.174 55.353 56.287 -1.266 0.000 0.916 37 K CB 0.291 31.693 32.500 -1.829 0.000 1.209 37 K HN 0.872 9.122 8.250 -0.000 0.000 0.461 38 I N 0.370 120.748 120.570 -0.320 0.000 3.059 38 I HA 0.139 4.308 4.170 -0.002 0.000 0.270 38 I C 0.453 176.506 176.117 -0.107 0.000 1.238 38 I CA 0.161 61.407 61.300 -0.091 0.000 1.478 38 I CB -0.044 37.853 38.000 -0.172 0.000 1.097 38 I HN 0.522 8.732 8.210 -0.000 0.000 0.455 39 H N 1.268 120.158 119.070 -0.300 0.000 3.024 39 H HA 0.236 4.790 4.556 -0.002 0.000 0.324 39 H C -1.245 173.958 175.328 -0.207 0.000 1.347 39 H CA -0.857 55.050 56.048 -0.235 0.000 1.182 39 H CB 1.559 31.176 29.762 -0.241 0.000 1.889 39 H HN 0.070 8.350 8.280 -0.000 0.000 0.528 40 N N 2.475 121.015 118.700 -0.267 0.000 2.359 40 N HA -0.066 4.673 4.740 -0.002 0.000 0.261 40 N C 0.213 175.787 175.510 0.106 0.000 1.267 40 N CA 1.028 54.038 53.050 -0.067 0.000 0.864 40 N CB 0.297 38.737 38.487 -0.079 0.000 1.063 40 N HN 0.590 8.970 8.380 -0.000 0.000 0.474 41 K N 0.824 121.282 120.400 0.096 0.000 3.529 41 K HA -0.198 4.120 4.320 -0.002 0.000 0.313 41 K C -0.645 176.060 176.600 0.174 0.000 1.316 41 K CA 0.974 57.358 56.287 0.163 0.000 0.988 41 K CB -2.089 30.491 32.500 0.133 0.000 1.252 41 K HN 0.616 8.866 8.250 -0.000 0.000 0.438 42 I N 0.100 120.720 120.570 0.083 0.000 2.447 42 I HA 0.361 4.530 4.170 -0.002 0.000 0.287 42 I C -0.403 175.679 176.117 -0.059 0.000 1.023 42 I CA -0.748 60.576 61.300 0.040 0.000 1.083 42 I CB 1.135 39.081 38.000 -0.091 0.000 1.245 42 I HN -0.089 8.121 8.210 -0.000 0.000 0.434 43 W N 5.019 126.280 121.300 -0.064 0.000 2.799 43 W HA 0.704 5.362 4.660 -0.003 0.000 0.349 43 W C -0.870 175.648 176.519 -0.002 0.000 1.100 43 W CA -0.759 56.561 57.345 -0.043 0.000 1.174 43 W CB 1.647 31.085 29.460 -0.036 0.000 1.427 43 W HN -0.038 8.142 8.180 -0.000 0.000 0.547 44 V N 3.775 123.865 119.914 0.292 0.000 2.487 44 V HA 0.445 4.564 4.120 -0.002 0.000 0.298 44 V C -0.472 175.846 176.094 0.373 0.000 1.028 44 V CA -0.948 61.526 62.300 0.290 0.000 0.860 44 V CB 1.445 33.391 31.823 0.203 0.000 0.991 44 V HN 0.361 8.551 8.190 -0.000 0.000 0.427 45 I N 7.275 128.049 120.570 0.341 0.000 2.371 45 I HA 0.330 4.499 4.170 -0.002 0.000 0.282 45 I C -2.083 174.161 176.117 0.211 0.000 1.031 45 I CA -1.744 59.726 61.300 0.283 0.000 1.180 45 I CB 2.397 40.529 38.000 0.220 0.000 1.336 45 I HN 0.440 8.650 8.210 -0.000 0.000 0.467 46 P HA 0.159 4.579 4.420 -0.000 0.000 0.226 46 P C -0.581 176.585 177.300 -0.224 0.000 1.783 46 P CA 0.152 63.165 63.100 -0.145 0.000 0.980 46 P CB 0.157 31.871 31.700 0.024 0.000 1.967 47 E N 1.077 121.195 120.200 -0.137 0.000 2.343 47 E HA 0.359 4.708 4.350 -0.002 0.000 0.270 47 E C 0.215 176.775 176.600 -0.066 0.000 0.895 47 E CA -1.014 55.358 56.400 -0.046 0.000 0.767 47 E CB 1.936 31.755 29.700 0.199 0.000 1.248 47 E HN 0.118 8.478 8.360 -0.000 0.000 0.440 48 R N 1.183 121.629 120.500 -0.089 0.000 2.590 48 R HA 0.065 4.404 4.340 -0.002 0.000 0.274 48 R C -0.089 176.181 176.300 -0.048 0.000 1.061 48 R CA -0.235 55.822 56.100 -0.072 0.000 1.081 48 R CB 0.117 30.367 30.300 -0.083 0.000 0.984 48 R HN 0.411 8.681 8.270 -0.000 0.000 0.448 49 D N 1.689 122.086 120.400 -0.005 0.000 2.383 49 D HA -0.000 4.638 4.640 -0.002 0.000 0.245 49 D C 0.296 176.471 176.300 -0.208 0.000 1.263 49 D CA 0.070 54.063 54.000 -0.011 0.000 0.936 49 D CB 0.351 41.210 40.800 0.098 0.000 1.053 49 D HN 0.501 8.871 8.370 -0.000 0.000 0.507 50 T N 0.341 114.519 114.554 -0.627 0.000 3.215 50 T HA 0.188 4.537 4.350 -0.002 0.000 0.271 50 T C 0.821 175.107 174.700 -0.689 0.000 1.012 50 T CA -0.385 61.345 62.100 -0.617 0.000 0.899 50 T CB -0.454 68.026 68.868 -0.647 0.000 1.089 50 T HN 0.174 8.414 8.240 -0.000 0.000 0.552 51 F N 0.455 120.418 119.950 0.021 0.000 2.619 51 F HA 0.291 4.814 4.527 -0.006 0.000 0.281 51 F C 2.482 178.306 175.800 0.039 0.000 1.065 51 F CA -0.222 57.797 58.000 0.032 0.000 1.304 51 F CB -0.640 38.385 39.000 0.042 0.000 1.059 51 F HN 0.048 8.348 8.300 -0.000 0.000 0.648 52 T N -0.071 114.551 114.554 0.114 0.000 2.833 52 T HA -0.196 4.153 4.350 -0.002 0.000 0.269 52 T C 0.623 175.274 174.700 -0.081 0.000 1.054 52 T CA 1.271 63.294 62.100 -0.127 0.000 1.135 52 T CB -0.570 68.120 68.868 -0.297 0.000 0.869 52 T HN 0.175 8.415 8.240 -0.000 0.000 0.466 53 N N 0.487 119.174 118.700 -0.021 0.000 2.410 53 N HA 0.195 4.934 4.740 -0.002 0.000 0.287 53 N C -2.142 173.376 175.510 0.012 0.000 1.044 53 N CA -1.984 51.063 53.050 -0.005 0.000 0.881 53 N CB 2.127 40.599 38.487 -0.026 0.000 1.405 53 N HN -0.175 8.205 8.380 -0.000 0.000 0.490 54 P HA -0.169 4.251 4.420 -0.000 0.000 0.218 54 P C -0.004 177.298 177.300 0.005 0.000 1.148 54 P CA 1.406 64.520 63.100 0.023 0.000 0.822 54 P CB 0.281 32.000 31.700 0.031 0.000 0.784 55 E N -0.011 120.191 120.200 0.003 0.000 2.445 55 E HA 0.021 4.370 4.350 -0.002 0.000 0.189 55 E C 0.070 176.666 176.600 -0.006 0.000 1.069 55 E CA 0.169 56.568 56.400 -0.001 0.000 0.871 55 E CB 0.006 29.707 29.700 0.002 0.000 0.991 55 E HN 0.530 8.890 8.360 -0.000 0.000 0.481 56 E N -0.001 120.190 120.200 -0.014 0.000 3.898 56 E HA 0.164 4.512 4.350 -0.002 0.000 0.219 56 E C 0.419 176.989 176.600 -0.051 0.000 1.207 56 E CA -0.263 56.125 56.400 -0.020 0.000 1.240 56 E CB 1.295 30.987 29.700 -0.014 0.000 1.239 56 E HN 0.161 8.521 8.360 -0.000 0.000 0.422 57 G N 1.380 110.149 108.800 -0.052 0.000 2.762 57 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.209 57 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.209 57 G C 0.408 175.260 174.900 -0.080 0.000 1.134 57 G CA -0.026 45.023 45.100 -0.085 0.000 0.781 57 G HN 0.342 8.632 8.290 -0.000 0.000 0.528 58 D N 0.218 120.591 120.400 -0.046 0.000 2.198 58 D HA 0.293 4.932 4.640 -0.002 0.000 0.247 58 D C 0.882 177.174 176.300 -0.013 0.000 1.010 58 D CA -0.806 53.173 54.000 -0.035 0.000 0.880 58 D CB 1.825 42.609 40.800 -0.027 0.000 1.209 58 D HN 0.070 8.440 8.370 -0.000 0.000 0.451 59 L N 0.413 121.632 121.223 -0.006 0.000 2.592 59 L HA 0.117 4.456 4.340 -0.002 0.000 0.227 59 L C 0.532 177.438 176.870 0.059 0.000 1.127 59 L CA -0.312 54.547 54.840 0.031 0.000 0.884 59 L CB -0.497 41.571 42.059 0.016 0.000 1.065 59 L HN 0.229 8.459 8.230 -0.000 0.000 0.457 60 N N 2.464 121.171 118.700 0.011 0.000 2.518 60 N HA 0.167 4.906 4.740 -0.002 0.000 0.266 60 N C -2.269 173.181 175.510 -0.099 0.000 1.196 60 N CA -1.013 52.020 53.050 -0.028 0.000 0.947 60 N CB 0.478 38.935 38.487 -0.050 0.000 1.098 60 N HN -0.047 8.333 8.380 -0.000 0.000 0.450 61 P HA 0.135 4.555 4.420 -0.000 0.000 0.271 61 P C -2.373 174.662 177.300 -0.443 0.000 1.220 61 P CA -0.751 61.909 63.100 -0.733 0.000 0.768 61 P CB 0.137 31.369 31.700 -0.779 0.000 0.848 62 P HA 0.354 4.774 4.420 -0.000 0.000 0.276 62 P C -2.666 174.514 177.300 -0.201 0.000 1.252 62 P CA -2.053 60.916 63.100 -0.219 0.000 0.802 62 P CB -0.703 30.910 31.700 -0.145 0.000 1.035 63 P HA 0.124 4.544 4.420 -0.000 0.000 0.271 63 P C -0.116 177.129 177.300 -0.093 0.000 1.216 63 P CA 0.626 63.664 63.100 -0.103 0.000 0.771 63 P CB 0.145 31.803 31.700 -0.071 0.000 0.864 64 E N -1.224 118.925 120.200 -0.086 0.000 4.157 64 E HA -0.146 4.203 4.350 -0.002 0.000 0.351 64 E C 0.192 176.753 176.600 -0.065 0.000 0.691 64 E CA 0.875 57.238 56.400 -0.062 0.000 1.380 64 E CB -2.241 27.434 29.700 -0.043 0.000 1.727 64 E HN 0.617 8.977 8.360 -0.000 0.000 0.402 65 A N 1.504 124.250 122.820 -0.122 0.000 2.520 65 A HA 0.212 4.531 4.320 -0.002 0.000 0.235 65 A C 0.836 178.416 177.584 -0.007 0.000 1.065 65 A CA 0.289 52.256 52.037 -0.117 0.000 0.764 65 A CB 0.486 19.237 19.000 -0.415 0.000 1.002 65 A HN -0.012 8.138 8.150 -0.000 0.000 0.502 66 K N 1.322 121.771 120.400 0.081 0.000 2.276 66 K HA 0.140 4.459 4.320 -0.002 0.000 0.259 66 K C 0.320 176.973 176.600 0.088 0.000 1.001 66 K CA -0.104 56.225 56.287 0.070 0.000 0.927 66 K CB 0.327 32.868 32.500 0.069 0.000 0.969 66 K HN 0.722 8.972 8.250 -0.000 0.000 0.490 67 Q N 0.810 120.641 119.800 0.052 0.000 2.260 67 Q HA 0.092 4.431 4.340 -0.002 0.000 0.238 67 Q C 1.633 177.667 176.000 0.057 0.000 0.948 67 Q CA -0.311 55.523 55.803 0.051 0.000 0.895 67 Q CB 0.654 29.407 28.738 0.026 0.000 1.218 67 Q HN 0.345 8.615 8.270 -0.000 0.000 0.470 68 V N 2.422 122.377 119.914 0.068 0.000 2.355 68 V HA -0.364 3.755 4.120 -0.002 0.000 0.240 68 V C -0.576 175.524 176.094 0.009 0.000 1.018 68 V CA 2.932 65.270 62.300 0.063 0.000 1.109 68 V CB -2.424 29.418 31.823 0.031 0.000 0.832 68 V HN 0.791 8.981 8.190 -0.000 0.000 0.495 69 P HA -0.166 4.254 4.420 -0.000 0.000 0.216 69 P C 1.711 178.991 177.300 -0.033 0.000 1.157 69 P CA 2.698 65.768 63.100 -0.051 0.000 0.880 69 P CB -0.240 31.431 31.700 -0.049 0.000 0.791 70 V N -0.817 119.085 119.914 -0.021 0.000 2.307 70 V HA -0.087 4.031 4.120 -0.002 0.000 0.245 70 V C 1.539 177.611 176.094 -0.037 0.000 1.045 70 V CA 1.730 64.010 62.300 -0.033 0.000 1.024 70 V CB -0.835 30.979 31.823 -0.015 0.000 0.651 70 V HN 0.170 8.360 8.190 -0.000 0.000 0.449 71 S N -2.529 113.169 115.700 -0.004 0.000 2.667 71 S HA 0.744 5.213 4.470 -0.002 0.000 0.292 71 S C -1.641 172.956 174.600 -0.006 0.000 1.126 71 S CA -0.349 57.820 58.200 -0.051 0.000 0.881 71 S CB 2.516 65.728 63.200 0.020 0.000 1.132 71 S HN 0.300 8.610 8.310 -0.000 0.000 0.492 72 Y N 0.925 121.004 120.300 -0.369 0.000 2.399 72 Y HA 0.584 5.133 4.550 -0.002 0.000 0.327 72 Y C -2.368 173.234 175.900 -0.496 0.000 1.111 72 Y CA -0.829 57.083 58.100 -0.313 0.000 1.047 72 Y CB 0.707 38.934 38.460 -0.389 0.000 1.259 72 Y HN 0.682 8.962 8.280 -0.000 0.000 0.434 73 Y N 3.778 123.571 120.300 -0.846 0.000 2.485 73 Y HA 0.598 5.146 4.550 -0.003 0.000 0.345 73 Y C -0.671 174.777 175.900 -0.753 0.000 0.998 73 Y CA -1.023 56.708 58.100 -0.616 0.000 1.059 73 Y CB 2.062 40.336 38.460 -0.310 0.000 1.234 73 Y HN 0.564 8.844 8.280 -0.000 0.000 0.461 74 D N -0.036 120.218 120.400 -0.244 0.000 2.266 74 D HA 0.032 4.670 4.640 -0.002 0.000 0.218 74 D C 0.224 176.545 176.300 0.034 0.000 1.311 74 D CA -0.024 53.913 54.000 -0.105 0.000 0.918 74 D CB 0.521 41.286 40.800 -0.057 0.000 1.530 74 D HN 0.462 8.832 8.370 -0.000 0.000 0.514 75 S N 0.976 116.696 115.700 0.033 0.000 2.465 75 S HA -0.166 4.303 4.470 -0.002 0.000 0.241 75 S C 1.548 176.177 174.600 0.049 0.000 1.000 75 S CA 1.641 59.865 58.200 0.040 0.000 0.964 75 S CB -0.470 62.741 63.200 0.019 0.000 0.763 75 S HN 0.511 8.821 8.310 -0.000 0.000 0.512 76 T N -2.811 111.787 114.554 0.074 0.000 3.086 76 T HA 0.192 4.541 4.350 -0.002 0.000 0.250 76 T C 0.321 175.085 174.700 0.106 0.000 1.074 76 T CA -0.563 61.579 62.100 0.071 0.000 0.988 76 T CB -0.653 68.257 68.868 0.069 0.000 0.988 76 T HN 0.433 8.673 8.240 -0.000 0.000 0.530 77 Y N 2.781 123.115 120.300 0.057 0.000 2.511 77 Y HA 0.342 4.892 4.550 0.000 0.000 0.332 77 Y C 0.822 176.748 175.900 0.043 0.000 1.177 77 Y CA -1.842 56.315 58.100 0.096 0.000 1.422 77 Y CB -0.002 38.566 38.460 0.181 0.000 1.271 77 Y HN 0.227 8.507 8.280 -0.000 0.000 0.550 78 L N 4.638 125.408 121.223 -0.756 0.000 3.598 78 L HA -0.297 4.042 4.340 -0.002 0.000 0.422 78 L C 0.596 177.262 176.870 -0.340 0.000 1.262 78 L CA 1.066 55.487 54.840 -0.698 0.000 0.889 78 L CB -1.523 39.969 42.059 -0.944 0.000 1.857 78 L HN 0.864 9.094 8.230 -0.000 0.000 0.858 79 S N -3.707 111.876 115.700 -0.195 0.000 2.578 79 S HA 0.151 4.620 4.470 -0.002 0.000 0.228 79 S C 0.664 175.216 174.600 -0.079 0.000 1.022 79 S CA 0.325 58.461 58.200 -0.107 0.000 0.967 79 S CB 0.777 63.948 63.200 -0.048 0.000 0.914 79 S HN 0.559 8.869 8.310 -0.000 0.000 0.515 80 T N -0.704 113.791 114.554 -0.099 0.000 2.940 80 T HA 0.488 4.836 4.350 -0.002 0.000 0.288 80 T C 0.075 174.697 174.700 -0.131 0.000 1.033 80 T CA -0.561 61.499 62.100 -0.066 0.000 1.033 80 T CB 1.400 70.251 68.868 -0.028 0.000 1.079 80 T HN -0.176 8.064 8.240 -0.000 0.000 0.496 81 D N 1.042 121.404 120.400 -0.063 0.000 2.144 81 D HA -0.111 4.528 4.640 -0.002 0.000 0.199 81 D C 1.728 177.970 176.300 -0.097 0.000 0.984 81 D CA 1.096 55.049 54.000 -0.079 0.000 0.834 81 D CB -0.137 40.761 40.800 0.163 0.000 0.955 81 D HN 0.505 8.875 8.370 -0.000 0.000 0.465 82 N N 1.008 119.689 118.700 -0.032 0.000 2.142 82 N HA -0.117 4.622 4.740 -0.002 0.000 0.186 82 N C 1.680 177.163 175.510 -0.045 0.000 1.023 82 N CA 0.669 53.711 53.050 -0.013 0.000 0.852 82 N CB -0.206 38.286 38.487 0.009 0.000 0.998 82 N HN 0.428 8.808 8.380 -0.000 0.000 0.424 83 E N 0.901 121.056 120.200 -0.075 0.000 2.077 83 E HA -0.099 4.249 4.350 -0.002 0.000 0.193 83 E C 1.741 178.273 176.600 -0.113 0.000 0.989 83 E CA 0.938 57.297 56.400 -0.069 0.000 0.800 83 E CB 0.021 29.659 29.700 -0.102 0.000 0.746 83 E HN 0.376 8.736 8.360 -0.000 0.000 0.452 84 K N 0.634 120.864 120.400 -0.284 0.000 2.097 84 K HA -0.169 4.150 4.320 -0.002 0.000 0.205 84 K C 1.870 178.347 176.600 -0.206 0.000 1.050 84 K CA 1.453 57.494 56.287 -0.410 0.000 0.938 84 K CB -0.078 31.784 32.500 -1.064 0.000 0.718 84 K HN 0.055 8.305 8.250 -0.000 0.000 0.442 85 D N 1.054 121.370 120.400 -0.140 0.000 2.097 85 D HA -0.170 4.468 4.640 -0.002 0.000 0.197 85 D C 1.757 178.067 176.300 0.017 0.000 0.984 85 D CA 1.087 55.103 54.000 0.027 0.000 0.826 85 D CB -0.064 40.784 40.800 0.080 0.000 0.973 85 D HN 0.097 8.467 8.370 -0.000 0.000 0.460 86 N N -1.320 117.389 118.700 0.014 0.000 2.188 86 N HA -0.214 4.524 4.740 -0.002 0.000 0.184 86 N C 1.794 177.325 175.510 0.035 0.000 1.018 86 N CA 0.706 53.765 53.050 0.016 0.000 0.858 86 N CB -0.155 38.341 38.487 0.014 0.000 0.989 86 N HN 0.312 8.692 8.380 -0.000 0.000 0.426 87 Y N 1.383 121.652 120.300 -0.052 0.000 2.145 87 Y HA -0.187 4.364 4.550 0.000 0.000 0.286 87 Y C 2.352 178.244 175.900 -0.013 0.000 1.145 87 Y CA 1.157 59.244 58.100 -0.021 0.000 1.148 87 Y CB -0.519 37.917 38.460 -0.040 0.000 0.981 87 Y HN 0.025 8.305 8.280 -0.000 0.000 0.507 88 L N 1.127 122.423 121.223 0.122 0.000 2.012 88 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 88 L C 2.094 178.928 176.870 -0.060 0.000 1.073 88 L CA 2.010 56.846 54.840 -0.007 0.000 0.748 88 L CB -0.723 41.243 42.059 -0.155 0.000 0.891 88 L HN 0.166 8.396 8.230 -0.000 0.000 0.431 89 K N -0.904 119.469 120.400 -0.044 0.000 2.148 89 K HA -0.027 4.292 4.320 -0.002 0.000 0.204 89 K C 2.009 178.575 176.600 -0.056 0.000 1.050 89 K CA 0.983 57.249 56.287 -0.035 0.000 0.942 89 K CB -0.576 31.910 32.500 -0.022 0.000 0.724 89 K HN 0.543 8.793 8.250 -0.000 0.000 0.446 90 G N 1.134 109.874 108.800 -0.100 0.000 2.404 90 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.215 90 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.215 90 G C 1.590 176.421 174.900 -0.116 0.000 1.174 90 G CA 0.558 45.572 45.100 -0.142 0.000 0.780 90 G HN 0.070 8.360 8.290 -0.000 0.000 0.537 91 V N 1.015 120.843 119.914 -0.144 0.000 2.343 91 V HA -0.193 3.926 4.120 -0.002 0.000 0.247 91 V C 3.177 179.364 176.094 0.156 0.000 1.051 91 V CA 2.372 64.662 62.300 -0.018 0.000 1.036 91 V CB -0.873 30.914 31.823 -0.060 0.000 0.654 91 V HN 0.389 8.579 8.190 -0.000 0.000 0.451 92 T N -0.607 114.004 114.554 0.095 0.000 2.746 92 T HA -0.252 4.096 4.350 -0.002 0.000 0.267 92 T C 1.967 176.741 174.700 0.123 0.000 1.039 92 T CA 1.855 64.029 62.100 0.123 0.000 1.142 92 T CB -0.214 68.681 68.868 0.044 0.000 0.866 92 T HN 0.451 8.691 8.240 -0.000 0.000 0.444 93 K N 0.679 121.110 120.400 0.051 0.000 2.097 93 K HA -0.004 4.314 4.320 -0.002 0.000 0.206 93 K C 2.183 178.813 176.600 0.051 0.000 1.049 93 K CA 0.973 57.287 56.287 0.045 0.000 0.933 93 K CB -0.233 32.272 32.500 0.008 0.000 0.717 93 K HN 0.311 8.561 8.250 -0.000 0.000 0.442 94 L N -0.187 121.037 121.223 0.002 0.000 2.093 94 L HA -0.128 4.211 4.340 -0.002 0.000 0.208 94 L C 2.196 179.010 176.870 -0.093 0.000 1.085 94 L CA 0.921 55.717 54.840 -0.074 0.000 0.755 94 L CB -0.411 41.543 42.059 -0.175 0.000 0.904 94 L HN 0.124 8.354 8.230 -0.000 0.000 0.435 95 F N 0.638 120.561 119.950 -0.044 0.000 2.171 95 F HA -0.188 4.338 4.527 -0.002 0.000 0.300 95 F C 2.693 178.525 175.800 0.053 0.000 1.090 95 F CA 1.255 59.239 58.000 -0.028 0.000 1.293 95 F CB -0.142 38.825 39.000 -0.055 0.000 1.013 95 F HN 0.056 8.356 8.300 -0.000 0.000 0.486 96 E N -0.140 120.201 120.200 0.235 0.000 2.106 96 E HA -0.204 4.145 4.350 -0.002 0.000 0.192 96 E C 2.256 178.950 176.600 0.156 0.000 0.984 96 E CA 0.818 57.353 56.400 0.224 0.000 0.806 96 E CB -0.493 29.302 29.700 0.157 0.000 0.750 96 E HN 0.379 8.739 8.360 -0.000 0.000 0.458 97 R N 0.670 121.217 120.500 0.079 0.000 2.096 97 R HA -0.051 4.288 4.340 -0.002 0.000 0.235 97 R C 2.382 178.847 176.300 0.275 0.000 1.127 97 R CA 0.918 57.055 56.100 0.060 0.000 0.968 97 R CB -0.174 30.122 30.300 -0.007 0.000 0.861 97 R HN 0.109 8.379 8.270 -0.000 0.000 0.440 98 I N -0.447 120.273 120.570 0.251 0.000 2.233 98 I HA -0.253 3.915 4.170 -0.002 0.000 0.243 98 I C 1.946 178.203 176.117 0.233 0.000 1.093 98 I CA 1.006 62.480 61.300 0.289 0.000 1.380 98 I CB -0.296 37.725 38.000 0.034 0.000 1.067 98 I HN 0.229 8.439 8.210 -0.000 0.000 0.413 99 Y N 1.671 122.029 120.300 0.096 0.000 2.483 99 Y HA -0.236 4.313 4.550 -0.001 0.000 0.291 99 Y C 2.660 178.593 175.900 0.055 0.000 1.143 99 Y CA 1.268 59.412 58.100 0.074 0.000 1.289 99 Y CB -0.247 38.280 38.460 0.111 0.000 0.983 99 Y HN 0.232 8.512 8.280 -0.000 0.000 0.556 100 S N -1.320 114.423 115.700 0.071 0.000 2.561 100 S HA -0.000 4.468 4.470 -0.002 0.000 0.225 100 S C 0.878 175.492 174.600 0.024 0.000 0.977 100 S CA 0.250 58.455 58.200 0.008 0.000 0.926 100 S CB -1.115 62.069 63.200 -0.026 0.000 0.769 100 S HN 0.432 8.742 8.310 -0.000 0.000 0.533 101 T N -0.998 113.560 114.554 0.008 0.000 2.929 101 T HA 0.437 4.786 4.350 -0.002 0.000 0.284 101 T C 0.140 174.775 174.700 -0.108 0.000 1.014 101 T CA -0.744 61.361 62.100 0.008 0.000 1.051 101 T CB 1.379 70.198 68.868 -0.081 0.000 1.028 101 T HN -0.096 8.144 8.240 -0.000 0.000 0.485 102 D N 0.378 120.749 120.400 -0.048 0.000 2.144 102 D HA -0.072 4.567 4.640 -0.002 0.000 0.200 102 D C 1.896 178.023 176.300 -0.290 0.000 0.978 102 D CA 0.688 54.620 54.000 -0.114 0.000 0.833 102 D CB -0.066 40.757 40.800 0.038 0.000 0.961 102 D HN 0.375 8.745 8.370 -0.000 0.000 0.470 103 L N 1.176 121.985 121.223 -0.689 0.000 2.017 103 L HA -0.006 4.333 4.340 -0.002 0.000 0.208 103 L C 2.286 178.894 176.870 -0.437 0.000 1.073 103 L CA 1.995 56.329 54.840 -0.843 0.000 0.745 103 L CB -0.936 40.052 42.059 -1.785 0.000 0.894 103 L HN 0.030 8.260 8.230 -0.000 0.000 0.432 104 G N -0.955 107.720 108.800 -0.207 0.000 2.418 104 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.217 104 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.217 104 G C 1.798 176.711 174.900 0.022 0.000 1.158 104 G CA 0.760 45.936 45.100 0.126 0.000 0.771 104 G HN 0.417 8.707 8.290 -0.000 0.000 0.545 105 R N -0.295 120.169 120.500 -0.061 0.000 2.096 105 R HA 0.004 4.343 4.340 -0.002 0.000 0.235 105 R C 2.548 178.850 176.300 0.003 0.000 1.127 105 R CA 1.454 57.530 56.100 -0.040 0.000 0.968 105 R CB -0.282 29.864 30.300 -0.256 0.000 0.861 105 R HN 0.392 8.662 8.270 -0.000 0.000 0.440 106 M N 0.275 119.849 119.600 -0.042 0.000 2.099 106 M HA -0.164 4.315 4.480 -0.002 0.000 0.262 106 M C 2.269 178.562 176.300 -0.011 0.000 1.067 106 M CA 1.237 56.553 55.300 0.026 0.000 1.124 106 M CB -0.354 32.296 32.600 0.083 0.000 1.353 106 M HN 0.201 8.491 8.290 -0.000 0.000 0.410 107 L N 0.789 121.851 121.223 -0.268 0.000 2.012 107 L HA -0.161 4.177 4.340 -0.002 0.000 0.210 107 L C 2.095 178.837 176.870 -0.213 0.000 1.073 107 L CA 1.872 56.341 54.840 -0.618 0.000 0.748 107 L CB -0.647 41.034 42.059 -0.630 0.000 0.891 107 L HN 0.256 8.486 8.230 -0.000 0.000 0.431 108 L N -1.178 120.003 121.223 -0.069 0.000 2.083 108 L HA -0.208 4.131 4.340 -0.002 0.000 0.209 108 L C 2.331 179.213 176.870 0.020 0.000 1.083 108 L CA 1.659 56.501 54.840 0.003 0.000 0.752 108 L CB -0.968 41.135 42.059 0.074 0.000 0.899 108 L HN 0.314 8.544 8.230 -0.000 0.000 0.433 109 T N -1.139 113.446 114.554 0.053 0.000 2.737 109 T HA -0.141 4.207 4.350 -0.002 0.000 0.265 109 T C 2.139 176.903 174.700 0.107 0.000 1.038 109 T CA 1.599 63.751 62.100 0.086 0.000 1.144 109 T CB -0.064 68.862 68.868 0.097 0.000 0.866 109 T HN 0.271 8.511 8.240 -0.000 0.000 0.434 110 S N 1.135 116.905 115.700 0.117 0.000 2.383 110 S HA -0.003 4.465 4.470 -0.002 0.000 0.229 110 S C 2.023 176.784 174.600 0.269 0.000 1.030 110 S CA 0.865 59.182 58.200 0.196 0.000 1.002 110 S CB -0.404 62.914 63.200 0.197 0.000 0.829 110 S HN 0.408 8.718 8.310 -0.000 0.000 0.467 111 I N 0.958 121.621 120.570 0.155 0.000 2.252 111 I HA -0.124 4.045 4.170 -0.002 0.000 0.245 111 I C 2.101 178.285 176.117 0.112 0.000 1.102 111 I CA 0.888 62.275 61.300 0.145 0.000 1.385 111 I CB -0.342 37.700 38.000 0.070 0.000 1.064 111 I HN 0.149 8.359 8.210 -0.000 0.000 0.414 112 V N 0.837 120.805 119.914 0.090 0.000 2.515 112 V HA -0.230 3.889 4.120 -0.002 0.000 0.250 112 V C 2.391 178.528 176.094 0.072 0.000 1.058 112 V CA 1.724 64.078 62.300 0.089 0.000 1.064 112 V CB -0.756 31.135 31.823 0.114 0.000 0.675 112 V HN 0.388 8.578 8.190 -0.000 0.000 0.461 113 R N 0.412 120.961 120.500 0.083 0.000 2.193 113 R HA 0.048 4.387 4.340 -0.002 0.000 0.213 113 R C 1.855 178.118 176.300 -0.061 0.000 1.055 113 R CA 0.777 56.899 56.100 0.037 0.000 0.995 113 R CB -0.385 29.970 30.300 0.092 0.000 0.893 113 R HN 0.518 8.788 8.270 -0.000 0.000 0.459 114 G N 1.856 110.610 108.800 -0.077 0.000 3.325 114 G HA2 0.061 4.020 3.960 -0.002 0.000 0.242 114 G HA3 0.061 4.020 3.960 -0.002 0.000 0.242 114 G C 0.235 174.987 174.900 -0.246 0.000 1.120 114 G CA -0.301 44.534 45.100 -0.442 0.000 1.778 114 G HN 0.144 8.434 8.290 -0.000 0.000 0.610 115 I N 0.975 121.476 120.570 -0.116 0.000 2.821 115 I HA 0.008 4.177 4.170 -0.002 0.000 0.294 115 I C -1.804 174.430 176.117 0.196 0.000 1.210 115 I CA -1.286 60.048 61.300 0.056 0.000 1.430 115 I CB 0.880 38.901 38.000 0.036 0.000 1.356 115 I HN 0.063 8.273 8.210 -0.000 0.000 0.563 116 P HA -0.058 4.362 4.420 -0.000 0.000 0.263 116 P C -0.291 177.263 177.300 0.423 0.000 1.195 116 P CA -0.087 63.174 63.100 0.268 0.000 0.762 116 P CB 0.258 32.091 31.700 0.221 0.000 0.799 117 F N 3.733 123.733 119.950 0.085 0.000 2.589 117 F HA 0.065 4.591 4.527 -0.002 0.000 0.352 117 F C -0.019 175.780 175.800 -0.002 0.000 1.168 117 F CA -0.054 57.766 58.000 -0.299 0.000 1.353 117 F CB 0.233 38.766 39.000 -0.779 0.000 1.116 117 F HN 0.363 8.663 8.300 -0.000 0.000 0.608 118 W N 5.219 125.699 121.300 -1.367 0.000 1.738 118 W HA 0.404 5.064 4.660 -0.001 0.000 0.399 118 W C 0.737 176.625 176.519 -1.052 0.000 0.744 118 W CA -1.027 55.810 57.345 -0.846 0.000 1.695 118 W CB 0.483 29.664 29.460 -0.466 0.000 1.820 118 W HN 0.655 8.835 8.180 -0.000 0.000 0.262 119 G N 0.094 108.598 108.800 -0.494 0.000 4.098 119 G HA2 0.295 4.254 3.960 -0.002 0.000 0.300 119 G HA3 0.295 4.254 3.960 -0.002 0.000 0.300 119 G C 1.086 176.030 174.900 0.072 0.000 1.187 119 G CA 0.149 45.202 45.100 -0.077 0.000 0.964 119 G HN 0.480 8.770 8.290 -0.000 0.000 0.559 120 G N 0.527 109.306 108.800 -0.034 0.000 2.425 120 G HA2 0.002 3.961 3.960 -0.002 0.000 0.213 120 G HA3 0.002 3.961 3.960 -0.002 0.000 0.213 120 G C 1.138 176.063 174.900 0.043 0.000 1.201 120 G CA 0.779 45.877 45.100 -0.003 0.000 0.799 120 G HN 0.554 8.844 8.290 -0.000 0.000 0.534 121 S N 0.244 115.956 115.700 0.021 0.000 2.542 121 S HA 0.093 4.562 4.470 -0.002 0.000 0.287 121 S C 1.851 176.488 174.600 0.063 0.000 1.315 121 S CA 0.976 59.199 58.200 0.039 0.000 1.037 121 S CB 0.632 63.855 63.200 0.037 0.000 0.822 121 S HN 0.583 8.893 8.310 -0.000 0.000 0.513 122 T N 2.010 116.599 114.554 0.059 0.000 3.129 122 T HA 0.274 4.622 4.350 -0.002 0.000 0.251 122 T C 0.546 175.280 174.700 0.056 0.000 1.117 122 T CA 0.126 62.264 62.100 0.063 0.000 1.034 122 T CB -0.494 68.406 68.868 0.053 0.000 0.968 122 T HN 0.519 8.759 8.240 -0.000 0.000 0.526 123 I N 3.790 124.392 120.570 0.053 0.000 2.307 123 I HA 0.211 4.379 4.170 -0.002 0.000 0.287 123 I C 0.712 176.865 176.117 0.059 0.000 1.054 123 I CA -0.837 60.493 61.300 0.050 0.000 1.218 123 I CB 1.255 39.281 38.000 0.044 0.000 1.398 123 I HN 0.093 8.303 8.210 -0.000 0.000 0.475 124 D N 2.680 123.117 120.400 0.062 0.000 2.393 124 D HA -0.210 4.429 4.640 -0.002 0.000 0.220 124 D C 1.414 177.756 176.300 0.070 0.000 0.974 124 D CA 1.343 55.387 54.000 0.073 0.000 0.931 124 D CB -0.418 40.422 40.800 0.066 0.000 0.889 124 D HN 0.592 8.962 8.370 -0.000 0.000 0.512 125 T N -3.846 110.744 114.554 0.060 0.000 3.105 125 T HA 0.139 4.488 4.350 -0.002 0.000 0.253 125 T C 0.387 175.125 174.700 0.062 0.000 1.047 125 T CA -0.603 61.532 62.100 0.058 0.000 0.944 125 T CB 0.220 69.117 68.868 0.047 0.000 1.016 125 T HN 0.267 8.507 8.240 -0.000 0.000 0.544 126 E N 0.952 121.191 120.200 0.065 0.000 2.256 126 E HA 0.509 4.858 4.350 -0.002 0.000 0.268 126 E C -1.286 175.359 176.600 0.076 0.000 0.877 126 E CA -0.862 55.581 56.400 0.070 0.000 0.757 126 E CB 1.622 31.359 29.700 0.063 0.000 1.183 126 E HN 0.279 8.639 8.360 -0.000 0.000 0.418 127 L N 4.100 125.384 121.223 0.101 0.000 2.292 127 L HA 0.489 4.827 4.340 -0.002 0.000 0.284 127 L C -0.046 176.970 176.870 0.243 0.000 1.065 127 L CA -0.298 54.617 54.840 0.126 0.000 0.806 127 L CB 1.082 43.214 42.059 0.122 0.000 1.175 127 L HN 0.442 8.672 8.230 -0.000 0.000 0.431 128 K N 2.561 123.059 120.400 0.163 0.000 2.535 128 K HA 0.355 4.674 4.320 -0.002 0.000 0.251 128 K C -1.294 175.115 176.600 -0.318 0.000 0.942 128 K CA -0.643 55.642 56.287 -0.005 0.000 0.798 128 K CB 2.765 35.241 32.500 -0.041 0.000 1.267 128 K HN 0.294 8.544 8.250 -0.000 0.000 0.434 129 V N 5.843 125.165 119.914 -0.987 0.000 2.740 129 V HA 0.196 4.315 4.120 -0.002 0.000 0.303 129 V C 0.028 175.802 176.094 -0.533 0.000 1.054 129 V CA -0.033 61.495 62.300 -1.287 0.000 1.106 129 V CB 0.423 31.271 31.823 -1.625 0.000 0.957 129 V HN 0.642 8.832 8.190 -0.000 0.000 0.486 130 I N 6.236 126.607 120.570 -0.333 0.000 2.396 130 I HA 0.159 4.328 4.170 -0.002 0.000 0.289 130 I C 1.068 177.115 176.117 -0.117 0.000 1.056 130 I CA -0.192 61.032 61.300 -0.125 0.000 1.365 130 I CB 0.891 38.890 38.000 -0.002 0.000 1.407 130 I HN 0.711 8.921 8.210 -0.000 0.000 0.509 131 D N 2.548 122.885 120.400 -0.104 0.000 2.149 131 D HA -0.216 4.423 4.640 -0.002 0.000 0.194 131 D C 1.948 178.190 176.300 -0.097 0.000 1.001 131 D CA 2.034 55.965 54.000 -0.115 0.000 0.849 131 D CB -0.048 40.685 40.800 -0.112 0.000 0.939 131 D HN 0.679 9.049 8.370 -0.000 0.000 0.449 132 T N -2.652 111.871 114.554 -0.052 0.000 3.227 132 T HA -0.008 4.340 4.350 -0.002 0.000 0.257 132 T C 0.794 175.564 174.700 0.116 0.000 1.162 132 T CA 0.325 62.403 62.100 -0.036 0.000 1.051 132 T CB -0.482 68.412 68.868 0.043 0.000 0.953 132 T HN 0.157 8.397 8.240 -0.000 0.000 0.535 133 N N -0.131 118.609 118.700 0.068 0.000 2.273 133 N HA 0.331 5.069 4.740 -0.002 0.000 0.231 133 N C -0.749 174.793 175.510 0.053 0.000 1.134 133 N CA -0.528 52.585 53.050 0.105 0.000 0.856 133 N CB 0.400 38.939 38.487 0.088 0.000 1.068 133 N HN 0.351 8.731 8.380 -0.000 0.000 0.510 134 C N 0.245 119.552 119.300 0.011 0.000 3.213 134 C HA 0.665 5.124 4.460 -0.002 0.000 0.319 134 C C -0.431 174.522 174.990 -0.061 0.000 1.386 134 C CA -1.210 57.787 59.018 -0.034 0.000 1.494 134 C CB 1.074 28.769 27.740 -0.075 0.000 1.905 134 C HN 0.232 8.462 8.230 -0.000 0.000 0.456 135 I N -0.717 119.778 120.570 -0.124 0.000 3.042 135 I HA 0.603 4.772 4.170 -0.002 0.000 0.310 135 I C -1.118 174.901 176.117 -0.163 0.000 1.117 135 I CA -0.631 60.563 61.300 -0.176 0.000 1.003 135 I CB 1.813 39.623 38.000 -0.318 0.000 1.228 135 I HN 0.631 8.841 8.210 -0.000 0.000 0.443 136 N N 2.015 120.628 118.700 -0.145 0.000 2.444 136 N HA 0.513 5.252 4.740 -0.002 0.000 0.262 136 N C -1.211 174.367 175.510 0.114 0.000 0.974 136 N CA -0.653 52.382 53.050 -0.024 0.000 0.933 136 N CB 2.249 40.653 38.487 -0.139 0.000 1.137 136 N HN 0.340 8.720 8.380 -0.000 0.000 0.498 137 V N 4.043 124.009 119.914 0.086 0.000 2.383 137 V HA 0.320 4.438 4.120 -0.002 0.000 0.275 137 V C 0.545 176.607 176.094 -0.053 0.000 1.036 137 V CA -0.799 61.508 62.300 0.012 0.000 0.889 137 V CB 0.713 32.512 31.823 -0.040 0.000 0.985 137 V HN 0.563 8.753 8.190 -0.000 0.000 0.459 138 I N 4.478 124.919 120.570 -0.215 0.000 2.692 138 I HA 0.152 4.321 4.170 -0.002 0.000 0.284 138 I C 0.411 176.354 176.117 -0.290 0.000 1.159 138 I CA -0.004 60.951 61.300 -0.576 0.000 1.423 138 I CB 0.269 37.975 38.000 -0.490 0.000 1.380 138 I HN 0.546 8.756 8.210 -0.000 0.000 0.580 139 Q N 5.860 125.480 119.800 -0.300 0.000 2.240 139 Q HA 0.337 4.676 4.340 -0.002 0.000 0.260 139 Q C -1.707 174.207 176.000 -0.143 0.000 1.018 139 Q CA -1.996 53.709 55.803 -0.162 0.000 0.898 139 Q CB 0.696 29.359 28.738 -0.124 0.000 1.301 139 Q HN 0.281 8.551 8.270 -0.000 0.000 0.469 140 P HA -0.190 4.230 4.420 -0.000 0.000 0.217 140 P C 0.533 177.783 177.300 -0.084 0.000 1.151 140 P CA 1.629 64.682 63.100 -0.078 0.000 0.849 140 P CB 0.233 31.901 31.700 -0.054 0.000 0.787 141 D N -2.289 118.060 120.400 -0.084 0.000 2.349 141 D HA 0.042 4.680 4.640 -0.002 0.000 0.224 141 D C 1.434 177.679 176.300 -0.093 0.000 1.029 141 D CA 0.926 54.882 54.000 -0.074 0.000 0.879 141 D CB -0.571 40.196 40.800 -0.056 0.000 0.906 141 D HN 0.273 8.643 8.370 -0.000 0.000 0.528 142 G N 0.388 109.102 108.800 -0.144 0.000 2.195 142 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.224 142 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.224 142 G C 0.458 175.224 174.900 -0.224 0.000 0.990 142 G CA 0.367 45.359 45.100 -0.180 0.000 0.639 142 G HN 0.763 9.053 8.290 -0.000 0.000 0.514 143 S N -0.567 115.030 115.700 -0.171 0.000 2.634 143 S HA 0.715 5.184 4.470 -0.002 0.000 0.261 143 S C -0.199 174.249 174.600 -0.252 0.000 1.271 143 S CA -0.352 57.788 58.200 -0.100 0.000 0.985 143 S CB 1.281 64.457 63.200 -0.040 0.000 0.968 143 S HN 0.467 8.777 8.310 -0.000 0.000 0.568 144 Y N -0.161 120.115 120.300 -0.040 0.000 2.429 144 Y HA 0.576 5.122 4.550 -0.007 0.000 0.342 144 Y C 0.511 176.383 175.900 -0.047 0.000 1.004 144 Y CA -0.829 57.242 58.100 -0.049 0.000 1.075 144 Y CB 1.807 40.231 38.460 -0.061 0.000 1.214 144 Y HN 0.747 9.027 8.280 -0.000 0.000 0.455 145 R N 1.664 122.218 120.500 0.091 0.000 2.494 145 R HA 0.542 4.881 4.340 -0.002 0.000 0.305 145 R C -0.875 175.447 176.300 0.036 0.000 0.959 145 R CA -0.519 55.606 56.100 0.042 0.000 0.864 145 R CB 1.459 31.766 30.300 0.012 0.000 1.159 145 R HN 0.680 8.950 8.270 -0.000 0.000 0.446 146 S N 2.460 118.166 115.700 0.010 0.000 2.523 146 S HA 0.132 4.601 4.470 -0.002 0.000 0.275 146 S C -0.689 173.904 174.600 -0.012 0.000 1.281 146 S CA -0.393 57.795 58.200 -0.021 0.000 1.050 146 S CB 0.784 63.958 63.200 -0.045 0.000 0.937 146 S HN 0.689 8.999 8.310 -0.000 0.000 0.492 147 E N 3.221 123.403 120.200 -0.029 0.000 2.256 147 E HA 0.277 4.625 4.350 -0.002 0.000 0.268 147 E C -1.100 175.506 176.600 0.011 0.000 0.877 147 E CA -0.589 55.817 56.400 0.011 0.000 0.757 147 E CB 1.209 30.928 29.700 0.030 0.000 1.183 147 E HN 0.691 9.051 8.360 -0.000 0.000 0.418 148 E N 3.807 124.050 120.200 0.071 0.000 2.331 148 E HA 0.387 4.736 4.350 -0.002 0.000 0.272 148 E C -0.348 176.328 176.600 0.127 0.000 1.036 148 E CA -0.281 56.176 56.400 0.095 0.000 0.864 148 E CB 1.060 30.859 29.700 0.165 0.000 1.035 148 E HN 0.378 8.738 8.360 -0.000 0.000 0.408 149 L N -0.173 121.115 121.223 0.109 0.000 2.479 149 L HA 0.557 4.895 4.340 -0.002 0.000 0.255 149 L C -0.441 176.494 176.870 0.109 0.000 1.026 149 L CA -1.040 53.886 54.840 0.142 0.000 0.842 149 L CB 1.745 43.879 42.059 0.125 0.000 1.444 149 L HN 0.203 8.433 8.230 -0.000 0.000 0.409 150 N N 0.483 119.248 118.700 0.109 0.000 2.463 150 N HA 0.337 5.076 4.740 -0.002 0.000 0.183 150 N C -0.528 175.010 175.510 0.048 0.000 1.064 150 N CA 0.419 53.518 53.050 0.082 0.000 0.879 150 N CB 0.872 39.408 38.487 0.081 0.000 1.148 150 N HN 0.568 8.948 8.380 -0.000 0.000 0.451 151 L N 0.234 121.481 121.223 0.041 0.000 2.472 151 L HA 0.617 4.956 4.340 -0.002 0.000 0.260 151 L C -1.734 175.125 176.870 -0.019 0.000 0.963 151 L CA -0.754 54.089 54.840 0.004 0.000 0.829 151 L CB 2.284 44.383 42.059 0.065 0.000 1.348 151 L HN -0.267 7.963 8.230 -0.000 0.000 0.408 152 V N 5.435 125.275 119.914 -0.123 0.000 2.638 152 V HA 0.555 4.674 4.120 -0.002 0.000 0.306 152 V C -0.653 175.492 176.094 0.085 0.000 1.052 152 V CA -0.535 61.722 62.300 -0.071 0.000 0.885 152 V CB 1.925 33.511 31.823 -0.395 0.000 0.999 152 V HN 0.526 8.716 8.190 -0.000 0.000 0.424 153 I N 5.730 126.421 120.570 0.203 0.000 2.336 153 I HA 0.551 4.720 4.170 -0.002 0.000 0.292 153 I C -0.142 176.189 176.117 0.356 0.000 0.991 153 I CA -0.168 61.302 61.300 0.284 0.000 1.227 153 I CB 1.360 39.559 38.000 0.331 0.000 1.366 153 I HN 0.560 8.770 8.210 -0.000 0.000 0.466 154 I N 3.240 124.034 120.570 0.372 0.000 3.042 154 I HA 0.679 4.848 4.170 -0.002 0.000 0.310 154 I C 0.459 176.762 176.117 0.311 0.000 1.117 154 I CA -0.643 60.860 61.300 0.339 0.000 1.003 154 I CB 2.404 40.606 38.000 0.338 0.000 1.228 154 I HN 0.616 8.826 8.210 -0.000 0.000 0.443 155 G N 3.941 112.800 108.800 0.100 0.000 2.594 155 G HA2 0.353 4.311 3.960 -0.002 0.000 0.243 155 G HA3 0.353 4.311 3.960 -0.002 0.000 0.243 155 G C -2.634 172.354 174.900 0.147 0.000 1.229 155 G CA -0.783 44.332 45.100 0.026 0.000 0.843 155 G HN 0.436 8.726 8.290 -0.000 0.000 0.578 156 P HA 0.094 4.514 4.420 -0.000 0.000 0.273 156 P C 0.398 177.768 177.300 0.117 0.000 1.250 156 P CA -0.245 62.981 63.100 0.209 0.000 0.793 156 P CB 1.413 33.283 31.700 0.283 0.000 1.011 157 S N -0.162 115.588 115.700 0.083 0.000 2.307 157 S HA 0.357 4.825 4.470 -0.002 0.000 0.252 157 S C 1.888 176.497 174.600 0.016 0.000 1.204 157 S CA 0.336 58.553 58.200 0.028 0.000 1.018 157 S CB -0.601 62.611 63.200 0.020 0.000 1.077 157 S HN 0.461 8.771 8.310 -0.000 0.000 0.454 158 A N 0.754 123.588 122.820 0.024 0.000 1.892 158 A HA -0.080 4.238 4.320 -0.002 0.000 0.218 158 A C 1.032 178.511 177.584 -0.175 0.000 1.188 158 A CA 1.908 53.985 52.037 0.068 0.000 0.631 158 A CB -0.887 18.243 19.000 0.216 0.000 0.822 158 A HN 0.731 8.881 8.150 -0.000 0.000 0.447 159 D N -0.260 119.963 120.400 -0.296 0.000 2.374 159 D HA 0.308 4.946 4.640 -0.002 0.000 0.240 159 D C 0.986 177.093 176.300 -0.322 0.000 1.229 159 D CA -0.239 53.369 54.000 -0.654 0.000 0.895 159 D CB 0.073 40.639 40.800 -0.390 0.000 1.046 159 D HN 0.349 8.719 8.370 -0.000 0.000 0.498 160 I N 3.608 123.965 120.570 -0.356 0.000 2.315 160 I HA -0.260 3.909 4.170 -0.002 0.000 0.251 160 I C 1.891 177.939 176.117 -0.115 0.000 1.125 160 I CA 0.968 62.158 61.300 -0.183 0.000 1.392 160 I CB -0.104 37.687 38.000 -0.350 0.000 1.065 160 I HN 0.569 8.779 8.210 -0.000 0.000 0.424 161 I N -2.039 118.382 120.570 -0.248 0.000 3.904 161 I HA 0.126 4.295 4.170 -0.002 0.000 0.333 161 I C 0.935 176.817 176.117 -0.392 0.000 1.361 161 I CA -0.070 61.011 61.300 -0.366 0.000 1.116 161 I CB -0.156 37.711 38.000 -0.222 0.000 1.028 161 I HN 0.120 8.330 8.210 -0.000 0.000 0.398 162 Q N 2.450 122.168 119.800 -0.137 0.000 2.566 162 Q HA 0.281 4.620 4.340 -0.002 0.000 0.221 162 Q C -1.275 174.869 176.000 0.240 0.000 1.195 162 Q CA -0.678 55.104 55.803 -0.035 0.000 0.967 162 Q CB 0.403 29.131 28.738 -0.016 0.000 1.337 162 Q HN 0.251 8.521 8.270 -0.000 0.000 0.553 163 F N 2.749 122.787 119.950 0.147 0.000 2.384 163 F HA 0.379 4.904 4.527 -0.002 0.000 0.338 163 F C 0.521 176.430 175.800 0.182 0.000 1.103 163 F CA -0.996 57.136 58.000 0.220 0.000 1.157 163 F CB 0.879 40.088 39.000 0.349 0.000 1.167 163 F HN 0.490 8.790 8.300 -0.000 0.000 0.529 164 E N 0.380 120.807 120.200 0.379 0.000 2.388 164 E HA 0.337 4.686 4.350 -0.002 0.000 0.281 164 E C -2.119 174.601 176.600 0.201 0.000 1.046 164 E CA -0.975 55.572 56.400 0.245 0.000 0.825 164 E CB 1.283 31.074 29.700 0.152 0.000 1.243 164 E HN 0.550 8.910 8.360 -0.000 0.000 0.438 165 C N 3.417 122.806 119.300 0.149 0.000 2.246 165 C HA 0.566 5.024 4.460 -0.002 0.000 0.329 165 C C -0.389 174.655 174.990 0.091 0.000 1.221 165 C CA -0.121 58.977 59.018 0.133 0.000 1.697 165 C CB -1.074 26.748 27.740 0.137 0.000 2.312 165 C HN 0.665 8.895 8.230 -0.000 0.000 0.509 166 K N 4.198 124.662 120.400 0.107 0.000 2.395 166 K HA 0.905 5.223 4.320 -0.002 0.000 0.245 166 K C -0.918 175.719 176.600 0.062 0.000 1.017 166 K CA -0.350 55.966 56.287 0.048 0.000 0.852 166 K CB 1.863 34.355 32.500 -0.013 0.000 1.311 166 K HN 0.646 8.896 8.250 -0.000 0.000 0.452 167 S N -0.380 115.300 115.700 -0.033 0.000 2.615 167 S HA 0.541 5.009 4.470 -0.002 0.000 0.269 167 S C -1.082 173.411 174.600 -0.179 0.000 1.161 167 S CA -1.012 57.173 58.200 -0.024 0.000 0.817 167 S CB 0.295 63.587 63.200 0.154 0.000 1.131 167 S HN 0.407 8.717 8.310 -0.000 0.000 0.467 168 F N 1.683 121.696 119.950 0.105 0.000 2.427 168 F HA 0.598 5.123 4.527 -0.003 0.000 0.352 168 F C 1.417 177.274 175.800 0.094 0.000 1.100 168 F CA 0.480 58.516 58.000 0.061 0.000 1.191 168 F CB 0.730 39.753 39.000 0.038 0.000 1.128 168 F HN 0.948 9.248 8.300 -0.000 0.000 0.533 169 G N 1.127 110.072 108.800 0.240 0.000 2.562 169 G HA2 0.288 4.247 3.960 -0.002 0.000 0.275 169 G HA3 0.288 4.247 3.960 -0.002 0.000 0.275 169 G C -1.633 173.397 174.900 0.218 0.000 1.196 169 G CA -0.282 44.935 45.100 0.195 0.000 0.908 169 G HN 0.694 8.984 8.290 -0.000 0.000 0.524 170 H N -1.057 118.071 119.070 0.096 0.000 2.529 170 H HA 0.403 4.957 4.556 -0.002 0.000 0.348 170 H C 1.105 176.465 175.328 0.054 0.000 1.152 170 H CA -0.461 55.632 56.048 0.074 0.000 1.202 170 H CB 1.795 31.600 29.762 0.071 0.000 1.562 170 H HN 0.417 8.697 8.280 -0.000 0.000 0.515 171 E N 2.153 122.086 120.200 -0.446 0.000 2.097 171 E HA -0.151 4.198 4.350 -0.002 0.000 0.196 171 E C 1.471 178.039 176.600 -0.054 0.000 1.000 171 E CA 1.788 58.051 56.400 -0.228 0.000 0.804 171 E CB -0.026 29.502 29.700 -0.285 0.000 0.740 171 E HN 0.357 8.717 8.360 -0.000 0.000 0.454 172 V N -0.928 119.028 119.914 0.070 0.000 3.473 172 V HA 0.228 4.347 4.120 -0.002 0.000 0.253 172 V C 0.077 176.292 176.094 0.202 0.000 1.340 172 V CA -0.096 62.296 62.300 0.153 0.000 1.103 172 V CB 0.309 32.208 31.823 0.126 0.000 0.881 172 V HN 0.018 8.208 8.190 -0.000 0.000 0.451 173 L N 2.388 123.828 121.223 0.362 0.000 2.326 173 L HA 0.461 4.800 4.340 -0.002 0.000 0.278 173 L C -0.134 176.789 176.870 0.087 0.000 1.092 173 L CA -0.193 54.692 54.840 0.075 0.000 0.810 173 L CB 0.633 42.561 42.059 -0.219 0.000 1.153 173 L HN 0.197 8.427 8.230 -0.000 0.000 0.439 174 N N 4.500 123.223 118.700 0.038 0.000 2.918 174 N HA 0.190 4.928 4.740 -0.002 0.000 0.247 174 N C 1.073 176.630 175.510 0.078 0.000 1.117 174 N CA -0.122 52.980 53.050 0.086 0.000 1.005 174 N CB 1.100 39.652 38.487 0.108 0.000 1.297 174 N HN 0.601 8.981 8.380 -0.000 0.000 0.513 175 L N 0.103 121.383 121.223 0.094 0.000 2.129 175 L HA -0.196 4.142 4.340 -0.002 0.000 0.212 175 L C 2.196 179.177 176.870 0.185 0.000 1.087 175 L CA 1.411 56.333 54.840 0.135 0.000 0.757 175 L CB -0.695 41.474 42.059 0.183 0.000 0.896 175 L HN 0.436 8.666 8.230 -0.000 0.000 0.434 176 T N -3.821 110.836 114.554 0.172 0.000 3.129 176 T HA 0.052 4.401 4.350 -0.002 0.000 0.251 176 T C 1.431 176.247 174.700 0.193 0.000 1.117 176 T CA 0.022 62.228 62.100 0.177 0.000 1.034 176 T CB 0.058 69.015 68.868 0.148 0.000 0.968 176 T HN 0.322 8.562 8.240 -0.000 0.000 0.526 177 R N 1.052 121.699 120.500 0.245 0.000 2.616 177 R HA 0.245 4.584 4.340 -0.002 0.000 0.427 177 R C 0.338 176.967 176.300 0.548 0.000 1.030 177 R CA 0.023 56.372 56.100 0.415 0.000 1.133 177 R CB 0.316 30.837 30.300 0.369 0.000 1.444 177 R HN 0.413 8.683 8.270 -0.000 0.000 0.578 178 N N -0.893 118.016 118.700 0.348 0.000 2.241 178 N HA 0.075 4.813 4.740 -0.002 0.000 0.238 178 N C 0.898 176.567 175.510 0.266 0.000 1.244 178 N CA 0.440 53.631 53.050 0.235 0.000 0.880 178 N CB 1.111 39.561 38.487 -0.062 0.000 1.179 178 N HN 0.156 8.536 8.380 -0.000 0.000 0.513 179 G N 0.215 109.236 108.800 0.368 0.000 2.267 179 G HA2 -0.414 3.545 3.960 -0.002 0.000 0.257 179 G HA3 -0.414 3.545 3.960 -0.002 0.000 0.257 179 G C 0.592 175.666 174.900 0.290 0.000 0.998 179 G CA 0.625 45.927 45.100 0.336 0.000 0.620 179 G HN 0.291 8.581 8.290 -0.000 0.000 0.529 180 Y N 0.944 121.284 120.300 0.066 0.000 2.133 180 Y HA 0.337 4.885 4.550 -0.003 0.000 0.287 180 Y C 2.278 178.285 175.900 0.179 0.000 1.134 180 Y CA 1.849 60.022 58.100 0.121 0.000 1.133 180 Y CB -0.760 37.792 38.460 0.154 0.000 0.987 180 Y HN 1.479 9.759 8.280 -0.000 0.000 0.502 181 G N -0.546 108.458 108.800 0.339 0.000 2.730 181 G HA2 0.142 4.101 3.960 -0.002 0.000 0.686 181 G HA3 0.142 4.101 3.960 -0.002 0.000 0.686 181 G C -0.593 174.449 174.900 0.237 0.000 1.343 181 G CA -0.375 44.865 45.100 0.234 0.000 0.826 181 G HN 0.808 9.098 8.290 -0.000 0.000 0.582 182 S N -1.286 114.534 115.700 0.201 0.000 2.570 182 S HA 0.792 5.261 4.470 -0.002 0.000 0.270 182 S C -0.255 174.461 174.600 0.193 0.000 1.149 182 S CA -0.021 58.305 58.200 0.210 0.000 0.837 182 S CB 1.729 65.064 63.200 0.226 0.000 1.124 182 S HN 1.563 9.873 8.310 -0.000 0.000 0.465 183 T N 3.244 117.925 114.554 0.212 0.000 2.867 183 T HA 0.187 4.535 4.350 -0.002 0.000 0.297 183 T C -0.323 174.491 174.700 0.190 0.000 0.989 183 T CA 0.089 62.293 62.100 0.172 0.000 1.159 183 T CB -0.011 68.971 68.868 0.188 0.000 0.928 183 T HN 0.455 8.695 8.240 -0.000 0.000 0.538 184 Q N 2.362 122.213 119.800 0.085 0.000 2.241 184 Q HA 0.319 4.658 4.340 -0.002 0.000 0.254 184 Q C -1.059 174.931 176.000 -0.016 0.000 0.917 184 Q CA -0.326 55.542 55.803 0.109 0.000 0.919 184 Q CB 1.331 30.131 28.738 0.103 0.000 1.237 184 Q HN 0.641 8.911 8.270 -0.000 0.000 0.434 185 Y N 1.848 122.195 120.300 0.079 0.000 2.356 185 Y HA 0.413 4.961 4.550 -0.003 0.000 0.334 185 Y C 0.210 176.172 175.900 0.103 0.000 0.958 185 Y CA -0.474 57.682 58.100 0.093 0.000 1.196 185 Y CB 1.017 39.505 38.460 0.047 0.000 1.137 185 Y HN 0.420 8.700 8.280 -0.000 0.000 0.485 186 I N 4.933 125.636 120.570 0.221 0.000 2.307 186 I HA 0.345 4.514 4.170 -0.002 0.000 0.289 186 I C 0.032 176.305 176.117 0.261 0.000 1.021 186 I CA -0.643 60.782 61.300 0.209 0.000 1.224 186 I CB 0.718 38.800 38.000 0.137 0.000 1.376 186 I HN 0.444 8.654 8.210 -0.000 0.000 0.470 187 R N 6.032 126.691 120.500 0.264 0.000 2.316 187 R HA 0.447 4.786 4.340 -0.002 0.000 0.314 187 R C -1.035 175.430 176.300 0.274 0.000 1.069 187 R CA 0.078 56.344 56.100 0.276 0.000 0.959 187 R CB 0.585 31.040 30.300 0.258 0.000 0.987 187 R HN 0.442 8.712 8.270 -0.000 0.000 0.446 188 F N 0.748 120.689 119.950 -0.015 0.000 2.678 188 F HA 0.335 4.861 4.527 -0.002 0.000 0.308 188 F C -1.362 174.326 175.800 -0.187 0.000 1.118 188 F CA -0.586 57.120 58.000 -0.489 0.000 0.959 188 F CB 2.143 40.928 39.000 -0.360 0.000 1.305 188 F HN 0.357 8.657 8.300 -0.000 0.000 0.443 189 S N 4.931 119.689 115.700 -1.569 0.000 2.614 189 S HA 0.573 5.042 4.470 -0.002 0.000 0.288 189 S C -2.624 171.353 174.600 -1.038 0.000 1.137 189 S CA -1.335 56.500 58.200 -0.608 0.000 0.992 189 S CB 2.182 65.489 63.200 0.179 0.000 1.026 189 S HN 0.502 8.812 8.310 -0.000 0.000 0.486 190 P HA 0.261 4.681 4.420 -0.000 0.000 0.261 190 P C -0.135 177.042 177.300 -0.205 0.000 1.268 190 P CA 0.130 63.027 63.100 -0.337 0.000 0.833 190 P CB 0.208 31.776 31.700 -0.221 0.000 1.231 191 D N -0.593 119.721 120.400 -0.144 0.000 2.339 191 D HA 0.157 4.795 4.640 -0.002 0.000 0.217 191 D C 0.121 176.004 176.300 -0.695 0.000 1.050 191 D CA 0.565 54.373 54.000 -0.321 0.000 0.856 191 D CB 0.140 40.793 40.800 -0.246 0.000 0.922 191 D HN 0.209 8.579 8.370 -0.000 0.000 0.518 192 F N -0.792 119.060 119.950 -0.164 0.000 2.626 192 F HA 0.418 4.943 4.527 -0.003 0.000 0.311 192 F C 0.290 175.950 175.800 -0.233 0.000 1.088 192 F CA -0.808 57.065 58.000 -0.211 0.000 0.949 192 F CB 2.380 41.186 39.000 -0.322 0.000 1.322 192 F HN -0.455 7.845 8.300 -0.000 0.000 0.461 193 T N 0.639 115.140 114.554 -0.088 0.000 2.792 193 T HA 0.704 5.052 4.350 -0.002 0.000 0.303 193 T C -1.770 172.704 174.700 -0.376 0.000 1.310 193 T CA -0.596 61.356 62.100 -0.247 0.000 1.007 193 T CB 0.801 69.781 68.868 0.186 0.000 1.335 193 T HN 0.275 8.515 8.240 -0.000 0.000 0.504 194 F N 0.521 120.611 119.950 0.233 0.000 2.470 194 F HA 0.729 5.254 4.527 -0.002 0.000 0.329 194 F C 1.088 177.062 175.800 0.291 0.000 1.072 194 F CA -0.770 57.328 58.000 0.163 0.000 0.989 194 F CB 1.379 40.410 39.000 0.052 0.000 1.193 194 F HN 0.663 8.963 8.300 -0.000 0.000 0.481 195 G N 0.608 109.670 108.800 0.437 0.000 2.461 195 G HA2 0.702 4.661 3.960 -0.002 0.000 0.329 195 G HA3 0.702 4.661 3.960 -0.002 0.000 0.329 195 G C -1.705 173.413 174.900 0.364 0.000 1.170 195 G CA -0.632 44.706 45.100 0.397 0.000 0.935 195 G HN 0.625 8.915 8.290 -0.000 0.000 0.492 196 F N -2.010 118.033 119.950 0.155 0.000 2.668 196 F HA 0.684 5.210 4.527 -0.002 0.000 0.309 196 F C -0.810 175.082 175.800 0.153 0.000 1.117 196 F CA -1.518 56.548 58.000 0.110 0.000 0.951 196 F CB 1.369 40.416 39.000 0.078 0.000 1.323 196 F HN 0.413 8.713 8.300 -0.000 0.000 0.451 197 E N 1.051 121.381 120.200 0.217 0.000 2.156 197 E HA 0.399 4.748 4.350 -0.002 0.000 0.279 197 E C -1.333 175.415 176.600 0.246 0.000 0.965 197 E CA -0.819 55.674 56.400 0.155 0.000 0.789 197 E CB 2.086 31.864 29.700 0.130 0.000 1.098 197 E HN 0.567 8.927 8.360 -0.000 0.000 0.397 198 E N 1.121 121.447 120.200 0.210 0.000 2.195 198 E HA 0.177 4.526 4.350 -0.002 0.000 0.271 198 E C -0.879 175.788 176.600 0.111 0.000 0.923 198 E CA -0.768 55.712 56.400 0.133 0.000 0.790 198 E CB 1.251 30.871 29.700 -0.134 0.000 1.155 198 E HN 0.335 8.695 8.360 -0.000 0.000 0.402 199 S N 4.139 119.886 115.700 0.079 0.000 3.266 199 S HA 0.123 4.591 4.470 -0.002 0.000 0.209 199 S C 0.781 175.415 174.600 0.057 0.000 1.409 199 S CA -0.515 57.729 58.200 0.073 0.000 1.179 199 S CB -0.199 63.038 63.200 0.062 0.000 1.218 199 S HN 0.565 8.875 8.310 -0.000 0.000 0.514 200 L N 1.174 122.434 121.223 0.062 0.000 2.622 200 L HA 0.259 4.598 4.340 -0.002 0.000 0.233 200 L C 0.271 177.194 176.870 0.087 0.000 1.156 200 L CA 1.030 55.910 54.840 0.067 0.000 0.866 200 L CB -0.252 41.852 42.059 0.076 0.000 0.980 200 L HN 0.359 8.589 8.230 -0.000 0.000 0.448 201 E N -0.365 119.884 120.200 0.081 0.000 2.561 201 E HA 0.277 4.625 4.350 -0.002 0.000 0.225 201 E C 0.556 177.187 176.600 0.053 0.000 1.035 201 E CA -0.110 56.331 56.400 0.069 0.000 0.904 201 E CB 0.592 30.334 29.700 0.071 0.000 1.291 201 E HN 0.028 8.388 8.360 -0.000 0.000 0.444 202 V N 1.118 121.060 119.914 0.047 0.000 2.199 202 V HA -0.408 3.710 4.120 -0.002 0.000 0.113 202 V C 1.236 177.351 176.094 0.035 0.000 0.603 202 V CA 1.526 63.848 62.300 0.037 0.000 1.413 202 V CB -1.483 30.360 31.823 0.033 0.000 1.568 202 V HN 0.821 9.011 8.190 -0.000 0.000 0.958 203 D N 0.287 120.711 120.400 0.040 0.000 2.462 203 D HA -0.240 4.399 4.640 -0.002 0.000 0.172 203 D C 0.535 176.857 176.300 0.036 0.000 1.218 203 D CA 2.559 56.581 54.000 0.037 0.000 1.131 203 D CB -0.973 39.845 40.800 0.029 0.000 1.155 203 D HN 1.298 9.668 8.370 -0.000 0.000 0.443 204 T N 0.593 115.168 114.554 0.034 0.000 2.893 204 T HA 0.536 4.884 4.350 -0.002 0.000 0.324 204 T C -0.259 174.461 174.700 0.032 0.000 1.082 204 T CA -0.876 61.243 62.100 0.031 0.000 0.983 204 T CB 0.965 69.848 68.868 0.026 0.000 1.005 204 T HN 0.285 8.525 8.240 -0.000 0.000 0.475 205 N N 2.827 121.548 118.700 0.035 0.000 2.392 205 N HA 0.313 5.052 4.740 -0.002 0.000 0.283 205 N C -2.762 172.765 175.510 0.029 0.000 1.003 205 N CA -2.094 50.977 53.050 0.034 0.000 0.892 205 N CB 1.965 40.477 38.487 0.041 0.000 1.193 205 N HN 0.339 8.719 8.380 -0.000 0.000 0.487 206 P HA 0.090 4.510 4.420 -0.000 0.000 0.241 206 P C -0.157 177.155 177.300 0.020 0.000 1.760 206 P CA -0.345 62.767 63.100 0.021 0.000 1.081 206 P CB -0.109 31.601 31.700 0.018 0.000 1.975 207 L N 1.722 122.958 121.223 0.022 0.000 3.790 207 L HA -0.189 4.150 4.340 -0.002 0.000 0.602 207 L C 0.095 176.976 176.870 0.020 0.000 1.172 207 L CA 1.234 56.087 54.840 0.021 0.000 0.901 207 L CB -1.640 40.429 42.059 0.016 0.000 1.342 207 L HN 0.369 8.599 8.230 -0.000 0.000 0.820 208 L N -1.652 119.585 121.223 0.024 0.000 2.350 208 L HA 0.801 5.140 4.340 -0.002 0.000 0.260 208 L C 0.950 177.834 176.870 0.024 0.000 1.015 208 L CA -0.349 54.504 54.840 0.021 0.000 0.821 208 L CB 1.049 43.121 42.059 0.022 0.000 1.370 208 L HN 0.310 8.540 8.230 -0.000 0.000 0.416 209 G N 1.408 110.218 108.800 0.016 0.000 2.298 209 G HA2 0.315 4.274 3.960 -0.002 0.000 0.284 209 G HA3 0.315 4.274 3.960 -0.002 0.000 0.284 209 G C 0.604 175.515 174.900 0.020 0.000 1.013 209 G CA 0.411 45.519 45.100 0.012 0.000 1.365 209 G HN 1.085 9.375 8.290 -0.000 0.000 0.415 210 A N 2.722 125.563 122.820 0.035 0.000 2.483 210 A HA 0.619 4.937 4.320 -0.002 0.000 0.238 210 A C 1.291 178.900 177.584 0.042 0.000 1.070 210 A CA 0.299 52.373 52.037 0.061 0.000 0.770 210 A CB 0.397 19.445 19.000 0.079 0.000 1.008 210 A HN 1.339 9.489 8.150 -0.000 0.000 0.497 211 G N 1.372 110.224 108.800 0.087 0.000 2.484 211 G HA2 0.406 4.365 3.960 -0.002 0.000 0.235 211 G HA3 0.406 4.365 3.960 -0.002 0.000 0.235 211 G C -0.184 174.627 174.900 -0.147 0.000 1.282 211 G CA -0.388 44.678 45.100 -0.056 0.000 0.857 211 G HN 0.579 8.869 8.290 -0.000 0.000 0.571 212 K N 2.142 122.296 120.400 -0.410 0.000 2.354 212 K HA 0.292 4.610 4.320 -0.002 0.000 0.257 212 K C -0.810 175.386 176.600 -0.673 0.000 1.062 212 K CA -0.276 55.800 56.287 -0.351 0.000 0.971 212 K CB 0.797 33.173 32.500 -0.207 0.000 1.305 212 K HN 0.311 8.561 8.250 -0.000 0.000 0.449 213 F N 0.725 120.312 119.950 -0.604 0.000 2.403 213 F HA 0.539 5.065 4.527 -0.002 0.000 0.326 213 F C 0.875 176.179 175.800 -0.827 0.000 1.081 213 F CA -0.891 56.615 58.000 -0.822 0.000 1.041 213 F CB 1.135 39.494 39.000 -1.069 0.000 1.234 213 F HN 0.379 8.679 8.300 -0.000 0.000 0.503 214 A N 0.772 123.302 122.820 -0.482 0.000 2.337 214 A HA 0.643 4.962 4.320 -0.002 0.000 0.329 214 A C -0.469 177.270 177.584 0.258 0.000 1.146 214 A CA -0.620 51.246 52.037 -0.285 0.000 0.800 214 A CB 0.520 18.899 19.000 -1.035 0.000 1.220 214 A HN 0.678 8.828 8.150 -0.000 0.000 0.472 215 T N 1.743 116.588 114.554 0.485 0.000 2.901 215 T HA 0.150 4.498 4.350 -0.002 0.000 0.301 215 T C -0.033 174.953 174.700 0.476 0.000 1.012 215 T CA 0.218 62.633 62.100 0.525 0.000 1.135 215 T CB 0.400 69.561 68.868 0.487 0.000 0.936 215 T HN 0.643 8.883 8.240 -0.000 0.000 0.539 216 D N 3.314 123.971 120.400 0.428 0.000 2.343 216 D HA 0.132 4.771 4.640 -0.002 0.000 0.255 216 D C -1.532 174.959 176.300 0.318 0.000 1.187 216 D CA -2.248 52.015 54.000 0.437 0.000 0.875 216 D CB 1.564 42.516 40.800 0.253 0.000 1.136 216 D HN 0.119 8.489 8.370 -0.000 0.000 0.469 217 P HA -0.134 4.286 4.420 -0.000 0.000 0.217 217 P C 0.910 178.301 177.300 0.152 0.000 1.148 217 P CA 1.281 64.549 63.100 0.281 0.000 0.828 217 P CB 0.197 31.998 31.700 0.168 0.000 0.783 218 A N -0.780 122.037 122.820 -0.004 0.000 1.972 218 A HA -0.136 4.183 4.320 -0.002 0.000 0.219 218 A C 2.274 179.772 177.584 -0.143 0.000 1.169 218 A CA 1.573 53.493 52.037 -0.195 0.000 0.635 218 A CB -1.582 17.130 19.000 -0.480 0.000 0.810 218 A HN 0.061 8.211 8.150 -0.000 0.000 0.446 219 V N -0.458 119.441 119.914 -0.026 0.000 2.379 219 V HA -0.188 3.931 4.120 -0.002 0.000 0.245 219 V C 2.718 178.889 176.094 0.128 0.000 1.044 219 V CA 2.370 64.749 62.300 0.132 0.000 1.036 219 V CB -1.177 30.761 31.823 0.192 0.000 0.664 219 V HN 0.591 8.781 8.190 -0.000 0.000 0.453 220 T N 0.620 115.296 114.554 0.203 0.000 2.708 220 T HA -0.184 4.165 4.350 -0.002 0.000 0.266 220 T C 1.895 176.682 174.700 0.145 0.000 1.037 220 T CA 1.795 64.081 62.100 0.311 0.000 1.146 220 T CB -0.333 68.907 68.868 0.619 0.000 0.865 220 T HN 0.276 8.516 8.240 -0.000 0.000 0.435 221 L N 1.460 122.592 121.223 -0.151 0.000 2.056 221 L HA 0.140 4.479 4.340 -0.002 0.000 0.207 221 L C 2.632 179.250 176.870 -0.421 0.000 1.078 221 L CA 1.804 56.286 54.840 -0.598 0.000 0.749 221 L CB -1.118 40.370 42.059 -0.953 0.000 0.901 221 L HN 0.224 8.454 8.230 -0.000 0.000 0.433 222 A N -1.341 121.239 122.820 -0.399 0.000 1.940 222 A HA -0.330 3.988 4.320 -0.002 0.000 0.219 222 A C 2.257 179.627 177.584 -0.358 0.000 1.176 222 A CA 1.903 53.582 52.037 -0.596 0.000 0.631 222 A CB -1.120 17.247 19.000 -1.056 0.000 0.814 222 A HN 0.750 8.900 8.150 -0.000 0.000 0.446 223 H N -0.191 118.753 119.070 -0.211 0.000 2.289 223 H HA -0.143 4.411 4.556 -0.002 0.000 0.296 223 H C 1.960 177.218 175.328 -0.117 0.000 1.091 223 H CA 2.105 58.097 56.048 -0.093 0.000 1.274 223 H CB 0.079 29.882 29.762 0.068 0.000 1.364 223 H HN 0.405 8.685 8.280 -0.000 0.000 0.490 224 E N 0.447 120.716 120.200 0.114 0.000 2.150 224 E HA -0.116 4.233 4.350 -0.002 0.000 0.193 224 E C 2.549 179.126 176.600 -0.037 0.000 0.985 224 E CA 0.813 57.293 56.400 0.133 0.000 0.814 224 E CB -0.185 29.602 29.700 0.144 0.000 0.752 224 E HN 0.576 8.936 8.360 -0.000 0.000 0.466 225 L N 0.395 121.515 121.223 -0.172 0.000 2.201 225 L HA -0.109 4.230 4.340 -0.002 0.000 0.212 225 L C 2.428 179.175 176.870 -0.205 0.000 1.105 225 L CA 0.643 55.373 54.840 -0.183 0.000 0.775 225 L CB -0.366 41.531 42.059 -0.271 0.000 0.913 225 L HN 0.077 8.307 8.230 -0.000 0.000 0.440 226 I N -1.183 119.210 120.570 -0.294 0.000 2.202 226 I HA -0.270 3.899 4.170 -0.002 0.000 0.242 226 I C 2.657 178.426 176.117 -0.580 0.000 1.091 226 I CA 0.947 62.004 61.300 -0.405 0.000 1.368 226 I CB -0.489 37.263 38.000 -0.414 0.000 1.058 226 I HN 0.287 8.497 8.210 -0.000 0.000 0.410 227 H N 0.836 119.675 119.070 -0.386 0.000 2.352 227 H HA -0.101 4.454 4.556 -0.002 0.000 0.299 227 H C 2.367 177.617 175.328 -0.129 0.000 1.097 227 H CA 1.615 57.510 56.048 -0.256 0.000 1.311 227 H CB -0.365 29.362 29.762 -0.058 0.000 1.377 227 H HN 0.352 8.632 8.280 -0.000 0.000 0.504 228 A N 0.733 123.582 122.820 0.048 0.000 1.908 228 A HA -0.153 4.166 4.320 -0.002 0.000 0.218 228 A C 2.862 180.499 177.584 0.089 0.000 1.181 228 A CA 1.837 53.917 52.037 0.071 0.000 0.627 228 A CB -1.203 17.825 19.000 0.047 0.000 0.818 228 A HN 0.488 8.638 8.150 -0.000 0.000 0.445 229 G N -1.107 107.706 108.800 0.022 0.000 2.421 229 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.216 229 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.216 229 G C 1.369 176.435 174.900 0.277 0.000 1.171 229 G CA 1.174 46.358 45.100 0.141 0.000 0.775 229 G HN 0.802 9.092 8.290 -0.000 0.000 0.543 230 H N 0.092 119.241 119.070 0.132 0.000 2.352 230 H HA -0.001 4.554 4.556 -0.002 0.000 0.299 230 H C 2.966 178.376 175.328 0.137 0.000 1.097 230 H CA 0.982 57.083 56.048 0.089 0.000 1.311 230 H CB 0.089 29.871 29.762 0.034 0.000 1.377 230 H HN 0.236 8.516 8.280 -0.000 0.000 0.504 231 R N 0.423 121.082 120.500 0.266 0.000 2.115 231 R HA -0.045 4.294 4.340 -0.002 0.000 0.226 231 R C 2.232 178.656 176.300 0.206 0.000 1.100 231 R CA 0.655 56.879 56.100 0.206 0.000 0.980 231 R CB -0.034 30.366 30.300 0.167 0.000 0.875 231 R HN 0.306 8.576 8.270 -0.000 0.000 0.445 232 L N -0.710 120.646 121.223 0.220 0.000 2.217 232 L HA -0.117 4.222 4.340 -0.002 0.000 0.211 232 L C 1.022 177.913 176.870 0.035 0.000 1.107 232 L CA 1.021 55.941 54.840 0.134 0.000 0.783 232 L CB 0.003 42.131 42.059 0.115 0.000 0.919 232 L HN 0.193 8.423 8.230 -0.000 0.000 0.442 233 Y N -0.276 120.120 120.300 0.160 0.000 2.571 233 Y HA 0.267 4.815 4.550 -0.002 0.000 0.275 233 Y C 1.598 177.651 175.900 0.255 0.000 1.179 233 Y CA -0.038 58.185 58.100 0.205 0.000 1.242 233 Y CB -0.073 38.535 38.460 0.247 0.000 1.126 233 Y HN 0.175 8.455 8.280 -0.000 0.000 0.524 234 G N 2.049 111.021 108.800 0.286 0.000 2.341 234 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.292 234 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.292 234 G C 0.585 175.516 174.900 0.052 0.000 1.021 234 G CA 0.993 46.232 45.100 0.233 0.000 0.905 234 G HN 0.708 8.998 8.290 -0.000 0.000 0.508 235 I N -3.419 117.087 120.570 -0.107 0.000 3.833 235 I HA 0.751 4.919 4.170 -0.002 0.000 0.328 235 I C 0.979 176.836 176.117 -0.433 0.000 1.554 235 I CA -0.292 60.558 61.300 -0.750 0.000 1.116 235 I CB 0.353 38.077 38.000 -0.460 0.000 1.182 235 I HN 0.292 8.502 8.210 -0.000 0.000 0.459 236 A N 1.990 124.744 122.820 -0.110 0.000 2.406 236 A HA 0.583 4.902 4.320 -0.002 0.000 0.243 236 A C 0.091 177.626 177.584 -0.082 0.000 1.082 236 A CA -0.046 51.966 52.037 -0.042 0.000 0.786 236 A CB 0.370 19.415 19.000 0.076 0.000 1.029 236 A HN 0.355 8.505 8.150 -0.000 0.000 0.495 237 I N 2.312 122.750 120.570 -0.221 0.000 2.336 237 I HA 0.131 4.300 4.170 -0.002 0.000 0.292 237 I C 0.548 176.569 176.117 -0.160 0.000 0.991 237 I CA -0.731 60.336 61.300 -0.390 0.000 1.227 237 I CB 0.715 38.225 38.000 -0.816 0.000 1.366 237 I HN 0.719 8.929 8.210 -0.000 0.000 0.466 238 N N 9.481 128.139 118.700 -0.070 0.000 2.292 238 N HA -0.048 4.691 4.740 -0.002 0.000 0.258 238 N C -1.427 174.075 175.510 -0.014 0.000 1.261 238 N CA -0.631 52.420 53.050 0.003 0.000 0.845 238 N CB 1.099 39.615 38.487 0.048 0.000 1.064 238 N HN 0.379 8.759 8.380 -0.000 0.000 0.471 239 P HA -0.167 4.253 4.420 -0.000 0.000 0.221 239 P C 0.787 178.085 177.300 -0.003 0.000 1.145 239 P CA 1.026 64.124 63.100 -0.002 0.000 0.795 239 P CB 0.052 31.752 31.700 0.001 0.000 0.775 240 N N -0.147 118.554 118.700 0.001 0.000 2.459 240 N HA -0.095 4.643 4.740 -0.002 0.000 0.181 240 N C 0.525 176.020 175.510 -0.025 0.000 1.046 240 N CA 0.514 53.560 53.050 -0.007 0.000 0.904 240 N CB -0.397 38.093 38.487 0.004 0.000 0.964 240 N HN -0.025 8.355 8.380 -0.000 0.000 0.444 241 R N 1.735 122.224 120.500 -0.017 0.000 2.210 241 R HA 0.246 4.585 4.340 -0.002 0.000 0.338 241 R C 0.007 176.212 176.300 -0.160 0.000 1.062 241 R CA -0.365 55.703 56.100 -0.053 0.000 0.902 241 R CB 0.842 31.193 30.300 0.086 0.000 1.050 241 R HN 0.172 8.442 8.270 -0.000 0.000 0.461 242 V N 0.090 119.805 119.914 -0.332 0.000 3.158 242 V HA 0.780 4.899 4.120 -0.002 0.000 0.311 242 V C -0.862 174.821 176.094 -0.684 0.000 1.181 242 V CA -1.038 61.048 62.300 -0.357 0.000 1.054 242 V CB 2.387 34.126 31.823 -0.139 0.000 1.085 242 V HN 0.389 8.579 8.190 -0.000 0.000 0.446 243 F N -0.451 119.496 119.950 -0.004 0.000 2.601 243 F HA 0.651 5.177 4.527 -0.002 0.000 0.309 243 F C 0.133 175.897 175.800 -0.062 0.000 1.089 243 F CA -0.908 57.075 58.000 -0.028 0.000 0.940 243 F CB 2.249 41.227 39.000 -0.036 0.000 1.273 243 F HN 0.458 8.758 8.300 -0.000 0.000 0.450 244 K N 1.082 121.560 120.400 0.129 0.000 2.237 244 K HA 0.475 4.793 4.320 -0.002 0.000 0.270 244 K C 0.463 176.925 176.600 -0.230 0.000 1.015 244 K CA -0.219 56.051 56.287 -0.029 0.000 0.949 244 K CB 1.606 34.095 32.500 -0.018 0.000 0.976 244 K HN 0.573 8.823 8.250 -0.000 0.000 0.472 245 V N -1.282 118.392 119.914 -0.399 0.000 3.473 245 V HA -0.008 4.110 4.120 -0.002 0.000 0.253 245 V C 1.355 177.100 176.094 -0.582 0.000 1.340 245 V CA 0.253 61.954 62.300 -0.999 0.000 1.103 245 V CB -0.498 30.852 31.823 -0.788 0.000 0.881 245 V HN 0.822 9.012 8.190 -0.000 0.000 0.451 246 N N 1.003 119.563 118.700 -0.233 0.000 2.058 246 N HA -0.074 4.665 4.740 -0.002 0.000 0.180 246 N C 1.167 176.639 175.510 -0.063 0.000 1.097 246 N CA 2.424 55.420 53.050 -0.090 0.000 0.921 246 N CB 0.340 38.804 38.487 -0.038 0.000 1.033 246 N HN 0.503 8.883 8.380 -0.000 0.000 0.437 247 T N -0.964 113.560 114.554 -0.049 0.000 3.498 247 T HA 0.086 4.435 4.350 -0.002 0.000 0.159 247 T C -0.685 173.982 174.700 -0.055 0.000 0.832 247 T CA -0.500 61.582 62.100 -0.030 0.000 0.896 247 T CB -0.357 68.501 68.868 -0.017 0.000 1.098 247 T HN 0.596 8.836 8.240 -0.000 0.000 0.281 248 N N 1.383 120.025 118.700 -0.096 0.000 2.471 248 N HA 0.729 5.468 4.740 -0.002 0.000 0.288 248 N C -0.896 174.485 175.510 -0.215 0.000 1.220 248 N CA -0.606 52.354 53.050 -0.149 0.000 0.893 248 N CB 1.998 40.372 38.487 -0.189 0.000 1.256 248 N HN 0.527 8.907 8.380 -0.000 0.000 0.534 249 A N -0.353 122.328 122.820 -0.232 0.000 2.344 249 A HA 0.723 5.042 4.320 -0.002 0.000 0.307 249 A C -1.516 175.869 177.584 -0.332 0.000 1.151 249 A CA -0.547 51.364 52.037 -0.209 0.000 0.842 249 A CB 0.759 19.711 19.000 -0.080 0.000 1.350 249 A HN 0.631 8.781 8.150 -0.000 0.000 0.459 250 Y N -1.467 118.847 120.300 0.024 0.000 2.630 250 Y HA 0.475 5.024 4.550 -0.002 0.000 0.337 250 Y C 0.006 175.944 175.900 0.063 0.000 1.051 250 Y CA -0.862 57.295 58.100 0.094 0.000 1.121 250 Y CB 0.689 39.225 38.460 0.127 0.000 1.299 250 Y HN 0.718 8.998 8.280 -0.000 0.000 0.498 251 Y N 0.147 120.576 120.300 0.215 0.000 3.032 251 Y HA 0.111 4.660 4.550 -0.002 0.000 0.344 251 Y C 0.675 176.623 175.900 0.078 0.000 1.273 251 Y CA -0.390 57.775 58.100 0.108 0.000 1.588 251 Y CB -0.236 38.272 38.460 0.080 0.000 1.209 251 Y HN 0.725 9.005 8.280 -0.000 0.000 0.597 252 E N 3.360 123.581 120.200 0.036 0.000 2.596 252 E HA -0.291 4.058 4.350 -0.002 0.000 0.272 252 E C 0.024 176.583 176.600 -0.068 0.000 1.039 252 E CA 0.974 57.349 56.400 -0.040 0.000 0.804 252 E CB -1.619 28.019 29.700 -0.103 0.000 1.373 252 E HN 0.874 9.234 8.360 -0.000 0.000 0.404 253 M N -1.617 117.965 119.600 -0.030 0.000 2.653 253 M HA -0.259 4.220 4.480 -0.002 0.000 0.203 253 M C 0.483 176.757 176.300 -0.044 0.000 0.502 253 M CA 1.178 56.462 55.300 -0.027 0.000 0.601 253 M CB -1.996 30.590 32.600 -0.024 0.000 2.228 253 M HN 0.265 8.555 8.290 -0.000 0.000 0.711 254 S N 0.678 116.340 115.700 -0.063 0.000 3.033 254 S HA 0.375 4.844 4.470 -0.002 0.000 0.258 254 S C 0.732 175.351 174.600 0.033 0.000 1.207 254 S CA 0.362 58.529 58.200 -0.055 0.000 1.248 254 S CB -0.366 62.746 63.200 -0.147 0.000 0.932 254 S HN 0.590 8.900 8.310 -0.000 0.000 0.472 255 G N 0.762 109.565 108.800 0.004 0.000 2.389 255 G HA2 0.534 4.493 3.960 -0.002 0.000 0.328 255 G HA3 0.534 4.493 3.960 -0.002 0.000 0.328 255 G C -0.542 174.363 174.900 0.007 0.000 1.133 255 G CA -0.881 44.219 45.100 -0.001 0.000 0.891 255 G HN 0.490 8.780 8.290 -0.000 0.000 0.485 256 L N 2.166 123.396 121.223 0.012 0.000 2.536 256 L HA 0.175 4.514 4.340 -0.002 0.000 0.282 256 L C 0.441 177.306 176.870 -0.008 0.000 1.147 256 L CA 0.118 54.974 54.840 0.026 0.000 0.936 256 L CB -0.467 41.624 42.059 0.053 0.000 1.279 256 L HN 0.638 8.868 8.230 -0.000 0.000 0.461 257 E N 2.913 123.116 120.200 0.005 0.000 2.227 257 E HA 0.731 5.080 4.350 -0.002 0.000 0.268 257 E C -1.209 175.401 176.600 0.016 0.000 0.907 257 E CA -0.980 55.419 56.400 -0.001 0.000 0.786 257 E CB 2.668 32.362 29.700 -0.010 0.000 1.191 257 E HN 0.117 8.477 8.360 -0.000 0.000 0.411 258 V N 1.482 121.407 119.914 0.019 0.000 2.735 258 V HA 0.302 4.421 4.120 -0.002 0.000 0.310 258 V C 0.094 176.195 176.094 0.013 0.000 1.061 258 V CA -0.933 61.372 62.300 0.009 0.000 0.913 258 V CB 1.932 33.739 31.823 -0.027 0.000 1.005 258 V HN 0.904 9.094 8.190 -0.000 0.000 0.428 259 S N 3.432 119.129 115.700 -0.004 0.000 2.573 259 S HA 0.153 4.622 4.470 -0.002 0.000 0.277 259 S C 0.957 175.648 174.600 0.151 0.000 1.346 259 S CA -0.023 58.197 58.200 0.033 0.000 1.034 259 S CB 0.334 63.551 63.200 0.028 0.000 0.879 259 S HN 0.635 8.945 8.310 -0.000 0.000 0.528 260 F N 2.201 122.150 119.950 -0.002 0.000 2.065 260 F HA -0.090 4.436 4.527 -0.002 0.000 0.298 260 F C 2.348 178.189 175.800 0.069 0.000 1.112 260 F CA 2.188 60.270 58.000 0.136 0.000 1.212 260 F CB -1.194 37.841 39.000 0.058 0.000 0.975 260 F HN 0.898 9.198 8.300 -0.000 0.000 0.476 261 E N 0.442 120.773 120.200 0.219 0.000 2.070 261 E HA -0.232 4.117 4.350 -0.002 0.000 0.197 261 E C 2.057 178.807 176.600 0.249 0.000 1.004 261 E CA 2.059 58.545 56.400 0.143 0.000 0.805 261 E CB -0.375 29.382 29.700 0.095 0.000 0.744 261 E HN 0.416 8.776 8.360 -0.000 0.000 0.451 262 E N -0.003 120.295 120.200 0.163 0.000 2.072 262 E HA -0.101 4.247 4.350 -0.002 0.000 0.190 262 E C 2.372 178.945 176.600 -0.045 0.000 0.982 262 E CA 0.821 57.239 56.400 0.030 0.000 0.803 262 E CB -0.287 29.200 29.700 -0.355 0.000 0.755 262 E HN 0.380 8.740 8.360 -0.000 0.000 0.453 263 L N 0.826 122.055 121.223 0.011 0.000 2.046 263 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 263 L C 2.674 179.668 176.870 0.207 0.000 1.077 263 L CA 1.732 56.639 54.840 0.112 0.000 0.747 263 L CB -0.468 41.690 42.059 0.165 0.000 0.896 263 L HN 0.117 8.347 8.230 -0.000 0.000 0.432 264 R N -0.913 119.731 120.500 0.240 0.000 2.115 264 R HA -0.083 4.256 4.340 -0.002 0.000 0.230 264 R C 1.976 178.374 176.300 0.163 0.000 1.111 264 R CA 1.667 57.889 56.100 0.204 0.000 0.976 264 R CB -1.275 29.158 30.300 0.222 0.000 0.870 264 R HN 0.086 8.356 8.270 -0.000 0.000 0.445 265 T N 0.668 115.315 114.554 0.155 0.000 2.777 265 T HA -0.074 4.275 4.350 -0.002 0.000 0.266 265 T C 1.196 175.950 174.700 0.090 0.000 1.040 265 T CA 1.279 63.384 62.100 0.008 0.000 1.141 265 T CB -0.295 68.368 68.868 -0.340 0.000 0.868 265 T HN 0.188 8.428 8.240 -0.000 0.000 0.444 266 F N 1.653 121.664 119.950 0.101 0.000 2.113 266 F HA 0.244 4.769 4.527 -0.002 0.000 0.297 266 F C 1.656 177.546 175.800 0.151 0.000 1.103 266 F CA 1.069 59.201 58.000 0.221 0.000 1.248 266 F CB -0.772 38.420 39.000 0.320 0.000 0.999 266 F HN 0.386 8.686 8.300 -0.000 0.000 0.475 267 G N -0.331 108.595 108.800 0.210 0.000 2.645 267 G HA2 0.207 4.166 3.960 -0.002 0.000 0.239 267 G HA3 0.207 4.166 3.960 -0.002 0.000 0.239 267 G C 0.676 175.615 174.900 0.064 0.000 1.331 267 G CA 0.057 45.204 45.100 0.079 0.000 0.890 267 G HN 1.576 9.866 8.290 -0.000 0.000 0.572 268 G N -1.433 107.371 108.800 0.006 0.000 2.564 268 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.273 268 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.273 268 G C 0.827 175.780 174.900 0.087 0.000 1.242 268 G CA 2.174 47.292 45.100 0.030 0.000 0.951 268 G HN 2.610 10.900 8.290 -0.000 0.000 0.564 269 H N 0.531 119.630 119.070 0.048 0.000 2.267 269 H HA -0.125 4.430 4.556 -0.002 0.000 0.291 269 H C 2.208 177.537 175.328 0.001 0.000 1.094 269 H CA 2.933 58.998 56.048 0.028 0.000 1.227 269 H CB -0.338 29.476 29.762 0.085 0.000 1.351 269 H HN 0.474 8.754 8.280 -0.000 0.000 0.483 270 D N -0.079 120.446 120.400 0.210 0.000 2.354 270 D HA -0.083 4.556 4.640 -0.002 0.000 0.216 270 D C 1.969 178.326 176.300 0.095 0.000 0.970 270 D CA 0.957 55.115 54.000 0.263 0.000 0.905 270 D CB -0.538 40.575 40.800 0.522 0.000 0.903 270 D HN 0.617 8.987 8.370 -0.000 0.000 0.508 271 A N 1.254 124.071 122.820 -0.005 0.000 2.067 271 A HA -0.187 4.131 4.320 -0.002 0.000 0.219 271 A C 2.009 179.467 177.584 -0.210 0.000 1.158 271 A CA 1.249 53.257 52.037 -0.048 0.000 0.661 271 A CB -0.460 18.526 19.000 -0.022 0.000 0.801 271 A HN 0.380 8.530 8.150 -0.000 0.000 0.452 272 K N -1.294 118.865 120.400 -0.402 0.000 2.360 272 K HA -0.080 4.239 4.320 -0.002 0.000 0.201 272 K C 0.827 177.116 176.600 -0.518 0.000 1.046 272 K CA 1.280 57.268 56.287 -0.497 0.000 0.945 272 K CB -0.456 31.658 32.500 -0.643 0.000 0.750 272 K HN 0.323 8.573 8.250 -0.000 0.000 0.464 273 F N 1.901 121.706 119.950 -0.242 0.000 2.748 273 F HA 0.232 4.758 4.527 -0.002 0.000 0.299 273 F C 0.888 176.332 175.800 -0.594 0.000 1.154 273 F CA -0.249 57.588 58.000 -0.273 0.000 1.446 273 F CB -0.202 38.723 39.000 -0.125 0.000 1.112 273 F HN -0.117 8.183 8.300 -0.000 0.000 0.584 274 I N 0.736 120.977 120.570 -0.549 0.000 2.416 274 I HA 0.002 4.171 4.170 -0.002 0.000 0.288 274 I C 0.150 175.730 176.117 -0.896 0.000 1.051 274 I CA -0.462 60.176 61.300 -1.103 0.000 1.375 274 I CB 0.493 38.088 38.000 -0.675 0.000 1.407 274 I HN -0.113 8.097 8.210 -0.000 0.000 0.516 275 D N 4.258 123.976 120.400 -1.137 0.000 2.401 275 D HA 0.022 4.661 4.640 -0.002 0.000 0.254 275 D C 1.079 177.243 176.300 -0.225 0.000 1.192 275 D CA 0.349 54.084 54.000 -0.441 0.000 0.885 275 D CB 1.100 41.801 40.800 -0.166 0.000 1.147 275 D HN 0.438 8.808 8.370 -0.000 0.000 0.478 276 S N 2.693 118.311 115.700 -0.137 0.000 2.383 276 S HA -0.143 4.326 4.470 -0.002 0.000 0.229 276 S C 1.860 176.474 174.600 0.023 0.000 1.030 276 S CA 0.727 58.898 58.200 -0.048 0.000 1.002 276 S CB -0.176 62.998 63.200 -0.045 0.000 0.829 276 S HN 0.551 8.861 8.310 -0.000 0.000 0.467 277 L N 1.135 122.371 121.223 0.022 0.000 2.083 277 L HA -0.141 4.198 4.340 -0.002 0.000 0.209 277 L C 2.800 179.735 176.870 0.108 0.000 1.083 277 L CA 1.000 55.870 54.840 0.050 0.000 0.752 277 L CB -0.562 41.517 42.059 0.034 0.000 0.899 277 L HN 0.302 8.532 8.230 -0.000 0.000 0.433 278 Q N -0.005 119.895 119.800 0.166 0.000 2.050 278 Q HA -0.271 4.068 4.340 -0.002 0.000 0.202 278 Q C 2.058 178.377 176.000 0.532 0.000 0.980 278 Q CA 1.679 57.689 55.803 0.346 0.000 0.840 278 Q CB -0.210 28.823 28.738 0.491 0.000 0.898 278 Q HN 0.566 8.836 8.270 -0.000 0.000 0.424 279 E N 0.675 121.135 120.200 0.433 0.000 2.058 279 E HA -0.192 4.157 4.350 -0.002 0.000 0.194 279 E C 1.762 178.603 176.600 0.402 0.000 0.997 279 E CA 0.995 57.715 56.400 0.532 0.000 0.801 279 E CB 0.118 30.006 29.700 0.313 0.000 0.746 279 E HN 0.293 8.653 8.360 -0.000 0.000 0.450 280 N N 0.372 119.210 118.700 0.230 0.000 2.142 280 N HA -0.147 4.591 4.740 -0.002 0.000 0.186 280 N C 1.658 177.232 175.510 0.107 0.000 1.023 280 N CA 1.002 54.135 53.050 0.138 0.000 0.852 280 N CB -0.151 38.377 38.487 0.067 0.000 0.998 280 N HN 0.232 8.612 8.380 -0.000 0.000 0.424 281 E N 0.587 120.836 120.200 0.081 0.000 2.058 281 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 281 E C 1.926 178.479 176.600 -0.078 0.000 0.997 281 E CA 0.869 57.237 56.400 -0.054 0.000 0.801 281 E CB -0.522 29.074 29.700 -0.172 0.000 0.746 281 E HN 0.361 8.721 8.360 -0.000 0.000 0.450 282 F N 0.942 120.970 119.950 0.130 0.000 2.186 282 F HA -0.053 4.473 4.527 -0.002 0.000 0.299 282 F C 2.632 178.540 175.800 0.179 0.000 1.090 282 F CA 0.968 59.043 58.000 0.126 0.000 1.307 282 F CB -0.348 38.783 39.000 0.218 0.000 1.019 282 F HN -0.041 8.259 8.300 -0.000 0.000 0.489 283 R N 0.263 120.943 120.500 0.299 0.000 2.091 283 R HA -0.181 4.158 4.340 -0.002 0.000 0.238 283 R C 2.213 178.488 176.300 -0.042 0.000 1.136 283 R CA 1.250 57.283 56.100 -0.112 0.000 0.959 283 R CB -0.513 29.732 30.300 -0.091 0.000 0.856 283 R HN 0.255 8.525 8.270 -0.000 0.000 0.437 284 L N 0.242 121.463 121.223 -0.004 0.000 2.109 284 L HA -0.158 4.181 4.340 -0.002 0.000 0.207 284 L C 1.986 178.854 176.870 -0.003 0.000 1.086 284 L CA 1.623 56.437 54.840 -0.044 0.000 0.760 284 L CB -1.069 40.958 42.059 -0.052 0.000 0.910 284 L HN 0.229 8.459 8.230 -0.000 0.000 0.437 285 Y N -0.084 120.133 120.300 -0.139 0.000 2.128 285 Y HA -0.324 4.225 4.550 -0.002 0.000 0.284 285 Y C 2.381 178.170 175.900 -0.185 0.000 1.154 285 Y CA 2.093 60.058 58.100 -0.224 0.000 1.149 285 Y CB -0.540 37.680 38.460 -0.400 0.000 0.976 285 Y HN 0.192 8.472 8.280 -0.000 0.000 0.505 286 Y N -1.645 118.738 120.300 0.138 0.000 2.439 286 Y HA -0.152 4.397 4.550 -0.002 0.000 0.292 286 Y C 2.232 178.037 175.900 -0.158 0.000 1.130 286 Y CA 0.867 59.025 58.100 0.095 0.000 1.254 286 Y CB -1.187 37.489 38.460 0.361 0.000 1.000 286 Y HN 0.316 8.596 8.280 -0.000 0.000 0.554 287 Y N 1.367 121.413 120.300 -0.424 0.000 2.145 287 Y HA -0.277 4.272 4.550 -0.002 0.000 0.286 287 Y C 1.854 177.466 175.900 -0.480 0.000 1.145 287 Y CA 1.888 59.396 58.100 -0.987 0.000 1.148 287 Y CB -0.677 37.257 38.460 -0.876 0.000 0.981 287 Y HN 0.057 8.337 8.280 -0.000 0.000 0.507 288 N N -0.041 118.480 118.700 -0.299 0.000 2.223 288 N HA -0.146 4.592 4.740 -0.002 0.000 0.185 288 N C 1.639 176.998 175.510 -0.252 0.000 1.016 288 N CA 1.205 54.078 53.050 -0.294 0.000 0.863 288 N CB -0.126 38.226 38.487 -0.224 0.000 0.983 288 N HN 0.183 8.563 8.380 -0.000 0.000 0.429 289 K N 0.019 120.312 120.400 -0.179 0.000 2.057 289 K HA -0.009 4.309 4.320 -0.002 0.000 0.206 289 K C 1.577 178.182 176.600 0.008 0.000 1.050 289 K CA 0.804 57.065 56.287 -0.044 0.000 0.935 289 K CB -0.551 32.042 32.500 0.155 0.000 0.715 289 K HN 0.194 8.444 8.250 -0.000 0.000 0.439 290 F N 1.914 121.699 119.950 -0.275 0.000 2.171 290 F HA -0.098 4.428 4.527 -0.002 0.000 0.300 290 F C 2.222 177.763 175.800 -0.432 0.000 1.090 290 F CA 1.023 58.797 58.000 -0.375 0.000 1.293 290 F CB -0.421 38.446 39.000 -0.223 0.000 1.013 290 F HN 0.002 8.302 8.300 -0.000 0.000 0.486 291 K N 0.110 120.359 120.400 -0.251 0.000 2.009 291 K HA -0.186 4.133 4.320 -0.002 0.000 0.210 291 K C 1.729 178.201 176.600 -0.213 0.000 1.049 291 K CA 1.732 57.854 56.287 -0.274 0.000 0.929 291 K CB -0.428 31.873 32.500 -0.333 0.000 0.714 291 K HN 0.165 8.415 8.250 -0.000 0.000 0.440 292 D N 0.929 121.211 120.400 -0.196 0.000 2.158 292 D HA -0.174 4.465 4.640 -0.002 0.000 0.197 292 D C 1.905 178.081 176.300 -0.207 0.000 0.995 292 D CA 1.113 55.021 54.000 -0.153 0.000 0.846 292 D CB -0.222 40.511 40.800 -0.113 0.000 0.941 292 D HN 0.258 8.628 8.370 -0.000 0.000 0.456 293 I N 1.160 121.507 120.570 -0.371 0.000 2.202 293 I HA -0.219 3.950 4.170 -0.002 0.000 0.242 293 I C 2.564 178.407 176.117 -0.458 0.000 1.091 293 I CA 0.910 61.813 61.300 -0.662 0.000 1.368 293 I CB -0.238 37.064 38.000 -1.164 0.000 1.058 293 I HN -0.079 8.131 8.210 -0.000 0.000 0.410 294 A N 0.280 122.901 122.820 -0.332 0.000 1.933 294 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 294 A C 2.485 180.055 177.584 -0.023 0.000 1.175 294 A CA 2.176 54.126 52.037 -0.145 0.000 0.628 294 A CB -0.658 18.294 19.000 -0.079 0.000 0.814 294 A HN 0.402 8.552 8.150 -0.000 0.000 0.444 295 S N -0.328 115.337 115.700 -0.060 0.000 2.356 295 S HA -0.131 4.338 4.470 -0.002 0.000 0.223 295 S C 2.025 176.635 174.600 0.017 0.000 1.032 295 S CA 1.790 59.982 58.200 -0.013 0.000 1.005 295 S CB -0.681 62.498 63.200 -0.035 0.000 0.867 295 S HN 0.680 8.990 8.310 -0.000 0.000 0.449 296 T N 2.881 117.434 114.554 -0.003 0.000 2.803 296 T HA 0.020 4.369 4.350 -0.002 0.000 0.269 296 T C 1.681 176.447 174.700 0.111 0.000 1.052 296 T CA 0.899 63.036 62.100 0.061 0.000 1.136 296 T CB -0.401 68.522 68.868 0.090 0.000 0.864 296 T HN 0.240 8.480 8.240 -0.000 0.000 0.467 297 L N 0.658 121.946 121.223 0.109 0.000 2.109 297 L HA -0.045 4.294 4.340 -0.002 0.000 0.207 297 L C 2.355 179.352 176.870 0.213 0.000 1.086 297 L CA 1.206 56.162 54.840 0.194 0.000 0.760 297 L CB -0.534 41.646 42.059 0.202 0.000 0.910 297 L HN 0.360 8.590 8.230 -0.000 0.000 0.437 298 N N -0.033 118.770 118.700 0.171 0.000 2.171 298 N HA -0.126 4.612 4.740 -0.002 0.000 0.184 298 N C 1.060 176.614 175.510 0.074 0.000 1.021 298 N CA 0.710 53.829 53.050 0.114 0.000 0.854 298 N CB 0.099 38.634 38.487 0.080 0.000 0.994 298 N HN 0.237 8.617 8.380 -0.000 0.000 0.426 299 K N 0.835 121.276 120.400 0.068 0.000 2.546 299 K HA 0.219 4.538 4.320 -0.002 0.000 0.198 299 K C -0.398 176.241 176.600 0.064 0.000 1.028 299 K CA -0.297 56.023 56.287 0.055 0.000 1.150 299 K CB 0.516 33.043 32.500 0.046 0.000 0.876 299 K HN 0.124 8.374 8.250 -0.000 0.000 0.508 300 A N 1.065 123.933 122.820 0.080 0.000 2.306 300 A HA 0.328 4.647 4.320 -0.002 0.000 0.314 300 A C 0.494 178.119 177.584 0.069 0.000 1.164 300 A CA -0.503 51.583 52.037 0.082 0.000 0.822 300 A CB 0.699 19.762 19.000 0.106 0.000 1.130 300 A HN 0.001 8.151 8.150 -0.000 0.000 0.496 301 K N 0.717 121.154 120.400 0.062 0.000 2.494 301 K HA 0.239 4.557 4.320 -0.002 0.000 0.201 301 K C 0.405 177.038 176.600 0.054 0.000 1.338 301 K CA 0.585 56.903 56.287 0.052 0.000 0.935 301 K CB -0.118 32.408 32.500 0.042 0.000 1.514 301 K HN 0.555 8.805 8.250 -0.000 0.000 0.490 302 S N 0.856 116.591 115.700 0.058 0.000 2.690 302 S HA 0.629 5.098 4.470 -0.002 0.000 0.291 302 S C -0.397 174.252 174.600 0.083 0.000 1.138 302 S CA -0.648 57.590 58.200 0.062 0.000 1.013 302 S CB 1.573 64.805 63.200 0.055 0.000 1.053 302 S HN 0.269 8.579 8.310 -0.000 0.000 0.539 303 I N 1.048 121.675 120.570 0.095 0.000 2.775 303 I HA 0.472 4.640 4.170 -0.002 0.000 0.295 303 I C -1.672 174.537 176.117 0.154 0.000 1.287 303 I CA -0.767 60.620 61.300 0.146 0.000 1.029 303 I CB 1.562 39.648 38.000 0.143 0.000 1.282 303 I HN 0.379 8.589 8.210 -0.000 0.000 0.426 304 V N 6.404 126.436 119.914 0.197 0.000 2.617 304 V HA 0.999 5.118 4.120 -0.002 0.000 0.298 304 V C 0.650 176.861 176.094 0.194 0.000 1.048 304 V CA 0.634 63.014 62.300 0.133 0.000 0.964 304 V CB 0.777 32.631 31.823 0.051 0.000 1.004 304 V HN 1.134 9.324 8.190 -0.000 0.000 0.466 305 G N 2.983 111.854 108.800 0.118 0.000 2.247 305 G HA2 0.316 4.274 3.960 -0.002 0.000 0.229 305 G HA3 0.316 4.274 3.960 -0.002 0.000 0.229 305 G C 0.001 174.955 174.900 0.090 0.000 1.345 305 G CA 0.744 45.923 45.100 0.132 0.000 1.100 305 G HN 1.160 9.450 8.290 -0.000 0.000 0.473 306 T N -4.768 109.841 114.554 0.091 0.000 3.414 306 T HA 0.240 4.589 4.350 -0.002 0.000 0.143 306 T C 2.028 176.739 174.700 0.018 0.000 0.856 306 T CA 1.991 64.118 62.100 0.044 0.000 0.849 306 T CB -0.399 68.485 68.868 0.027 0.000 1.227 306 T HN 1.821 10.061 8.240 -0.000 0.000 0.278 307 T N 1.048 115.601 114.554 -0.001 0.000 3.496 307 T HA 0.601 4.950 4.350 -0.002 0.000 0.253 307 T C 0.368 174.984 174.700 -0.139 0.000 1.134 307 T CA 0.068 62.129 62.100 -0.066 0.000 0.993 307 T CB -0.886 67.938 68.868 -0.073 0.000 1.018 307 T HN 0.888 9.128 8.240 -0.000 0.000 0.571 308 A N 1.308 124.092 122.820 -0.061 0.000 2.359 308 A HA 0.691 5.010 4.320 -0.002 0.000 0.303 308 A C 0.135 177.711 177.584 -0.013 0.000 1.066 308 A CA -0.876 51.107 52.037 -0.090 0.000 0.730 308 A CB 1.415 20.422 19.000 0.012 0.000 1.211 308 A HN 0.503 8.653 8.150 -0.000 0.000 0.439 309 S N 1.973 117.673 115.700 -0.000 0.000 2.617 309 S HA 0.453 4.922 4.470 -0.002 0.000 0.283 309 S C 0.952 175.583 174.600 0.052 0.000 1.189 309 S CA -0.517 57.707 58.200 0.041 0.000 1.036 309 S CB 1.169 64.398 63.200 0.050 0.000 1.014 309 S HN 1.278 9.588 8.310 -0.000 0.000 0.522 310 L N 1.203 122.452 121.223 0.043 0.000 2.043 310 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 310 L C 2.622 179.524 176.870 0.052 0.000 1.075 310 L CA 2.335 57.197 54.840 0.038 0.000 0.752 310 L CB -1.171 40.922 42.059 0.056 0.000 0.891 310 L HN 0.977 9.207 8.230 -0.000 0.000 0.432 311 Q N -1.371 118.470 119.800 0.070 0.000 2.084 311 Q HA -0.294 4.044 4.340 -0.002 0.000 0.202 311 Q C 2.234 178.274 176.000 0.066 0.000 0.978 311 Q CA 2.251 58.100 55.803 0.078 0.000 0.844 311 Q CB -0.869 27.910 28.738 0.069 0.000 0.898 311 Q HN 0.668 8.938 8.270 -0.000 0.000 0.426 312 Y N -0.488 119.782 120.300 -0.049 0.000 2.224 312 Y HA -0.201 4.347 4.550 -0.002 0.000 0.289 312 Y C 1.810 177.605 175.900 -0.176 0.000 1.146 312 Y CA 1.903 59.949 58.100 -0.090 0.000 1.182 312 Y CB -0.013 38.389 38.460 -0.096 0.000 0.983 312 Y HN 0.138 8.418 8.280 -0.000 0.000 0.524 313 M N 0.235 119.750 119.600 -0.141 0.000 2.156 313 M HA -0.164 4.314 4.480 -0.002 0.000 0.264 313 M C 1.954 178.065 176.300 -0.314 0.000 1.067 313 M CA 1.644 56.701 55.300 -0.405 0.000 1.131 313 M CB -0.851 31.463 32.600 -0.475 0.000 1.368 313 M HN 0.236 8.526 8.290 -0.000 0.000 0.416 314 K N 0.078 120.456 120.400 -0.036 0.000 2.103 314 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 314 K C 1.821 178.406 176.600 -0.024 0.000 1.048 314 K CA 1.284 57.646 56.287 0.124 0.000 0.930 314 K CB -0.369 32.358 32.500 0.377 0.000 0.716 314 K HN 0.368 8.618 8.250 -0.000 0.000 0.444 315 N N 1.084 119.741 118.700 -0.072 0.000 2.270 315 N HA -0.115 4.624 4.740 -0.002 0.000 0.181 315 N C 1.643 176.976 175.510 -0.295 0.000 1.016 315 N CA 0.840 53.820 53.050 -0.117 0.000 0.870 315 N CB 0.208 38.603 38.487 -0.154 0.000 0.979 315 N HN -0.039 8.341 8.380 -0.000 0.000 0.431 316 V N 0.653 120.258 119.914 -0.515 0.000 2.358 316 V HA -0.160 3.958 4.120 -0.002 0.000 0.246 316 V C 1.718 177.495 176.094 -0.528 0.000 1.047 316 V CA 1.335 63.259 62.300 -0.626 0.000 1.035 316 V CB -0.693 30.590 31.823 -0.900 0.000 0.658 316 V HN 0.173 8.363 8.190 -0.000 0.000 0.452 317 F N 0.412 120.240 119.950 -0.205 0.000 2.558 317 F HA 0.044 4.569 4.527 -0.003 0.000 0.298 317 F C 2.232 177.935 175.800 -0.163 0.000 1.119 317 F CA 0.990 58.913 58.000 -0.128 0.000 1.451 317 F CB -0.539 38.474 39.000 0.022 0.000 1.091 317 F HN 0.095 8.395 8.300 -0.000 0.000 0.563 318 K N 0.664 120.961 120.400 -0.171 0.000 2.057 318 K HA -0.157 4.162 4.320 -0.002 0.000 0.206 318 K C 1.877 178.452 176.600 -0.041 0.000 1.050 318 K CA 1.442 57.593 56.287 -0.226 0.000 0.935 318 K CB -0.054 32.352 32.500 -0.156 0.000 0.715 318 K HN 0.150 8.400 8.250 -0.000 0.000 0.439 319 E N 0.896 121.056 120.200 -0.066 0.000 2.072 319 E HA -0.188 4.161 4.350 -0.002 0.000 0.191 319 E C 2.017 178.607 176.600 -0.017 0.000 0.985 319 E CA 0.951 57.331 56.400 -0.034 0.000 0.801 319 E CB -0.005 29.648 29.700 -0.078 0.000 0.750 319 E HN 0.341 8.701 8.360 -0.000 0.000 0.452 320 K N 0.348 120.685 120.400 -0.105 0.000 2.002 320 K HA -0.160 4.159 4.320 -0.002 0.000 0.209 320 K C 1.381 177.908 176.600 -0.121 0.000 1.048 320 K CA 1.322 57.489 56.287 -0.200 0.000 0.930 320 K CB -0.103 32.072 32.500 -0.540 0.000 0.714 320 K HN 0.092 8.342 8.250 -0.000 0.000 0.438 321 Y N 0.958 121.313 120.300 0.091 0.000 2.470 321 Y HA 0.274 4.823 4.550 -0.002 0.000 0.284 321 Y C 0.053 176.081 175.900 0.214 0.000 1.188 321 Y CA -0.089 58.085 58.100 0.123 0.000 1.269 321 Y CB -0.062 38.302 38.460 -0.159 0.000 1.094 321 Y HN 0.024 8.304 8.280 -0.000 0.000 0.518 322 L N 0.222 121.593 121.223 0.247 0.000 3.739 322 L HA -0.298 4.040 4.340 -0.002 0.000 0.442 322 L C -0.410 176.587 176.870 0.212 0.000 1.241 322 L CA 0.136 55.099 54.840 0.205 0.000 0.819 322 L CB -1.884 40.305 42.059 0.217 0.000 1.679 322 L HN 0.249 8.479 8.230 -0.000 0.000 0.889 323 L N -0.674 120.649 121.223 0.167 0.000 2.464 323 L HA 0.272 4.610 4.340 -0.002 0.000 0.264 323 L C 1.055 178.053 176.870 0.212 0.000 1.199 323 L CA 0.110 55.046 54.840 0.160 0.000 0.818 323 L CB 1.000 43.067 42.059 0.014 0.000 1.102 323 L HN 0.134 8.364 8.230 -0.000 0.000 0.473 324 S N 0.676 116.517 115.700 0.235 0.000 2.508 324 S HA 0.267 4.736 4.470 -0.002 0.000 0.284 324 S C -0.424 174.332 174.600 0.261 0.000 1.192 324 S CA -0.590 57.735 58.200 0.208 0.000 1.070 324 S CB 1.273 64.560 63.200 0.145 0.000 1.004 324 S HN 0.496 8.806 8.310 -0.000 0.000 0.493 325 E N 2.577 122.885 120.200 0.181 0.000 2.185 325 E HA 0.251 4.600 4.350 -0.002 0.000 0.261 325 E C -1.018 175.572 176.600 -0.017 0.000 0.879 325 E CA -0.760 55.665 56.400 0.042 0.000 0.756 325 E CB 0.761 30.484 29.700 0.039 0.000 1.152 325 E HN 0.708 9.068 8.360 -0.000 0.000 0.416 326 D N 2.168 122.533 120.400 -0.059 0.000 2.447 326 D HA 0.055 4.694 4.640 -0.002 0.000 0.265 326 D C 0.866 177.130 176.300 -0.060 0.000 1.250 326 D CA -0.278 53.698 54.000 -0.041 0.000 1.046 326 D CB 0.365 41.144 40.800 -0.035 0.000 1.095 326 D HN 0.215 8.585 8.370 -0.000 0.000 0.555 327 T N -0.917 113.614 114.554 -0.040 0.000 2.746 327 T HA -0.184 4.164 4.350 -0.002 0.000 0.267 327 T C 1.820 176.487 174.700 -0.055 0.000 1.039 327 T CA 1.683 63.760 62.100 -0.038 0.000 1.142 327 T CB -0.469 68.385 68.868 -0.023 0.000 0.866 327 T HN 0.480 8.720 8.240 -0.000 0.000 0.444 328 S N -0.440 115.224 115.700 -0.059 0.000 2.442 328 S HA 0.060 4.529 4.470 -0.002 0.000 0.236 328 S C 1.783 176.321 174.600 -0.103 0.000 1.007 328 S CA 1.589 59.750 58.200 -0.066 0.000 0.965 328 S CB -0.490 62.677 63.200 -0.055 0.000 0.773 328 S HN 0.812 9.122 8.310 -0.000 0.000 0.504 329 G N 0.530 109.236 108.800 -0.156 0.000 2.184 329 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.206 329 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.206 329 G C 0.046 174.687 174.900 -0.432 0.000 0.995 329 G CA 0.194 45.134 45.100 -0.266 0.000 0.651 329 G HN 0.690 8.980 8.290 -0.000 0.000 0.511 330 K N 0.217 120.447 120.400 -0.284 0.000 2.295 330 K HA 0.543 4.862 4.320 -0.002 0.000 0.270 330 K C -0.595 175.839 176.600 -0.277 0.000 1.011 330 K CA -0.354 55.789 56.287 -0.240 0.000 0.953 330 K CB 0.128 32.573 32.500 -0.092 0.000 0.956 330 K HN -0.060 8.190 8.250 -0.000 0.000 0.477 331 F N 1.250 121.205 119.950 0.009 0.000 2.458 331 F HA 0.336 4.862 4.527 -0.002 0.000 0.330 331 F C 0.201 175.999 175.800 -0.003 0.000 1.082 331 F CA -0.311 57.696 58.000 0.011 0.000 0.995 331 F CB 1.965 40.974 39.000 0.015 0.000 1.170 331 F HN 0.627 8.927 8.300 -0.000 0.000 0.478 332 S N 0.229 116.069 115.700 0.234 0.000 2.550 332 S HA 0.687 5.155 4.470 -0.002 0.000 0.270 332 S C -1.528 173.128 174.600 0.094 0.000 1.145 332 S CA -1.007 57.257 58.200 0.106 0.000 0.852 332 S CB 1.289 64.534 63.200 0.075 0.000 1.119 332 S HN 0.293 8.603 8.310 -0.000 0.000 0.465 333 V N 2.559 122.483 119.914 0.017 0.000 2.408 333 V HA 0.282 4.400 4.120 -0.002 0.000 0.267 333 V C 0.135 176.295 176.094 0.109 0.000 1.047 333 V CA -0.296 62.023 62.300 0.032 0.000 0.937 333 V CB 0.811 32.521 31.823 -0.188 0.000 0.999 333 V HN 0.965 9.155 8.190 -0.000 0.000 0.472 334 D N 4.606 125.117 120.400 0.186 0.000 2.352 334 D HA 0.072 4.711 4.640 -0.002 0.000 0.245 334 D C 1.100 177.565 176.300 0.276 0.000 1.224 334 D CA -0.375 53.743 54.000 0.196 0.000 0.879 334 D CB 1.232 42.135 40.800 0.170 0.000 1.057 334 D HN 0.462 8.832 8.370 -0.000 0.000 0.491 335 K N 4.192 124.762 120.400 0.283 0.000 2.173 335 K HA -0.168 4.151 4.320 -0.002 0.000 0.207 335 K C 1.671 178.400 176.600 0.215 0.000 1.046 335 K CA 0.944 57.395 56.287 0.273 0.000 0.929 335 K CB -0.252 32.298 32.500 0.083 0.000 0.720 335 K HN 0.438 8.688 8.250 -0.000 0.000 0.453 336 L N 0.556 121.872 121.223 0.155 0.000 2.072 336 L HA -0.089 4.249 4.340 -0.002 0.000 0.205 336 L C 1.749 178.697 176.870 0.130 0.000 1.079 336 L CA 1.787 56.694 54.840 0.111 0.000 0.752 336 L CB -0.592 41.513 42.059 0.077 0.000 0.906 336 L HN 0.242 8.472 8.230 -0.000 0.000 0.436 337 K N -1.015 119.484 120.400 0.166 0.000 2.057 337 K HA -0.237 4.082 4.320 -0.002 0.000 0.207 337 K C 2.003 178.721 176.600 0.197 0.000 1.049 337 K CA 1.626 58.012 56.287 0.165 0.000 0.931 337 K CB -0.370 32.245 32.500 0.191 0.000 0.714 337 K HN 0.149 8.399 8.250 -0.000 0.000 0.440 338 F N 2.902 122.937 119.950 0.143 0.000 2.069 338 F HA -0.261 4.265 4.527 -0.002 0.000 0.298 338 F C 1.671 177.520 175.800 0.082 0.000 1.113 338 F CA 1.772 59.852 58.000 0.132 0.000 1.214 338 F CB -0.274 38.828 39.000 0.169 0.000 0.978 338 F HN 0.007 8.307 8.300 -0.000 0.000 0.474 339 D N 0.385 120.820 120.400 0.059 0.000 2.182 339 D HA -0.165 4.474 4.640 -0.002 0.000 0.201 339 D C 2.201 178.448 176.300 -0.090 0.000 0.986 339 D CA 1.015 54.983 54.000 -0.054 0.000 0.847 339 D CB -0.220 40.608 40.800 0.046 0.000 0.942 339 D HN 0.281 8.651 8.370 -0.000 0.000 0.467 340 K N 0.181 120.548 120.400 -0.054 0.000 2.001 340 K HA -0.071 4.248 4.320 -0.002 0.000 0.208 340 K C 2.120 178.642 176.600 -0.130 0.000 1.048 340 K CA 0.240 56.486 56.287 -0.068 0.000 0.932 340 K CB -0.709 31.776 32.500 -0.024 0.000 0.715 340 K HN 0.164 8.414 8.250 -0.000 0.000 0.437 341 L N 0.438 121.585 121.223 -0.127 0.000 2.046 341 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 341 L C 2.338 179.050 176.870 -0.263 0.000 1.077 341 L CA 1.609 56.350 54.840 -0.164 0.000 0.747 341 L CB -0.757 41.277 42.059 -0.041 0.000 0.896 341 L HN 0.135 8.365 8.230 -0.000 0.000 0.432 342 Y N 0.503 120.495 120.300 -0.513 0.000 2.145 342 Y HA -0.300 4.249 4.550 -0.002 0.000 0.286 342 Y C 2.742 178.442 175.900 -0.333 0.000 1.145 342 Y CA 2.440 60.225 58.100 -0.526 0.000 1.148 342 Y CB -0.170 37.788 38.460 -0.836 0.000 0.981 342 Y HN 0.262 8.542 8.280 -0.000 0.000 0.507 343 K N -0.661 119.624 120.400 -0.191 0.000 2.057 343 K HA -0.193 4.126 4.320 -0.002 0.000 0.207 343 K C 2.134 178.539 176.600 -0.324 0.000 1.049 343 K CA 1.456 57.622 56.287 -0.202 0.000 0.931 343 K CB -0.188 32.240 32.500 -0.119 0.000 0.714 343 K HN 0.256 8.506 8.250 -0.000 0.000 0.440 344 M N 0.944 120.312 119.600 -0.387 0.000 2.065 344 M HA -0.184 4.295 4.480 -0.002 0.000 0.259 344 M C 2.191 177.964 176.300 -0.878 0.000 1.069 344 M CA 1.645 56.565 55.300 -0.634 0.000 1.110 344 M CB -0.674 31.584 32.600 -0.571 0.000 1.328 344 M HN 0.230 8.520 8.290 -0.000 0.000 0.405 345 L N -0.742 120.138 121.223 -0.571 0.000 2.131 345 L HA -0.191 4.148 4.340 -0.002 0.000 0.210 345 L C 2.345 179.162 176.870 -0.088 0.000 1.092 345 L CA 1.760 56.454 54.840 -0.245 0.000 0.759 345 L CB -0.824 41.107 42.059 -0.213 0.000 0.903 345 L HN 0.465 8.695 8.230 -0.000 0.000 0.435 346 T N -5.576 108.784 114.554 -0.323 0.000 2.990 346 T HA 0.113 4.462 4.350 -0.002 0.000 0.249 346 T C 1.470 176.083 174.700 -0.145 0.000 1.039 346 T CA -0.018 61.918 62.100 -0.274 0.000 1.036 346 T CB 0.344 68.868 68.868 -0.574 0.000 0.994 346 T HN 0.263 8.503 8.240 -0.000 0.000 0.489 347 E N 0.369 120.461 120.200 -0.180 0.000 2.332 347 E HA 0.358 4.707 4.350 -0.002 0.000 0.202 347 E C 1.811 178.335 176.600 -0.127 0.000 0.877 347 E CA 0.084 56.414 56.400 -0.116 0.000 0.979 347 E CB 0.404 30.041 29.700 -0.105 0.000 0.969 347 E HN 0.410 8.770 8.360 -0.000 0.000 0.495 348 I N 0.551 120.988 120.570 -0.223 0.000 2.400 348 I HA -0.107 4.062 4.170 -0.002 0.000 0.248 348 I C 0.292 176.324 176.117 -0.141 0.000 1.109 348 I CA 0.510 61.670 61.300 -0.233 0.000 1.425 348 I CB 0.089 37.870 38.000 -0.365 0.000 1.094 348 I HN 0.006 8.216 8.210 -0.000 0.000 0.425 349 Y N 3.188 123.399 120.300 -0.147 0.000 2.620 349 Y HA 0.245 4.794 4.550 -0.002 0.000 0.352 349 Y C 0.754 176.626 175.900 -0.047 0.000 1.140 349 Y CA -1.040 56.989 58.100 -0.117 0.000 1.529 349 Y CB -0.847 37.575 38.460 -0.064 0.000 1.321 349 Y HN 0.075 8.355 8.280 -0.000 0.000 0.501 350 T N -2.051 112.565 114.554 0.104 0.000 2.883 350 T HA 0.295 4.644 4.350 -0.002 0.000 0.301 350 T C 0.814 175.598 174.700 0.141 0.000 1.158 350 T CA -0.933 61.214 62.100 0.078 0.000 1.007 350 T CB 2.102 70.979 68.868 0.016 0.000 1.186 350 T HN 0.493 8.733 8.240 -0.000 0.000 0.499 351 E N 0.643 120.898 120.200 0.091 0.000 2.085 351 E HA -0.243 4.105 4.350 -0.002 0.000 0.194 351 E C 1.382 177.991 176.600 0.014 0.000 0.994 351 E CA 2.019 58.487 56.400 0.114 0.000 0.801 351 E CB -0.197 29.556 29.700 0.088 0.000 0.743 351 E HN 0.834 9.194 8.360 -0.000 0.000 0.453 352 D N -0.117 120.191 120.400 -0.154 0.000 2.116 352 D HA -0.204 4.435 4.640 -0.002 0.000 0.193 352 D C 1.598 177.879 176.300 -0.031 0.000 0.998 352 D CA 2.038 55.944 54.000 -0.155 0.000 0.836 352 D CB -0.193 40.508 40.800 -0.165 0.000 0.951 352 D HN 0.268 8.638 8.370 -0.000 0.000 0.449 353 N N -1.605 117.080 118.700 -0.025 0.000 2.188 353 N HA -0.109 4.629 4.740 -0.002 0.000 0.184 353 N C 1.497 176.997 175.510 -0.016 0.000 1.018 353 N CA 0.491 53.528 53.050 -0.021 0.000 0.858 353 N CB -0.148 38.269 38.487 -0.117 0.000 0.989 353 N HN 0.140 8.520 8.380 -0.000 0.000 0.426 354 F N 0.949 120.868 119.950 -0.053 0.000 2.171 354 F HA -0.111 4.416 4.527 -0.001 0.000 0.300 354 F C 2.193 177.989 175.800 -0.007 0.000 1.090 354 F CA 0.665 58.567 58.000 -0.163 0.000 1.293 354 F CB -0.449 38.481 39.000 -0.115 0.000 1.013 354 F HN -0.154 8.146 8.300 -0.000 0.000 0.486 355 V N -0.108 119.969 119.914 0.271 0.000 2.490 355 V HA -0.287 3.832 4.120 -0.002 0.000 0.250 355 V C 2.164 178.373 176.094 0.193 0.000 1.061 355 V CA 1.741 64.193 62.300 0.253 0.000 1.064 355 V CB -0.537 31.342 31.823 0.094 0.000 0.670 355 V HN 0.291 8.482 8.190 -0.000 0.000 0.461 356 K N -0.842 119.637 120.400 0.132 0.000 2.103 356 K HA -0.071 4.248 4.320 -0.002 0.000 0.204 356 K C 2.008 178.619 176.600 0.019 0.000 1.052 356 K CA 1.352 57.675 56.287 0.060 0.000 0.945 356 K CB -0.241 32.263 32.500 0.005 0.000 0.722 356 K HN 0.364 8.614 8.250 -0.000 0.000 0.443 357 F N -0.286 119.591 119.950 -0.123 0.000 2.259 357 F HA -0.054 4.472 4.527 -0.002 0.000 0.298 357 F C 1.695 177.462 175.800 -0.055 0.000 1.088 357 F CA 0.901 58.800 58.000 -0.169 0.000 1.358 357 F CB -0.107 38.675 39.000 -0.363 0.000 1.040 357 F HN -0.079 8.221 8.300 -0.000 0.000 0.505 358 F N 0.330 120.439 119.950 0.265 0.000 2.615 358 F HA 0.070 4.596 4.527 -0.002 0.000 0.297 358 F C 1.024 176.921 175.800 0.161 0.000 1.124 358 F CA 0.051 58.169 58.000 0.195 0.000 1.451 358 F CB -0.820 38.294 39.000 0.190 0.000 1.103 358 F HN -0.151 8.149 8.300 -0.000 0.000 0.569 359 K N 0.183 120.775 120.400 0.320 0.000 3.096 359 K HA -0.132 4.186 4.320 -0.002 0.000 0.266 359 K C -0.416 176.415 176.600 0.385 0.000 1.043 359 K CA 0.531 56.986 56.287 0.279 0.000 0.758 359 K CB -2.463 30.166 32.500 0.216 0.000 1.260 359 K HN 0.234 8.484 8.250 -0.000 0.000 0.481 360 V N -2.898 117.199 119.914 0.304 0.000 3.103 360 V HA 0.717 4.836 4.120 -0.002 0.000 0.318 360 V C 0.089 176.077 176.094 -0.177 0.000 1.114 360 V CA -1.444 60.981 62.300 0.209 0.000 1.020 360 V CB 1.837 33.786 31.823 0.209 0.000 1.085 360 V HN 0.148 8.338 8.190 -0.000 0.000 0.446 361 L N 2.450 123.368 121.223 -0.507 0.000 2.334 361 L HA 0.712 5.050 4.340 -0.002 0.000 0.277 361 L C -0.403 176.380 176.870 -0.144 0.000 1.075 361 L CA 0.472 54.924 54.840 -0.647 0.000 0.804 361 L CB 0.973 42.447 42.059 -0.974 0.000 1.174 361 L HN 1.047 9.277 8.230 -0.000 0.000 0.438 362 N N 1.166 119.698 118.700 -0.279 0.000 2.396 362 N HA 0.426 5.165 4.740 -0.002 0.000 0.275 362 N C -1.455 173.583 175.510 -0.785 0.000 1.218 362 N CA -0.840 51.867 53.050 -0.571 0.000 0.812 362 N CB 1.737 40.076 38.487 -0.247 0.000 1.592 362 N HN 0.596 8.976 8.380 -0.000 0.000 0.480 363 R N 1.093 120.895 120.500 -1.163 0.000 2.698 363 R HA 0.092 4.431 4.340 -0.002 0.000 0.266 363 R C -0.149 176.110 176.300 -0.069 0.000 1.026 363 R CA 0.261 56.041 56.100 -0.534 0.000 1.102 363 R CB 0.471 30.564 30.300 -0.345 0.000 0.978 363 R HN 0.505 8.775 8.270 -0.000 0.000 0.436 364 K N 0.390 120.806 120.400 0.026 0.000 2.305 364 K HA 0.009 4.328 4.320 -0.002 0.000 0.199 364 K C 0.547 177.329 176.600 0.304 0.000 1.047 364 K CA 1.067 57.423 56.287 0.114 0.000 0.976 364 K CB 0.348 32.871 32.500 0.039 0.000 0.765 364 K HN 0.676 8.926 8.250 -0.000 0.000 0.474 365 T N -1.799 112.897 114.554 0.237 0.000 2.893 365 T HA 0.169 4.517 4.350 -0.002 0.000 0.291 365 T C 0.211 174.735 174.700 -0.294 0.000 1.028 365 T CA -0.891 61.321 62.100 0.186 0.000 0.995 365 T CB 0.589 69.532 68.868 0.125 0.000 1.051 365 T HN 0.178 8.418 8.240 -0.000 0.000 0.470 366 Y N 4.153 123.983 120.300 -0.784 0.000 2.081 366 Y HA 0.115 4.664 4.550 -0.002 0.000 0.280 366 Y C 0.751 176.259 175.900 -0.654 0.000 1.163 366 Y CA 1.416 58.785 58.100 -1.217 0.000 1.135 366 Y CB -0.070 37.932 38.460 -0.764 0.000 0.970 366 Y HN 0.499 8.779 8.280 -0.000 0.000 0.498 367 L N 2.427 123.343 121.223 -0.512 0.000 2.410 367 L HA 0.034 4.372 4.340 -0.002 0.000 0.273 367 L C -0.331 176.040 176.870 -0.832 0.000 1.144 367 L CA -0.029 54.401 54.840 -0.685 0.000 0.863 367 L CB 0.025 41.739 42.059 -0.574 0.000 1.140 367 L HN 0.296 8.525 8.230 -0.000 0.000 0.463 368 N N 2.908 121.144 118.700 -0.773 0.000 2.501 368 N HA 0.228 4.966 4.740 -0.002 0.000 0.245 368 N C -0.098 175.127 175.510 -0.475 0.000 0.974 368 N CA -0.386 52.349 53.050 -0.525 0.000 0.941 368 N CB 0.716 39.003 38.487 -0.332 0.000 1.122 368 N HN 0.285 8.665 8.380 -0.000 0.000 0.507 369 F N 0.461 120.391 119.950 -0.034 0.000 2.732 369 F HA 0.306 4.832 4.527 -0.002 0.000 0.303 369 F C 0.286 176.085 175.800 -0.000 0.000 1.110 369 F CA -0.158 57.831 58.000 -0.018 0.000 1.355 369 F CB 0.421 39.417 39.000 -0.006 0.000 1.081 369 F HN 0.266 8.566 8.300 -0.000 0.000 0.565 370 D N 0.635 121.110 120.400 0.124 0.000 2.735 370 D HA 0.123 4.761 4.640 -0.002 0.000 0.291 370 D C -0.116 176.225 176.300 0.068 0.000 1.205 370 D CA -0.093 53.967 54.000 0.101 0.000 0.777 370 D CB 0.632 41.504 40.800 0.119 0.000 1.234 370 D HN 0.150 8.520 8.370 -0.000 0.000 0.520 371 K N 0.664 121.080 120.400 0.027 0.000 2.126 371 K HA 0.770 5.089 4.320 -0.002 0.000 0.257 371 K C -0.092 176.495 176.600 -0.022 0.000 1.007 371 K CA -0.462 55.830 56.287 0.009 0.000 0.928 371 K CB 1.642 34.120 32.500 -0.036 0.000 1.013 371 K HN 0.234 8.484 8.250 -0.000 0.000 0.473 372 A N 0.931 123.721 122.820 -0.049 0.000 2.612 372 A HA 0.591 4.910 4.320 -0.002 0.000 0.293 372 A C -1.573 175.775 177.584 -0.394 0.000 1.075 372 A CA -0.729 51.147 52.037 -0.268 0.000 0.680 372 A CB 1.465 20.284 19.000 -0.301 0.000 1.279 372 A HN 0.325 8.475 8.150 -0.000 0.000 0.411 373 V N 0.631 120.125 119.914 -0.700 0.000 2.789 373 V HA 0.786 4.905 4.120 -0.002 0.000 0.311 373 V C -1.342 174.232 176.094 -0.866 0.000 1.073 373 V CA -0.408 61.541 62.300 -0.585 0.000 0.921 373 V CB 1.501 33.108 31.823 -0.360 0.000 1.009 373 V HN 0.741 8.931 8.190 -0.000 0.000 0.426 374 F N 1.842 121.742 119.950 -0.083 0.000 2.578 374 F HA 0.661 5.186 4.527 -0.002 0.000 0.311 374 F C -0.113 175.666 175.800 -0.035 0.000 1.094 374 F CA -1.027 56.957 58.000 -0.027 0.000 0.923 374 F CB 2.056 41.096 39.000 0.067 0.000 1.230 374 F HN 0.315 8.615 8.300 -0.000 0.000 0.450 375 K N 3.909 124.357 120.400 0.080 0.000 2.234 375 K HA 0.716 5.035 4.320 -0.002 0.000 0.282 375 K C -0.895 175.612 176.600 -0.156 0.000 1.039 375 K CA -0.214 55.936 56.287 -0.228 0.000 0.928 375 K CB 0.435 32.794 32.500 -0.235 0.000 1.039 375 K HN 0.660 8.910 8.250 -0.000 0.000 0.470 376 I N -0.416 119.998 120.570 -0.260 0.000 3.239 376 I HA 0.647 4.816 4.170 -0.002 0.000 0.314 376 I C -1.149 174.846 176.117 -0.203 0.000 1.126 376 I CA -1.155 60.037 61.300 -0.179 0.000 0.973 376 I CB 2.420 40.403 38.000 -0.028 0.000 1.252 376 I HN 0.475 8.685 8.210 -0.000 0.000 0.463 377 N N 1.715 120.326 118.700 -0.149 0.000 2.594 377 N HA 0.380 5.119 4.740 -0.002 0.000 0.280 377 N C -0.693 174.734 175.510 -0.139 0.000 1.156 377 N CA -0.381 52.584 53.050 -0.142 0.000 0.831 377 N CB 1.482 39.901 38.487 -0.113 0.000 1.379 377 N HN 0.729 9.109 8.380 -0.000 0.000 0.536 378 I N 2.591 123.026 120.570 -0.226 0.000 3.419 378 I HA 0.035 4.203 4.170 -0.002 0.000 0.286 378 I C 1.847 177.846 176.117 -0.198 0.000 1.268 378 I CA 0.442 61.527 61.300 -0.359 0.000 1.414 378 I CB 0.223 37.782 38.000 -0.735 0.000 1.074 378 I HN 0.398 8.608 8.210 -0.000 0.000 0.457 379 V N 1.146 120.984 119.914 -0.128 0.000 2.307 379 V HA -0.095 4.024 4.120 -0.002 0.000 0.245 379 V C -1.329 174.748 176.094 -0.028 0.000 1.045 379 V CA 1.042 63.302 62.300 -0.068 0.000 1.024 379 V CB -1.655 30.136 31.823 -0.053 0.000 0.651 379 V HN 0.276 8.466 8.190 -0.000 0.000 0.449 380 P HA 0.079 4.499 4.420 -0.000 0.000 0.267 380 P C 0.217 177.527 177.300 0.017 0.000 1.205 380 P CA 0.175 63.273 63.100 -0.003 0.000 0.765 380 P CB 0.406 32.100 31.700 -0.009 0.000 0.828 381 K N 2.232 122.647 120.400 0.025 0.000 2.152 381 K HA -0.134 4.185 4.320 -0.002 0.000 0.206 381 K C 1.553 178.176 176.600 0.038 0.000 1.048 381 K CA 1.465 57.775 56.287 0.038 0.000 0.933 381 K CB -1.080 31.442 32.500 0.036 0.000 0.721 381 K HN 0.386 8.636 8.250 -0.000 0.000 0.447 382 V N -1.057 118.875 119.914 0.029 0.000 3.141 382 V HA -0.084 4.035 4.120 -0.002 0.000 0.265 382 V C 1.105 177.224 176.094 0.041 0.000 1.126 382 V CA 1.410 63.727 62.300 0.029 0.000 1.141 382 V CB -0.419 31.415 31.823 0.018 0.000 0.743 382 V HN 0.179 8.369 8.190 -0.000 0.000 0.492 383 N N -1.094 117.636 118.700 0.050 0.000 2.439 383 N HA 0.186 4.925 4.740 -0.002 0.000 0.176 383 N C -0.210 175.386 175.510 0.144 0.000 1.029 383 N CA 0.700 53.800 53.050 0.083 0.000 0.886 383 N CB 0.479 38.993 38.487 0.046 0.000 1.057 383 N HN 0.715 9.095 8.380 -0.000 0.000 0.437 384 Y N -0.029 120.206 120.300 -0.108 0.000 2.474 384 Y HA 0.342 4.891 4.550 -0.001 0.000 0.326 384 Y C -1.176 174.642 175.900 -0.136 0.000 1.160 384 Y CA -1.061 56.910 58.100 -0.215 0.000 1.056 384 Y CB 0.967 39.153 38.460 -0.458 0.000 1.330 384 Y HN -0.046 8.234 8.280 -0.000 0.000 0.447 385 T N 2.358 116.785 114.554 -0.212 0.000 2.916 385 T HA 0.461 4.810 4.350 -0.002 0.000 0.292 385 T C 0.924 175.509 174.700 -0.191 0.000 1.064 385 T CA -0.731 61.325 62.100 -0.073 0.000 1.011 385 T CB 1.453 70.322 68.868 0.001 0.000 1.152 385 T HN 0.637 8.877 8.240 -0.000 0.000 0.510 386 I N -0.267 120.249 120.570 -0.090 0.000 2.264 386 I HA -0.164 4.005 4.170 -0.002 0.000 0.248 386 I C 1.669 177.553 176.117 -0.390 0.000 1.111 386 I CA 1.700 62.856 61.300 -0.240 0.000 1.382 386 I CB -0.324 37.465 38.000 -0.352 0.000 1.060 386 I HN 0.686 8.896 8.210 -0.000 0.000 0.418 387 Y N -0.508 119.781 120.300 -0.019 0.000 2.476 387 Y HA -0.028 4.521 4.550 -0.002 0.000 0.283 387 Y C 1.710 177.590 175.900 -0.033 0.000 1.109 387 Y CA 0.433 58.536 58.100 0.006 0.000 1.246 387 Y CB 0.105 38.579 38.460 0.023 0.000 1.068 387 Y HN 0.106 8.386 8.280 -0.000 0.000 0.552 388 D N -1.378 119.017 120.400 -0.009 0.000 2.469 388 D HA 0.221 4.860 4.640 -0.002 0.000 0.213 388 D C 1.510 177.664 176.300 -0.244 0.000 1.135 388 D CA 0.914 54.882 54.000 -0.054 0.000 0.834 388 D CB 0.570 41.368 40.800 -0.004 0.000 1.009 388 D HN 0.309 8.679 8.370 -0.000 0.000 0.507 389 G N 1.574 109.981 108.800 -0.654 0.000 2.583 389 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.292 389 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.292 389 G C 0.728 175.083 174.900 -0.908 0.000 1.203 389 G CA 0.265 44.540 45.100 -1.376 0.000 0.987 389 G HN 0.213 8.503 8.290 -0.000 0.000 0.554 390 F N 1.951 121.786 119.950 -0.192 0.000 2.456 390 F HA 0.185 4.711 4.527 -0.002 0.000 0.298 390 F C 1.958 177.795 175.800 0.062 0.000 1.104 390 F CA 1.000 59.049 58.000 0.082 0.000 1.435 390 F CB 0.016 39.184 39.000 0.279 0.000 1.078 390 F HN 0.154 8.454 8.300 -0.000 0.000 0.546 391 N N 2.197 121.025 118.700 0.213 0.000 3.303 391 N HA 0.118 4.857 4.740 -0.002 0.000 0.304 391 N C -0.432 175.125 175.510 0.077 0.000 1.302 391 N CA 0.094 53.242 53.050 0.163 0.000 1.213 391 N CB -0.166 38.433 38.487 0.187 0.000 1.481 391 N HN 0.192 8.572 8.380 -0.000 0.000 0.546 392 L N 1.564 122.826 121.223 0.065 0.000 2.628 392 L HA -0.013 4.326 4.340 -0.002 0.000 0.274 392 L C 1.464 178.353 176.870 0.032 0.000 1.209 392 L CA -0.058 54.803 54.840 0.035 0.000 0.930 392 L CB -0.072 42.010 42.059 0.039 0.000 1.183 392 L HN 0.242 8.472 8.230 -0.000 0.000 0.492 393 R N 3.867 124.381 120.500 0.024 0.000 2.734 393 R HA 0.001 4.340 4.340 -0.002 0.000 0.266 393 R C 0.426 176.733 176.300 0.012 0.000 1.044 393 R CA -0.099 56.010 56.100 0.015 0.000 1.128 393 R CB 0.126 30.433 30.300 0.011 0.000 1.010 393 R HN 0.857 9.127 8.270 -0.000 0.000 0.461 394 N N -0.029 118.674 118.700 0.006 0.000 2.754 394 N HA -0.204 4.535 4.740 -0.002 0.000 0.248 394 N C -1.261 174.254 175.510 0.009 0.000 1.093 394 N CA 1.077 54.130 53.050 0.005 0.000 0.699 394 N CB -0.475 38.014 38.487 0.003 0.000 1.016 394 N HN 0.939 9.319 8.380 -0.000 0.000 0.552 395 T N -3.048 111.514 114.554 0.013 0.000 2.816 395 T HA 0.355 4.703 4.350 -0.002 0.000 0.299 395 T C 0.659 175.368 174.700 0.016 0.000 1.230 395 T CA -0.290 61.821 62.100 0.017 0.000 1.007 395 T CB 0.861 69.745 68.868 0.026 0.000 1.289 395 T HN 0.141 8.381 8.240 -0.000 0.000 0.508 396 N N 0.038 118.748 118.700 0.016 0.000 2.515 396 N HA 0.065 4.803 4.740 -0.002 0.000 0.191 396 N C 0.909 176.434 175.510 0.024 0.000 1.182 396 N CA 0.246 53.305 53.050 0.015 0.000 0.879 396 N CB -0.299 38.194 38.487 0.011 0.000 0.984 396 N HN 0.344 8.724 8.380 -0.000 0.000 0.453 397 L N -0.534 120.712 121.223 0.038 0.000 2.585 397 L HA 0.424 4.763 4.340 -0.002 0.000 0.226 397 L C 2.082 178.989 176.870 0.062 0.000 1.113 397 L CA -0.007 54.871 54.840 0.064 0.000 0.876 397 L CB -0.721 41.391 42.059 0.089 0.000 1.072 397 L HN 0.313 8.543 8.230 -0.000 0.000 0.468 398 A N -0.247 122.592 122.820 0.031 0.000 1.969 398 A HA 0.283 4.602 4.320 -0.002 0.000 0.218 398 A C 1.396 178.961 177.584 -0.031 0.000 1.169 398 A CA 1.147 53.191 52.037 0.012 0.000 0.635 398 A CB -0.354 18.647 19.000 0.001 0.000 0.810 398 A HN 0.290 8.440 8.150 -0.000 0.000 0.445 399 A N -1.665 121.129 122.820 -0.043 0.000 2.311 399 A HA 0.538 4.857 4.320 -0.002 0.000 0.334 399 A C 0.384 177.896 177.584 -0.120 0.000 1.139 399 A CA -0.267 51.706 52.037 -0.106 0.000 0.830 399 A CB 0.349 19.304 19.000 -0.075 0.000 1.234 399 A HN 0.464 8.614 8.150 -0.000 0.000 0.483 400 N N -0.285 118.262 118.700 -0.254 0.000 2.714 400 N HA -0.208 4.531 4.740 -0.002 0.000 0.250 400 N C -0.449 175.061 175.510 -0.001 0.000 1.117 400 N CA 1.410 54.352 53.050 -0.179 0.000 0.719 400 N CB -1.680 36.814 38.487 0.011 0.000 1.081 400 N HN 1.031 9.411 8.380 -0.000 0.000 0.557 401 F N -1.962 118.071 119.950 0.138 0.000 3.100 401 F HA -0.279 4.247 4.527 -0.002 0.000 0.283 401 F C 1.360 177.310 175.800 0.250 0.000 0.900 401 F CA 0.652 58.768 58.000 0.194 0.000 1.010 401 F CB -2.324 36.778 39.000 0.170 0.000 1.029 401 F HN 0.141 8.441 8.300 -0.000 0.000 0.637 402 N N 0.679 119.522 118.700 0.239 0.000 2.205 402 N HA -0.122 4.617 4.740 -0.002 0.000 0.186 402 N C 2.203 177.808 175.510 0.158 0.000 1.015 402 N CA 1.465 54.611 53.050 0.159 0.000 0.862 402 N CB -0.565 37.971 38.487 0.082 0.000 0.986 402 N HN 0.604 8.984 8.380 -0.000 0.000 0.429 403 G N 0.217 109.148 108.800 0.218 0.000 2.432 403 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.219 403 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.219 403 G C 1.264 176.332 174.900 0.281 0.000 1.135 403 G CA 0.453 45.714 45.100 0.268 0.000 0.767 403 G HN 0.403 8.693 8.290 -0.000 0.000 0.550 404 Q N -0.151 119.815 119.800 0.276 0.000 2.360 404 Q HA 0.081 4.419 4.340 -0.002 0.000 0.202 404 Q C 0.494 176.370 176.000 -0.207 0.000 0.915 404 Q CA -0.411 55.454 55.803 0.103 0.000 0.943 404 Q CB 0.242 29.174 28.738 0.323 0.000 1.064 404 Q HN 0.291 8.561 8.270 -0.000 0.000 0.511 405 N N 1.206 119.796 118.700 -0.183 0.000 2.405 405 N HA -0.002 4.737 4.740 -0.002 0.000 0.260 405 N C 0.267 175.456 175.510 -0.536 0.000 1.152 405 N CA 0.405 53.087 53.050 -0.614 0.000 0.948 405 N CB 1.199 39.429 38.487 -0.427 0.000 1.111 405 N HN -0.048 8.332 8.380 -0.000 0.000 0.485 406 T N 3.089 117.175 114.554 -0.781 0.000 2.897 406 T HA -0.099 4.250 4.350 -0.002 0.000 0.271 406 T C 1.164 175.663 174.700 -0.335 0.000 1.084 406 T CA 1.270 62.941 62.100 -0.716 0.000 1.123 406 T CB 0.215 68.492 68.868 -0.985 0.000 0.865 406 T HN 0.615 8.855 8.240 -0.000 0.000 0.496 407 E N -0.036 119.981 120.200 -0.305 0.000 2.166 407 E HA 0.084 4.432 4.350 -0.002 0.000 0.192 407 E C 1.911 178.437 176.600 -0.123 0.000 0.967 407 E CA 0.243 56.537 56.400 -0.177 0.000 0.840 407 E CB 0.144 29.743 29.700 -0.169 0.000 0.795 407 E HN 0.323 8.683 8.360 -0.000 0.000 0.470 408 I N 1.500 121.986 120.570 -0.139 0.000 2.286 408 I HA -0.127 4.042 4.170 -0.002 0.000 0.245 408 I C 1.316 177.412 176.117 -0.034 0.000 1.104 408 I CA 1.001 62.256 61.300 -0.075 0.000 1.397 408 I CB -0.658 37.302 38.000 -0.066 0.000 1.072 408 I HN 0.010 8.220 8.210 -0.000 0.000 0.417 409 N N 2.014 120.704 118.700 -0.017 0.000 2.761 409 N HA 0.001 4.740 4.740 -0.002 0.000 0.317 409 N C 1.061 176.597 175.510 0.043 0.000 1.546 409 N CA -0.145 52.923 53.050 0.030 0.000 1.015 409 N CB -0.370 38.177 38.487 0.099 0.000 1.343 409 N HN 0.252 8.632 8.380 -0.000 0.000 0.504 410 N N 0.669 119.369 118.700 -0.001 0.000 2.205 410 N HA -0.186 4.553 4.740 -0.002 0.000 0.186 410 N C 0.960 176.449 175.510 -0.034 0.000 1.015 410 N CA 0.961 54.008 53.050 -0.005 0.000 0.862 410 N CB -0.080 38.393 38.487 -0.023 0.000 0.986 410 N HN 0.265 8.645 8.380 -0.000 0.000 0.429 411 M N 0.792 120.357 119.600 -0.059 0.000 2.446 411 M HA 0.035 4.513 4.480 -0.002 0.000 0.263 411 M C 0.894 177.098 176.300 -0.160 0.000 1.066 411 M CA 0.645 55.897 55.300 -0.080 0.000 1.087 411 M CB -1.009 31.557 32.600 -0.057 0.000 1.406 411 M HN 0.223 8.513 8.290 -0.000 0.000 0.459 412 N N -0.527 117.993 118.700 -0.300 0.000 2.280 412 N HA 0.107 4.846 4.740 -0.002 0.000 0.192 412 N C -0.922 173.974 175.510 -1.024 0.000 1.109 412 N CA 0.250 52.937 53.050 -0.604 0.000 0.855 412 N CB 0.620 38.670 38.487 -0.729 0.000 0.974 412 N HN 0.159 8.539 8.380 -0.000 0.000 0.482 413 F N 0.011 119.836 119.950 -0.208 0.000 2.612 413 F HA 0.255 4.780 4.527 -0.002 0.000 0.332 413 F C -0.119 175.633 175.800 -0.080 0.000 1.167 413 F CA -0.743 57.106 58.000 -0.252 0.000 0.970 413 F CB 1.509 40.125 39.000 -0.640 0.000 1.234 413 F HN -0.386 7.914 8.300 -0.000 0.000 0.453 414 T N 3.621 118.272 114.554 0.162 0.000 2.781 414 T HA 0.254 4.603 4.350 -0.002 0.000 0.305 414 T C -0.035 174.806 174.700 0.236 0.000 1.001 414 T CA -0.878 61.306 62.100 0.139 0.000 0.950 414 T CB 0.254 69.143 68.868 0.035 0.000 0.955 414 T HN 0.338 8.578 8.240 -0.000 0.000 0.471 415 K N 3.301 123.865 120.400 0.274 0.000 2.472 415 K HA 0.122 4.441 4.320 -0.002 0.000 0.280 415 K C 0.788 177.373 176.600 -0.024 0.000 1.028 415 K CA -0.072 56.303 56.287 0.147 0.000 1.045 415 K CB 0.567 33.147 32.500 0.134 0.000 0.902 415 K HN 0.552 8.802 8.250 -0.000 0.000 0.478 416 L N 2.767 123.893 121.223 -0.161 0.000 2.592 416 L HA 0.062 4.401 4.340 -0.002 0.000 0.227 416 L C -0.003 176.806 176.870 -0.102 0.000 1.127 416 L CA 0.305 55.050 54.840 -0.158 0.000 0.884 416 L CB -0.320 41.530 42.059 -0.347 0.000 1.065 416 L HN 0.791 9.021 8.230 -0.000 0.000 0.457 417 K N 0.000 120.327 120.400 -0.122 0.000 2.780 417 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 417 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 417 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 417 K HN 0.000 8.250 8.250 -0.000 0.000 0.543