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 3ghu_1_A DATA FIRST_RESID 0 DATA SEQUENCE MASRILLNNG AKMPILGLGT WKSPPGQVTE AVKVAIDVGY RHIDCAHVYQ DATA SEQUENCE NENEVGVAIQ EKLREQVVKR EELFIVSKLW CTYHEKGLVK GACQKTLSDL DATA SEQUENCE KLDYLDLYLI HWPTGFKPGK EFFPLDESGN VVPSDTNILD TWAAMEELVD DATA SEQUENCE EGLVKAIGIS NFNHLQVEMI LNKPGLKYKP AVNQIECHPY LTQEKLIQYC DATA SEQUENCE QSKGIVVTAY SPLGSPDRPW AKPEDPSLLE DPRIKAIAAK HNKTTAQVLI DATA SEQUENCE RFPMQRNLVV IPKSVTPERI AENFKVFDFE LSSQDMTTLL SYNRNWRVCA DATA SEQUENCE LLSCTSHKDY PFHEEF 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 0 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 0 M C 0.000 176.368 176.300 0.114 0.000 1.140 0 M CA 0.000 55.345 55.300 0.075 0.000 0.988 0 M CB 0.000 32.614 32.600 0.024 0.000 1.302 1 A N 1.725 124.572 122.820 0.046 0.000 2.587 1 A HA 0.261 4.602 4.320 0.034 0.000 0.235 1 A C 0.909 178.529 177.584 0.060 0.000 1.044 1 A CA 0.822 52.872 52.037 0.022 0.000 0.754 1 A CB -0.200 18.800 19.000 0.000 0.000 0.968 1 A HN 1.097 9.247 8.150 -0.000 0.000 0.509 2 S N 2.279 117.968 115.700 -0.019 0.000 2.524 2 S HA 0.184 4.674 4.470 0.034 0.000 0.216 2 S C 0.706 175.316 174.600 0.017 0.000 0.987 2 S CA 0.006 58.185 58.200 -0.035 0.000 0.909 2 S CB 0.101 63.135 63.200 -0.277 0.000 0.781 2 S HN 0.743 9.053 8.310 -0.000 0.000 0.521 3 R N -0.141 120.353 120.500 -0.010 0.000 2.795 3 R HA 0.655 5.015 4.340 0.034 0.000 0.275 3 R C -1.610 174.664 176.300 -0.042 0.000 0.981 3 R CA -0.714 55.365 56.100 -0.035 0.000 0.917 3 R CB 1.920 32.192 30.300 -0.047 0.000 1.202 3 R HN 0.274 8.544 8.270 -0.000 0.000 0.469 4 I N 2.189 122.716 120.570 -0.072 0.000 2.474 4 I HA 0.261 4.451 4.170 0.034 0.000 0.294 4 I C -1.015 175.059 176.117 -0.072 0.000 1.005 4 I CA -1.276 59.984 61.300 -0.067 0.000 1.113 4 I CB 1.580 39.537 38.000 -0.071 0.000 1.289 4 I HN 0.437 8.647 8.210 -0.000 0.000 0.436 5 L N 8.254 129.449 121.223 -0.048 0.000 2.360 5 L HA 0.362 4.723 4.340 0.034 0.000 0.276 5 L C -0.802 176.049 176.870 -0.032 0.000 1.121 5 L CA 0.363 55.182 54.840 -0.034 0.000 0.845 5 L CB 0.451 42.497 42.059 -0.023 0.000 1.143 5 L HN 0.487 8.717 8.230 -0.000 0.000 0.452 6 L N 4.107 125.319 121.223 -0.019 0.000 2.439 6 L HA 0.314 4.674 4.340 0.034 0.000 0.259 6 L C 1.176 178.049 176.870 0.005 0.000 1.129 6 L CA -0.623 54.214 54.840 -0.004 0.000 0.803 6 L CB 0.474 42.550 42.059 0.028 0.000 1.161 6 L HN 0.757 8.988 8.230 -0.000 0.000 0.462 7 N N 0.408 119.114 118.700 0.009 0.000 2.521 7 N HA -0.152 4.608 4.740 0.034 0.000 0.188 7 N C 0.659 176.187 175.510 0.030 0.000 1.146 7 N CA 0.405 53.464 53.050 0.015 0.000 0.893 7 N CB -0.535 37.959 38.487 0.012 0.000 0.975 7 N HN 0.654 9.034 8.380 -0.000 0.000 0.451 8 N N -0.439 118.277 118.700 0.027 0.000 2.280 8 N HA 0.109 4.869 4.740 0.034 0.000 0.192 8 N C 1.108 176.623 175.510 0.008 0.000 1.109 8 N CA 0.544 53.602 53.050 0.014 0.000 0.855 8 N CB -0.229 38.249 38.487 -0.015 0.000 0.974 8 N HN 0.288 8.668 8.380 -0.000 0.000 0.482 9 G N -0.786 108.021 108.800 0.012 0.000 2.179 9 G HA2 -0.223 3.757 3.960 0.034 0.000 0.260 9 G HA3 -0.223 3.757 3.960 0.034 0.000 0.260 9 G C 0.270 175.179 174.900 0.015 0.000 0.977 9 G CA 0.321 45.426 45.100 0.008 0.000 0.641 9 G HN 0.836 9.126 8.290 -0.000 0.000 0.533 10 A N -0.179 122.662 122.820 0.034 0.000 2.286 10 A HA 0.738 5.078 4.320 0.034 0.000 0.286 10 A C 0.371 177.991 177.584 0.059 0.000 1.097 10 A CA 0.001 52.079 52.037 0.068 0.000 0.821 10 A CB 0.604 19.684 19.000 0.133 0.000 1.076 10 A HN 0.355 8.505 8.150 -0.000 0.000 0.490 11 K N 0.698 121.135 120.400 0.062 0.000 2.206 11 K HA 0.480 4.820 4.320 0.034 0.000 0.264 11 K C -0.862 175.676 176.600 -0.103 0.000 0.967 11 K CA -0.069 56.212 56.287 -0.011 0.000 0.844 11 K CB 1.821 34.319 32.500 -0.004 0.000 1.099 11 K HN 0.759 9.009 8.250 -0.000 0.000 0.441 12 M N 4.615 124.030 119.600 -0.309 0.000 2.227 12 M HA 0.356 4.857 4.480 0.034 0.000 0.335 12 M C -2.552 173.493 176.300 -0.427 0.000 1.053 12 M CA -2.089 52.729 55.300 -0.805 0.000 0.973 12 M CB 1.639 33.693 32.600 -0.911 0.000 1.623 12 M HN 0.207 8.497 8.290 -0.000 0.000 0.434 13 P HA 0.033 4.453 4.420 -0.000 0.000 0.268 13 P C 0.524 177.874 177.300 0.083 0.000 1.204 13 P CA 0.037 63.125 63.100 -0.020 0.000 0.768 13 P CB 0.202 31.978 31.700 0.126 0.000 0.842 14 I N 0.816 121.448 120.570 0.105 0.000 2.439 14 I HA -0.002 4.188 4.170 0.034 0.000 0.251 14 I C 0.416 176.605 176.117 0.120 0.000 1.139 14 I CA 1.143 62.496 61.300 0.088 0.000 1.438 14 I CB -0.177 37.848 38.000 0.042 0.000 1.085 14 I HN 0.115 8.325 8.210 -0.000 0.000 0.427 15 L N 2.681 124.017 121.223 0.188 0.000 2.326 15 L HA 0.609 4.969 4.340 0.034 0.000 0.278 15 L C 0.378 177.353 176.870 0.174 0.000 1.092 15 L CA 0.420 55.349 54.840 0.149 0.000 0.810 15 L CB 0.825 42.971 42.059 0.146 0.000 1.153 15 L HN 0.343 8.573 8.230 -0.000 0.000 0.439 16 G N 3.046 111.845 108.800 -0.001 0.000 2.725 16 G HA2 0.518 4.498 3.960 0.034 0.000 0.288 16 G HA3 0.518 4.498 3.960 0.034 0.000 0.288 16 G C -1.887 173.097 174.900 0.140 0.000 1.399 16 G CA -0.574 44.441 45.100 -0.142 0.000 0.859 16 G HN 0.386 8.676 8.290 -0.000 0.000 0.479 17 L N 1.397 122.682 121.223 0.103 0.000 2.264 17 L HA 0.713 5.074 4.340 0.034 0.000 0.289 17 L C 0.815 177.693 176.870 0.013 0.000 1.044 17 L CA -0.224 54.612 54.840 -0.006 0.000 0.807 17 L CB 0.859 42.778 42.059 -0.234 0.000 1.192 17 L HN 0.672 8.902 8.230 -0.000 0.000 0.425 18 G N 1.940 110.766 108.800 0.043 0.000 2.476 18 G HA2 0.426 4.406 3.960 0.034 0.000 0.269 18 G HA3 0.426 4.406 3.960 0.034 0.000 0.269 18 G C 0.406 175.343 174.900 0.061 0.000 1.195 18 G CA 0.302 45.453 45.100 0.084 0.000 0.843 18 G HN 0.797 9.087 8.290 -0.000 0.000 0.545 19 T N -2.992 111.628 114.554 0.110 0.000 3.087 19 T HA 0.056 4.426 4.350 0.034 0.000 0.283 19 T C 0.104 174.808 174.700 0.007 0.000 0.956 19 T CA -0.507 61.646 62.100 0.089 0.000 0.894 19 T CB -0.094 68.874 68.868 0.167 0.000 1.160 19 T HN 0.446 8.687 8.240 -0.000 0.000 0.532 20 W N 3.918 124.941 121.300 -0.462 0.000 2.251 20 W HA 0.438 5.121 4.660 0.038 0.000 0.327 20 W C 0.556 176.855 176.519 -0.367 0.000 1.361 20 W CA -0.362 56.470 57.345 -0.855 0.000 1.234 20 W CB 0.070 28.900 29.460 -1.051 0.000 1.212 20 W HN 0.442 8.622 8.180 -0.000 0.000 0.557 21 K N 1.999 122.137 120.400 -0.436 0.000 3.553 21 K HA -0.188 4.152 4.320 0.034 0.000 0.303 21 K C 0.293 176.755 176.600 -0.231 0.000 1.327 21 K CA 1.061 57.072 56.287 -0.459 0.000 0.983 21 K CB -1.867 30.169 32.500 -0.773 0.000 1.275 21 K HN 0.362 8.612 8.250 -0.000 0.000 0.453 22 S N 2.588 118.205 115.700 -0.138 0.000 2.465 22 S HA 0.192 4.682 4.470 0.034 0.000 0.280 22 S C -2.146 172.430 174.600 -0.040 0.000 1.232 22 S CA -0.796 57.357 58.200 -0.078 0.000 1.066 22 S CB 0.513 63.688 63.200 -0.042 0.000 0.929 22 S HN 0.003 8.313 8.310 -0.000 0.000 0.494 23 P HA 0.144 4.564 4.420 -0.000 0.000 0.269 23 P C -1.944 175.354 177.300 -0.003 0.000 1.209 23 P CA -1.287 61.800 63.100 -0.023 0.000 0.776 23 P CB 0.107 31.789 31.700 -0.031 0.000 0.876 24 P HA -0.124 4.296 4.420 -0.000 0.000 0.218 24 P C 1.453 178.758 177.300 0.008 0.000 1.148 24 P CA 1.684 64.796 63.100 0.019 0.000 0.822 24 P CB -0.305 31.412 31.700 0.027 0.000 0.784 25 G N -0.821 107.980 108.800 0.002 0.000 2.598 25 G HA2 -0.193 3.788 3.960 0.034 0.000 0.215 25 G HA3 -0.193 3.788 3.960 0.034 0.000 0.215 25 G C 1.330 176.225 174.900 -0.008 0.000 1.131 25 G CA 0.440 45.538 45.100 -0.003 0.000 0.785 25 G HN 0.339 8.629 8.290 -0.000 0.000 0.539 26 Q N -1.214 118.578 119.800 -0.012 0.000 2.280 26 Q HA 0.239 4.599 4.340 0.034 0.000 0.244 26 Q C 2.153 178.140 176.000 -0.021 0.000 0.847 26 Q CA -0.152 55.640 55.803 -0.019 0.000 0.945 26 Q CB 0.700 29.421 28.738 -0.027 0.000 1.115 26 Q HN 0.261 8.531 8.270 -0.000 0.000 0.513 27 V N 0.688 120.594 119.914 -0.013 0.000 2.719 27 V HA -0.168 3.973 4.120 0.034 0.000 0.252 27 V C 1.773 177.859 176.094 -0.014 0.000 1.065 27 V CA 2.012 64.304 62.300 -0.013 0.000 1.086 27 V CB -0.083 31.743 31.823 0.006 0.000 0.700 27 V HN 0.377 8.567 8.190 -0.000 0.000 0.467 28 T N 0.173 114.722 114.554 -0.008 0.000 2.708 28 T HA -0.233 4.137 4.350 0.034 0.000 0.266 28 T C 1.744 176.432 174.700 -0.019 0.000 1.037 28 T CA 2.003 64.097 62.100 -0.010 0.000 1.146 28 T CB -0.244 68.621 68.868 -0.005 0.000 0.865 28 T HN 0.771 9.011 8.240 -0.000 0.000 0.435 29 E N 1.243 121.431 120.200 -0.020 0.000 2.077 29 E HA -0.140 4.230 4.350 0.034 0.000 0.193 29 E C 2.376 178.953 176.600 -0.038 0.000 0.989 29 E CA 1.100 57.485 56.400 -0.025 0.000 0.800 29 E CB -0.273 29.415 29.700 -0.021 0.000 0.746 29 E HN 0.459 8.819 8.360 -0.000 0.000 0.452 30 A N 0.799 123.592 122.820 -0.046 0.000 1.883 30 A HA -0.141 4.199 4.320 0.034 0.000 0.217 30 A C 2.438 179.963 177.584 -0.099 0.000 1.186 30 A CA 1.653 53.647 52.037 -0.072 0.000 0.624 30 A CB -0.724 18.232 19.000 -0.073 0.000 0.822 30 A HN 0.242 8.392 8.150 -0.000 0.000 0.444 31 V N 0.007 119.876 119.914 -0.076 0.000 2.427 31 V HA -0.240 3.900 4.120 0.034 0.000 0.248 31 V C 2.416 178.470 176.094 -0.067 0.000 1.051 31 V CA 2.227 64.479 62.300 -0.080 0.000 1.048 31 V CB -0.669 31.130 31.823 -0.040 0.000 0.666 31 V HN 0.533 8.723 8.190 -0.000 0.000 0.456 32 K N -0.160 120.213 120.400 -0.046 0.000 2.032 32 K HA -0.154 4.187 4.320 0.034 0.000 0.209 32 K C 2.100 178.675 176.600 -0.041 0.000 1.048 32 K CA 1.542 57.808 56.287 -0.035 0.000 0.927 32 K CB -0.468 32.017 32.500 -0.025 0.000 0.712 32 K HN 0.314 8.564 8.250 -0.000 0.000 0.441 33 V N 1.406 121.290 119.914 -0.050 0.000 2.343 33 V HA -0.281 3.859 4.120 0.034 0.000 0.247 33 V C 2.368 178.426 176.094 -0.060 0.000 1.051 33 V CA 2.043 64.316 62.300 -0.045 0.000 1.036 33 V CB -0.725 31.074 31.823 -0.040 0.000 0.654 33 V HN 0.387 8.577 8.190 -0.000 0.000 0.451 34 A N 0.010 122.750 122.820 -0.132 0.000 1.883 34 A HA -0.223 4.117 4.320 0.034 0.000 0.217 34 A C 2.180 179.744 177.584 -0.034 0.000 1.186 34 A CA 2.210 54.120 52.037 -0.211 0.000 0.624 34 A CB -0.604 18.059 19.000 -0.562 0.000 0.822 34 A HN 0.511 8.661 8.150 -0.000 0.000 0.444 35 I N -0.182 120.364 120.570 -0.040 0.000 2.226 35 I HA -0.241 3.950 4.170 0.034 0.000 0.245 35 I C 1.803 177.902 176.117 -0.030 0.000 1.100 35 I CA 1.487 62.781 61.300 -0.011 0.000 1.374 35 I CB -0.507 37.490 38.000 -0.005 0.000 1.057 35 I HN 0.252 8.462 8.210 -0.000 0.000 0.413 36 D N 0.429 120.811 120.400 -0.030 0.000 2.149 36 D HA -0.136 4.524 4.640 0.034 0.000 0.198 36 D C 2.068 178.341 176.300 -0.045 0.000 0.990 36 D CA 1.560 55.543 54.000 -0.028 0.000 0.839 36 D CB -0.144 40.645 40.800 -0.018 0.000 0.948 36 D HN 0.379 8.749 8.370 -0.000 0.000 0.460 37 V N -3.769 116.107 119.914 -0.062 0.000 3.649 37 V HA 0.542 4.682 4.120 0.034 0.000 0.275 37 V C 1.338 177.223 176.094 -0.349 0.000 1.281 37 V CA 0.849 63.087 62.300 -0.103 0.000 1.143 37 V CB 0.380 32.192 31.823 -0.018 0.000 0.892 37 V HN 0.226 8.416 8.190 -0.000 0.000 0.441 38 G N -1.291 107.273 108.800 -0.393 0.000 2.260 38 G HA2 -0.185 3.795 3.960 0.034 0.000 0.179 38 G HA3 -0.185 3.795 3.960 0.034 0.000 0.179 38 G C -0.254 174.285 174.900 -0.601 0.000 1.002 38 G CA -0.146 44.628 45.100 -0.542 0.000 0.677 38 G HN 0.482 8.772 8.290 -0.000 0.000 0.486 39 Y N 1.100 121.011 120.300 -0.647 0.000 2.497 39 Y HA 0.514 5.084 4.550 0.034 0.000 0.334 39 Y C 1.806 177.697 175.900 -0.015 0.000 1.199 39 Y CA 0.234 58.211 58.100 -0.205 0.000 1.425 39 Y CB 0.662 39.064 38.460 -0.097 0.000 1.291 39 Y HN -0.004 8.276 8.280 -0.000 0.000 0.562 40 R N 0.398 121.064 120.500 0.275 0.000 2.453 40 R HA 0.049 4.409 4.340 0.034 0.000 0.233 40 R C -0.449 176.047 176.300 0.327 0.000 0.895 40 R CA 0.003 56.242 56.100 0.232 0.000 1.028 40 R CB 0.146 30.553 30.300 0.179 0.000 1.255 40 R HN 0.757 9.027 8.270 -0.000 0.000 0.571 41 H N 1.048 120.274 119.070 0.259 0.000 2.481 41 H HA 0.404 4.980 4.556 0.033 0.000 0.333 41 H C -0.818 174.660 175.328 0.249 0.000 1.066 41 H CA -0.585 55.630 56.048 0.279 0.000 1.209 41 H CB 0.946 30.847 29.762 0.232 0.000 1.445 41 H HN -0.196 8.084 8.280 -0.000 0.000 0.488 42 I N 4.560 125.413 120.570 0.472 0.000 2.465 42 I HA 0.101 4.291 4.170 0.034 0.000 0.291 42 I C -0.447 175.856 176.117 0.311 0.000 1.014 42 I CA -0.613 60.840 61.300 0.254 0.000 1.093 42 I CB 1.494 39.584 38.000 0.149 0.000 1.267 42 I HN 0.744 8.954 8.210 -0.000 0.000 0.431 43 D N 5.212 125.740 120.400 0.214 0.000 2.329 43 D HA 0.539 5.199 4.640 0.034 0.000 0.232 43 D C -0.883 175.551 176.300 0.223 0.000 1.088 43 D CA 0.106 54.246 54.000 0.232 0.000 0.835 43 D CB 0.941 41.862 40.800 0.201 0.000 1.078 43 D HN 0.514 8.884 8.370 -0.000 0.000 0.495 44 C N 2.817 122.220 119.300 0.171 0.000 2.913 44 C HA 1.040 5.520 4.460 0.034 0.000 0.322 44 C C -0.407 174.533 174.990 -0.084 0.000 1.292 44 C CA -0.636 58.467 59.018 0.141 0.000 1.649 44 C CB 1.009 28.805 27.740 0.094 0.000 2.139 44 C HN 0.789 9.019 8.230 -0.000 0.000 0.475 45 A N -0.757 121.891 122.820 -0.286 0.000 2.577 45 A HA 0.588 4.928 4.320 0.034 0.000 0.297 45 A C -0.006 177.411 177.584 -0.278 0.000 1.060 45 A CA -0.261 51.478 52.037 -0.497 0.000 0.697 45 A CB 0.236 18.532 19.000 -1.173 0.000 1.281 45 A HN 1.076 9.226 8.150 -0.000 0.000 0.402 46 H N 1.518 120.479 119.070 -0.183 0.000 2.353 46 H HA -0.144 4.433 4.556 0.035 0.000 0.298 46 H C 1.614 176.792 175.328 -0.250 0.000 1.103 46 H CA 3.201 59.171 56.048 -0.130 0.000 1.293 46 H CB 0.287 30.003 29.762 -0.076 0.000 1.372 46 H HN 0.465 8.745 8.280 -0.000 0.000 0.501 47 V N 0.173 119.764 119.914 -0.538 0.000 2.913 47 V HA -0.196 3.944 4.120 0.034 0.000 0.260 47 V C 1.229 177.174 176.094 -0.248 0.000 1.098 47 V CA 1.276 63.020 62.300 -0.927 0.000 1.121 47 V CB -0.776 30.185 31.823 -1.437 0.000 0.714 47 V HN 0.513 8.703 8.190 -0.000 0.000 0.487 48 Y N 0.275 120.512 120.300 -0.105 0.000 2.561 48 Y HA 0.097 4.668 4.550 0.036 0.000 0.291 48 Y C 1.804 177.747 175.900 0.072 0.000 1.141 48 Y CA -0.111 58.037 58.100 0.079 0.000 1.303 48 Y CB -0.840 37.716 38.460 0.160 0.000 1.015 48 Y HN 0.468 8.748 8.280 -0.000 0.000 0.547 49 Q N 0.013 119.890 119.800 0.129 0.000 2.489 49 Q HA -0.248 4.112 4.340 0.034 0.000 0.259 49 Q C -0.120 175.943 176.000 0.105 0.000 0.934 49 Q CA 0.795 56.658 55.803 0.099 0.000 1.131 49 Q CB -2.003 26.820 28.738 0.143 0.000 1.472 49 Q HN 0.680 8.950 8.270 -0.000 0.000 0.560 50 N N -1.909 116.864 118.700 0.123 0.000 2.167 50 N HA 0.093 4.853 4.740 0.034 0.000 0.234 50 N C 0.529 176.094 175.510 0.091 0.000 1.312 50 N CA -0.065 53.047 53.050 0.104 0.000 0.861 50 N CB 0.297 38.851 38.487 0.112 0.000 1.217 50 N HN 0.190 8.570 8.380 -0.000 0.000 0.504 51 E N 0.498 120.751 120.200 0.087 0.000 2.153 51 E HA -0.171 4.200 4.350 0.034 0.000 0.194 51 E C 0.992 177.624 176.600 0.052 0.000 0.988 51 E CA 0.879 57.323 56.400 0.073 0.000 0.811 51 E CB -0.037 29.709 29.700 0.076 0.000 0.746 51 E HN 0.366 8.726 8.360 -0.000 0.000 0.466 52 N N 1.245 119.976 118.700 0.051 0.000 2.120 52 N HA -0.189 4.571 4.740 0.034 0.000 0.188 52 N C 1.446 176.972 175.510 0.027 0.000 1.024 52 N CA 1.458 54.529 53.050 0.036 0.000 0.852 52 N CB 0.085 38.594 38.487 0.037 0.000 1.003 52 N HN 0.055 8.435 8.380 -0.000 0.000 0.424 53 E N -0.670 119.550 120.200 0.032 0.000 2.107 53 E HA -0.032 4.339 4.350 0.034 0.000 0.191 53 E C 2.047 178.659 176.600 0.020 0.000 0.982 53 E CA 0.595 57.009 56.400 0.023 0.000 0.809 53 E CB -0.151 29.564 29.700 0.025 0.000 0.756 53 E HN 0.119 8.479 8.360 -0.000 0.000 0.459 54 V N 0.599 120.531 119.914 0.030 0.000 2.343 54 V HA -0.218 3.922 4.120 0.034 0.000 0.247 54 V C 2.259 178.360 176.094 0.012 0.000 1.051 54 V CA 2.059 64.375 62.300 0.026 0.000 1.036 54 V CB -1.070 30.781 31.823 0.047 0.000 0.654 54 V HN 0.452 8.642 8.190 -0.000 0.000 0.451 55 G N -0.351 108.455 108.800 0.010 0.000 2.422 55 G HA2 -0.192 3.788 3.960 0.034 0.000 0.218 55 G HA3 -0.192 3.788 3.960 0.034 0.000 0.218 55 G C 1.663 176.558 174.900 -0.007 0.000 1.146 55 G CA 1.131 46.228 45.100 -0.005 0.000 0.769 55 G HN 0.383 8.673 8.290 -0.000 0.000 0.547 56 V N 1.576 121.489 119.914 -0.001 0.000 2.332 56 V HA -0.191 3.950 4.120 0.034 0.000 0.248 56 V C 3.321 179.411 176.094 -0.007 0.000 1.055 56 V CA 2.117 64.415 62.300 -0.003 0.000 1.038 56 V CB -0.918 30.905 31.823 0.001 0.000 0.651 56 V HN 0.486 8.676 8.190 -0.000 0.000 0.450 57 A N -0.041 122.776 122.820 -0.006 0.000 1.877 57 A HA -0.180 4.161 4.320 0.034 0.000 0.216 57 A C 2.179 179.756 177.584 -0.012 0.000 1.186 57 A CA 2.036 54.067 52.037 -0.010 0.000 0.620 57 A CB -0.567 18.426 19.000 -0.012 0.000 0.822 57 A HN 0.503 8.653 8.150 -0.000 0.000 0.443 58 I N -0.561 120.002 120.570 -0.012 0.000 2.163 58 I HA -0.287 3.903 4.170 0.034 0.000 0.243 58 I C 2.695 178.799 176.117 -0.021 0.000 1.085 58 I CA 1.277 62.567 61.300 -0.017 0.000 1.347 58 I CB -0.361 37.624 38.000 -0.024 0.000 1.044 58 I HN 0.280 8.490 8.210 -0.000 0.000 0.408 59 Q N 0.334 120.121 119.800 -0.021 0.000 2.084 59 Q HA -0.232 4.128 4.340 0.034 0.000 0.202 59 Q C 2.041 178.033 176.000 -0.015 0.000 0.978 59 Q CA 1.421 57.211 55.803 -0.021 0.000 0.844 59 Q CB -0.460 28.266 28.738 -0.019 0.000 0.898 59 Q HN 0.385 8.655 8.270 -0.000 0.000 0.426 60 E N 0.726 120.919 120.200 -0.012 0.000 2.058 60 E HA -0.150 4.221 4.350 0.034 0.000 0.194 60 E C 1.590 178.185 176.600 -0.009 0.000 0.997 60 E CA 1.261 57.655 56.400 -0.009 0.000 0.801 60 E CB 0.108 29.802 29.700 -0.009 0.000 0.746 60 E HN 0.048 8.408 8.360 -0.000 0.000 0.450 61 K N -0.128 120.266 120.400 -0.010 0.000 2.155 61 K HA -0.006 4.334 4.320 0.034 0.000 0.203 61 K C 2.265 178.862 176.600 -0.006 0.000 1.052 61 K CA 0.615 56.898 56.287 -0.008 0.000 0.948 61 K CB -0.293 32.203 32.500 -0.007 0.000 0.728 61 K HN 0.265 8.515 8.250 -0.000 0.000 0.448 62 L N 0.346 121.563 121.223 -0.010 0.000 2.056 62 L HA -0.068 4.293 4.340 0.034 0.000 0.207 62 L C 2.785 179.650 176.870 -0.007 0.000 1.078 62 L CA 1.024 55.858 54.840 -0.009 0.000 0.749 62 L CB -0.353 41.696 42.059 -0.017 0.000 0.901 62 L HN 0.145 8.375 8.230 -0.000 0.000 0.433 63 R N 0.667 121.162 120.500 -0.008 0.000 2.081 63 R HA -0.159 4.201 4.340 0.034 0.000 0.235 63 R C 1.732 178.030 176.300 -0.004 0.000 1.131 63 R CA 1.476 57.572 56.100 -0.006 0.000 0.960 63 R CB -0.004 30.292 30.300 -0.007 0.000 0.856 63 R HN 0.419 8.689 8.270 -0.000 0.000 0.436 64 E N 0.239 120.437 120.200 -0.004 0.000 2.489 64 E HA -0.047 4.323 4.350 0.034 0.000 0.193 64 E C -0.235 176.364 176.600 -0.002 0.000 1.057 64 E CA 0.020 56.419 56.400 -0.003 0.000 0.866 64 E CB 0.397 30.095 29.700 -0.004 0.000 0.916 64 E HN 0.308 8.668 8.360 -0.000 0.000 0.500 65 Q N -0.818 118.981 119.800 -0.001 0.000 2.493 65 Q HA -0.179 4.182 4.340 0.034 0.000 0.278 65 Q C 0.939 176.940 176.000 0.001 0.000 1.216 65 Q CA 0.229 56.032 55.803 0.001 0.000 0.875 65 Q CB -2.005 26.734 28.738 0.001 0.000 1.262 65 Q HN 0.202 8.472 8.270 -0.000 0.000 0.468 66 V N -1.143 118.771 119.914 -0.000 0.000 2.453 66 V HA -0.004 4.137 4.120 0.034 0.000 0.247 66 V C 0.923 177.019 176.094 0.003 0.000 1.048 66 V CA 1.708 64.008 62.300 -0.000 0.000 1.049 66 V CB 0.735 32.557 31.823 -0.003 0.000 0.672 66 V HN 0.337 8.527 8.190 -0.000 0.000 0.457 67 V N -0.543 119.374 119.914 0.005 0.000 3.012 67 V HA 0.436 4.576 4.120 0.034 0.000 0.307 67 V C -1.032 175.070 176.094 0.012 0.000 1.166 67 V CA -1.101 61.206 62.300 0.012 0.000 0.974 67 V CB 2.512 34.345 31.823 0.017 0.000 1.040 67 V HN 0.296 8.486 8.190 -0.000 0.000 0.428 68 K N 2.709 123.120 120.400 0.018 0.000 2.144 68 K HA 0.402 4.742 4.320 0.034 0.000 0.270 68 K C 0.793 177.408 176.600 0.026 0.000 1.005 68 K CA -0.530 55.769 56.287 0.021 0.000 0.932 68 K CB 1.140 33.654 32.500 0.025 0.000 1.021 68 K HN 0.610 8.860 8.250 -0.000 0.000 0.462 69 R N 2.555 123.069 120.500 0.023 0.000 2.117 69 R HA -0.203 4.157 4.340 0.034 0.000 0.243 69 R C 1.671 178.008 176.300 0.061 0.000 1.143 69 R CA 2.190 58.300 56.100 0.017 0.000 0.968 69 R CB -0.219 30.090 30.300 0.016 0.000 0.863 69 R HN 0.830 9.100 8.270 -0.000 0.000 0.444 70 E N 0.053 120.304 120.200 0.085 0.000 2.338 70 E HA -0.203 4.167 4.350 0.034 0.000 0.197 70 E C 0.928 177.585 176.600 0.094 0.000 1.007 70 E CA 1.426 57.889 56.400 0.104 0.000 0.849 70 E CB -0.135 29.609 29.700 0.072 0.000 0.774 70 E HN 0.587 8.947 8.360 -0.000 0.000 0.506 71 E N 0.553 120.799 120.200 0.076 0.000 2.442 71 E HA 0.148 4.518 4.350 0.034 0.000 0.195 71 E C 0.428 177.094 176.600 0.109 0.000 1.030 71 E CA -0.074 56.376 56.400 0.082 0.000 0.869 71 E CB 0.305 30.039 29.700 0.057 0.000 0.857 71 E HN 0.258 8.618 8.360 -0.000 0.000 0.505 72 L N 0.749 122.030 121.223 0.096 0.000 2.357 72 L HA 0.330 4.690 4.340 0.034 0.000 0.273 72 L C -0.553 176.406 176.870 0.147 0.000 1.080 72 L CA -0.652 54.255 54.840 0.112 0.000 0.803 72 L CB 0.793 42.877 42.059 0.043 0.000 1.174 72 L HN -0.028 8.202 8.230 -0.000 0.000 0.443 73 F N 4.056 124.029 119.950 0.038 0.000 2.532 73 F HA 0.468 5.015 4.527 0.033 0.000 0.365 73 F C -0.595 175.210 175.800 0.007 0.000 1.112 73 F CA -0.645 57.350 58.000 -0.009 0.000 1.082 73 F CB 0.670 39.623 39.000 -0.078 0.000 1.319 73 F HN 0.084 8.384 8.300 -0.000 0.000 0.457 74 I N 6.715 127.176 120.570 -0.182 0.000 2.354 74 I HA 0.411 4.602 4.170 0.034 0.000 0.292 74 I C -0.480 175.572 176.117 -0.107 0.000 0.989 74 I CA -0.938 60.327 61.300 -0.059 0.000 1.188 74 I CB 1.284 39.218 38.000 -0.109 0.000 1.342 74 I HN 0.119 8.329 8.210 -0.000 0.000 0.457 75 V N 5.174 125.131 119.914 0.073 0.000 2.513 75 V HA 0.638 4.778 4.120 0.034 0.000 0.299 75 V C 0.173 176.320 176.094 0.089 0.000 1.035 75 V CA -0.336 62.021 62.300 0.095 0.000 0.889 75 V CB 1.867 33.826 31.823 0.227 0.000 0.988 75 V HN 0.903 9.093 8.190 -0.000 0.000 0.440 76 S N 3.425 119.190 115.700 0.109 0.000 2.806 76 S HA 0.784 5.274 4.470 0.034 0.000 0.306 76 S C -1.428 173.202 174.600 0.051 0.000 1.167 76 S CA -0.820 57.444 58.200 0.107 0.000 0.847 76 S CB 2.006 65.293 63.200 0.145 0.000 1.216 76 S HN 0.728 9.038 8.310 -0.000 0.000 0.532 77 K N 1.111 121.472 120.400 -0.065 0.000 2.501 77 K HA 0.431 4.771 4.320 0.034 0.000 0.252 77 K C -1.728 174.742 176.600 -0.217 0.000 0.934 77 K CA -0.759 55.338 56.287 -0.317 0.000 0.797 77 K CB 1.950 34.188 32.500 -0.436 0.000 1.270 77 K HN 0.425 8.675 8.250 -0.000 0.000 0.431 78 L N 3.494 124.432 121.223 -0.476 0.000 2.361 78 L HA 0.225 4.586 4.340 0.034 0.000 0.278 78 L C -0.285 176.680 176.870 0.159 0.000 1.113 78 L CA 0.012 54.754 54.840 -0.163 0.000 0.849 78 L CB 0.214 42.092 42.059 -0.303 0.000 1.155 78 L HN 0.648 8.878 8.230 -0.000 0.000 0.452 79 W N 5.848 127.214 121.300 0.111 0.000 2.161 79 W HA 0.106 4.793 4.660 0.045 0.000 0.344 79 W C 0.784 177.351 176.519 0.080 0.000 1.262 79 W CA -0.909 56.492 57.345 0.094 0.000 1.270 79 W CB 1.380 30.885 29.460 0.075 0.000 1.126 79 W HN 0.663 8.843 8.180 -0.000 0.000 0.598 80 C N 1.345 119.656 119.300 -1.648 0.000 2.419 80 C HA -0.197 4.283 4.460 0.034 0.000 0.281 80 C C 2.515 176.908 174.990 -0.995 0.000 1.336 80 C CA 1.815 59.845 59.018 -1.647 0.000 1.770 80 C CB -1.814 24.264 27.740 -2.771 0.000 1.929 80 C HN 0.744 8.974 8.230 -0.000 0.000 0.509 81 T N -3.322 110.905 114.554 -0.545 0.000 3.160 81 T HA -0.002 4.368 4.350 0.034 0.000 0.257 81 T C 0.537 175.009 174.700 -0.380 0.000 1.147 81 T CA 0.749 62.684 62.100 -0.274 0.000 1.064 81 T CB -0.550 68.264 68.868 -0.089 0.000 0.949 81 T HN 0.631 8.871 8.240 -0.000 0.000 0.526 82 Y N -0.398 119.927 120.300 0.041 0.000 2.706 82 Y HA 0.418 4.988 4.550 0.034 0.000 0.255 82 Y C 1.729 177.724 175.900 0.157 0.000 1.163 82 Y CA -1.250 56.915 58.100 0.107 0.000 1.174 82 Y CB -0.253 38.273 38.460 0.110 0.000 1.200 82 Y HN 0.411 8.691 8.280 -0.000 0.000 0.544 83 H N -0.410 118.678 119.070 0.030 0.000 2.502 83 H HA -0.002 4.567 4.556 0.021 0.000 0.283 83 H C 0.256 175.612 175.328 0.046 0.000 1.015 83 H CA 0.084 56.144 56.048 0.021 0.000 1.298 83 H CB 0.527 30.271 29.762 -0.031 0.000 1.411 83 H HN 0.288 8.568 8.280 -0.000 0.000 0.556 84 E N 1.381 121.682 120.200 0.168 0.000 2.437 84 E HA -0.069 4.301 4.350 0.034 0.000 0.263 84 E C 1.327 177.983 176.600 0.094 0.000 1.030 84 E CA 0.045 56.511 56.400 0.110 0.000 0.934 84 E CB 0.827 30.577 29.700 0.084 0.000 0.943 84 E HN 0.213 8.573 8.360 -0.000 0.000 0.444 85 K N 2.043 122.484 120.400 0.068 0.000 2.034 85 K HA -0.208 4.132 4.320 0.034 0.000 0.214 85 K C 1.580 178.211 176.600 0.051 0.000 1.051 85 K CA 1.887 58.204 56.287 0.050 0.000 0.931 85 K CB -0.432 32.091 32.500 0.039 0.000 0.715 85 K HN 0.648 8.898 8.250 -0.000 0.000 0.446 86 G N 0.338 109.171 108.800 0.055 0.000 2.848 86 G HA2 -0.009 3.971 3.960 0.034 0.000 0.208 86 G HA3 -0.009 3.971 3.960 0.034 0.000 0.208 86 G C 1.237 176.180 174.900 0.072 0.000 1.152 86 G CA 0.076 45.207 45.100 0.052 0.000 0.789 86 G HN 0.259 8.549 8.290 -0.000 0.000 0.531 87 L N -0.264 121.022 121.223 0.105 0.000 2.609 87 L HA 0.148 4.509 4.340 0.034 0.000 0.230 87 L C 2.498 179.459 176.870 0.153 0.000 1.087 87 L CA -0.107 54.832 54.840 0.165 0.000 0.874 87 L CB 0.238 42.451 42.059 0.257 0.000 1.114 87 L HN 0.003 8.233 8.230 -0.000 0.000 0.488 88 V N 0.691 120.671 119.914 0.110 0.000 2.295 88 V HA -0.307 3.833 4.120 0.034 0.000 0.246 88 V C 2.576 178.691 176.094 0.035 0.000 1.049 88 V CA 1.999 64.352 62.300 0.089 0.000 1.024 88 V CB -0.425 31.435 31.823 0.062 0.000 0.648 88 V HN 0.422 8.612 8.190 -0.000 0.000 0.447 89 K N 0.200 120.603 120.400 0.006 0.000 2.057 89 K HA -0.156 4.184 4.320 0.034 0.000 0.207 89 K C 2.155 178.719 176.600 -0.060 0.000 1.049 89 K CA 1.694 57.958 56.287 -0.038 0.000 0.931 89 K CB -0.627 31.854 32.500 -0.032 0.000 0.714 89 K HN 0.495 8.745 8.250 -0.000 0.000 0.440 90 G N 0.245 109.026 108.800 -0.030 0.000 2.422 90 G HA2 -0.241 3.739 3.960 0.034 0.000 0.218 90 G HA3 -0.241 3.739 3.960 0.034 0.000 0.218 90 G C 1.540 176.366 174.900 -0.123 0.000 1.146 90 G CA 0.869 45.941 45.100 -0.047 0.000 0.769 90 G HN 0.440 8.730 8.290 -0.000 0.000 0.547 91 A N -0.049 122.665 122.820 -0.177 0.000 1.902 91 A HA -0.131 4.209 4.320 0.034 0.000 0.217 91 A C 2.594 180.024 177.584 -0.257 0.000 1.181 91 A CA 1.839 53.641 52.037 -0.392 0.000 0.623 91 A CB -1.218 17.483 19.000 -0.497 0.000 0.818 91 A HN 0.504 8.654 8.150 -0.000 0.000 0.443 92 C N -0.594 118.590 119.300 -0.195 0.000 2.446 92 C HA -0.112 4.368 4.460 0.034 0.000 0.277 92 C C 2.802 177.616 174.990 -0.293 0.000 1.275 92 C CA 1.553 60.336 59.018 -0.390 0.000 1.727 92 C CB -1.458 25.968 27.740 -0.523 0.000 2.010 92 C HN 0.691 8.921 8.230 -0.000 0.000 0.486 93 Q N 0.252 119.933 119.800 -0.199 0.000 2.124 93 Q HA -0.218 4.142 4.340 0.034 0.000 0.202 93 Q C 2.183 178.110 176.000 -0.120 0.000 0.977 93 Q CA 1.821 57.538 55.803 -0.144 0.000 0.850 93 Q CB -0.180 28.499 28.738 -0.098 0.000 0.901 93 Q HN 0.568 8.838 8.270 -0.000 0.000 0.429 94 K N 0.448 120.770 120.400 -0.130 0.000 2.057 94 K HA -0.105 4.235 4.320 0.034 0.000 0.207 94 K C 1.941 178.499 176.600 -0.071 0.000 1.049 94 K CA 1.819 58.050 56.287 -0.093 0.000 0.931 94 K CB -0.548 31.875 32.500 -0.129 0.000 0.714 94 K HN 0.024 8.274 8.250 -0.000 0.000 0.440 95 T N 1.274 115.763 114.554 -0.107 0.000 2.746 95 T HA -0.073 4.297 4.350 0.034 0.000 0.267 95 T C 1.677 176.330 174.700 -0.078 0.000 1.039 95 T CA 1.517 63.584 62.100 -0.056 0.000 1.142 95 T CB -0.204 68.632 68.868 -0.053 0.000 0.866 95 T HN 0.129 8.369 8.240 -0.000 0.000 0.444 96 L N 0.641 121.788 121.223 -0.128 0.000 2.046 96 L HA -0.121 4.239 4.340 0.034 0.000 0.208 96 L C 2.878 179.700 176.870 -0.080 0.000 1.077 96 L CA 1.069 55.835 54.840 -0.122 0.000 0.747 96 L CB -0.583 41.392 42.059 -0.140 0.000 0.896 96 L HN 0.224 8.454 8.230 -0.000 0.000 0.432 97 S N -0.387 115.276 115.700 -0.062 0.000 2.370 97 S HA -0.201 4.289 4.470 0.034 0.000 0.226 97 S C 1.553 176.141 174.600 -0.021 0.000 1.033 97 S CA 1.510 59.688 58.200 -0.037 0.000 1.011 97 S CB -0.303 62.882 63.200 -0.025 0.000 0.852 97 S HN 0.432 8.742 8.310 -0.000 0.000 0.457 98 D N 1.383 121.779 120.400 -0.007 0.000 2.117 98 D HA -0.009 4.651 4.640 0.034 0.000 0.197 98 D C 1.742 178.042 176.300 -0.000 0.000 0.987 98 D CA 0.818 54.826 54.000 0.013 0.000 0.829 98 D CB -0.317 40.511 40.800 0.046 0.000 0.961 98 D HN 0.306 8.675 8.370 -0.000 0.000 0.460 99 L N -0.156 121.056 121.223 -0.018 0.000 2.478 99 L HA 0.024 4.384 4.340 0.034 0.000 0.223 99 L C 0.671 177.512 176.870 -0.048 0.000 1.140 99 L CA 0.371 55.192 54.840 -0.032 0.000 0.842 99 L CB -0.213 41.816 42.059 -0.050 0.000 0.953 99 L HN 0.012 8.242 8.230 -0.000 0.000 0.452 100 K N -0.058 120.313 120.400 -0.048 0.000 3.230 100 K HA -0.168 4.173 4.320 0.034 0.000 0.285 100 K C -0.379 176.179 176.600 -0.071 0.000 1.196 100 K CA 0.377 56.636 56.287 -0.048 0.000 0.838 100 K CB -1.697 30.783 32.500 -0.033 0.000 1.262 100 K HN 0.245 8.495 8.250 -0.000 0.000 0.492 101 L N -0.070 121.092 121.223 -0.102 0.000 2.352 101 L HA 0.266 4.626 4.340 0.034 0.000 0.269 101 L C 1.313 178.107 176.870 -0.128 0.000 1.034 101 L CA -0.789 53.958 54.840 -0.154 0.000 0.806 101 L CB 0.975 42.894 42.059 -0.233 0.000 1.244 101 L HN 0.007 8.237 8.230 -0.000 0.000 0.447 102 D N -0.155 120.173 120.400 -0.121 0.000 2.271 102 D HA 0.023 4.683 4.640 0.034 0.000 0.206 102 D C -0.526 175.796 176.300 0.036 0.000 0.967 102 D CA 1.170 55.159 54.000 -0.018 0.000 0.867 102 D CB 0.502 41.341 40.800 0.065 0.000 0.960 102 D HN 0.434 8.804 8.370 -0.000 0.000 0.509 103 Y N -1.338 118.892 120.300 -0.118 0.000 2.609 103 Y HA 0.542 5.112 4.550 0.033 0.000 0.336 103 Y C -1.532 174.268 175.900 -0.168 0.000 1.129 103 Y CA -1.353 56.657 58.100 -0.150 0.000 1.040 103 Y CB 0.667 39.042 38.460 -0.142 0.000 1.310 103 Y HN -0.359 7.921 8.280 -0.000 0.000 0.460 104 L N 2.868 124.027 121.223 -0.107 0.000 2.334 104 L HA 0.369 4.729 4.340 0.034 0.000 0.275 104 L C 0.452 177.269 176.870 -0.087 0.000 1.036 104 L CA -0.640 54.089 54.840 -0.184 0.000 0.807 104 L CB 1.321 43.277 42.059 -0.171 0.000 1.231 104 L HN 0.827 9.057 8.230 -0.000 0.000 0.438 105 D N 1.265 121.486 120.400 -0.297 0.000 2.183 105 D HA 0.001 4.662 4.640 0.034 0.000 0.203 105 D C -0.028 176.015 176.300 -0.428 0.000 0.969 105 D CA 1.428 55.120 54.000 -0.514 0.000 0.842 105 D CB 0.590 40.580 40.800 -1.351 0.000 0.957 105 D HN 0.084 8.454 8.370 -0.000 0.000 0.484 106 L N -0.219 120.836 121.223 -0.280 0.000 2.526 106 L HA 0.318 4.678 4.340 0.034 0.000 0.263 106 L C -2.092 174.819 176.870 0.068 0.000 0.943 106 L CA -0.879 53.927 54.840 -0.057 0.000 0.859 106 L CB 2.146 44.248 42.059 0.071 0.000 1.313 106 L HN -0.230 8.000 8.230 -0.000 0.000 0.406 107 Y N 5.059 125.306 120.300 -0.088 0.000 2.361 107 Y HA 0.743 5.312 4.550 0.032 0.000 0.337 107 Y C -1.441 174.420 175.900 -0.066 0.000 0.965 107 Y CA -1.014 57.033 58.100 -0.088 0.000 1.091 107 Y CB 1.518 39.910 38.460 -0.113 0.000 1.182 107 Y HN 0.573 8.853 8.280 -0.000 0.000 0.450 108 L N 6.539 127.576 121.223 -0.310 0.000 2.334 108 L HA 0.531 4.892 4.340 0.034 0.000 0.273 108 L C -0.345 176.301 176.870 -0.373 0.000 1.013 108 L CA -1.084 53.597 54.840 -0.265 0.000 0.816 108 L CB 1.966 43.907 42.059 -0.196 0.000 1.278 108 L HN 0.523 8.753 8.230 -0.000 0.000 0.431 109 I N 1.775 122.222 120.570 -0.205 0.000 2.505 109 I HA -0.059 4.132 4.170 0.034 0.000 0.287 109 I C 1.309 177.423 176.117 -0.005 0.000 1.104 109 I CA 0.197 61.434 61.300 -0.105 0.000 1.387 109 I CB 0.452 38.467 38.000 0.025 0.000 1.404 109 I HN 0.721 8.931 8.210 -0.000 0.000 0.528 110 H N 5.824 124.844 119.070 -0.084 0.000 2.321 110 H HA -0.063 4.513 4.556 0.033 0.000 0.300 110 H C -0.271 174.874 175.328 -0.304 0.000 1.087 110 H CA 1.232 57.210 56.048 -0.116 0.000 1.319 110 H CB 0.431 30.246 29.762 0.088 0.000 1.379 110 H HN 0.536 8.816 8.280 -0.000 0.000 0.501 111 W N -1.248 120.077 121.300 0.041 0.000 3.033 111 W HA 0.274 4.951 4.660 0.028 0.000 0.336 111 W C -1.888 174.574 176.519 -0.096 0.000 1.173 111 W CA -2.133 55.150 57.345 -0.104 0.000 1.185 111 W CB 1.366 30.579 29.460 -0.412 0.000 1.425 111 W HN -0.118 8.062 8.180 -0.000 0.000 0.536 112 P HA -0.004 4.416 4.420 -0.000 0.000 0.245 112 P C 0.272 177.418 177.300 -0.257 0.000 1.212 112 P CA 0.617 63.469 63.100 -0.413 0.000 0.774 112 P CB 0.013 31.085 31.700 -1.047 0.000 0.999 113 T N -2.113 112.218 114.554 -0.371 0.000 2.743 113 T HA 0.601 4.972 4.350 0.034 0.000 0.292 113 T C 0.619 174.832 174.700 -0.811 0.000 0.972 113 T CA -0.766 60.892 62.100 -0.737 0.000 0.967 113 T CB 1.494 69.789 68.868 -0.956 0.000 0.926 113 T HN -0.013 8.227 8.240 -0.000 0.000 0.459 114 G N 2.810 111.352 108.800 -0.431 0.000 2.415 114 G HA2 0.546 4.526 3.960 0.034 0.000 0.269 114 G HA3 0.546 4.526 3.960 0.034 0.000 0.269 114 G C -0.937 173.941 174.900 -0.038 0.000 1.209 114 G CA -0.517 44.251 45.100 -0.554 0.000 0.835 114 G HN 0.583 8.873 8.290 -0.000 0.000 0.534 115 F N 0.019 119.785 119.950 -0.307 0.000 2.556 115 F HA 0.480 5.023 4.527 0.026 0.000 0.327 115 F C 0.679 176.407 175.800 -0.121 0.000 1.059 115 F CA -2.172 55.728 58.000 -0.166 0.000 0.953 115 F CB 1.818 40.684 39.000 -0.223 0.000 1.227 115 F HN 0.408 8.708 8.300 -0.000 0.000 0.478 116 K N 4.565 125.046 120.400 0.135 0.000 2.491 116 K HA 0.046 4.386 4.320 0.034 0.000 0.279 116 K C -2.426 174.193 176.600 0.031 0.000 1.026 116 K CA -0.912 55.408 56.287 0.055 0.000 1.070 116 K CB 0.163 32.682 32.500 0.031 0.000 0.887 116 K HN 0.225 8.475 8.250 -0.000 0.000 0.481 117 P HA 0.137 4.557 4.420 -0.000 0.000 0.271 117 P C 0.004 177.290 177.300 -0.023 0.000 1.233 117 P CA 0.022 63.085 63.100 -0.061 0.000 0.789 117 P CB 0.816 32.487 31.700 -0.049 0.000 0.951 118 G N 0.269 109.047 108.800 -0.038 0.000 2.369 118 G HA2 -0.036 3.944 3.960 0.034 0.000 0.293 118 G HA3 -0.036 3.944 3.960 0.034 0.000 0.293 118 G C 0.255 175.177 174.900 0.037 0.000 1.301 118 G CA -0.545 44.562 45.100 0.011 0.000 0.913 118 G HN 0.308 8.598 8.290 -0.000 0.000 0.540 119 K N 0.016 120.441 120.400 0.041 0.000 2.148 119 K HA 0.011 4.352 4.320 0.034 0.000 0.204 119 K C 0.676 177.258 176.600 -0.029 0.000 1.050 119 K CA 0.831 57.135 56.287 0.028 0.000 0.942 119 K CB 0.049 32.550 32.500 0.002 0.000 0.724 119 K HN 0.523 8.773 8.250 -0.000 0.000 0.446 120 E N 0.620 120.828 120.200 0.013 0.000 2.259 120 E HA 0.021 4.391 4.350 0.034 0.000 0.281 120 E C 0.293 177.024 176.600 0.220 0.000 1.037 120 E CA -0.433 55.981 56.400 0.024 0.000 0.854 120 E CB 0.490 30.230 29.700 0.067 0.000 1.051 120 E HN -0.007 8.353 8.360 -0.000 0.000 0.409 121 F N 1.325 121.387 119.950 0.186 0.000 2.234 121 F HA -0.022 4.524 4.527 0.031 0.000 0.299 121 F C 0.780 176.731 175.800 0.251 0.000 1.087 121 F CA 0.638 58.773 58.000 0.224 0.000 1.340 121 F CB -0.055 38.912 39.000 -0.056 0.000 1.031 121 F HN 0.356 8.656 8.300 -0.000 0.000 0.500 122 F N 1.652 121.860 119.950 0.430 0.000 2.564 122 F HA 0.347 4.897 4.527 0.038 0.000 0.361 122 F C -2.337 173.477 175.800 0.022 0.000 1.161 122 F CA -2.888 55.229 58.000 0.195 0.000 1.198 122 F CB 0.344 39.416 39.000 0.120 0.000 1.424 122 F HN -0.282 8.018 8.300 -0.000 0.000 0.517 123 P HA 0.178 4.598 4.420 -0.000 0.000 0.271 123 P C -0.655 176.625 177.300 -0.033 0.000 1.226 123 P CA 0.189 63.309 63.100 0.033 0.000 0.765 123 P CB 1.378 33.093 31.700 0.024 0.000 0.835 124 L N 2.995 124.211 121.223 -0.012 0.000 2.334 124 L HA 0.389 4.749 4.340 0.034 0.000 0.273 124 L C 1.003 177.853 176.870 -0.034 0.000 1.013 124 L CA -1.033 53.785 54.840 -0.036 0.000 0.816 124 L CB 1.392 43.437 42.059 -0.023 0.000 1.278 124 L HN 0.362 8.592 8.230 -0.000 0.000 0.431 125 D N -0.010 120.363 120.400 -0.044 0.000 2.447 125 D HA 0.025 4.685 4.640 0.034 0.000 0.265 125 D C 0.589 176.871 176.300 -0.030 0.000 1.250 125 D CA -0.389 53.589 54.000 -0.035 0.000 1.046 125 D CB 0.725 41.501 40.800 -0.040 0.000 1.095 125 D HN 0.309 8.679 8.370 -0.000 0.000 0.555 126 E N -1.182 119.003 120.200 -0.025 0.000 2.338 126 E HA -0.072 4.298 4.350 0.034 0.000 0.197 126 E C 1.438 178.024 176.600 -0.024 0.000 1.007 126 E CA 0.858 57.245 56.400 -0.021 0.000 0.849 126 E CB -0.339 29.350 29.700 -0.017 0.000 0.774 126 E HN 0.495 8.855 8.360 -0.000 0.000 0.506 127 S N -2.038 113.645 115.700 -0.029 0.000 2.557 127 S HA 0.328 4.818 4.470 0.034 0.000 0.223 127 S C 1.392 175.969 174.600 -0.039 0.000 0.969 127 S CA 0.473 58.654 58.200 -0.031 0.000 0.927 127 S CB 0.557 63.738 63.200 -0.032 0.000 0.806 127 S HN 0.213 8.523 8.310 -0.000 0.000 0.489 128 G N 1.109 109.884 108.800 -0.042 0.000 2.176 128 G HA2 -0.237 3.743 3.960 0.034 0.000 0.232 128 G HA3 -0.237 3.743 3.960 0.034 0.000 0.232 128 G C -0.271 174.588 174.900 -0.069 0.000 0.986 128 G CA -0.195 44.873 45.100 -0.052 0.000 0.643 128 G HN 0.626 8.916 8.290 -0.000 0.000 0.522 129 N N -0.179 118.479 118.700 -0.070 0.000 2.529 129 N HA 0.463 5.224 4.740 0.034 0.000 0.278 129 N C 0.270 175.715 175.510 -0.108 0.000 1.146 129 N CA -0.127 52.871 53.050 -0.088 0.000 0.980 129 N CB 2.350 40.791 38.487 -0.077 0.000 1.124 129 N HN 0.195 8.575 8.380 -0.000 0.000 0.458 130 V N 2.511 122.333 119.914 -0.153 0.000 2.740 130 V HA 0.038 4.178 4.120 0.034 0.000 0.303 130 V C -0.267 175.712 176.094 -0.192 0.000 1.054 130 V CA -0.207 61.939 62.300 -0.256 0.000 1.106 130 V CB 0.701 32.215 31.823 -0.515 0.000 0.957 130 V HN 0.352 8.542 8.190 -0.000 0.000 0.486 131 V N 9.832 129.639 119.914 -0.179 0.000 2.408 131 V HA 0.302 4.442 4.120 0.034 0.000 0.267 131 V C -2.002 174.064 176.094 -0.046 0.000 1.047 131 V CA -1.360 60.883 62.300 -0.095 0.000 0.937 131 V CB 0.976 32.766 31.823 -0.056 0.000 0.999 131 V HN 0.843 9.033 8.190 -0.000 0.000 0.472 132 P HA 0.261 4.681 4.420 -0.000 0.000 0.274 132 P C -0.420 176.913 177.300 0.055 0.000 1.246 132 P CA -0.325 62.804 63.100 0.048 0.000 0.795 132 P CB 0.690 32.245 31.700 -0.241 0.000 1.006 133 S N -0.845 114.919 115.700 0.108 0.000 2.608 133 S HA 0.343 4.833 4.470 0.034 0.000 0.291 133 S C 0.311 174.939 174.600 0.045 0.000 1.146 133 S CA -0.575 57.660 58.200 0.058 0.000 1.043 133 S CB 0.631 63.867 63.200 0.060 0.000 1.037 133 S HN 0.462 8.772 8.310 -0.000 0.000 0.520 134 D N 0.407 120.823 120.400 0.028 0.000 2.400 134 D HA 0.038 4.698 4.640 0.034 0.000 0.243 134 D C 0.608 176.937 176.300 0.049 0.000 1.184 134 D CA -0.282 53.733 54.000 0.024 0.000 0.853 134 D CB -1.145 39.663 40.800 0.012 0.000 0.944 134 D HN 0.601 8.971 8.370 -0.000 0.000 0.501 135 T N -0.923 113.676 114.554 0.075 0.000 2.870 135 T HA 0.202 4.573 4.350 0.034 0.000 0.300 135 T C 0.264 175.029 174.700 0.107 0.000 0.989 135 T CA -1.035 61.124 62.100 0.098 0.000 1.139 135 T CB 0.916 69.868 68.868 0.141 0.000 0.920 135 T HN 0.274 8.514 8.240 -0.000 0.000 0.537 136 N N 2.879 121.634 118.700 0.091 0.000 2.466 136 N HA 0.253 5.013 4.740 0.034 0.000 0.294 136 N C 0.911 176.485 175.510 0.107 0.000 1.129 136 N CA -1.283 51.822 53.050 0.092 0.000 0.931 136 N CB 0.565 39.092 38.487 0.067 0.000 1.193 136 N HN 0.606 8.986 8.380 -0.000 0.000 0.500 137 I N 0.806 121.439 120.570 0.106 0.000 2.151 137 I HA -0.325 3.865 4.170 0.034 0.000 0.243 137 I C 1.864 178.080 176.117 0.165 0.000 1.080 137 I CA 1.231 62.606 61.300 0.126 0.000 1.339 137 I CB -0.218 37.834 38.000 0.086 0.000 1.039 137 I HN 0.532 8.742 8.210 -0.000 0.000 0.409 138 L N 0.071 121.376 121.223 0.136 0.000 2.079 138 L HA -0.262 4.098 4.340 0.034 0.000 0.210 138 L C 2.137 179.111 176.870 0.173 0.000 1.081 138 L CA 1.330 56.265 54.840 0.160 0.000 0.752 138 L CB -0.821 41.299 42.059 0.102 0.000 0.896 138 L HN 0.308 8.538 8.230 -0.000 0.000 0.433 139 D N -0.619 119.854 120.400 0.121 0.000 2.144 139 D HA -0.123 4.537 4.640 0.034 0.000 0.200 139 D C 2.191 178.543 176.300 0.087 0.000 0.978 139 D CA 1.508 55.565 54.000 0.095 0.000 0.833 139 D CB -0.160 40.684 40.800 0.073 0.000 0.961 139 D HN 0.264 8.634 8.370 -0.000 0.000 0.470 140 T N 0.308 114.915 114.554 0.089 0.000 2.746 140 T HA -0.162 4.208 4.350 0.034 0.000 0.267 140 T C 1.647 176.387 174.700 0.067 0.000 1.039 140 T CA 0.636 62.752 62.100 0.027 0.000 1.142 140 T CB -0.259 68.548 68.868 -0.102 0.000 0.866 140 T HN 0.366 8.606 8.240 -0.000 0.000 0.444 141 W N 1.887 123.173 121.300 -0.023 0.000 2.358 141 W HA -0.144 4.529 4.660 0.023 0.000 0.303 141 W C 2.543 179.068 176.519 0.010 0.000 1.208 141 W CA 1.183 58.522 57.345 -0.010 0.000 1.274 141 W CB -0.379 29.087 29.460 0.010 0.000 1.138 141 W HN 0.302 8.482 8.180 -0.000 0.000 0.515 142 A N 0.815 123.670 122.820 0.058 0.000 1.940 142 A HA -0.118 4.222 4.320 0.034 0.000 0.219 142 A C 2.119 179.644 177.584 -0.097 0.000 1.176 142 A CA 2.553 54.571 52.037 -0.031 0.000 0.631 142 A CB -1.252 17.771 19.000 0.039 0.000 0.814 142 A HN 0.301 8.451 8.150 -0.000 0.000 0.446 143 A N -0.823 121.954 122.820 -0.072 0.000 1.933 143 A HA -0.112 4.229 4.320 0.034 0.000 0.218 143 A C 2.172 179.677 177.584 -0.132 0.000 1.175 143 A CA 1.867 53.862 52.037 -0.070 0.000 0.628 143 A CB -0.470 18.514 19.000 -0.027 0.000 0.814 143 A HN 0.441 8.591 8.150 -0.000 0.000 0.444 144 M N -0.298 119.156 119.600 -0.243 0.000 2.117 144 M HA -0.156 4.344 4.480 0.034 0.000 0.262 144 M C 1.878 177.960 176.300 -0.363 0.000 1.065 144 M CA 1.538 56.633 55.300 -0.341 0.000 1.114 144 M CB -1.497 30.735 32.600 -0.612 0.000 1.361 144 M HN 0.536 8.826 8.290 -0.000 0.000 0.408 145 E N 0.101 120.048 120.200 -0.422 0.000 2.160 145 E HA -0.192 4.179 4.350 0.034 0.000 0.195 145 E C 1.906 178.483 176.600 -0.038 0.000 0.991 145 E CA 0.935 57.236 56.400 -0.165 0.000 0.810 145 E CB -0.118 29.519 29.700 -0.105 0.000 0.742 145 E HN 0.580 8.940 8.360 -0.000 0.000 0.466 146 E N 0.620 120.776 120.200 -0.073 0.000 2.153 146 E HA -0.176 4.194 4.350 0.034 0.000 0.194 146 E C 2.209 178.774 176.600 -0.060 0.000 0.988 146 E CA 0.689 57.065 56.400 -0.041 0.000 0.811 146 E CB -0.099 29.576 29.700 -0.041 0.000 0.746 146 E HN 0.326 8.686 8.360 -0.000 0.000 0.466 147 L N 0.572 121.739 121.223 -0.094 0.000 2.131 147 L HA -0.170 4.190 4.340 0.034 0.000 0.210 147 L C 2.491 179.283 176.870 -0.130 0.000 1.092 147 L CA 0.634 55.407 54.840 -0.112 0.000 0.759 147 L CB -0.508 41.478 42.059 -0.121 0.000 0.903 147 L HN 0.019 8.249 8.230 -0.000 0.000 0.435 148 V N -0.326 119.493 119.914 -0.157 0.000 2.295 148 V HA -0.280 3.860 4.120 0.034 0.000 0.246 148 V C 1.994 178.006 176.094 -0.137 0.000 1.049 148 V CA 1.926 64.094 62.300 -0.220 0.000 1.024 148 V CB -0.497 31.049 31.823 -0.463 0.000 0.648 148 V HN 0.422 8.612 8.190 -0.000 0.000 0.447 149 D N -0.216 120.157 120.400 -0.044 0.000 2.310 149 D HA -0.103 4.557 4.640 0.034 0.000 0.212 149 D C 1.996 178.276 176.300 -0.033 0.000 0.965 149 D CA 0.825 54.825 54.000 -0.001 0.000 0.879 149 D CB -0.053 40.779 40.800 0.053 0.000 0.921 149 D HN 0.594 8.964 8.370 -0.000 0.000 0.510 150 E N -0.593 119.575 120.200 -0.053 0.000 2.479 150 E HA 0.215 4.585 4.350 0.034 0.000 0.193 150 E C 1.196 177.753 176.600 -0.071 0.000 1.049 150 E CA 0.274 56.640 56.400 -0.057 0.000 0.870 150 E CB 0.563 30.229 29.700 -0.056 0.000 0.944 150 E HN 0.199 8.559 8.360 -0.000 0.000 0.492 151 G N 1.130 109.875 108.800 -0.091 0.000 2.159 151 G HA2 -0.244 3.736 3.960 0.034 0.000 0.256 151 G HA3 -0.244 3.736 3.960 0.034 0.000 0.256 151 G C 0.831 175.675 174.900 -0.093 0.000 0.977 151 G CA 0.105 45.142 45.100 -0.105 0.000 0.652 151 G HN 0.176 8.466 8.290 -0.000 0.000 0.531 152 L N -0.141 121.023 121.223 -0.099 0.000 2.240 152 L HA 0.335 4.695 4.340 0.034 0.000 0.211 152 L C 1.625 178.436 176.870 -0.099 0.000 1.106 152 L CA 1.952 56.730 54.840 -0.102 0.000 0.793 152 L CB -0.928 41.038 42.059 -0.153 0.000 0.927 152 L HN 0.925 9.155 8.230 -0.000 0.000 0.446 153 V N -4.435 115.406 119.914 -0.120 0.000 2.841 153 V HA 0.429 4.570 4.120 0.034 0.000 0.310 153 V C 0.664 176.678 176.094 -0.133 0.000 1.090 153 V CA -0.944 61.289 62.300 -0.110 0.000 0.930 153 V CB 2.398 34.141 31.823 -0.134 0.000 1.014 153 V HN 0.017 8.207 8.190 -0.000 0.000 0.425 154 K N 2.212 122.544 120.400 -0.113 0.000 2.262 154 K HA 0.628 4.968 4.320 0.034 0.000 0.200 154 K C 0.578 177.082 176.600 -0.160 0.000 1.049 154 K CA 1.206 57.397 56.287 -0.159 0.000 0.979 154 K CB 0.767 33.179 32.500 -0.147 0.000 0.773 154 K HN 1.048 9.298 8.250 -0.000 0.000 0.474 155 A N 1.273 124.020 122.820 -0.122 0.000 2.594 155 A HA 0.622 4.962 4.320 0.034 0.000 0.295 155 A C -1.190 176.363 177.584 -0.053 0.000 1.071 155 A CA -0.936 51.049 52.037 -0.086 0.000 0.685 155 A CB 1.110 20.113 19.000 0.005 0.000 1.285 155 A HN 0.219 8.369 8.150 -0.000 0.000 0.405 156 I N -1.079 119.471 120.570 -0.032 0.000 2.785 156 I HA 0.999 5.189 4.170 0.034 0.000 0.302 156 I C 0.160 176.386 176.117 0.181 0.000 1.069 156 I CA -0.782 60.516 61.300 -0.003 0.000 1.045 156 I CB 2.289 40.136 38.000 -0.254 0.000 1.236 156 I HN 0.959 9.169 8.210 -0.000 0.000 0.429 157 G N 3.861 112.774 108.800 0.188 0.000 2.706 157 G HA2 0.708 4.689 3.960 0.034 0.000 0.307 157 G HA3 0.708 4.689 3.960 0.034 0.000 0.307 157 G C -1.323 173.587 174.900 0.017 0.000 1.307 157 G CA -0.828 44.366 45.100 0.157 0.000 0.790 157 G HN 0.987 9.277 8.290 -0.000 0.000 0.503 158 I N -2.697 117.736 120.570 -0.229 0.000 3.042 158 I HA 0.898 5.088 4.170 0.034 0.000 0.310 158 I C -0.872 175.047 176.117 -0.330 0.000 1.117 158 I CA -1.067 59.911 61.300 -0.537 0.000 1.003 158 I CB 2.307 39.500 38.000 -1.345 0.000 1.228 158 I HN 0.622 8.832 8.210 -0.000 0.000 0.443 159 S N 2.326 117.884 115.700 -0.237 0.000 2.546 159 S HA 0.427 4.917 4.470 0.034 0.000 0.272 159 S C -0.268 174.324 174.600 -0.014 0.000 1.140 159 S CA -0.480 57.658 58.200 -0.103 0.000 0.920 159 S CB 0.857 63.961 63.200 -0.161 0.000 1.083 159 S HN 0.935 9.245 8.310 -0.000 0.000 0.476 160 N N 1.205 119.886 118.700 -0.032 0.000 2.741 160 N HA -0.148 4.612 4.740 0.034 0.000 0.250 160 N C -1.117 174.438 175.510 0.074 0.000 1.115 160 N CA 0.850 53.853 53.050 -0.078 0.000 0.724 160 N CB -1.432 36.656 38.487 -0.665 0.000 1.090 160 N HN 0.455 8.835 8.380 -0.000 0.000 0.558 161 F N 1.940 121.814 119.950 -0.128 0.000 2.410 161 F HA 0.246 4.792 4.527 0.031 0.000 0.348 161 F C 1.494 177.258 175.800 -0.062 0.000 1.106 161 F CA -1.198 56.736 58.000 -0.110 0.000 1.163 161 F CB 0.574 39.510 39.000 -0.108 0.000 1.129 161 F HN 0.093 8.393 8.300 -0.000 0.000 0.516 162 N N 0.981 119.699 118.700 0.031 0.000 2.364 162 N HA 0.042 4.802 4.740 0.034 0.000 0.264 162 N C 1.121 176.644 175.510 0.022 0.000 1.263 162 N CA -0.105 52.959 53.050 0.023 0.000 0.959 162 N CB -0.134 38.322 38.487 -0.052 0.000 1.204 162 N HN 0.706 9.086 8.380 -0.000 0.000 0.550 163 H N -0.819 118.125 119.070 -0.209 0.000 2.319 163 H HA -0.023 4.553 4.556 0.033 0.000 0.297 163 H C 1.482 176.632 175.328 -0.298 0.000 1.097 163 H CA 1.940 57.783 56.048 -0.340 0.000 1.285 163 H CB 0.037 29.267 29.762 -0.887 0.000 1.368 163 H HN 0.447 8.727 8.280 -0.000 0.000 0.495 164 L N 0.004 121.201 121.223 -0.043 0.000 2.156 164 L HA -0.135 4.226 4.340 0.034 0.000 0.208 164 L C 2.537 179.395 176.870 -0.019 0.000 1.095 164 L CA 0.972 55.783 54.840 -0.049 0.000 0.770 164 L CB -0.276 41.715 42.059 -0.113 0.000 0.914 164 L HN 0.444 8.674 8.230 -0.000 0.000 0.439 165 Q N -0.668 119.117 119.800 -0.024 0.000 2.123 165 Q HA -0.120 4.240 4.340 0.034 0.000 0.199 165 Q C 2.378 178.467 176.000 0.148 0.000 0.966 165 Q CA 1.104 56.909 55.803 0.004 0.000 0.845 165 Q CB -0.049 28.587 28.738 -0.170 0.000 0.907 165 Q HN 0.318 8.588 8.270 -0.000 0.000 0.439 166 V N 1.386 121.395 119.914 0.157 0.000 2.287 166 V HA -0.304 3.837 4.120 0.034 0.000 0.248 166 V C 2.185 178.331 176.094 0.086 0.000 1.053 166 V CA 2.233 64.600 62.300 0.113 0.000 1.027 166 V CB -0.608 31.296 31.823 0.135 0.000 0.646 166 V HN 0.424 8.614 8.190 -0.000 0.000 0.447 167 E N -0.548 119.721 120.200 0.116 0.000 2.118 167 E HA -0.282 4.088 4.350 0.034 0.000 0.195 167 E C 2.220 178.849 176.600 0.048 0.000 0.992 167 E CA 1.681 58.153 56.400 0.121 0.000 0.804 167 E CB -0.158 29.603 29.700 0.101 0.000 0.741 167 E HN 0.535 8.895 8.360 -0.000 0.000 0.458 168 M N 0.263 119.879 119.600 0.026 0.000 2.073 168 M HA -0.216 4.285 4.480 0.034 0.000 0.258 168 M C 2.118 178.403 176.300 -0.025 0.000 1.070 168 M CA 1.757 57.060 55.300 0.006 0.000 1.103 168 M CB -0.131 32.474 32.600 0.007 0.000 1.321 168 M HN 0.195 8.485 8.290 -0.000 0.000 0.405 169 I N -0.388 120.137 120.570 -0.075 0.000 2.252 169 I HA -0.314 3.876 4.170 0.034 0.000 0.245 169 I C 2.088 178.099 176.117 -0.177 0.000 1.102 169 I CA 1.135 62.307 61.300 -0.213 0.000 1.385 169 I CB -0.476 37.214 38.000 -0.517 0.000 1.064 169 I HN 0.308 8.518 8.210 -0.000 0.000 0.414 170 L N 0.651 121.798 121.223 -0.125 0.000 2.127 170 L HA -0.218 4.142 4.340 0.034 0.000 0.211 170 L C 1.462 178.312 176.870 -0.032 0.000 1.089 170 L CA 1.165 55.958 54.840 -0.077 0.000 0.757 170 L CB -0.604 41.434 42.059 -0.036 0.000 0.899 170 L HN 0.365 8.595 8.230 -0.000 0.000 0.434 171 N N -0.069 118.623 118.700 -0.014 0.000 2.270 171 N HA 0.005 4.765 4.740 0.034 0.000 0.198 171 N C 0.348 175.859 175.510 0.003 0.000 1.117 171 N CA 0.155 53.207 53.050 0.004 0.000 0.845 171 N CB 0.126 38.623 38.487 0.017 0.000 0.980 171 N HN 0.258 8.638 8.380 -0.000 0.000 0.486 172 K N 2.350 122.747 120.400 -0.005 0.000 2.472 172 K HA 0.065 4.405 4.320 0.034 0.000 0.280 172 K C -2.420 174.196 176.600 0.027 0.000 1.028 172 K CA -1.066 55.231 56.287 0.018 0.000 1.045 172 K CB 0.454 32.976 32.500 0.035 0.000 0.902 172 K HN -0.122 8.128 8.250 -0.000 0.000 0.478 173 P HA 0.018 4.438 4.420 -0.000 0.000 0.264 173 P C 0.096 177.413 177.300 0.028 0.000 1.193 173 P CA 0.662 63.776 63.100 0.023 0.000 0.763 173 P CB 0.751 32.464 31.700 0.022 0.000 0.810 174 G N 2.123 110.933 108.800 0.016 0.000 2.148 174 G HA2 -0.281 3.699 3.960 0.034 0.000 0.254 174 G HA3 -0.281 3.699 3.960 0.034 0.000 0.254 174 G C 0.009 174.917 174.900 0.012 0.000 0.981 174 G CA -0.280 44.825 45.100 0.008 0.000 0.670 174 G HN 0.607 8.897 8.290 -0.000 0.000 0.528 175 L N 0.309 121.551 121.223 0.033 0.000 2.601 175 L HA 0.373 4.733 4.340 0.034 0.000 0.277 175 L C 1.500 178.368 176.870 -0.004 0.000 1.219 175 L CA 1.805 56.686 54.840 0.067 0.000 0.915 175 L CB 0.543 42.638 42.059 0.060 0.000 1.160 175 L HN 0.293 8.523 8.230 -0.000 0.000 0.494 176 K N 3.547 123.918 120.400 -0.049 0.000 2.214 176 K HA 0.099 4.439 4.320 0.034 0.000 0.201 176 K C -0.614 175.698 176.600 -0.480 0.000 1.049 176 K CA 0.343 56.431 56.287 -0.331 0.000 0.978 176 K CB 0.278 32.473 32.500 -0.509 0.000 0.842 176 K HN 0.576 8.826 8.250 -0.000 0.000 0.474 177 Y N 1.578 121.975 120.300 0.162 0.000 2.338 177 Y HA 0.341 4.910 4.550 0.032 0.000 0.333 177 Y C -0.626 175.473 175.900 0.332 0.000 0.968 177 Y CA -1.182 57.023 58.100 0.176 0.000 1.123 177 Y CB 1.540 40.055 38.460 0.092 0.000 1.165 177 Y HN -0.224 8.056 8.280 -0.000 0.000 0.452 178 K N 4.219 124.816 120.400 0.329 0.000 2.319 178 K HA 0.225 4.565 4.320 0.034 0.000 0.265 178 K C -2.497 174.270 176.600 0.278 0.000 1.000 178 K CA -1.569 54.836 56.287 0.196 0.000 0.943 178 K CB 0.133 32.672 32.500 0.066 0.000 0.950 178 K HN 0.293 8.543 8.250 -0.000 0.000 0.485 179 P HA -0.057 4.363 4.420 -0.000 0.000 0.268 179 P C -0.435 176.898 177.300 0.056 0.000 1.204 179 P CA 0.274 63.421 63.100 0.078 0.000 0.768 179 P CB 0.933 32.459 31.700 -0.290 0.000 0.842 180 A N 3.194 126.072 122.820 0.096 0.000 1.975 180 A HA 0.163 4.504 4.320 0.034 0.000 0.215 180 A C 0.666 178.255 177.584 0.008 0.000 1.170 180 A CA 1.251 53.318 52.037 0.049 0.000 0.656 180 A CB 0.035 19.078 19.000 0.072 0.000 0.821 180 A HN 0.421 8.571 8.150 -0.000 0.000 0.449 181 V N 0.079 119.991 119.914 -0.003 0.000 2.971 181 V HA 0.390 4.530 4.120 0.034 0.000 0.309 181 V C -1.492 174.559 176.094 -0.072 0.000 1.130 181 V CA -0.988 61.298 62.300 -0.023 0.000 0.964 181 V CB 2.070 33.903 31.823 0.016 0.000 1.029 181 V HN 0.379 8.569 8.190 -0.000 0.000 0.427 182 N N 2.689 121.345 118.700 -0.073 0.000 2.483 182 N HA 0.297 5.058 4.740 0.034 0.000 0.267 182 N C -0.804 174.687 175.510 -0.031 0.000 0.998 182 N CA -0.363 52.634 53.050 -0.088 0.000 0.918 182 N CB 1.865 40.303 38.487 -0.081 0.000 1.215 182 N HN 0.801 9.181 8.380 -0.000 0.000 0.500 183 Q N 4.651 124.445 119.800 -0.010 0.000 2.322 183 Q HA 0.482 4.843 4.340 0.034 0.000 0.256 183 Q C -0.588 175.480 176.000 0.113 0.000 0.960 183 Q CA -0.514 55.333 55.803 0.074 0.000 0.934 183 Q CB 0.452 29.249 28.738 0.100 0.000 1.200 183 Q HN 0.736 9.006 8.270 -0.000 0.000 0.435 184 I N -0.299 120.275 120.570 0.007 0.000 2.969 184 I HA 0.548 4.738 4.170 0.034 0.000 0.307 184 I C -0.746 174.913 176.117 -0.763 0.000 1.149 184 I CA -1.239 59.929 61.300 -0.220 0.000 1.008 184 I CB 2.094 40.026 38.000 -0.113 0.000 1.232 184 I HN 0.504 8.714 8.210 -0.000 0.000 0.435 185 E N 2.561 122.061 120.200 -1.166 0.000 2.344 185 E HA 0.335 4.705 4.350 0.034 0.000 0.270 185 E C -1.534 174.775 176.600 -0.485 0.000 1.021 185 E CA -0.230 55.529 56.400 -1.068 0.000 0.887 185 E CB 1.088 30.414 29.700 -0.624 0.000 0.997 185 E HN 0.740 9.100 8.360 -0.000 0.000 0.429 186 C N 5.467 124.571 119.300 -0.327 0.000 2.931 186 C HA 0.592 5.072 4.460 0.034 0.000 0.370 186 C C -1.762 173.156 174.990 -0.119 0.000 1.071 186 C CA -0.354 58.497 59.018 -0.278 0.000 1.266 186 C CB 0.132 27.760 27.740 -0.187 0.000 1.691 186 C HN 1.068 9.298 8.230 -0.000 0.000 0.511 187 H N 2.303 121.439 119.070 0.109 0.000 2.887 187 H HA 0.474 5.051 4.556 0.034 0.000 0.290 187 H C -3.006 172.479 175.328 0.263 0.000 1.429 187 H CA -1.193 54.970 56.048 0.192 0.000 1.137 187 H CB -0.032 29.809 29.762 0.131 0.000 1.824 187 H HN 0.074 8.354 8.280 -0.000 0.000 0.520 188 P HA -0.109 4.311 4.420 -0.000 0.000 0.222 188 P C 0.287 177.835 177.300 0.414 0.000 1.147 188 P CA 1.361 64.611 63.100 0.249 0.000 0.790 188 P CB -0.014 31.663 31.700 -0.039 0.000 0.780 189 Y N -1.865 118.784 120.300 0.582 0.000 2.490 189 Y HA 0.347 4.917 4.550 0.033 0.000 0.281 189 Y C 0.951 177.074 175.900 0.371 0.000 1.174 189 Y CA -0.528 57.870 58.100 0.498 0.000 1.295 189 Y CB -0.250 38.542 38.460 0.554 0.000 1.062 189 Y HN -0.133 8.147 8.280 -0.000 0.000 0.522 190 L N 0.245 121.593 121.223 0.207 0.000 2.490 190 L HA 0.276 4.636 4.340 0.034 0.000 0.261 190 L C 0.722 177.528 176.870 -0.107 0.000 1.232 190 L CA 0.103 54.914 54.840 -0.048 0.000 0.892 190 L CB 0.391 42.281 42.059 -0.282 0.000 1.085 190 L HN 0.059 8.289 8.230 -0.000 0.000 0.491 191 T N -1.932 112.634 114.554 0.020 0.000 3.057 191 T HA 0.087 4.457 4.350 0.034 0.000 0.254 191 T C 0.610 175.290 174.700 -0.034 0.000 1.094 191 T CA 0.505 62.622 62.100 0.028 0.000 1.088 191 T CB -0.011 68.921 68.868 0.107 0.000 0.934 191 T HN 0.520 8.760 8.240 -0.000 0.000 0.497 192 Q N 0.274 120.056 119.800 -0.030 0.000 2.502 192 Q HA -0.192 4.168 4.340 0.034 0.000 0.273 192 Q C 0.724 176.702 176.000 -0.037 0.000 1.127 192 Q CA 0.935 56.719 55.803 -0.031 0.000 0.952 192 Q CB -1.897 26.806 28.738 -0.058 0.000 1.333 192 Q HN 0.749 9.019 8.270 -0.000 0.000 0.494 193 E N 0.733 120.904 120.200 -0.049 0.000 2.077 193 E HA -0.184 4.187 4.350 0.034 0.000 0.193 193 E C 1.800 178.348 176.600 -0.087 0.000 0.989 193 E CA 1.432 57.795 56.400 -0.062 0.000 0.800 193 E CB 0.026 29.695 29.700 -0.052 0.000 0.746 193 E HN 0.432 8.792 8.360 -0.000 0.000 0.452 194 K N 0.799 121.095 120.400 -0.173 0.000 2.001 194 K HA -0.163 4.177 4.320 0.034 0.000 0.208 194 K C 2.251 178.824 176.600 -0.046 0.000 1.048 194 K CA 0.807 56.903 56.287 -0.319 0.000 0.932 194 K CB -0.102 31.789 32.500 -1.014 0.000 0.715 194 K HN -0.008 8.242 8.250 -0.000 0.000 0.437 195 L N 1.473 122.764 121.223 0.113 0.000 2.093 195 L HA -0.050 4.310 4.340 0.034 0.000 0.208 195 L C 1.893 178.844 176.870 0.136 0.000 1.085 195 L CA 1.438 56.439 54.840 0.269 0.000 0.755 195 L CB -0.286 41.933 42.059 0.266 0.000 0.904 195 L HN 0.268 8.498 8.230 -0.000 0.000 0.435 196 I N -0.840 119.758 120.570 0.047 0.000 2.179 196 I HA -0.298 3.893 4.170 0.034 0.000 0.242 196 I C 2.567 178.685 176.117 0.001 0.000 1.088 196 I CA 1.360 62.659 61.300 -0.002 0.000 1.357 196 I CB -0.468 37.503 38.000 -0.048 0.000 1.051 196 I HN 0.424 8.634 8.210 -0.000 0.000 0.409 197 Q N 0.336 120.145 119.800 0.015 0.000 2.124 197 Q HA -0.261 4.100 4.340 0.034 0.000 0.202 197 Q C 2.204 178.232 176.000 0.045 0.000 0.977 197 Q CA 1.886 57.699 55.803 0.015 0.000 0.850 197 Q CB -0.343 28.405 28.738 0.016 0.000 0.901 197 Q HN 0.545 8.815 8.270 -0.000 0.000 0.429 198 Y N 0.440 120.724 120.300 -0.026 0.000 2.114 198 Y HA -0.264 4.306 4.550 0.032 0.000 0.284 198 Y C 2.555 178.407 175.900 -0.081 0.000 1.143 198 Y CA 1.804 59.870 58.100 -0.057 0.000 1.135 198 Y CB -0.721 37.650 38.460 -0.149 0.000 0.980 198 Y HN 0.206 8.486 8.280 -0.000 0.000 0.499 199 C N 0.573 119.813 119.300 -0.101 0.000 2.413 199 C HA -0.237 4.243 4.460 0.034 0.000 0.276 199 C C 2.646 177.522 174.990 -0.191 0.000 1.236 199 C CA 1.587 60.493 59.018 -0.188 0.000 1.735 199 C CB -1.227 26.472 27.740 -0.068 0.000 2.031 199 C HN 0.634 8.864 8.230 -0.000 0.000 0.474 200 Q N 0.834 120.560 119.800 -0.122 0.000 2.124 200 Q HA -0.158 4.203 4.340 0.034 0.000 0.202 200 Q C 2.369 178.295 176.000 -0.123 0.000 0.977 200 Q CA 1.881 57.621 55.803 -0.105 0.000 0.850 200 Q CB -0.327 28.366 28.738 -0.075 0.000 0.901 200 Q HN 0.859 9.129 8.270 -0.000 0.000 0.429 201 S N 0.299 115.912 115.700 -0.145 0.000 2.447 201 S HA -0.051 4.440 4.470 0.034 0.000 0.233 201 S C 1.523 176.014 174.600 -0.182 0.000 1.006 201 S CA 0.698 58.815 58.200 -0.138 0.000 0.957 201 S CB 0.120 63.255 63.200 -0.108 0.000 0.773 201 S HN 0.105 8.415 8.310 -0.000 0.000 0.507 202 K N 0.735 120.975 120.400 -0.267 0.000 2.372 202 K HA 0.286 4.627 4.320 0.034 0.000 0.200 202 K C 1.175 177.678 176.600 -0.162 0.000 1.022 202 K CA 0.507 56.643 56.287 -0.251 0.000 1.125 202 K CB -0.086 32.178 32.500 -0.393 0.000 0.855 202 K HN 0.550 8.800 8.250 -0.000 0.000 0.524 203 G N 2.224 110.945 108.800 -0.132 0.000 2.198 203 G HA2 -0.258 3.722 3.960 0.034 0.000 0.260 203 G HA3 -0.258 3.722 3.960 0.034 0.000 0.260 203 G C 0.020 174.869 174.900 -0.086 0.000 1.025 203 G CA -0.003 45.043 45.100 -0.090 0.000 0.769 203 G HN 0.312 8.602 8.290 -0.000 0.000 0.507 204 I N 0.668 121.170 120.570 -0.113 0.000 2.304 204 I HA 0.308 4.499 4.170 0.034 0.000 0.291 204 I C 0.828 176.897 176.117 -0.080 0.000 1.018 204 I CA -1.017 60.225 61.300 -0.097 0.000 1.260 204 I CB 1.590 39.514 38.000 -0.126 0.000 1.390 204 I HN -0.119 8.091 8.210 -0.000 0.000 0.475 205 V N 7.665 127.543 119.914 -0.060 0.000 2.555 205 V HA 0.106 4.246 4.120 0.034 0.000 0.286 205 V C 0.341 176.406 176.094 -0.047 0.000 1.044 205 V CA -0.341 61.926 62.300 -0.054 0.000 1.026 205 V CB 1.440 33.233 31.823 -0.050 0.000 0.981 205 V HN 0.374 8.564 8.190 -0.000 0.000 0.480 206 V N 4.574 124.458 119.914 -0.049 0.000 2.439 206 V HA 0.344 4.484 4.120 0.034 0.000 0.282 206 V C 0.401 176.480 176.094 -0.025 0.000 1.039 206 V CA -0.299 61.977 62.300 -0.041 0.000 0.913 206 V CB 1.810 33.602 31.823 -0.052 0.000 0.983 206 V HN 0.963 9.153 8.190 -0.000 0.000 0.460 207 T N 4.471 119.028 114.554 0.005 0.000 2.767 207 T HA 0.587 4.957 4.350 0.034 0.000 0.284 207 T C 0.153 174.876 174.700 0.038 0.000 0.973 207 T CA -0.224 61.903 62.100 0.045 0.000 0.996 207 T CB 1.373 70.306 68.868 0.109 0.000 0.927 207 T HN 0.873 9.113 8.240 -0.000 0.000 0.456 208 A N 3.986 126.820 122.820 0.022 0.000 2.302 208 A HA 0.600 4.940 4.320 0.034 0.000 0.295 208 A C -0.311 177.347 177.584 0.124 0.000 1.235 208 A CA -0.654 51.384 52.037 0.003 0.000 0.876 208 A CB -0.332 18.650 19.000 -0.031 0.000 1.133 208 A HN 0.825 8.975 8.150 -0.000 0.000 0.533 209 Y N 0.951 121.303 120.300 0.087 0.000 2.432 209 Y HA 0.566 5.136 4.550 0.033 0.000 0.322 209 Y C 0.584 176.598 175.900 0.190 0.000 1.246 209 Y CA -1.314 56.867 58.100 0.135 0.000 1.268 209 Y CB 0.453 38.998 38.460 0.141 0.000 1.276 209 Y HN 0.761 9.041 8.280 -0.000 0.000 0.499 210 S N 1.289 117.322 115.700 0.555 0.000 3.559 210 S HA -0.130 4.361 4.470 0.034 0.000 0.369 210 S C -1.764 173.033 174.600 0.329 0.000 0.987 210 S CA 0.654 59.117 58.200 0.438 0.000 1.187 210 S CB -1.345 62.187 63.200 0.553 0.000 0.914 210 S HN 0.857 9.167 8.310 -0.000 0.000 0.480 211 P HA -0.002 4.418 4.420 -0.000 0.000 0.226 211 P C 0.911 178.309 177.300 0.162 0.000 1.153 211 P CA 0.747 63.976 63.100 0.215 0.000 0.777 211 P CB -0.012 31.780 31.700 0.155 0.000 0.794 212 L N -1.712 119.580 121.223 0.115 0.000 2.628 212 L HA 0.373 4.733 4.340 0.034 0.000 0.229 212 L C 1.421 178.296 176.870 0.008 0.000 1.137 212 L CA 0.466 55.337 54.840 0.052 0.000 0.909 212 L CB -0.803 41.285 42.059 0.049 0.000 1.137 212 L HN 0.050 8.280 8.230 -0.000 0.000 0.470 213 G N -0.071 108.723 108.800 -0.010 0.000 2.143 213 G HA2 -0.339 3.642 3.960 0.034 0.000 0.248 213 G HA3 -0.339 3.642 3.960 0.034 0.000 0.248 213 G C 0.517 175.470 174.900 0.088 0.000 0.991 213 G CA 0.356 45.433 45.100 -0.038 0.000 0.689 213 G HN 0.319 8.609 8.290 -0.000 0.000 0.522 214 S N -0.313 115.440 115.700 0.088 0.000 3.405 214 S HA -0.151 4.339 4.470 0.034 0.000 0.373 214 S C 0.104 174.681 174.600 -0.038 0.000 0.939 214 S CA 1.094 59.315 58.200 0.035 0.000 1.295 214 S CB -0.231 63.042 63.200 0.121 0.000 0.919 214 S HN 0.661 8.971 8.310 -0.000 0.000 0.535 215 P HA -0.070 4.350 4.420 -0.000 0.000 0.222 215 P C 0.788 178.019 177.300 -0.115 0.000 1.147 215 P CA 1.347 64.426 63.100 -0.035 0.000 0.790 215 P CB -0.134 31.553 31.700 -0.020 0.000 0.780 216 D N -0.288 119.997 120.400 -0.193 0.000 2.328 216 D HA -0.047 4.614 4.640 0.034 0.000 0.221 216 D C 0.774 176.812 176.300 -0.436 0.000 1.072 216 D CA -0.257 53.578 54.000 -0.274 0.000 0.850 216 D CB -0.697 39.936 40.800 -0.279 0.000 0.922 216 D HN 0.259 8.629 8.370 -0.000 0.000 0.516 217 R N 0.984 121.178 120.500 -0.510 0.000 2.570 217 R HA 0.138 4.499 4.340 0.034 0.000 0.277 217 R C -1.681 174.151 176.300 -0.781 0.000 1.039 217 R CA -0.887 54.708 56.100 -0.842 0.000 1.065 217 R CB 0.006 29.720 30.300 -0.976 0.000 0.964 217 R HN -0.178 8.092 8.270 -0.000 0.000 0.428 218 P HA -0.124 4.296 4.420 -0.000 0.000 0.222 218 P C 0.180 177.446 177.300 -0.056 0.000 1.147 218 P CA 1.133 64.079 63.100 -0.257 0.000 0.790 218 P CB -0.125 31.558 31.700 -0.030 0.000 0.780 219 W N -1.189 120.155 121.300 0.073 0.000 3.223 219 W HA 0.683 5.364 4.660 0.035 0.000 0.389 219 W C 0.037 176.607 176.519 0.086 0.000 1.118 219 W CA -0.994 56.395 57.345 0.075 0.000 1.902 219 W CB -1.201 28.309 29.460 0.084 0.000 1.094 219 W HN -0.150 8.030 8.180 -0.000 0.000 0.666 220 A N 2.573 125.385 122.820 -0.013 0.000 2.540 220 A HA 0.269 4.609 4.320 0.034 0.000 0.239 220 A C 0.517 178.178 177.584 0.128 0.000 1.061 220 A CA 0.043 52.123 52.037 0.071 0.000 0.758 220 A CB 0.275 19.266 19.000 -0.016 0.000 0.991 220 A HN 0.344 8.494 8.150 -0.000 0.000 0.502 221 K N 2.645 123.146 120.400 0.168 0.000 2.123 221 K HA 0.358 4.699 4.320 0.034 0.000 0.248 221 K C -2.190 174.464 176.600 0.090 0.000 0.969 221 K CA -1.779 54.582 56.287 0.125 0.000 0.882 221 K CB 0.916 33.501 32.500 0.141 0.000 1.080 221 K HN 0.261 8.511 8.250 -0.000 0.000 0.441 222 P HA -0.175 4.245 4.420 -0.000 0.000 0.225 222 P C 0.707 178.024 177.300 0.028 0.000 1.148 222 P CA 1.195 64.316 63.100 0.036 0.000 0.779 222 P CB 0.308 32.023 31.700 0.024 0.000 0.780 223 E N -1.797 118.425 120.200 0.037 0.000 2.447 223 E HA 0.027 4.397 4.350 0.034 0.000 0.204 223 E C 0.029 176.624 176.600 -0.009 0.000 0.977 223 E CA 0.095 56.501 56.400 0.010 0.000 0.950 223 E CB -0.772 28.935 29.700 0.013 0.000 0.975 223 E HN 0.107 8.467 8.360 -0.000 0.000 0.496 224 D N 4.396 124.819 120.400 0.039 0.000 2.567 224 D HA -0.012 4.649 4.640 0.034 0.000 0.228 224 D C -2.088 174.084 176.300 -0.212 0.000 1.185 224 D CA -0.310 53.702 54.000 0.020 0.000 0.874 224 D CB 0.070 41.053 40.800 0.304 0.000 1.219 224 D HN 0.106 8.476 8.370 -0.000 0.000 0.494 225 P HA 0.022 4.442 4.420 -0.000 0.000 0.268 225 P C -0.571 176.561 177.300 -0.279 0.000 1.208 225 P CA -0.141 62.600 63.100 -0.598 0.000 0.777 225 P CB 0.569 31.565 31.700 -1.174 0.000 0.875 226 S N 2.010 117.677 115.700 -0.054 0.000 2.774 226 S HA 0.278 4.768 4.470 0.034 0.000 0.297 226 S C 1.041 175.680 174.600 0.065 0.000 1.143 226 S CA -0.709 57.510 58.200 0.032 0.000 1.090 226 S CB -0.329 62.873 63.200 0.002 0.000 1.019 226 S HN 0.267 8.577 8.310 -0.000 0.000 0.482 227 L N 4.231 125.463 121.223 0.016 0.000 2.042 227 L HA -0.115 4.245 4.340 0.034 0.000 0.210 227 L C 2.123 178.951 176.870 -0.070 0.000 1.076 227 L CA 1.530 56.281 54.840 -0.149 0.000 0.749 227 L CB -0.362 41.537 42.059 -0.267 0.000 0.893 227 L HN 0.661 8.891 8.230 -0.000 0.000 0.432 228 L N -0.772 120.431 121.223 -0.034 0.000 2.275 228 L HA -0.136 4.224 4.340 0.034 0.000 0.215 228 L C 1.943 178.802 176.870 -0.018 0.000 1.119 228 L CA 0.671 55.499 54.840 -0.021 0.000 0.790 228 L CB -0.218 41.835 42.059 -0.009 0.000 0.919 228 L HN 0.259 8.489 8.230 -0.000 0.000 0.443 229 E N -0.984 119.207 120.200 -0.016 0.000 2.481 229 E HA 0.034 4.404 4.350 0.034 0.000 0.198 229 E C -0.023 176.562 176.600 -0.024 0.000 1.027 229 E CA 0.008 56.397 56.400 -0.018 0.000 0.900 229 E CB -0.008 29.681 29.700 -0.018 0.000 0.993 229 E HN 0.219 8.579 8.360 -0.000 0.000 0.482 230 D N 1.842 122.228 120.400 -0.023 0.000 2.401 230 D HA 0.010 4.670 4.640 0.034 0.000 0.254 230 D C -1.672 174.597 176.300 -0.051 0.000 1.192 230 D CA -1.883 52.095 54.000 -0.037 0.000 0.885 230 D CB 1.649 42.435 40.800 -0.024 0.000 1.147 230 D HN -0.148 8.222 8.370 -0.000 0.000 0.478 231 P HA -0.111 4.309 4.420 -0.000 0.000 0.216 231 P C 1.135 178.412 177.300 -0.040 0.000 1.150 231 P CA 1.235 64.307 63.100 -0.047 0.000 0.837 231 P CB 0.261 31.930 31.700 -0.052 0.000 0.786 232 R N -0.883 119.573 120.500 -0.074 0.000 2.092 232 R HA 0.009 4.369 4.340 0.034 0.000 0.231 232 R C 2.300 178.632 176.300 0.052 0.000 1.119 232 R CA 1.074 57.157 56.100 -0.028 0.000 0.970 232 R CB -0.733 29.472 30.300 -0.160 0.000 0.864 232 R HN 0.260 8.530 8.270 -0.000 0.000 0.440 233 I N 0.827 121.413 120.570 0.026 0.000 2.406 233 I HA -0.190 4.000 4.170 0.034 0.000 0.249 233 I C 1.893 178.027 176.117 0.028 0.000 1.122 233 I CA 1.136 62.466 61.300 0.050 0.000 1.431 233 I CB -0.217 37.791 38.000 0.013 0.000 1.087 233 I HN 0.075 8.285 8.210 -0.000 0.000 0.424 234 K N 1.346 121.750 120.400 0.007 0.000 2.103 234 K HA -0.162 4.179 4.320 0.034 0.000 0.207 234 K C 2.267 178.874 176.600 0.011 0.000 1.048 234 K CA 1.614 57.903 56.287 0.004 0.000 0.930 234 K CB -0.276 32.219 32.500 -0.008 0.000 0.716 234 K HN 0.320 8.570 8.250 -0.000 0.000 0.444 235 A N 1.299 124.128 122.820 0.016 0.000 1.930 235 A HA -0.107 4.233 4.320 0.034 0.000 0.217 235 A C 2.103 179.706 177.584 0.032 0.000 1.175 235 A CA 1.114 53.161 52.037 0.017 0.000 0.627 235 A CB -0.486 18.525 19.000 0.018 0.000 0.815 235 A HN 0.163 8.313 8.150 -0.000 0.000 0.443 236 I N -0.180 120.428 120.570 0.063 0.000 2.226 236 I HA -0.285 3.906 4.170 0.034 0.000 0.245 236 I C 2.979 179.186 176.117 0.151 0.000 1.100 236 I CA 1.016 62.383 61.300 0.111 0.000 1.374 236 I CB -0.341 37.731 38.000 0.120 0.000 1.057 236 I HN 0.358 8.568 8.210 -0.000 0.000 0.413 237 A N 0.822 123.696 122.820 0.089 0.000 1.883 237 A HA -0.215 4.125 4.320 0.034 0.000 0.217 237 A C 2.544 180.141 177.584 0.022 0.000 1.186 237 A CA 2.044 54.112 52.037 0.052 0.000 0.624 237 A CB -0.917 18.091 19.000 0.014 0.000 0.822 237 A HN 0.440 8.590 8.150 -0.000 0.000 0.444 238 A N -0.294 122.529 122.820 0.005 0.000 1.933 238 A HA -0.167 4.173 4.320 0.034 0.000 0.218 238 A C 2.113 179.672 177.584 -0.042 0.000 1.175 238 A CA 2.003 54.028 52.037 -0.020 0.000 0.628 238 A CB -0.452 18.537 19.000 -0.019 0.000 0.814 238 A HN 0.597 8.746 8.150 -0.000 0.000 0.444 239 K N -1.176 119.190 120.400 -0.057 0.000 2.147 239 K HA -0.181 4.159 4.320 0.034 0.000 0.205 239 K C 1.315 177.766 176.600 -0.249 0.000 1.049 239 K CA 1.503 57.697 56.287 -0.155 0.000 0.936 239 K CB -0.223 32.154 32.500 -0.205 0.000 0.722 239 K HN 0.656 8.906 8.250 -0.000 0.000 0.446 240 H N 0.470 119.496 119.070 -0.074 0.000 2.551 240 H HA 0.123 4.699 4.556 0.034 0.000 0.271 240 H C -0.169 175.042 175.328 -0.195 0.000 0.984 240 H CA 0.196 56.166 56.048 -0.131 0.000 1.164 240 H CB 0.350 29.997 29.762 -0.191 0.000 1.437 240 H HN 0.289 8.569 8.280 -0.000 0.000 0.550 241 N N 1.752 120.415 118.700 -0.061 0.000 2.740 241 N HA -0.154 4.607 4.740 0.034 0.000 0.248 241 N C -0.472 174.955 175.510 -0.138 0.000 1.062 241 N CA 0.806 53.807 53.050 -0.081 0.000 0.704 241 N CB -0.553 37.895 38.487 -0.065 0.000 0.968 241 N HN 0.366 8.746 8.380 -0.000 0.000 0.547 242 K N -0.124 120.177 120.400 -0.165 0.000 2.395 242 K HA 0.507 4.848 4.320 0.034 0.000 0.245 242 K C 0.824 177.358 176.600 -0.109 0.000 1.017 242 K CA -0.461 55.689 56.287 -0.229 0.000 0.852 242 K CB 1.007 33.194 32.500 -0.521 0.000 1.311 242 K HN 0.189 8.439 8.250 -0.000 0.000 0.452 243 T N -2.837 111.674 114.554 -0.072 0.000 2.849 243 T HA 0.049 4.419 4.350 0.034 0.000 0.284 243 T C 1.363 176.058 174.700 -0.007 0.000 1.004 243 T CA -0.057 62.028 62.100 -0.025 0.000 1.021 243 T CB 1.067 69.933 68.868 -0.002 0.000 1.013 243 T HN 0.525 8.765 8.240 -0.000 0.000 0.527 244 T N 0.503 115.059 114.554 0.003 0.000 2.720 244 T HA -0.110 4.260 4.350 0.034 0.000 0.268 244 T C 2.211 176.927 174.700 0.026 0.000 1.037 244 T CA 1.810 63.916 62.100 0.011 0.000 1.144 244 T CB -1.110 67.759 68.868 0.001 0.000 0.864 244 T HN 0.801 9.041 8.240 -0.000 0.000 0.444 245 A N 0.754 123.592 122.820 0.030 0.000 1.908 245 A HA -0.151 4.189 4.320 0.034 0.000 0.218 245 A C 2.277 179.902 177.584 0.069 0.000 1.181 245 A CA 1.952 54.018 52.037 0.047 0.000 0.627 245 A CB -0.758 18.271 19.000 0.049 0.000 0.818 245 A HN 0.707 8.857 8.150 -0.000 0.000 0.445 246 Q N -0.618 119.227 119.800 0.076 0.000 2.124 246 Q HA -0.110 4.251 4.340 0.034 0.000 0.202 246 Q C 2.117 178.244 176.000 0.213 0.000 0.977 246 Q CA 1.583 57.466 55.803 0.134 0.000 0.850 246 Q CB -0.345 28.460 28.738 0.112 0.000 0.901 246 Q HN 0.500 8.770 8.270 -0.000 0.000 0.429 247 V N 1.006 121.017 119.914 0.160 0.000 2.343 247 V HA -0.248 3.892 4.120 0.034 0.000 0.247 247 V C 2.109 178.274 176.094 0.118 0.000 1.051 247 V CA 1.509 63.906 62.300 0.161 0.000 1.036 247 V CB -0.425 31.452 31.823 0.090 0.000 0.654 247 V HN 0.356 8.546 8.190 -0.000 0.000 0.451 248 L N -0.877 120.401 121.223 0.092 0.000 2.201 248 L HA -0.131 4.230 4.340 0.034 0.000 0.212 248 L C 2.219 179.171 176.870 0.136 0.000 1.105 248 L CA 1.418 56.327 54.840 0.115 0.000 0.775 248 L CB -0.372 41.731 42.059 0.074 0.000 0.913 248 L HN 0.294 8.524 8.230 -0.000 0.000 0.440 249 I N -0.942 119.677 120.570 0.081 0.000 2.400 249 I HA -0.177 4.014 4.170 0.034 0.000 0.248 249 I C 2.684 178.765 176.117 -0.061 0.000 1.109 249 I CA 0.484 61.795 61.300 0.018 0.000 1.425 249 I CB -0.101 37.901 38.000 0.002 0.000 1.094 249 I HN 0.123 8.333 8.210 -0.000 0.000 0.425 250 R N 1.083 121.536 120.500 -0.079 0.000 2.096 250 R HA -0.204 4.157 4.340 0.034 0.000 0.235 250 R C 2.155 178.392 176.300 -0.106 0.000 1.127 250 R CA 1.466 57.428 56.100 -0.230 0.000 0.968 250 R CB -0.816 29.240 30.300 -0.406 0.000 0.861 250 R HN 0.251 8.521 8.270 -0.000 0.000 0.440 251 F N 2.407 122.276 119.950 -0.134 0.000 2.043 251 F HA -0.117 4.431 4.527 0.034 0.000 0.297 251 F C -1.011 174.728 175.800 -0.100 0.000 1.121 251 F CA 1.427 59.367 58.000 -0.100 0.000 1.199 251 F CB -1.204 37.766 39.000 -0.050 0.000 0.968 251 F HN 0.097 8.397 8.300 -0.000 0.000 0.478 252 P HA -0.187 4.233 4.420 -0.000 0.000 0.218 252 P C 2.000 179.142 177.300 -0.263 0.000 1.149 252 P CA 1.971 64.843 63.100 -0.379 0.000 0.817 252 P CB -0.377 31.195 31.700 -0.213 0.000 0.785 253 M N -0.466 119.003 119.600 -0.218 0.000 2.149 253 M HA -0.179 4.321 4.480 0.034 0.000 0.261 253 M C 2.214 178.393 176.300 -0.201 0.000 1.064 253 M CA 1.861 57.030 55.300 -0.219 0.000 1.102 253 M CB -0.886 31.534 32.600 -0.301 0.000 1.369 253 M HN -0.022 8.268 8.290 -0.000 0.000 0.408 254 Q N -0.272 119.407 119.800 -0.202 0.000 2.482 254 Q HA -0.011 4.350 4.340 0.034 0.000 0.209 254 Q C 1.154 177.062 176.000 -0.154 0.000 0.961 254 Q CA 0.437 56.144 55.803 -0.160 0.000 0.945 254 Q CB 0.134 28.796 28.738 -0.127 0.000 1.012 254 Q HN 0.508 8.778 8.270 -0.000 0.000 0.515 255 R N 0.306 120.682 120.500 -0.207 0.000 2.388 255 R HA 0.076 4.436 4.340 0.034 0.000 0.247 255 R C 0.144 176.353 176.300 -0.152 0.000 0.931 255 R CA 0.005 55.986 56.100 -0.198 0.000 1.082 255 R CB 0.081 30.201 30.300 -0.301 0.000 1.135 255 R HN 0.142 8.412 8.270 -0.000 0.000 0.525 256 N N 0.293 118.912 118.700 -0.135 0.000 2.829 256 N HA -0.153 4.607 4.740 0.034 0.000 0.250 256 N C -0.933 174.515 175.510 -0.102 0.000 1.090 256 N CA 0.587 53.574 53.050 -0.105 0.000 0.781 256 N CB -1.108 37.327 38.487 -0.086 0.000 1.124 256 N HN 0.188 8.568 8.380 -0.000 0.000 0.559 257 L N -0.262 120.888 121.223 -0.123 0.000 2.399 257 L HA 0.553 4.913 4.340 0.034 0.000 0.265 257 L C 0.901 177.725 176.870 -0.077 0.000 1.089 257 L CA -1.172 53.606 54.840 -0.102 0.000 0.802 257 L CB 1.069 43.050 42.059 -0.130 0.000 1.180 257 L HN -0.191 8.039 8.230 -0.000 0.000 0.454 258 V N 1.866 121.758 119.914 -0.037 0.000 2.686 258 V HA 0.382 4.523 4.120 0.034 0.000 0.295 258 V C -0.005 176.099 176.094 0.016 0.000 1.057 258 V CA -0.405 61.901 62.300 0.011 0.000 1.012 258 V CB 2.014 33.874 31.823 0.062 0.000 1.006 258 V HN 0.480 8.670 8.190 -0.000 0.000 0.477 259 V N 5.878 125.805 119.914 0.022 0.000 2.841 259 V HA 0.619 4.759 4.120 0.034 0.000 0.310 259 V C -0.564 175.552 176.094 0.037 0.000 1.090 259 V CA -0.562 61.755 62.300 0.027 0.000 0.930 259 V CB 2.044 33.862 31.823 -0.008 0.000 1.014 259 V HN 0.799 8.989 8.190 -0.000 0.000 0.425 260 I N 4.242 124.855 120.570 0.072 0.000 2.956 260 I HA 0.550 4.740 4.170 0.034 0.000 0.311 260 I C -2.598 173.589 176.117 0.116 0.000 1.436 260 I CA -1.798 59.538 61.300 0.061 0.000 0.872 260 I CB 1.276 39.301 38.000 0.042 0.000 2.099 260 I HN 0.370 8.580 8.210 -0.000 0.000 0.624 261 P HA 0.028 4.448 4.420 -0.000 0.000 0.268 261 P C -0.630 176.733 177.300 0.106 0.000 1.205 261 P CA 0.060 63.237 63.100 0.129 0.000 0.771 261 P CB 1.192 32.974 31.700 0.137 0.000 0.858 262 K N 2.040 122.485 120.400 0.075 0.000 2.156 262 K HA 0.467 4.807 4.320 0.034 0.000 0.271 262 K C -0.886 175.714 176.600 -0.000 0.000 0.995 262 K CA -0.355 55.947 56.287 0.025 0.000 0.890 262 K CB 0.911 33.414 32.500 0.004 0.000 1.073 262 K HN 0.482 8.732 8.250 -0.000 0.000 0.454 263 S N 2.146 117.830 115.700 -0.026 0.000 2.537 263 S HA 0.342 4.832 4.470 0.034 0.000 0.270 263 S C -0.163 174.402 174.600 -0.058 0.000 1.142 263 S CA -0.529 57.651 58.200 -0.035 0.000 0.870 263 S CB 1.217 64.414 63.200 -0.005 0.000 1.112 263 S HN 0.417 8.727 8.310 -0.000 0.000 0.466 264 V N 0.783 120.663 119.914 -0.056 0.000 3.427 264 V HA 0.450 4.590 4.120 0.034 0.000 0.305 264 V C 0.317 176.387 176.094 -0.041 0.000 1.412 264 V CA 0.036 62.304 62.300 -0.054 0.000 1.086 264 V CB 0.022 31.811 31.823 -0.056 0.000 0.964 264 V HN 0.693 8.883 8.190 -0.000 0.000 0.439 265 T N 3.658 118.194 114.554 -0.030 0.000 2.728 265 T HA 0.377 4.747 4.350 0.034 0.000 0.296 265 T C -1.733 172.962 174.700 -0.008 0.000 0.940 265 T CA -0.688 61.401 62.100 -0.017 0.000 1.013 265 T CB 1.619 70.481 68.868 -0.011 0.000 0.912 265 T HN 0.201 8.441 8.240 -0.000 0.000 0.484 266 P HA -0.113 4.307 4.420 -0.000 0.000 0.216 266 P C 1.258 178.573 177.300 0.024 0.000 1.153 266 P CA 0.996 64.097 63.100 0.001 0.000 0.858 266 P CB 0.296 31.995 31.700 -0.001 0.000 0.789 267 E N -0.686 119.529 120.200 0.024 0.000 2.110 267 E HA -0.141 4.229 4.350 0.034 0.000 0.193 267 E C 2.084 178.718 176.600 0.056 0.000 0.988 267 E CA 1.153 57.576 56.400 0.037 0.000 0.804 267 E CB -0.591 29.125 29.700 0.026 0.000 0.745 267 E HN 0.237 8.597 8.360 -0.000 0.000 0.458 268 R N -0.042 120.487 120.500 0.048 0.000 2.090 268 R HA 0.066 4.426 4.340 0.034 0.000 0.228 268 R C 2.360 178.725 176.300 0.109 0.000 1.110 268 R CA 0.846 56.986 56.100 0.067 0.000 0.973 268 R CB -0.304 30.022 30.300 0.043 0.000 0.869 268 R HN 0.186 8.456 8.270 -0.000 0.000 0.440 269 I N 0.741 121.365 120.570 0.091 0.000 2.163 269 I HA -0.319 3.871 4.170 0.034 0.000 0.243 269 I C 2.561 178.851 176.117 0.288 0.000 1.085 269 I CA 1.593 62.973 61.300 0.133 0.000 1.347 269 I CB -0.369 37.624 38.000 -0.012 0.000 1.044 269 I HN 0.206 8.416 8.210 -0.000 0.000 0.408 270 A N -0.212 122.728 122.820 0.200 0.000 1.897 270 A HA -0.211 4.129 4.320 0.034 0.000 0.215 270 A C 2.315 180.043 177.584 0.241 0.000 1.181 270 A CA 1.536 53.706 52.037 0.220 0.000 0.620 270 A CB -0.532 18.547 19.000 0.130 0.000 0.821 270 A HN 0.463 8.613 8.150 -0.000 0.000 0.443 271 E N 0.018 120.325 120.200 0.179 0.000 2.106 271 E HA -0.197 4.174 4.350 0.034 0.000 0.192 271 E C 1.516 178.224 176.600 0.180 0.000 0.984 271 E CA 1.069 57.560 56.400 0.153 0.000 0.806 271 E CB -0.109 29.651 29.700 0.100 0.000 0.750 271 E HN 0.520 8.880 8.360 -0.000 0.000 0.458 272 N N 0.173 119.003 118.700 0.216 0.000 2.205 272 N HA -0.178 4.583 4.740 0.034 0.000 0.186 272 N C 1.328 176.961 175.510 0.205 0.000 1.015 272 N CA 0.777 53.954 53.050 0.212 0.000 0.862 272 N CB -0.370 38.271 38.487 0.258 0.000 0.986 272 N HN 0.199 8.579 8.380 -0.000 0.000 0.429 273 F N 1.302 121.303 119.950 0.085 0.000 2.661 273 F HA 0.083 4.630 4.527 0.033 0.000 0.298 273 F C 0.593 176.453 175.800 0.101 0.000 1.137 273 F CA 0.532 58.518 58.000 -0.024 0.000 1.454 273 F CB 0.187 39.101 39.000 -0.142 0.000 1.103 273 F HN -0.179 8.121 8.300 -0.000 0.000 0.577 274 K N 0.937 121.430 120.400 0.155 0.000 2.502 274 K HA 0.183 4.524 4.320 0.034 0.000 0.244 274 K C 0.408 177.089 176.600 0.134 0.000 1.249 274 K CA 0.081 56.452 56.287 0.142 0.000 1.193 274 K CB 0.177 32.768 32.500 0.152 0.000 1.674 274 K HN 0.180 8.430 8.250 -0.000 0.000 0.302 275 V N -2.867 117.048 119.914 0.002 0.000 3.330 275 V HA 0.223 4.363 4.120 0.034 0.000 0.309 275 V C 0.528 176.375 176.094 -0.412 0.000 1.481 275 V CA -0.165 62.062 62.300 -0.121 0.000 1.068 275 V CB -0.560 31.071 31.823 -0.319 0.000 0.935 275 V HN 0.296 8.486 8.190 -0.000 0.000 0.453 276 F N 2.338 122.180 119.950 -0.181 0.000 2.695 276 F HA 0.356 4.903 4.527 0.033 0.000 0.303 276 F C 1.624 177.349 175.800 -0.125 0.000 1.091 276 F CA 0.458 58.331 58.000 -0.211 0.000 1.300 276 F CB 0.644 39.507 39.000 -0.228 0.000 1.071 276 F HN 0.374 8.674 8.300 -0.000 0.000 0.578 277 D N -0.208 120.257 120.400 0.109 0.000 2.501 277 D HA 0.061 4.721 4.640 0.034 0.000 0.224 277 D C -0.046 176.375 176.300 0.202 0.000 1.202 277 D CA 0.032 54.114 54.000 0.137 0.000 0.829 277 D CB -0.373 40.517 40.800 0.150 0.000 1.023 277 D HN 0.221 8.591 8.370 -0.000 0.000 0.499 278 F N -0.676 119.256 119.950 -0.030 0.000 2.664 278 F HA 0.765 5.313 4.527 0.034 0.000 0.317 278 F C -1.440 174.311 175.800 -0.083 0.000 1.108 278 F CA -1.049 56.927 58.000 -0.039 0.000 0.957 278 F CB 1.383 40.356 39.000 -0.045 0.000 1.365 278 F HN -0.288 8.012 8.300 -0.000 0.000 0.475 279 E N 2.126 122.324 120.200 -0.002 0.000 2.290 279 E HA 0.403 4.774 4.350 0.034 0.000 0.274 279 E C -1.507 175.051 176.600 -0.070 0.000 0.889 279 E CA -0.783 55.529 56.400 -0.146 0.000 0.760 279 E CB 3.029 32.706 29.700 -0.038 0.000 1.206 279 E HN 0.619 8.979 8.360 -0.000 0.000 0.419 280 L N 2.289 123.415 121.223 -0.161 0.000 2.380 280 L HA 0.147 4.508 4.340 0.034 0.000 0.273 280 L C 0.991 177.891 176.870 0.051 0.000 1.138 280 L CA -0.178 54.630 54.840 -0.052 0.000 0.832 280 L CB 0.603 42.635 42.059 -0.045 0.000 1.124 280 L HN 0.573 8.803 8.230 -0.000 0.000 0.454 281 S N 0.607 116.387 115.700 0.133 0.000 2.600 281 S HA 0.034 4.524 4.470 0.034 0.000 0.265 281 S C 1.311 175.942 174.600 0.052 0.000 1.325 281 S CA -0.196 58.057 58.200 0.088 0.000 1.002 281 S CB 1.326 64.585 63.200 0.098 0.000 0.921 281 S HN 0.766 9.076 8.310 -0.000 0.000 0.554 282 S N 0.399 116.119 115.700 0.033 0.000 2.383 282 S HA -0.296 4.195 4.470 0.034 0.000 0.229 282 S C 1.900 176.512 174.600 0.020 0.000 1.030 282 S CA 1.477 59.690 58.200 0.022 0.000 1.002 282 S CB -0.972 62.235 63.200 0.013 0.000 0.829 282 S HN 0.856 9.166 8.310 -0.000 0.000 0.467 283 Q N 1.038 120.851 119.800 0.021 0.000 2.050 283 Q HA -0.191 4.169 4.340 0.034 0.000 0.202 283 Q C 1.499 177.500 176.000 0.002 0.000 0.980 283 Q CA 1.950 57.760 55.803 0.011 0.000 0.840 283 Q CB -0.316 28.431 28.738 0.016 0.000 0.898 283 Q HN 0.585 8.855 8.270 -0.000 0.000 0.424 284 D N 0.014 120.430 120.400 0.028 0.000 2.123 284 D HA -0.186 4.474 4.640 0.034 0.000 0.196 284 D C 1.965 178.245 176.300 -0.033 0.000 0.992 284 D CA 1.166 55.177 54.000 0.018 0.000 0.833 284 D CB -0.123 40.733 40.800 0.094 0.000 0.954 284 D HN 0.339 8.709 8.370 -0.000 0.000 0.455 285 M N 0.527 120.139 119.600 0.020 0.000 2.086 285 M HA -0.106 4.394 4.480 0.034 0.000 0.261 285 M C 2.272 178.594 176.300 0.037 0.000 1.067 285 M CA 1.227 56.577 55.300 0.083 0.000 1.116 285 M CB -1.354 31.314 32.600 0.112 0.000 1.348 285 M HN -0.038 8.252 8.290 -0.000 0.000 0.407 286 T N 0.497 115.048 114.554 -0.005 0.000 2.788 286 T HA -0.107 4.263 4.350 0.034 0.000 0.268 286 T C 1.822 176.447 174.700 -0.124 0.000 1.044 286 T CA 1.902 63.983 62.100 -0.033 0.000 1.139 286 T CB -0.328 68.528 68.868 -0.019 0.000 0.867 286 T HN 0.417 8.657 8.240 -0.000 0.000 0.454 287 T N 2.508 116.960 114.554 -0.170 0.000 2.708 287 T HA 0.006 4.376 4.350 0.034 0.000 0.266 287 T C 1.988 176.248 174.700 -0.734 0.000 1.037 287 T CA 0.947 62.847 62.100 -0.334 0.000 1.146 287 T CB -0.510 68.234 68.868 -0.208 0.000 0.865 287 T HN 0.244 8.484 8.240 -0.000 0.000 0.435 288 L N 0.397 121.253 121.223 -0.612 0.000 2.042 288 L HA -0.069 4.291 4.340 0.034 0.000 0.210 288 L C 2.477 179.022 176.870 -0.542 0.000 1.076 288 L CA 1.134 55.488 54.840 -0.810 0.000 0.749 288 L CB -0.617 40.809 42.059 -1.054 0.000 0.893 288 L HN 0.246 8.476 8.230 -0.000 0.000 0.432 289 L N -0.416 120.687 121.223 -0.200 0.000 2.191 289 L HA -0.199 4.161 4.340 0.034 0.000 0.212 289 L C 2.752 179.605 176.870 -0.029 0.000 1.103 289 L CA 1.404 56.267 54.840 0.038 0.000 0.769 289 L CB -0.570 41.547 42.059 0.098 0.000 0.908 289 L HN 0.416 8.646 8.230 -0.000 0.000 0.438 290 S N -1.324 114.275 115.700 -0.169 0.000 2.507 290 S HA -0.152 4.338 4.470 0.034 0.000 0.235 290 S C 1.599 176.264 174.600 0.108 0.000 0.988 290 S CA 0.487 58.650 58.200 -0.062 0.000 0.944 290 S CB -0.440 62.708 63.200 -0.087 0.000 0.762 290 S HN 0.385 8.695 8.310 -0.000 0.000 0.526 291 Y N 2.020 122.375 120.300 0.091 0.000 2.529 291 Y HA 0.374 4.944 4.550 0.034 0.000 0.290 291 Y C 0.968 177.008 175.900 0.234 0.000 1.177 291 Y CA -1.597 56.598 58.100 0.159 0.000 1.305 291 Y CB -1.569 37.010 38.460 0.197 0.000 1.047 291 Y HN 0.328 8.608 8.280 -0.000 0.000 0.522 292 N N 1.980 120.867 118.700 0.311 0.000 2.412 292 N HA -0.063 4.697 4.740 0.034 0.000 0.258 292 N C 0.567 176.213 175.510 0.227 0.000 1.236 292 N CA 0.396 53.613 53.050 0.278 0.000 0.882 292 N CB 0.433 39.028 38.487 0.179 0.000 1.066 292 N HN 0.312 8.692 8.380 -0.000 0.000 0.465 293 R N 1.597 122.246 120.500 0.249 0.000 2.549 293 R HA 0.276 4.636 4.340 0.034 0.000 0.361 293 R C -0.351 176.079 176.300 0.217 0.000 0.969 293 R CA -0.590 55.615 56.100 0.174 0.000 1.158 293 R CB -0.178 30.168 30.300 0.076 0.000 1.456 293 R HN 0.457 8.727 8.270 -0.000 0.000 0.540 294 N N 0.774 119.608 118.700 0.224 0.000 2.721 294 N HA -0.208 4.552 4.740 0.034 0.000 0.249 294 N C -1.268 174.384 175.510 0.236 0.000 1.072 294 N CA 1.108 54.266 53.050 0.181 0.000 0.710 294 N CB -1.120 37.444 38.487 0.129 0.000 0.993 294 N HN 0.458 8.838 8.380 -0.000 0.000 0.547 295 W N 2.000 123.387 121.300 0.145 0.000 2.367 295 W HA 0.320 5.001 4.660 0.036 0.000 0.329 295 W C 0.547 177.202 176.519 0.226 0.000 1.066 295 W CA -0.829 56.618 57.345 0.169 0.000 1.435 295 W CB 0.310 29.872 29.460 0.171 0.000 1.296 295 W HN 0.001 8.181 8.180 -0.000 0.000 0.401 296 R N 5.231 125.575 120.500 -0.260 0.000 2.207 296 R HA 0.231 4.592 4.340 0.034 0.000 0.334 296 R C 0.903 176.938 176.300 -0.441 0.000 1.013 296 R CA -0.009 55.914 56.100 -0.295 0.000 0.858 296 R CB 1.080 31.199 30.300 -0.302 0.000 1.094 296 R HN 0.575 8.845 8.270 -0.000 0.000 0.457 297 V N 1.579 121.306 119.914 -0.312 0.000 2.878 297 V HA 0.112 4.252 4.120 0.034 0.000 0.250 297 V C 0.610 176.906 176.094 0.338 0.000 1.075 297 V CA 0.242 62.464 62.300 -0.129 0.000 1.096 297 V CB 0.247 32.019 31.823 -0.085 0.000 0.724 297 V HN 0.676 8.866 8.190 -0.000 0.000 0.467 298 C N 2.447 121.940 119.300 0.321 0.000 2.242 298 C HA 0.880 5.360 4.460 0.034 0.000 0.317 298 C C 0.342 175.572 174.990 0.401 0.000 1.087 298 C CA 0.183 59.522 59.018 0.536 0.000 1.535 298 C CB -1.337 26.848 27.740 0.741 0.000 1.893 298 C HN 0.898 9.128 8.230 -0.000 0.000 0.426 299 A N 4.666 127.599 122.820 0.188 0.000 2.609 299 A HA 0.885 5.225 4.320 0.034 0.000 0.291 299 A C -1.915 175.636 177.584 -0.055 0.000 1.096 299 A CA -0.510 51.660 52.037 0.222 0.000 0.684 299 A CB 1.396 20.482 19.000 0.143 0.000 1.282 299 A HN 0.983 9.133 8.150 -0.000 0.000 0.412 300 L N 1.326 122.567 121.223 0.030 0.000 2.596 300 L HA 0.434 4.794 4.340 0.034 0.000 0.265 300 L C 0.175 176.944 176.870 -0.168 0.000 0.962 300 L CA -0.485 54.250 54.840 -0.175 0.000 0.891 300 L CB 1.621 43.557 42.059 -0.204 0.000 1.248 300 L HN 0.800 9.030 8.230 -0.000 0.000 0.410 301 L N 3.103 124.215 121.223 -0.185 0.000 2.042 301 L HA -0.116 4.244 4.340 0.034 0.000 0.210 301 L C 2.253 179.006 176.870 -0.195 0.000 1.076 301 L CA 2.535 57.271 54.840 -0.172 0.000 0.749 301 L CB -0.357 41.631 42.059 -0.118 0.000 0.893 301 L HN 0.915 9.145 8.230 -0.000 0.000 0.432 302 S N -2.834 112.757 115.700 -0.181 0.000 2.469 302 S HA -0.172 4.318 4.470 0.034 0.000 0.238 302 S C 1.764 176.264 174.600 -0.166 0.000 0.998 302 S CA 1.053 59.157 58.200 -0.159 0.000 0.957 302 S CB -1.271 61.836 63.200 -0.155 0.000 0.764 302 S HN 0.537 8.847 8.310 -0.000 0.000 0.514 303 C N 2.124 121.303 119.300 -0.202 0.000 2.926 303 C HA 0.279 4.759 4.460 0.034 0.000 0.272 303 C C 2.662 177.398 174.990 -0.422 0.000 1.249 303 C CA 0.216 59.135 59.018 -0.166 0.000 1.691 303 C CB -1.094 26.661 27.740 0.024 0.000 1.983 303 C HN 0.827 9.057 8.230 -0.000 0.000 0.615 304 T N -0.625 113.518 114.554 -0.684 0.000 3.163 304 T HA -0.079 4.291 4.350 0.034 0.000 0.260 304 T C 1.373 175.930 174.700 -0.239 0.000 1.156 304 T CA 1.408 62.956 62.100 -0.921 0.000 1.072 304 T CB -0.433 68.112 68.868 -0.540 0.000 0.937 304 T HN 0.578 8.818 8.240 -0.000 0.000 0.528 305 S N -0.413 115.209 115.700 -0.130 0.000 2.575 305 S HA 0.110 4.600 4.470 0.034 0.000 0.215 305 S C 0.546 175.182 174.600 0.060 0.000 0.966 305 S CA -0.700 57.485 58.200 -0.024 0.000 0.911 305 S CB -0.505 62.661 63.200 -0.057 0.000 0.780 305 S HN 0.673 8.983 8.310 -0.000 0.000 0.514 306 H N 2.952 122.040 119.070 0.030 0.000 2.548 306 H HA 0.260 4.834 4.556 0.029 0.000 0.331 306 H C 1.236 176.659 175.328 0.157 0.000 1.093 306 H CA 0.256 56.355 56.048 0.085 0.000 1.367 306 H CB 1.422 31.253 29.762 0.115 0.000 1.455 306 H HN 0.371 8.651 8.280 -0.000 0.000 0.519 307 K N 2.819 123.290 120.400 0.118 0.000 2.152 307 K HA -0.126 4.214 4.320 0.034 0.000 0.206 307 K C 0.007 176.792 176.600 0.308 0.000 1.048 307 K CA 1.901 58.299 56.287 0.185 0.000 0.933 307 K CB 0.294 32.816 32.500 0.038 0.000 0.721 307 K HN 0.388 8.638 8.250 -0.000 0.000 0.447 308 D N -0.298 120.392 120.400 0.484 0.000 2.402 308 D HA 0.002 4.663 4.640 0.034 0.000 0.216 308 D C -0.654 175.659 176.300 0.021 0.000 1.128 308 D CA -0.316 53.786 54.000 0.169 0.000 0.833 308 D CB -0.113 40.727 40.800 0.067 0.000 0.971 308 D HN 0.168 8.538 8.370 -0.000 0.000 0.503 309 Y N 3.295 123.607 120.300 0.019 0.000 2.717 309 Y HA 0.016 4.584 4.550 0.030 0.000 0.330 309 Y C -1.341 174.334 175.900 -0.375 0.000 1.217 309 Y CA -1.011 56.959 58.100 -0.216 0.000 1.506 309 Y CB 1.029 39.373 38.460 -0.193 0.000 1.268 309 Y HN -0.072 8.208 8.280 -0.000 0.000 0.561 310 P HA 0.007 4.427 4.420 -0.000 0.000 0.239 310 P C -0.812 176.071 177.300 -0.695 0.000 1.188 310 P CA 0.658 63.258 63.100 -0.833 0.000 0.794 310 P CB 0.386 31.555 31.700 -0.886 0.000 0.937 311 F N -0.251 119.228 119.950 -0.786 0.000 2.443 311 F HA 0.390 4.941 4.527 0.040 0.000 0.335 311 F C 1.722 177.011 175.800 -0.851 0.000 1.104 311 F CA -0.823 56.846 58.000 -0.552 0.000 1.013 311 F CB 0.576 39.373 39.000 -0.338 0.000 1.136 311 F HN -0.154 8.146 8.300 -0.000 0.000 0.470 312 H N -0.179 119.080 119.070 0.314 0.000 2.302 312 H HA 0.079 4.652 4.556 0.029 0.000 0.252 312 H C 0.100 175.542 175.328 0.190 0.000 1.017 312 H CA 0.390 56.576 56.048 0.231 0.000 1.404 312 H CB -0.474 29.377 29.762 0.149 0.000 1.394 312 H HN 0.327 8.607 8.280 -0.000 0.000 0.560 313 E N 1.322 122.066 120.200 0.906 0.000 2.864 313 E HA -0.145 4.225 4.350 0.034 0.000 0.285 313 E C 1.476 178.271 176.600 0.325 0.000 0.965 313 E CA 0.787 57.470 56.400 0.472 0.000 0.985 313 E CB 0.876 30.620 29.700 0.074 0.000 1.000 313 E HN 0.516 8.876 8.360 -0.000 0.000 0.475 314 E N 1.311 121.664 120.200 0.256 0.000 2.033 314 E HA -0.143 4.227 4.350 0.034 0.000 0.199 314 E C 0.687 177.534 176.600 0.412 0.000 1.011 314 E CA 2.088 58.673 56.400 0.308 0.000 0.815 314 E CB -0.200 29.707 29.700 0.345 0.000 0.755 314 E HN 0.504 8.864 8.360 -0.000 0.000 0.451 315 F N 0.000 120.008 119.950 0.097 0.000 2.286 315 F HA 0.000 4.549 4.527 0.037 0.000 0.279 315 F CA 0.000 58.065 58.000 0.108 0.000 1.383 315 F CB 0.000 39.063 39.000 0.105 0.000 1.145 315 F HN 0.000 8.300 8.300 -0.000 0.000 0.574