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 2kii_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGIIFNVLE DMVVAQCGMS VWNELLEKHA PKDRVYVSAK SYAESELFSI DATA SEQUENCE VQDVAQRLNM PIQDVVKAFG QFLFNGLASR HTDVVDKFDD FTSLVMGIHD DATA SEQUENCE VIHLEVNKLY HEPSLPHING QLLPNNQIAL RYSSPRRLCF CAEGLLFGAA DATA SEQUENCE QHFQQKIQIS HDTCMHTGAD HCMLIIELQN D 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 1 M HA 0.000 4.492 4.480 0.019 0.000 0.227 1 M C 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 1.161 121.574 120.400 0.022 0.000 2.615 2 K HA 0.166 4.464 4.320 -0.062 -0.016 0.249 2 K C -0.724 176.039 176.600 0.271 0.000 0.977 2 K CA 0.222 56.511 56.287 0.004 0.000 0.833 2 K CB 1.825 34.197 32.500 -0.213 0.000 1.208 2 K HN -0.541 7.746 8.250 0.062 0.000 0.443 3 G N 3.121 112.079 108.800 0.264 0.000 2.438 3 G HA2 -0.300 3.864 3.960 0.357 0.000 0.191 3 G HA3 -0.300 4.062 3.960 0.671 0.000 0.191 3 G C 0.486 175.600 174.900 0.357 0.000 0.240 3 G CA 0.293 45.663 45.100 0.449 0.000 1.036 3 G HN 0.214 8.562 8.290 0.116 0.011 0.458 4 I N 4.609 125.281 120.570 0.170 0.000 2.286 4 I HA -0.396 3.800 4.170 0.044 0.000 0.245 4 I C 1.152 177.293 176.117 0.040 0.000 1.104 4 I CA 1.525 62.856 61.300 0.051 0.000 1.397 4 I CB 0.317 38.277 38.000 -0.066 0.000 1.072 4 I HN 0.121 8.407 8.210 0.127 0.000 0.417 5 I N -0.942 119.658 120.570 0.049 0.000 2.179 5 I HA -0.326 3.767 4.170 -0.129 0.000 0.242 5 I C 2.380 178.357 176.117 -0.233 0.000 1.088 5 I CA 3.520 64.739 61.300 -0.134 0.000 1.357 5 I CB -1.717 36.132 38.000 -0.251 0.000 1.051 5 I HN -0.291 8.001 8.210 0.136 0.000 0.409 6 F N -1.921 118.017 119.950 -0.021 0.000 2.293 6 F HA -0.299 4.181 4.527 -0.078 0.000 0.300 6 F C 2.378 178.031 175.800 -0.245 0.000 1.086 6 F CA 3.702 61.640 58.000 -0.104 0.000 1.375 6 F CB -1.228 37.690 39.000 -0.138 0.000 1.045 6 F HN -0.270 8.270 8.300 0.400 0.000 0.516 7 N N 0.172 118.893 118.700 0.035 0.000 2.120 7 N HA -0.243 4.464 4.740 -0.055 0.000 0.188 7 N C 2.017 177.432 175.510 -0.159 0.000 1.024 7 N CA 2.929 55.955 53.050 -0.041 0.000 0.852 7 N CB -0.233 38.280 38.487 0.043 0.000 1.003 7 N HN -0.410 7.936 8.380 0.146 0.122 0.424 8 V N -0.822 119.000 119.914 -0.153 0.000 2.548 8 V HA -0.321 3.734 4.120 -0.109 0.000 0.249 8 V C 1.721 177.613 176.094 -0.336 0.000 1.055 8 V CA 3.429 65.632 62.300 -0.162 0.000 1.065 8 V CB -0.395 31.373 31.823 -0.093 0.000 0.681 8 V HN -0.504 7.617 8.190 -0.115 0.000 0.462 9 L N 0.766 121.706 121.223 -0.471 0.000 2.005 9 L HA -0.315 3.519 4.340 -0.842 0.000 0.207 9 L C 1.601 177.878 176.870 -0.989 0.000 1.072 9 L CA 3.082 57.462 54.840 -0.767 0.000 0.744 9 L CB -0.468 41.172 42.059 -0.699 0.000 0.895 9 L HN -0.547 7.351 8.230 -0.376 0.107 0.433 10 E N -0.674 118.851 120.200 -1.125 0.000 2.208 10 E HA -0.547 2.516 4.350 -2.146 0.000 0.202 10 E C 1.619 177.765 176.600 -0.757 0.000 1.014 10 E CA 3.393 58.996 56.400 -1.329 0.000 0.819 10 E CB -0.412 28.715 29.700 -0.956 0.000 0.735 10 E HN 0.162 7.984 8.360 -0.896 0.000 0.469 11 D N -1.380 118.681 120.400 -0.565 0.000 2.224 11 D HA -0.160 4.288 4.640 -0.321 0.000 0.205 11 D C 2.262 178.218 176.300 -0.573 0.000 0.965 11 D CA 2.430 56.180 54.000 -0.417 0.000 0.852 11 D CB 0.006 40.660 40.800 -0.244 0.000 0.947 11 D HN -0.607 7.313 8.370 -0.541 0.125 0.494 12 M N -1.026 118.090 119.600 -0.806 0.000 2.098 12 M HA -0.211 3.586 4.480 -1.138 0.000 0.262 12 M C 2.678 178.636 176.300 -0.571 0.000 1.072 12 M CA 3.085 57.824 55.300 -0.934 0.000 1.133 12 M CB 0.269 32.211 32.600 -1.097 0.000 1.344 12 M HN 0.102 7.745 8.290 -0.808 0.162 0.414 13 V N -1.667 117.937 119.914 -0.517 0.000 2.332 13 V HA -0.320 3.702 4.120 -0.163 0.000 0.248 13 V C 1.676 177.658 176.094 -0.186 0.000 1.055 13 V CA 3.291 65.438 62.300 -0.255 0.000 1.038 13 V CB -1.752 29.989 31.823 -0.137 0.000 0.651 13 V HN -0.206 7.570 8.190 -0.690 0.000 0.450 14 V N 0.242 120.012 119.914 -0.241 0.000 2.546 14 V HA -0.424 3.697 4.120 -0.080 -0.049 0.254 14 V C 1.939 177.957 176.094 -0.127 0.000 1.076 14 V CA 4.011 66.222 62.300 -0.149 0.000 1.087 14 V CB -1.425 30.297 31.823 -0.168 0.000 0.674 14 V HN -0.248 7.723 8.190 -0.364 0.000 0.470 15 A N -2.692 120.020 122.820 -0.180 0.000 2.123 15 A HA -0.064 4.200 4.320 -0.094 0.000 0.214 15 A C 0.968 178.493 177.584 -0.099 0.000 1.152 15 A CA 1.902 53.858 52.037 -0.136 0.000 0.728 15 A CB -0.205 18.687 19.000 -0.179 0.000 0.814 15 A HN -0.363 7.471 8.150 -0.264 0.158 0.464 16 Q N -2.035 117.704 119.800 -0.102 0.000 2.274 16 Q HA -0.063 4.247 4.340 -0.050 0.000 0.198 16 Q C 1.333 177.315 176.000 -0.028 0.000 0.955 16 Q CA 2.133 57.901 55.803 -0.057 0.000 0.859 16 Q CB 1.906 30.615 28.738 -0.049 0.000 0.956 16 Q HN 0.132 8.130 8.270 -0.133 0.191 0.516 17 C N -4.781 114.508 119.300 -0.019 0.000 3.730 17 C HA 0.224 4.683 4.460 -0.000 0.000 0.397 17 C C -0.344 174.651 174.990 0.008 0.000 1.468 17 C CA 0.685 59.705 59.018 0.003 0.000 1.931 17 C CB 2.497 30.251 27.740 0.023 0.000 2.773 17 C HN 0.110 8.322 8.230 -0.029 0.000 0.692 18 G N -0.041 108.758 108.800 -0.002 0.000 2.434 18 G HA2 -0.123 3.967 3.960 -0.014 0.000 0.671 18 G HA3 -0.123 3.845 3.960 0.014 0.000 0.671 18 G C -0.727 174.195 174.900 0.037 0.000 1.280 18 G CA -0.506 44.597 45.100 0.006 0.000 0.975 18 G HN -0.562 7.715 8.290 -0.021 0.000 0.510 19 M N -1.588 118.039 119.600 0.046 0.000 2.419 19 M HA -0.109 4.445 4.480 0.124 0.000 0.264 19 M C 1.331 177.712 176.300 0.135 0.000 1.082 19 M CA 3.153 58.512 55.300 0.098 0.000 1.119 19 M CB -0.187 32.456 32.600 0.072 0.000 1.398 19 M HN 0.345 8.652 8.290 0.028 0.000 0.453 20 S N 0.386 116.137 115.700 0.085 0.000 2.382 20 S HA -0.299 4.211 4.470 0.066 0.000 0.228 20 S C 1.796 176.443 174.600 0.078 0.000 1.027 20 S CA 2.782 61.023 58.200 0.069 0.000 0.991 20 S CB -1.362 61.864 63.200 0.043 0.000 0.823 20 S HN -0.015 8.303 8.310 0.063 0.029 0.469 21 V N 1.673 121.646 119.914 0.098 0.000 2.427 21 V HA -0.319 3.840 4.120 0.064 0.000 0.248 21 V C 0.525 176.707 176.094 0.146 0.000 1.051 21 V CA 2.897 65.258 62.300 0.102 0.000 1.048 21 V CB -0.305 31.580 31.823 0.103 0.000 0.666 21 V HN -0.694 7.541 8.190 0.095 0.012 0.456 22 W N -0.590 120.704 121.300 -0.010 0.000 2.381 22 W HA -0.412 4.243 4.660 -0.008 0.000 0.301 22 W C 1.404 177.927 176.519 0.007 0.000 1.205 22 W CA 3.423 60.760 57.345 -0.012 0.000 1.285 22 W CB 0.290 29.726 29.460 -0.040 0.000 1.133 22 W HN -0.744 7.549 8.180 0.319 0.078 0.521 23 N N -1.770 116.944 118.700 0.023 0.000 2.354 23 N HA -0.282 4.361 4.740 -0.162 0.000 0.179 23 N C 2.029 177.485 175.510 -0.091 0.000 1.021 23 N CA 2.928 55.938 53.050 -0.066 0.000 0.887 23 N CB -0.115 38.397 38.487 0.041 0.000 0.974 23 N HN -0.179 8.299 8.380 0.163 0.000 0.437 24 E N 1.240 121.410 120.200 -0.049 0.000 2.008 24 E HA -0.252 4.078 4.350 -0.033 0.000 0.191 24 E C 2.145 178.714 176.600 -0.053 0.000 0.986 24 E CA 2.947 59.325 56.400 -0.036 0.000 0.807 24 E CB -0.026 29.672 29.700 -0.002 0.000 0.766 24 E HN -0.364 7.870 8.360 -0.008 0.121 0.450 25 L N -1.618 119.578 121.223 -0.047 0.000 2.275 25 L HA -0.044 4.363 4.340 0.112 0.000 0.215 25 L C 1.948 178.817 176.870 -0.002 0.000 1.119 25 L CA 2.774 57.638 54.840 0.040 0.000 0.790 25 L CB -1.199 40.878 42.059 0.030 0.000 0.919 25 L HN -0.454 7.749 8.230 -0.046 0.000 0.443 26 L N 0.558 121.622 121.223 -0.266 0.000 2.072 26 L HA -0.247 3.884 4.340 -0.349 0.000 0.205 26 L C 1.581 178.355 176.870 -0.159 0.000 1.079 26 L CA 3.168 57.792 54.840 -0.360 0.000 0.752 26 L CB -0.173 41.473 42.059 -0.689 0.000 0.906 26 L HN -0.459 7.543 8.230 -0.319 0.036 0.436 27 E N -3.613 116.511 120.200 -0.126 0.000 2.204 27 E HA -0.357 3.954 4.350 -0.066 0.000 0.194 27 E C 1.258 177.806 176.600 -0.087 0.000 0.989 27 E CA 2.304 58.656 56.400 -0.080 0.000 0.824 27 E CB -0.094 29.569 29.700 -0.062 0.000 0.756 27 E HN -0.655 7.620 8.360 -0.142 0.000 0.477 28 K N -2.802 117.530 120.400 -0.114 0.000 2.116 28 K HA -0.199 4.011 4.320 -0.184 0.000 0.203 28 K C 1.321 177.712 176.600 -0.348 0.000 1.052 28 K CA 1.563 57.711 56.287 -0.232 0.000 0.952 28 K CB 0.265 32.586 32.500 -0.298 0.000 0.729 28 K HN -0.693 7.391 8.250 -0.085 0.115 0.446 29 H N -1.964 117.061 119.070 -0.074 0.000 2.551 29 H HA 0.050 4.587 4.556 -0.032 0.000 0.271 29 H C -0.294 175.006 175.328 -0.047 0.000 0.984 29 H CA -0.008 56.009 56.048 -0.053 0.000 1.164 29 H CB 0.628 30.355 29.762 -0.058 0.000 1.437 29 H HN -0.312 7.978 8.280 0.016 0.000 0.550 30 A N 0.719 123.550 122.820 0.019 0.000 2.351 30 A HA 0.102 4.432 4.320 0.017 0.000 0.257 30 A C -1.277 176.317 177.584 0.016 0.000 1.087 30 A CA -1.631 50.410 52.037 0.007 0.000 0.798 30 A CB -0.171 18.818 19.000 -0.019 0.000 1.033 30 A HN -0.441 7.642 8.150 -0.020 0.054 0.488 31 P HA 0.175 4.624 4.420 0.049 0.000 0.318 31 P C -0.081 177.239 177.300 0.032 0.000 1.309 31 P CA -0.871 62.260 63.100 0.052 0.000 0.736 31 P CB 1.307 33.070 31.700 0.105 0.000 1.440 32 K N -2.060 118.362 120.400 0.037 0.000 2.057 32 K HA -0.275 4.049 4.320 0.007 0.000 0.206 32 K C 1.358 177.962 176.600 0.007 0.000 1.050 32 K CA 2.644 58.941 56.287 0.016 0.000 0.935 32 K CB -0.304 32.203 32.500 0.013 0.000 0.715 32 K HN 0.210 8.495 8.250 0.058 0.000 0.439 33 D N -1.216 119.192 120.400 0.013 0.000 2.097 33 D HA -0.151 4.479 4.640 -0.017 0.000 0.195 33 D C 0.250 176.542 176.300 -0.013 0.000 0.989 33 D CA 1.393 55.389 54.000 -0.005 0.000 0.827 33 D CB -0.040 40.760 40.800 -0.001 0.000 0.966 33 D HN -0.247 8.143 8.370 0.034 0.000 0.456 34 R N -2.751 117.750 120.500 0.001 0.000 3.322 34 R HA -0.320 4.028 4.340 0.012 0.000 0.266 34 R C -2.239 174.046 176.300 -0.026 0.000 1.072 34 R CA 0.343 56.442 56.100 -0.001 0.000 0.715 34 R CB -0.836 29.461 30.300 -0.005 0.000 1.199 34 R HN -0.006 8.276 8.270 0.020 0.000 0.421 35 V N -6.154 113.727 119.914 -0.055 0.000 2.932 35 V HA 0.195 4.111 4.120 -0.341 0.000 0.307 35 V C -1.958 174.019 176.094 -0.194 0.000 1.147 35 V CA -1.647 60.525 62.300 -0.214 0.000 0.951 35 V CB 2.125 33.819 31.823 -0.216 0.000 1.031 35 V HN -0.721 7.456 8.190 -0.022 0.000 0.426 36 Y N 1.655 121.853 120.300 -0.171 0.000 2.356 36 Y HA 0.298 4.636 4.550 -0.353 0.000 0.334 36 Y C -1.624 174.199 175.900 -0.129 0.000 0.958 36 Y CA -2.306 55.608 58.100 -0.310 0.000 1.196 36 Y CB 0.290 38.375 38.460 -0.626 0.000 1.137 36 Y HN -0.252 7.132 8.280 -1.494 0.000 0.485 37 V N 3.203 123.103 119.914 -0.022 0.000 2.483 37 V HA 0.170 4.307 4.120 -0.033 -0.036 0.295 37 V C 0.022 176.153 176.094 0.062 0.000 1.035 37 V CA -1.468 60.831 62.300 -0.002 0.000 0.896 37 V CB 2.193 34.005 31.823 -0.017 0.000 0.986 37 V HN 0.012 8.195 8.190 -0.013 0.000 0.447 38 S N 6.074 121.779 115.700 0.007 0.000 2.446 38 S HA -0.220 4.297 4.470 0.078 0.000 0.225 38 S C 1.284 175.748 174.600 -0.226 0.000 1.016 38 S CA 2.221 60.382 58.200 -0.066 0.000 0.943 38 S CB 0.414 63.489 63.200 -0.209 0.000 0.786 38 S HN 0.315 8.619 8.310 -0.021 -0.007 0.508 39 A N 0.445 123.191 122.820 -0.123 0.000 1.968 39 A HA -0.124 4.231 4.320 0.058 0.000 0.217 39 A C 0.151 177.681 177.584 -0.090 0.000 1.169 39 A CA 1.645 53.674 52.037 -0.013 0.000 0.638 39 A CB -0.410 18.673 19.000 0.138 0.000 0.812 39 A HN 0.318 8.425 8.150 -0.072 0.000 0.446 40 K N -2.546 117.832 120.400 -0.037 0.000 2.440 40 K HA 0.052 4.389 4.320 0.028 0.000 0.252 40 K C -0.399 176.234 176.600 0.056 0.000 1.044 40 K CA -0.463 55.839 56.287 0.025 0.000 0.962 40 K CB 0.375 32.917 32.500 0.070 0.000 1.269 40 K HN -0.366 7.853 8.250 -0.019 0.019 0.505 41 S N -3.259 112.529 115.700 0.147 0.000 2.820 41 S HA 0.031 4.638 4.470 0.228 0.000 0.265 41 S C -1.142 173.579 174.600 0.201 0.000 1.043 41 S CA -0.031 58.288 58.200 0.198 0.000 1.245 41 S CB 0.905 64.227 63.200 0.204 0.000 1.187 41 S HN -0.003 8.405 8.310 0.163 0.000 0.673 42 Y N 2.815 123.168 120.300 0.087 0.000 2.299 42 Y HA -0.118 4.480 4.550 0.079 0.000 0.335 42 Y C -0.066 175.885 175.900 0.085 0.000 1.287 42 Y CA 1.440 59.585 58.100 0.074 0.000 1.424 42 Y CB 1.083 39.570 38.460 0.044 0.000 1.326 42 Y HN -0.604 7.851 8.280 0.293 0.000 0.567 43 A N 0.597 122.875 122.820 -0.904 0.000 2.799 43 A HA -0.402 3.661 4.320 -0.563 -0.081 0.274 43 A C 0.388 177.930 177.584 -0.070 0.000 1.393 43 A CA 1.384 53.169 52.037 -0.420 0.000 0.909 43 A CB -1.536 17.438 19.000 -0.043 0.000 1.012 43 A HN 0.411 7.204 8.150 -2.262 0.000 0.653 44 E N -1.190 119.006 120.200 -0.007 0.000 2.274 44 E HA -0.337 4.250 4.350 0.395 0.000 0.194 44 E C 1.360 178.072 176.600 0.188 0.000 0.996 44 E CA 2.134 58.655 56.400 0.201 0.000 0.840 44 E CB -0.028 29.778 29.700 0.176 0.000 0.772 44 E HN -0.182 8.047 8.360 -0.116 0.061 0.491 45 S N -0.537 115.202 115.700 0.065 0.000 2.419 45 S HA -0.245 4.292 4.470 0.110 0.000 0.233 45 S C 2.134 176.833 174.600 0.165 0.000 1.016 45 S CA 3.346 61.599 58.200 0.089 0.000 0.974 45 S CB -0.764 62.441 63.200 0.008 0.000 0.786 45 S HN 0.227 8.479 8.310 -0.042 0.033 0.492 46 E N 1.776 122.069 120.200 0.155 0.000 2.171 46 E HA -0.252 4.177 4.350 0.132 0.000 0.197 46 E C 2.368 179.119 176.600 0.252 0.000 0.997 46 E CA 2.457 58.963 56.400 0.176 0.000 0.810 46 E CB -0.620 29.165 29.700 0.141 0.000 0.738 46 E HN -0.698 7.584 8.360 0.105 0.141 0.467 47 L N -0.358 121.081 121.223 0.360 0.000 2.042 47 L HA -0.321 4.226 4.340 0.344 0.000 0.210 47 L C 1.247 178.222 176.870 0.174 0.000 1.076 47 L CA 3.262 58.268 54.840 0.276 0.000 0.749 47 L CB -0.110 42.012 42.059 0.105 0.000 0.893 47 L HN -0.513 7.820 8.230 0.394 0.133 0.432 48 F N -0.721 119.261 119.950 0.053 0.000 2.113 48 F HA -0.400 4.119 4.527 -0.013 0.000 0.297 48 F C 1.192 176.974 175.800 -0.031 0.000 1.103 48 F CA 3.789 61.792 58.000 0.004 0.000 1.248 48 F CB -0.096 38.910 39.000 0.010 0.000 0.999 48 F HN -0.367 8.042 8.300 0.345 0.099 0.475 49 S N 0.381 116.140 115.700 0.098 0.000 2.399 49 S HA -0.361 4.075 4.470 -0.057 0.000 0.231 49 S C 2.452 176.895 174.600 -0.262 0.000 1.022 49 S CA 3.576 61.737 58.200 -0.066 0.000 0.983 49 S CB -0.921 62.281 63.200 0.003 0.000 0.803 49 S HN -0.376 8.067 8.310 0.221 0.000 0.480 50 I N 1.799 122.271 120.570 -0.162 0.000 2.353 50 I HA -0.334 3.663 4.170 -0.288 0.000 0.248 50 I C 1.703 177.750 176.117 -0.117 0.000 1.119 50 I CA 3.766 64.980 61.300 -0.144 0.000 1.417 50 I CB -0.070 37.957 38.000 0.045 0.000 1.078 50 I HN -0.030 8.047 8.210 -0.035 0.112 0.421 51 V N 0.505 120.301 119.914 -0.197 0.000 2.427 51 V HA -0.467 3.454 4.120 -0.332 0.000 0.248 51 V C 1.941 177.754 176.094 -0.468 0.000 1.051 51 V CA 3.925 65.996 62.300 -0.382 0.000 1.048 51 V CB -0.559 30.968 31.823 -0.494 0.000 0.666 51 V HN -0.052 7.932 8.190 -0.186 0.095 0.456 52 Q N -1.429 118.067 119.800 -0.506 0.000 2.137 52 Q HA -0.344 3.744 4.340 -0.421 0.000 0.198 52 Q C 1.778 177.618 176.000 -0.266 0.000 0.960 52 Q CA 2.920 58.472 55.803 -0.417 0.000 0.847 52 Q CB -0.364 28.119 28.738 -0.425 0.000 0.915 52 Q HN -0.161 7.771 8.270 -0.563 0.000 0.448 53 D N 0.655 120.903 120.400 -0.254 0.000 2.085 53 D HA -0.230 4.329 4.640 -0.135 0.000 0.199 53 D C 2.120 178.347 176.300 -0.122 0.000 0.981 53 D CA 3.274 57.163 54.000 -0.185 0.000 0.834 53 D CB 0.359 40.984 40.800 -0.290 0.000 0.992 53 D HN -0.650 7.537 8.370 -0.304 0.000 0.457 54 V N 0.009 119.864 119.914 -0.100 0.000 2.439 54 V HA -0.490 3.642 4.120 0.021 0.000 0.253 54 V C 0.929 176.994 176.094 -0.048 0.000 1.074 54 V CA 3.617 65.912 62.300 -0.007 0.000 1.076 54 V CB 0.037 31.938 31.823 0.129 0.000 0.664 54 V HN -0.197 7.914 8.190 -0.130 0.000 0.461 55 A N -2.420 120.319 122.820 -0.135 0.000 1.969 55 A HA -0.256 3.982 4.320 -0.136 0.000 0.218 55 A C 2.000 179.523 177.584 -0.103 0.000 1.169 55 A CA 3.165 55.110 52.037 -0.153 0.000 0.635 55 A CB -0.852 18.006 19.000 -0.237 0.000 0.810 55 A HN -0.436 7.486 8.150 -0.183 0.118 0.445 56 Q N -1.535 118.211 119.800 -0.091 0.000 2.016 56 Q HA -0.305 3.997 4.340 -0.063 0.000 0.200 56 Q C 3.012 178.989 176.000 -0.037 0.000 0.978 56 Q CA 2.966 58.733 55.803 -0.061 0.000 0.833 56 Q CB -0.095 28.613 28.738 -0.051 0.000 0.895 56 Q HN 0.185 8.243 8.270 -0.107 0.148 0.427 57 R N -2.234 118.251 120.500 -0.025 0.000 2.075 57 R HA -0.185 4.150 4.340 -0.008 0.000 0.232 57 R C 2.161 178.456 176.300 -0.010 0.000 1.126 57 R CA 2.411 58.506 56.100 -0.009 0.000 0.963 57 R CB -0.532 29.772 30.300 0.007 0.000 0.858 57 R HN -0.565 7.688 8.270 -0.029 0.000 0.435 58 L N -1.713 119.503 121.223 -0.012 0.000 2.456 58 L HA -0.147 4.191 4.340 -0.004 0.000 0.224 58 L C 0.278 177.132 176.870 -0.026 0.000 1.148 58 L CA 0.594 55.427 54.840 -0.012 0.000 0.825 58 L CB -0.067 41.989 42.059 -0.006 0.000 0.937 58 L HN -0.204 8.016 8.230 -0.016 0.000 0.450 59 N N -2.252 116.426 118.700 -0.035 0.000 2.699 59 N HA -0.428 4.358 4.740 -0.042 -0.071 0.257 59 N C -1.544 173.935 175.510 -0.052 0.000 1.077 59 N CA 1.179 54.206 53.050 -0.040 0.000 0.702 59 N CB -0.667 37.803 38.487 -0.028 0.000 0.886 59 N HN -0.678 7.469 8.380 -0.036 0.212 0.549 60 M N -1.853 117.703 119.600 -0.073 0.000 2.531 60 M HA 0.380 4.812 4.480 -0.080 0.000 0.286 60 M C -2.861 173.364 176.300 -0.126 0.000 1.232 60 M CA -2.249 52.994 55.300 -0.094 0.000 0.877 60 M CB 3.745 36.285 32.600 -0.101 0.000 1.726 60 M HN 0.319 8.450 8.290 -0.079 0.112 0.463 61 P HA 0.268 4.606 4.420 -0.135 0.000 0.281 61 P C 0.321 177.479 177.300 -0.236 0.000 1.252 61 P CA -0.804 62.202 63.100 -0.157 0.000 0.778 61 P CB 0.829 32.449 31.700 -0.134 0.000 0.895 62 I N 4.938 125.359 120.570 -0.250 0.000 2.236 62 I HA -0.563 3.374 4.170 -0.387 0.000 0.249 62 I C 1.294 177.155 176.117 -0.427 0.000 1.102 62 I CA 3.593 64.690 61.300 -0.340 0.000 1.365 62 I CB 0.388 38.209 38.000 -0.299 0.000 1.051 62 I HN 0.534 8.624 8.210 -0.199 0.000 0.420 63 Q N -3.226 116.309 119.800 -0.441 0.000 2.167 63 Q HA -0.273 3.447 4.340 -1.034 0.000 0.202 63 Q C 2.084 177.605 176.000 -0.798 0.000 0.970 63 Q CA 2.790 58.107 55.803 -0.809 0.000 0.855 63 Q CB -0.844 27.494 28.738 -0.667 0.000 0.911 63 Q HN 0.273 8.330 8.270 -0.321 0.020 0.438 64 D N 0.044 120.174 120.400 -0.449 0.000 2.213 64 D HA -0.107 4.359 4.640 -0.289 0.000 0.205 64 D C 1.926 178.055 176.300 -0.285 0.000 0.961 64 D CA 2.734 56.551 54.000 -0.305 0.000 0.853 64 D CB 0.491 41.177 40.800 -0.190 0.000 0.967 64 D HN -0.208 7.809 8.370 -0.366 0.134 0.496 65 V N 0.239 119.932 119.914 -0.369 0.000 2.307 65 V HA -0.362 3.563 4.120 -0.326 0.000 0.245 65 V C 1.844 177.547 176.094 -0.651 0.000 1.045 65 V CA 4.141 66.138 62.300 -0.504 0.000 1.024 65 V CB -0.476 30.963 31.823 -0.641 0.000 0.651 65 V HN -0.182 7.780 8.190 -0.379 0.000 0.449 66 V N -0.156 119.421 119.914 -0.561 0.000 2.407 66 V HA -0.473 3.391 4.120 -0.427 0.000 0.248 66 V C 0.970 176.998 176.094 -0.111 0.000 1.055 66 V CA 4.351 66.431 62.300 -0.366 0.000 1.049 66 V CB -0.032 31.616 31.823 -0.291 0.000 0.662 66 V HN 0.035 7.896 8.190 -0.549 0.000 0.455 67 K N -0.197 120.115 120.400 -0.147 0.000 1.973 67 K HA -0.355 4.048 4.320 0.138 0.000 0.212 67 K C 1.977 178.644 176.600 0.111 0.000 1.047 67 K CA 3.279 59.588 56.287 0.036 0.000 0.937 67 K CB -0.100 32.406 32.500 0.010 0.000 0.721 67 K HN -0.887 7.163 8.250 -0.319 0.010 0.440 68 A N -0.623 122.248 122.820 0.084 0.000 1.948 68 A HA -0.200 4.392 4.320 0.138 -0.189 0.220 68 A C 2.430 180.199 177.584 0.307 0.000 1.177 68 A CA 2.778 54.918 52.037 0.172 0.000 0.636 68 A CB -0.718 18.372 19.000 0.150 0.000 0.815 68 A HN -0.083 8.063 8.150 -0.007 0.000 0.449 69 F N -2.500 117.443 119.950 -0.011 0.000 2.126 69 F HA -0.292 4.213 4.527 -0.037 0.000 0.299 69 F C 2.328 178.159 175.800 0.053 0.000 1.096 69 F CA 1.697 59.688 58.000 -0.014 0.000 1.255 69 F CB -0.897 38.065 39.000 -0.063 0.000 0.997 69 F HN 0.092 8.624 8.300 0.410 0.013 0.479 70 G N -1.824 107.134 108.800 0.262 0.000 2.414 70 G HA2 -0.379 3.689 3.960 0.179 0.000 0.215 70 G HA3 -0.379 3.697 3.960 0.192 0.000 0.215 70 G C 0.906 175.928 174.900 0.203 0.000 1.188 70 G CA 1.729 46.951 45.100 0.203 0.000 0.783 70 G HN -0.270 8.071 8.290 0.262 0.106 0.537 71 Q N 2.487 122.406 119.800 0.198 0.000 2.118 71 Q HA -0.406 4.165 4.340 0.130 -0.153 0.211 71 Q C 3.002 179.074 176.000 0.121 0.000 0.998 71 Q CA 2.858 58.753 55.803 0.153 0.000 0.872 71 Q CB -0.112 28.708 28.738 0.137 0.000 0.925 71 Q HN -0.522 7.870 8.270 0.204 0.000 0.414 72 F N -0.220 119.741 119.950 0.017 0.000 2.187 72 F HA -0.238 4.259 4.527 -0.049 0.000 0.295 72 F C 1.203 176.972 175.800 -0.050 0.000 1.091 72 F CA 3.128 61.099 58.000 -0.048 0.000 1.308 72 F CB 0.411 39.337 39.000 -0.123 0.000 1.030 72 F HN -0.544 7.934 8.300 0.304 0.004 0.487 73 L N 0.668 122.004 121.223 0.189 0.000 2.043 73 L HA -0.505 3.864 4.340 0.048 0.000 0.212 73 L C 1.115 178.007 176.870 0.037 0.000 1.075 73 L CA 3.931 58.819 54.840 0.079 0.000 0.752 73 L CB -0.345 41.749 42.059 0.058 0.000 0.891 73 L HN 0.140 8.412 8.230 0.201 0.078 0.432 74 F N -1.566 118.357 119.950 -0.046 0.000 2.134 74 F HA -0.518 3.977 4.527 -0.054 0.000 0.299 74 F C 1.300 177.023 175.800 -0.129 0.000 1.097 74 F CA 4.359 62.317 58.000 -0.070 0.000 1.264 74 F CB -0.059 38.910 39.000 -0.050 0.000 1.001 74 F HN 0.184 8.629 8.300 0.253 0.008 0.479 75 N N -0.380 118.321 118.700 0.001 0.000 2.043 75 N HA -0.477 4.128 4.740 -0.225 0.000 0.193 75 N C 2.263 177.625 175.510 -0.248 0.000 1.037 75 N CA 3.136 56.033 53.050 -0.254 0.000 0.851 75 N CB 0.003 38.137 38.487 -0.588 0.000 1.027 75 N HN -0.692 7.614 8.380 0.011 0.081 0.422 76 G N -0.483 108.203 108.800 -0.190 0.000 2.418 76 G HA2 -0.259 3.639 3.960 -0.103 0.000 0.217 76 G HA3 -0.259 3.677 3.960 -0.041 0.000 0.217 76 G C 1.084 175.909 174.900 -0.126 0.000 1.158 76 G CA 1.572 46.608 45.100 -0.107 0.000 0.771 76 G HN -0.223 7.965 8.290 -0.170 0.000 0.545 77 L N 1.748 122.860 121.223 -0.186 0.000 1.989 77 L HA -0.486 3.726 4.340 -0.213 0.000 0.211 77 L C 2.170 178.898 176.870 -0.237 0.000 1.071 77 L CA 2.946 57.634 54.840 -0.253 0.000 0.749 77 L CB -0.327 41.518 42.059 -0.356 0.000 0.890 77 L HN -0.054 8.069 8.230 -0.178 0.000 0.431 78 A N -1.703 120.926 122.820 -0.319 0.000 1.958 78 A HA -0.441 3.749 4.320 -0.217 0.000 0.221 78 A C 1.472 179.046 177.584 -0.016 0.000 1.178 78 A CA 3.427 55.357 52.037 -0.179 0.000 0.642 78 A CB -0.935 18.038 19.000 -0.045 0.000 0.816 78 A HN 0.155 8.039 8.150 -0.443 0.000 0.453 79 S N -4.928 110.759 115.700 -0.021 0.000 2.447 79 S HA -0.232 4.271 4.470 0.056 0.000 0.233 79 S C 1.936 176.563 174.600 0.044 0.000 1.006 79 S CA 2.517 60.730 58.200 0.022 0.000 0.957 79 S CB -0.013 63.184 63.200 -0.005 0.000 0.773 79 S HN -0.679 7.480 8.310 -0.075 0.106 0.507 80 R N 0.084 120.613 120.500 0.048 0.000 2.156 80 R HA 0.024 4.436 4.340 0.120 0.000 0.207 80 R C 1.586 178.096 176.300 0.351 0.000 1.040 80 R CA 1.197 57.385 56.100 0.147 0.000 1.013 80 R CB 0.618 30.973 30.300 0.091 0.000 0.931 80 R HN 0.250 8.331 8.270 -0.008 0.184 0.465 81 H N -2.136 116.908 119.070 -0.043 0.000 2.510 81 H HA 0.413 4.963 4.556 -0.010 0.000 0.266 81 H C 0.444 175.743 175.328 -0.049 0.000 1.146 81 H CA -2.156 53.867 56.048 -0.042 0.000 0.993 81 H CB -0.137 29.583 29.762 -0.070 0.000 1.727 81 H HN 0.204 8.477 8.280 0.139 0.091 0.590 82 T N 1.958 116.556 114.554 0.073 0.000 2.760 82 T HA -0.474 3.918 4.350 0.058 -0.007 0.269 82 T C 1.267 175.986 174.700 0.033 0.000 1.047 82 T CA 5.159 67.293 62.100 0.055 0.000 1.139 82 T CB -0.708 68.202 68.868 0.070 0.000 0.855 82 T HN -0.174 8.048 8.240 0.086 0.070 0.471 83 D N 0.256 120.659 120.400 0.005 0.000 2.097 83 D HA -0.184 4.457 4.640 0.002 0.000 0.197 83 D C 1.405 177.695 176.300 -0.017 0.000 0.984 83 D CA 3.119 57.110 54.000 -0.015 0.000 0.826 83 D CB -0.047 40.724 40.800 -0.049 0.000 0.973 83 D HN 0.028 8.362 8.370 -0.003 0.035 0.460 84 V N -0.663 119.231 119.914 -0.034 0.000 2.323 84 V HA -0.285 3.817 4.120 -0.031 0.000 0.244 84 V C 2.276 178.356 176.094 -0.024 0.000 1.041 84 V CA 3.163 65.445 62.300 -0.029 0.000 1.025 84 V CB 0.064 31.876 31.823 -0.018 0.000 0.656 84 V HN -0.399 7.677 8.190 -0.047 0.086 0.451 85 V N 1.204 121.091 119.914 -0.045 0.000 2.255 85 V HA -0.527 3.482 4.120 -0.186 0.000 0.247 85 V C 1.813 177.889 176.094 -0.029 0.000 1.051 85 V CA 4.515 66.736 62.300 -0.132 0.000 1.018 85 V CB -1.057 30.668 31.823 -0.165 0.000 0.641 85 V HN 0.038 8.214 8.190 -0.024 0.000 0.445 86 D N -1.556 118.893 120.400 0.081 0.000 2.357 86 D HA -0.276 4.584 4.640 0.366 0.000 0.216 86 D C 2.263 178.700 176.300 0.228 0.000 0.973 86 D CA 2.865 56.991 54.000 0.210 0.000 0.912 86 D CB -0.117 40.742 40.800 0.098 0.000 0.900 86 D HN -0.012 8.271 8.370 0.041 0.112 0.501 87 K N -2.050 118.445 120.400 0.159 0.000 2.442 87 K HA -0.246 4.109 4.320 0.058 0.000 0.198 87 K C 1.099 177.792 176.600 0.154 0.000 1.042 87 K CA 2.080 58.429 56.287 0.104 0.000 0.958 87 K CB -0.273 32.256 32.500 0.048 0.000 0.766 87 K HN -0.603 7.513 8.250 0.105 0.197 0.474 88 F N -4.817 115.080 119.950 -0.090 0.000 2.530 88 F HA 0.092 4.565 4.527 -0.090 0.000 0.292 88 F C 0.333 176.055 175.800 -0.131 0.000 1.109 88 F CA -1.419 56.517 58.000 -0.105 0.000 1.450 88 F CB 0.322 39.258 39.000 -0.107 0.000 1.114 88 F HN -0.215 8.311 8.300 0.665 0.172 0.560 89 D N -2.673 117.263 120.400 -0.775 0.000 2.889 89 D HA -0.368 3.863 4.640 -0.682 0.000 0.201 89 D C -1.242 174.225 176.300 -1.388 0.000 1.093 89 D CA 2.435 55.891 54.000 -0.906 0.000 1.006 89 D CB -0.656 39.903 40.800 -0.402 0.000 1.104 89 D HN -0.146 8.152 8.370 0.060 0.108 0.397 90 D N -6.191 113.095 120.400 -1.858 0.000 2.836 90 D HA 0.073 4.167 4.640 -0.910 0.000 0.215 90 D C -0.255 175.842 176.300 -0.338 0.000 1.255 90 D CA -0.972 52.444 54.000 -0.973 0.000 0.822 90 D CB 1.094 41.660 40.800 -0.390 0.000 1.656 90 D HN -0.332 6.652 8.370 -1.977 0.200 0.511 91 F N 1.973 121.987 119.950 0.107 0.000 2.141 91 F HA -0.517 4.431 4.527 0.701 0.000 0.300 91 F C 0.606 176.542 175.800 0.228 0.000 1.079 91 F CA 3.850 62.097 58.000 0.411 0.000 1.264 91 F CB 0.086 39.270 39.000 0.307 0.000 1.011 91 F HN 0.367 8.866 8.300 0.332 0.000 0.487 92 T N -0.114 114.573 114.554 0.222 0.000 2.746 92 T HA -0.385 4.043 4.350 0.130 0.000 0.267 92 T C 2.375 177.083 174.700 0.013 0.000 1.039 92 T CA 4.696 66.858 62.100 0.103 0.000 1.142 92 T CB -0.559 68.362 68.868 0.089 0.000 0.866 92 T HN -0.238 8.118 8.240 0.232 0.023 0.444 93 S N 2.215 117.925 115.700 0.017 0.000 2.423 93 S HA -0.269 4.201 4.470 -0.001 0.000 0.231 93 S C 0.835 175.463 174.600 0.046 0.000 1.014 93 S CA 2.764 60.975 58.200 0.018 0.000 0.965 93 S CB 0.061 63.256 63.200 -0.008 0.000 0.785 93 S HN 0.246 8.883 8.310 -0.003 -0.330 0.495 94 L N 0.733 122.020 121.223 0.106 0.000 2.034 94 L HA -0.275 4.069 4.340 0.007 0.000 0.203 94 L C 1.751 178.521 176.870 -0.167 0.000 1.074 94 L CA 3.141 57.973 54.840 -0.015 0.000 0.748 94 L CB 0.105 42.120 42.059 -0.074 0.000 0.905 94 L HN -0.918 7.318 8.230 0.205 0.117 0.439 95 V N -0.342 119.385 119.914 -0.312 0.000 2.277 95 V HA -0.551 3.412 4.120 -0.261 0.000 0.255 95 V C 2.172 178.203 176.094 -0.106 0.000 1.074 95 V CA 4.080 66.225 62.300 -0.259 0.000 1.058 95 V CB -0.594 31.060 31.823 -0.283 0.000 0.656 95 V HN -0.306 7.603 8.190 -0.468 0.000 0.449 96 M N -6.531 113.024 119.600 -0.075 0.000 2.492 96 M HA -0.033 4.481 4.480 0.057 0.000 0.262 96 M C 0.786 176.998 176.300 -0.148 0.000 1.090 96 M CA 2.246 57.533 55.300 -0.023 0.000 1.110 96 M CB -0.259 32.347 32.600 0.009 0.000 1.407 96 M HN -0.866 7.374 8.290 -0.082 0.001 0.470 97 G N -1.323 107.364 108.800 -0.188 0.000 3.126 97 G HA2 0.184 3.972 3.960 -0.286 0.000 0.224 97 G HA3 0.184 4.055 3.960 -0.148 0.000 0.224 97 G C -0.354 174.334 174.900 -0.352 0.000 1.142 97 G CA -0.339 44.610 45.100 -0.252 0.000 0.759 97 G HN 0.085 8.087 8.290 -0.137 0.205 0.550 98 I N 2.198 122.571 120.570 -0.328 0.000 2.082 98 I HA -0.711 3.319 4.170 -0.233 0.000 0.221 98 I C 0.799 176.796 176.117 -0.199 0.000 1.010 98 I CA 4.156 65.323 61.300 -0.222 0.000 1.322 98 I CB -0.237 37.758 38.000 -0.009 0.000 1.044 98 I HN -0.410 7.478 8.210 -0.263 0.165 0.384 99 H N -2.687 116.500 119.070 0.195 0.000 2.292 99 H HA -0.338 4.488 4.556 0.450 0.000 0.292 99 H C 1.426 176.830 175.328 0.126 0.000 1.100 99 H CA 1.913 58.102 56.048 0.235 0.000 1.238 99 H CB -0.804 29.030 29.762 0.120 0.000 1.355 99 H HN 0.247 8.575 8.280 0.080 0.000 0.484 100 D N -0.518 119.680 120.400 -0.336 0.000 2.095 100 D HA -0.331 4.392 4.640 0.138 0.000 0.264 100 D C 1.840 178.125 176.300 -0.026 0.000 1.305 100 D CA 2.343 56.298 54.000 -0.074 0.000 1.096 100 D CB 0.158 40.839 40.800 -0.200 0.000 1.843 100 D HN -0.033 7.410 8.370 -1.547 -0.001 0.618 101 V N -3.764 116.106 119.914 -0.075 0.000 2.346 101 V HA -0.310 3.803 4.120 -0.012 0.000 0.244 101 V C 2.002 178.065 176.094 -0.051 0.000 1.037 101 V CA 3.351 65.626 62.300 -0.042 0.000 1.029 101 V CB 0.131 31.927 31.823 -0.046 0.000 0.663 101 V HN -0.822 7.296 8.190 -0.121 0.000 0.454 102 I N 0.477 120.974 120.570 -0.123 0.000 2.194 102 I HA -0.568 3.535 4.170 -0.111 0.000 0.246 102 I C 1.941 177.947 176.117 -0.186 0.000 1.093 102 I CA 4.910 66.097 61.300 -0.188 0.000 1.355 102 I CB 0.069 37.875 38.000 -0.323 0.000 1.046 102 I HN -0.829 7.291 8.210 -0.150 0.000 0.413 103 H N -2.548 116.528 119.070 0.009 0.000 2.563 103 H HA -0.016 4.554 4.556 0.023 0.000 0.264 103 H C 2.125 177.473 175.328 0.034 0.000 0.957 103 H CA 1.954 58.016 56.048 0.023 0.000 1.173 103 H CB 0.401 30.177 29.762 0.023 0.000 1.420 103 H HN -0.545 7.686 8.280 -0.081 0.000 0.551 104 L N 0.040 121.338 121.223 0.124 0.000 2.249 104 L HA -0.118 4.280 4.340 0.098 0.000 0.207 104 L C 1.122 178.035 176.870 0.072 0.000 1.090 104 L CA 1.913 56.806 54.840 0.089 0.000 0.802 104 L CB 0.063 42.158 42.059 0.062 0.000 0.947 104 L HN -0.878 7.232 8.230 0.078 0.168 0.453 105 E N -0.409 119.830 120.200 0.064 0.000 2.076 105 E HA -0.202 4.167 4.350 0.030 0.000 0.190 105 E C 2.137 178.803 176.600 0.109 0.000 0.979 105 E CA 2.789 59.222 56.400 0.055 0.000 0.807 105 E CB -0.065 29.651 29.700 0.028 0.000 0.761 105 E HN -0.012 8.381 8.360 0.054 0.000 0.454 106 V N -3.537 116.484 119.914 0.180 0.000 2.490 106 V HA -0.407 3.948 4.120 0.392 0.000 0.250 106 V C 1.346 177.600 176.094 0.266 0.000 1.061 106 V CA 4.003 66.476 62.300 0.288 0.000 1.064 106 V CB -0.979 31.003 31.823 0.266 0.000 0.670 106 V HN -0.775 7.507 8.190 0.154 0.000 0.461 107 N N 0.013 118.823 118.700 0.183 0.000 2.084 107 N HA -0.302 4.678 4.740 0.213 -0.113 0.190 107 N C 1.840 177.412 175.510 0.103 0.000 1.030 107 N CA 2.966 56.110 53.050 0.157 0.000 0.849 107 N CB -0.103 38.448 38.487 0.107 0.000 1.012 107 N HN -0.591 7.864 8.380 0.159 0.020 0.423 108 K N -2.293 118.137 120.400 0.050 0.000 2.103 108 K HA -0.230 4.087 4.320 -0.006 0.000 0.204 108 K C 1.954 178.492 176.600 -0.103 0.000 1.052 108 K CA 2.108 58.387 56.287 -0.013 0.000 0.945 108 K CB -0.060 32.429 32.500 -0.018 0.000 0.722 108 K HN -0.727 7.559 8.250 0.061 0.000 0.443 109 L N -2.428 118.716 121.223 -0.131 0.000 2.156 109 L HA -0.220 3.818 4.340 -0.504 0.000 0.208 109 L C 0.476 176.731 176.870 -1.026 0.000 1.095 109 L CA 2.008 56.556 54.840 -0.485 0.000 0.770 109 L CB 0.610 42.533 42.059 -0.226 0.000 0.914 109 L HN -0.363 7.784 8.230 -0.011 0.076 0.439 110 Y N -7.926 112.460 120.300 0.143 0.000 2.764 110 Y HA 0.032 4.592 4.550 0.016 0.000 0.331 110 Y C -1.115 174.887 175.900 0.169 0.000 1.280 110 Y CA -0.584 57.570 58.100 0.090 0.000 1.065 110 Y CB 2.131 40.632 38.460 0.068 0.000 1.319 110 Y HN 0.042 8.281 8.280 0.128 0.117 0.453 111 H N -4.500 114.723 119.070 0.256 0.000 1.452 111 H HA -0.392 4.252 4.556 0.146 0.000 0.090 111 H C -1.050 174.341 175.328 0.105 0.000 2.273 111 H CA 2.107 58.249 56.048 0.158 0.000 1.901 111 H CB -0.059 29.790 29.762 0.145 0.000 2.257 111 H HN 0.237 8.428 8.280 -0.147 0.000 0.961 112 E N -3.072 117.270 120.200 0.237 0.000 2.392 112 E HA 0.419 4.917 4.350 0.112 -0.080 0.279 112 E C -2.476 174.180 176.600 0.094 0.000 0.964 112 E CA -2.990 53.487 56.400 0.129 0.000 0.777 112 E CB 0.417 30.174 29.700 0.096 0.000 1.249 112 E HN 0.085 8.619 8.360 0.291 0.000 0.449 113 P HA -0.135 4.300 4.420 0.026 0.000 0.212 113 P C -1.194 176.114 177.300 0.013 0.000 0.974 113 P CA 1.316 64.435 63.100 0.032 0.000 1.226 113 P CB -0.120 31.598 31.700 0.030 0.000 1.258 114 S N -1.261 114.430 115.700 -0.016 0.000 2.824 114 S HA -0.043 4.389 4.470 -0.064 0.000 0.216 114 S C -0.901 173.628 174.600 -0.119 0.000 0.755 114 S CA 0.259 58.431 58.200 -0.048 0.000 1.122 114 S CB 0.496 63.702 63.200 0.010 0.000 1.416 114 S HN -0.487 7.813 8.310 -0.018 0.000 0.522 115 L N 2.224 123.346 121.223 -0.168 0.000 2.417 115 L HA 0.229 4.437 4.340 -0.219 0.000 0.268 115 L C -1.374 175.257 176.870 -0.399 0.000 1.158 115 L CA -1.712 52.972 54.840 -0.260 0.000 0.819 115 L CB -0.303 41.585 42.059 -0.284 0.000 1.112 115 L HN -0.253 7.900 8.230 -0.129 0.000 0.458 116 P HA -0.183 4.014 4.420 -0.371 0.000 0.272 116 P C -1.165 175.808 177.300 -0.545 0.000 1.210 116 P CA 0.505 63.363 63.100 -0.403 0.000 0.789 116 P CB 0.663 32.230 31.700 -0.220 0.000 0.849 117 H N 0.096 118.982 119.070 -0.306 0.000 2.640 117 H HA 0.179 4.633 4.556 -0.171 0.000 0.297 117 H C -1.041 174.147 175.328 -0.232 0.000 1.073 117 H CA 0.438 56.340 56.048 -0.242 0.000 1.305 117 H CB 0.419 30.042 29.762 -0.232 0.000 1.404 117 H HN -0.143 7.938 8.280 -0.331 0.000 0.459 118 I N 4.221 124.779 120.570 -0.020 0.000 2.499 118 I HA 0.413 4.855 4.170 0.077 -0.225 0.288 118 I C -1.504 174.608 176.117 -0.008 0.000 1.048 118 I CA -1.186 60.160 61.300 0.078 0.000 1.062 118 I CB 2.964 41.099 38.000 0.226 0.000 1.238 118 I HN 0.188 8.380 8.210 -0.029 0.000 0.426 119 N N 7.007 125.689 118.700 -0.031 0.000 2.573 119 N HA 0.241 4.651 4.740 -0.551 0.000 0.262 119 N C -0.722 174.804 175.510 0.027 0.000 1.029 119 N CA -0.792 52.155 53.050 -0.172 0.000 0.882 119 N CB 3.095 41.480 38.487 -0.170 0.000 1.204 119 N HN 0.258 8.657 8.380 0.032 0.000 0.519 120 G N 3.484 112.399 108.800 0.192 0.000 2.325 120 G HA2 0.198 4.373 3.960 0.122 0.000 0.298 120 G HA3 0.198 4.285 3.960 0.211 0.000 0.298 120 G C -2.045 172.934 174.900 0.132 0.000 1.134 120 G CA -0.500 44.708 45.100 0.180 0.000 0.876 120 G HN -0.063 8.453 8.290 0.377 0.000 0.452 121 Q N 5.701 125.548 119.800 0.078 0.000 2.337 121 Q HA 0.385 4.763 4.340 0.062 0.000 0.270 121 Q C -1.690 174.341 176.000 0.051 0.000 1.043 121 Q CA -1.655 54.182 55.803 0.056 0.000 0.794 121 Q CB 3.880 32.639 28.738 0.035 0.000 1.281 121 Q HN 0.670 8.873 8.270 0.071 0.110 0.446 122 L N 5.693 126.943 121.223 0.045 0.000 2.331 122 L HA -0.006 4.362 4.340 0.046 0.000 0.278 122 L C -0.357 176.534 176.870 0.035 0.000 1.106 122 L CA 0.686 55.551 54.840 0.041 0.000 0.824 122 L CB 0.849 42.929 42.059 0.036 0.000 1.142 122 L HN 0.406 8.663 8.230 0.045 0.000 0.443 123 L N 3.069 124.314 121.223 0.036 0.000 2.267 123 L HA 0.698 5.054 4.340 0.026 0.000 0.264 123 L C -1.710 175.177 176.870 0.028 0.000 1.021 123 L CA -3.299 51.559 54.840 0.030 0.000 0.861 123 L CB 0.411 42.489 42.059 0.031 0.000 1.443 123 L HN 0.510 8.765 8.230 0.042 0.000 0.475 124 P HA 0.190 4.622 4.420 0.021 0.000 0.280 124 P C -0.650 176.664 177.300 0.023 0.000 1.272 124 P CA -0.812 62.300 63.100 0.021 0.000 0.819 124 P CB 0.809 32.519 31.700 0.017 0.000 1.122 125 N N 0.536 119.248 118.700 0.020 0.000 2.776 125 N HA -0.399 4.351 4.740 0.017 0.000 0.250 125 N C -0.841 174.684 175.510 0.025 0.000 1.112 125 N CA 0.940 54.002 53.050 0.020 0.000 0.733 125 N CB -0.525 37.973 38.487 0.018 0.000 1.097 125 N HN 0.448 8.839 8.380 0.018 0.000 0.558 126 N N -6.709 112.009 118.700 0.030 0.000 2.756 126 N HA -0.354 4.412 4.740 0.043 0.000 0.248 126 N C -2.097 173.443 175.510 0.049 0.000 1.062 126 N CA 1.435 54.509 53.050 0.039 0.000 0.696 126 N CB -1.992 36.516 38.487 0.035 0.000 0.946 126 N HN 0.351 8.715 8.380 0.027 0.033 0.548 127 Q N -4.266 115.563 119.800 0.048 0.000 2.377 127 Q HA 0.545 5.054 4.340 0.062 -0.133 0.271 127 Q C -1.421 174.615 176.000 0.060 0.000 1.077 127 Q CA -1.279 54.556 55.803 0.054 0.000 0.820 127 Q CB 4.525 33.288 28.738 0.042 0.000 1.347 127 Q HN -0.794 7.501 8.270 0.042 0.000 0.444 128 I N 0.373 120.986 120.570 0.072 0.000 2.499 128 I HA 0.447 4.763 4.170 0.061 -0.109 0.288 128 I C -2.231 173.925 176.117 0.065 0.000 1.048 128 I CA -1.311 60.031 61.300 0.071 0.000 1.062 128 I CB 3.731 41.784 38.000 0.088 0.000 1.238 128 I HN 0.311 8.567 8.210 0.077 0.000 0.426 129 A N 7.263 130.117 122.820 0.056 0.000 2.260 129 A HA 0.429 4.782 4.320 0.056 0.000 0.312 129 A C -2.416 175.205 177.584 0.062 0.000 1.321 129 A CA -1.475 50.594 52.037 0.054 0.000 0.928 129 A CB 0.989 20.015 19.000 0.043 0.000 1.158 129 A HN 1.023 9.205 8.150 0.053 0.000 0.542 130 L N 6.315 127.581 121.223 0.071 0.000 2.294 130 L HA 0.417 4.955 4.340 0.092 -0.143 0.283 130 L C -1.957 174.975 176.870 0.102 0.000 1.015 130 L CA -1.031 53.863 54.840 0.089 0.000 0.831 130 L CB 3.086 45.198 42.059 0.088 0.000 1.217 130 L HN 0.735 9.007 8.230 0.069 0.000 0.420 131 R N 6.988 127.543 120.500 0.092 0.000 2.404 131 R HA 0.295 4.827 4.340 0.112 -0.124 0.291 131 R C -1.771 174.624 176.300 0.159 0.000 1.025 131 R CA -1.080 55.077 56.100 0.094 0.000 0.991 131 R CB 2.464 32.772 30.300 0.014 0.000 1.053 131 R HN 0.312 8.523 8.270 0.072 0.102 0.479 132 Y N 7.092 127.422 120.300 0.049 0.000 2.492 132 Y HA 0.879 5.680 4.550 0.071 -0.209 0.346 132 Y C -2.491 173.468 175.900 0.098 0.000 0.997 132 Y CA -1.861 56.280 58.100 0.068 0.000 1.025 132 Y CB 4.087 42.582 38.460 0.060 0.000 1.263 132 Y HN -0.309 8.114 8.280 0.238 0.000 0.454 133 S N 3.880 119.171 115.700 -0.681 0.000 2.548 133 S HA 0.311 4.766 4.470 -0.025 0.000 0.278 133 S C -2.023 172.357 174.600 -0.367 0.000 1.150 133 S CA -0.350 57.683 58.200 -0.279 0.000 0.907 133 S CB 2.502 65.727 63.200 0.042 0.000 1.108 133 S HN 0.046 7.676 8.310 -1.132 0.000 0.459 134 S N 1.294 116.924 115.700 -0.116 0.000 2.697 134 S HA 0.324 4.847 4.470 0.088 0.000 0.313 134 S C -1.670 172.976 174.600 0.077 0.000 0.954 134 S CA -0.041 58.160 58.200 0.001 0.000 0.831 134 S CB 0.472 63.615 63.200 -0.095 0.000 1.030 134 S HN -0.020 8.298 8.310 0.014 0.000 0.466 135 P HA -0.258 4.180 4.420 0.030 0.000 0.218 135 P C 0.877 178.208 177.300 0.052 0.000 1.152 135 P CA 2.380 65.505 63.100 0.042 0.000 0.857 135 P CB 0.211 31.926 31.700 0.025 0.000 0.787 136 R N -5.376 115.168 120.500 0.072 0.000 2.276 136 R HA -0.304 4.048 4.340 0.020 0.000 0.243 136 R C 0.117 176.483 176.300 0.111 0.000 1.161 136 R CA 1.370 57.516 56.100 0.076 0.000 1.007 136 R CB -0.480 29.888 30.300 0.115 0.000 0.867 136 R HN -0.109 8.181 8.270 0.073 0.023 0.472 137 R N -7.050 113.554 120.500 0.173 0.000 3.782 137 R HA -0.437 4.068 4.340 0.276 0.000 0.276 137 R C -0.247 176.161 176.300 0.180 0.000 1.178 137 R CA 1.187 57.407 56.100 0.199 0.000 0.783 137 R CB -2.906 27.476 30.300 0.136 0.000 1.146 137 R HN 0.086 8.271 8.270 0.179 0.193 0.507 138 L N -0.679 120.655 121.223 0.185 0.000 2.779 138 L HA 0.157 4.607 4.340 0.184 0.000 0.239 138 L C 1.145 178.023 176.870 0.013 0.000 1.245 138 L CA -0.959 53.970 54.840 0.149 0.000 1.064 138 L CB -0.095 42.064 42.059 0.166 0.000 1.350 138 L HN -0.315 7.993 8.230 0.237 0.064 0.455 139 C N -0.116 119.088 119.300 -0.160 0.000 2.396 139 C HA -0.427 3.359 4.460 -1.123 0.000 0.277 139 C C 1.027 175.849 174.990 -0.280 0.000 1.231 139 C CA 2.740 61.418 59.018 -0.567 0.000 1.775 139 C CB -1.044 26.375 27.740 -0.534 0.000 2.036 139 C HN -0.024 8.072 8.230 -0.021 0.122 0.484 140 F N 1.140 120.974 119.950 -0.193 0.000 2.184 140 F HA -0.300 4.125 4.527 -0.170 0.000 0.301 140 F C 1.520 177.274 175.800 -0.077 0.000 1.076 140 F CA 2.732 60.651 58.000 -0.136 0.000 1.295 140 F CB -0.638 38.306 39.000 -0.093 0.000 1.026 140 F HN -0.116 8.191 8.300 0.031 0.012 0.494 141 C N -1.425 117.967 119.300 0.153 0.000 2.466 141 C HA -0.261 4.292 4.460 0.154 0.000 0.278 141 C C 1.154 176.191 174.990 0.079 0.000 1.288 141 C CA 2.546 61.637 59.018 0.122 0.000 1.722 141 C CB 0.041 27.846 27.740 0.108 0.000 2.017 141 C HN 0.296 8.442 8.230 0.113 0.152 0.488 142 A N 0.036 122.835 122.820 -0.034 0.000 1.940 142 A HA -0.379 3.961 4.320 0.035 0.000 0.219 142 A C 2.020 179.591 177.584 -0.023 0.000 1.176 142 A CA 3.141 55.147 52.037 -0.051 0.000 0.631 142 A CB -1.068 17.786 19.000 -0.244 0.000 0.814 142 A HN -0.156 7.826 8.150 -0.122 0.095 0.446 143 E N -1.855 118.336 120.200 -0.015 0.000 2.031 143 E HA -0.421 3.877 4.350 -0.087 0.000 0.193 143 E C 2.705 179.420 176.600 0.190 0.000 0.994 143 E CA 2.793 59.221 56.400 0.046 0.000 0.800 143 E CB -0.169 29.621 29.700 0.150 0.000 0.752 143 E HN -0.442 7.880 8.360 -0.045 0.011 0.447 144 G N -0.809 108.159 108.800 0.280 0.000 2.440 144 G HA2 -0.307 3.940 3.960 0.478 0.000 0.218 144 G HA3 -0.307 3.971 3.960 0.250 -0.168 0.218 144 G C 1.221 176.245 174.900 0.206 0.000 1.154 144 G CA 1.972 47.262 45.100 0.316 0.000 0.767 144 G HN -0.693 7.741 8.290 0.241 0.000 0.552 145 L N 1.818 123.122 121.223 0.135 0.000 2.042 145 L HA -0.391 4.056 4.340 0.179 0.000 0.210 145 L C 2.457 179.272 176.870 -0.091 0.000 1.076 145 L CA 2.784 57.692 54.840 0.113 0.000 0.749 145 L CB -0.305 41.865 42.059 0.186 0.000 0.893 145 L HN -0.246 8.060 8.230 0.135 0.005 0.432 146 L N -1.971 119.179 121.223 -0.123 0.000 2.083 146 L HA -0.449 3.817 4.340 -0.124 0.000 0.209 146 L C 2.477 179.194 176.870 -0.256 0.000 1.083 146 L CA 3.052 57.773 54.840 -0.197 0.000 0.752 146 L CB -0.369 41.516 42.059 -0.291 0.000 0.899 146 L HN -0.507 7.676 8.230 -0.079 0.000 0.433 147 F N -1.809 118.108 119.950 -0.054 0.000 2.259 147 F HA -0.164 4.275 4.527 -0.147 0.000 0.298 147 F C 2.737 178.425 175.800 -0.187 0.000 1.088 147 F CA 3.417 61.349 58.000 -0.113 0.000 1.358 147 F CB -0.916 38.046 39.000 -0.063 0.000 1.040 147 F HN -0.331 7.792 8.300 -0.157 0.084 0.505 148 G N -0.956 107.825 108.800 -0.032 0.000 2.418 148 G HA2 -0.422 3.489 3.960 -0.083 0.000 0.217 148 G HA3 -0.422 3.643 3.960 -0.070 -0.147 0.217 148 G C 0.485 175.147 174.900 -0.398 0.000 1.158 148 G CA 2.017 47.032 45.100 -0.141 0.000 0.771 148 G HN 0.225 8.438 8.290 0.016 0.086 0.545 149 A N 1.578 123.896 122.820 -0.836 0.000 1.968 149 A HA -0.161 3.556 4.320 -1.004 0.000 0.217 149 A C 1.474 178.654 177.584 -0.673 0.000 1.169 149 A CA 2.327 53.713 52.037 -1.086 0.000 0.638 149 A CB -0.372 17.708 19.000 -1.534 0.000 0.812 149 A HN -0.282 7.364 8.150 -0.839 0.000 0.446 150 A N -1.250 121.385 122.820 -0.308 0.000 1.858 150 A HA -0.411 3.763 4.320 -0.243 0.000 0.216 150 A C 1.771 179.177 177.584 -0.297 0.000 1.190 150 A CA 2.862 54.684 52.037 -0.359 0.000 0.617 150 A CB -0.814 17.858 19.000 -0.546 0.000 0.827 150 A HN -0.515 7.386 8.150 -0.250 0.099 0.443 151 Q N -0.405 119.252 119.800 -0.238 0.000 2.020 151 Q HA -0.483 3.797 4.340 -0.100 0.000 0.202 151 Q C 1.994 177.890 176.000 -0.172 0.000 0.982 151 Q CA 3.315 59.027 55.803 -0.152 0.000 0.838 151 Q CB -0.006 28.670 28.738 -0.104 0.000 0.899 151 Q HN -0.020 8.126 8.270 -0.207 0.000 0.423 152 H N -1.777 116.992 119.070 -0.502 0.000 2.472 152 H HA -0.243 4.170 4.556 -0.239 0.000 0.296 152 H C 0.731 175.894 175.328 -0.274 0.000 1.120 152 H CA 2.194 57.933 56.048 -0.515 0.000 1.250 152 H CB 0.260 29.539 29.762 -0.805 0.000 1.366 152 H HN -0.422 7.650 8.280 -0.346 0.000 0.524 153 F N -4.361 115.667 119.950 0.131 0.000 2.855 153 F HA 0.250 4.783 4.527 0.011 0.000 0.317 153 F C -1.352 174.469 175.800 0.035 0.000 1.169 153 F CA -2.000 56.035 58.000 0.058 0.000 1.299 153 F CB -0.893 38.179 39.000 0.120 0.000 0.962 153 F HN -0.792 6.969 8.300 -0.624 0.164 0.506 154 Q N -0.649 119.213 119.800 0.103 0.000 2.385 154 Q HA -0.438 3.931 4.340 0.017 -0.018 0.311 154 Q C -1.161 174.861 176.000 0.037 0.000 1.259 154 Q CA 1.187 57.020 55.803 0.051 0.000 0.921 154 Q CB -1.533 27.240 28.738 0.059 0.000 1.209 154 Q HN 0.421 8.574 8.270 0.065 0.156 0.473 155 Q N -0.559 119.246 119.800 0.009 0.000 2.357 155 Q HA 0.144 4.474 4.340 -0.017 0.000 0.266 155 Q C -1.667 174.256 176.000 -0.127 0.000 1.021 155 Q CA -1.213 54.566 55.803 -0.040 0.000 0.784 155 Q CB 1.173 29.904 28.738 -0.011 0.000 1.243 155 Q HN -0.284 7.874 8.270 -0.013 0.105 0.465 156 K N 6.380 126.729 120.400 -0.085 0.000 2.249 156 K HA 0.031 4.314 4.320 -0.062 0.000 0.280 156 K C -0.844 175.699 176.600 -0.095 0.000 1.033 156 K CA 0.087 56.332 56.287 -0.071 0.000 0.946 156 K CB 0.807 33.287 32.500 -0.034 0.000 1.005 156 K HN 0.377 8.595 8.250 -0.054 0.000 0.469 157 I N -4.456 116.080 120.570 -0.057 0.000 3.195 157 I HA 0.655 4.895 4.170 -0.048 -0.098 0.313 157 I C -1.967 174.214 176.117 0.108 0.000 1.237 157 I CA -2.383 58.888 61.300 -0.048 0.000 0.963 157 I CB 4.399 42.259 38.000 -0.233 0.000 1.278 157 I HN -0.057 8.160 8.210 0.012 0.000 0.460 158 Q N 0.604 120.461 119.800 0.095 0.000 2.372 158 Q HA 0.419 4.922 4.340 0.271 0.000 0.273 158 Q C -2.087 173.996 176.000 0.139 0.000 1.078 158 Q CA -1.509 54.391 55.803 0.161 0.000 0.806 158 Q CB 4.411 33.204 28.738 0.090 0.000 1.332 158 Q HN -0.030 8.264 8.270 0.040 0.000 0.435 159 I N 4.902 125.602 120.570 0.217 0.000 2.436 159 I HA 0.581 5.038 4.170 0.081 -0.239 0.289 159 I C -0.897 175.305 176.117 0.141 0.000 1.010 159 I CA -1.672 59.715 61.300 0.144 0.000 1.098 159 I CB 2.777 40.848 38.000 0.119 0.000 1.266 159 I HN 0.251 8.657 8.210 0.328 0.000 0.434 160 S N 7.676 123.431 115.700 0.092 0.000 2.498 160 S HA 0.285 4.782 4.470 0.046 0.000 0.324 160 S C -1.407 173.234 174.600 0.067 0.000 1.071 160 S CA -1.607 56.627 58.200 0.056 0.000 1.113 160 S CB 0.769 63.984 63.200 0.025 0.000 0.976 160 S HN 0.280 8.636 8.310 0.077 0.000 0.462 161 H N 6.983 126.050 119.070 -0.006 0.000 2.683 161 H HA 0.789 5.576 4.556 -0.009 -0.236 0.270 161 H C -0.440 174.874 175.328 -0.024 0.000 1.201 161 H CA -1.338 54.695 56.048 -0.025 0.000 1.277 161 H CB 0.522 30.239 29.762 -0.075 0.000 1.400 161 H HN 0.659 8.948 8.280 0.014 0.000 0.504 162 D N 5.104 125.429 120.400 -0.124 0.000 2.338 162 D HA 0.177 4.660 4.640 -0.262 0.000 0.208 162 D C 0.104 176.393 176.300 -0.018 0.000 0.997 162 D CA 1.656 55.574 54.000 -0.136 0.000 0.880 162 D CB 1.028 41.786 40.800 -0.070 0.000 0.980 162 D HN 0.354 8.713 8.370 -0.019 0.000 0.509 163 T N 3.645 118.237 114.554 0.063 0.000 2.749 163 T HA 0.193 4.589 4.350 0.077 0.000 0.287 163 T C -1.682 173.114 174.700 0.159 0.000 0.970 163 T CA 0.124 62.283 62.100 0.098 0.000 0.980 163 T CB 0.890 69.814 68.868 0.093 0.000 0.924 163 T HN -0.402 7.881 8.240 0.071 0.000 0.456 164 C N 6.313 125.705 119.300 0.153 0.000 2.551 164 C HA 0.214 4.766 4.460 0.154 0.000 0.332 164 C C -0.023 175.053 174.990 0.142 0.000 1.139 164 C CA -1.192 57.922 59.018 0.160 0.000 1.328 164 C CB 2.334 30.177 27.740 0.171 0.000 1.903 164 C HN 0.974 9.278 8.230 0.124 0.000 0.459 165 M N 8.911 128.596 119.600 0.141 0.000 2.426 165 M HA -0.322 4.278 4.480 0.037 -0.098 0.261 165 M C 0.247 176.601 176.300 0.090 0.000 1.068 165 M CA 2.929 58.283 55.300 0.091 0.000 1.066 165 M CB 0.010 32.673 32.600 0.106 0.000 1.399 165 M HN 0.397 8.790 8.290 0.171 0.000 0.449 166 H N -1.202 117.894 119.070 0.043 0.000 2.524 166 H HA -0.055 4.523 4.556 0.036 0.000 0.282 166 H C 0.535 175.884 175.328 0.035 0.000 1.016 166 H CA 1.993 58.065 56.048 0.039 0.000 1.270 166 H CB 0.310 30.098 29.762 0.042 0.000 1.394 166 H HN -0.645 7.709 8.280 0.235 0.066 0.568 167 T N -0.393 114.275 114.554 0.190 0.000 3.287 167 T HA 0.025 4.472 4.350 0.161 0.000 0.253 167 T C 0.072 174.794 174.700 0.037 0.000 0.975 167 T CA 0.086 62.269 62.100 0.137 0.000 0.912 167 T CB 0.234 69.188 68.868 0.144 0.000 1.071 167 T HN 0.136 8.310 8.240 0.182 0.175 0.578 168 G N 1.127 109.919 108.800 -0.013 0.000 2.225 168 G HA2 -0.410 3.516 3.960 -0.055 0.000 0.254 168 G HA3 -0.410 3.535 3.960 -0.025 0.000 0.254 168 G C -0.563 174.315 174.900 -0.036 0.000 0.988 168 G CA 0.151 45.231 45.100 -0.033 0.000 0.625 168 G HN -0.455 7.718 8.290 -0.037 0.095 0.527 169 A N 0.604 123.416 122.820 -0.014 0.000 2.448 169 A HA -0.014 4.282 4.320 -0.040 0.000 0.239 169 A C 0.293 177.810 177.584 -0.112 0.000 1.080 169 A CA -0.547 51.469 52.037 -0.035 0.000 0.779 169 A CB 0.676 19.686 19.000 0.017 0.000 1.026 169 A HN -0.535 7.525 8.150 0.016 0.100 0.499 170 D N -3.312 116.947 120.400 -0.235 0.000 2.348 170 D HA -0.132 4.289 4.640 -0.366 0.000 0.211 170 D C -0.770 174.984 176.300 -0.911 0.000 0.998 170 D CA 1.273 54.947 54.000 -0.544 0.000 0.873 170 D CB 0.542 40.947 40.800 -0.657 0.000 0.925 170 D HN 0.327 8.588 8.370 -0.182 0.000 0.524 171 H N -3.903 115.180 119.070 0.020 0.000 3.590 171 H HA 0.187 4.760 4.556 0.028 0.000 0.318 171 H C -1.900 173.481 175.328 0.088 0.000 1.648 171 H CA -0.407 55.662 56.048 0.035 0.000 1.174 171 H CB 2.616 32.382 29.762 0.006 0.000 1.702 171 H HN -0.656 7.497 8.280 -0.132 0.048 0.713 172 C N -2.958 116.510 119.300 0.279 0.000 3.090 172 C HA 0.262 4.866 4.460 0.183 -0.034 0.305 172 C C -1.721 173.377 174.990 0.179 0.000 1.292 172 C CA -1.427 57.724 59.018 0.221 0.000 1.482 172 C CB 4.584 32.486 27.740 0.270 0.000 1.897 172 C HN 0.131 8.542 8.230 0.301 0.000 0.469 173 M N 2.707 122.394 119.600 0.144 0.000 2.106 173 M HA 0.247 4.792 4.480 0.108 0.000 0.288 173 M C -2.796 173.567 176.300 0.106 0.000 0.941 173 M CA -0.479 54.887 55.300 0.110 0.000 0.934 173 M CB 2.571 35.221 32.600 0.083 0.000 1.551 173 M HN 0.551 8.833 8.290 0.148 0.096 0.437 174 L N 7.432 128.713 121.223 0.097 0.000 2.316 174 L HA 0.491 5.056 4.340 0.099 -0.166 0.280 174 L C -1.943 174.968 176.870 0.068 0.000 1.006 174 L CA -0.971 53.919 54.840 0.083 0.000 0.836 174 L CB 2.389 44.483 42.059 0.058 0.000 1.221 174 L HN 0.630 8.921 8.230 0.101 0.000 0.418 175 I N 4.803 125.410 120.570 0.063 0.000 2.312 175 I HA 0.387 4.748 4.170 0.057 -0.157 0.290 175 I C -0.508 175.642 176.117 0.056 0.000 1.008 175 I CA -2.802 58.531 61.300 0.056 0.000 1.226 175 I CB 0.018 38.047 38.000 0.047 0.000 1.371 175 I HN 0.214 8.464 8.210 0.067 0.000 0.468 176 I N 8.131 128.738 120.570 0.063 0.000 2.306 176 I HA 0.380 4.791 4.170 0.045 -0.214 0.288 176 I C -0.918 175.242 176.117 0.072 0.000 1.036 176 I CA -1.083 60.257 61.300 0.067 0.000 1.221 176 I CB 0.427 38.497 38.000 0.116 0.000 1.385 176 I HN 0.913 9.164 8.210 0.069 0.000 0.472 177 E N 8.346 128.578 120.200 0.053 0.000 2.259 177 E HA 0.189 4.568 4.350 0.049 0.000 0.281 177 E C -1.297 175.323 176.600 0.032 0.000 1.027 177 E CA -0.985 55.442 56.400 0.044 0.000 0.838 177 E CB 1.971 31.694 29.700 0.037 0.000 1.066 177 E HN 0.416 8.807 8.360 0.051 0.000 0.401 178 L N 6.637 127.882 121.223 0.036 0.000 2.275 178 L HA 0.170 4.503 4.340 -0.011 0.000 0.288 178 L C -0.082 176.795 176.870 0.010 0.000 1.046 178 L CA -0.554 54.297 54.840 0.020 0.000 0.805 178 L CB 0.431 42.520 42.059 0.050 0.000 1.193 178 L HN -0.120 8.138 8.230 0.046 0.000 0.426 179 Q N 4.283 124.079 119.800 -0.005 0.000 2.288 179 Q HA -0.028 4.315 4.340 0.004 0.000 0.254 179 Q C -0.156 175.844 176.000 0.001 0.000 0.932 179 Q CA 0.331 56.133 55.803 -0.002 0.000 0.902 179 Q CB 0.913 29.646 28.738 -0.008 0.000 1.203 179 Q HN -0.064 8.192 8.270 -0.023 0.000 0.415 180 N N 1.727 120.429 118.700 0.004 0.000 2.204 180 N HA 0.019 4.762 4.740 0.005 0.000 0.219 180 N C -0.239 175.272 175.510 0.002 0.000 1.151 180 N CA -0.414 52.639 53.050 0.004 0.000 0.867 180 N CB 0.097 38.588 38.487 0.007 0.000 1.043 180 N HN 0.058 8.441 8.380 0.005 0.000 0.516 181 D N 0.000 120.400 120.400 0.000 0.000 6.856 181 D HA 0.000 4.640 4.640 0.000 0.000 0.175 181 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 181 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 181 D HN 0.000 8.301 8.370 -0.000 0.069 0.683