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 1zze_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKIDNAVLPE GSLVLVTGAN GFVASHVVEQ LLEHGYKVRG TARSASKLAN DATA SEQUENCE LQKRWDAKYP GRFETAVVED MLKQGAYDEV IKGAAGVAHI ASVVSFSNKY DATA SEQUENCE DEVVTPAIGG TLNALRAAAA TPSVKRFVLT SSTVSALIPK PNVEGIYLDE DATA SEQUENCE KSWNLESIDK AKTLPESDPQ KSLWVYAASK TEAELAAWKF MDENKPHFTL DATA SEQUENCE NAVLPNYTIG TIFDPETQSG STSGWMMSLF NGEVSPALAL MPPQYYVSAV DATA SEQUENCE DIGLLHLGCL VLPQIERRRV YGTAGTFDWN TVLATFRKLY PSKTFPADFP DATA SEQUENCE DQGQDLSKFD TAPSLEILKS LGRPGWRSIE ESIKDLVGSE TA 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 2 A C 0.000 177.594 177.584 0.017 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 3 K N -0.055 120.364 120.400 0.033 0.000 2.074 3 K HA -0.011 4.322 4.320 0.023 0.000 0.209 3 K C 0.027 176.679 176.600 0.086 0.000 1.048 3 K CA 1.722 58.051 56.287 0.069 0.000 0.926 3 K CB -0.416 32.157 32.500 0.122 0.000 0.713 3 K HN 0.512 8.762 8.250 -0.000 0.000 0.444 4 I N 2.266 122.894 120.570 0.096 0.000 2.291 4 I HA 0.049 4.232 4.170 0.023 0.000 0.290 4 I C -0.362 175.787 176.117 0.053 0.000 1.050 4 I CA -0.833 60.512 61.300 0.075 0.000 1.245 4 I CB 0.859 38.910 38.000 0.086 0.000 1.405 4 I HN 0.030 8.240 8.210 -0.000 0.000 0.478 5 D N 6.390 126.812 120.400 0.037 0.000 2.389 5 D HA 0.058 4.712 4.640 0.023 0.000 0.247 5 D C 0.654 176.971 176.300 0.027 0.000 1.128 5 D CA 0.421 54.438 54.000 0.028 0.000 0.884 5 D CB 0.525 41.337 40.800 0.021 0.000 1.194 5 D HN 0.498 8.868 8.370 -0.000 0.000 0.441 6 N N 1.223 119.939 118.700 0.027 0.000 2.741 6 N HA -0.199 4.555 4.740 0.023 0.000 0.250 6 N C -0.775 174.755 175.510 0.032 0.000 1.115 6 N CA 0.840 53.905 53.050 0.026 0.000 0.724 6 N CB -1.649 36.850 38.487 0.019 0.000 1.090 6 N HN 0.553 8.933 8.380 -0.000 0.000 0.558 7 A N 0.029 122.877 122.820 0.046 0.000 2.546 7 A HA 0.259 4.593 4.320 0.023 0.000 0.243 7 A C 1.680 179.296 177.584 0.054 0.000 1.063 7 A CA 0.156 52.230 52.037 0.061 0.000 0.757 7 A CB 0.483 19.553 19.000 0.117 0.000 0.991 7 A HN 0.089 8.239 8.150 -0.000 0.000 0.503 8 V N 3.044 122.980 119.914 0.036 0.000 2.626 8 V HA -0.103 4.030 4.120 0.023 0.000 0.252 8 V C 0.880 176.997 176.094 0.038 0.000 1.067 8 V CA 1.283 63.602 62.300 0.032 0.000 1.081 8 V CB -0.734 31.102 31.823 0.022 0.000 0.686 8 V HN 0.618 8.808 8.190 -0.000 0.000 0.468 9 L N 0.999 122.249 121.223 0.046 0.000 2.296 9 L HA 0.418 4.771 4.340 0.023 0.000 0.286 9 L C -2.409 174.568 176.870 0.178 0.000 1.023 9 L CA -1.905 52.978 54.840 0.071 0.000 0.812 9 L CB 1.250 43.295 42.059 -0.023 0.000 1.223 9 L HN 0.032 8.262 8.230 -0.000 0.000 0.421 10 P HA -0.001 4.419 4.420 -0.000 0.000 0.268 10 P C -0.525 176.850 177.300 0.124 0.000 1.208 10 P CA -0.215 62.949 63.100 0.106 0.000 0.777 10 P CB 0.457 32.193 31.700 0.060 0.000 0.875 11 E N 0.806 121.005 120.200 -0.002 0.000 2.481 11 E HA 0.159 4.523 4.350 0.023 0.000 0.263 11 E C 1.295 177.808 176.600 -0.144 0.000 0.992 11 E CA 0.950 57.249 56.400 -0.169 0.000 0.938 11 E CB -0.295 29.323 29.700 -0.137 0.000 0.933 11 E HN 0.775 9.135 8.360 -0.000 0.000 0.453 12 G N 2.583 111.210 108.800 -0.287 0.000 2.189 12 G HA2 -0.347 3.627 3.960 0.023 0.000 0.267 12 G HA3 -0.347 3.627 3.960 0.023 0.000 0.267 12 G C 0.396 175.316 174.900 0.035 0.000 0.975 12 G CA 0.415 45.443 45.100 -0.122 0.000 0.644 12 G HN 0.482 8.772 8.290 -0.000 0.000 0.537 13 S N -0.396 115.407 115.700 0.171 0.000 2.566 13 S HA 0.348 4.831 4.470 0.023 0.000 0.280 13 S C 0.396 175.086 174.600 0.150 0.000 1.343 13 S CA 0.089 58.396 58.200 0.179 0.000 1.036 13 S CB 1.218 64.544 63.200 0.209 0.000 0.866 13 S HN 0.956 9.266 8.310 -0.000 0.000 0.526 14 L N 4.031 125.280 121.223 0.043 0.000 2.305 14 L HA 0.537 4.890 4.340 0.023 0.000 0.281 14 L C -0.897 175.938 176.870 -0.059 0.000 1.085 14 L CA 0.091 54.925 54.840 -0.010 0.000 0.813 14 L CB 0.776 42.815 42.059 -0.034 0.000 1.157 14 L HN 0.376 8.606 8.230 -0.000 0.000 0.436 15 V N 6.223 126.082 119.914 -0.091 0.000 2.487 15 V HA 0.368 4.502 4.120 0.023 0.000 0.298 15 V C -0.430 175.569 176.094 -0.159 0.000 1.028 15 V CA -0.736 61.472 62.300 -0.153 0.000 0.860 15 V CB 1.632 33.336 31.823 -0.199 0.000 0.991 15 V HN 0.701 8.891 8.190 -0.000 0.000 0.427 16 L N 6.837 127.949 121.223 -0.187 0.000 2.281 16 L HA 0.582 4.936 4.340 0.023 0.000 0.285 16 L C -0.410 176.338 176.870 -0.203 0.000 1.074 16 L CA 0.434 55.166 54.840 -0.181 0.000 0.817 16 L CB 1.296 43.238 42.059 -0.196 0.000 1.168 16 L HN 0.450 8.680 8.230 -0.000 0.000 0.434 17 V N 4.471 124.301 119.914 -0.139 0.000 2.326 17 V HA 0.355 4.489 4.120 0.023 0.000 0.281 17 V C 0.252 176.314 176.094 -0.054 0.000 1.015 17 V CA -0.415 61.813 62.300 -0.120 0.000 0.823 17 V CB 1.390 33.162 31.823 -0.085 0.000 1.009 17 V HN 0.898 9.088 8.190 -0.000 0.000 0.436 18 T N 1.041 115.554 114.554 -0.068 0.000 2.907 18 T HA 0.512 4.875 4.350 0.023 0.000 0.298 18 T C 1.057 175.761 174.700 0.007 0.000 1.017 18 T CA 0.431 62.547 62.100 0.026 0.000 1.118 18 T CB 1.289 70.219 68.868 0.104 0.000 0.948 18 T HN 1.840 10.080 8.240 -0.000 0.000 0.531 19 G N 1.672 110.511 108.800 0.064 0.000 2.295 19 G HA2 -0.071 3.902 3.960 0.023 0.000 0.287 19 G HA3 -0.071 3.902 3.960 0.023 0.000 0.287 19 G C 0.922 175.860 174.900 0.063 0.000 1.055 19 G CA 0.004 45.135 45.100 0.052 0.000 0.922 19 G HN 1.562 9.852 8.290 -0.000 0.000 0.503 20 A N 0.415 123.304 122.820 0.114 0.000 2.178 20 A HA -0.062 4.271 4.320 0.023 0.000 0.218 20 A C 2.199 179.909 177.584 0.211 0.000 1.157 20 A CA 1.845 53.983 52.037 0.167 0.000 0.689 20 A CB -0.269 18.905 19.000 0.289 0.000 0.787 20 A HN 1.076 9.226 8.150 -0.000 0.000 0.465 21 N N 0.471 119.272 118.700 0.169 0.000 2.467 21 N HA 0.042 4.796 4.740 0.023 0.000 0.184 21 N C 0.876 176.448 175.510 0.104 0.000 1.106 21 N CA 0.778 53.911 53.050 0.138 0.000 0.892 21 N CB -0.551 38.001 38.487 0.108 0.000 0.969 21 N HN 0.241 8.621 8.380 -0.000 0.000 0.454 22 G N 0.281 109.135 108.800 0.090 0.000 2.636 22 G HA2 0.186 4.160 3.960 0.023 0.000 0.246 22 G HA3 0.186 4.160 3.960 0.023 0.000 0.246 22 G C 0.279 175.243 174.900 0.108 0.000 1.216 22 G CA -0.571 44.577 45.100 0.080 0.000 0.854 22 G HN 0.110 8.400 8.290 -0.000 0.000 0.572 23 F N 1.364 121.297 119.950 -0.029 0.000 2.026 23 F HA -0.155 4.385 4.527 0.022 0.000 0.296 23 F C 2.577 178.402 175.800 0.042 0.000 1.133 23 F CA 2.018 60.001 58.000 -0.027 0.000 1.188 23 F CB -0.581 38.363 39.000 -0.094 0.000 0.968 23 F HN 0.129 8.429 8.300 -0.000 0.000 0.476 24 V N 0.987 120.730 119.914 -0.285 0.000 2.287 24 V HA -0.329 3.804 4.120 0.023 0.000 0.248 24 V C 2.825 178.771 176.094 -0.246 0.000 1.053 24 V CA 2.024 64.102 62.300 -0.370 0.000 1.027 24 V CB -1.757 29.972 31.823 -0.157 0.000 0.646 24 V HN 0.560 8.750 8.190 -0.000 0.000 0.447 25 A N 0.862 123.595 122.820 -0.144 0.000 1.917 25 A HA -0.270 4.064 4.320 0.023 0.000 0.219 25 A C 2.544 180.104 177.584 -0.040 0.000 1.182 25 A CA 2.671 54.638 52.037 -0.116 0.000 0.633 25 A CB -0.936 18.038 19.000 -0.044 0.000 0.819 25 A HN 0.734 8.884 8.150 -0.000 0.000 0.448 26 S N -1.114 114.618 115.700 0.054 0.000 2.419 26 S HA -0.227 4.257 4.470 0.023 0.000 0.233 26 S C 1.798 176.534 174.600 0.226 0.000 1.016 26 S CA 1.375 59.735 58.200 0.268 0.000 0.974 26 S CB -0.851 62.542 63.200 0.323 0.000 0.786 26 S HN 0.715 9.025 8.310 -0.000 0.000 0.492 27 H N 0.432 119.505 119.070 0.004 0.000 2.436 27 H HA 0.174 4.743 4.556 0.022 0.000 0.294 27 H C 2.277 177.593 175.328 -0.020 0.000 1.048 27 H CA 1.305 57.369 56.048 0.027 0.000 1.353 27 H CB -0.053 29.562 29.762 -0.245 0.000 1.414 27 H HN 0.325 8.605 8.280 -0.000 0.000 0.536 28 V N 0.577 120.459 119.914 -0.054 0.000 2.295 28 V HA -0.199 3.934 4.120 0.023 0.000 0.246 28 V C 2.713 178.729 176.094 -0.130 0.000 1.049 28 V CA 1.134 63.342 62.300 -0.154 0.000 1.024 28 V CB -0.535 31.077 31.823 -0.352 0.000 0.648 28 V HN 0.157 8.347 8.190 -0.000 0.000 0.447 29 V N 0.040 119.855 119.914 -0.165 0.000 2.255 29 V HA -0.316 3.818 4.120 0.023 0.000 0.247 29 V C 2.511 178.362 176.094 -0.405 0.000 1.051 29 V CA 2.447 64.536 62.300 -0.352 0.000 1.018 29 V CB -0.630 30.793 31.823 -0.667 0.000 0.641 29 V HN 0.647 8.837 8.190 -0.000 0.000 0.445 30 E N 0.006 120.095 120.200 -0.185 0.000 2.097 30 E HA -0.316 4.047 4.350 0.023 0.000 0.196 30 E C 2.187 178.737 176.600 -0.084 0.000 1.000 30 E CA 1.898 58.263 56.400 -0.059 0.000 0.804 30 E CB -0.265 29.607 29.700 0.286 0.000 0.740 30 E HN 0.550 8.910 8.360 -0.000 0.000 0.454 31 Q N -0.028 119.783 119.800 0.019 0.000 2.167 31 Q HA -0.038 4.315 4.340 0.023 0.000 0.202 31 Q C 2.045 178.092 176.000 0.078 0.000 0.970 31 Q CA 1.299 57.158 55.803 0.092 0.000 0.855 31 Q CB -0.178 28.629 28.738 0.115 0.000 0.911 31 Q HN 0.431 8.701 8.270 -0.000 0.000 0.438 32 L N -0.679 120.520 121.223 -0.040 0.000 2.005 32 L HA -0.175 4.179 4.340 0.023 0.000 0.207 32 L C 2.226 179.073 176.870 -0.038 0.000 1.072 32 L CA 1.053 55.895 54.840 0.005 0.000 0.744 32 L CB -0.480 41.523 42.059 -0.093 0.000 0.895 32 L HN 0.262 8.492 8.230 -0.000 0.000 0.433 33 L N -0.489 120.541 121.223 -0.323 0.000 2.042 33 L HA -0.239 4.115 4.340 0.023 0.000 0.210 33 L C 2.572 179.058 176.870 -0.639 0.000 1.076 33 L CA 1.228 55.708 54.840 -0.601 0.000 0.749 33 L CB -0.560 40.822 42.059 -1.128 0.000 0.893 33 L HN 0.278 8.508 8.230 -0.000 0.000 0.432 34 E N -0.305 119.582 120.200 -0.521 0.000 2.160 34 E HA -0.221 4.142 4.350 0.023 0.000 0.195 34 E C 1.802 178.292 176.600 -0.183 0.000 0.991 34 E CA 1.282 57.549 56.400 -0.222 0.000 0.810 34 E CB -0.026 29.651 29.700 -0.037 0.000 0.742 34 E HN 0.454 8.814 8.360 -0.000 0.000 0.466 35 H N -1.493 117.532 119.070 -0.075 0.000 2.538 35 H HA 0.221 4.790 4.556 0.023 0.000 0.286 35 H C 0.924 176.129 175.328 -0.206 0.000 1.035 35 H CA 0.579 56.599 56.048 -0.046 0.000 1.169 35 H CB 0.491 30.311 29.762 0.096 0.000 1.417 35 H HN 0.375 8.655 8.280 -0.000 0.000 0.567 36 G N 0.629 109.340 108.800 -0.148 0.000 2.179 36 G HA2 -0.298 3.676 3.960 0.023 0.000 0.260 36 G HA3 -0.298 3.676 3.960 0.023 0.000 0.260 36 G C -0.230 174.490 174.900 -0.300 0.000 0.977 36 G CA -0.079 44.881 45.100 -0.233 0.000 0.641 36 G HN 0.332 8.622 8.290 -0.000 0.000 0.533 37 Y N 0.986 121.248 120.300 -0.063 0.000 2.304 37 Y HA 0.548 5.112 4.550 0.024 0.000 0.327 37 Y C 1.206 177.044 175.900 -0.103 0.000 1.209 37 Y CA -0.238 57.817 58.100 -0.075 0.000 1.299 37 Y CB 0.771 39.184 38.460 -0.078 0.000 1.249 37 Y HN 0.001 8.281 8.280 -0.000 0.000 0.519 38 K N 1.646 122.093 120.400 0.079 0.000 2.143 38 K HA 0.604 4.938 4.320 0.023 0.000 0.272 38 K C -1.245 175.337 176.600 -0.031 0.000 1.001 38 K CA -0.634 55.652 56.287 -0.001 0.000 0.915 38 K CB 1.370 33.862 32.500 -0.013 0.000 1.047 38 K HN 0.326 8.576 8.250 -0.000 0.000 0.458 39 V N 2.641 122.510 119.914 -0.075 0.000 2.709 39 V HA 0.379 4.513 4.120 0.023 0.000 0.308 39 V C -0.605 175.320 176.094 -0.283 0.000 1.062 39 V CA -0.941 61.289 62.300 -0.117 0.000 0.901 39 V CB 1.824 33.619 31.823 -0.047 0.000 1.003 39 V HN 0.698 8.888 8.190 -0.000 0.000 0.425 40 R N 2.546 122.885 120.500 -0.269 0.000 2.320 40 R HA 0.652 5.006 4.340 0.023 0.000 0.319 40 R C -0.067 176.072 176.300 -0.267 0.000 0.969 40 R CA -0.269 55.618 56.100 -0.354 0.000 0.857 40 R CB 1.267 31.444 30.300 -0.205 0.000 1.160 40 R HN 0.941 9.211 8.270 -0.000 0.000 0.491 41 G N 2.112 110.691 108.800 -0.369 0.000 2.372 41 G HA2 0.322 4.295 3.960 0.023 0.000 0.323 41 G HA3 0.322 4.295 3.960 0.023 0.000 0.323 41 G C -0.280 174.662 174.900 0.071 0.000 1.152 41 G CA -0.445 44.677 45.100 0.037 0.000 0.906 41 G HN 0.595 8.885 8.290 -0.000 0.000 0.460 42 T N -0.998 113.615 114.554 0.099 0.000 2.928 42 T HA 0.815 5.179 4.350 0.023 0.000 0.284 42 T C 0.012 174.791 174.700 0.132 0.000 1.008 42 T CA -0.151 62.016 62.100 0.112 0.000 1.057 42 T CB 1.969 70.927 68.868 0.151 0.000 1.018 42 T HN 1.533 9.773 8.240 -0.000 0.000 0.493 43 A N 1.736 124.623 122.820 0.111 0.000 2.612 43 A HA 0.612 4.946 4.320 0.023 0.000 0.293 43 A C 0.768 178.395 177.584 0.071 0.000 1.075 43 A CA -1.039 51.058 52.037 0.100 0.000 0.680 43 A CB 1.153 20.223 19.000 0.117 0.000 1.279 43 A HN 0.812 8.962 8.150 -0.000 0.000 0.411 44 R N 0.218 120.754 120.500 0.060 0.000 2.285 44 R HA 0.019 4.372 4.340 0.023 0.000 0.213 44 R C 0.338 176.659 176.300 0.036 0.000 1.068 44 R CA 1.396 57.521 56.100 0.041 0.000 1.004 44 R CB -0.201 30.123 30.300 0.039 0.000 0.873 44 R HN 0.859 9.129 8.270 -0.000 0.000 0.467 45 S N -3.016 112.711 115.700 0.045 0.000 2.547 45 S HA 0.469 4.953 4.470 0.023 0.000 0.270 45 S C 0.194 174.827 174.600 0.054 0.000 1.150 45 S CA -0.472 57.752 58.200 0.040 0.000 0.850 45 S CB 1.809 65.029 63.200 0.034 0.000 1.118 45 S HN -0.022 8.288 8.310 -0.000 0.000 0.461 46 A N 2.267 125.117 122.820 0.049 0.000 1.930 46 A HA 0.036 4.370 4.320 0.023 0.000 0.217 46 A C 2.316 179.938 177.584 0.064 0.000 1.175 46 A CA 2.078 54.153 52.037 0.063 0.000 0.627 46 A CB -1.526 17.503 19.000 0.050 0.000 0.815 46 A HN 1.716 9.866 8.150 -0.000 0.000 0.443 47 S N 0.278 116.005 115.700 0.045 0.000 2.383 47 S HA -0.213 4.271 4.470 0.023 0.000 0.229 47 S C 1.753 176.375 174.600 0.038 0.000 1.030 47 S CA 1.576 59.797 58.200 0.036 0.000 1.002 47 S CB -0.432 62.783 63.200 0.025 0.000 0.829 47 S HN 0.607 8.917 8.310 -0.000 0.000 0.467 48 K N 0.625 121.052 120.400 0.045 0.000 2.280 48 K HA 0.156 4.490 4.320 0.023 0.000 0.202 48 K C 1.507 178.141 176.600 0.057 0.000 1.047 48 K CA 0.929 57.243 56.287 0.046 0.000 0.942 48 K CB -0.248 32.283 32.500 0.053 0.000 0.739 48 K HN 0.402 8.652 8.250 -0.000 0.000 0.457 49 L N -0.562 120.712 121.223 0.086 0.000 2.693 49 L HA 0.159 4.513 4.340 0.023 0.000 0.235 49 L C 1.902 178.821 176.870 0.081 0.000 1.127 49 L CA -0.221 54.691 54.840 0.120 0.000 0.914 49 L CB 0.133 42.339 42.059 0.246 0.000 1.193 49 L HN 0.089 8.319 8.230 -0.000 0.000 0.502 50 A N 1.080 123.929 122.820 0.050 0.000 1.859 50 A HA -0.291 4.043 4.320 0.023 0.000 0.217 50 A C 1.877 179.445 177.584 -0.027 0.000 1.198 50 A CA 2.485 54.538 52.037 0.027 0.000 0.629 50 A CB -0.741 18.268 19.000 0.016 0.000 0.830 50 A HN 0.543 8.693 8.150 -0.000 0.000 0.446 51 N N -0.291 118.371 118.700 -0.063 0.000 2.069 51 N HA -0.125 4.628 4.740 0.023 0.000 0.191 51 N C 1.687 177.052 175.510 -0.241 0.000 1.031 51 N CA 1.466 54.443 53.050 -0.121 0.000 0.852 51 N CB -0.321 38.102 38.487 -0.107 0.000 1.018 51 N HN 0.446 8.826 8.380 -0.000 0.000 0.423 52 L N 0.572 121.600 121.223 -0.326 0.000 2.093 52 L HA -0.177 4.177 4.340 0.023 0.000 0.208 52 L C 2.637 179.121 176.870 -0.644 0.000 1.085 52 L CA 0.893 55.283 54.840 -0.749 0.000 0.755 52 L CB -0.327 41.220 42.059 -0.854 0.000 0.904 52 L HN 0.203 8.433 8.230 -0.000 0.000 0.435 53 Q N 0.553 120.258 119.800 -0.159 0.000 2.084 53 Q HA -0.236 4.118 4.340 0.023 0.000 0.202 53 Q C 2.231 178.255 176.000 0.039 0.000 0.978 53 Q CA 1.627 57.506 55.803 0.127 0.000 0.844 53 Q CB -0.120 28.766 28.738 0.246 0.000 0.898 53 Q HN 0.065 8.335 8.270 -0.000 0.000 0.426 54 K N 0.625 120.989 120.400 -0.060 0.000 2.026 54 K HA -0.178 4.155 4.320 0.023 0.000 0.208 54 K C 2.118 178.642 176.600 -0.127 0.000 1.048 54 K CA 1.753 58.000 56.287 -0.067 0.000 0.929 54 K CB -0.375 32.076 32.500 -0.082 0.000 0.713 54 K HN 0.319 8.569 8.250 -0.000 0.000 0.439 55 R N -0.628 119.703 120.500 -0.281 0.000 2.070 55 R HA -0.150 4.203 4.340 0.023 0.000 0.233 55 R C 2.131 178.273 176.300 -0.264 0.000 1.137 55 R CA 1.697 57.568 56.100 -0.382 0.000 0.945 55 R CB -0.343 29.541 30.300 -0.692 0.000 0.845 55 R HN 0.270 8.540 8.270 -0.000 0.000 0.430 56 W N 1.354 122.564 121.300 -0.150 0.000 2.425 56 W HA -0.071 4.603 4.660 0.022 0.000 0.277 56 W C 1.532 178.066 176.519 0.025 0.000 1.231 56 W CA 0.358 57.675 57.345 -0.047 0.000 1.248 56 W CB -0.599 28.792 29.460 -0.114 0.000 1.117 56 W HN 0.227 8.407 8.180 -0.000 0.000 0.568 57 D N -0.202 120.320 120.400 0.202 0.000 2.178 57 D HA -0.075 4.579 4.640 0.023 0.000 0.202 57 D C 2.252 178.584 176.300 0.052 0.000 0.974 57 D CA 1.613 55.698 54.000 0.141 0.000 0.841 57 D CB -0.411 40.452 40.800 0.105 0.000 0.953 57 D HN 0.021 8.391 8.370 -0.000 0.000 0.478 58 A N 0.808 123.620 122.820 -0.012 0.000 1.874 58 A HA -0.101 4.232 4.320 0.023 0.000 0.214 58 A C 2.066 179.571 177.584 -0.133 0.000 1.189 58 A CA 1.005 53.001 52.037 -0.068 0.000 0.615 58 A CB -0.118 18.825 19.000 -0.094 0.000 0.830 58 A HN 0.067 8.217 8.150 -0.000 0.000 0.443 59 K N -1.809 118.454 120.400 -0.228 0.000 2.076 59 K HA -0.018 4.315 4.320 0.023 0.000 0.204 59 K C -0.560 175.634 176.600 -0.676 0.000 1.051 59 K CA 0.912 56.877 56.287 -0.538 0.000 0.949 59 K CB -0.035 31.971 32.500 -0.823 0.000 0.726 59 K HN 0.575 8.825 8.250 -0.000 0.000 0.443 60 Y N 1.109 121.448 120.300 0.065 0.000 2.662 60 Y HA 0.235 4.799 4.550 0.023 0.000 0.358 60 Y C -2.504 173.435 175.900 0.064 0.000 1.041 60 Y CA -3.355 54.773 58.100 0.048 0.000 1.184 60 Y CB 0.423 38.904 38.460 0.035 0.000 1.114 60 Y HN -0.020 8.260 8.280 -0.000 0.000 0.650 61 P HA 0.000 4.420 4.420 -0.000 0.000 0.260 61 P C 1.002 178.364 177.300 0.104 0.000 1.185 61 P CA 1.476 64.634 63.100 0.098 0.000 0.763 61 P CB 0.935 32.664 31.700 0.049 0.000 0.776 62 G N 4.095 112.960 108.800 0.109 0.000 2.203 62 G HA2 -0.280 3.694 3.960 0.023 0.000 0.263 62 G HA3 -0.280 3.694 3.960 0.023 0.000 0.263 62 G C 1.007 175.955 174.900 0.079 0.000 1.012 62 G CA -0.071 45.079 45.100 0.083 0.000 0.749 62 G HN 0.523 8.813 8.290 -0.000 0.000 0.512 63 R N -1.400 119.174 120.500 0.124 0.000 2.254 63 R HA 0.317 4.670 4.340 0.023 0.000 0.193 63 R C 0.624 176.977 176.300 0.088 0.000 0.929 63 R CA 0.091 56.241 56.100 0.084 0.000 1.038 63 R CB 0.082 30.432 30.300 0.083 0.000 1.009 63 R HN 0.537 8.807 8.270 -0.000 0.000 0.512 64 F N 1.397 121.341 119.950 -0.009 0.000 2.495 64 F HA 0.405 4.946 4.527 0.023 0.000 0.327 64 F C -0.634 175.179 175.800 0.023 0.000 1.103 64 F CA -1.187 56.788 58.000 -0.041 0.000 0.949 64 F CB 1.733 40.713 39.000 -0.034 0.000 1.142 64 F HN -0.172 8.128 8.300 -0.000 0.000 0.457 65 E N 3.746 123.408 120.200 -0.897 0.000 2.224 65 E HA 0.312 4.675 4.350 0.023 0.000 0.265 65 E C -1.366 174.739 176.600 -0.824 0.000 0.878 65 E CA -0.693 55.355 56.400 -0.586 0.000 0.759 65 E CB 1.718 31.231 29.700 -0.312 0.000 1.164 65 E HN 0.637 8.997 8.360 -0.000 0.000 0.414 66 T N 2.449 116.797 114.554 -0.342 0.000 2.851 66 T HA 0.509 4.872 4.350 0.023 0.000 0.298 66 T C -0.591 174.055 174.700 -0.091 0.000 0.977 66 T CA -0.069 61.963 62.100 -0.113 0.000 1.126 66 T CB 0.943 69.887 68.868 0.127 0.000 0.916 66 T HN 0.495 8.735 8.240 -0.000 0.000 0.529 67 A N 3.437 126.223 122.820 -0.057 0.000 2.371 67 A HA 0.706 5.039 4.320 0.023 0.000 0.311 67 A C -0.542 177.054 177.584 0.020 0.000 1.068 67 A CA -0.669 51.352 52.037 -0.027 0.000 0.744 67 A CB 1.236 20.211 19.000 -0.041 0.000 1.239 67 A HN 0.651 8.801 8.150 -0.000 0.000 0.435 68 V N 2.250 122.173 119.914 0.015 0.000 2.439 68 V HA 0.487 4.620 4.120 0.023 0.000 0.282 68 V C -0.395 175.700 176.094 0.002 0.000 1.039 68 V CA -0.255 62.057 62.300 0.019 0.000 0.913 68 V CB 1.341 33.172 31.823 0.014 0.000 0.983 68 V HN 0.630 8.820 8.190 -0.000 0.000 0.460 69 V N 4.631 124.546 119.914 0.002 0.000 2.516 69 V HA 0.262 4.396 4.120 0.023 0.000 0.271 69 V C 0.746 176.821 176.094 -0.030 0.000 0.992 69 V CA -0.362 61.910 62.300 -0.047 0.000 0.857 69 V CB 1.040 32.825 31.823 -0.064 0.000 1.047 69 V HN 0.951 9.141 8.190 -0.000 0.000 0.455 70 E N 1.422 121.603 120.200 -0.032 0.000 2.106 70 E HA -0.106 4.257 4.350 0.023 0.000 0.192 70 E C 0.404 176.993 176.600 -0.018 0.000 0.984 70 E CA 0.927 57.319 56.400 -0.014 0.000 0.806 70 E CB 0.361 30.055 29.700 -0.011 0.000 0.750 70 E HN 0.641 9.001 8.360 -0.000 0.000 0.458 71 D N 0.045 120.417 120.400 -0.048 0.000 2.420 71 D HA 0.072 4.726 4.640 0.023 0.000 0.255 71 D C 0.766 177.014 176.300 -0.086 0.000 1.185 71 D CA -0.294 53.681 54.000 -0.043 0.000 0.904 71 D CB 0.773 41.550 40.800 -0.038 0.000 1.102 71 D HN 0.015 8.385 8.370 -0.000 0.000 0.534 72 M N 1.687 121.261 119.600 -0.042 0.000 2.632 72 M HA 0.045 4.539 4.480 0.023 0.000 0.256 72 M C 0.167 176.459 176.300 -0.013 0.000 1.080 72 M CA 1.144 56.421 55.300 -0.039 0.000 1.084 72 M CB 0.069 32.755 32.600 0.143 0.000 1.439 72 M HN 0.238 8.528 8.290 -0.000 0.000 0.509 73 L N 0.244 121.459 121.223 -0.013 0.000 2.513 73 L HA 0.245 4.598 4.340 0.023 0.000 0.222 73 L C 1.112 177.966 176.870 -0.026 0.000 1.096 73 L CA -0.082 54.758 54.840 0.001 0.000 0.857 73 L CB -0.177 41.891 42.059 0.015 0.000 1.026 73 L HN 0.284 8.514 8.230 -0.000 0.000 0.469 74 K N 2.141 122.507 120.400 -0.056 0.000 2.484 74 K HA -0.068 4.266 4.320 0.023 0.000 0.280 74 K C 0.283 176.845 176.600 -0.063 0.000 1.013 74 K CA 0.047 56.300 56.287 -0.058 0.000 1.029 74 K CB 0.491 32.948 32.500 -0.072 0.000 0.902 74 K HN 0.002 8.252 8.250 -0.000 0.000 0.481 75 Q N 2.771 122.551 119.800 -0.034 0.000 2.274 75 Q HA 0.033 4.386 4.340 0.023 0.000 0.280 75 Q C 0.563 176.544 176.000 -0.031 0.000 1.047 75 Q CA 1.218 57.009 55.803 -0.021 0.000 0.907 75 Q CB 0.292 29.026 28.738 -0.006 0.000 1.171 75 Q HN 0.934 9.204 8.270 -0.000 0.000 0.381 76 G N 2.681 111.468 108.800 -0.021 0.000 2.148 76 G HA2 -0.367 3.606 3.960 0.023 0.000 0.254 76 G HA3 -0.367 3.606 3.960 0.023 0.000 0.254 76 G C 0.728 175.587 174.900 -0.068 0.000 0.981 76 G CA 0.466 45.554 45.100 -0.019 0.000 0.670 76 G HN 0.960 9.250 8.290 -0.000 0.000 0.528 77 A N -0.777 121.947 122.820 -0.160 0.000 1.978 77 A HA 0.128 4.462 4.320 0.023 0.000 0.220 77 A C 1.778 179.115 177.584 -0.411 0.000 1.170 77 A CA 2.123 53.957 52.037 -0.339 0.000 0.636 77 A CB -0.356 18.320 19.000 -0.541 0.000 0.810 77 A HN 0.906 9.056 8.150 -0.000 0.000 0.448 78 Y N -0.874 119.419 120.300 -0.012 0.000 2.467 78 Y HA 0.066 4.618 4.550 0.002 0.000 0.250 78 Y C 1.500 177.389 175.900 -0.019 0.000 1.155 78 Y CA -0.235 57.854 58.100 -0.018 0.000 1.249 78 Y CB 0.218 38.663 38.460 -0.026 0.000 1.146 78 Y HN 0.208 8.488 8.280 -0.000 0.000 0.524 79 D N 0.959 121.414 120.400 0.092 0.000 2.170 79 D HA -0.209 4.445 4.640 0.023 0.000 0.193 79 D C 1.765 178.092 176.300 0.044 0.000 1.004 79 D CA 1.769 55.804 54.000 0.059 0.000 0.860 79 D CB 0.099 40.916 40.800 0.029 0.000 0.931 79 D HN 0.373 8.743 8.370 -0.000 0.000 0.448 80 E N -0.026 120.193 120.200 0.032 0.000 2.060 80 E HA -0.047 4.317 4.350 0.023 0.000 0.189 80 E C 2.516 179.129 176.600 0.022 0.000 0.974 80 E CA 0.609 57.020 56.400 0.019 0.000 0.808 80 E CB -0.572 29.131 29.700 0.005 0.000 0.768 80 E HN 0.370 8.730 8.360 -0.000 0.000 0.453 81 V N -0.212 119.728 119.914 0.043 0.000 2.759 81 V HA -0.054 4.080 4.120 0.023 0.000 0.256 81 V C 2.114 178.220 176.094 0.019 0.000 1.080 81 V CA 1.193 63.514 62.300 0.035 0.000 1.101 81 V CB -0.573 31.295 31.823 0.075 0.000 0.698 81 V HN 0.112 8.302 8.190 -0.000 0.000 0.477 82 I N -0.370 120.223 120.570 0.037 0.000 3.419 82 I HA 0.115 4.299 4.170 0.023 0.000 0.286 82 I C 1.211 177.317 176.117 -0.018 0.000 1.268 82 I CA -0.032 61.261 61.300 -0.010 0.000 1.414 82 I CB -0.049 37.948 38.000 -0.006 0.000 1.074 82 I HN 0.233 8.443 8.210 -0.000 0.000 0.457 83 K N 1.366 121.764 120.400 -0.004 0.000 2.466 83 K HA 0.067 4.401 4.320 0.023 0.000 0.278 83 K C 1.056 177.646 176.600 -0.017 0.000 1.048 83 K CA 0.880 57.163 56.287 -0.006 0.000 1.088 83 K CB -0.035 32.464 32.500 -0.002 0.000 0.884 83 K HN 0.450 8.700 8.250 -0.000 0.000 0.478 84 G N 1.585 110.377 108.800 -0.014 0.000 2.184 84 G HA2 -0.338 3.636 3.960 0.023 0.000 0.264 84 G HA3 -0.338 3.636 3.960 0.023 0.000 0.264 84 G C 0.234 175.118 174.900 -0.026 0.000 0.975 84 G CA 0.166 45.256 45.100 -0.016 0.000 0.642 84 G HN 0.845 9.135 8.290 -0.000 0.000 0.536 85 A N -0.079 122.717 122.820 -0.041 0.000 2.401 85 A HA 0.815 5.148 4.320 0.023 0.000 0.259 85 A C 1.378 178.927 177.584 -0.059 0.000 1.103 85 A CA 0.967 52.966 52.037 -0.065 0.000 0.789 85 A CB 0.923 19.864 19.000 -0.098 0.000 1.035 85 A HN 1.691 9.841 8.150 -0.000 0.000 0.491 86 A N 2.170 124.954 122.820 -0.060 0.000 2.115 86 A HA 0.544 4.877 4.320 0.023 0.000 0.211 86 A C 1.053 178.586 177.584 -0.084 0.000 1.169 86 A CA 0.968 52.977 52.037 -0.046 0.000 0.787 86 A CB -0.058 18.930 19.000 -0.019 0.000 0.858 86 A HN 1.623 9.773 8.150 -0.000 0.000 0.474 87 G N -1.427 107.289 108.800 -0.139 0.000 2.660 87 G HA2 0.532 4.506 3.960 0.023 0.000 0.294 87 G HA3 0.532 4.506 3.960 0.023 0.000 0.294 87 G C -1.645 173.090 174.900 -0.275 0.000 1.369 87 G CA -0.364 44.618 45.100 -0.198 0.000 0.912 87 G HN 0.335 8.625 8.290 -0.000 0.000 0.479 88 V N -0.089 119.585 119.914 -0.401 0.000 2.760 88 V HA 0.783 4.916 4.120 0.023 0.000 0.309 88 V C -0.143 175.511 176.094 -0.734 0.000 1.077 88 V CA -0.749 61.197 62.300 -0.589 0.000 0.910 88 V CB 1.817 33.162 31.823 -0.797 0.000 1.008 88 V HN 1.345 9.535 8.190 -0.000 0.000 0.424 89 A N 2.231 124.724 122.820 -0.545 0.000 2.323 89 A HA 0.635 4.968 4.320 0.023 0.000 0.305 89 A C -0.857 176.522 177.584 -0.341 0.000 1.275 89 A CA -0.430 51.370 52.037 -0.395 0.000 0.804 89 A CB 0.142 19.016 19.000 -0.209 0.000 1.152 89 A HN 0.995 9.145 8.150 -0.000 0.000 0.487 90 H N 3.199 121.985 119.070 -0.474 0.000 2.911 90 H HA 0.505 5.082 4.556 0.034 0.000 0.273 90 H C 0.232 175.517 175.328 -0.072 0.000 1.157 90 H CA -0.448 55.453 56.048 -0.245 0.000 1.402 90 H CB 0.117 29.830 29.762 -0.081 0.000 1.463 90 H HN 0.541 8.821 8.280 -0.000 0.000 0.475 91 I N 3.048 123.408 120.570 -0.350 0.000 4.227 91 I HA 0.286 4.470 4.170 0.023 0.000 0.334 91 I C 0.955 176.907 176.117 -0.274 0.000 1.341 91 I CA -0.241 60.907 61.300 -0.252 0.000 1.123 91 I CB 0.228 38.138 38.000 -0.149 0.000 1.097 91 I HN 0.518 8.728 8.210 -0.000 0.000 0.399 92 A N 1.798 124.393 122.820 -0.374 0.000 2.445 92 A HA 0.513 4.847 4.320 0.023 0.000 0.242 92 A C 0.409 177.896 177.584 -0.162 0.000 1.075 92 A CA 0.234 52.169 52.037 -0.171 0.000 0.777 92 A CB 0.157 19.155 19.000 -0.002 0.000 1.013 92 A HN 0.386 8.536 8.150 -0.000 0.000 0.493 93 S N 0.475 116.164 115.700 -0.018 0.000 2.536 93 S HA 0.554 5.037 4.470 0.023 0.000 0.271 93 S C -0.744 173.895 174.600 0.065 0.000 1.134 93 S CA -0.766 57.453 58.200 0.032 0.000 0.897 93 S CB 0.974 64.203 63.200 0.048 0.000 1.094 93 S HN 0.860 9.170 8.310 -0.000 0.000 0.473 94 V N 2.679 122.637 119.914 0.073 0.000 2.655 94 V HA 0.201 4.334 4.120 0.023 0.000 0.300 94 V C 0.669 176.809 176.094 0.076 0.000 1.044 94 V CA -0.432 61.911 62.300 0.071 0.000 1.095 94 V CB 0.951 32.811 31.823 0.063 0.000 0.952 94 V HN 0.932 9.122 8.190 -0.000 0.000 0.485 95 V N 2.835 122.796 119.914 0.078 0.000 2.387 95 V HA 0.664 4.798 4.120 0.023 0.000 0.260 95 V C 0.236 176.392 176.094 0.102 0.000 1.054 95 V CA 0.299 62.657 62.300 0.097 0.000 0.967 95 V CB 0.475 32.351 31.823 0.088 0.000 1.036 95 V HN 0.888 9.078 8.190 -0.000 0.000 0.481 96 S N 4.213 119.985 115.700 0.120 0.000 2.584 96 S HA 0.536 5.019 4.470 0.023 0.000 0.282 96 S C -1.115 173.566 174.600 0.136 0.000 1.138 96 S CA -0.423 57.850 58.200 0.121 0.000 0.987 96 S CB 1.047 64.292 63.200 0.074 0.000 1.137 96 S HN 0.706 9.016 8.310 -0.000 0.000 0.457 97 F N 3.459 123.456 119.950 0.079 0.000 2.791 97 F HA 0.476 5.018 4.527 0.024 0.000 0.308 97 F C 0.390 176.237 175.800 0.077 0.000 1.138 97 F CA -0.145 57.906 58.000 0.085 0.000 1.294 97 F CB 0.696 39.745 39.000 0.081 0.000 0.975 97 F HN 0.470 8.770 8.300 -0.000 0.000 0.512 98 S N 0.710 116.544 115.700 0.223 0.000 2.499 98 S HA 0.136 4.620 4.470 0.023 0.000 0.279 98 S C 0.990 175.672 174.600 0.137 0.000 1.219 98 S CA -0.608 57.698 58.200 0.176 0.000 1.062 98 S CB 0.659 63.935 63.200 0.126 0.000 0.978 98 S HN 0.221 8.531 8.310 -0.000 0.000 0.489 99 N N 2.146 120.936 118.700 0.151 0.000 2.680 99 N HA -0.048 4.705 4.740 0.023 0.000 0.197 99 N C -0.281 175.302 175.510 0.123 0.000 1.288 99 N CA 0.602 53.734 53.050 0.135 0.000 0.924 99 N CB 0.071 38.647 38.487 0.148 0.000 1.025 99 N HN 0.378 8.758 8.380 -0.000 0.000 0.447 100 K N 0.806 121.270 120.400 0.107 0.000 2.316 100 K HA -0.008 4.325 4.320 0.023 0.000 0.289 100 K C 0.863 177.538 176.600 0.125 0.000 1.070 100 K CA -0.340 56.017 56.287 0.117 0.000 0.928 100 K CB 0.641 33.199 32.500 0.097 0.000 1.039 100 K HN 0.115 8.365 8.250 -0.000 0.000 0.480 101 Y N 3.838 124.171 120.300 0.055 0.000 2.009 101 Y HA -0.351 4.212 4.550 0.021 0.000 0.260 101 Y C 1.441 177.367 175.900 0.043 0.000 1.118 101 Y CA 2.187 60.318 58.100 0.051 0.000 1.087 101 Y CB 0.031 38.518 38.460 0.046 0.000 0.970 101 Y HN 0.637 8.917 8.280 -0.000 0.000 0.481 102 D N 0.025 120.656 120.400 0.385 0.000 2.172 102 D HA -0.246 4.408 4.640 0.023 0.000 0.196 102 D C 2.057 178.414 176.300 0.095 0.000 0.999 102 D CA 1.805 55.947 54.000 0.237 0.000 0.856 102 D CB -0.513 40.396 40.800 0.181 0.000 0.934 102 D HN 0.669 9.039 8.370 -0.000 0.000 0.453 103 E N 0.082 120.331 120.200 0.082 0.000 2.204 103 E HA -0.121 4.243 4.350 0.023 0.000 0.195 103 E C 1.538 178.150 176.600 0.020 0.000 0.990 103 E CA 0.709 57.141 56.400 0.052 0.000 0.821 103 E CB 0.319 30.058 29.700 0.064 0.000 0.750 103 E HN 0.110 8.470 8.360 -0.000 0.000 0.477 104 V N -0.460 119.438 119.914 -0.025 0.000 2.908 104 V HA -0.062 4.071 4.120 0.023 0.000 0.240 104 V C 2.113 178.141 176.094 -0.110 0.000 1.117 104 V CA 0.520 62.782 62.300 -0.063 0.000 1.133 104 V CB 0.700 32.469 31.823 -0.090 0.000 0.857 104 V HN 0.117 8.307 8.190 -0.000 0.000 0.478 105 V N 0.241 120.029 119.914 -0.209 0.000 2.379 105 V HA -0.222 3.912 4.120 0.023 0.000 0.245 105 V C 2.612 178.666 176.094 -0.066 0.000 1.044 105 V CA 2.639 64.809 62.300 -0.217 0.000 1.036 105 V CB -0.891 30.663 31.823 -0.449 0.000 0.664 105 V HN 0.572 8.762 8.190 -0.000 0.000 0.453 106 T N 0.553 115.100 114.554 -0.012 0.000 2.652 106 T HA -0.131 4.232 4.350 0.023 0.000 0.267 106 T C 0.003 174.713 174.700 0.017 0.000 1.039 106 T CA 2.189 64.304 62.100 0.025 0.000 1.153 106 T CB -1.214 67.681 68.868 0.045 0.000 0.863 106 T HN 0.433 8.673 8.240 -0.000 0.000 0.428 107 P HA 0.036 4.456 4.420 -0.000 0.000 0.217 107 P C 1.470 178.789 177.300 0.031 0.000 1.150 107 P CA 1.141 64.257 63.100 0.026 0.000 0.832 107 P CB -0.191 31.526 31.700 0.029 0.000 0.787 108 A N -0.501 122.325 122.820 0.011 0.000 1.877 108 A HA -0.192 4.141 4.320 0.023 0.000 0.216 108 A C 2.199 179.799 177.584 0.028 0.000 1.186 108 A CA 1.580 53.627 52.037 0.016 0.000 0.620 108 A CB -1.617 17.363 19.000 -0.032 0.000 0.822 108 A HN 0.107 8.257 8.150 -0.000 0.000 0.443 109 I N -0.456 120.120 120.570 0.011 0.000 2.252 109 I HA -0.167 4.016 4.170 0.023 0.000 0.245 109 I C 2.736 178.855 176.117 0.004 0.000 1.102 109 I CA 1.026 62.331 61.300 0.008 0.000 1.385 109 I CB -0.734 37.273 38.000 0.012 0.000 1.064 109 I HN 0.401 8.611 8.210 -0.000 0.000 0.414 110 G N 0.709 109.518 108.800 0.015 0.000 2.446 110 G HA2 -0.225 3.748 3.960 0.023 0.000 0.217 110 G HA3 -0.225 3.748 3.960 0.023 0.000 0.217 110 G C 1.721 176.631 174.900 0.016 0.000 1.168 110 G CA 0.931 46.038 45.100 0.012 0.000 0.771 110 G HN 0.498 8.788 8.290 -0.000 0.000 0.551 111 G N -0.119 108.716 108.800 0.059 0.000 2.422 111 G HA2 -0.108 3.865 3.960 0.023 0.000 0.218 111 G HA3 -0.108 3.865 3.960 0.023 0.000 0.218 111 G C 1.842 176.764 174.900 0.036 0.000 1.146 111 G CA 1.720 46.890 45.100 0.117 0.000 0.769 111 G HN 0.398 8.688 8.290 -0.000 0.000 0.547 112 T N 1.274 115.843 114.554 0.026 0.000 2.777 112 T HA 0.016 4.380 4.350 0.023 0.000 0.266 112 T C 2.400 176.934 174.700 -0.276 0.000 1.040 112 T CA 0.707 62.738 62.100 -0.116 0.000 1.141 112 T CB -0.157 68.706 68.868 -0.007 0.000 0.868 112 T HN 0.138 8.378 8.240 -0.000 0.000 0.444 113 L N 1.048 122.145 121.223 -0.209 0.000 2.156 113 L HA -0.033 4.321 4.340 0.023 0.000 0.208 113 L C 2.588 179.283 176.870 -0.293 0.000 1.095 113 L CA 0.817 55.473 54.840 -0.307 0.000 0.770 113 L CB -0.527 41.428 42.059 -0.174 0.000 0.914 113 L HN 0.220 8.450 8.230 -0.000 0.000 0.439 114 N N 0.485 119.097 118.700 -0.148 0.000 2.120 114 N HA -0.155 4.598 4.740 0.023 0.000 0.188 114 N C 1.778 177.267 175.510 -0.035 0.000 1.024 114 N CA 1.552 54.576 53.050 -0.043 0.000 0.852 114 N CB 0.004 38.522 38.487 0.052 0.000 1.003 114 N HN 0.283 8.663 8.380 -0.000 0.000 0.424 115 A N 0.209 122.922 122.820 -0.178 0.000 1.897 115 A HA 0.015 4.349 4.320 0.023 0.000 0.215 115 A C 2.322 179.756 177.584 -0.251 0.000 1.181 115 A CA 0.785 52.624 52.037 -0.329 0.000 0.620 115 A CB -0.661 17.916 19.000 -0.705 0.000 0.821 115 A HN 0.326 8.476 8.150 -0.000 0.000 0.443 116 L N -1.006 119.937 121.223 -0.467 0.000 2.093 116 L HA -0.154 4.200 4.340 0.023 0.000 0.208 116 L C 2.858 179.426 176.870 -0.503 0.000 1.085 116 L CA 1.191 55.606 54.840 -0.708 0.000 0.755 116 L CB -0.402 41.005 42.059 -1.088 0.000 0.904 116 L HN 0.344 8.574 8.230 -0.000 0.000 0.435 117 R N -0.283 119.942 120.500 -0.459 0.000 2.092 117 R HA -0.110 4.244 4.340 0.023 0.000 0.231 117 R C 2.402 178.707 176.300 0.008 0.000 1.119 117 R CA 1.204 57.219 56.100 -0.141 0.000 0.970 117 R CB -0.412 29.846 30.300 -0.069 0.000 0.864 117 R HN 0.347 8.617 8.270 -0.000 0.000 0.440 118 A N 1.381 124.191 122.820 -0.017 0.000 1.877 118 A HA -0.122 4.211 4.320 0.023 0.000 0.216 118 A C 2.388 179.984 177.584 0.018 0.000 1.186 118 A CA 1.723 53.782 52.037 0.035 0.000 0.620 118 A CB -0.631 18.411 19.000 0.070 0.000 0.822 118 A HN 0.382 8.532 8.150 -0.000 0.000 0.443 119 A N -0.177 122.618 122.820 -0.041 0.000 1.902 119 A HA 0.148 4.482 4.320 0.023 0.000 0.217 119 A C 2.490 180.153 177.584 0.132 0.000 1.181 119 A CA 2.119 54.104 52.037 -0.087 0.000 0.623 119 A CB -1.004 17.770 19.000 -0.377 0.000 0.818 119 A HN 1.102 9.252 8.150 -0.000 0.000 0.443 120 A N -0.352 122.664 122.820 0.327 0.000 1.972 120 A HA 0.200 4.533 4.320 0.023 0.000 0.219 120 A C 2.306 180.042 177.584 0.252 0.000 1.169 120 A CA 1.848 54.151 52.037 0.443 0.000 0.635 120 A CB -0.737 18.561 19.000 0.495 0.000 0.810 120 A HN 1.091 9.241 8.150 -0.000 0.000 0.446 121 A N -1.194 121.731 122.820 0.174 0.000 2.208 121 A HA 0.260 4.593 4.320 0.023 0.000 0.209 121 A C 0.872 178.518 177.584 0.103 0.000 1.161 121 A CA 1.044 53.155 52.037 0.124 0.000 0.782 121 A CB -0.305 18.752 19.000 0.096 0.000 0.816 121 A HN 0.268 8.418 8.150 -0.000 0.000 0.477 122 T N 1.352 115.969 114.554 0.105 0.000 2.947 122 T HA 0.362 4.726 4.350 0.023 0.000 0.337 122 T C -2.117 172.639 174.700 0.093 0.000 1.139 122 T CA -1.024 61.121 62.100 0.074 0.000 0.992 122 T CB 1.437 70.326 68.868 0.034 0.000 1.043 122 T HN 0.029 8.269 8.240 -0.000 0.000 0.498 123 P HA -0.195 4.225 4.420 -0.000 0.000 0.217 123 P C 1.823 179.166 177.300 0.072 0.000 1.148 123 P CA 1.039 64.193 63.100 0.090 0.000 0.834 123 P CB 0.100 31.833 31.700 0.054 0.000 0.783 124 S N -1.771 113.956 115.700 0.045 0.000 2.447 124 S HA -0.049 4.434 4.470 0.023 0.000 0.233 124 S C 0.922 175.538 174.600 0.026 0.000 1.006 124 S CA 0.377 58.593 58.200 0.028 0.000 0.957 124 S CB -1.316 61.890 63.200 0.010 0.000 0.773 124 S HN -0.093 8.217 8.310 -0.000 0.000 0.507 125 V N 3.005 122.937 119.914 0.029 0.000 2.479 125 V HA 0.215 4.348 4.120 0.023 0.000 0.281 125 V C 0.899 177.045 176.094 0.088 0.000 1.031 125 V CA -0.053 62.246 62.300 -0.003 0.000 1.038 125 V CB 0.900 32.670 31.823 -0.089 0.000 0.981 125 V HN 0.342 8.532 8.190 -0.000 0.000 0.478 126 K N 3.650 124.094 120.400 0.073 0.000 2.399 126 K HA 0.321 4.654 4.320 0.023 0.000 0.196 126 K C 0.570 177.276 176.600 0.178 0.000 1.103 126 K CA 0.167 56.541 56.287 0.145 0.000 0.986 126 K CB 0.650 33.202 32.500 0.086 0.000 0.952 126 K HN 0.383 8.633 8.250 -0.000 0.000 0.541 127 R N -0.008 120.541 120.500 0.080 0.000 2.686 127 R HA 0.395 4.749 4.340 0.023 0.000 0.283 127 R C -1.487 174.820 176.300 0.012 0.000 0.978 127 R CA -0.692 55.460 56.100 0.087 0.000 0.897 127 R CB 1.475 31.780 30.300 0.009 0.000 1.192 127 R HN -0.073 8.197 8.270 -0.000 0.000 0.457 128 F N 1.742 121.640 119.950 -0.087 0.000 2.557 128 F HA 0.433 4.970 4.527 0.016 0.000 0.316 128 F C -1.233 174.511 175.800 -0.093 0.000 1.141 128 F CA -0.850 57.031 58.000 -0.199 0.000 0.922 128 F CB 1.641 40.407 39.000 -0.390 0.000 1.194 128 F HN 0.137 8.437 8.300 -0.000 0.000 0.443 129 V N 7.988 127.862 119.914 -0.066 0.000 2.448 129 V HA 0.617 4.750 4.120 0.023 0.000 0.295 129 V C -1.693 174.438 176.094 0.061 0.000 1.025 129 V CA -0.692 61.628 62.300 0.034 0.000 0.859 129 V CB 1.571 33.367 31.823 -0.045 0.000 0.988 129 V HN 0.721 8.911 8.190 -0.000 0.000 0.431 130 L N 6.240 127.567 121.223 0.172 0.000 2.282 130 L HA 0.629 4.982 4.340 0.023 0.000 0.288 130 L C 0.334 177.264 176.870 0.100 0.000 1.033 130 L CA 0.558 55.517 54.840 0.199 0.000 0.807 130 L CB 1.849 44.005 42.059 0.162 0.000 1.209 130 L HN 0.727 8.957 8.230 -0.000 0.000 0.423 131 T N 4.084 118.711 114.554 0.121 0.000 2.739 131 T HA 0.297 4.661 4.350 0.023 0.000 0.298 131 T C 0.373 175.128 174.700 0.092 0.000 0.929 131 T CA 0.030 62.217 62.100 0.145 0.000 1.014 131 T CB 0.752 69.728 68.868 0.180 0.000 0.914 131 T HN 0.762 9.002 8.240 -0.000 0.000 0.509 132 S N 2.704 118.449 115.700 0.075 0.000 3.884 132 S HA 0.831 5.314 4.470 0.023 0.000 0.212 132 S C 0.033 174.677 174.600 0.073 0.000 1.037 132 S CA -0.421 57.821 58.200 0.069 0.000 1.611 132 S CB 0.992 64.238 63.200 0.076 0.000 0.898 132 S HN 0.698 9.008 8.310 -0.000 0.000 0.672 133 S N -1.177 114.563 115.700 0.067 0.000 2.597 133 S HA 0.302 4.786 4.470 0.023 0.000 0.274 133 S C 0.458 175.118 174.600 0.101 0.000 1.132 133 S CA 0.286 58.542 58.200 0.094 0.000 0.835 133 S CB 0.507 63.789 63.200 0.137 0.000 1.092 133 S HN 0.873 9.183 8.310 -0.000 0.000 0.457 134 T N 0.515 115.139 114.554 0.116 0.000 2.977 134 T HA -0.070 4.293 4.350 0.023 0.000 0.271 134 T C 1.946 176.739 174.700 0.156 0.000 1.105 134 T CA 1.651 63.851 62.100 0.167 0.000 1.116 134 T CB -1.106 67.805 68.868 0.073 0.000 0.878 134 T HN 1.287 9.527 8.240 -0.000 0.000 0.509 135 V N 0.915 120.903 119.914 0.125 0.000 3.241 135 V HA -0.011 4.122 4.120 0.023 0.000 0.269 135 V C 2.415 178.562 176.094 0.088 0.000 1.151 135 V CA 1.271 63.627 62.300 0.093 0.000 1.158 135 V CB -1.343 30.543 31.823 0.106 0.000 0.764 135 V HN 0.644 8.834 8.190 -0.000 0.000 0.508 136 S N -0.024 115.732 115.700 0.093 0.000 2.562 136 S HA 0.376 4.859 4.470 0.023 0.000 0.221 136 S C 1.656 176.314 174.600 0.097 0.000 0.975 136 S CA 0.685 58.965 58.200 0.134 0.000 0.918 136 S CB 0.307 63.588 63.200 0.135 0.000 0.772 136 S HN 0.960 9.270 8.310 -0.000 0.000 0.531 137 A N 1.222 124.087 122.820 0.074 0.000 1.999 137 A HA 0.732 5.066 4.320 0.023 0.000 0.200 137 A C 0.585 178.207 177.584 0.063 0.000 1.363 137 A CA 0.492 52.546 52.037 0.030 0.000 0.844 137 A CB 0.053 19.106 19.000 0.089 0.000 0.954 137 A HN 1.012 9.162 8.150 -0.000 0.000 0.481 138 L N -3.298 117.973 121.223 0.080 0.000 2.947 138 L HA 0.581 4.935 4.340 0.023 0.000 0.267 138 L C -2.117 174.767 176.870 0.024 0.000 1.004 138 L CA -1.153 53.728 54.840 0.068 0.000 0.937 138 L CB 1.026 43.093 42.059 0.012 0.000 1.496 138 L HN -0.066 8.164 8.230 -0.000 0.000 0.409 139 I N 1.634 122.182 120.570 -0.038 0.000 2.359 139 I HA 0.493 4.676 4.170 0.023 0.000 0.294 139 I C -2.095 173.984 176.117 -0.064 0.000 0.987 139 I CA -2.246 58.942 61.300 -0.186 0.000 1.225 139 I CB 1.173 38.801 38.000 -0.620 0.000 1.366 139 I HN 0.533 8.743 8.210 -0.000 0.000 0.466 140 P HA 0.036 4.456 4.420 -0.000 0.000 0.265 140 P C -0.935 176.354 177.300 -0.018 0.000 1.187 140 P CA 0.215 63.301 63.100 -0.023 0.000 0.766 140 P CB 0.313 31.985 31.700 -0.046 0.000 0.820 141 K N 4.078 124.474 120.400 -0.007 0.000 2.579 141 K HA 0.334 4.668 4.320 0.023 0.000 0.225 141 K C -2.576 174.015 176.600 -0.014 0.000 0.992 141 K CA -1.817 54.475 56.287 0.008 0.000 1.018 141 K CB 1.099 33.617 32.500 0.030 0.000 1.249 141 K HN 0.279 8.529 8.250 -0.000 0.000 0.489 142 P HA -0.034 4.386 4.420 -0.000 0.000 0.262 142 P C -0.327 176.955 177.300 -0.030 0.000 1.182 142 P CA 0.332 63.404 63.100 -0.047 0.000 0.761 142 P CB 0.393 32.059 31.700 -0.056 0.000 0.795 143 N N -0.696 117.982 118.700 -0.037 0.000 2.815 143 N HA -0.143 4.611 4.740 0.023 0.000 0.247 143 N C -0.497 175.003 175.510 -0.016 0.000 1.030 143 N CA 0.713 53.747 53.050 -0.026 0.000 0.881 143 N CB -1.827 36.647 38.487 -0.021 0.000 1.134 143 N HN 0.177 8.557 8.380 -0.000 0.000 0.582 144 V N 1.417 121.323 119.914 -0.013 0.000 2.461 144 V HA 0.135 4.269 4.120 0.023 0.000 0.275 144 V C 0.958 177.045 176.094 -0.010 0.000 1.047 144 V CA -0.223 62.073 62.300 -0.007 0.000 0.955 144 V CB 1.407 33.231 31.823 0.001 0.000 0.988 144 V HN 0.071 8.261 8.190 -0.000 0.000 0.471 145 E N 2.723 122.918 120.200 -0.008 0.000 2.314 145 E HA 0.553 4.917 4.350 0.023 0.000 0.262 145 E C 1.066 177.660 176.600 -0.009 0.000 1.093 145 E CA 0.151 56.545 56.400 -0.010 0.000 0.908 145 E CB 1.094 30.789 29.700 -0.009 0.000 1.091 145 E HN 0.954 9.314 8.360 -0.000 0.000 0.425 146 G N 1.174 109.968 108.800 -0.010 0.000 2.136 146 G HA2 -0.264 3.709 3.960 0.023 0.000 0.242 146 G HA3 -0.264 3.709 3.960 0.023 0.000 0.242 146 G C 0.022 174.921 174.900 -0.003 0.000 0.989 146 G CA -0.151 44.945 45.100 -0.006 0.000 0.682 146 G HN 0.393 8.683 8.290 -0.000 0.000 0.522 147 I N 0.543 121.103 120.570 -0.017 0.000 2.312 147 I HA 0.474 4.657 4.170 0.023 0.000 0.290 147 I C -0.256 175.832 176.117 -0.048 0.000 1.008 147 I CA -1.073 60.195 61.300 -0.052 0.000 1.226 147 I CB 1.037 38.979 38.000 -0.097 0.000 1.371 147 I HN 0.117 8.327 8.210 -0.000 0.000 0.468 148 Y N 7.939 128.116 120.300 -0.206 0.000 2.329 148 Y HA 0.496 5.060 4.550 0.024 0.000 0.328 148 Y C -1.501 174.221 175.900 -0.296 0.000 0.992 148 Y CA -1.221 56.732 58.100 -0.246 0.000 1.151 148 Y CB 1.105 39.482 38.460 -0.138 0.000 1.150 148 Y HN 0.268 8.548 8.280 -0.000 0.000 0.450 149 L N 7.068 127.737 121.223 -0.924 0.000 2.272 149 L HA 0.381 4.734 4.340 0.023 0.000 0.289 149 L C -0.339 176.050 176.870 -0.802 0.000 1.032 149 L CA -0.483 53.852 54.840 -0.842 0.000 0.810 149 L CB 0.755 42.157 42.059 -1.095 0.000 1.205 149 L HN 0.795 9.025 8.230 -0.000 0.000 0.422 150 D N 0.753 120.880 120.400 -0.455 0.000 2.689 150 D HA 0.218 4.871 4.640 0.023 0.000 0.255 150 D C 0.378 176.660 176.300 -0.030 0.000 1.113 150 D CA -0.641 53.231 54.000 -0.215 0.000 1.115 150 D CB 0.718 41.373 40.800 -0.241 0.000 1.334 150 D HN 0.393 8.762 8.370 -0.000 0.000 0.621 151 E N -0.959 119.195 120.200 -0.077 0.000 2.515 151 E HA -0.063 4.300 4.350 0.023 0.000 0.201 151 E C 0.660 177.118 176.600 -0.237 0.000 1.071 151 E CA 0.637 56.913 56.400 -0.208 0.000 0.880 151 E CB -0.020 29.564 29.700 -0.195 0.000 0.828 151 E HN 0.312 8.672 8.360 -0.000 0.000 0.540 152 K N 0.183 120.491 120.400 -0.152 0.000 2.358 152 K HA 0.164 4.498 4.320 0.023 0.000 0.200 152 K C -0.057 176.490 176.600 -0.089 0.000 1.030 152 K CA -0.113 56.146 56.287 -0.047 0.000 1.097 152 K CB 1.054 33.568 32.500 0.023 0.000 0.862 152 K HN -0.140 8.110 8.250 -0.000 0.000 0.534 153 S N 1.121 116.660 115.700 -0.269 0.000 2.474 153 S HA 0.251 4.734 4.470 0.023 0.000 0.276 153 S C -0.973 173.355 174.600 -0.453 0.000 1.227 153 S CA -0.439 57.627 58.200 -0.224 0.000 1.050 153 S CB 0.238 63.323 63.200 -0.191 0.000 0.939 153 S HN 0.162 8.472 8.310 -0.000 0.000 0.490 154 W N 1.851 123.177 121.300 0.043 0.000 2.819 154 W HA 0.388 5.062 4.660 0.022 0.000 0.337 154 W C 0.412 176.978 176.519 0.079 0.000 1.077 154 W CA -0.816 56.568 57.345 0.065 0.000 1.226 154 W CB 0.850 30.341 29.460 0.052 0.000 1.419 154 W HN 0.415 8.595 8.180 -0.000 0.000 0.502 155 N N 2.951 121.862 118.700 0.350 0.000 3.254 155 N HA 0.082 4.836 4.740 0.023 0.000 0.308 155 N C 0.763 176.444 175.510 0.285 0.000 1.281 155 N CA 0.202 53.421 53.050 0.281 0.000 1.212 155 N CB -0.051 38.589 38.487 0.256 0.000 1.478 155 N HN 0.523 8.903 8.380 -0.000 0.000 0.548 156 L N 0.028 121.401 121.223 0.249 0.000 2.191 156 L HA -0.148 4.205 4.340 0.023 0.000 0.212 156 L C 2.155 179.110 176.870 0.141 0.000 1.103 156 L CA 1.029 55.976 54.840 0.177 0.000 0.769 156 L CB -0.222 41.917 42.059 0.134 0.000 0.908 156 L HN 0.497 8.727 8.230 -0.000 0.000 0.438 157 E N 0.536 120.825 120.200 0.148 0.000 2.268 157 E HA -0.185 4.178 4.350 0.023 0.000 0.195 157 E C 2.110 178.740 176.600 0.051 0.000 0.995 157 E CA 1.231 57.670 56.400 0.066 0.000 0.836 157 E CB -0.168 29.559 29.700 0.045 0.000 0.763 157 E HN 0.482 8.842 8.360 -0.000 0.000 0.491 158 S N 1.100 116.966 115.700 0.277 0.000 2.402 158 S HA -0.130 4.353 4.470 0.023 0.000 0.229 158 S C 2.034 176.799 174.600 0.275 0.000 1.021 158 S CA 0.868 59.330 58.200 0.436 0.000 0.974 158 S CB -0.617 62.911 63.200 0.548 0.000 0.800 158 S HN 0.350 8.660 8.310 -0.000 0.000 0.484 159 I N 2.342 123.043 120.570 0.217 0.000 2.142 159 I HA -0.186 3.997 4.170 0.023 0.000 0.240 159 I C 2.671 178.871 176.117 0.138 0.000 1.078 159 I CA 2.046 63.487 61.300 0.235 0.000 1.343 159 I CB -0.622 37.476 38.000 0.162 0.000 1.046 159 I HN 0.364 8.574 8.210 -0.000 0.000 0.405 160 D N 1.093 121.511 120.400 0.030 0.000 2.084 160 D HA -0.184 4.469 4.640 0.023 0.000 0.196 160 D C 2.173 178.429 176.300 -0.073 0.000 0.985 160 D CA 1.529 55.503 54.000 -0.044 0.000 0.826 160 D CB 0.039 40.798 40.800 -0.069 0.000 0.978 160 D HN 0.093 8.463 8.370 -0.000 0.000 0.456 161 K N 0.008 120.308 120.400 -0.166 0.000 2.063 161 K HA -0.115 4.218 4.320 0.023 0.000 0.208 161 K C 2.217 178.768 176.600 -0.081 0.000 1.048 161 K CA 1.107 57.212 56.287 -0.303 0.000 0.928 161 K CB -0.269 31.696 32.500 -0.892 0.000 0.713 161 K HN 0.198 8.448 8.250 -0.000 0.000 0.442 162 A N 2.321 125.215 122.820 0.122 0.000 2.024 162 A HA -0.207 4.126 4.320 0.023 0.000 0.220 162 A C 1.826 179.576 177.584 0.277 0.000 1.164 162 A CA 1.855 54.067 52.037 0.292 0.000 0.643 162 A CB -0.314 18.939 19.000 0.423 0.000 0.806 162 A HN 0.458 8.608 8.150 -0.000 0.000 0.451 163 K N -1.475 119.014 120.400 0.148 0.000 2.374 163 K HA 0.088 4.421 4.320 0.023 0.000 0.202 163 K C 1.134 177.732 176.600 -0.004 0.000 1.040 163 K CA 0.931 57.246 56.287 0.045 0.000 1.085 163 K CB 0.084 32.482 32.500 -0.169 0.000 0.873 163 K HN 0.373 8.623 8.250 -0.000 0.000 0.539 164 T N -1.363 113.180 114.554 -0.018 0.000 3.026 164 T HA 0.265 4.628 4.350 0.023 0.000 0.245 164 T C 0.810 175.496 174.700 -0.024 0.000 1.004 164 T CA -0.453 61.627 62.100 -0.034 0.000 1.069 164 T CB -0.209 68.621 68.868 -0.063 0.000 1.005 164 T HN 0.006 8.246 8.240 -0.000 0.000 0.472 165 L N 4.026 125.231 121.223 -0.030 0.000 2.514 165 L HA 0.274 4.628 4.340 0.023 0.000 0.280 165 L C -1.803 175.087 176.870 0.033 0.000 1.223 165 L CA -1.748 53.085 54.840 -0.012 0.000 0.864 165 L CB 0.164 42.214 42.059 -0.015 0.000 1.118 165 L HN 0.211 8.441 8.230 -0.000 0.000 0.494 166 P HA 0.045 4.465 4.420 -0.000 0.000 0.274 166 P C -0.136 177.205 177.300 0.069 0.000 1.237 166 P CA -0.390 62.737 63.100 0.046 0.000 0.793 166 P CB 0.785 32.507 31.700 0.036 0.000 0.977 167 E N 0.517 120.759 120.200 0.070 0.000 2.333 167 E HA -0.102 4.262 4.350 0.023 0.000 0.198 167 E C 1.729 178.378 176.600 0.081 0.000 1.007 167 E CA 1.331 57.781 56.400 0.083 0.000 0.845 167 E CB -0.483 29.262 29.700 0.075 0.000 0.766 167 E HN 0.547 8.907 8.360 -0.000 0.000 0.507 168 S N 0.241 115.981 115.700 0.067 0.000 2.522 168 S HA -0.072 4.412 4.470 0.023 0.000 0.227 168 S C 0.874 175.518 174.600 0.074 0.000 0.986 168 S CA -0.065 58.172 58.200 0.062 0.000 0.929 168 S CB 0.010 63.239 63.200 0.048 0.000 0.769 168 S HN 0.058 8.368 8.310 -0.000 0.000 0.529 169 D N 3.191 123.644 120.400 0.089 0.000 2.401 169 D HA 0.121 4.775 4.640 0.023 0.000 0.254 169 D C -1.708 174.670 176.300 0.130 0.000 1.192 169 D CA -1.522 52.545 54.000 0.112 0.000 0.885 169 D CB 1.282 42.163 40.800 0.134 0.000 1.147 169 D HN 0.058 8.428 8.370 -0.000 0.000 0.478 170 P HA -0.140 4.280 4.420 -0.000 0.000 0.220 170 P C 0.589 177.960 177.300 0.118 0.000 1.144 170 P CA 1.179 64.338 63.100 0.098 0.000 0.800 170 P CB 0.240 31.986 31.700 0.077 0.000 0.772 171 Q N -1.630 118.275 119.800 0.175 0.000 2.247 171 Q HA 0.065 4.419 4.340 0.023 0.000 0.204 171 Q C 1.704 177.886 176.000 0.304 0.000 0.872 171 Q CA -0.164 55.749 55.803 0.185 0.000 0.951 171 Q CB 0.117 28.966 28.738 0.184 0.000 1.099 171 Q HN 0.037 8.307 8.270 -0.000 0.000 0.501 172 K N 1.770 122.350 120.400 0.300 0.000 2.015 172 K HA -0.243 4.091 4.320 0.023 0.000 0.216 172 K C 2.048 178.820 176.600 0.286 0.000 1.052 172 K CA 2.586 59.058 56.287 0.309 0.000 0.937 172 K CB -0.478 32.148 32.500 0.209 0.000 0.719 172 K HN 0.209 8.459 8.250 -0.000 0.000 0.446 173 S N 0.218 116.063 115.700 0.242 0.000 2.399 173 S HA -0.160 4.324 4.470 0.023 0.000 0.231 173 S C 1.948 176.641 174.600 0.155 0.000 1.022 173 S CA 1.207 59.547 58.200 0.235 0.000 0.983 173 S CB -0.628 62.844 63.200 0.454 0.000 0.803 173 S HN 0.346 8.656 8.310 -0.000 0.000 0.480 174 L N 0.224 121.524 121.223 0.128 0.000 2.093 174 L HA 0.215 4.568 4.340 0.023 0.000 0.208 174 L C 2.072 178.945 176.870 0.004 0.000 1.085 174 L CA 1.349 56.196 54.840 0.012 0.000 0.755 174 L CB -0.977 41.002 42.059 -0.133 0.000 0.904 174 L HN 0.406 8.636 8.230 -0.000 0.000 0.435 175 W N -1.380 119.997 121.300 0.129 0.000 2.418 175 W HA -0.067 4.605 4.660 0.021 0.000 0.292 175 W C 2.440 179.013 176.519 0.090 0.000 1.213 175 W CA 1.111 58.525 57.345 0.114 0.000 1.283 175 W CB -0.365 29.159 29.460 0.106 0.000 1.119 175 W HN -0.115 8.065 8.180 -0.000 0.000 0.542 176 V N -0.189 119.894 119.914 0.282 0.000 2.343 176 V HA -0.357 3.777 4.120 0.023 0.000 0.247 176 V C 1.834 177.945 176.094 0.029 0.000 1.051 176 V CA 2.060 64.430 62.300 0.116 0.000 1.036 176 V CB -1.237 30.630 31.823 0.072 0.000 0.654 176 V HN 0.295 8.485 8.190 -0.000 0.000 0.451 177 Y N 1.531 121.780 120.300 -0.083 0.000 2.145 177 Y HA -0.238 4.326 4.550 0.023 0.000 0.286 177 Y C 2.392 178.268 175.900 -0.039 0.000 1.145 177 Y CA 1.837 59.863 58.100 -0.122 0.000 1.148 177 Y CB -0.484 37.870 38.460 -0.176 0.000 0.981 177 Y HN 0.143 8.423 8.280 -0.000 0.000 0.507 178 A N 0.817 123.629 122.820 -0.012 0.000 1.908 178 A HA -0.161 4.173 4.320 0.023 0.000 0.218 178 A C 2.407 179.983 177.584 -0.013 0.000 1.181 178 A CA 1.979 53.984 52.037 -0.053 0.000 0.627 178 A CB -1.547 17.488 19.000 0.057 0.000 0.818 178 A HN 0.673 8.823 8.150 -0.000 0.000 0.445 179 A N 0.292 123.146 122.820 0.057 0.000 1.902 179 A HA -0.096 4.237 4.320 0.023 0.000 0.217 179 A C 2.539 180.085 177.584 -0.064 0.000 1.181 179 A CA 2.385 54.456 52.037 0.057 0.000 0.623 179 A CB -1.008 18.033 19.000 0.068 0.000 0.818 179 A HN 1.034 9.184 8.150 -0.000 0.000 0.443 180 S N -0.131 115.466 115.700 -0.173 0.000 2.368 180 S HA -0.179 4.304 4.470 0.023 0.000 0.225 180 S C 1.858 176.369 174.600 -0.149 0.000 1.030 180 S CA 1.444 59.534 58.200 -0.184 0.000 0.999 180 S CB -0.269 62.808 63.200 -0.205 0.000 0.844 180 S HN 0.444 8.754 8.310 -0.000 0.000 0.459 181 K N 1.230 121.486 120.400 -0.241 0.000 2.103 181 K HA 0.068 4.401 4.320 0.023 0.000 0.204 181 K C 2.394 179.007 176.600 0.022 0.000 1.052 181 K CA 1.549 57.737 56.287 -0.165 0.000 0.945 181 K CB -1.502 30.812 32.500 -0.310 0.000 0.722 181 K HN 0.511 8.761 8.250 -0.000 0.000 0.443 182 T N 2.085 116.681 114.554 0.071 0.000 2.674 182 T HA -0.098 4.266 4.350 0.023 0.000 0.265 182 T C 1.690 176.501 174.700 0.185 0.000 1.039 182 T CA 1.174 63.413 62.100 0.232 0.000 1.150 182 T CB -0.054 68.963 68.868 0.247 0.000 0.864 182 T HN 0.205 8.445 8.240 -0.000 0.000 0.427 183 E N 1.200 121.456 120.200 0.093 0.000 2.110 183 E HA -0.061 4.303 4.350 0.023 0.000 0.193 183 E C 2.556 179.182 176.600 0.043 0.000 0.988 183 E CA 1.118 57.551 56.400 0.055 0.000 0.804 183 E CB -0.442 29.289 29.700 0.052 0.000 0.745 183 E HN 0.499 8.859 8.360 -0.000 0.000 0.458 184 A N 1.324 124.169 122.820 0.041 0.000 1.877 184 A HA -0.219 4.115 4.320 0.023 0.000 0.216 184 A C 2.125 179.742 177.584 0.056 0.000 1.186 184 A CA 1.677 53.734 52.037 0.034 0.000 0.620 184 A CB -0.454 18.561 19.000 0.026 0.000 0.822 184 A HN 0.245 8.395 8.150 -0.000 0.000 0.443 185 E N -0.331 119.953 120.200 0.140 0.000 2.106 185 E HA -0.110 4.253 4.350 0.023 0.000 0.192 185 E C 1.970 178.722 176.600 0.254 0.000 0.984 185 E CA 0.737 57.273 56.400 0.226 0.000 0.806 185 E CB -0.159 29.818 29.700 0.462 0.000 0.750 185 E HN 0.632 8.992 8.360 -0.000 0.000 0.458 186 L N 0.353 121.656 121.223 0.133 0.000 2.046 186 L HA -0.191 4.162 4.340 0.023 0.000 0.208 186 L C 2.634 179.512 176.870 0.013 0.000 1.077 186 L CA 1.162 55.953 54.840 -0.081 0.000 0.747 186 L CB -0.448 41.455 42.059 -0.260 0.000 0.896 186 L HN 0.193 8.423 8.230 -0.000 0.000 0.432 187 A N -0.161 122.665 122.820 0.009 0.000 1.933 187 A HA -0.166 4.167 4.320 0.023 0.000 0.218 187 A C 2.509 180.099 177.584 0.010 0.000 1.175 187 A CA 1.684 53.728 52.037 0.012 0.000 0.628 187 A CB -0.618 18.384 19.000 0.002 0.000 0.814 187 A HN 0.424 8.574 8.150 -0.000 0.000 0.444 188 A N -1.134 121.645 122.820 -0.068 0.000 1.877 188 A HA -0.139 4.194 4.320 0.023 0.000 0.216 188 A C 1.997 179.480 177.584 -0.168 0.000 1.186 188 A CA 1.330 53.241 52.037 -0.210 0.000 0.620 188 A CB -0.933 17.829 19.000 -0.397 0.000 0.822 188 A HN 0.751 8.901 8.150 -0.000 0.000 0.443 189 W N -0.059 121.268 121.300 0.045 0.000 2.402 189 W HA -0.045 4.634 4.660 0.031 0.000 0.286 189 W C 2.331 178.850 176.519 -0.001 0.000 1.221 189 W CA 1.294 58.658 57.345 0.032 0.000 1.257 189 W CB 0.045 29.532 29.460 0.044 0.000 1.120 189 W HN 0.292 8.472 8.180 -0.000 0.000 0.551 190 K N 0.218 120.727 120.400 0.183 0.000 2.057 190 K HA -0.231 4.103 4.320 0.023 0.000 0.207 190 K C 1.991 178.624 176.600 0.055 0.000 1.049 190 K CA 1.587 57.923 56.287 0.083 0.000 0.931 190 K CB -0.613 31.912 32.500 0.042 0.000 0.714 190 K HN 0.128 8.378 8.250 -0.000 0.000 0.440 191 F N 1.265 121.178 119.950 -0.061 0.000 2.126 191 F HA -0.239 4.298 4.527 0.018 0.000 0.299 191 F C 1.950 177.678 175.800 -0.121 0.000 1.096 191 F CA 1.377 59.319 58.000 -0.096 0.000 1.255 191 F CB -0.032 38.892 39.000 -0.127 0.000 0.997 191 F HN 0.024 8.324 8.300 -0.000 0.000 0.479 192 M N 0.223 119.833 119.600 0.016 0.000 2.117 192 M HA -0.189 4.305 4.480 0.023 0.000 0.262 192 M C 1.784 177.989 176.300 -0.160 0.000 1.065 192 M CA 1.492 56.726 55.300 -0.109 0.000 1.114 192 M CB -1.371 31.237 32.600 0.013 0.000 1.361 192 M HN 0.140 8.430 8.290 -0.000 0.000 0.408 193 D N 0.188 120.548 120.400 -0.067 0.000 2.144 193 D HA -0.112 4.542 4.640 0.023 0.000 0.200 193 D C 2.008 178.222 176.300 -0.143 0.000 0.978 193 D CA 1.074 55.028 54.000 -0.076 0.000 0.833 193 D CB -0.130 40.658 40.800 -0.020 0.000 0.961 193 D HN 0.496 8.866 8.370 -0.000 0.000 0.470 194 E N 0.175 120.261 120.200 -0.190 0.000 2.051 194 E HA -0.054 4.310 4.350 0.023 0.000 0.189 194 E C 1.518 177.937 176.600 -0.303 0.000 0.979 194 E CA 0.613 56.885 56.400 -0.214 0.000 0.803 194 E CB 0.036 29.622 29.700 -0.191 0.000 0.761 194 E HN 0.149 8.509 8.360 -0.000 0.000 0.451 195 N N 0.413 118.810 118.700 -0.504 0.000 2.415 195 N HA 0.014 4.768 4.740 0.023 0.000 0.176 195 N C -0.577 174.668 175.510 -0.443 0.000 1.042 195 N CA 0.255 52.972 53.050 -0.554 0.000 0.902 195 N CB 0.232 38.117 38.487 -1.004 0.000 0.986 195 N HN -0.043 8.337 8.380 -0.000 0.000 0.447 196 K N 0.489 120.638 120.400 -0.417 0.000 3.451 196 K HA -0.137 4.196 4.320 0.023 0.000 0.273 196 K C -2.436 173.889 176.600 -0.458 0.000 0.944 196 K CA 0.128 56.200 56.287 -0.358 0.000 0.734 196 K CB -1.490 30.854 32.500 -0.261 0.000 1.437 196 K HN 0.371 8.621 8.250 -0.000 0.000 0.454 197 P HA -0.045 4.375 4.420 -0.000 0.000 0.271 197 P C -0.132 176.839 177.300 -0.549 0.000 1.233 197 P CA 0.069 62.856 63.100 -0.522 0.000 0.789 197 P CB 0.431 31.825 31.700 -0.510 0.000 0.951 198 H N 0.865 119.876 119.070 -0.099 0.000 2.820 198 H HA 0.223 4.792 4.556 0.022 0.000 0.291 198 H C 0.044 175.442 175.328 0.117 0.000 1.412 198 H CA 0.185 56.229 56.048 -0.006 0.000 1.176 198 H CB -1.295 28.496 29.762 0.049 0.000 1.467 198 H HN 0.335 8.615 8.280 -0.000 0.000 0.517 199 F N -2.321 117.686 119.950 0.095 0.000 2.645 199 F HA 0.510 5.045 4.527 0.013 0.000 0.310 199 F C -0.542 175.297 175.800 0.066 0.000 1.102 199 F CA -1.318 56.734 58.000 0.087 0.000 0.952 199 F CB 0.897 39.956 39.000 0.098 0.000 1.326 199 F HN -0.325 7.975 8.300 -0.000 0.000 0.456 200 T N 3.314 118.081 114.554 0.356 0.000 2.837 200 T HA 0.584 4.948 4.350 0.023 0.000 0.285 200 T C -1.038 173.877 174.700 0.358 0.000 0.984 200 T CA -0.330 61.911 62.100 0.236 0.000 1.049 200 T CB 1.307 70.274 68.868 0.165 0.000 0.947 200 T HN 0.710 8.950 8.240 -0.000 0.000 0.472 201 L N 4.077 125.451 121.223 0.251 0.000 2.325 201 L HA 0.670 5.023 4.340 0.023 0.000 0.278 201 L C -0.621 176.366 176.870 0.195 0.000 1.023 201 L CA -0.268 54.687 54.840 0.191 0.000 0.811 201 L CB 1.242 43.253 42.059 -0.079 0.000 1.249 201 L HN 0.489 8.719 8.230 -0.000 0.000 0.431 202 N N 2.912 121.703 118.700 0.151 0.000 2.329 202 N HA 0.816 5.569 4.740 0.023 0.000 0.282 202 N C -1.691 173.887 175.510 0.113 0.000 1.198 202 N CA -0.467 52.706 53.050 0.205 0.000 0.790 202 N CB 2.258 40.816 38.487 0.119 0.000 1.579 202 N HN 0.760 9.140 8.380 -0.000 0.000 0.475 203 A N 0.628 123.546 122.820 0.162 0.000 2.414 203 A HA 0.704 5.037 4.320 0.023 0.000 0.306 203 A C -0.980 176.580 177.584 -0.040 0.000 1.054 203 A CA -0.537 51.543 52.037 0.071 0.000 0.724 203 A CB 1.220 20.330 19.000 0.184 0.000 1.267 203 A HN 0.299 8.449 8.150 -0.000 0.000 0.418 204 V N 2.448 122.279 119.914 -0.139 0.000 2.417 204 V HA 0.407 4.541 4.120 0.023 0.000 0.291 204 V C -1.007 175.026 176.094 -0.101 0.000 1.024 204 V CA -0.303 61.868 62.300 -0.216 0.000 0.861 204 V CB 1.242 32.724 31.823 -0.567 0.000 0.985 204 V HN 0.671 8.861 8.190 -0.000 0.000 0.436 205 L N 8.287 129.456 121.223 -0.091 0.000 2.371 205 L HA 0.489 4.842 4.340 0.023 0.000 0.262 205 L C -2.476 174.399 176.870 0.008 0.000 1.054 205 L CA -1.421 53.403 54.840 -0.025 0.000 0.924 205 L CB 0.999 43.021 42.059 -0.061 0.000 1.295 205 L HN 0.428 8.658 8.230 -0.000 0.000 0.441 206 P HA 0.242 4.662 4.420 -0.000 0.000 0.277 206 P C -0.190 177.114 177.300 0.007 0.000 1.240 206 P CA -0.275 62.832 63.100 0.013 0.000 0.798 206 P CB 1.355 33.092 31.700 0.061 0.000 0.979 207 N N 1.017 119.694 118.700 -0.038 0.000 1.785 207 N HA 0.090 4.844 4.740 0.023 0.000 0.230 207 N C -0.610 174.985 175.510 0.141 0.000 1.188 207 N CA -0.473 52.594 53.050 0.029 0.000 0.977 207 N CB -0.077 38.388 38.487 -0.036 0.000 1.309 207 N HN 0.298 8.678 8.380 -0.000 0.000 0.396 208 Y N 1.369 121.742 120.300 0.121 0.000 2.535 208 Y HA 0.227 4.792 4.550 0.024 0.000 0.349 208 Y C -0.730 175.240 175.900 0.118 0.000 0.992 208 Y CA -0.457 57.750 58.100 0.177 0.000 1.248 208 Y CB 0.401 39.040 38.460 0.299 0.000 1.124 208 Y HN 0.193 8.473 8.280 -0.000 0.000 0.520 209 T N 7.548 122.146 114.554 0.073 0.000 2.761 209 T HA 0.386 4.750 4.350 0.023 0.000 0.296 209 T C -0.128 174.716 174.700 0.240 0.000 0.934 209 T CA -0.085 62.105 62.100 0.150 0.000 1.091 209 T CB 0.043 68.989 68.868 0.130 0.000 0.896 209 T HN 0.450 8.690 8.240 -0.000 0.000 0.515 210 I N 2.932 123.640 120.570 0.230 0.000 2.406 210 I HA 0.708 4.891 4.170 0.023 0.000 0.290 210 I C 0.710 176.918 176.117 0.151 0.000 0.999 210 I CA -0.383 61.033 61.300 0.193 0.000 1.124 210 I CB 1.725 39.796 38.000 0.118 0.000 1.289 210 I HN 0.817 9.027 8.210 -0.000 0.000 0.441 211 G N 3.050 111.962 108.800 0.187 0.000 2.342 211 G HA2 0.255 4.228 3.960 0.023 0.000 0.297 211 G HA3 0.255 4.228 3.960 0.023 0.000 0.297 211 G C -1.129 173.874 174.900 0.171 0.000 1.313 211 G CA -0.654 44.512 45.100 0.111 0.000 0.830 211 G HN 0.335 8.625 8.290 -0.000 0.000 0.506 212 T N 0.979 115.625 114.554 0.153 0.000 2.902 212 T HA 0.284 4.647 4.350 0.023 0.000 0.301 212 T C 0.576 175.353 174.700 0.128 0.000 1.012 212 T CA 0.568 62.750 62.100 0.137 0.000 1.151 212 T CB 0.229 69.213 68.868 0.194 0.000 0.946 212 T HN 0.353 8.593 8.240 -0.000 0.000 0.542 213 I N 4.309 124.921 120.570 0.070 0.000 2.287 213 I HA 0.192 4.375 4.170 0.023 0.000 0.290 213 I C 0.977 177.138 176.117 0.074 0.000 1.069 213 I CA -0.321 61.009 61.300 0.051 0.000 1.237 213 I CB 0.390 38.352 38.000 -0.063 0.000 1.418 213 I HN 0.781 8.991 8.210 -0.000 0.000 0.481 214 F N 2.533 122.518 119.950 0.059 0.000 2.171 214 F HA -0.170 4.370 4.527 0.021 0.000 0.300 214 F C 1.301 177.027 175.800 -0.122 0.000 1.090 214 F CA 0.600 58.543 58.000 -0.094 0.000 1.293 214 F CB 0.140 39.000 39.000 -0.233 0.000 1.013 214 F HN 0.458 8.758 8.300 -0.000 0.000 0.486 215 D N -0.655 119.798 120.400 0.089 0.000 2.441 215 D HA 0.211 4.865 4.640 0.023 0.000 0.287 215 D C -2.096 174.199 176.300 -0.009 0.000 1.198 215 D CA -2.381 51.620 54.000 0.002 0.000 0.894 215 D CB 0.765 41.544 40.800 -0.036 0.000 1.070 215 D HN -0.152 8.218 8.370 -0.000 0.000 0.499 216 P HA -0.178 4.242 4.420 -0.000 0.000 0.217 216 P C 1.160 178.435 177.300 -0.042 0.000 1.148 216 P CA 0.926 64.002 63.100 -0.039 0.000 0.828 216 P CB 0.455 32.136 31.700 -0.032 0.000 0.783 217 E N -0.400 119.781 120.200 -0.032 0.000 2.130 217 E HA -0.176 4.188 4.350 0.023 0.000 0.196 217 E C 1.503 178.085 176.600 -0.030 0.000 0.998 217 E CA 2.227 58.610 56.400 -0.030 0.000 0.806 217 E CB -0.783 28.901 29.700 -0.027 0.000 0.738 217 E HN 0.319 8.679 8.360 -0.000 0.000 0.459 218 T N -4.046 110.490 114.554 -0.030 0.000 3.004 218 T HA 0.178 4.542 4.350 0.023 0.000 0.266 218 T C 0.916 175.595 174.700 -0.036 0.000 0.986 218 T CA -0.350 61.735 62.100 -0.026 0.000 0.902 218 T CB 0.092 68.954 68.868 -0.010 0.000 1.118 218 T HN 0.075 8.315 8.240 -0.000 0.000 0.522 219 Q N 0.833 120.603 119.800 -0.049 0.000 2.175 219 Q HA 0.383 4.736 4.340 0.023 0.000 0.225 219 Q C 0.942 176.829 176.000 -0.189 0.000 0.837 219 Q CA -0.255 55.504 55.803 -0.073 0.000 1.032 219 Q CB 0.712 29.457 28.738 0.011 0.000 1.137 219 Q HN 0.331 8.601 8.270 -0.000 0.000 0.483 220 S N 0.086 115.680 115.700 -0.177 0.000 2.603 220 S HA 0.006 4.490 4.470 0.023 0.000 0.220 220 S C 1.542 175.935 174.600 -0.345 0.000 0.967 220 S CA 0.584 58.648 58.200 -0.228 0.000 0.920 220 S CB 0.256 63.376 63.200 -0.132 0.000 0.773 220 S HN 0.596 8.906 8.310 -0.000 0.000 0.529 221 G N 1.636 110.210 108.800 -0.378 0.000 3.042 221 G HA2 0.130 4.104 3.960 0.023 0.000 0.212 221 G HA3 0.130 4.104 3.960 0.023 0.000 0.212 221 G C 0.562 174.832 174.900 -1.049 0.000 1.166 221 G CA -0.036 44.739 45.100 -0.543 0.000 0.767 221 G HN 0.536 8.826 8.290 -0.000 0.000 0.546 222 S N -0.168 115.015 115.700 -0.862 0.000 2.641 222 S HA 0.248 4.732 4.470 0.023 0.000 0.261 222 S C 1.901 175.827 174.600 -1.124 0.000 1.257 222 S CA 0.608 58.287 58.200 -0.867 0.000 0.983 222 S CB 0.813 63.655 63.200 -0.596 0.000 0.990 222 S HN 0.263 8.573 8.310 -0.000 0.000 0.572 223 T N -0.828 113.322 114.554 -0.674 0.000 2.684 223 T HA -0.137 4.227 4.350 0.023 0.000 0.267 223 T C 1.885 176.486 174.700 -0.166 0.000 1.036 223 T CA 1.720 63.609 62.100 -0.351 0.000 1.148 223 T CB -1.221 67.183 68.868 -0.774 0.000 0.863 223 T HN 0.496 8.736 8.240 -0.000 0.000 0.436 224 S N 1.239 116.647 115.700 -0.486 0.000 2.402 224 S HA 0.125 4.609 4.470 0.023 0.000 0.229 224 S C 2.408 176.848 174.600 -0.266 0.000 1.021 224 S CA 0.811 58.794 58.200 -0.362 0.000 0.974 224 S CB -0.937 61.801 63.200 -0.771 0.000 0.800 224 S HN 0.776 9.086 8.310 -0.000 0.000 0.484 225 G N 0.694 109.226 108.800 -0.447 0.000 2.418 225 G HA2 -0.185 3.789 3.960 0.023 0.000 0.217 225 G HA3 -0.185 3.789 3.960 0.023 0.000 0.217 225 G C 1.101 175.956 174.900 -0.074 0.000 1.158 225 G CA 0.524 45.436 45.100 -0.314 0.000 0.771 225 G HN 0.460 8.750 8.290 -0.000 0.000 0.545 226 W N 0.243 121.560 121.300 0.029 0.000 2.363 226 W HA 0.093 4.766 4.660 0.022 0.000 0.296 226 W C 2.506 179.131 176.519 0.176 0.000 1.212 226 W CA 0.860 58.272 57.345 0.111 0.000 1.260 226 W CB -0.823 28.760 29.460 0.205 0.000 1.131 226 W HN 0.248 8.428 8.180 -0.000 0.000 0.530 227 M N -0.228 119.678 119.600 0.511 0.000 2.175 227 M HA -0.209 4.284 4.480 0.023 0.000 0.264 227 M C 2.219 178.756 176.300 0.395 0.000 1.063 227 M CA 1.480 57.091 55.300 0.518 0.000 1.119 227 M CB -0.309 32.602 32.600 0.519 0.000 1.377 227 M HN -0.148 8.142 8.290 -0.000 0.000 0.415 228 M N 0.178 119.906 119.600 0.213 0.000 2.229 228 M HA -0.133 4.360 4.480 0.023 0.000 0.264 228 M C 2.235 178.636 176.300 0.168 0.000 1.063 228 M CA 2.224 57.598 55.300 0.122 0.000 1.114 228 M CB -0.517 32.082 32.600 -0.000 0.000 1.387 228 M HN 0.452 8.742 8.290 -0.000 0.000 0.420 229 S N -0.209 115.586 115.700 0.158 0.000 2.382 229 S HA -0.138 4.346 4.470 0.023 0.000 0.228 229 S C 1.888 176.568 174.600 0.133 0.000 1.027 229 S CA 1.343 59.619 58.200 0.126 0.000 0.991 229 S CB -1.091 62.186 63.200 0.128 0.000 0.823 229 S HN 0.543 8.853 8.310 -0.000 0.000 0.469 230 L N 0.568 121.905 121.223 0.190 0.000 2.056 230 L HA 0.197 4.551 4.340 0.023 0.000 0.207 230 L C 2.109 179.162 176.870 0.305 0.000 1.078 230 L CA 1.546 56.520 54.840 0.224 0.000 0.749 230 L CB -1.095 41.108 42.059 0.241 0.000 0.901 230 L HN 0.361 8.591 8.230 -0.000 0.000 0.433 231 F N 0.679 120.667 119.950 0.063 0.000 2.126 231 F HA -0.230 4.311 4.527 0.023 0.000 0.299 231 F C 1.968 177.735 175.800 -0.054 0.000 1.096 231 F CA 1.688 59.482 58.000 -0.343 0.000 1.255 231 F CB -0.361 38.224 39.000 -0.691 0.000 0.997 231 F HN 0.241 8.540 8.300 -0.000 0.000 0.479 232 N N 0.474 119.187 118.700 0.021 0.000 2.434 232 N HA 0.100 4.854 4.740 0.023 0.000 0.196 232 N C 1.515 176.965 175.510 -0.100 0.000 1.183 232 N CA 0.997 53.995 53.050 -0.087 0.000 0.849 232 N CB -0.129 38.365 38.487 0.011 0.000 0.992 232 N HN 0.526 8.906 8.380 -0.000 0.000 0.460 233 G N 0.580 109.351 108.800 -0.047 0.000 2.176 233 G HA2 -0.273 3.701 3.960 0.023 0.000 0.253 233 G HA3 -0.273 3.701 3.960 0.023 0.000 0.253 233 G C -0.174 174.714 174.900 -0.020 0.000 0.979 233 G CA -0.205 44.873 45.100 -0.036 0.000 0.641 233 G HN 0.438 8.728 8.290 -0.000 0.000 0.530 234 E N 0.264 120.464 120.200 0.001 0.000 2.223 234 E HA 0.446 4.810 4.350 0.023 0.000 0.282 234 E C -0.215 176.379 176.600 -0.010 0.000 1.046 234 E CA -0.351 56.045 56.400 -0.006 0.000 0.857 234 E CB 1.894 31.600 29.700 0.010 0.000 1.055 234 E HN 0.135 8.495 8.360 -0.000 0.000 0.409 235 V N 3.493 123.383 119.914 -0.039 0.000 2.350 235 V HA 0.223 4.356 4.120 0.023 0.000 0.285 235 V C -0.061 176.006 176.094 -0.046 0.000 1.014 235 V CA -0.583 61.684 62.300 -0.055 0.000 0.831 235 V CB 1.103 32.847 31.823 -0.131 0.000 1.000 235 V HN 0.710 8.900 8.190 -0.000 0.000 0.433 236 S N 4.421 120.095 115.700 -0.043 0.000 2.568 236 S HA 0.647 5.131 4.470 0.023 0.000 0.302 236 S C -2.163 172.413 174.600 -0.040 0.000 1.082 236 S CA -1.672 56.503 58.200 -0.041 0.000 1.009 236 S CB 2.348 65.523 63.200 -0.041 0.000 1.069 236 S HN 0.362 8.672 8.310 -0.000 0.000 0.500 237 P HA -0.025 4.395 4.420 -0.000 0.000 0.216 237 P C 1.564 178.838 177.300 -0.043 0.000 1.150 237 P CA 1.768 64.857 63.100 -0.018 0.000 0.837 237 P CB -0.155 31.536 31.700 -0.015 0.000 0.786 238 A N -1.024 121.746 122.820 -0.084 0.000 2.024 238 A HA -0.186 4.148 4.320 0.023 0.000 0.220 238 A C 2.099 179.578 177.584 -0.174 0.000 1.164 238 A CA 1.333 53.284 52.037 -0.143 0.000 0.643 238 A CB -1.508 17.371 19.000 -0.202 0.000 0.806 238 A HN 0.142 8.292 8.150 -0.000 0.000 0.451 239 L N -0.555 120.567 121.223 -0.167 0.000 2.044 239 L HA 0.068 4.422 4.340 0.023 0.000 0.205 239 L C 2.584 179.392 176.870 -0.104 0.000 1.075 239 L CA 1.929 56.635 54.840 -0.224 0.000 0.747 239 L CB -0.593 41.235 42.059 -0.384 0.000 0.903 239 L HN 0.303 8.533 8.230 -0.000 0.000 0.435 240 A N -1.160 121.633 122.820 -0.045 0.000 2.248 240 A HA -0.038 4.295 4.320 0.023 0.000 0.210 240 A C 1.986 179.607 177.584 0.062 0.000 1.174 240 A CA 0.721 52.789 52.037 0.053 0.000 0.750 240 A CB -0.625 18.464 19.000 0.147 0.000 0.780 240 A HN 0.402 8.552 8.150 -0.000 0.000 0.478 241 L N -0.963 120.279 121.223 0.031 0.000 2.202 241 L HA 0.185 4.538 4.340 0.023 0.000 0.205 241 L C 0.950 177.831 176.870 0.017 0.000 1.083 241 L CA 0.925 55.774 54.840 0.014 0.000 0.790 241 L CB -0.752 41.294 42.059 -0.023 0.000 0.942 241 L HN 0.445 8.675 8.230 -0.000 0.000 0.452 242 M N 2.801 122.438 119.600 0.062 0.000 2.292 242 M HA 0.109 4.602 4.480 0.023 0.000 0.342 242 M C -1.914 174.353 176.300 -0.055 0.000 1.538 242 M CA -1.174 54.149 55.300 0.039 0.000 1.163 242 M CB 0.428 33.124 32.600 0.159 0.000 1.823 242 M HN -0.062 8.228 8.290 -0.000 0.000 0.462 243 P HA 0.372 4.792 4.420 -0.000 0.000 0.277 243 P C -2.755 174.308 177.300 -0.395 0.000 1.271 243 P CA -1.597 61.382 63.100 -0.202 0.000 0.795 243 P CB -0.426 31.197 31.700 -0.129 0.000 1.101 244 P HA 0.066 4.486 4.420 -0.000 0.000 0.268 244 P C -0.125 176.864 177.300 -0.518 0.000 1.205 244 P CA 0.657 63.398 63.100 -0.599 0.000 0.771 244 P CB 0.234 31.693 31.700 -0.402 0.000 0.858 245 Q N 1.155 120.514 119.800 -0.736 0.000 2.721 245 Q HA 0.367 4.721 4.340 0.023 0.000 0.359 245 Q C -1.303 174.529 176.000 -0.279 0.000 0.707 245 Q CA -0.799 54.804 55.803 -0.334 0.000 0.900 245 Q CB 0.647 29.292 28.738 -0.155 0.000 1.200 245 Q HN 0.165 8.434 8.270 -0.000 0.000 0.504 246 Y N 0.835 121.094 120.300 -0.067 0.000 2.361 246 Y HA 0.481 5.045 4.550 0.023 0.000 0.332 246 Y C -0.464 175.575 175.900 0.232 0.000 1.101 246 Y CA -0.550 57.565 58.100 0.024 0.000 1.137 246 Y CB 1.264 39.595 38.460 -0.216 0.000 1.207 246 Y HN 0.541 8.821 8.280 -0.000 0.000 0.463 247 Y N 0.680 121.156 120.300 0.294 0.000 2.519 247 Y HA 0.818 5.382 4.550 0.023 0.000 0.324 247 Y C -1.384 174.492 175.900 -0.040 0.000 1.214 247 Y CA -1.786 56.366 58.100 0.087 0.000 1.260 247 Y CB 1.168 39.469 38.460 -0.265 0.000 1.311 247 Y HN 0.404 8.684 8.280 -0.000 0.000 0.505 248 V N 1.534 121.301 119.914 -0.246 0.000 2.924 248 V HA 0.394 4.527 4.120 0.023 0.000 0.300 248 V C -0.795 175.325 176.094 0.044 0.000 1.227 248 V CA -0.534 61.550 62.300 -0.361 0.000 0.954 248 V CB 1.877 33.533 31.823 -0.279 0.000 1.055 248 V HN 1.186 9.376 8.190 -0.000 0.000 0.429 249 S N 4.767 120.544 115.700 0.129 0.000 2.562 249 S HA 0.475 4.959 4.470 0.023 0.000 0.281 249 S C 1.477 176.100 174.600 0.037 0.000 1.333 249 S CA 0.435 58.730 58.200 0.159 0.000 1.052 249 S CB 1.448 64.769 63.200 0.203 0.000 0.884 249 S HN 1.733 10.043 8.310 -0.000 0.000 0.506 250 A N 4.859 127.620 122.820 -0.099 0.000 1.972 250 A HA -0.009 4.325 4.320 0.023 0.000 0.219 250 A C 2.122 179.550 177.584 -0.259 0.000 1.169 250 A CA 1.720 53.514 52.037 -0.405 0.000 0.635 250 A CB -0.937 17.425 19.000 -1.063 0.000 0.810 250 A HN 0.808 8.958 8.150 -0.000 0.000 0.446 251 V N 0.591 120.460 119.914 -0.074 0.000 2.295 251 V HA -0.246 3.888 4.120 0.023 0.000 0.246 251 V C 2.149 178.304 176.094 0.101 0.000 1.049 251 V CA 2.310 64.660 62.300 0.083 0.000 1.024 251 V CB -0.734 31.166 31.823 0.128 0.000 0.648 251 V HN 0.503 8.693 8.190 -0.000 0.000 0.447 252 D N -0.138 120.335 120.400 0.121 0.000 2.144 252 D HA -0.099 4.554 4.640 0.023 0.000 0.200 252 D C 2.133 178.527 176.300 0.156 0.000 0.978 252 D CA 0.976 55.072 54.000 0.160 0.000 0.833 252 D CB -0.123 40.861 40.800 0.305 0.000 0.961 252 D HN 0.256 8.626 8.370 -0.000 0.000 0.470 253 I N 1.147 121.795 120.570 0.130 0.000 2.226 253 I HA -0.145 4.039 4.170 0.023 0.000 0.245 253 I C 2.519 178.764 176.117 0.214 0.000 1.100 253 I CA 1.086 62.482 61.300 0.161 0.000 1.374 253 I CB -1.440 36.607 38.000 0.079 0.000 1.057 253 I HN -0.021 8.189 8.210 -0.000 0.000 0.413 254 G N 0.857 109.719 108.800 0.104 0.000 2.418 254 G HA2 -0.202 3.771 3.960 0.023 0.000 0.217 254 G HA3 -0.202 3.771 3.960 0.023 0.000 0.217 254 G C 1.831 176.796 174.900 0.107 0.000 1.158 254 G CA 0.406 45.560 45.100 0.090 0.000 0.771 254 G HN 0.334 8.624 8.290 -0.000 0.000 0.545 255 L N -0.035 121.244 121.223 0.093 0.000 2.083 255 L HA 0.019 4.372 4.340 0.023 0.000 0.209 255 L C 2.871 179.751 176.870 0.018 0.000 1.083 255 L CA 0.397 55.261 54.840 0.041 0.000 0.752 255 L CB -0.321 41.759 42.059 0.036 0.000 0.899 255 L HN 0.188 8.418 8.230 -0.000 0.000 0.433 256 L N -1.224 120.033 121.223 0.057 0.000 2.056 256 L HA -0.226 4.127 4.340 0.023 0.000 0.207 256 L C 2.576 179.420 176.870 -0.044 0.000 1.078 256 L CA 1.219 56.058 54.840 -0.001 0.000 0.749 256 L CB -0.714 41.354 42.059 0.015 0.000 0.901 256 L HN 0.296 8.526 8.230 -0.000 0.000 0.433 257 H N -0.787 118.256 119.070 -0.044 0.000 2.357 257 H HA -0.179 4.390 4.556 0.021 0.000 0.301 257 H C 1.877 177.142 175.328 -0.106 0.000 1.082 257 H CA 1.500 57.506 56.048 -0.069 0.000 1.342 257 H CB -0.108 29.608 29.762 -0.076 0.000 1.389 257 H HN 0.096 8.376 8.280 -0.000 0.000 0.511 258 L N 0.306 121.532 121.223 0.006 0.000 2.017 258 L HA -0.053 4.301 4.340 0.023 0.000 0.208 258 L C 2.435 179.230 176.870 -0.126 0.000 1.073 258 L CA 2.093 56.867 54.840 -0.110 0.000 0.745 258 L CB -1.051 40.915 42.059 -0.155 0.000 0.894 258 L HN 0.307 8.537 8.230 -0.000 0.000 0.432 259 G N -1.262 107.481 108.800 -0.096 0.000 2.440 259 G HA2 -0.283 3.691 3.960 0.023 0.000 0.218 259 G HA3 -0.283 3.691 3.960 0.023 0.000 0.218 259 G C 1.574 176.431 174.900 -0.070 0.000 1.154 259 G CA 1.020 46.069 45.100 -0.085 0.000 0.767 259 G HN 0.550 8.840 8.290 -0.000 0.000 0.552 260 C N 0.066 119.324 119.300 -0.070 0.000 2.419 260 C HA 0.146 4.619 4.460 0.023 0.000 0.281 260 C C 2.811 177.773 174.990 -0.048 0.000 1.336 260 C CA 0.383 59.371 59.018 -0.051 0.000 1.770 260 C CB -0.914 26.784 27.740 -0.070 0.000 1.929 260 C HN 0.415 8.645 8.230 -0.000 0.000 0.509 261 L N 0.442 121.610 121.223 -0.091 0.000 2.270 261 L HA 0.011 4.364 4.340 0.023 0.000 0.210 261 L C 2.181 178.972 176.870 -0.132 0.000 1.104 261 L CA 1.127 55.890 54.840 -0.128 0.000 0.804 261 L CB -0.172 41.760 42.059 -0.212 0.000 0.937 261 L HN 0.406 8.636 8.230 -0.000 0.000 0.450 262 V N -4.754 115.088 119.914 -0.120 0.000 3.485 262 V HA 0.269 4.402 4.120 0.023 0.000 0.280 262 V C 0.582 176.660 176.094 -0.027 0.000 1.495 262 V CA -0.361 61.891 62.300 -0.079 0.000 1.018 262 V CB 0.108 31.879 31.823 -0.086 0.000 0.818 262 V HN 0.002 8.192 8.190 -0.000 0.000 0.436 263 L N 3.323 124.528 121.223 -0.030 0.000 2.313 263 L HA 0.377 4.731 4.340 0.023 0.000 0.282 263 L C -0.828 176.043 176.870 0.001 0.000 1.092 263 L CA -1.426 53.406 54.840 -0.014 0.000 0.831 263 L CB 1.483 43.528 42.059 -0.023 0.000 1.159 263 L HN 0.079 8.309 8.230 -0.000 0.000 0.442 264 P HA -0.221 4.199 4.420 -0.000 0.000 0.218 264 P C 0.791 178.101 177.300 0.016 0.000 1.148 264 P CA 1.173 64.282 63.100 0.016 0.000 0.822 264 P CB 0.160 31.870 31.700 0.017 0.000 0.784 265 Q N -0.640 119.166 119.800 0.010 0.000 2.415 265 Q HA 0.048 4.401 4.340 0.023 0.000 0.206 265 Q C 0.274 176.280 176.000 0.009 0.000 0.946 265 Q CA 0.454 56.262 55.803 0.009 0.000 0.951 265 Q CB -0.187 28.553 28.738 0.003 0.000 1.026 265 Q HN 0.257 8.527 8.270 -0.000 0.000 0.510 266 I N 2.227 122.805 120.570 0.012 0.000 2.371 266 I HA 0.404 4.588 4.170 0.023 0.000 0.282 266 I C -0.505 175.637 176.117 0.041 0.000 1.031 266 I CA -0.428 60.882 61.300 0.017 0.000 1.180 266 I CB 0.853 38.854 38.000 0.002 0.000 1.336 266 I HN 0.079 8.289 8.210 -0.000 0.000 0.467 267 E N 4.909 125.140 120.200 0.052 0.000 2.292 267 E HA 0.428 4.791 4.350 0.023 0.000 0.272 267 E C -0.187 176.476 176.600 0.105 0.000 0.881 267 E CA -0.967 55.484 56.400 0.085 0.000 0.754 267 E CB 2.512 32.252 29.700 0.067 0.000 1.201 267 E HN 0.374 8.734 8.360 -0.000 0.000 0.425 268 R N 2.148 122.771 120.500 0.206 0.000 3.333 268 R HA -0.187 4.167 4.340 0.023 0.000 0.256 268 R C -0.926 175.414 176.300 0.067 0.000 1.010 268 R CA 0.567 56.825 56.100 0.264 0.000 0.680 268 R CB -0.671 29.697 30.300 0.114 0.000 1.102 268 R HN 0.353 8.623 8.270 -0.000 0.000 0.440 269 R N 0.746 121.342 120.500 0.161 0.000 2.732 269 R HA 0.434 4.788 4.340 0.023 0.000 0.278 269 R C -0.150 176.193 176.300 0.073 0.000 0.976 269 R CA -0.849 55.268 56.100 0.027 0.000 0.963 269 R CB 0.992 31.298 30.300 0.009 0.000 1.150 269 R HN 0.217 8.487 8.270 -0.000 0.000 0.478 270 R N 0.839 121.278 120.500 -0.101 0.000 2.272 270 R HA 0.351 4.704 4.340 0.023 0.000 0.323 270 R C -0.661 175.432 176.300 -0.345 0.000 1.002 270 R CA -0.552 55.437 56.100 -0.186 0.000 0.900 270 R CB 1.470 31.555 30.300 -0.359 0.000 1.151 270 R HN 0.203 8.473 8.270 -0.000 0.000 0.507 271 V N 5.046 124.821 119.914 -0.231 0.000 2.368 271 V HA 0.150 4.283 4.120 0.023 0.000 0.266 271 V C -0.324 175.664 176.094 -0.177 0.000 1.045 271 V CA -0.637 61.560 62.300 -0.171 0.000 0.899 271 V CB 0.029 31.799 31.823 -0.087 0.000 1.006 271 V HN 0.524 8.714 8.190 -0.000 0.000 0.470 272 Y N 2.485 122.765 120.300 -0.034 0.000 2.402 272 Y HA 0.447 5.011 4.550 0.024 0.000 0.333 272 Y C 1.212 177.054 175.900 -0.096 0.000 1.076 272 Y CA -0.203 57.814 58.100 -0.137 0.000 1.299 272 Y CB 1.014 39.342 38.460 -0.221 0.000 1.197 272 Y HN 0.652 8.932 8.280 -0.000 0.000 0.517 273 G N 2.123 110.911 108.800 -0.021 0.000 3.444 273 G HA2 0.397 4.371 3.960 0.023 0.000 0.315 273 G HA3 0.397 4.371 3.960 0.023 0.000 0.315 273 G C -0.649 173.981 174.900 -0.451 0.000 1.079 273 G CA -0.568 44.478 45.100 -0.090 0.000 1.500 273 G HN 0.634 8.924 8.290 -0.000 0.000 0.518 274 T N -1.499 112.587 114.554 -0.779 0.000 3.077 274 T HA 0.585 4.949 4.350 0.023 0.000 0.359 274 T C 0.924 174.892 174.700 -1.221 0.000 1.108 274 T CA 0.088 61.618 62.100 -0.949 0.000 1.170 274 T CB 1.494 69.510 68.868 -1.419 0.000 1.045 274 T HN 0.265 8.505 8.240 -0.000 0.000 0.505 275 A N 2.842 124.780 122.820 -1.470 0.000 1.874 275 A HA 0.756 5.090 4.320 0.023 0.000 0.214 275 A C 1.309 178.479 177.584 -0.690 0.000 1.189 275 A CA 0.790 51.770 52.037 -1.761 0.000 0.615 275 A CB -0.501 17.608 19.000 -1.486 0.000 0.830 275 A HN 1.387 9.537 8.150 -0.000 0.000 0.443 276 G N -2.147 106.395 108.800 -0.430 0.000 2.576 276 G HA2 0.473 4.447 3.960 0.023 0.000 0.290 276 G HA3 0.473 4.447 3.960 0.023 0.000 0.290 276 G C -0.459 174.273 174.900 -0.280 0.000 1.442 276 G CA 0.136 45.168 45.100 -0.114 0.000 0.792 276 G HN 0.657 8.947 8.290 -0.000 0.000 0.491 277 T N -1.776 112.483 114.554 -0.493 0.000 2.874 277 T HA 0.820 5.183 4.350 0.023 0.000 0.281 277 T C -0.284 174.370 174.700 -0.077 0.000 0.994 277 T CA -0.176 61.620 62.100 -0.507 0.000 1.015 277 T CB 1.286 69.801 68.868 -0.589 0.000 1.028 277 T HN 1.759 9.999 8.240 -0.000 0.000 0.523 278 F N -0.957 118.813 119.950 -0.301 0.000 2.773 278 F HA 0.727 5.267 4.527 0.022 0.000 0.314 278 F C -2.110 173.453 175.800 -0.395 0.000 1.160 278 F CA -1.215 56.594 58.000 -0.318 0.000 0.920 278 F CB 0.877 39.669 39.000 -0.346 0.000 1.323 278 F HN 0.824 9.124 8.300 -0.000 0.000 0.457 279 D N -0.888 119.276 120.400 -0.394 0.000 2.596 279 D HA 0.252 4.906 4.640 0.023 0.000 0.262 279 D C -0.473 175.635 176.300 -0.320 0.000 1.210 279 D CA -0.791 52.862 54.000 -0.579 0.000 0.873 279 D CB 0.808 41.387 40.800 -0.368 0.000 1.408 279 D HN 0.698 9.068 8.370 -0.000 0.000 0.441 280 W N -0.227 120.907 121.300 -0.277 0.000 2.387 280 W HA -0.064 4.609 4.660 0.022 0.000 0.272 280 W C 1.435 177.859 176.519 -0.159 0.000 1.224 280 W CA 0.261 57.412 57.345 -0.323 0.000 1.210 280 W CB -0.207 28.714 29.460 -0.898 0.000 1.125 280 W HN 0.350 8.530 8.180 -0.000 0.000 0.572 281 N N -0.533 118.223 118.700 0.093 0.000 2.300 281 N HA -0.108 4.645 4.740 0.023 0.000 0.179 281 N C 1.870 177.377 175.510 -0.004 0.000 1.016 281 N CA 2.069 55.177 53.050 0.097 0.000 0.876 281 N CB -1.035 37.505 38.487 0.087 0.000 0.979 281 N HN 0.198 8.578 8.380 -0.000 0.000 0.432 282 T N -1.709 112.814 114.554 -0.051 0.000 2.951 282 T HA 0.015 4.379 4.350 0.023 0.000 0.268 282 T C 2.085 176.680 174.700 -0.174 0.000 1.073 282 T CA 0.673 62.718 62.100 -0.092 0.000 1.134 282 T CB -0.569 68.248 68.868 -0.086 0.000 0.884 282 T HN -0.132 8.108 8.240 -0.000 0.000 0.479 283 V N 1.557 121.346 119.914 -0.207 0.000 2.307 283 V HA -0.017 4.116 4.120 0.023 0.000 0.245 283 V C 2.758 178.430 176.094 -0.703 0.000 1.045 283 V CA 1.388 63.417 62.300 -0.452 0.000 1.024 283 V CB -0.719 30.903 31.823 -0.334 0.000 0.651 283 V HN 0.429 8.619 8.190 -0.000 0.000 0.449 284 L N 0.093 121.083 121.223 -0.389 0.000 2.079 284 L HA -0.190 4.163 4.340 0.023 0.000 0.210 284 L C 2.714 179.466 176.870 -0.197 0.000 1.081 284 L CA 1.559 56.231 54.840 -0.281 0.000 0.752 284 L CB -0.758 41.317 42.059 0.027 0.000 0.896 284 L HN 0.381 8.611 8.230 -0.000 0.000 0.433 285 A N -0.544 122.198 122.820 -0.130 0.000 1.902 285 A HA -0.209 4.125 4.320 0.023 0.000 0.217 285 A C 2.354 179.899 177.584 -0.065 0.000 1.181 285 A CA 2.369 54.368 52.037 -0.064 0.000 0.623 285 A CB -0.880 18.091 19.000 -0.049 0.000 0.818 285 A HN 0.381 8.531 8.150 -0.000 0.000 0.443 286 T N -0.320 114.154 114.554 -0.134 0.000 2.777 286 T HA -0.080 4.284 4.350 0.023 0.000 0.266 286 T C 1.550 176.299 174.700 0.082 0.000 1.040 286 T CA 1.381 63.441 62.100 -0.066 0.000 1.141 286 T CB -0.393 68.390 68.868 -0.142 0.000 0.868 286 T HN 0.363 8.603 8.240 -0.000 0.000 0.444 287 F N 1.961 121.831 119.950 -0.133 0.000 2.095 287 F HA -0.029 4.511 4.527 0.022 0.000 0.298 287 F C 2.467 178.169 175.800 -0.164 0.000 1.104 287 F CA 0.806 58.657 58.000 -0.249 0.000 1.232 287 F CB -0.940 37.504 39.000 -0.926 0.000 0.987 287 F HN 0.091 8.391 8.300 -0.000 0.000 0.475 288 R N 0.050 120.563 120.500 0.022 0.000 2.096 288 R HA -0.169 4.184 4.340 0.023 0.000 0.235 288 R C 2.197 178.631 176.300 0.223 0.000 1.127 288 R CA 1.474 57.704 56.100 0.216 0.000 0.968 288 R CB -0.364 30.033 30.300 0.163 0.000 0.861 288 R HN 0.238 8.508 8.270 -0.000 0.000 0.440 289 K N 0.976 121.465 120.400 0.148 0.000 2.062 289 K HA -0.069 4.265 4.320 0.023 0.000 0.205 289 K C 1.930 178.606 176.600 0.126 0.000 1.051 289 K CA 0.990 57.345 56.287 0.113 0.000 0.941 289 K CB 0.068 32.607 32.500 0.065 0.000 0.719 289 K HN 0.103 8.353 8.250 -0.000 0.000 0.440 290 L N -0.406 120.927 121.223 0.183 0.000 2.109 290 L HA -0.092 4.261 4.340 0.023 0.000 0.207 290 L C 0.470 177.364 176.870 0.040 0.000 1.086 290 L CA 0.842 55.758 54.840 0.126 0.000 0.760 290 L CB 0.070 42.270 42.059 0.236 0.000 0.910 290 L HN 0.148 8.378 8.230 -0.000 0.000 0.437 291 Y N -0.518 119.954 120.300 0.287 0.000 2.658 291 Y HA 0.231 4.795 4.550 0.022 0.000 0.362 291 Y C -1.554 174.513 175.900 0.277 0.000 1.017 291 Y CA -1.886 56.395 58.100 0.303 0.000 1.134 291 Y CB 0.471 39.201 38.460 0.450 0.000 1.144 291 Y HN -0.071 8.209 8.280 -0.000 0.000 0.655 292 P HA -0.146 4.274 4.420 -0.000 0.000 0.221 292 P C 0.886 178.279 177.300 0.155 0.000 1.145 292 P CA 1.381 64.597 63.100 0.193 0.000 0.795 292 P CB 0.501 32.269 31.700 0.114 0.000 0.775 293 S N -1.200 114.586 115.700 0.143 0.000 2.524 293 S HA 0.051 4.535 4.470 0.023 0.000 0.216 293 S C 0.989 175.598 174.600 0.015 0.000 0.987 293 S CA 0.009 58.254 58.200 0.075 0.000 0.909 293 S CB -0.053 63.187 63.200 0.065 0.000 0.781 293 S HN 0.199 8.509 8.310 -0.000 0.000 0.521 294 K N 2.107 122.510 120.400 0.005 0.000 2.144 294 K HA 0.262 4.596 4.320 0.023 0.000 0.270 294 K C -0.716 175.610 176.600 -0.457 0.000 1.005 294 K CA -0.047 56.057 56.287 -0.304 0.000 0.932 294 K CB 0.703 32.869 32.500 -0.557 0.000 1.021 294 K HN -0.036 8.214 8.250 -0.000 0.000 0.462 295 T N 3.741 117.975 114.554 -0.533 0.000 2.806 295 T HA 0.388 4.751 4.350 0.023 0.000 0.290 295 T C -0.883 173.432 174.700 -0.642 0.000 0.966 295 T CA -0.101 61.764 62.100 -0.391 0.000 1.060 295 T CB 0.093 68.818 68.868 -0.239 0.000 0.927 295 T HN 0.274 8.514 8.240 -0.000 0.000 0.485 296 F N 2.070 121.975 119.950 -0.074 0.000 2.620 296 F HA 0.528 5.069 4.527 0.022 0.000 0.320 296 F C -1.978 173.800 175.800 -0.036 0.000 1.069 296 F CA -2.485 55.478 58.000 -0.061 0.000 0.953 296 F CB 0.555 39.574 39.000 0.031 0.000 1.322 296 F HN 0.348 8.648 8.300 -0.000 0.000 0.479 297 P HA 0.302 4.722 4.420 -0.000 0.000 0.270 297 P C -0.884 176.443 177.300 0.045 0.000 1.223 297 P CA -0.283 62.839 63.100 0.037 0.000 0.785 297 P CB 0.409 32.091 31.700 -0.030 0.000 0.923 298 A N 1.473 124.275 122.820 -0.030 0.000 2.327 298 A HA 0.193 4.526 4.320 0.023 0.000 0.255 298 A C 0.087 177.650 177.584 -0.034 0.000 1.099 298 A CA -0.324 51.706 52.037 -0.012 0.000 0.801 298 A CB -0.231 18.749 19.000 -0.033 0.000 1.062 298 A HN 0.517 8.667 8.150 -0.000 0.000 0.496 299 D N -0.412 120.005 120.400 0.028 0.000 2.419 299 D HA 0.310 4.964 4.640 0.023 0.000 0.236 299 D C -0.180 176.159 176.300 0.065 0.000 1.165 299 D CA 0.834 54.895 54.000 0.101 0.000 0.882 299 D CB 0.066 40.927 40.800 0.102 0.000 1.201 299 D HN 0.302 8.672 8.370 -0.000 0.000 0.443 300 F N 0.916 120.891 119.950 0.041 0.000 2.378 300 F HA 0.283 4.824 4.527 0.023 0.000 0.319 300 F C -1.289 174.529 175.800 0.030 0.000 1.155 300 F CA -1.601 56.422 58.000 0.038 0.000 1.157 300 F CB 0.133 39.178 39.000 0.075 0.000 1.252 300 F HN 0.157 8.457 8.300 -0.000 0.000 0.550 301 P HA -0.008 4.412 4.420 -0.000 0.000 0.272 301 P C -1.230 176.143 177.300 0.123 0.000 1.230 301 P CA -0.276 62.898 63.100 0.125 0.000 0.788 301 P CB 0.399 32.156 31.700 0.096 0.000 0.949 302 D N 0.992 121.435 120.400 0.070 0.000 2.487 302 D HA -0.084 4.570 4.640 0.023 0.000 0.243 302 D C 0.266 176.583 176.300 0.029 0.000 1.154 302 D CA 0.824 54.849 54.000 0.041 0.000 0.876 302 D CB 0.402 41.214 40.800 0.020 0.000 1.161 302 D HN 0.263 8.633 8.370 -0.000 0.000 0.478 303 Q N 2.413 122.214 119.800 0.002 0.000 2.247 303 Q HA 0.313 4.667 4.340 0.023 0.000 0.204 303 Q C 1.042 177.008 176.000 -0.056 0.000 0.872 303 Q CA -0.044 55.744 55.803 -0.025 0.000 0.951 303 Q CB 0.773 29.475 28.738 -0.060 0.000 1.099 303 Q HN 0.764 9.034 8.270 -0.000 0.000 0.501 304 G N 2.153 110.923 108.800 -0.051 0.000 2.632 304 G HA2 -0.266 3.707 3.960 0.023 0.000 0.224 304 G HA3 -0.266 3.707 3.960 0.023 0.000 0.224 304 G C -0.777 174.066 174.900 -0.097 0.000 1.341 304 G CA -0.210 44.854 45.100 -0.060 0.000 0.880 304 G HN 0.330 8.620 8.290 -0.000 0.000 0.566 305 Q N -0.975 118.765 119.800 -0.099 0.000 2.462 305 Q HA 0.625 4.978 4.340 0.023 0.000 0.285 305 Q C -1.623 174.302 176.000 -0.127 0.000 1.035 305 Q CA -0.902 54.820 55.803 -0.135 0.000 0.799 305 Q CB 2.250 30.919 28.738 -0.114 0.000 1.452 305 Q HN 0.536 8.806 8.270 -0.000 0.000 0.404 306 D N 1.638 121.938 120.400 -0.166 0.000 2.325 306 D HA 0.207 4.860 4.640 0.023 0.000 0.251 306 D C -0.014 176.246 176.300 -0.066 0.000 1.196 306 D CA -0.081 53.851 54.000 -0.114 0.000 0.866 306 D CB 0.947 41.658 40.800 -0.149 0.000 1.101 306 D HN 0.655 9.025 8.370 -0.000 0.000 0.476 307 L N 2.562 123.772 121.223 -0.023 0.000 2.728 307 L HA 0.086 4.439 4.340 0.023 0.000 0.238 307 L C 1.108 177.995 176.870 0.028 0.000 1.143 307 L CA -0.237 54.601 54.840 -0.004 0.000 0.937 307 L CB 0.017 42.067 42.059 -0.015 0.000 1.225 307 L HN 0.271 8.501 8.230 -0.000 0.000 0.507 308 S N 0.110 115.842 115.700 0.054 0.000 2.603 308 S HA 0.416 4.900 4.470 0.023 0.000 0.268 308 S C -0.068 174.576 174.600 0.073 0.000 1.317 308 S CA -0.567 57.630 58.200 -0.005 0.000 1.012 308 S CB 1.593 64.719 63.200 -0.124 0.000 0.926 308 S HN 0.002 8.312 8.310 -0.000 0.000 0.539 309 K N 0.800 121.157 120.400 -0.072 0.000 2.426 309 K HA 0.543 4.876 4.320 0.023 0.000 0.251 309 K C -1.596 174.843 176.600 -0.268 0.000 0.941 309 K CA -0.296 56.014 56.287 0.038 0.000 0.808 309 K CB 1.623 34.233 32.500 0.184 0.000 1.265 309 K HN 0.698 8.948 8.250 -0.000 0.000 0.432 310 F N 0.395 120.208 119.950 -0.229 0.000 2.508 310 F HA 0.155 4.696 4.527 0.022 0.000 0.325 310 F C 0.665 176.369 175.800 -0.160 0.000 1.090 310 F CA -0.838 56.879 58.000 -0.471 0.000 0.945 310 F CB 1.464 40.003 39.000 -0.767 0.000 1.156 310 F HN 0.365 8.665 8.300 -0.000 0.000 0.463 311 D N 1.466 121.854 120.400 -0.020 0.000 2.383 311 D HA 0.060 4.713 4.640 0.023 0.000 0.245 311 D C 0.772 177.240 176.300 0.279 0.000 1.263 311 D CA 0.045 54.148 54.000 0.172 0.000 0.936 311 D CB 0.559 41.406 40.800 0.079 0.000 1.053 311 D HN 0.607 8.977 8.370 -0.000 0.000 0.507 312 T N 0.738 115.452 114.554 0.267 0.000 3.206 312 T HA 0.373 4.736 4.350 0.023 0.000 0.253 312 T C 1.665 176.480 174.700 0.192 0.000 1.042 312 T CA 0.089 62.365 62.100 0.293 0.000 0.931 312 T CB 0.452 69.568 68.868 0.415 0.000 1.029 312 T HN 0.224 8.464 8.240 -0.000 0.000 0.564 313 A N 3.757 126.663 122.820 0.145 0.000 1.859 313 A HA -0.011 4.322 4.320 0.023 0.000 0.217 313 A C 0.615 178.222 177.584 0.037 0.000 1.198 313 A CA 1.503 53.589 52.037 0.081 0.000 0.629 313 A CB -1.598 17.447 19.000 0.074 0.000 0.830 313 A HN 0.547 8.697 8.150 -0.000 0.000 0.446 314 P HA -0.094 4.326 4.420 -0.000 0.000 0.218 314 P C 1.512 178.797 177.300 -0.024 0.000 1.149 314 P CA 1.806 64.905 63.100 -0.002 0.000 0.817 314 P CB -0.219 31.476 31.700 -0.009 0.000 0.785 315 S N 0.735 116.436 115.700 0.003 0.000 2.348 315 S HA -0.094 4.390 4.470 0.023 0.000 0.221 315 S C 2.136 176.600 174.600 -0.226 0.000 1.033 315 S CA 1.162 59.330 58.200 -0.054 0.000 1.010 315 S CB -1.215 62.070 63.200 0.142 0.000 0.891 315 S HN 0.142 8.452 8.310 -0.000 0.000 0.442 316 L N 1.224 122.328 121.223 -0.198 0.000 2.083 316 L HA -0.127 4.227 4.340 0.023 0.000 0.209 316 L C 2.581 179.352 176.870 -0.165 0.000 1.083 316 L CA 1.217 55.902 54.840 -0.258 0.000 0.752 316 L CB -0.622 41.353 42.059 -0.140 0.000 0.899 316 L HN 0.350 8.580 8.230 -0.000 0.000 0.433 317 E N 0.414 120.556 120.200 -0.096 0.000 2.051 317 E HA -0.218 4.145 4.350 0.023 0.000 0.192 317 E C 2.276 178.828 176.600 -0.079 0.000 0.991 317 E CA 1.266 57.627 56.400 -0.067 0.000 0.799 317 E CB -0.089 29.588 29.700 -0.037 0.000 0.748 317 E HN 0.450 8.810 8.360 -0.000 0.000 0.449 318 I N 0.927 121.441 120.570 -0.093 0.000 2.142 318 I HA -0.298 3.886 4.170 0.023 0.000 0.240 318 I C 2.332 178.385 176.117 -0.107 0.000 1.078 318 I CA 1.046 62.292 61.300 -0.090 0.000 1.343 318 I CB -0.257 37.689 38.000 -0.090 0.000 1.046 318 I HN 0.118 8.328 8.210 -0.000 0.000 0.405 319 L N 0.569 121.692 121.223 -0.167 0.000 2.042 319 L HA -0.268 4.086 4.340 0.023 0.000 0.210 319 L C 2.637 179.439 176.870 -0.113 0.000 1.076 319 L CA 1.593 56.330 54.840 -0.171 0.000 0.749 319 L CB -0.647 41.225 42.059 -0.312 0.000 0.893 319 L HN 0.256 8.486 8.230 -0.000 0.000 0.432 320 K N -0.162 120.172 120.400 -0.110 0.000 2.057 320 K HA -0.128 4.205 4.320 0.023 0.000 0.206 320 K C 2.248 178.824 176.600 -0.040 0.000 1.050 320 K CA 1.482 57.729 56.287 -0.068 0.000 0.935 320 K CB 0.054 32.516 32.500 -0.063 0.000 0.715 320 K HN 0.104 8.354 8.250 -0.000 0.000 0.439 321 S N 1.130 116.805 115.700 -0.042 0.000 2.399 321 S HA -0.057 4.427 4.470 0.023 0.000 0.231 321 S C 1.537 176.129 174.600 -0.012 0.000 1.022 321 S CA 0.938 59.123 58.200 -0.024 0.000 0.983 321 S CB -0.083 63.101 63.200 -0.027 0.000 0.803 321 S HN 0.297 8.607 8.310 -0.000 0.000 0.480 322 L N 0.674 121.885 121.223 -0.020 0.000 2.591 322 L HA 0.201 4.555 4.340 0.023 0.000 0.228 322 L C 1.551 178.446 176.870 0.042 0.000 1.133 322 L CA 0.290 55.134 54.840 0.006 0.000 0.880 322 L CB -0.565 41.480 42.059 -0.024 0.000 1.033 322 L HN 0.477 8.707 8.230 -0.000 0.000 0.450 323 G N 0.912 109.723 108.800 0.019 0.000 2.147 323 G HA2 -0.266 3.708 3.960 0.023 0.000 0.244 323 G HA3 -0.266 3.708 3.960 0.023 0.000 0.244 323 G C 0.383 175.297 174.900 0.023 0.000 1.005 323 G CA -0.192 44.923 45.100 0.025 0.000 0.713 323 G HN 0.317 8.607 8.290 -0.000 0.000 0.515 324 R N 0.083 120.587 120.500 0.006 0.000 2.795 324 R HA 0.241 4.595 4.340 0.023 0.000 0.320 324 R C -2.527 173.748 176.300 -0.041 0.000 1.223 324 R CA -1.270 54.832 56.100 0.004 0.000 1.305 324 R CB 0.956 31.273 30.300 0.028 0.000 1.318 324 R HN 0.409 8.679 8.270 -0.000 0.000 0.636 325 P HA 0.061 4.481 4.420 -0.000 0.000 0.267 325 P C 0.468 177.711 177.300 -0.095 0.000 1.201 325 P CA 0.855 63.904 63.100 -0.086 0.000 0.775 325 P CB 0.775 32.444 31.700 -0.051 0.000 0.854 326 G N 1.591 110.285 108.800 -0.175 0.000 2.755 326 G HA2 -0.178 3.796 3.960 0.023 0.000 0.686 326 G HA3 -0.178 3.796 3.960 0.023 0.000 0.686 326 G C -1.223 173.586 174.900 -0.152 0.000 1.427 326 G CA -0.757 44.254 45.100 -0.150 0.000 0.873 326 G HN 0.455 8.745 8.290 -0.000 0.000 0.580 327 W N 1.043 122.372 121.300 0.048 0.000 2.315 327 W HA 0.591 5.264 4.660 0.021 0.000 0.316 327 W C 1.222 177.795 176.519 0.090 0.000 1.211 327 W CA -0.744 56.631 57.345 0.050 0.000 1.201 327 W CB 0.780 30.256 29.460 0.027 0.000 1.184 327 W HN 0.727 8.907 8.180 -0.000 0.000 0.544 328 R N 2.508 123.226 120.500 0.363 0.000 2.537 328 R HA 0.106 4.460 4.340 0.023 0.000 0.280 328 R C 0.660 177.161 176.300 0.334 0.000 1.058 328 R CA -0.109 56.153 56.100 0.269 0.000 1.057 328 R CB 0.559 30.992 30.300 0.222 0.000 0.973 328 R HN 0.644 8.914 8.270 -0.000 0.000 0.438 329 S N 3.674 119.513 115.700 0.231 0.000 2.589 329 S HA -0.026 4.458 4.470 0.023 0.000 0.265 329 S C 1.417 176.037 174.600 0.034 0.000 1.342 329 S CA -0.597 57.712 58.200 0.183 0.000 1.005 329 S CB 0.752 64.004 63.200 0.087 0.000 0.909 329 S HN 0.796 9.106 8.310 -0.000 0.000 0.555 330 I N 0.415 120.820 120.570 -0.275 0.000 2.394 330 I HA -0.129 4.054 4.170 0.023 0.000 0.251 330 I C 2.568 178.488 176.117 -0.329 0.000 1.136 330 I CA 1.657 62.517 61.300 -0.734 0.000 1.425 330 I CB -0.280 37.093 38.000 -1.046 0.000 1.079 330 I HN 1.019 9.229 8.210 -0.000 0.000 0.425 331 E N 0.545 120.642 120.200 -0.171 0.000 2.072 331 E HA -0.248 4.115 4.350 0.023 0.000 0.191 331 E C 1.964 178.544 176.600 -0.033 0.000 0.985 331 E CA 1.117 57.466 56.400 -0.085 0.000 0.801 331 E CB 0.041 29.716 29.700 -0.041 0.000 0.750 331 E HN 0.413 8.773 8.360 -0.000 0.000 0.452 332 E N 0.286 120.482 120.200 -0.006 0.000 2.106 332 E HA -0.097 4.266 4.350 0.023 0.000 0.192 332 E C 2.251 178.874 176.600 0.037 0.000 0.984 332 E CA 0.892 57.311 56.400 0.031 0.000 0.806 332 E CB -0.083 29.652 29.700 0.059 0.000 0.750 332 E HN 0.172 8.532 8.360 -0.000 0.000 0.458 333 S N 0.990 116.703 115.700 0.022 0.000 2.368 333 S HA -0.059 4.424 4.470 0.023 0.000 0.224 333 S C 2.140 176.748 174.600 0.014 0.000 1.029 333 S CA 0.698 58.922 58.200 0.040 0.000 0.988 333 S CB -0.142 63.098 63.200 0.068 0.000 0.838 333 S HN 0.209 8.519 8.310 -0.000 0.000 0.462 334 I N 1.351 121.901 120.570 -0.033 0.000 2.394 334 I HA -0.159 4.025 4.170 0.023 0.000 0.251 334 I C 2.490 178.639 176.117 0.052 0.000 1.136 334 I CA 1.021 62.331 61.300 0.017 0.000 1.425 334 I CB -0.217 37.785 38.000 0.005 0.000 1.079 334 I HN 0.246 8.456 8.210 -0.000 0.000 0.425 335 K N 0.976 121.403 120.400 0.044 0.000 2.097 335 K HA -0.217 4.116 4.320 0.023 0.000 0.206 335 K C 1.575 178.202 176.600 0.045 0.000 1.049 335 K CA 1.654 57.971 56.287 0.051 0.000 0.933 335 K CB 0.018 32.543 32.500 0.041 0.000 0.717 335 K HN 0.221 8.471 8.250 -0.000 0.000 0.442 336 D N 0.791 121.222 120.400 0.053 0.000 2.144 336 D HA -0.167 4.486 4.640 0.023 0.000 0.199 336 D C 1.815 178.148 176.300 0.055 0.000 0.984 336 D CA 0.824 54.867 54.000 0.071 0.000 0.834 336 D CB -0.026 40.827 40.800 0.089 0.000 0.955 336 D HN 0.193 8.563 8.370 -0.000 0.000 0.465 337 L N 0.569 121.808 121.223 0.027 0.000 2.049 337 L HA -0.071 4.282 4.340 0.023 0.000 0.203 337 L C 2.067 178.869 176.870 -0.113 0.000 1.074 337 L CA 1.279 56.109 54.840 -0.018 0.000 0.749 337 L CB -0.328 41.727 42.059 -0.006 0.000 0.907 337 L HN 0.026 8.256 8.230 -0.000 0.000 0.439 338 V N -2.637 117.167 119.914 -0.182 0.000 3.660 338 V HA 0.596 4.729 4.120 0.023 0.000 0.276 338 V C 1.167 177.185 176.094 -0.127 0.000 1.317 338 V CA 0.223 62.258 62.300 -0.442 0.000 1.097 338 V CB -0.986 30.201 31.823 -1.059 0.000 0.863 338 V HN 0.712 8.902 8.190 -0.000 0.000 0.438 339 G N 1.347 110.156 108.800 0.016 0.000 2.553 339 G HA2 -0.032 3.942 3.960 0.023 0.000 0.242 339 G HA3 -0.032 3.942 3.960 0.023 0.000 0.242 339 G C -0.082 174.876 174.900 0.096 0.000 1.277 339 G CA 0.507 45.656 45.100 0.083 0.000 0.910 339 G HN 2.109 10.399 8.290 -0.000 0.000 0.576 340 S N -1.550 114.101 115.700 -0.082 0.000 2.570 340 S HA 0.615 5.099 4.470 0.023 0.000 0.270 340 S C -0.672 173.500 174.600 -0.714 0.000 1.149 340 S CA 0.388 58.300 58.200 -0.481 0.000 0.837 340 S CB 2.146 65.219 63.200 -0.211 0.000 1.124 340 S HN 1.255 9.565 8.310 -0.000 0.000 0.465 341 E N 0.982 120.591 120.200 -0.986 0.000 1.985 341 E HA 0.382 4.746 4.350 0.023 0.000 0.268 341 E C -0.511 175.967 176.600 -0.203 0.000 1.219 341 E CA 0.207 56.309 56.400 -0.497 0.000 0.942 341 E CB 0.010 29.527 29.700 -0.304 0.000 1.045 341 E HN 0.618 8.978 8.360 -0.000 0.000 0.413 342 T N 1.785 116.270 114.554 -0.114 0.000 2.792 342 T HA 0.783 5.146 4.350 0.023 0.000 0.303 342 T C -1.780 172.910 174.700 -0.018 0.000 1.310 342 T CA 0.124 62.191 62.100 -0.056 0.000 1.007 342 T CB 1.564 70.398 68.868 -0.056 0.000 1.335 342 T HN 0.504 8.744 8.240 -0.000 0.000 0.504 343 A N 0.000 122.815 122.820 -0.009 0.000 2.254 343 A HA 0.000 4.334 4.320 0.023 0.000 0.244 343 A CA 0.000 52.038 52.037 0.002 0.000 0.836 343 A CB 0.000 19.005 19.000 0.008 0.000 0.831 343 A HN 0.000 8.150 8.150 -0.000 0.000 0.486