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 3prh_1_B DATA FIRST_RESID 2 DATA SEQUENCE KQTIFSGIQP SGSVTLGNYI GAMKQFVELQ HDYNSYFCIV DQHAITVPQD DATA SEQUENCE RLELRKNIRN LAALYLAVGL DPEKATLFIQ SEVPAHAQAG WMMQCVAYIG DATA SEQUENCE ELERMXXXXX XXXXXXXXVS GLLTYPPLMA ADILLYGTDL VPPGEDQKQH DATA SEQUENCE LELTRNLAER FNKKYNDIFT IPEVKIXXXX ARIMSLNDPL KKMSKSDPNQ DATA SEQUENCE KAYITLLDEP KQLEKKIKSA VTDSEGIVKF DKENKPGVSN LLTIYSILGN DATA SEQUENCE TTIEELEAKY EGKGYGEFKG DLAEVVVNAL KPIQDRYYEL IESEELDRIL DATA SEQUENCE DEGAERANRT ANKMLKKMEN AMGLGR 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 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2 K C 0.000 176.630 176.600 0.050 0.000 0.988 2 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 2 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 3 Q N 0.853 120.697 119.800 0.074 0.000 2.479 3 Q HA 0.040 4.366 4.340 -0.024 0.000 0.267 3 Q C 0.057 176.231 176.000 0.289 0.000 1.071 3 Q CA 0.688 56.615 55.803 0.206 0.000 0.935 3 Q CB 0.925 29.858 28.738 0.327 0.000 1.295 3 Q HN 0.419 8.689 8.270 -0.000 0.000 0.476 4 T N 1.497 116.204 114.554 0.256 0.000 2.829 4 T HA 0.645 4.981 4.350 -0.024 0.000 0.280 4 T C -0.883 173.950 174.700 0.222 0.000 0.999 4 T CA -0.647 61.608 62.100 0.259 0.000 0.983 4 T CB 0.505 69.531 68.868 0.265 0.000 0.968 4 T HN 0.404 8.644 8.240 -0.000 0.000 0.446 5 I N 4.411 125.098 120.570 0.195 0.000 2.509 5 I HA 0.505 4.661 4.170 -0.024 0.000 0.293 5 I C -1.135 175.048 176.117 0.109 0.000 1.020 5 I CA -1.054 60.303 61.300 0.095 0.000 1.088 5 I CB 2.005 39.993 38.000 -0.020 0.000 1.267 5 I HN 0.594 8.804 8.210 -0.000 0.000 0.430 6 F N 5.415 125.309 119.950 -0.093 0.000 2.449 6 F HA 0.481 4.996 4.527 -0.020 0.000 0.342 6 F C -0.094 175.546 175.800 -0.267 0.000 1.127 6 F CA -0.415 57.494 58.000 -0.152 0.000 0.975 6 F CB 1.464 40.406 39.000 -0.096 0.000 1.146 6 F HN 0.446 8.746 8.300 -0.000 0.000 0.444 7 S N 4.000 119.189 115.700 -0.853 0.000 2.474 7 S HA 0.690 5.146 4.470 -0.024 0.000 0.321 7 S C -0.110 174.001 174.600 -0.814 0.000 1.080 7 S CA -0.669 57.097 58.200 -0.722 0.000 1.106 7 S CB 1.231 63.993 63.200 -0.730 0.000 0.984 7 S HN 1.004 9.314 8.310 -0.000 0.000 0.464 8 G N 3.143 111.671 108.800 -0.453 0.000 2.338 8 G HA2 0.556 4.501 3.960 -0.024 0.000 0.295 8 G HA3 0.556 4.501 3.960 -0.024 0.000 0.295 8 G C -0.051 174.739 174.900 -0.184 0.000 1.132 8 G CA -0.979 43.966 45.100 -0.258 0.000 0.922 8 G HN 1.015 9.305 8.290 -0.000 0.000 0.427 9 I N -0.087 120.363 120.570 -0.201 0.000 2.411 9 I HA 0.395 4.550 4.170 -0.024 0.000 0.284 9 I C -0.289 175.784 176.117 -0.072 0.000 1.012 9 I CA -1.025 60.203 61.300 -0.120 0.000 1.119 9 I CB 1.782 39.675 38.000 -0.179 0.000 1.261 9 I HN 0.171 8.381 8.210 -0.000 0.000 0.448 10 Q N 7.262 127.052 119.800 -0.017 0.000 2.297 10 Q HA 0.271 4.597 4.340 -0.024 0.000 0.267 10 Q C -2.203 173.783 176.000 -0.023 0.000 1.006 10 Q CA -1.384 54.410 55.803 -0.015 0.000 0.896 10 Q CB 1.529 30.266 28.738 -0.003 0.000 1.186 10 Q HN 0.486 8.756 8.270 -0.000 0.000 0.392 11 P HA 0.035 4.455 4.420 -0.000 0.000 0.268 11 P C -0.297 176.984 177.300 -0.033 0.000 1.541 11 P CA 0.041 63.125 63.100 -0.026 0.000 1.093 11 P CB 0.085 31.764 31.700 -0.035 0.000 1.551 12 S N 1.469 117.154 115.700 -0.024 0.000 2.754 12 S HA 0.493 4.948 4.470 -0.024 0.000 0.247 12 S C 1.200 175.779 174.600 -0.035 0.000 1.031 12 S CA 0.184 58.361 58.200 -0.038 0.000 1.014 12 S CB -0.058 63.116 63.200 -0.043 0.000 0.918 12 S HN 0.511 8.821 8.310 -0.000 0.000 0.519 13 G N 1.255 110.043 108.800 -0.021 0.000 2.850 13 G HA2 -0.129 3.816 3.960 -0.024 0.000 0.207 13 G HA3 -0.129 3.816 3.960 -0.024 0.000 0.207 13 G C 0.055 174.943 174.900 -0.020 0.000 1.302 13 G CA 0.200 45.289 45.100 -0.019 0.000 0.832 13 G HN 1.991 10.281 8.290 -0.000 0.000 0.543 14 S N -1.035 114.641 115.700 -0.041 0.000 2.556 14 S HA 0.603 5.059 4.470 -0.024 0.000 0.280 14 S C -1.065 173.490 174.600 -0.074 0.000 1.141 14 S CA 0.080 58.246 58.200 -0.056 0.000 0.883 14 S CB 1.831 64.996 63.200 -0.059 0.000 1.103 14 S HN 1.428 9.738 8.310 -0.000 0.000 0.453 15 V N 3.482 123.353 119.914 -0.071 0.000 2.407 15 V HA 0.611 4.717 4.120 -0.024 0.000 0.278 15 V C 1.132 177.192 176.094 -0.057 0.000 1.037 15 V CA -0.075 62.191 62.300 -0.057 0.000 0.900 15 V CB 1.102 32.892 31.823 -0.054 0.000 0.983 15 V HN 1.098 9.288 8.190 -0.000 0.000 0.459 16 T N 2.240 116.766 114.554 -0.047 0.000 2.868 16 T HA 0.292 4.627 4.350 -0.024 0.000 0.292 16 T C 1.069 175.799 174.700 0.050 0.000 1.028 16 T CA -0.448 61.648 62.100 -0.008 0.000 1.059 16 T CB 1.074 69.922 68.868 -0.034 0.000 0.991 16 T HN 0.342 8.582 8.240 -0.000 0.000 0.531 17 L N 2.771 124.039 121.223 0.075 0.000 2.043 17 L HA 0.074 4.400 4.340 -0.024 0.000 0.212 17 L C 2.661 179.615 176.870 0.141 0.000 1.075 17 L CA 2.636 57.552 54.840 0.127 0.000 0.752 17 L CB -1.343 40.775 42.059 0.097 0.000 0.891 17 L HN 1.021 9.251 8.230 -0.000 0.000 0.432 18 G N -1.225 107.629 108.800 0.091 0.000 2.469 18 G HA2 -0.355 3.591 3.960 -0.024 0.000 0.219 18 G HA3 -0.355 3.591 3.960 -0.024 0.000 0.219 18 G C 1.368 176.304 174.900 0.059 0.000 1.150 18 G CA 1.290 46.431 45.100 0.068 0.000 0.763 18 G HN 0.585 8.875 8.290 -0.000 0.000 0.561 19 N N -1.187 117.552 118.700 0.065 0.000 2.376 19 N HA -0.005 4.721 4.740 -0.024 0.000 0.177 19 N C 1.772 177.335 175.510 0.089 0.000 1.024 19 N CA 0.468 53.556 53.050 0.062 0.000 0.893 19 N CB -0.208 38.306 38.487 0.045 0.000 0.980 19 N HN 0.396 8.776 8.380 -0.000 0.000 0.439 20 Y N 1.632 121.917 120.300 -0.025 0.000 2.165 20 Y HA -0.085 4.451 4.550 -0.024 0.000 0.286 20 Y C 1.640 177.533 175.900 -0.012 0.000 1.155 20 Y CA 1.326 59.398 58.100 -0.048 0.000 1.164 20 Y CB -0.248 38.169 38.460 -0.072 0.000 0.978 20 Y HN 0.023 8.303 8.280 -0.000 0.000 0.513 21 I N -0.259 120.192 120.570 -0.198 0.000 2.500 21 I HA -0.110 4.045 4.170 -0.024 0.000 0.252 21 I C 2.591 178.632 176.117 -0.127 0.000 1.142 21 I CA 0.948 62.091 61.300 -0.260 0.000 1.451 21 I CB -0.882 37.060 38.000 -0.098 0.000 1.093 21 I HN 0.346 8.556 8.210 -0.000 0.000 0.430 22 G N 0.647 109.428 108.800 -0.032 0.000 2.524 22 G HA2 -0.176 3.770 3.960 -0.024 0.000 0.215 22 G HA3 -0.176 3.770 3.960 -0.024 0.000 0.215 22 G C 1.665 176.610 174.900 0.075 0.000 1.239 22 G CA 1.032 46.148 45.100 0.025 0.000 0.798 22 G HN 0.466 8.756 8.290 -0.000 0.000 0.557 23 A N -0.702 122.190 122.820 0.121 0.000 1.944 23 A HA 0.432 4.738 4.320 -0.024 0.000 0.209 23 A C 2.361 180.120 177.584 0.292 0.000 1.328 23 A CA 1.153 53.359 52.037 0.282 0.000 0.693 23 A CB -0.326 18.796 19.000 0.203 0.000 0.994 23 A HN 0.283 8.433 8.150 -0.000 0.000 0.485 24 M N -0.101 119.589 119.600 0.151 0.000 2.088 24 M HA -0.243 4.222 4.480 -0.024 0.000 0.256 24 M C 2.232 178.571 176.300 0.064 0.000 1.071 24 M CA 2.356 57.724 55.300 0.114 0.000 1.097 24 M CB -0.177 32.438 32.600 0.023 0.000 1.315 24 M HN 0.454 8.744 8.290 -0.000 0.000 0.406 25 K N -0.554 119.741 120.400 -0.176 0.000 2.057 25 K HA -0.241 4.065 4.320 -0.024 0.000 0.206 25 K C 2.050 178.598 176.600 -0.086 0.000 1.050 25 K CA 1.743 57.887 56.287 -0.239 0.000 0.935 25 K CB -0.165 31.972 32.500 -0.604 0.000 0.715 25 K HN 0.437 8.687 8.250 -0.000 0.000 0.439 26 Q N -0.597 119.156 119.800 -0.079 0.000 2.050 26 Q HA -0.167 4.159 4.340 -0.024 0.000 0.202 26 Q C 1.640 177.508 176.000 -0.220 0.000 0.980 26 Q CA 1.832 57.530 55.803 -0.175 0.000 0.840 26 Q CB -0.025 28.556 28.738 -0.260 0.000 0.898 26 Q HN 0.296 8.566 8.270 -0.000 0.000 0.424 27 F N -1.089 118.915 119.950 0.091 0.000 2.473 27 F HA -0.027 4.485 4.527 -0.025 0.000 0.294 27 F C 2.012 177.998 175.800 0.310 0.000 1.103 27 F CA 0.177 58.282 58.000 0.176 0.000 1.442 27 F CB 0.196 39.325 39.000 0.214 0.000 1.097 27 F HN -0.075 8.225 8.300 -0.000 0.000 0.547 28 V N -0.112 120.026 119.914 0.372 0.000 2.515 28 V HA -0.254 3.852 4.120 -0.024 0.000 0.250 28 V C 1.951 178.130 176.094 0.142 0.000 1.058 28 V CA 1.843 64.265 62.300 0.203 0.000 1.064 28 V CB -0.492 31.364 31.823 0.054 0.000 0.675 28 V HN 0.303 8.493 8.190 -0.000 0.000 0.461 29 E N -0.088 120.178 120.200 0.110 0.000 2.216 29 E HA -0.040 4.296 4.350 -0.024 0.000 0.192 29 E C 1.819 178.497 176.600 0.130 0.000 0.988 29 E CA 0.543 57.003 56.400 0.099 0.000 0.834 29 E CB -0.066 29.667 29.700 0.055 0.000 0.772 29 E HN 0.524 8.884 8.360 -0.000 0.000 0.479 30 L N 1.783 123.085 121.223 0.132 0.000 2.650 30 L HA -0.081 4.244 4.340 -0.024 0.000 0.235 30 L C 2.342 179.347 176.870 0.225 0.000 1.149 30 L CA 0.254 55.215 54.840 0.203 0.000 0.887 30 L CB -0.418 41.716 42.059 0.125 0.000 1.021 30 L HN 0.195 8.425 8.230 -0.000 0.000 0.441 31 Q N -0.676 119.190 119.800 0.109 0.000 2.291 31 Q HA -0.197 4.129 4.340 -0.024 0.000 0.205 31 Q C 1.300 177.216 176.000 -0.140 0.000 0.970 31 Q CA 1.280 57.075 55.803 -0.014 0.000 0.876 31 Q CB -0.192 28.470 28.738 -0.126 0.000 0.935 31 Q HN 0.599 8.869 8.270 -0.000 0.000 0.455 32 H N 0.138 119.278 119.070 0.116 0.000 2.582 32 H HA 0.115 4.656 4.556 -0.024 0.000 0.269 32 H C 0.763 176.113 175.328 0.038 0.000 0.962 32 H CA 0.657 56.744 56.048 0.066 0.000 1.230 32 H CB 0.584 30.373 29.762 0.045 0.000 1.445 32 H HN 0.378 8.658 8.280 -0.000 0.000 0.528 33 D N -0.128 120.359 120.400 0.146 0.000 2.301 33 D HA 0.012 4.637 4.640 -0.024 0.000 0.206 33 D C -0.092 176.063 176.300 -0.242 0.000 0.979 33 D CA 0.634 54.608 54.000 -0.043 0.000 0.874 33 D CB 0.485 41.255 40.800 -0.051 0.000 0.968 33 D HN 0.231 8.601 8.370 -0.000 0.000 0.510 34 Y N 0.117 120.453 120.300 0.060 0.000 2.524 34 Y HA 0.286 4.820 4.550 -0.026 0.000 0.344 34 Y C 0.323 176.246 175.900 0.039 0.000 1.012 34 Y CA -1.317 56.817 58.100 0.057 0.000 1.068 34 Y CB 1.081 39.582 38.460 0.070 0.000 1.249 34 Y HN -0.340 7.940 8.280 -0.000 0.000 0.468 35 N N 1.269 120.091 118.700 0.204 0.000 2.401 35 N HA 0.237 4.962 4.740 -0.024 0.000 0.255 35 N C -1.510 174.049 175.510 0.082 0.000 1.110 35 N CA 0.158 53.267 53.050 0.099 0.000 0.949 35 N CB 0.440 38.991 38.487 0.107 0.000 1.110 35 N HN 0.549 8.929 8.380 -0.000 0.000 0.490 36 S N 2.876 118.545 115.700 -0.052 0.000 2.532 36 S HA 0.451 4.907 4.470 -0.024 0.000 0.299 36 S C -1.269 173.164 174.600 -0.280 0.000 1.105 36 S CA -0.495 57.650 58.200 -0.093 0.000 1.018 36 S CB 0.715 63.936 63.200 0.034 0.000 1.021 36 S HN 0.424 8.734 8.310 -0.000 0.000 0.483 37 Y N 1.310 121.444 120.300 -0.277 0.000 2.376 37 Y HA 0.590 5.126 4.550 -0.023 0.000 0.340 37 Y C -0.765 174.680 175.900 -0.758 0.000 0.965 37 Y CA -0.901 57.046 58.100 -0.255 0.000 1.078 37 Y CB 1.228 39.608 38.460 -0.133 0.000 1.193 37 Y HN 0.588 8.868 8.280 -0.000 0.000 0.452 38 F N 2.489 122.301 119.950 -0.229 0.000 2.445 38 F HA 0.449 4.963 4.527 -0.022 0.000 0.348 38 F C -0.444 174.954 175.800 -0.669 0.000 1.125 38 F CA -0.862 56.835 58.000 -0.506 0.000 0.983 38 F CB 1.255 39.947 39.000 -0.512 0.000 1.198 38 F HN 0.399 8.699 8.300 -0.000 0.000 0.436 39 C N 6.690 125.536 119.300 -0.756 0.000 2.293 39 C HA 0.592 5.038 4.460 -0.024 0.000 0.323 39 C C -0.017 174.627 174.990 -0.576 0.000 1.240 39 C CA -0.870 57.564 59.018 -0.974 0.000 1.497 39 C CB -0.810 26.418 27.740 -0.854 0.000 2.171 39 C HN 0.636 8.866 8.230 -0.000 0.000 0.465 40 I N 8.037 128.315 120.570 -0.488 0.000 2.421 40 I HA 0.086 4.242 4.170 -0.024 0.000 0.291 40 I C 0.847 176.839 176.117 -0.209 0.000 1.089 40 I CA 0.434 61.568 61.300 -0.276 0.000 1.354 40 I CB 0.590 38.474 38.000 -0.194 0.000 1.413 40 I HN 0.638 8.848 8.210 -0.000 0.000 0.513 41 V N 3.865 123.703 119.914 -0.126 0.000 2.096 41 V HA 0.147 4.252 4.120 -0.024 0.000 0.259 41 V C 1.165 177.249 176.094 -0.017 0.000 1.420 41 V CA -0.591 61.687 62.300 -0.037 0.000 1.336 41 V CB -0.217 31.641 31.823 0.059 0.000 1.394 41 V HN 0.725 8.915 8.190 -0.000 0.000 0.494 42 D N 2.026 122.402 120.400 -0.040 0.000 2.219 42 D HA -0.227 4.399 4.640 -0.024 0.000 0.205 42 D C 1.634 177.929 176.300 -0.009 0.000 0.970 42 D CA 1.210 55.190 54.000 -0.033 0.000 0.851 42 D CB 0.014 40.794 40.800 -0.032 0.000 0.943 42 D HN 0.628 8.998 8.370 -0.000 0.000 0.488 43 Q N -0.871 118.951 119.800 0.037 0.000 2.297 43 Q HA -0.103 4.223 4.340 -0.024 0.000 0.204 43 Q C 2.044 178.095 176.000 0.084 0.000 0.962 43 Q CA 0.770 56.622 55.803 0.081 0.000 0.879 43 Q CB -0.193 28.628 28.738 0.138 0.000 0.947 43 Q HN 0.622 8.892 8.270 -0.000 0.000 0.462 44 H N -0.289 118.698 119.070 -0.139 0.000 2.372 44 H HA 0.022 4.565 4.556 -0.023 0.000 0.301 44 H C 1.925 177.070 175.328 -0.305 0.000 1.065 44 H CA 0.816 56.562 56.048 -0.503 0.000 1.364 44 H CB 0.340 29.627 29.762 -0.793 0.000 1.406 44 H HN 0.269 8.549 8.280 -0.000 0.000 0.521 45 A N 1.870 124.548 122.820 -0.238 0.000 1.978 45 A HA -0.156 4.149 4.320 -0.024 0.000 0.220 45 A C 2.291 179.758 177.584 -0.194 0.000 1.170 45 A CA 1.571 53.456 52.037 -0.252 0.000 0.636 45 A CB -0.930 17.986 19.000 -0.140 0.000 0.810 45 A HN 0.661 8.811 8.150 -0.000 0.000 0.448 46 I N -1.660 118.837 120.570 -0.121 0.000 3.550 46 I HA -0.007 4.148 4.170 -0.024 0.000 0.295 46 I C 1.609 177.683 176.117 -0.072 0.000 1.291 46 I CA 1.234 62.490 61.300 -0.074 0.000 1.298 46 I CB -0.830 37.152 38.000 -0.029 0.000 1.026 46 I HN 0.247 8.457 8.210 -0.000 0.000 0.491 47 T N -0.724 113.755 114.554 -0.125 0.000 3.085 47 T HA 0.166 4.502 4.350 -0.024 0.000 0.263 47 T C 0.772 175.417 174.700 -0.092 0.000 1.127 47 T CA 0.384 62.430 62.100 -0.089 0.000 1.103 47 T CB -0.684 68.123 68.868 -0.103 0.000 0.921 47 T HN 0.356 8.596 8.240 -0.000 0.000 0.510 48 V N -2.196 117.645 119.914 -0.121 0.000 3.113 48 V HA 0.735 4.841 4.120 -0.024 0.000 0.316 48 V C -2.889 173.165 176.094 -0.067 0.000 1.125 48 V CA -3.126 59.120 62.300 -0.090 0.000 1.026 48 V CB 1.343 33.099 31.823 -0.113 0.000 1.080 48 V HN -0.095 8.095 8.190 -0.000 0.000 0.444 49 P HA 0.326 4.746 4.420 -0.000 0.000 0.271 49 P C -1.181 176.093 177.300 -0.042 0.000 1.216 49 P CA 0.189 63.267 63.100 -0.037 0.000 0.776 49 P CB 0.630 32.314 31.700 -0.027 0.000 0.881 50 Q N 1.249 121.028 119.800 -0.035 0.000 2.309 50 Q HA 0.254 4.579 4.340 -0.024 0.000 0.273 50 Q C -1.225 174.761 176.000 -0.024 0.000 1.040 50 Q CA -0.570 55.212 55.803 -0.035 0.000 0.834 50 Q CB 2.676 31.388 28.738 -0.042 0.000 1.345 50 Q HN 0.465 8.735 8.270 -0.000 0.000 0.414 51 D N 0.802 121.190 120.400 -0.020 0.000 2.308 51 D HA 0.098 4.724 4.640 -0.024 0.000 0.251 51 D C 1.306 177.598 176.300 -0.013 0.000 1.127 51 D CA -0.157 53.835 54.000 -0.014 0.000 0.876 51 D CB 0.951 41.745 40.800 -0.010 0.000 1.176 51 D HN 0.525 8.895 8.370 -0.000 0.000 0.446 52 R N 3.367 123.860 120.500 -0.010 0.000 2.127 52 R HA -0.138 4.188 4.340 -0.024 0.000 0.238 52 R C 1.222 177.518 176.300 -0.007 0.000 1.134 52 R CA 1.261 57.356 56.100 -0.009 0.000 0.975 52 R CB -0.457 29.839 30.300 -0.006 0.000 0.865 52 R HN 0.492 8.762 8.270 -0.000 0.000 0.447 53 L N 0.184 121.405 121.223 -0.004 0.000 2.095 53 L HA 0.004 4.329 4.340 -0.024 0.000 0.204 53 L C 2.609 179.478 176.870 -0.001 0.000 1.080 53 L CA 1.128 55.968 54.840 -0.001 0.000 0.759 53 L CB -0.434 41.626 42.059 0.001 0.000 0.914 53 L HN 0.179 8.409 8.230 -0.000 0.000 0.439 54 E N 0.793 120.991 120.200 -0.004 0.000 2.085 54 E HA -0.254 4.081 4.350 -0.024 0.000 0.194 54 E C 1.987 178.583 176.600 -0.008 0.000 0.994 54 E CA 1.298 57.696 56.400 -0.004 0.000 0.801 54 E CB -0.244 29.451 29.700 -0.009 0.000 0.743 54 E HN 0.218 8.578 8.360 -0.000 0.000 0.453 55 L N 0.765 121.980 121.223 -0.014 0.000 1.994 55 L HA -0.112 4.213 4.340 -0.024 0.000 0.208 55 L C 2.153 179.015 176.870 -0.013 0.000 1.071 55 L CA 1.864 56.693 54.840 -0.019 0.000 0.745 55 L CB -0.433 41.612 42.059 -0.024 0.000 0.892 55 L HN 0.035 8.265 8.230 -0.000 0.000 0.431 56 R N -0.405 120.091 120.500 -0.008 0.000 2.120 56 R HA -0.170 4.155 4.340 -0.024 0.000 0.234 56 R C 2.323 178.623 176.300 -0.000 0.000 1.123 56 R CA 1.262 57.359 56.100 -0.005 0.000 0.975 56 R CB -0.351 29.947 30.300 -0.002 0.000 0.866 56 R HN 0.448 8.718 8.270 -0.000 0.000 0.446 57 K N 0.763 121.166 120.400 0.005 0.000 2.001 57 K HA -0.116 4.190 4.320 -0.024 0.000 0.208 57 K C 1.624 178.237 176.600 0.021 0.000 1.048 57 K CA 1.327 57.623 56.287 0.016 0.000 0.932 57 K CB 0.020 32.532 32.500 0.020 0.000 0.715 57 K HN 0.047 8.297 8.250 -0.000 0.000 0.437 58 N N 1.177 119.885 118.700 0.012 0.000 2.149 58 N HA -0.142 4.583 4.740 -0.024 0.000 0.188 58 N C 1.873 177.390 175.510 0.012 0.000 1.019 58 N CA 1.089 54.147 53.050 0.013 0.000 0.857 58 N CB -0.231 38.254 38.487 -0.004 0.000 0.997 58 N HN 0.235 8.615 8.380 -0.000 0.000 0.426 59 I N 0.946 121.514 120.570 -0.003 0.000 2.113 59 I HA -0.246 3.909 4.170 -0.024 0.000 0.238 59 I C 2.412 178.524 176.117 -0.009 0.000 1.070 59 I CA 1.044 62.336 61.300 -0.014 0.000 1.332 59 I CB -0.160 37.827 38.000 -0.022 0.000 1.044 59 I HN 0.068 8.278 8.210 -0.000 0.000 0.402 60 R N 0.668 121.162 120.500 -0.009 0.000 2.094 60 R HA -0.214 4.112 4.340 -0.024 0.000 0.239 60 R C 2.187 178.475 176.300 -0.020 0.000 1.137 60 R CA 2.017 58.103 56.100 -0.024 0.000 0.943 60 R CB -0.668 29.616 30.300 -0.027 0.000 0.850 60 R HN 0.409 8.679 8.270 -0.000 0.000 0.433 61 N N 0.849 119.566 118.700 0.029 0.000 2.061 61 N HA -0.184 4.542 4.740 -0.024 0.000 0.193 61 N C 1.676 177.275 175.510 0.148 0.000 1.030 61 N CA 0.999 54.121 53.050 0.120 0.000 0.856 61 N CB -0.473 38.112 38.487 0.164 0.000 1.023 61 N HN 0.079 8.459 8.380 -0.000 0.000 0.424 62 L N 1.043 122.326 121.223 0.100 0.000 2.046 62 L HA 0.010 4.335 4.340 -0.024 0.000 0.208 62 L C 2.059 179.025 176.870 0.161 0.000 1.077 62 L CA 1.463 56.385 54.840 0.137 0.000 0.747 62 L CB -1.161 40.958 42.059 0.101 0.000 0.896 62 L HN 0.161 8.391 8.230 -0.000 0.000 0.432 63 A N -0.574 122.281 122.820 0.060 0.000 1.908 63 A HA -0.148 4.158 4.320 -0.024 0.000 0.218 63 A C 2.457 180.053 177.584 0.020 0.000 1.181 63 A CA 1.966 54.017 52.037 0.024 0.000 0.627 63 A CB -1.123 17.862 19.000 -0.026 0.000 0.818 63 A HN 0.552 8.702 8.150 -0.000 0.000 0.445 64 A N -0.381 122.412 122.820 -0.046 0.000 1.902 64 A HA -0.017 4.289 4.320 -0.024 0.000 0.217 64 A C 2.184 179.756 177.584 -0.019 0.000 1.181 64 A CA 1.465 53.400 52.037 -0.169 0.000 0.623 64 A CB -0.569 18.084 19.000 -0.578 0.000 0.818 64 A HN 0.475 8.625 8.150 -0.000 0.000 0.443 65 L N -2.396 118.910 121.223 0.138 0.000 2.017 65 L HA -0.201 4.125 4.340 -0.024 0.000 0.208 65 L C 2.584 179.425 176.870 -0.049 0.000 1.073 65 L CA 1.542 56.434 54.840 0.086 0.000 0.745 65 L CB -0.695 41.372 42.059 0.014 0.000 0.894 65 L HN 0.446 8.676 8.230 -0.000 0.000 0.432 66 Y N 0.234 120.496 120.300 -0.064 0.000 2.097 66 Y HA -0.290 4.246 4.550 -0.023 0.000 0.282 66 Y C 2.488 178.306 175.900 -0.137 0.000 1.152 66 Y CA 1.664 59.685 58.100 -0.132 0.000 1.136 66 Y CB -0.299 38.038 38.460 -0.205 0.000 0.975 66 Y HN 0.039 8.319 8.280 -0.000 0.000 0.498 67 L N -1.200 120.038 121.223 0.024 0.000 2.083 67 L HA -0.249 4.077 4.340 -0.024 0.000 0.209 67 L C 2.618 179.468 176.870 -0.034 0.000 1.083 67 L CA 1.046 55.874 54.840 -0.021 0.000 0.752 67 L CB -0.825 41.217 42.059 -0.029 0.000 0.899 67 L HN 0.223 8.453 8.230 -0.000 0.000 0.433 68 A N -0.727 122.071 122.820 -0.037 0.000 2.019 68 A HA -0.103 4.203 4.320 -0.024 0.000 0.219 68 A C 2.037 179.585 177.584 -0.061 0.000 1.164 68 A CA 1.295 53.308 52.037 -0.039 0.000 0.644 68 A CB -0.472 18.522 19.000 -0.009 0.000 0.805 68 A HN 0.247 8.397 8.150 -0.000 0.000 0.449 69 V N -1.127 118.737 119.914 -0.084 0.000 3.633 69 V HA 0.347 4.452 4.120 -0.024 0.000 0.283 69 V C 1.617 177.707 176.094 -0.006 0.000 1.305 69 V CA 0.963 63.222 62.300 -0.068 0.000 1.153 69 V CB -0.529 31.230 31.823 -0.106 0.000 0.950 69 V HN 0.979 9.169 8.190 -0.000 0.000 0.432 70 G N 0.150 108.941 108.800 -0.016 0.000 2.211 70 G HA2 -0.200 3.746 3.960 -0.024 0.000 0.201 70 G HA3 -0.200 3.746 3.960 -0.024 0.000 0.201 70 G C 0.187 175.085 174.900 -0.004 0.000 0.997 70 G CA 0.021 45.126 45.100 0.009 0.000 0.652 70 G HN 0.419 8.709 8.290 -0.000 0.000 0.500 71 L N 1.819 123.015 121.223 -0.046 0.000 2.559 71 L HA 0.405 4.730 4.340 -0.024 0.000 0.274 71 L C -0.343 176.496 176.870 -0.051 0.000 1.205 71 L CA 0.035 54.821 54.840 -0.090 0.000 0.907 71 L CB 0.595 42.549 42.059 -0.175 0.000 1.153 71 L HN 0.171 8.401 8.230 -0.000 0.000 0.490 72 D N 7.379 127.751 120.400 -0.046 0.000 2.412 72 D HA 0.261 4.887 4.640 -0.024 0.000 0.224 72 D C -1.699 174.591 176.300 -0.017 0.000 1.093 72 D CA -2.281 51.712 54.000 -0.011 0.000 0.850 72 D CB 1.533 42.347 40.800 0.022 0.000 1.046 72 D HN 0.329 8.699 8.370 -0.000 0.000 0.507 73 P HA -0.063 4.357 4.420 -0.000 0.000 0.230 73 P C 0.374 177.677 177.300 0.005 0.000 1.158 73 P CA 0.686 63.785 63.100 -0.001 0.000 0.769 73 P CB 0.466 32.169 31.700 0.004 0.000 0.807 74 E N -0.638 119.568 120.200 0.010 0.000 2.463 74 E HA 0.077 4.412 4.350 -0.024 0.000 0.193 74 E C 1.604 178.213 176.600 0.014 0.000 1.041 74 E CA 0.049 56.458 56.400 0.015 0.000 0.879 74 E CB 0.237 29.952 29.700 0.024 0.000 0.997 74 E HN 0.170 8.530 8.360 -0.000 0.000 0.478 75 K N -0.513 119.886 120.400 -0.001 0.000 2.504 75 K HA 0.270 4.575 4.320 -0.024 0.000 0.203 75 K C 0.313 176.884 176.600 -0.047 0.000 1.350 75 K CA 0.161 56.438 56.287 -0.017 0.000 0.953 75 K CB 1.444 33.925 32.500 -0.031 0.000 1.243 75 K HN -0.029 8.221 8.250 -0.000 0.000 0.534 76 A N 1.027 123.826 122.820 -0.036 0.000 2.322 76 A HA 0.631 4.936 4.320 -0.024 0.000 0.327 76 A C -0.681 176.894 177.584 -0.015 0.000 1.134 76 A CA -0.316 51.716 52.037 -0.008 0.000 0.831 76 A CB 1.124 20.197 19.000 0.122 0.000 1.288 76 A HN -0.001 8.149 8.150 -0.000 0.000 0.472 77 T N 1.715 116.248 114.554 -0.035 0.000 2.893 77 T HA 0.454 4.789 4.350 -0.024 0.000 0.324 77 T C -0.850 174.020 174.700 0.284 0.000 1.082 77 T CA -0.064 62.061 62.100 0.042 0.000 0.983 77 T CB 0.300 69.072 68.868 -0.160 0.000 1.005 77 T HN 0.471 8.711 8.240 -0.000 0.000 0.475 78 L N 6.202 127.561 121.223 0.226 0.000 2.272 78 L HA 0.826 5.152 4.340 -0.024 0.000 0.289 78 L C -0.974 176.043 176.870 0.245 0.000 1.032 78 L CA -0.609 54.325 54.840 0.156 0.000 0.810 78 L CB -0.059 42.009 42.059 0.014 0.000 1.205 78 L HN 0.652 8.882 8.230 -0.000 0.000 0.422 79 F N 3.205 123.150 119.950 -0.009 0.000 2.741 79 F HA 0.686 5.198 4.527 -0.025 0.000 0.313 79 F C -1.469 174.315 175.800 -0.028 0.000 1.153 79 F CA -1.335 56.665 58.000 0.001 0.000 0.931 79 F CB 0.978 40.007 39.000 0.048 0.000 1.335 79 F HN 0.147 8.447 8.300 -0.000 0.000 0.460 80 I N 2.446 123.049 120.570 0.055 0.000 2.339 80 I HA 0.229 4.385 4.170 -0.024 0.000 0.290 80 I C 1.174 177.305 176.117 0.023 0.000 0.994 80 I CA -0.433 60.828 61.300 -0.065 0.000 1.191 80 I CB 1.634 39.631 38.000 -0.004 0.000 1.343 80 I HN 0.889 9.099 8.210 -0.000 0.000 0.458 81 Q N 3.373 123.073 119.800 -0.168 0.000 2.065 81 Q HA -0.329 3.996 4.340 -0.024 0.000 0.213 81 Q C 2.138 178.098 176.000 -0.067 0.000 1.012 81 Q CA 2.932 58.609 55.803 -0.210 0.000 0.876 81 Q CB -0.040 28.578 28.738 -0.200 0.000 0.954 81 Q HN 0.820 9.090 8.270 -0.000 0.000 0.413 82 S N -0.042 115.651 115.700 -0.011 0.000 2.407 82 S HA -0.203 4.252 4.470 -0.024 0.000 0.235 82 S C 1.224 175.862 174.600 0.063 0.000 1.036 82 S CA 1.784 60.004 58.200 0.033 0.000 1.013 82 S CB -0.292 62.922 63.200 0.022 0.000 0.820 82 S HN 0.501 8.811 8.310 -0.000 0.000 0.476 83 E N -0.002 120.250 120.200 0.087 0.000 2.494 83 E HA 0.110 4.446 4.350 -0.024 0.000 0.193 83 E C -0.494 176.184 176.600 0.130 0.000 1.074 83 E CA 0.021 56.482 56.400 0.103 0.000 0.867 83 E CB 0.405 30.171 29.700 0.110 0.000 0.924 83 E HN 0.310 8.670 8.360 -0.000 0.000 0.502 84 V N 2.484 122.497 119.914 0.165 0.000 2.315 84 V HA 0.102 4.208 4.120 -0.024 0.000 0.265 84 V C -1.914 174.317 176.094 0.227 0.000 1.019 84 V CA -1.205 61.221 62.300 0.211 0.000 0.824 84 V CB 1.274 33.297 31.823 0.334 0.000 1.072 84 V HN -0.029 8.161 8.190 -0.000 0.000 0.448 85 P HA -0.209 4.211 4.420 -0.000 0.000 0.219 85 P C 1.687 179.055 177.300 0.113 0.000 1.144 85 P CA 1.630 64.796 63.100 0.110 0.000 0.806 85 P CB 0.318 32.056 31.700 0.064 0.000 0.771 86 A N -0.660 122.220 122.820 0.100 0.000 1.986 86 A HA -0.280 4.025 4.320 -0.024 0.000 0.220 86 A C 2.124 179.699 177.584 -0.014 0.000 1.171 86 A CA 1.520 53.562 52.037 0.009 0.000 0.640 86 A CB -1.607 17.347 19.000 -0.077 0.000 0.811 86 A HN 0.288 8.438 8.150 -0.000 0.000 0.451 87 H N -0.649 118.429 119.070 0.014 0.000 2.290 87 H HA -0.140 4.403 4.556 -0.021 0.000 0.298 87 H C 2.630 177.963 175.328 0.009 0.000 1.087 87 H CA 1.628 57.684 56.048 0.013 0.000 1.291 87 H CB -0.304 29.514 29.762 0.093 0.000 1.369 87 H HN 0.565 8.845 8.280 -0.000 0.000 0.492 88 A N 1.197 124.121 122.820 0.173 0.000 1.902 88 A HA -0.210 4.096 4.320 -0.024 0.000 0.217 88 A C 2.394 180.044 177.584 0.110 0.000 1.181 88 A CA 1.567 53.679 52.037 0.125 0.000 0.623 88 A CB -0.512 18.549 19.000 0.103 0.000 0.818 88 A HN 0.466 8.616 8.150 -0.000 0.000 0.443 89 Q N -0.662 119.183 119.800 0.076 0.000 1.993 89 Q HA -0.104 4.222 4.340 -0.024 0.000 0.202 89 Q C 2.504 178.540 176.000 0.059 0.000 0.984 89 Q CA 1.557 57.404 55.803 0.072 0.000 0.837 89 Q CB -0.411 28.345 28.738 0.029 0.000 0.902 89 Q HN 0.654 8.924 8.270 -0.000 0.000 0.423 90 A N 0.979 123.776 122.820 -0.038 0.000 1.933 90 A HA -0.119 4.187 4.320 -0.024 0.000 0.218 90 A C 2.304 179.820 177.584 -0.114 0.000 1.175 90 A CA 1.598 53.566 52.037 -0.116 0.000 0.628 90 A CB -1.358 17.507 19.000 -0.225 0.000 0.814 90 A HN 0.512 8.662 8.150 -0.000 0.000 0.444 91 G N -1.091 107.666 108.800 -0.073 0.000 2.505 91 G HA2 -0.344 3.602 3.960 -0.024 0.000 0.220 91 G HA3 -0.344 3.602 3.960 -0.024 0.000 0.220 91 G C 1.544 176.447 174.900 0.006 0.000 1.145 91 G CA 1.083 46.148 45.100 -0.059 0.000 0.761 91 G HN 0.722 9.012 8.290 -0.000 0.000 0.571 92 W N 0.600 121.857 121.300 -0.071 0.000 2.409 92 W HA -0.006 4.642 4.660 -0.021 0.000 0.299 92 W C 2.506 178.998 176.519 -0.045 0.000 1.203 92 W CA 1.086 58.404 57.345 -0.045 0.000 1.298 92 W CB -0.156 29.288 29.460 -0.026 0.000 1.127 92 W HN 0.238 8.418 8.180 -0.000 0.000 0.528 93 M N 0.381 119.883 119.600 -0.163 0.000 2.106 93 M HA -0.323 4.142 4.480 -0.024 0.000 0.259 93 M C 2.076 178.218 176.300 -0.264 0.000 1.068 93 M CA 1.789 56.954 55.300 -0.225 0.000 1.100 93 M CB -0.530 32.021 32.600 -0.081 0.000 1.351 93 M HN -0.122 8.168 8.290 -0.000 0.000 0.404 94 M N -0.366 119.087 119.600 -0.246 0.000 2.296 94 M HA -0.138 4.327 4.480 -0.024 0.000 0.265 94 M C 1.966 178.102 176.300 -0.273 0.000 1.064 94 M CA 1.345 56.505 55.300 -0.233 0.000 1.109 94 M CB -1.165 31.275 32.600 -0.265 0.000 1.396 94 M HN 0.283 8.573 8.290 -0.000 0.000 0.430 95 Q N -0.814 118.760 119.800 -0.378 0.000 2.226 95 Q HA -0.099 4.226 4.340 -0.024 0.000 0.204 95 Q C 1.943 177.664 176.000 -0.465 0.000 0.975 95 Q CA 1.151 56.693 55.803 -0.436 0.000 0.866 95 Q CB -0.517 27.832 28.738 -0.647 0.000 0.915 95 Q HN 0.535 8.805 8.270 -0.000 0.000 0.440 96 C N -0.199 118.794 119.300 -0.512 0.000 2.626 96 C HA 0.140 4.585 4.460 -0.024 0.000 0.266 96 C C 2.248 177.137 174.990 -0.168 0.000 1.317 96 C CA -0.130 58.679 59.018 -0.348 0.000 1.716 96 C CB -0.521 27.004 27.740 -0.359 0.000 1.819 96 C HN 0.193 8.423 8.230 -0.000 0.000 0.578 97 V N -0.155 119.653 119.914 -0.178 0.000 3.250 97 V HA 0.290 4.396 4.120 -0.024 0.000 0.240 97 V C 1.442 177.315 176.094 -0.368 0.000 1.275 97 V CA 0.735 62.943 62.300 -0.154 0.000 1.206 97 V CB -0.526 31.303 31.823 0.010 0.000 0.976 97 V HN 0.399 8.589 8.190 -0.000 0.000 0.467 98 A N -0.114 122.520 122.820 -0.310 0.000 2.445 98 A HA 0.511 4.816 4.320 -0.024 0.000 0.242 98 A C -0.833 176.572 177.584 -0.299 0.000 1.075 98 A CA 0.324 52.163 52.037 -0.331 0.000 0.777 98 A CB -0.126 18.760 19.000 -0.190 0.000 1.013 98 A HN 0.358 8.508 8.150 -0.000 0.000 0.493 99 Y N 0.543 120.828 120.300 -0.024 0.000 2.496 99 Y HA 0.432 4.967 4.550 -0.024 0.000 0.331 99 Y C 1.236 177.130 175.900 -0.010 0.000 1.140 99 Y CA -0.913 57.177 58.100 -0.017 0.000 1.166 99 Y CB 0.918 39.373 38.460 -0.009 0.000 1.249 99 Y HN 0.540 8.820 8.280 -0.000 0.000 0.479 100 I N 1.110 121.788 120.570 0.179 0.000 2.179 100 I HA -0.212 3.943 4.170 -0.024 0.000 0.242 100 I C 2.378 178.551 176.117 0.093 0.000 1.088 100 I CA 1.877 63.238 61.300 0.102 0.000 1.357 100 I CB -0.687 37.358 38.000 0.075 0.000 1.051 100 I HN 0.966 9.176 8.210 -0.000 0.000 0.409 101 G N 0.846 109.703 108.800 0.095 0.000 2.599 101 G HA2 -0.313 3.632 3.960 -0.024 0.000 0.219 101 G HA3 -0.313 3.632 3.960 -0.024 0.000 0.219 101 G C 1.457 176.401 174.900 0.074 0.000 1.193 101 G CA 1.268 46.407 45.100 0.065 0.000 0.778 101 G HN 0.505 8.795 8.290 -0.000 0.000 0.589 102 E N 0.321 120.585 120.200 0.107 0.000 2.097 102 E HA -0.141 4.194 4.350 -0.024 0.000 0.196 102 E C 2.585 179.221 176.600 0.060 0.000 1.000 102 E CA 1.006 57.455 56.400 0.082 0.000 0.804 102 E CB -0.313 29.439 29.700 0.086 0.000 0.740 102 E HN 0.462 8.822 8.360 -0.000 0.000 0.454 103 L N 0.874 122.135 121.223 0.064 0.000 2.109 103 L HA -0.109 4.216 4.340 -0.024 0.000 0.207 103 L C 2.191 179.098 176.870 0.062 0.000 1.086 103 L CA 0.914 55.791 54.840 0.062 0.000 0.760 103 L CB -0.328 41.765 42.059 0.057 0.000 0.910 103 L HN 0.085 8.315 8.230 -0.000 0.000 0.437 104 E N 0.459 120.692 120.200 0.055 0.000 2.418 104 E HA -0.117 4.219 4.350 -0.024 0.000 0.197 104 E C 0.981 177.604 176.600 0.039 0.000 1.026 104 E CA 0.371 56.799 56.400 0.047 0.000 0.862 104 E CB 0.028 29.752 29.700 0.040 0.000 0.799 104 E HN 0.436 8.796 8.360 -0.000 0.000 0.518 105 R N 0.484 121.006 120.500 0.037 0.000 3.351 105 R HA 0.291 4.617 4.340 -0.024 0.000 0.296 105 R C -0.026 176.284 176.300 0.016 0.000 1.427 105 R CA 0.073 56.188 56.100 0.025 0.000 1.257 105 R CB 0.051 30.364 30.300 0.023 0.000 1.378 105 R HN 0.055 8.325 8.270 -0.000 0.000 0.610 121 S N 2.854 118.587 115.700 0.055 0.000 2.387 121 S HA -0.043 4.413 4.470 -0.024 0.000 0.226 121 S C 1.896 176.552 174.600 0.093 0.000 1.026 121 S CA 2.177 60.420 58.200 0.073 0.000 0.972 121 S CB -0.135 63.110 63.200 0.075 0.000 0.814 121 S HN 1.328 9.638 8.310 -0.000 0.000 0.477 122 G N 1.052 109.909 108.800 0.095 0.000 2.484 122 G HA2 -0.051 3.895 3.960 -0.024 0.000 0.218 122 G HA3 -0.051 3.895 3.960 -0.024 0.000 0.218 122 G C 1.291 176.279 174.900 0.146 0.000 1.130 122 G CA 0.595 45.774 45.100 0.131 0.000 0.784 122 G HN 0.457 8.747 8.290 -0.000 0.000 0.543 123 L N 0.197 121.481 121.223 0.101 0.000 2.027 123 L HA 0.126 4.451 4.340 -0.024 0.000 0.206 123 L C 2.507 179.454 176.870 0.128 0.000 1.074 123 L CA 1.286 56.186 54.840 0.101 0.000 0.745 123 L CB -0.599 41.497 42.059 0.061 0.000 0.898 123 L HN 0.234 8.464 8.230 -0.000 0.000 0.433 124 L N -0.945 120.343 121.223 0.108 0.000 2.217 124 L HA -0.037 4.288 4.340 -0.024 0.000 0.211 124 L C 1.679 178.615 176.870 0.110 0.000 1.107 124 L CA 1.910 56.811 54.840 0.102 0.000 0.783 124 L CB -0.567 41.541 42.059 0.081 0.000 0.919 124 L HN 0.530 8.760 8.230 -0.000 0.000 0.442 125 T N -4.559 110.070 114.554 0.124 0.000 3.339 125 T HA 0.052 4.387 4.350 -0.024 0.000 0.292 125 T C 1.028 175.796 174.700 0.113 0.000 1.012 125 T CA -0.337 61.823 62.100 0.099 0.000 0.937 125 T CB -0.653 68.270 68.868 0.093 0.000 1.164 125 T HN 0.309 8.549 8.240 -0.000 0.000 0.509 126 Y N 2.585 122.902 120.300 0.027 0.000 2.337 126 Y HA 0.261 4.798 4.550 -0.021 0.000 0.293 126 Y C -1.290 174.556 175.900 -0.089 0.000 1.123 126 Y CA 0.297 58.391 58.100 -0.011 0.000 1.201 126 Y CB -0.634 37.834 38.460 0.014 0.000 1.011 126 Y HN 0.247 8.527 8.280 -0.000 0.000 0.545 127 P HA -0.166 4.254 4.420 -0.000 0.000 0.216 127 P C -1.403 175.715 177.300 -0.304 0.000 1.153 127 P CA 2.479 65.445 63.100 -0.224 0.000 0.858 127 P CB -1.087 30.605 31.700 -0.014 0.000 0.789 128 P HA -0.139 4.281 4.420 -0.000 0.000 0.216 128 P C 1.607 178.700 177.300 -0.344 0.000 1.150 128 P CA 0.890 63.833 63.100 -0.262 0.000 0.837 128 P CB -0.417 31.162 31.700 -0.201 0.000 0.786 129 L N -1.678 119.288 121.223 -0.428 0.000 2.109 129 L HA -0.028 4.298 4.340 -0.024 0.000 0.207 129 L C 2.287 178.782 176.870 -0.624 0.000 1.086 129 L CA 1.731 56.290 54.840 -0.469 0.000 0.760 129 L CB -1.005 40.805 42.059 -0.415 0.000 0.910 129 L HN -0.114 8.116 8.230 -0.000 0.000 0.437 130 M N -1.092 117.941 119.600 -0.945 0.000 2.117 130 M HA -0.185 4.281 4.480 -0.024 0.000 0.262 130 M C 2.198 178.258 176.300 -0.401 0.000 1.065 130 M CA 1.844 56.760 55.300 -0.640 0.000 1.114 130 M CB -0.213 32.050 32.600 -0.563 0.000 1.361 130 M HN 0.426 8.716 8.290 -0.000 0.000 0.408 131 A N 0.267 122.854 122.820 -0.388 0.000 1.908 131 A HA -0.138 4.168 4.320 -0.024 0.000 0.218 131 A C 2.264 179.570 177.584 -0.463 0.000 1.181 131 A CA 2.091 53.904 52.037 -0.373 0.000 0.627 131 A CB -1.117 17.678 19.000 -0.342 0.000 0.818 131 A HN 0.641 8.791 8.150 -0.000 0.000 0.445 132 A N -0.046 122.505 122.820 -0.448 0.000 1.933 132 A HA -0.184 4.122 4.320 -0.024 0.000 0.218 132 A C 1.757 179.038 177.584 -0.504 0.000 1.175 132 A CA 1.810 53.565 52.037 -0.470 0.000 0.628 132 A CB -0.569 18.214 19.000 -0.361 0.000 0.814 132 A HN 0.507 8.657 8.150 -0.000 0.000 0.444 133 D N 0.212 120.370 120.400 -0.402 0.000 2.104 133 D HA -0.156 4.470 4.640 -0.024 0.000 0.194 133 D C 1.865 177.655 176.300 -0.851 0.000 0.994 133 D CA 1.586 55.360 54.000 -0.377 0.000 0.830 133 D CB -0.352 40.404 40.800 -0.073 0.000 0.959 133 D HN 0.555 8.925 8.370 -0.000 0.000 0.452 134 I N 0.430 120.519 120.570 -0.803 0.000 2.286 134 I HA -0.167 3.989 4.170 -0.024 0.000 0.245 134 I C 2.384 178.199 176.117 -0.503 0.000 1.104 134 I CA 0.553 61.386 61.300 -0.779 0.000 1.397 134 I CB -0.118 37.633 38.000 -0.416 0.000 1.072 134 I HN -0.082 8.128 8.210 -0.000 0.000 0.417 135 L N 0.170 121.078 121.223 -0.524 0.000 2.217 135 L HA -0.124 4.202 4.340 -0.024 0.000 0.211 135 L C 2.359 178.988 176.870 -0.401 0.000 1.107 135 L CA 0.801 55.328 54.840 -0.520 0.000 0.783 135 L CB -0.408 41.055 42.059 -0.993 0.000 0.919 135 L HN 0.274 8.504 8.230 -0.000 0.000 0.442 136 L N -1.235 119.664 121.223 -0.540 0.000 2.353 136 L HA -0.199 4.127 4.340 -0.024 0.000 0.220 136 L C 1.320 177.712 176.870 -0.797 0.000 1.133 136 L CA 1.163 55.590 54.840 -0.689 0.000 0.798 136 L CB -0.183 41.262 42.059 -1.024 0.000 0.922 136 L HN 0.300 8.530 8.230 -0.000 0.000 0.445 137 Y N -1.098 119.019 120.300 -0.304 0.000 2.531 137 Y HA 0.319 4.856 4.550 -0.022 0.000 0.249 137 Y C 1.586 177.423 175.900 -0.105 0.000 1.168 137 Y CA 0.030 57.968 58.100 -0.270 0.000 1.226 137 Y CB 0.412 38.560 38.460 -0.521 0.000 1.177 137 Y HN 0.110 8.390 8.280 -0.000 0.000 0.527 138 G N 0.970 109.771 108.800 0.001 0.000 2.221 138 G HA2 -0.303 3.643 3.960 -0.024 0.000 0.265 138 G HA3 -0.303 3.643 3.960 -0.024 0.000 0.265 138 G C 0.146 175.091 174.900 0.076 0.000 1.041 138 G CA 0.445 45.576 45.100 0.052 0.000 0.807 138 G HN 0.249 8.539 8.290 -0.000 0.000 0.502 139 T N 0.773 115.355 114.554 0.046 0.000 2.871 139 T HA 0.205 4.540 4.350 -0.024 0.000 0.296 139 T C 1.246 175.986 174.700 0.067 0.000 0.998 139 T CA 0.566 62.711 62.100 0.076 0.000 1.162 139 T CB 0.839 69.723 68.868 0.027 0.000 0.947 139 T HN 0.297 8.537 8.240 -0.000 0.000 0.536 140 D N 2.220 122.682 120.400 0.103 0.000 2.216 140 D HA 0.119 4.744 4.640 -0.024 0.000 0.208 140 D C 0.479 176.827 176.300 0.080 0.000 0.960 140 D CA 0.871 54.928 54.000 0.095 0.000 0.861 140 D CB 0.469 41.346 40.800 0.128 0.000 0.985 140 D HN 0.369 8.739 8.370 -0.000 0.000 0.493 141 L N 0.696 121.969 121.223 0.083 0.000 2.401 141 L HA 0.427 4.753 4.340 -0.024 0.000 0.266 141 L C -0.752 176.144 176.870 0.044 0.000 0.991 141 L CA -0.756 54.117 54.840 0.055 0.000 0.818 141 L CB 3.183 45.260 42.059 0.031 0.000 1.321 141 L HN -0.340 7.890 8.230 -0.000 0.000 0.413 142 V N 1.971 121.902 119.914 0.028 0.000 2.864 142 V HA 0.540 4.646 4.120 -0.024 0.000 0.314 142 V C -2.268 173.801 176.094 -0.042 0.000 1.073 142 V CA -1.822 60.472 62.300 -0.009 0.000 0.956 142 V CB 2.426 34.258 31.823 0.015 0.000 1.023 142 V HN 0.556 8.746 8.190 -0.000 0.000 0.435 143 P HA 0.275 4.695 4.420 -0.000 0.000 0.274 143 P C -2.657 174.611 177.300 -0.054 0.000 1.256 143 P CA -1.532 61.423 63.100 -0.242 0.000 0.795 143 P CB -0.022 31.193 31.700 -0.809 0.000 1.038 144 P HA 0.156 4.576 4.420 -0.000 0.000 0.212 144 P C 0.270 177.592 177.300 0.035 0.000 1.816 144 P CA -0.208 62.923 63.100 0.052 0.000 0.944 144 P CB -0.420 31.335 31.700 0.092 0.000 1.896 145 G N 1.358 110.161 108.800 0.004 0.000 2.202 145 G HA2 -0.071 3.875 3.960 -0.024 0.000 0.251 145 G HA3 -0.071 3.875 3.960 -0.024 0.000 0.251 145 G C 0.035 174.960 174.900 0.042 0.000 1.219 145 G CA -0.288 44.824 45.100 0.020 0.000 0.943 145 G HN 0.306 8.596 8.290 -0.000 0.000 0.465 146 E N 2.652 122.878 120.200 0.042 0.000 2.585 146 E HA 0.015 4.350 4.350 -0.024 0.000 0.252 146 E C -0.168 176.459 176.600 0.045 0.000 0.981 146 E CA 0.473 56.897 56.400 0.039 0.000 0.943 146 E CB 0.360 30.080 29.700 0.035 0.000 0.923 146 E HN 0.633 8.993 8.360 -0.000 0.000 0.486 147 D N 2.899 123.318 120.400 0.033 0.000 3.108 147 D HA -0.160 4.466 4.640 -0.024 0.000 0.214 147 D C 0.225 176.549 176.300 0.040 0.000 1.098 147 D CA 0.617 54.629 54.000 0.021 0.000 0.901 147 D CB -1.163 39.660 40.800 0.039 0.000 1.091 147 D HN 0.576 8.946 8.370 -0.000 0.000 0.435 148 Q N -0.372 119.462 119.800 0.058 0.000 2.247 148 Q HA 0.168 4.493 4.340 -0.024 0.000 0.204 148 Q C 1.783 177.800 176.000 0.029 0.000 0.872 148 Q CA -0.163 55.699 55.803 0.098 0.000 0.951 148 Q CB 0.534 29.333 28.738 0.103 0.000 1.099 148 Q HN 0.203 8.473 8.270 -0.000 0.000 0.501 149 K N 1.107 121.498 120.400 -0.014 0.000 2.097 149 K HA -0.198 4.108 4.320 -0.024 0.000 0.206 149 K C 1.991 178.566 176.600 -0.040 0.000 1.049 149 K CA 1.566 57.843 56.287 -0.018 0.000 0.933 149 K CB 0.178 32.669 32.500 -0.016 0.000 0.717 149 K HN 0.316 8.566 8.250 -0.000 0.000 0.442 150 Q N -1.085 118.650 119.800 -0.108 0.000 2.402 150 Q HA -0.037 4.289 4.340 -0.024 0.000 0.206 150 Q C 1.353 177.291 176.000 -0.103 0.000 0.919 150 Q CA 0.585 56.314 55.803 -0.122 0.000 0.923 150 Q CB 0.082 28.726 28.738 -0.158 0.000 1.048 150 Q HN 0.314 8.584 8.270 -0.000 0.000 0.515 151 H N 0.740 119.808 119.070 -0.003 0.000 2.363 151 H HA -0.004 4.537 4.556 -0.025 0.000 0.301 151 H C 1.936 177.241 175.328 -0.038 0.000 1.074 151 H CA 1.067 57.105 56.048 -0.017 0.000 1.354 151 H CB 0.068 29.827 29.762 -0.004 0.000 1.397 151 H HN 0.218 8.498 8.280 -0.000 0.000 0.516 152 L N 1.256 122.533 121.223 0.089 0.000 2.141 152 L HA -0.101 4.224 4.340 -0.024 0.000 0.209 152 L C 2.447 179.318 176.870 0.002 0.000 1.094 152 L CA 1.451 56.307 54.840 0.026 0.000 0.763 152 L CB -0.306 41.767 42.059 0.022 0.000 0.908 152 L HN 0.217 8.447 8.230 -0.000 0.000 0.437 153 E N -0.775 119.427 120.200 0.004 0.000 2.031 153 E HA -0.269 4.066 4.350 -0.024 0.000 0.193 153 E C 2.192 178.786 176.600 -0.009 0.000 0.994 153 E CA 1.451 57.849 56.400 -0.004 0.000 0.800 153 E CB -0.205 29.491 29.700 -0.006 0.000 0.752 153 E HN 0.396 8.756 8.360 -0.000 0.000 0.447 154 L N 1.004 122.224 121.223 -0.005 0.000 1.989 154 L HA -0.197 4.129 4.340 -0.024 0.000 0.211 154 L C 2.335 179.174 176.870 -0.053 0.000 1.071 154 L CA 2.270 57.099 54.840 -0.017 0.000 0.749 154 L CB -0.968 41.093 42.059 0.004 0.000 0.890 154 L HN 0.141 8.371 8.230 -0.000 0.000 0.431 155 T N -0.266 114.250 114.554 -0.064 0.000 2.607 155 T HA -0.255 4.081 4.350 -0.024 0.000 0.267 155 T C 1.928 176.560 174.700 -0.114 0.000 1.049 155 T CA 1.989 64.014 62.100 -0.124 0.000 1.162 155 T CB -0.279 68.510 68.868 -0.132 0.000 0.863 155 T HN 0.364 8.604 8.240 -0.000 0.000 0.424 156 R N 1.077 121.536 120.500 -0.067 0.000 2.115 156 R HA -0.132 4.193 4.340 -0.024 0.000 0.239 156 R C 2.540 178.824 176.300 -0.025 0.000 1.133 156 R CA 1.740 57.816 56.100 -0.040 0.000 0.935 156 R CB -0.488 29.803 30.300 -0.015 0.000 0.853 156 R HN 0.375 8.645 8.270 -0.000 0.000 0.433 157 N N 0.748 119.436 118.700 -0.020 0.000 2.094 157 N HA -0.166 4.559 4.740 -0.024 0.000 0.191 157 N C 1.914 177.416 175.510 -0.013 0.000 1.023 157 N CA 1.281 54.327 53.050 -0.008 0.000 0.857 157 N CB -0.208 38.275 38.487 -0.006 0.000 1.013 157 N HN 0.236 8.616 8.380 -0.000 0.000 0.426 158 L N 0.697 121.889 121.223 -0.051 0.000 2.093 158 L HA -0.080 4.245 4.340 -0.024 0.000 0.208 158 L C 2.505 179.380 176.870 0.008 0.000 1.085 158 L CA 0.842 55.647 54.840 -0.058 0.000 0.755 158 L CB -0.569 41.409 42.059 -0.135 0.000 0.904 158 L HN 0.104 8.334 8.230 -0.000 0.000 0.435 159 A N 0.332 123.124 122.820 -0.047 0.000 1.892 159 A HA -0.262 4.044 4.320 -0.024 0.000 0.218 159 A C 2.137 179.855 177.584 0.223 0.000 1.188 159 A CA 1.978 54.047 52.037 0.052 0.000 0.631 159 A CB -0.515 18.462 19.000 -0.038 0.000 0.822 159 A HN 0.452 8.602 8.150 -0.000 0.000 0.447 160 E N -1.169 119.102 120.200 0.119 0.000 2.150 160 E HA -0.144 4.191 4.350 -0.024 0.000 0.193 160 E C 2.330 179.000 176.600 0.116 0.000 0.985 160 E CA 0.789 57.254 56.400 0.108 0.000 0.814 160 E CB -0.112 29.623 29.700 0.059 0.000 0.752 160 E HN 0.502 8.862 8.360 -0.000 0.000 0.466 161 R N -0.335 120.234 120.500 0.116 0.000 2.115 161 R HA -0.069 4.257 4.340 -0.024 0.000 0.226 161 R C 1.971 178.362 176.300 0.151 0.000 1.100 161 R CA 0.743 56.896 56.100 0.088 0.000 0.980 161 R CB -0.069 30.252 30.300 0.035 0.000 0.875 161 R HN 0.178 8.448 8.270 -0.000 0.000 0.445 162 F N 1.357 121.394 119.950 0.146 0.000 2.293 162 F HA -0.062 4.449 4.527 -0.027 0.000 0.297 162 F C 1.863 177.777 175.800 0.190 0.000 1.089 162 F CA 1.014 59.181 58.000 0.278 0.000 1.377 162 F CB 0.030 39.255 39.000 0.374 0.000 1.051 162 F HN -0.004 8.296 8.300 -0.000 0.000 0.511 163 N N 0.754 119.652 118.700 0.330 0.000 2.142 163 N HA -0.151 4.575 4.740 -0.024 0.000 0.186 163 N C 1.720 177.246 175.510 0.027 0.000 1.023 163 N CA 1.296 54.441 53.050 0.158 0.000 0.852 163 N CB -0.319 38.255 38.487 0.145 0.000 0.998 163 N HN 0.333 8.713 8.380 -0.000 0.000 0.424 164 K N 0.748 121.152 120.400 0.006 0.000 2.097 164 K HA -0.035 4.271 4.320 -0.024 0.000 0.205 164 K C 1.850 178.351 176.600 -0.164 0.000 1.050 164 K CA 0.911 57.162 56.287 -0.059 0.000 0.938 164 K CB 0.054 32.529 32.500 -0.042 0.000 0.718 164 K HN 0.070 8.320 8.250 -0.000 0.000 0.442 165 K N -1.045 119.187 120.400 -0.280 0.000 2.379 165 K HA -0.012 4.294 4.320 -0.024 0.000 0.194 165 K C 0.531 176.577 176.600 -0.925 0.000 1.031 165 K CA 0.726 56.647 56.287 -0.610 0.000 1.037 165 K CB 0.449 32.486 32.500 -0.773 0.000 0.824 165 K HN 0.091 8.341 8.250 -0.000 0.000 0.516 166 Y N -1.582 118.511 120.300 -0.344 0.000 3.260 166 Y HA 0.314 4.845 4.550 -0.031 0.000 0.202 166 Y C -0.023 175.734 175.900 -0.239 0.000 0.962 166 Y CA -0.809 57.059 58.100 -0.387 0.000 1.582 166 Y CB 0.781 38.761 38.460 -0.800 0.000 1.478 166 Y HN -0.176 8.104 8.280 -0.000 0.000 0.384 167 N N 0.196 118.877 118.700 -0.031 0.000 2.710 167 N HA 0.082 4.807 4.740 -0.024 0.000 0.257 167 N C -2.290 173.215 175.510 -0.008 0.000 1.140 167 N CA -0.577 52.461 53.050 -0.019 0.000 0.953 167 N CB 1.820 40.298 38.487 -0.015 0.000 1.664 167 N HN 0.081 8.461 8.380 -0.000 0.000 0.497 168 D N 1.706 122.095 120.400 -0.019 0.000 2.367 168 D HA 0.185 4.810 4.640 -0.024 0.000 0.255 168 D C 1.251 177.508 176.300 -0.072 0.000 1.300 168 D CA 0.083 54.072 54.000 -0.017 0.000 0.959 168 D CB 0.058 40.856 40.800 -0.002 0.000 1.064 168 D HN 0.562 8.932 8.370 -0.000 0.000 0.509 169 I N -0.654 119.804 120.570 -0.186 0.000 4.456 169 I HA 0.339 4.495 4.170 -0.024 0.000 0.329 169 I C -0.457 175.502 176.117 -0.264 0.000 1.313 169 I CA -0.449 60.677 61.300 -0.290 0.000 1.205 169 I CB 0.168 37.912 38.000 -0.426 0.000 1.179 169 I HN -0.032 8.178 8.210 -0.000 0.000 0.419 170 F N 3.508 123.452 119.950 -0.009 0.000 2.408 170 F HA 0.470 4.993 4.527 -0.007 0.000 0.344 170 F C 1.077 176.861 175.800 -0.027 0.000 1.112 170 F CA -1.465 56.502 58.000 -0.056 0.000 1.096 170 F CB 1.239 40.187 39.000 -0.087 0.000 1.129 170 F HN -0.030 8.270 8.300 -0.000 0.000 0.486 171 T N 1.812 116.467 114.554 0.167 0.000 2.910 171 T HA 0.498 4.833 4.350 -0.024 0.000 0.293 171 T C -0.029 174.715 174.700 0.074 0.000 1.015 171 T CA -0.832 61.327 62.100 0.099 0.000 1.094 171 T CB 0.681 69.593 68.868 0.073 0.000 0.968 171 T HN 0.298 8.538 8.240 -0.000 0.000 0.521 172 I N 4.934 125.538 120.570 0.057 0.000 2.301 172 I HA 0.282 4.438 4.170 -0.024 0.000 0.292 172 I C -1.851 174.278 176.117 0.019 0.000 1.046 172 I CA -2.667 58.651 61.300 0.031 0.000 1.282 172 I CB 0.422 38.444 38.000 0.037 0.000 1.409 172 I HN 0.575 8.785 8.210 -0.000 0.000 0.484 173 P HA 0.251 4.671 4.420 -0.000 0.000 0.275 173 P C -0.455 176.853 177.300 0.013 0.000 1.228 173 P CA -0.256 62.845 63.100 0.002 0.000 0.786 173 P CB 1.554 33.236 31.700 -0.030 0.000 0.927 174 E N 0.669 120.886 120.200 0.028 0.000 2.281 174 E HA 0.353 4.688 4.350 -0.024 0.000 0.262 174 E C -0.837 175.783 176.600 0.035 0.000 0.933 174 E CA -1.058 55.361 56.400 0.032 0.000 0.809 174 E CB 2.526 32.251 29.700 0.043 0.000 1.242 174 E HN 0.150 8.510 8.360 -0.000 0.000 0.418 175 V N 1.962 121.898 119.914 0.036 0.000 2.257 175 V HA 0.305 4.411 4.120 -0.024 0.000 0.269 175 V C -0.729 175.398 176.094 0.055 0.000 1.040 175 V CA -0.328 61.998 62.300 0.043 0.000 0.813 175 V CB 0.327 32.172 31.823 0.037 0.000 1.065 175 V HN 0.466 8.656 8.190 -0.000 0.000 0.457 176 K N 5.779 126.219 120.400 0.067 0.000 2.244 176 K HA 0.618 4.924 4.320 -0.024 0.000 0.260 176 K C -0.074 176.574 176.600 0.081 0.000 0.951 176 K CA -0.708 55.614 56.287 0.060 0.000 0.826 176 K CB 1.687 34.211 32.500 0.039 0.000 1.108 176 K HN 0.684 8.934 8.250 -0.000 0.000 0.433 183 R N 2.267 122.797 120.500 0.050 0.000 2.215 183 R HA 0.477 4.803 4.340 -0.024 0.000 0.336 183 R C -0.414 175.917 176.300 0.052 0.000 0.996 183 R CA -0.694 55.435 56.100 0.047 0.000 0.847 183 R CB 1.017 31.344 30.300 0.044 0.000 1.127 183 R HN 0.535 8.805 8.270 -0.000 0.000 0.465 184 I N 4.725 125.324 120.570 0.049 0.000 2.416 184 I HA 0.149 4.305 4.170 -0.024 0.000 0.288 184 I C 0.547 176.693 176.117 0.048 0.000 1.051 184 I CA -0.032 61.300 61.300 0.054 0.000 1.375 184 I CB 0.485 38.518 38.000 0.056 0.000 1.407 184 I HN 0.481 8.691 8.210 -0.000 0.000 0.516 185 M N 3.403 123.030 119.600 0.045 0.000 2.613 185 M HA 0.282 4.747 4.480 -0.024 0.000 0.301 185 M C 0.562 176.885 176.300 0.039 0.000 1.205 185 M CA -0.711 54.611 55.300 0.036 0.000 0.950 185 M CB 1.038 33.652 32.600 0.023 0.000 1.585 185 M HN 0.556 8.846 8.290 -0.000 0.000 0.490 186 S N 0.216 115.938 115.700 0.037 0.000 2.560 186 S HA 0.197 4.652 4.470 -0.024 0.000 0.284 186 S C 1.164 175.777 174.600 0.021 0.000 1.327 186 S CA -0.399 57.827 58.200 0.042 0.000 1.055 186 S CB 0.269 63.495 63.200 0.044 0.000 0.868 186 S HN 0.585 8.895 8.310 -0.000 0.000 0.506 187 L N 3.703 124.935 121.223 0.016 0.000 2.156 187 L HA -0.001 4.325 4.340 -0.024 0.000 0.208 187 L C 2.449 179.310 176.870 -0.015 0.000 1.095 187 L CA 1.082 55.919 54.840 -0.005 0.000 0.770 187 L CB -0.596 41.452 42.059 -0.018 0.000 0.914 187 L HN 0.704 8.934 8.230 -0.000 0.000 0.439 188 N N -0.304 118.389 118.700 -0.012 0.000 2.251 188 N HA -0.124 4.601 4.740 -0.024 0.000 0.181 188 N C 0.157 175.663 175.510 -0.008 0.000 1.019 188 N CA 0.836 53.878 53.050 -0.014 0.000 0.862 188 N CB 0.348 38.826 38.487 -0.015 0.000 0.992 188 N HN 0.144 8.524 8.380 -0.000 0.000 0.429 189 D N -1.106 119.295 120.400 0.001 0.000 2.421 189 D HA 0.344 4.969 4.640 -0.024 0.000 0.254 189 D C -2.189 174.111 176.300 -0.000 0.000 1.238 189 D CA -2.263 51.736 54.000 -0.001 0.000 0.919 189 D CB 1.595 42.397 40.800 0.004 0.000 1.152 189 D HN -0.045 8.325 8.370 -0.000 0.000 0.552 190 P HA -0.132 4.288 4.420 -0.000 0.000 0.218 190 P C 1.174 178.467 177.300 -0.010 0.000 1.146 190 P CA 1.001 64.092 63.100 -0.015 0.000 0.820 190 P CB 0.244 31.924 31.700 -0.034 0.000 0.778 191 L N -2.114 119.103 121.223 -0.009 0.000 2.270 191 L HA 0.012 4.338 4.340 -0.024 0.000 0.210 191 L C 1.122 177.995 176.870 0.004 0.000 1.104 191 L CA 0.626 55.463 54.840 -0.005 0.000 0.804 191 L CB -0.462 41.592 42.059 -0.007 0.000 0.937 191 L HN -0.075 8.155 8.230 -0.000 0.000 0.450 192 K N 1.386 121.792 120.400 0.009 0.000 2.218 192 K HA 0.155 4.460 4.320 -0.024 0.000 0.276 192 K C 0.044 176.658 176.600 0.023 0.000 1.022 192 K CA -0.301 55.996 56.287 0.017 0.000 0.946 192 K CB 1.161 33.674 32.500 0.021 0.000 1.000 192 K HN -0.114 8.136 8.250 -0.000 0.000 0.468 193 K N 2.874 123.289 120.400 0.024 0.000 2.326 193 K HA 0.058 4.364 4.320 -0.024 0.000 0.275 193 K C 0.022 176.644 176.600 0.038 0.000 1.018 193 K CA -0.214 56.090 56.287 0.029 0.000 0.962 193 K CB 0.639 33.154 32.500 0.025 0.000 0.953 193 K HN 0.542 8.792 8.250 -0.000 0.000 0.475 194 M N 3.124 122.753 119.600 0.047 0.000 2.269 194 M HA -0.019 4.446 4.480 -0.024 0.000 0.350 194 M C -0.810 175.510 176.300 0.032 0.000 1.429 194 M CA 0.909 56.249 55.300 0.068 0.000 1.063 194 M CB 0.427 33.076 32.600 0.081 0.000 1.841 194 M HN 0.592 8.882 8.290 -0.000 0.000 0.455 195 S N 2.989 118.697 115.700 0.013 0.000 2.533 195 S HA 0.311 4.766 4.470 -0.024 0.000 0.271 195 S C 0.026 174.455 174.600 -0.286 0.000 1.143 195 S CA -0.850 57.299 58.200 -0.086 0.000 0.891 195 S CB 1.799 64.975 63.200 -0.040 0.000 1.105 195 S HN 0.864 9.174 8.310 -0.000 0.000 0.468 196 K N 2.277 122.424 120.400 -0.423 0.000 2.209 196 K HA 0.011 4.317 4.320 -0.024 0.000 0.204 196 K C 1.609 177.913 176.600 -0.493 0.000 1.048 196 K CA 2.265 58.096 56.287 -0.759 0.000 0.940 196 K CB -0.415 31.826 32.500 -0.432 0.000 0.729 196 K HN 0.564 8.814 8.250 -0.000 0.000 0.451 197 S N -0.263 115.308 115.700 -0.215 0.000 2.671 197 S HA 0.030 4.485 4.470 -0.024 0.000 0.220 197 S C 0.184 174.784 174.600 -0.000 0.000 0.951 197 S CA -0.517 57.635 58.200 -0.081 0.000 0.932 197 S CB -0.317 62.850 63.200 -0.055 0.000 0.777 197 S HN 0.256 8.566 8.310 -0.000 0.000 0.508 198 D N 2.742 123.168 120.400 0.045 0.000 2.383 198 D HA 0.177 4.803 4.640 -0.024 0.000 0.252 198 D C -1.525 174.884 176.300 0.181 0.000 1.166 198 D CA -1.653 52.429 54.000 0.137 0.000 0.879 198 D CB 1.632 42.564 40.800 0.221 0.000 1.164 198 D HN 0.050 8.420 8.370 -0.000 0.000 0.462 199 P HA -0.118 4.302 4.420 -0.000 0.000 0.215 199 P C 0.312 177.653 177.300 0.069 0.000 1.153 199 P CA 0.656 63.801 63.100 0.076 0.000 0.853 199 P CB 0.130 31.855 31.700 0.042 0.000 0.788 200 N N 0.154 118.884 118.700 0.050 0.000 2.420 200 N HA -0.020 4.705 4.740 -0.024 0.000 0.262 200 N C 0.835 176.296 175.510 -0.080 0.000 1.144 200 N CA 0.325 53.371 53.050 -0.007 0.000 0.952 200 N CB 0.480 38.960 38.487 -0.011 0.000 1.081 200 N HN -0.145 8.235 8.380 -0.000 0.000 0.480 201 Q N 2.543 122.246 119.800 -0.160 0.000 2.364 201 Q HA -0.051 4.275 4.340 -0.024 0.000 0.209 201 Q C 0.828 176.487 176.000 -0.568 0.000 0.977 201 Q CA 1.457 57.007 55.803 -0.420 0.000 0.885 201 Q CB 0.189 28.784 28.738 -0.239 0.000 0.941 201 Q HN 0.595 8.865 8.270 -0.000 0.000 0.464 202 K N -0.990 119.228 120.400 -0.304 0.000 2.400 202 K HA 0.166 4.472 4.320 -0.024 0.000 0.194 202 K C 1.756 178.245 176.600 -0.184 0.000 1.033 202 K CA 0.537 56.689 56.287 -0.226 0.000 1.021 202 K CB 0.225 32.649 32.500 -0.126 0.000 0.808 202 K HN 0.122 8.372 8.250 -0.000 0.000 0.505 203 A N 1.365 124.089 122.820 -0.160 0.000 1.972 203 A HA -0.127 4.179 4.320 -0.024 0.000 0.219 203 A C 0.729 178.335 177.584 0.037 0.000 1.169 203 A CA 1.136 53.161 52.037 -0.021 0.000 0.635 203 A CB -0.483 18.568 19.000 0.084 0.000 0.810 203 A HN 0.416 8.566 8.150 -0.000 0.000 0.446 204 Y N -3.358 116.934 120.300 -0.012 0.000 2.570 204 Y HA 0.780 5.315 4.550 -0.024 0.000 0.345 204 Y C -0.850 175.038 175.900 -0.020 0.000 1.014 204 Y CA -2.252 55.840 58.100 -0.012 0.000 1.063 204 Y CB 0.888 39.342 38.460 -0.010 0.000 1.272 204 Y HN -0.060 8.220 8.280 -0.000 0.000 0.477 205 I N 2.663 123.349 120.570 0.194 0.000 2.404 205 I HA 0.387 4.542 4.170 -0.024 0.000 0.293 205 I C -0.201 176.011 176.117 0.158 0.000 0.992 205 I CA -0.783 60.581 61.300 0.107 0.000 1.149 205 I CB 2.274 40.292 38.000 0.030 0.000 1.315 205 I HN 0.893 9.103 8.210 -0.000 0.000 0.446 206 T N 3.848 118.478 114.554 0.128 0.000 2.902 206 T HA 0.445 4.781 4.350 -0.024 0.000 0.283 206 T C 1.110 175.774 174.700 -0.060 0.000 1.009 206 T CA -0.788 61.335 62.100 0.039 0.000 1.051 206 T CB 1.273 70.169 68.868 0.046 0.000 0.999 206 T HN 0.474 8.714 8.240 -0.000 0.000 0.474 207 L N 1.757 122.899 121.223 -0.135 0.000 2.261 207 L HA 0.011 4.337 4.340 -0.024 0.000 0.216 207 L C 1.955 178.688 176.870 -0.227 0.000 1.114 207 L CA 1.050 55.758 54.840 -0.220 0.000 0.777 207 L CB -0.556 41.308 42.059 -0.325 0.000 0.910 207 L HN 0.665 8.895 8.230 -0.000 0.000 0.440 208 L N -1.129 119.961 121.223 -0.221 0.000 2.628 208 L HA 0.126 4.451 4.340 -0.024 0.000 0.229 208 L C -0.015 176.809 176.870 -0.076 0.000 1.137 208 L CA -0.427 54.289 54.840 -0.205 0.000 0.909 208 L CB -0.196 41.675 42.059 -0.315 0.000 1.137 208 L HN 0.081 8.311 8.230 -0.000 0.000 0.470 209 D N 1.743 122.105 120.400 -0.064 0.000 2.488 209 D HA 0.015 4.641 4.640 -0.024 0.000 0.238 209 D C 0.518 176.799 176.300 -0.031 0.000 1.138 209 D CA 0.504 54.482 54.000 -0.037 0.000 0.873 209 D CB 0.816 41.593 40.800 -0.039 0.000 1.183 209 D HN 0.015 8.385 8.370 -0.000 0.000 0.458 210 E N 2.805 122.991 120.200 -0.023 0.000 2.343 210 E HA 0.100 4.436 4.350 -0.024 0.000 0.269 210 E C -1.483 175.099 176.600 -0.030 0.000 1.047 210 E CA -1.675 54.713 56.400 -0.019 0.000 0.874 210 E CB 0.412 30.099 29.700 -0.021 0.000 1.033 210 E HN 0.144 8.504 8.360 -0.000 0.000 0.409 211 P HA -0.234 4.186 4.420 -0.000 0.000 0.216 211 P C 1.272 178.549 177.300 -0.038 0.000 1.167 211 P CA 1.495 64.574 63.100 -0.035 0.000 0.914 211 P CB 0.227 31.910 31.700 -0.029 0.000 0.793 212 K N -0.503 119.877 120.400 -0.033 0.000 2.049 212 K HA -0.239 4.067 4.320 -0.024 0.000 0.219 212 K C 2.045 178.622 176.600 -0.039 0.000 1.056 212 K CA 1.820 58.087 56.287 -0.033 0.000 0.946 212 K CB -0.966 31.517 32.500 -0.030 0.000 0.723 212 K HN 0.265 8.515 8.250 -0.000 0.000 0.453 213 Q N 0.348 120.124 119.800 -0.041 0.000 2.123 213 Q HA -0.028 4.297 4.340 -0.024 0.000 0.199 213 Q C 2.486 178.452 176.000 -0.057 0.000 0.966 213 Q CA 0.767 56.541 55.803 -0.049 0.000 0.845 213 Q CB -0.519 28.189 28.738 -0.050 0.000 0.907 213 Q HN 0.330 8.600 8.270 -0.000 0.000 0.439 214 L N 1.005 122.196 121.223 -0.054 0.000 2.021 214 L HA -0.264 4.061 4.340 -0.024 0.000 0.215 214 L C 2.593 179.425 176.870 -0.065 0.000 1.074 214 L CA 1.650 56.454 54.840 -0.060 0.000 0.760 214 L CB -0.315 41.709 42.059 -0.059 0.000 0.889 214 L HN 0.318 8.548 8.230 -0.000 0.000 0.433 215 E N -0.143 120.022 120.200 -0.059 0.000 2.023 215 E HA -0.310 4.026 4.350 -0.024 0.000 0.196 215 E C 2.242 178.810 176.600 -0.054 0.000 1.003 215 E CA 1.605 57.970 56.400 -0.059 0.000 0.809 215 E CB -0.004 29.667 29.700 -0.048 0.000 0.755 215 E HN 0.269 8.629 8.360 -0.000 0.000 0.449 216 K N 0.701 121.072 120.400 -0.048 0.000 2.059 216 K HA -0.243 4.062 4.320 -0.024 0.000 0.212 216 K C 2.057 178.626 176.600 -0.052 0.000 1.050 216 K CA 1.995 58.255 56.287 -0.045 0.000 0.927 216 K CB 0.012 32.485 32.500 -0.046 0.000 0.714 216 K HN -0.027 8.223 8.250 -0.000 0.000 0.447 217 K N 0.203 120.564 120.400 -0.065 0.000 2.097 217 K HA -0.115 4.191 4.320 -0.024 0.000 0.206 217 K C 2.114 178.678 176.600 -0.060 0.000 1.049 217 K CA 1.527 57.770 56.287 -0.073 0.000 0.933 217 K CB -0.103 32.341 32.500 -0.093 0.000 0.717 217 K HN 0.209 8.459 8.250 -0.000 0.000 0.442 218 I N 1.176 121.709 120.570 -0.061 0.000 2.286 218 I HA -0.250 3.906 4.170 -0.024 0.000 0.245 218 I C 1.932 178.023 176.117 -0.044 0.000 1.104 218 I CA 1.277 62.540 61.300 -0.062 0.000 1.397 218 I CB -0.052 37.893 38.000 -0.091 0.000 1.072 218 I HN 0.091 8.301 8.210 -0.000 0.000 0.417 219 K N 0.321 120.699 120.400 -0.036 0.000 2.217 219 K HA -0.069 4.237 4.320 -0.024 0.000 0.202 219 K C 1.738 178.336 176.600 -0.003 0.000 1.051 219 K CA 1.519 57.799 56.287 -0.012 0.000 0.952 219 K CB -0.098 32.396 32.500 -0.010 0.000 0.736 219 K HN 0.330 8.580 8.250 -0.000 0.000 0.453 220 S N -0.075 115.615 115.700 -0.017 0.000 2.572 220 S HA 0.286 4.742 4.470 -0.024 0.000 0.228 220 S C 0.448 175.036 174.600 -0.021 0.000 0.963 220 S CA -0.707 57.484 58.200 -0.015 0.000 0.939 220 S CB 0.314 63.500 63.200 -0.023 0.000 0.804 220 S HN 0.161 8.471 8.310 -0.000 0.000 0.480 221 A N 1.777 124.583 122.820 -0.023 0.000 2.454 221 A HA 0.547 4.852 4.320 -0.024 0.000 0.260 221 A C 0.483 178.049 177.584 -0.031 0.000 1.106 221 A CA -0.400 51.620 52.037 -0.028 0.000 0.780 221 A CB 0.036 19.020 19.000 -0.026 0.000 1.044 221 A HN 0.401 8.551 8.150 -0.000 0.000 0.498 222 V N 3.371 123.266 119.914 -0.031 0.000 2.814 222 V HA 0.221 4.326 4.120 -0.024 0.000 0.307 222 V C 1.300 177.353 176.094 -0.068 0.000 1.089 222 V CA 1.421 63.700 62.300 -0.035 0.000 1.212 222 V CB 0.381 32.188 31.823 -0.028 0.000 0.912 222 V HN 1.282 9.472 8.190 -0.000 0.000 0.497 223 T N 0.885 115.394 114.554 -0.075 0.000 2.544 223 T HA 0.449 4.785 4.350 -0.024 0.000 0.231 223 T C -0.453 174.197 174.700 -0.083 0.000 0.794 223 T CA -0.477 61.526 62.100 -0.161 0.000 1.261 223 T CB 1.566 70.263 68.868 -0.285 0.000 1.525 223 T HN 0.560 8.800 8.240 -0.000 0.000 0.477 224 D N -1.120 119.267 120.400 -0.022 0.000 2.758 224 D HA 0.546 5.172 4.640 -0.024 0.000 0.262 224 D C 0.321 176.762 176.300 0.235 0.000 1.113 224 D CA -0.443 53.619 54.000 0.104 0.000 1.114 224 D CB 2.168 43.041 40.800 0.122 0.000 1.363 224 D HN 0.476 8.846 8.370 -0.000 0.000 0.617 225 S N -0.938 114.863 115.700 0.167 0.000 2.559 225 S HA 0.038 4.494 4.470 -0.024 0.000 0.226 225 S C 0.907 175.520 174.600 0.022 0.000 1.030 225 S CA -0.094 58.171 58.200 0.108 0.000 0.956 225 S CB 0.051 63.278 63.200 0.044 0.000 0.900 225 S HN 0.305 8.615 8.310 -0.000 0.000 0.510 226 E N 1.343 121.580 120.200 0.062 0.000 2.187 226 E HA -0.126 4.209 4.350 -0.024 0.000 0.199 226 E C 1.708 178.230 176.600 -0.129 0.000 1.004 226 E CA 1.204 57.603 56.400 -0.002 0.000 0.813 226 E CB -0.688 29.041 29.700 0.048 0.000 0.736 226 E HN 0.721 9.081 8.360 -0.000 0.000 0.468 227 G N 0.698 109.269 108.800 -0.380 0.000 2.179 227 G HA2 -0.305 3.641 3.960 -0.024 0.000 0.260 227 G HA3 -0.305 3.641 3.960 -0.024 0.000 0.260 227 G C 0.361 174.952 174.900 -0.515 0.000 0.977 227 G CA 0.463 45.111 45.100 -0.754 0.000 0.641 227 G HN 0.281 8.571 8.290 -0.000 0.000 0.533 228 I N 1.372 121.832 120.570 -0.183 0.000 2.355 228 I HA 0.345 4.501 4.170 -0.024 0.000 0.288 228 I C 0.567 176.735 176.117 0.085 0.000 0.999 228 I CA -1.084 60.197 61.300 -0.032 0.000 1.163 228 I CB 2.040 40.033 38.000 -0.012 0.000 1.316 228 I HN -0.129 8.081 8.210 -0.000 0.000 0.454 229 V N 7.357 127.285 119.914 0.023 0.000 2.359 229 V HA 0.104 4.210 4.120 -0.024 0.000 0.248 229 V C 0.324 176.395 176.094 -0.038 0.000 1.091 229 V CA 0.306 62.532 62.300 -0.124 0.000 1.103 229 V CB -0.626 30.978 31.823 -0.366 0.000 1.176 229 V HN 0.659 8.849 8.190 -0.000 0.000 0.488 230 K N 4.140 124.536 120.400 -0.007 0.000 2.480 230 K HA 0.591 4.897 4.320 -0.024 0.000 0.258 230 K C -1.621 175.035 176.600 0.092 0.000 0.990 230 K CA -0.878 55.443 56.287 0.055 0.000 0.857 230 K CB 2.474 35.004 32.500 0.050 0.000 1.384 230 K HN 0.332 8.582 8.250 -0.000 0.000 0.446 231 F N 2.753 122.693 119.950 -0.016 0.000 2.444 231 F HA 0.389 4.901 4.527 -0.024 0.000 0.342 231 F C -1.484 174.313 175.800 -0.005 0.000 1.121 231 F CA -0.303 57.691 58.000 -0.010 0.000 0.997 231 F CB 1.096 40.097 39.000 0.002 0.000 1.130 231 F HN 0.559 8.859 8.300 -0.000 0.000 0.454 232 D N 4.455 124.567 120.400 -0.480 0.000 2.931 232 D HA 0.157 4.783 4.640 -0.024 0.000 0.215 232 D C -0.196 175.778 176.300 -0.544 0.000 1.297 232 D CA -0.836 52.912 54.000 -0.421 0.000 0.892 232 D CB 1.689 42.421 40.800 -0.114 0.000 1.642 232 D HN 0.497 8.867 8.370 -0.000 0.000 0.560 233 K N 1.123 121.203 120.400 -0.532 0.000 2.001 233 K HA -0.081 4.225 4.320 -0.024 0.000 0.208 233 K C 0.804 177.285 176.600 -0.199 0.000 1.048 233 K CA 1.088 57.143 56.287 -0.388 0.000 0.932 233 K CB 0.188 32.566 32.500 -0.203 0.000 0.715 233 K HN 0.484 8.734 8.250 -0.000 0.000 0.437 234 E N -0.043 120.082 120.200 -0.126 0.000 2.494 234 E HA -0.013 4.322 4.350 -0.024 0.000 0.193 234 E C 0.470 177.027 176.600 -0.072 0.000 1.074 234 E CA 0.044 56.398 56.400 -0.075 0.000 0.867 234 E CB 0.314 29.989 29.700 -0.041 0.000 0.924 234 E HN 0.283 8.643 8.360 -0.000 0.000 0.502 235 N N -0.019 118.622 118.700 -0.098 0.000 2.211 235 N HA 0.089 4.815 4.740 -0.024 0.000 0.216 235 N C -0.251 175.208 175.510 -0.084 0.000 1.240 235 N CA 0.261 53.266 53.050 -0.075 0.000 0.895 235 N CB 0.929 39.381 38.487 -0.058 0.000 1.102 235 N HN -0.071 8.309 8.380 -0.000 0.000 0.498 236 K N 0.856 121.177 120.400 -0.131 0.000 3.157 236 K HA 0.248 4.553 4.320 -0.024 0.000 0.173 236 K C -2.201 174.297 176.600 -0.169 0.000 1.127 236 K CA -1.072 55.137 56.287 -0.130 0.000 0.849 236 K CB 2.382 34.805 32.500 -0.129 0.000 1.038 236 K HN -0.123 8.127 8.250 -0.000 0.000 0.603 237 P HA -0.089 4.331 4.420 -0.000 0.000 0.220 237 P C 1.339 178.572 177.300 -0.112 0.000 1.152 237 P CA 0.941 63.959 63.100 -0.136 0.000 0.812 237 P CB 0.358 32.004 31.700 -0.090 0.000 0.792 238 G N 0.070 108.809 108.800 -0.102 0.000 2.394 238 G HA2 -0.160 3.785 3.960 -0.024 0.000 0.215 238 G HA3 -0.160 3.785 3.960 -0.024 0.000 0.215 238 G C 1.679 176.516 174.900 -0.105 0.000 1.165 238 G CA 0.444 45.491 45.100 -0.089 0.000 0.784 238 G HN 0.158 8.448 8.290 -0.000 0.000 0.535 239 V N 0.905 120.715 119.914 -0.173 0.000 2.379 239 V HA -0.142 3.964 4.120 -0.024 0.000 0.245 239 V C 3.130 179.173 176.094 -0.085 0.000 1.044 239 V CA 2.120 64.294 62.300 -0.210 0.000 1.036 239 V CB -0.259 31.357 31.823 -0.346 0.000 0.664 239 V HN 0.354 8.544 8.190 -0.000 0.000 0.453 240 S N 0.482 116.103 115.700 -0.131 0.000 2.365 240 S HA -0.287 4.169 4.470 -0.024 0.000 0.225 240 S C 1.897 176.544 174.600 0.078 0.000 1.039 240 S CA 2.181 60.303 58.200 -0.130 0.000 1.033 240 S CB -0.580 62.298 63.200 -0.536 0.000 0.887 240 S HN 0.704 9.014 8.310 -0.000 0.000 0.447 241 N N 1.336 120.052 118.700 0.028 0.000 2.084 241 N HA -0.029 4.697 4.740 -0.024 0.000 0.190 241 N C 1.597 177.186 175.510 0.131 0.000 1.030 241 N CA 1.311 54.409 53.050 0.080 0.000 0.849 241 N CB -0.484 38.023 38.487 0.034 0.000 1.012 241 N HN 0.337 8.717 8.380 -0.000 0.000 0.423 242 L N 0.100 121.404 121.223 0.136 0.000 2.012 242 L HA -0.185 4.141 4.340 -0.024 0.000 0.210 242 L C 2.306 179.375 176.870 0.332 0.000 1.073 242 L CA 0.971 55.935 54.840 0.207 0.000 0.748 242 L CB -0.567 41.668 42.059 0.293 0.000 0.891 242 L HN 0.284 8.514 8.230 -0.000 0.000 0.431 243 L N -0.784 120.679 121.223 0.399 0.000 2.079 243 L HA -0.229 4.097 4.340 -0.024 0.000 0.210 243 L C 2.588 179.631 176.870 0.289 0.000 1.081 243 L CA 1.551 56.634 54.840 0.406 0.000 0.752 243 L CB -0.769 41.495 42.059 0.340 0.000 0.896 243 L HN 0.304 8.534 8.230 -0.000 0.000 0.433 244 T N -0.093 114.615 114.554 0.256 0.000 2.821 244 T HA -0.094 4.242 4.350 -0.024 0.000 0.267 244 T C 1.908 176.697 174.700 0.150 0.000 1.046 244 T CA 1.115 63.325 62.100 0.183 0.000 1.139 244 T CB -0.099 68.880 68.868 0.185 0.000 0.871 244 T HN 0.195 8.435 8.240 -0.000 0.000 0.454 245 I N -0.211 120.448 120.570 0.149 0.000 2.142 245 I HA -0.190 3.966 4.170 -0.024 0.000 0.240 245 I C 2.215 178.421 176.117 0.149 0.000 1.078 245 I CA 1.605 62.972 61.300 0.111 0.000 1.343 245 I CB -0.534 37.505 38.000 0.066 0.000 1.046 245 I HN 0.263 8.473 8.210 -0.000 0.000 0.405 246 Y N 1.268 121.584 120.300 0.027 0.000 2.069 246 Y HA -0.420 4.115 4.550 -0.024 0.000 0.278 246 Y C 3.136 179.060 175.900 0.040 0.000 1.175 246 Y CA 1.804 59.907 58.100 0.006 0.000 1.134 246 Y CB -0.093 38.368 38.460 0.001 0.000 0.965 246 Y HN 0.175 8.455 8.280 -0.000 0.000 0.498 247 S N 0.300 116.160 115.700 0.266 0.000 2.380 247 S HA -0.266 4.190 4.470 -0.024 0.000 0.229 247 S C 1.775 176.440 174.600 0.108 0.000 1.050 247 S CA 2.061 60.341 58.200 0.133 0.000 1.100 247 S CB -0.579 62.670 63.200 0.081 0.000 0.984 247 S HN 0.460 8.770 8.310 -0.000 0.000 0.434 248 I N 1.032 121.657 120.570 0.092 0.000 2.233 248 I HA -0.032 4.124 4.170 -0.024 0.000 0.243 248 I C 2.351 178.509 176.117 0.068 0.000 1.093 248 I CA 1.087 62.419 61.300 0.053 0.000 1.380 248 I CB -1.265 36.749 38.000 0.023 0.000 1.067 248 I HN 0.367 8.577 8.210 -0.000 0.000 0.413 249 L N 0.217 121.495 121.223 0.092 0.000 2.240 249 L HA -0.030 4.295 4.340 -0.024 0.000 0.211 249 L C 2.227 179.152 176.870 0.091 0.000 1.106 249 L CA 1.140 56.032 54.840 0.086 0.000 0.793 249 L CB -0.637 41.458 42.059 0.059 0.000 0.927 249 L HN 0.278 8.508 8.230 -0.000 0.000 0.446 250 G N -1.544 107.345 108.800 0.147 0.000 3.088 250 G HA2 -0.067 3.878 3.960 -0.024 0.000 0.217 250 G HA3 -0.067 3.878 3.960 -0.024 0.000 0.217 250 G C 0.376 175.351 174.900 0.125 0.000 1.159 250 G CA -0.254 44.954 45.100 0.180 0.000 0.760 250 G HN 0.409 8.699 8.290 -0.000 0.000 0.550 251 N N 0.780 119.534 118.700 0.090 0.000 2.708 251 N HA -0.148 4.578 4.740 -0.024 0.000 0.255 251 N C 0.176 175.712 175.510 0.043 0.000 1.046 251 N CA 1.627 54.709 53.050 0.055 0.000 0.715 251 N CB -1.679 36.835 38.487 0.045 0.000 0.895 251 N HN 0.727 9.107 8.380 -0.000 0.000 0.545 252 T N -4.288 110.290 114.554 0.040 0.000 2.787 252 T HA 0.702 5.037 4.350 -0.024 0.000 0.297 252 T C 0.215 174.914 174.700 -0.003 0.000 1.221 252 T CA -0.261 61.846 62.100 0.012 0.000 1.006 252 T CB 2.437 71.304 68.868 -0.002 0.000 1.328 252 T HN 0.183 8.423 8.240 -0.000 0.000 0.509 253 T N -1.133 113.407 114.554 -0.023 0.000 2.944 253 T HA 0.592 4.928 4.350 -0.024 0.000 0.284 253 T C 1.431 176.102 174.700 -0.048 0.000 1.010 253 T CA -1.032 61.045 62.100 -0.039 0.000 1.025 253 T CB 0.680 69.521 68.868 -0.046 0.000 1.079 253 T HN 0.566 8.806 8.240 -0.000 0.000 0.516 254 I N 1.191 121.718 120.570 -0.071 0.000 2.179 254 I HA -0.142 4.014 4.170 -0.024 0.000 0.242 254 I C 2.897 178.988 176.117 -0.044 0.000 1.088 254 I CA 1.459 62.720 61.300 -0.065 0.000 1.357 254 I CB -0.324 37.570 38.000 -0.176 0.000 1.051 254 I HN 0.841 9.051 8.210 -0.000 0.000 0.409 255 E N 1.498 121.658 120.200 -0.066 0.000 2.153 255 E HA -0.265 4.070 4.350 -0.024 0.000 0.194 255 E C 1.615 178.203 176.600 -0.021 0.000 0.988 255 E CA 1.355 57.732 56.400 -0.038 0.000 0.811 255 E CB -0.587 29.084 29.700 -0.049 0.000 0.746 255 E HN 0.595 8.955 8.360 -0.000 0.000 0.466 256 E N 0.964 121.146 120.200 -0.031 0.000 2.077 256 E HA -0.104 4.231 4.350 -0.024 0.000 0.193 256 E C 2.430 179.012 176.600 -0.029 0.000 0.989 256 E CA 1.013 57.394 56.400 -0.032 0.000 0.800 256 E CB -0.189 29.488 29.700 -0.038 0.000 0.746 256 E HN 0.242 8.602 8.360 -0.000 0.000 0.452 257 L N 1.054 122.262 121.223 -0.024 0.000 2.083 257 L HA -0.206 4.120 4.340 -0.024 0.000 0.209 257 L C 2.342 179.294 176.870 0.137 0.000 1.083 257 L CA 1.189 56.044 54.840 0.024 0.000 0.752 257 L CB -0.285 41.754 42.059 -0.033 0.000 0.899 257 L HN 0.141 8.371 8.230 -0.000 0.000 0.433 258 E N 0.028 120.278 120.200 0.085 0.000 2.038 258 E HA -0.273 4.063 4.350 -0.024 0.000 0.195 258 E C 2.308 178.947 176.600 0.064 0.000 1.000 258 E CA 1.256 57.709 56.400 0.087 0.000 0.803 258 E CB -0.270 29.463 29.700 0.056 0.000 0.750 258 E HN 0.515 8.875 8.360 -0.000 0.000 0.448 259 A N 1.660 124.493 122.820 0.022 0.000 1.958 259 A HA -0.290 4.016 4.320 -0.024 0.000 0.221 259 A C 2.076 179.637 177.584 -0.038 0.000 1.178 259 A CA 1.964 53.997 52.037 -0.006 0.000 0.642 259 A CB -0.480 18.508 19.000 -0.019 0.000 0.816 259 A HN 0.101 8.251 8.150 -0.000 0.000 0.453 260 K N -2.296 118.061 120.400 -0.072 0.000 2.228 260 K HA -0.061 4.245 4.320 -0.024 0.000 0.202 260 K C 0.132 176.490 176.600 -0.405 0.000 1.051 260 K CA 0.850 56.993 56.287 -0.240 0.000 0.960 260 K CB -0.062 32.248 32.500 -0.317 0.000 0.743 260 K HN 0.540 8.790 8.250 -0.000 0.000 0.458 261 Y N 0.563 120.890 120.300 0.045 0.000 2.751 261 Y HA 0.135 4.671 4.550 -0.024 0.000 0.289 261 Y C 1.135 177.051 175.900 0.027 0.000 1.110 261 Y CA -0.440 57.702 58.100 0.069 0.000 1.251 261 Y CB 0.571 39.104 38.460 0.121 0.000 1.178 261 Y HN 0.133 8.413 8.280 -0.000 0.000 0.540 262 E N 0.900 121.143 120.200 0.070 0.000 2.085 262 E HA -0.114 4.221 4.350 -0.024 0.000 0.194 262 E C 1.946 178.571 176.600 0.041 0.000 0.994 262 E CA 1.530 57.957 56.400 0.044 0.000 0.801 262 E CB -0.202 29.505 29.700 0.012 0.000 0.743 262 E HN 0.419 8.779 8.360 -0.000 0.000 0.453 263 G N -0.281 108.543 108.800 0.040 0.000 4.125 263 G HA2 0.328 4.274 3.960 -0.024 0.000 0.301 263 G HA3 0.328 4.274 3.960 -0.024 0.000 0.301 263 G C -0.577 174.356 174.900 0.054 0.000 1.273 263 G CA -0.391 44.729 45.100 0.032 0.000 1.095 263 G HN -0.031 8.259 8.290 -0.000 0.000 0.582 264 K N -0.929 119.524 120.400 0.088 0.000 2.533 264 K HA 0.684 4.990 4.320 -0.024 0.000 0.272 264 K C -0.013 176.629 176.600 0.070 0.000 0.985 264 K CA -0.458 55.907 56.287 0.130 0.000 0.876 264 K CB 2.280 34.958 32.500 0.296 0.000 1.452 264 K HN 0.153 8.403 8.250 -0.000 0.000 0.439 265 G N -0.276 108.551 108.800 0.046 0.000 2.568 265 G HA2 0.287 4.232 3.960 -0.024 0.000 0.313 265 G HA3 0.287 4.232 3.960 -0.024 0.000 0.313 265 G C -0.301 174.651 174.900 0.087 0.000 1.227 265 G CA -0.429 44.620 45.100 -0.085 0.000 0.979 265 G HN 0.516 8.806 8.290 -0.000 0.000 0.486 266 Y N 0.657 120.969 120.300 0.020 0.000 2.283 266 Y HA -0.143 4.393 4.550 -0.024 0.000 0.285 266 Y C 2.744 178.728 175.900 0.140 0.000 1.176 266 Y CA 1.060 59.202 58.100 0.070 0.000 1.229 266 Y CB -0.953 37.527 38.460 0.034 0.000 0.975 266 Y HN 0.520 8.800 8.280 -0.000 0.000 0.537 267 G N -0.694 108.246 108.800 0.234 0.000 2.408 267 G HA2 -0.231 3.715 3.960 -0.024 0.000 0.217 267 G HA3 -0.231 3.715 3.960 -0.024 0.000 0.217 267 G C 1.646 176.634 174.900 0.147 0.000 1.150 267 G CA 0.788 45.982 45.100 0.157 0.000 0.776 267 G HN 0.458 8.748 8.290 -0.000 0.000 0.542 268 E N -0.695 119.612 120.200 0.179 0.000 2.076 268 E HA -0.022 4.314 4.350 -0.024 0.000 0.190 268 E C 1.967 178.698 176.600 0.218 0.000 0.979 268 E CA 0.164 56.682 56.400 0.198 0.000 0.807 268 E CB -0.185 29.663 29.700 0.248 0.000 0.761 268 E HN 0.401 8.761 8.360 -0.000 0.000 0.454 269 F N 1.721 121.676 119.950 0.009 0.000 2.046 269 F HA -0.211 4.302 4.527 -0.024 0.000 0.297 269 F C 2.087 177.838 175.800 -0.082 0.000 1.123 269 F CA 1.800 59.667 58.000 -0.222 0.000 1.199 269 F CB -0.001 38.819 39.000 -0.300 0.000 0.972 269 F HN -0.155 8.145 8.300 -0.000 0.000 0.474 270 K N 0.045 120.482 120.400 0.061 0.000 2.063 270 K HA -0.148 4.157 4.320 -0.024 0.000 0.208 270 K C 2.308 178.833 176.600 -0.124 0.000 1.048 270 K CA 1.358 57.602 56.287 -0.072 0.000 0.928 270 K CB -0.947 31.591 32.500 0.063 0.000 0.713 270 K HN 0.507 8.757 8.250 -0.000 0.000 0.442 271 G N 1.206 109.983 108.800 -0.038 0.000 2.402 271 G HA2 -0.251 3.694 3.960 -0.024 0.000 0.216 271 G HA3 -0.251 3.694 3.960 -0.024 0.000 0.216 271 G C 0.967 175.824 174.900 -0.070 0.000 1.162 271 G CA 1.028 46.108 45.100 -0.035 0.000 0.777 271 G HN 0.181 8.471 8.290 -0.000 0.000 0.539 272 D N 0.041 120.405 120.400 -0.060 0.000 2.097 272 D HA -0.081 4.544 4.640 -0.024 0.000 0.197 272 D C 2.370 178.486 176.300 -0.307 0.000 0.984 272 D CA 0.411 54.373 54.000 -0.063 0.000 0.826 272 D CB -0.401 40.498 40.800 0.165 0.000 0.973 272 D HN 0.191 8.561 8.370 -0.000 0.000 0.460 273 L N 1.097 121.987 121.223 -0.556 0.000 2.042 273 L HA -0.108 4.217 4.340 -0.024 0.000 0.210 273 L C 2.040 178.645 176.870 -0.442 0.000 1.076 273 L CA 1.768 56.135 54.840 -0.790 0.000 0.749 273 L CB -1.095 40.471 42.059 -0.821 0.000 0.893 273 L HN -0.009 8.221 8.230 -0.000 0.000 0.432 274 A N -0.658 121.991 122.820 -0.285 0.000 1.873 274 A HA -0.299 4.007 4.320 -0.024 0.000 0.218 274 A C 2.306 179.793 177.584 -0.162 0.000 1.193 274 A CA 2.065 53.994 52.037 -0.181 0.000 0.629 274 A CB -0.824 18.104 19.000 -0.121 0.000 0.826 274 A HN 0.538 8.688 8.150 -0.000 0.000 0.447 275 E N -0.522 119.587 120.200 -0.151 0.000 2.107 275 E HA -0.060 4.275 4.350 -0.024 0.000 0.191 275 E C 1.876 178.405 176.600 -0.118 0.000 0.982 275 E CA 1.062 57.399 56.400 -0.106 0.000 0.809 275 E CB -0.387 29.272 29.700 -0.067 0.000 0.756 275 E HN 0.226 8.586 8.360 -0.000 0.000 0.459 276 V N -0.224 119.576 119.914 -0.190 0.000 2.252 276 V HA -0.305 3.800 4.120 -0.024 0.000 0.249 276 V C 2.333 178.345 176.094 -0.137 0.000 1.056 276 V CA 1.851 64.042 62.300 -0.182 0.000 1.022 276 V CB -0.532 31.071 31.823 -0.366 0.000 0.641 276 V HN 0.193 8.383 8.190 -0.000 0.000 0.445 277 V N -0.557 119.254 119.914 -0.170 0.000 2.343 277 V HA -0.228 3.878 4.120 -0.024 0.000 0.247 277 V C 2.388 178.432 176.094 -0.084 0.000 1.051 277 V CA 1.916 64.147 62.300 -0.116 0.000 1.036 277 V CB -0.440 31.308 31.823 -0.125 0.000 0.654 277 V HN 0.414 8.604 8.190 -0.000 0.000 0.451 278 V N 0.578 120.442 119.914 -0.084 0.000 2.332 278 V HA -0.286 3.819 4.120 -0.024 0.000 0.248 278 V C 2.195 178.260 176.094 -0.048 0.000 1.055 278 V CA 2.315 64.579 62.300 -0.061 0.000 1.038 278 V CB -0.816 30.974 31.823 -0.054 0.000 0.651 278 V HN 0.624 8.814 8.190 -0.000 0.000 0.450 279 N N -0.075 118.597 118.700 -0.047 0.000 2.270 279 N HA -0.055 4.671 4.740 -0.024 0.000 0.181 279 N C 1.885 177.381 175.510 -0.023 0.000 1.016 279 N CA 1.258 54.291 53.050 -0.029 0.000 0.870 279 N CB -0.042 38.432 38.487 -0.022 0.000 0.979 279 N HN 0.498 8.878 8.380 -0.000 0.000 0.431 280 A N 0.687 123.490 122.820 -0.028 0.000 1.969 280 A HA -0.033 4.273 4.320 -0.024 0.000 0.218 280 A C 1.909 179.469 177.584 -0.040 0.000 1.169 280 A CA 0.966 52.995 52.037 -0.014 0.000 0.635 280 A CB -0.136 18.866 19.000 0.004 0.000 0.810 280 A HN 0.085 8.235 8.150 -0.000 0.000 0.445 281 L N -1.081 120.105 121.223 -0.061 0.000 2.529 281 L HA 0.167 4.493 4.340 -0.024 0.000 0.223 281 L C 2.016 178.847 176.870 -0.065 0.000 1.113 281 L CA 1.242 56.026 54.840 -0.092 0.000 0.861 281 L CB -0.372 41.626 42.059 -0.102 0.000 1.012 281 L HN 0.335 8.565 8.230 -0.000 0.000 0.461 282 K N 1.029 121.407 120.400 -0.037 0.000 2.002 282 K HA -0.093 4.212 4.320 -0.024 0.000 0.209 282 K C -0.686 175.911 176.600 -0.005 0.000 1.048 282 K CA 1.648 57.928 56.287 -0.013 0.000 0.930 282 K CB -1.191 31.304 32.500 -0.007 0.000 0.714 282 K HN 0.144 8.394 8.250 -0.000 0.000 0.438 283 P HA -0.143 4.277 4.420 -0.000 0.000 0.217 283 P C 1.314 178.604 177.300 -0.017 0.000 1.150 283 P CA 1.471 64.568 63.100 -0.005 0.000 0.832 283 P CB -0.053 31.644 31.700 -0.005 0.000 0.787 284 I N -0.355 120.184 120.570 -0.051 0.000 2.226 284 I HA -0.257 3.898 4.170 -0.024 0.000 0.245 284 I C 2.862 178.935 176.117 -0.073 0.000 1.100 284 I CA 1.559 62.806 61.300 -0.087 0.000 1.374 284 I CB -0.757 37.138 38.000 -0.176 0.000 1.057 284 I HN -0.034 8.176 8.210 -0.000 0.000 0.413 285 Q N 0.495 120.258 119.800 -0.061 0.000 1.990 285 Q HA -0.212 4.114 4.340 -0.024 0.000 0.200 285 Q C 1.943 178.002 176.000 0.099 0.000 0.980 285 Q CA 1.567 57.354 55.803 -0.027 0.000 0.832 285 Q CB -0.200 28.573 28.738 0.058 0.000 0.897 285 Q HN 0.397 8.667 8.270 -0.000 0.000 0.427 286 D N 0.287 120.756 120.400 0.114 0.000 2.170 286 D HA -0.224 4.402 4.640 -0.024 0.000 0.193 286 D C 1.836 178.204 176.300 0.113 0.000 1.004 286 D CA 1.447 55.527 54.000 0.134 0.000 0.860 286 D CB -0.131 40.710 40.800 0.069 0.000 0.931 286 D HN 0.127 8.497 8.370 -0.000 0.000 0.448 287 R N -1.151 119.380 120.500 0.051 0.000 2.100 287 R HA -0.106 4.219 4.340 -0.024 0.000 0.220 287 R C 2.322 178.615 176.300 -0.012 0.000 1.091 287 R CA 0.507 56.619 56.100 0.020 0.000 0.986 287 R CB -0.488 29.811 30.300 -0.002 0.000 0.888 287 R HN 0.149 8.419 8.270 -0.000 0.000 0.444 288 Y N 0.192 120.375 120.300 -0.194 0.000 2.062 288 Y HA -0.373 4.162 4.550 -0.024 0.000 0.276 288 Y C 1.505 177.231 175.900 -0.290 0.000 1.189 288 Y CA 2.314 60.218 58.100 -0.326 0.000 1.130 288 Y CB -0.435 37.672 38.460 -0.588 0.000 0.959 288 Y HN 0.133 8.413 8.280 -0.000 0.000 0.499 289 Y N 0.387 120.771 120.300 0.141 0.000 2.314 289 Y HA -0.159 4.377 4.550 -0.024 0.000 0.293 289 Y C 2.343 178.230 175.900 -0.023 0.000 1.129 289 Y CA 1.207 59.345 58.100 0.063 0.000 1.201 289 Y CB -0.551 37.971 38.460 0.103 0.000 0.999 289 Y HN 0.187 8.466 8.280 -0.000 0.000 0.541 290 E N 0.321 120.582 120.200 0.101 0.000 2.058 290 E HA -0.174 4.161 4.350 -0.024 0.000 0.194 290 E C 2.290 178.874 176.600 -0.026 0.000 0.997 290 E CA 1.166 57.588 56.400 0.036 0.000 0.801 290 E CB -0.725 28.989 29.700 0.023 0.000 0.746 290 E HN 0.463 8.823 8.360 -0.000 0.000 0.450 291 L N 0.021 121.186 121.223 -0.096 0.000 2.095 291 L HA -0.069 4.257 4.340 -0.024 0.000 0.204 291 L C 2.591 179.354 176.870 -0.178 0.000 1.080 291 L CA 0.265 55.022 54.840 -0.138 0.000 0.759 291 L CB -0.311 41.643 42.059 -0.175 0.000 0.914 291 L HN 0.058 8.288 8.230 -0.000 0.000 0.439 292 I N 0.214 120.606 120.570 -0.298 0.000 2.194 292 I HA -0.313 3.842 4.170 -0.024 0.000 0.246 292 I C 2.516 178.570 176.117 -0.105 0.000 1.093 292 I CA 1.732 62.863 61.300 -0.282 0.000 1.355 292 I CB -0.156 37.617 38.000 -0.379 0.000 1.046 292 I HN 0.236 8.446 8.210 -0.000 0.000 0.413 293 E N 0.391 120.564 120.200 -0.045 0.000 2.086 293 E HA -0.010 4.326 4.350 -0.024 0.000 0.190 293 E C 1.471 178.058 176.600 -0.021 0.000 0.975 293 E CA 0.791 57.184 56.400 -0.012 0.000 0.813 293 E CB -0.731 28.980 29.700 0.017 0.000 0.768 293 E HN 0.610 8.970 8.360 -0.000 0.000 0.457 294 S N 1.320 117.003 115.700 -0.028 0.000 2.580 294 S HA -0.073 4.383 4.470 -0.024 0.000 0.261 294 S C 1.134 175.719 174.600 -0.024 0.000 1.366 294 S CA 0.354 58.540 58.200 -0.022 0.000 0.996 294 S CB 0.757 63.943 63.200 -0.024 0.000 0.902 294 S HN 0.314 8.624 8.310 -0.000 0.000 0.566 295 E N -0.583 119.608 120.200 -0.016 0.000 2.452 295 E HA 0.024 4.359 4.350 -0.024 0.000 0.197 295 E C 1.497 178.089 176.600 -0.013 0.000 1.022 295 E CA 0.437 56.829 56.400 -0.013 0.000 0.890 295 E CB -0.266 29.430 29.700 -0.007 0.000 0.918 295 E HN 0.752 9.112 8.360 -0.000 0.000 0.496 296 E N 1.480 121.671 120.200 -0.015 0.000 2.147 296 E HA -0.241 4.094 4.350 -0.024 0.000 0.199 296 E C 1.885 178.473 176.600 -0.019 0.000 1.005 296 E CA 1.271 57.663 56.400 -0.014 0.000 0.810 296 E CB -0.307 29.384 29.700 -0.015 0.000 0.736 296 E HN 0.379 8.739 8.360 -0.000 0.000 0.460 297 L N 0.864 122.068 121.223 -0.033 0.000 2.046 297 L HA -0.170 4.155 4.340 -0.024 0.000 0.208 297 L C 1.590 178.446 176.870 -0.023 0.000 1.077 297 L CA 2.164 56.980 54.840 -0.040 0.000 0.747 297 L CB -0.594 41.424 42.059 -0.068 0.000 0.896 297 L HN 0.161 8.391 8.230 -0.000 0.000 0.432 298 D N -0.819 119.571 120.400 -0.017 0.000 2.117 298 D HA -0.171 4.454 4.640 -0.024 0.000 0.198 298 D C 2.263 178.566 176.300 0.005 0.000 0.982 298 D CA 1.017 55.014 54.000 -0.004 0.000 0.828 298 D CB 0.001 40.799 40.800 -0.003 0.000 0.967 298 D HN 0.388 8.758 8.370 -0.000 0.000 0.464 299 R N 0.273 120.774 120.500 0.003 0.000 2.073 299 R HA -0.096 4.229 4.340 -0.024 0.000 0.234 299 R C 2.380 178.688 176.300 0.014 0.000 1.134 299 R CA 0.605 56.710 56.100 0.009 0.000 0.952 299 R CB -0.122 30.181 30.300 0.006 0.000 0.850 299 R HN 0.163 8.433 8.270 -0.000 0.000 0.433 300 I N 1.165 121.740 120.570 0.009 0.000 2.163 300 I HA -0.283 3.872 4.170 -0.024 0.000 0.243 300 I C 2.327 178.462 176.117 0.031 0.000 1.085 300 I CA 1.573 62.882 61.300 0.014 0.000 1.347 300 I CB -0.985 37.017 38.000 0.003 0.000 1.044 300 I HN 0.207 8.417 8.210 -0.000 0.000 0.408 301 L N 0.115 121.356 121.223 0.029 0.000 2.141 301 L HA -0.202 4.124 4.340 -0.024 0.000 0.209 301 L C 2.152 179.061 176.870 0.065 0.000 1.094 301 L CA 1.028 55.899 54.840 0.052 0.000 0.763 301 L CB -0.582 41.497 42.059 0.034 0.000 0.908 301 L HN 0.186 8.416 8.230 -0.000 0.000 0.437 302 D N -0.098 120.329 120.400 0.045 0.000 2.097 302 D HA -0.226 4.399 4.640 -0.024 0.000 0.195 302 D C 2.044 178.371 176.300 0.046 0.000 0.989 302 D CA 1.147 55.173 54.000 0.043 0.000 0.827 302 D CB -0.042 40.776 40.800 0.029 0.000 0.966 302 D HN 0.335 8.705 8.370 -0.000 0.000 0.456 303 E N 0.095 120.320 120.200 0.041 0.000 2.110 303 E HA -0.118 4.218 4.350 -0.024 0.000 0.193 303 E C 2.123 178.752 176.600 0.047 0.000 0.988 303 E CA 1.111 57.533 56.400 0.037 0.000 0.804 303 E CB -0.185 29.533 29.700 0.030 0.000 0.745 303 E HN 0.279 8.639 8.360 -0.000 0.000 0.458 304 G N 0.617 109.461 108.800 0.074 0.000 2.418 304 G HA2 -0.243 3.702 3.960 -0.024 0.000 0.217 304 G HA3 -0.243 3.702 3.960 -0.024 0.000 0.217 304 G C 1.624 176.570 174.900 0.077 0.000 1.158 304 G CA 0.846 46.013 45.100 0.113 0.000 0.771 304 G HN 0.390 8.680 8.290 -0.000 0.000 0.545 305 A N 0.646 123.527 122.820 0.101 0.000 1.930 305 A HA 0.029 4.335 4.320 -0.024 0.000 0.217 305 A C 2.135 179.724 177.584 0.009 0.000 1.175 305 A CA 1.857 53.932 52.037 0.064 0.000 0.627 305 A CB -0.339 18.725 19.000 0.107 0.000 0.815 305 A HN 0.446 8.596 8.150 -0.000 0.000 0.443 306 E N -0.571 119.643 120.200 0.023 0.000 2.051 306 E HA -0.179 4.157 4.350 -0.024 0.000 0.192 306 E C 2.401 179.009 176.600 0.013 0.000 0.991 306 E CA 0.965 57.377 56.400 0.019 0.000 0.799 306 E CB -0.155 29.560 29.700 0.024 0.000 0.748 306 E HN 0.479 8.839 8.360 -0.000 0.000 0.449 307 R N 0.145 120.653 120.500 0.013 0.000 2.080 307 R HA -0.146 4.179 4.340 -0.024 0.000 0.236 307 R C 2.371 178.696 176.300 0.042 0.000 1.137 307 R CA 1.285 57.405 56.100 0.032 0.000 0.943 307 R CB -0.374 29.949 30.300 0.037 0.000 0.846 307 R HN 0.119 8.389 8.270 -0.000 0.000 0.431 308 A N 1.393 124.171 122.820 -0.070 0.000 1.933 308 A HA -0.169 4.136 4.320 -0.024 0.000 0.218 308 A C 1.831 179.430 177.584 0.024 0.000 1.175 308 A CA 1.367 53.339 52.037 -0.108 0.000 0.628 308 A CB -0.447 18.004 19.000 -0.916 0.000 0.814 308 A HN 0.298 8.448 8.150 -0.000 0.000 0.444 309 N N -0.427 118.267 118.700 -0.011 0.000 2.080 309 N HA -0.156 4.570 4.740 -0.024 0.000 0.189 309 N C 1.921 177.432 175.510 0.002 0.000 1.036 309 N CA 1.389 54.445 53.050 0.010 0.000 0.846 309 N CB -0.414 38.084 38.487 0.019 0.000 1.015 309 N HN 0.548 8.928 8.380 -0.000 0.000 0.423 310 R N 0.348 120.857 120.500 0.015 0.000 2.113 310 R HA -0.132 4.194 4.340 -0.024 0.000 0.244 310 R C 1.884 178.191 176.300 0.011 0.000 1.142 310 R CA 2.115 58.224 56.100 0.016 0.000 0.953 310 R CB -0.184 30.133 30.300 0.028 0.000 0.860 310 R HN 0.245 8.515 8.270 -0.000 0.000 0.438 311 T N -0.191 114.386 114.554 0.039 0.000 2.809 311 T HA 0.022 4.358 4.350 -0.024 0.000 0.260 311 T C 1.802 176.426 174.700 -0.128 0.000 1.039 311 T CA 1.003 63.117 62.100 0.022 0.000 1.141 311 T CB -0.268 68.700 68.868 0.167 0.000 0.869 311 T HN 0.411 8.651 8.240 -0.000 0.000 0.437 312 A N 2.403 125.092 122.820 -0.219 0.000 1.978 312 A HA -0.159 4.147 4.320 -0.024 0.000 0.220 312 A C 2.193 179.636 177.584 -0.235 0.000 1.170 312 A CA 1.413 53.197 52.037 -0.420 0.000 0.636 312 A CB -0.599 18.152 19.000 -0.414 0.000 0.810 312 A HN 0.352 8.502 8.150 -0.000 0.000 0.448 313 N N -0.078 118.547 118.700 -0.126 0.000 2.270 313 N HA -0.078 4.648 4.740 -0.024 0.000 0.181 313 N C 1.585 177.045 175.510 -0.083 0.000 1.016 313 N CA 1.270 54.269 53.050 -0.085 0.000 0.870 313 N CB -0.266 38.195 38.487 -0.044 0.000 0.979 313 N HN 0.571 8.951 8.380 -0.000 0.000 0.431 314 K N 0.221 120.573 120.400 -0.081 0.000 2.026 314 K HA -0.073 4.233 4.320 -0.024 0.000 0.208 314 K C 1.906 178.450 176.600 -0.094 0.000 1.048 314 K CA 1.094 57.339 56.287 -0.070 0.000 0.929 314 K CB -0.145 32.324 32.500 -0.051 0.000 0.713 314 K HN 0.037 8.287 8.250 -0.000 0.000 0.439 315 M N 1.184 120.704 119.600 -0.134 0.000 2.229 315 M HA -0.093 4.372 4.480 -0.024 0.000 0.264 315 M C 1.845 178.059 176.300 -0.143 0.000 1.063 315 M CA 1.198 56.410 55.300 -0.147 0.000 1.114 315 M CB -0.244 32.241 32.600 -0.192 0.000 1.387 315 M HN 0.112 8.402 8.290 -0.000 0.000 0.420 316 L N 0.219 121.354 121.223 -0.147 0.000 1.994 316 L HA -0.202 4.124 4.340 -0.024 0.000 0.208 316 L C 2.133 178.953 176.870 -0.082 0.000 1.071 316 L CA 2.003 56.771 54.840 -0.119 0.000 0.745 316 L CB -0.778 41.217 42.059 -0.107 0.000 0.892 316 L HN 0.263 8.493 8.230 -0.000 0.000 0.431 317 K N -0.554 119.805 120.400 -0.068 0.000 2.113 317 K HA -0.228 4.078 4.320 -0.024 0.000 0.208 317 K C 2.140 178.712 176.600 -0.047 0.000 1.047 317 K CA 1.747 58.006 56.287 -0.047 0.000 0.928 317 K CB -0.128 32.348 32.500 -0.040 0.000 0.716 317 K HN 0.386 8.636 8.250 -0.000 0.000 0.446 318 K N 0.398 120.759 120.400 -0.065 0.000 2.001 318 K HA -0.077 4.229 4.320 -0.024 0.000 0.208 318 K C 2.225 178.796 176.600 -0.048 0.000 1.048 318 K CA 1.505 57.752 56.287 -0.065 0.000 0.932 318 K CB -0.110 32.330 32.500 -0.101 0.000 0.715 318 K HN 0.116 8.366 8.250 -0.000 0.000 0.437 319 M N 0.738 120.294 119.600 -0.074 0.000 2.073 319 M HA -0.244 4.222 4.480 -0.024 0.000 0.258 319 M C 2.057 178.373 176.300 0.027 0.000 1.070 319 M CA 1.817 57.109 55.300 -0.013 0.000 1.103 319 M CB -0.545 31.983 32.600 -0.120 0.000 1.321 319 M HN 0.166 8.456 8.290 -0.000 0.000 0.405 320 E N 0.404 120.595 120.200 -0.015 0.000 2.038 320 E HA -0.196 4.140 4.350 -0.024 0.000 0.195 320 E C 1.817 178.409 176.600 -0.015 0.000 1.000 320 E CA 1.368 57.761 56.400 -0.012 0.000 0.803 320 E CB -0.197 29.495 29.700 -0.012 0.000 0.750 320 E HN 0.451 8.811 8.360 -0.000 0.000 0.448 321 N N 0.555 119.246 118.700 -0.015 0.000 2.149 321 N HA -0.163 4.562 4.740 -0.024 0.000 0.188 321 N C 1.611 177.114 175.510 -0.012 0.000 1.019 321 N CA 1.319 54.361 53.050 -0.013 0.000 0.857 321 N CB -0.427 38.050 38.487 -0.016 0.000 0.997 321 N HN 0.162 8.542 8.380 -0.000 0.000 0.426 322 A N 0.475 123.289 122.820 -0.011 0.000 1.972 322 A HA -0.041 4.264 4.320 -0.024 0.000 0.219 322 A C 2.181 179.717 177.584 -0.080 0.000 1.169 322 A CA 1.180 53.203 52.037 -0.022 0.000 0.635 322 A CB -0.250 18.755 19.000 0.009 0.000 0.810 322 A HN 0.213 8.363 8.150 -0.000 0.000 0.446 323 M N -2.558 116.950 119.600 -0.153 0.000 2.545 323 M HA 0.212 4.678 4.480 -0.024 0.000 0.264 323 M C 1.174 177.450 176.300 -0.040 0.000 1.155 323 M CA 0.939 56.112 55.300 -0.213 0.000 1.162 323 M CB 0.534 32.958 32.600 -0.294 0.000 1.330 323 M HN 0.637 8.927 8.290 -0.000 0.000 0.479 324 G N 1.282 110.069 108.800 -0.021 0.000 2.288 324 G HA2 -0.164 3.781 3.960 -0.024 0.000 0.205 324 G HA3 -0.164 3.781 3.960 -0.024 0.000 0.205 324 G C 0.229 175.134 174.900 0.009 0.000 1.071 324 G CA -0.443 44.658 45.100 0.002 0.000 0.788 324 G HN 0.374 8.664 8.290 -0.000 0.000 0.491 325 L N -0.780 120.448 121.223 0.007 0.000 2.509 325 L HA 0.386 4.711 4.340 -0.024 0.000 0.222 325 L C 2.033 178.912 176.870 0.015 0.000 1.123 325 L CA 1.394 56.246 54.840 0.019 0.000 0.856 325 L CB 0.097 42.173 42.059 0.028 0.000 0.985 325 L HN 0.534 8.764 8.230 -0.000 0.000 0.456 326 G N -0.833 107.972 108.800 0.008 0.000 2.830 326 G HA2 0.439 4.385 3.960 -0.024 0.000 0.177 326 G HA3 0.439 4.385 3.960 -0.024 0.000 0.177 326 G C -0.173 174.729 174.900 0.004 0.000 1.649 326 G CA -0.316 44.787 45.100 0.006 0.000 0.867 326 G HN 0.034 8.324 8.290 -0.000 0.000 0.780 327 R N 0.000 120.500 120.500 0.001 0.000 2.786 327 R HA 0.000 4.326 4.340 -0.024 0.000 0.208 327 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 327 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 327 R HN 0.000 8.270 8.270 -0.000 0.000 0.535