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 2ddo_1_B DATA FIRST_RESID 5 DATA SEQUENCE LLFNDKSRAL QADIVAVQSQ VVYGSVGNSI AVPAIKQNGL NVFAVPTVLL DATA SEQUENCE SNTPHYDTFY GGAIPDEWFS GYLRALQERD ALRQLRAVTT GYMGTASQIK DATA SEQUENCE ILAEWLTALR KDHPDLLIMV DPVIGDXXXX XYVKPDLPEA YRQYLLPLAQ DATA SEQUENCE GITPNIFELE ILTGKNCRDL DSAIAAAKSL LSDTLKWVVV TSASXXXENQ DATA SEQUENCE EMQVVVVTAD SVNVISHSRV KTDLKGTGDL FCAQLISGLL KGKALTDAVH DATA SEQUENCE RAGLRVLEVM RYTQQHESDE LILPPL 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 5 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 5 L C 0.000 176.794 176.870 -0.127 0.000 1.165 5 L CA 0.000 54.749 54.840 -0.152 0.000 0.813 5 L CB 0.000 41.999 42.059 -0.101 0.000 0.961 6 L N 1.957 123.038 121.223 -0.237 0.000 2.209 6 L HA 0.106 4.447 4.340 0.003 0.000 0.207 6 L C 1.503 178.453 176.870 0.133 0.000 1.094 6 L CA 1.431 56.208 54.840 -0.106 0.000 0.790 6 L CB -0.028 41.924 42.059 -0.178 0.000 0.932 6 L HN 0.546 8.776 8.230 -0.000 0.000 0.447 7 F N -0.081 119.865 119.950 -0.006 0.000 2.769 7 F HA 0.066 4.594 4.527 0.002 0.000 0.304 7 F C 0.681 176.479 175.800 -0.003 0.000 1.158 7 F CA -0.534 57.464 58.000 -0.005 0.000 1.398 7 F CB -0.422 38.574 39.000 -0.006 0.000 1.094 7 F HN 0.154 8.454 8.300 -0.000 0.000 0.553 8 N N 1.250 120.041 118.700 0.150 0.000 2.499 8 N HA 0.051 4.792 4.740 0.003 0.000 0.281 8 N C -0.388 175.167 175.510 0.076 0.000 1.098 8 N CA -0.698 52.405 53.050 0.088 0.000 0.979 8 N CB 0.892 39.407 38.487 0.047 0.000 1.121 8 N HN 0.040 8.420 8.380 -0.000 0.000 0.466 9 D N 1.362 121.797 120.400 0.059 0.000 2.384 9 D HA 0.056 4.698 4.640 0.003 0.000 0.244 9 D C 0.588 176.913 176.300 0.042 0.000 1.251 9 D CA 0.193 54.220 54.000 0.046 0.000 0.961 9 D CB 0.525 41.346 40.800 0.034 0.000 1.116 9 D HN 0.448 8.818 8.370 -0.000 0.000 0.484 10 K N 0.152 120.573 120.400 0.035 0.000 2.322 10 K HA 0.219 4.541 4.320 0.003 0.000 0.283 10 K C 0.127 176.747 176.600 0.034 0.000 1.042 10 K CA -0.426 55.882 56.287 0.034 0.000 0.958 10 K CB 0.651 33.169 32.500 0.029 0.000 0.984 10 K HN 0.322 8.572 8.250 -0.000 0.000 0.473 11 S N 1.583 117.306 115.700 0.039 0.000 2.452 11 S HA 0.248 4.719 4.470 0.003 0.000 0.284 11 S C 0.583 175.206 174.600 0.039 0.000 1.171 11 S CA -0.597 57.627 58.200 0.040 0.000 1.064 11 S CB 0.319 63.549 63.200 0.050 0.000 0.967 11 S HN 0.593 8.903 8.310 -0.000 0.000 0.484 12 R N 2.746 123.266 120.500 0.033 0.000 2.319 12 R HA 0.195 4.536 4.340 0.003 0.000 0.204 12 R C 0.765 177.088 176.300 0.038 0.000 0.954 12 R CA 0.100 56.218 56.100 0.031 0.000 1.066 12 R CB -0.088 30.226 30.300 0.023 0.000 0.991 12 R HN 0.594 8.864 8.270 -0.000 0.000 0.486 13 A N 0.835 123.684 122.820 0.047 0.000 2.264 13 A HA 0.437 4.759 4.320 0.003 0.000 0.304 13 A C 0.145 177.788 177.584 0.098 0.000 1.100 13 A CA -0.633 51.441 52.037 0.061 0.000 0.839 13 A CB 0.526 19.556 19.000 0.050 0.000 1.121 13 A HN 0.154 8.304 8.150 -0.000 0.000 0.496 14 L N 0.876 122.186 121.223 0.146 0.000 2.452 14 L HA 0.244 4.586 4.340 0.003 0.000 0.267 14 L C 0.229 177.283 176.870 0.307 0.000 1.188 14 L CA -0.276 54.686 54.840 0.203 0.000 0.821 14 L CB 0.220 42.439 42.059 0.266 0.000 1.102 14 L HN 0.621 8.851 8.230 -0.000 0.000 0.470 15 Q N 1.352 121.264 119.800 0.188 0.000 2.413 15 Q HA 0.805 5.147 4.340 0.003 0.000 0.276 15 Q C -1.107 174.868 176.000 -0.042 0.000 1.099 15 Q CA -0.702 55.208 55.803 0.179 0.000 0.814 15 Q CB 2.562 31.360 28.738 0.101 0.000 1.379 15 Q HN 0.717 8.987 8.270 -0.000 0.000 0.436 16 A N 0.937 123.743 122.820 -0.022 0.000 2.515 16 A HA 0.514 4.836 4.320 0.003 0.000 0.298 16 A C -0.333 177.224 177.584 -0.045 0.000 1.059 16 A CA -0.576 51.318 52.037 -0.238 0.000 0.698 16 A CB 1.000 19.534 19.000 -0.777 0.000 1.289 16 A HN 0.673 8.823 8.150 -0.000 0.000 0.404 17 D N 0.520 120.882 120.400 -0.063 0.000 2.323 17 D HA 0.134 4.775 4.640 0.003 0.000 0.209 17 D C 0.264 176.566 176.300 0.003 0.000 0.973 17 D CA 1.309 55.298 54.000 -0.018 0.000 0.874 17 D CB 0.419 41.206 40.800 -0.022 0.000 0.930 17 D HN 0.512 8.882 8.370 -0.000 0.000 0.521 18 I N 0.467 121.037 120.570 0.001 0.000 2.769 18 I HA 0.221 4.393 4.170 0.003 0.000 0.298 18 I C -1.014 175.167 176.117 0.107 0.000 1.128 18 I CA -1.019 60.310 61.300 0.048 0.000 1.031 18 I CB 3.371 41.390 38.000 0.032 0.000 1.235 18 I HN -0.402 7.808 8.210 -0.000 0.000 0.423 19 V N 3.976 123.992 119.914 0.170 0.000 2.376 19 V HA 0.599 4.720 4.120 0.003 0.000 0.287 19 V C 0.038 176.241 176.094 0.183 0.000 1.015 19 V CA -0.521 61.921 62.300 0.237 0.000 0.834 19 V CB 1.491 33.527 31.823 0.354 0.000 1.001 19 V HN 0.800 8.990 8.190 -0.000 0.000 0.428 20 A N 5.163 128.074 122.820 0.150 0.000 2.258 20 A HA 0.745 5.067 4.320 0.003 0.000 0.316 20 A C -0.477 177.197 177.584 0.150 0.000 1.279 20 A CA -0.441 51.679 52.037 0.138 0.000 0.876 20 A CB 0.934 19.999 19.000 0.109 0.000 1.170 20 A HN 0.662 8.812 8.150 -0.000 0.000 0.520 21 V N 4.312 124.330 119.914 0.174 0.000 2.334 21 V HA 0.406 4.528 4.120 0.003 0.000 0.267 21 V C 0.173 176.390 176.094 0.205 0.000 1.040 21 V CA 0.126 62.553 62.300 0.212 0.000 0.866 21 V CB -0.185 31.792 31.823 0.258 0.000 1.019 21 V HN 1.063 9.253 8.190 -0.000 0.000 0.468 22 Q N 1.988 121.908 119.800 0.199 0.000 2.832 22 Q HA 0.482 4.823 4.340 0.003 0.000 0.331 22 Q C -0.479 175.641 176.000 0.201 0.000 0.833 22 Q CA -0.837 55.086 55.803 0.199 0.000 0.794 22 Q CB 2.147 30.990 28.738 0.176 0.000 1.387 22 Q HN 0.718 8.988 8.270 -0.000 0.000 0.508 23 S N 0.007 115.833 115.700 0.211 0.000 2.614 23 S HA 0.366 4.837 4.470 0.003 0.000 0.265 23 S C -0.503 174.175 174.600 0.130 0.000 1.303 23 S CA -0.550 57.759 58.200 0.182 0.000 1.000 23 S CB 1.334 64.621 63.200 0.145 0.000 0.935 23 S HN 0.512 8.822 8.310 -0.000 0.000 0.551 24 Q N 0.386 120.257 119.800 0.119 0.000 2.305 24 Q HA 0.556 4.898 4.340 0.003 0.000 0.271 24 Q C -1.698 174.357 176.000 0.092 0.000 1.046 24 Q CA -0.896 54.965 55.803 0.097 0.000 0.798 24 Q CB 1.972 30.770 28.738 0.100 0.000 1.286 24 Q HN 0.826 9.096 8.270 -0.000 0.000 0.435 25 V N 0.972 120.929 119.914 0.073 0.000 2.555 25 V HA 0.439 4.560 4.120 0.003 0.000 0.302 25 V C 0.828 176.967 176.094 0.074 0.000 1.038 25 V CA -0.772 61.577 62.300 0.082 0.000 0.887 25 V CB 1.250 33.116 31.823 0.071 0.000 0.991 25 V HN 0.688 8.878 8.190 -0.000 0.000 0.434 26 V N 2.404 122.380 119.914 0.103 0.000 2.261 26 V HA -0.142 3.980 4.120 0.003 0.000 0.246 26 V C 0.802 176.961 176.094 0.108 0.000 1.047 26 V CA 2.039 64.398 62.300 0.099 0.000 1.015 26 V CB -0.513 31.378 31.823 0.112 0.000 0.642 26 V HN 0.925 9.115 8.190 -0.000 0.000 0.446 27 Y N 0.369 120.680 120.300 0.017 0.000 2.342 27 Y HA 0.627 5.178 4.550 0.002 0.000 0.338 27 Y C 0.084 175.987 175.900 0.004 0.000 0.965 27 Y CA 0.077 58.175 58.100 -0.005 0.000 1.159 27 Y CB 0.826 39.258 38.460 -0.047 0.000 1.157 27 Y HN 0.267 8.547 8.280 -0.000 0.000 0.486 28 G N 2.358 110.798 108.800 -0.600 0.000 2.359 28 G HA2 0.187 4.148 3.960 0.003 0.000 0.314 28 G HA3 0.187 4.148 3.960 0.003 0.000 0.314 28 G C -1.383 173.406 174.900 -0.186 0.000 1.364 28 G CA -0.610 44.258 45.100 -0.386 0.000 0.978 28 G HN 0.578 8.868 8.290 -0.000 0.000 0.615 29 S N 0.185 115.830 115.700 -0.092 0.000 2.272 29 S HA 0.556 5.028 4.470 0.003 0.000 0.207 29 S C 0.151 174.759 174.600 0.013 0.000 1.336 29 S CA 0.141 58.321 58.200 -0.033 0.000 1.259 29 S CB 0.419 63.604 63.200 -0.026 0.000 1.130 29 S HN 1.823 10.133 8.310 -0.000 0.000 0.444 30 V N -1.946 117.982 119.914 0.023 0.000 3.074 30 V HA 1.050 5.172 4.120 0.003 0.000 0.314 30 V C 0.705 176.829 176.094 0.050 0.000 1.117 30 V CA -0.024 62.301 62.300 0.042 0.000 1.014 30 V CB 0.678 32.526 31.823 0.042 0.000 1.057 30 V HN 0.734 8.924 8.190 -0.000 0.000 0.438 31 G N 2.192 111.033 108.800 0.068 0.000 2.582 31 G HA2 -0.314 3.648 3.960 0.003 0.000 0.288 31 G HA3 -0.314 3.648 3.960 0.003 0.000 0.288 31 G C 0.484 175.431 174.900 0.079 0.000 1.247 31 G CA 0.779 45.932 45.100 0.088 0.000 0.972 31 G HN 1.114 9.404 8.290 -0.000 0.000 0.557 32 N N 0.717 119.467 118.700 0.083 0.000 2.459 32 N HA -0.024 4.718 4.740 0.003 0.000 0.181 32 N C 2.382 177.920 175.510 0.047 0.000 1.046 32 N CA 1.341 54.432 53.050 0.068 0.000 0.904 32 N CB -0.248 38.285 38.487 0.076 0.000 0.964 32 N HN 0.432 8.812 8.380 -0.000 0.000 0.444 33 S N 0.697 116.423 115.700 0.044 0.000 2.442 33 S HA -0.060 4.412 4.470 0.003 0.000 0.236 33 S C 1.686 176.296 174.600 0.015 0.000 1.007 33 S CA 0.552 58.766 58.200 0.024 0.000 0.965 33 S CB 0.129 63.339 63.200 0.017 0.000 0.773 33 S HN 0.255 8.565 8.310 -0.000 0.000 0.504 34 I N 0.159 120.744 120.570 0.026 0.000 4.244 34 I HA 0.386 4.557 4.170 0.003 0.000 0.318 34 I C 1.902 178.037 176.117 0.030 0.000 1.282 34 I CA 0.184 61.499 61.300 0.025 0.000 1.276 34 I CB -0.506 37.514 38.000 0.032 0.000 1.183 34 I HN 0.092 8.302 8.210 -0.000 0.000 0.431 35 A N 0.198 123.042 122.820 0.040 0.000 1.841 35 A HA -0.093 4.229 4.320 0.003 0.000 0.214 35 A C 2.253 179.851 177.584 0.023 0.000 1.195 35 A CA 2.130 54.191 52.037 0.040 0.000 0.611 35 A CB -1.169 17.866 19.000 0.059 0.000 0.835 35 A HN 0.203 8.353 8.150 -0.000 0.000 0.443 36 V N 0.751 120.677 119.914 0.021 0.000 2.252 36 V HA -0.203 3.919 4.120 0.003 0.000 0.249 36 V C -0.071 176.018 176.094 -0.008 0.000 1.056 36 V CA 2.690 64.992 62.300 0.004 0.000 1.022 36 V CB -1.724 30.102 31.823 0.005 0.000 0.641 36 V HN 0.381 8.571 8.190 -0.000 0.000 0.445 37 P HA -0.178 4.242 4.420 -0.000 0.000 0.216 37 P C 1.722 179.014 177.300 -0.014 0.000 1.153 37 P CA 2.143 65.237 63.100 -0.009 0.000 0.858 37 P CB -0.175 31.523 31.700 -0.003 0.000 0.789 38 A N -0.655 122.161 122.820 -0.007 0.000 1.877 38 A HA -0.190 4.131 4.320 0.003 0.000 0.216 38 A C 2.222 179.793 177.584 -0.022 0.000 1.186 38 A CA 1.581 53.611 52.037 -0.012 0.000 0.620 38 A CB -1.653 17.346 19.000 -0.001 0.000 0.822 38 A HN 0.099 8.249 8.150 -0.000 0.000 0.443 39 I N -0.550 120.009 120.570 -0.019 0.000 2.163 39 I HA -0.263 3.908 4.170 0.003 0.000 0.243 39 I C 2.319 178.414 176.117 -0.036 0.000 1.085 39 I CA 1.302 62.586 61.300 -0.027 0.000 1.347 39 I CB -0.305 37.681 38.000 -0.024 0.000 1.044 39 I HN 0.157 8.367 8.210 -0.000 0.000 0.408 40 K N 0.801 121.179 120.400 -0.037 0.000 2.103 40 K HA -0.209 4.113 4.320 0.003 0.000 0.207 40 K C 2.023 178.600 176.600 -0.038 0.000 1.048 40 K CA 1.452 57.714 56.287 -0.042 0.000 0.930 40 K CB -0.464 32.013 32.500 -0.039 0.000 0.716 40 K HN 0.521 8.771 8.250 -0.000 0.000 0.444 41 Q N 0.324 120.102 119.800 -0.036 0.000 2.124 41 Q HA -0.052 4.290 4.340 0.003 0.000 0.202 41 Q C 1.399 177.376 176.000 -0.039 0.000 0.977 41 Q CA 0.797 56.577 55.803 -0.038 0.000 0.850 41 Q CB -0.101 28.612 28.738 -0.041 0.000 0.901 41 Q HN 0.350 8.620 8.270 -0.000 0.000 0.429 42 N N -0.268 118.408 118.700 -0.039 0.000 2.575 42 N HA -0.038 4.703 4.740 0.003 0.000 0.192 42 N C 0.667 176.155 175.510 -0.036 0.000 1.200 42 N CA 0.934 53.961 53.050 -0.039 0.000 0.897 42 N CB 0.596 39.059 38.487 -0.040 0.000 0.990 42 N HN 0.408 8.788 8.380 -0.000 0.000 0.449 43 G N 0.467 109.245 108.800 -0.037 0.000 2.143 43 G HA2 -0.250 3.711 3.960 0.003 0.000 0.248 43 G HA3 -0.250 3.711 3.960 0.003 0.000 0.248 43 G C -0.278 174.598 174.900 -0.040 0.000 0.991 43 G CA -0.042 45.036 45.100 -0.036 0.000 0.689 43 G HN 0.150 8.440 8.290 -0.000 0.000 0.522 44 L N 0.314 121.510 121.223 -0.045 0.000 2.334 44 L HA 0.638 4.980 4.340 0.003 0.000 0.270 44 L C 0.212 177.035 176.870 -0.078 0.000 1.018 44 L CA -1.221 53.587 54.840 -0.054 0.000 0.811 44 L CB 1.338 43.370 42.059 -0.045 0.000 1.271 44 L HN 0.098 8.328 8.230 -0.000 0.000 0.443 45 N N 0.232 118.867 118.700 -0.108 0.000 2.456 45 N HA 0.649 5.391 4.740 0.003 0.000 0.296 45 N C -1.260 174.111 175.510 -0.231 0.000 1.102 45 N CA -0.288 52.654 53.050 -0.180 0.000 0.924 45 N CB 2.568 40.926 38.487 -0.215 0.000 1.186 45 N HN 0.350 8.730 8.380 -0.000 0.000 0.492 46 V N 2.067 121.802 119.914 -0.298 0.000 3.012 46 V HA 0.569 4.690 4.120 0.003 0.000 0.307 46 V C -1.689 174.198 176.094 -0.344 0.000 1.166 46 V CA -0.718 61.428 62.300 -0.257 0.000 0.974 46 V CB 1.647 33.416 31.823 -0.089 0.000 1.040 46 V HN 0.531 8.721 8.190 -0.000 0.000 0.428 47 F N 4.602 124.564 119.950 0.020 0.000 2.427 47 F HA 0.799 5.328 4.527 0.004 0.000 0.346 47 F C 0.599 176.404 175.800 0.007 0.000 1.120 47 F CA -0.366 57.638 58.000 0.006 0.000 1.033 47 F CB 2.036 41.044 39.000 0.012 0.000 1.126 47 F HN 0.692 8.992 8.300 -0.000 0.000 0.462 48 A N 3.872 126.799 122.820 0.177 0.000 2.256 48 A HA 0.649 4.970 4.320 0.003 0.000 0.317 48 A C -0.964 176.661 177.584 0.069 0.000 1.318 48 A CA -0.558 51.544 52.037 0.107 0.000 0.894 48 A CB 0.545 19.590 19.000 0.076 0.000 1.165 48 A HN 0.539 8.689 8.150 -0.000 0.000 0.525 49 V N 6.604 126.566 119.914 0.080 0.000 2.304 49 V HA 0.277 4.398 4.120 0.003 0.000 0.269 49 V C -1.910 174.320 176.094 0.227 0.000 1.036 49 V CA -1.466 60.884 62.300 0.082 0.000 0.840 49 V CB 1.002 32.812 31.823 -0.022 0.000 1.036 49 V HN 0.831 9.021 8.190 -0.000 0.000 0.466 50 P HA 0.086 4.506 4.420 -0.000 0.000 0.269 50 P C 0.681 178.181 177.300 0.333 0.000 1.209 50 P CA 0.181 63.435 63.100 0.256 0.000 0.776 50 P CB 1.239 33.066 31.700 0.212 0.000 0.876 51 T N -0.812 113.864 114.554 0.203 0.000 3.042 51 T HA 0.220 4.571 4.350 0.003 0.000 0.245 51 T C 0.816 175.551 174.700 0.059 0.000 1.029 51 T CA 0.455 62.564 62.100 0.015 0.000 1.120 51 T CB -0.322 68.531 68.868 -0.024 0.000 0.917 51 T HN 0.452 8.692 8.240 -0.000 0.000 0.467 52 V N -0.959 119.049 119.914 0.156 0.000 3.048 52 V HA 0.811 4.932 4.120 0.003 0.000 0.303 52 V C -1.755 174.441 176.094 0.170 0.000 1.214 52 V CA -1.534 60.862 62.300 0.161 0.000 0.984 52 V CB 2.041 33.982 31.823 0.196 0.000 1.054 52 V HN 0.214 8.404 8.190 -0.000 0.000 0.430 53 L N 4.596 125.919 121.223 0.167 0.000 2.324 53 L HA 0.741 5.082 4.340 0.003 0.000 0.274 53 L C -0.836 176.129 176.870 0.158 0.000 1.012 53 L CA -0.135 54.801 54.840 0.160 0.000 0.859 53 L CB 0.621 42.785 42.059 0.175 0.000 1.224 53 L HN 0.776 9.006 8.230 -0.000 0.000 0.429 54 L N 2.536 123.852 121.223 0.155 0.000 2.332 54 L HA 0.556 4.898 4.340 0.003 0.000 0.269 54 L C 1.448 178.428 176.870 0.183 0.000 1.016 54 L CA -0.359 54.593 54.840 0.188 0.000 0.809 54 L CB 1.850 44.030 42.059 0.200 0.000 1.280 54 L HN 0.659 8.889 8.230 -0.000 0.000 0.447 55 S N -0.258 115.578 115.700 0.226 0.000 2.423 55 S HA -0.020 4.452 4.470 0.003 0.000 0.231 55 S C 0.435 175.156 174.600 0.202 0.000 1.014 55 S CA 0.587 58.917 58.200 0.217 0.000 0.965 55 S CB -0.493 62.887 63.200 0.300 0.000 0.785 55 S HN 0.892 9.202 8.310 -0.000 0.000 0.495 56 N N -0.232 118.588 118.700 0.200 0.000 3.465 56 N HA 0.055 4.797 4.740 0.003 0.000 0.244 56 N C -1.337 174.267 175.510 0.156 0.000 1.454 56 N CA -0.257 52.900 53.050 0.179 0.000 0.865 56 N CB 0.463 39.018 38.487 0.113 0.000 1.439 56 N HN 0.208 8.588 8.380 -0.000 0.000 0.480 57 T N -2.138 112.525 114.554 0.181 0.000 2.932 57 T HA 0.216 4.568 4.350 0.003 0.000 0.312 57 T C -1.906 172.685 174.700 -0.182 0.000 1.071 57 T CA -0.586 61.514 62.100 0.000 0.000 1.128 57 T CB 0.570 69.502 68.868 0.107 0.000 0.984 57 T HN 0.284 8.524 8.240 -0.000 0.000 0.549 58 P HA -0.026 4.394 4.420 -0.000 0.000 0.236 58 P C 0.977 177.883 177.300 -0.658 0.000 1.172 58 P CA 0.573 62.919 63.100 -1.256 0.000 0.759 58 P CB -0.098 30.715 31.700 -1.478 0.000 0.843 59 H N -2.780 116.166 119.070 -0.207 0.000 2.529 59 H HA 0.067 4.624 4.556 0.003 0.000 0.277 59 H C 0.606 175.847 175.328 -0.145 0.000 0.999 59 H CA 0.433 56.377 56.048 -0.173 0.000 1.256 59 H CB -0.395 29.243 29.762 -0.207 0.000 1.402 59 H HN 0.232 8.512 8.280 -0.000 0.000 0.566 60 Y N 1.196 121.522 120.300 0.044 0.000 2.289 60 Y HA -0.002 4.550 4.550 0.002 0.000 0.332 60 Y C 1.840 177.779 175.900 0.065 0.000 1.324 60 Y CA -0.555 57.586 58.100 0.068 0.000 1.478 60 Y CB 0.720 39.233 38.460 0.088 0.000 1.378 60 Y HN -0.052 8.228 8.280 -0.000 0.000 0.558 61 D N -0.273 120.272 120.400 0.241 0.000 2.182 61 D HA -0.095 4.547 4.640 0.003 0.000 0.201 61 D C 0.416 176.805 176.300 0.148 0.000 0.986 61 D CA 1.689 55.779 54.000 0.150 0.000 0.847 61 D CB -0.150 40.719 40.800 0.114 0.000 0.942 61 D HN 0.588 8.958 8.370 -0.000 0.000 0.467 62 T N -1.737 112.917 114.554 0.166 0.000 2.900 62 T HA 0.584 4.935 4.350 0.003 0.000 0.303 62 T C -0.693 174.046 174.700 0.064 0.000 1.142 62 T CA -1.082 61.038 62.100 0.033 0.000 1.007 62 T CB 2.220 71.060 68.868 -0.046 0.000 1.156 62 T HN 0.042 8.282 8.240 -0.000 0.000 0.490 63 F N -0.763 118.872 119.950 -0.524 0.000 2.703 63 F HA 0.814 5.342 4.527 0.002 0.000 0.308 63 F C -2.498 172.862 175.800 -0.733 0.000 1.126 63 F CA -1.879 55.873 58.000 -0.413 0.000 0.959 63 F CB 0.783 39.691 39.000 -0.154 0.000 1.297 63 F HN 0.704 9.005 8.300 -0.000 0.000 0.441 64 Y N 0.781 121.039 120.300 -0.071 0.000 2.609 64 Y HA 0.889 5.441 4.550 0.002 0.000 0.342 64 Y C 0.534 176.435 175.900 0.002 0.000 1.058 64 Y CA -0.990 57.021 58.100 -0.149 0.000 1.055 64 Y CB 2.103 40.508 38.460 -0.093 0.000 1.292 64 Y HN 1.297 9.577 8.280 -0.000 0.000 0.476 65 G N -0.656 108.231 108.800 0.144 0.000 2.434 65 G HA2 0.444 4.405 3.960 0.003 0.000 0.671 65 G HA3 0.444 4.405 3.960 0.003 0.000 0.671 65 G C -0.614 174.348 174.900 0.102 0.000 1.280 65 G CA -0.263 44.917 45.100 0.133 0.000 0.975 65 G HN 1.408 9.698 8.290 -0.000 0.000 0.510 66 G N -1.479 107.381 108.800 0.101 0.000 2.731 66 G HA2 0.948 4.910 3.960 0.003 0.000 0.309 66 G HA3 0.948 4.910 3.960 0.003 0.000 0.309 66 G C -0.206 174.739 174.900 0.075 0.000 1.273 66 G CA 0.781 45.928 45.100 0.079 0.000 0.798 66 G HN 2.249 10.540 8.290 -0.000 0.000 0.509 67 A N -0.192 122.645 122.820 0.028 0.000 2.327 67 A HA 0.624 4.946 4.320 0.003 0.000 0.283 67 A C 0.277 177.832 177.584 -0.049 0.000 1.127 67 A CA -0.467 51.568 52.037 -0.004 0.000 0.810 67 A CB 0.187 19.157 19.000 -0.050 0.000 1.066 67 A HN 0.507 8.657 8.150 -0.000 0.000 0.492 68 I N 2.604 123.163 120.570 -0.017 0.000 2.598 68 I HA 0.113 4.285 4.170 0.003 0.000 0.284 68 I C -2.030 174.002 176.117 -0.141 0.000 1.140 68 I CA -1.735 59.573 61.300 0.014 0.000 1.420 68 I CB 0.061 38.200 38.000 0.232 0.000 1.387 68 I HN 0.360 8.570 8.210 -0.000 0.000 0.553 69 P HA 0.028 4.448 4.420 -0.000 0.000 0.265 69 P C 0.566 177.752 177.300 -0.190 0.000 1.193 69 P CA -0.042 62.817 63.100 -0.401 0.000 0.765 69 P CB 0.657 31.846 31.700 -0.853 0.000 0.823 70 D N 2.238 122.561 120.400 -0.129 0.000 2.133 70 D HA -0.224 4.417 4.640 0.003 0.000 0.195 70 D C 1.530 177.832 176.300 0.003 0.000 0.997 70 D CA 1.469 55.453 54.000 -0.027 0.000 0.840 70 D CB -0.116 40.656 40.800 -0.047 0.000 0.947 70 D HN 0.615 8.985 8.370 -0.000 0.000 0.452 71 E N -0.504 119.680 120.200 -0.026 0.000 2.118 71 E HA -0.180 4.171 4.350 0.003 0.000 0.195 71 E C 1.934 178.589 176.600 0.092 0.000 0.992 71 E CA 0.900 57.320 56.400 0.034 0.000 0.804 71 E CB 0.051 29.790 29.700 0.065 0.000 0.741 71 E HN 0.268 8.628 8.360 -0.000 0.000 0.458 72 W N -0.042 121.104 121.300 -0.257 0.000 2.413 72 W HA -0.095 4.565 4.660 0.001 0.000 0.315 72 W C 2.131 178.086 176.519 -0.940 0.000 1.186 72 W CA 0.387 57.387 57.345 -0.575 0.000 1.326 72 W CB -1.506 27.673 29.460 -0.468 0.000 1.153 72 W HN 0.130 8.310 8.180 -0.000 0.000 0.489 73 F N 1.116 120.806 119.950 -0.434 0.000 2.091 73 F HA -0.317 4.210 4.527 0.001 0.000 0.299 73 F C 2.724 178.353 175.800 -0.285 0.000 1.103 73 F CA 2.273 60.072 58.000 -0.334 0.000 1.228 73 F CB -1.080 37.832 39.000 -0.148 0.000 0.984 73 F HN -0.161 8.139 8.300 -0.000 0.000 0.477 74 S N -0.196 115.401 115.700 -0.172 0.000 2.356 74 S HA -0.128 4.344 4.470 0.003 0.000 0.223 74 S C 2.406 176.849 174.600 -0.262 0.000 1.032 74 S CA 1.528 59.594 58.200 -0.222 0.000 1.005 74 S CB -1.234 61.917 63.200 -0.081 0.000 0.867 74 S HN 0.565 8.875 8.310 -0.000 0.000 0.449 75 G N -0.245 108.425 108.800 -0.217 0.000 2.446 75 G HA2 -0.184 3.777 3.960 0.003 0.000 0.217 75 G HA3 -0.184 3.777 3.960 0.003 0.000 0.217 75 G C 1.251 176.087 174.900 -0.107 0.000 1.168 75 G CA 0.989 46.000 45.100 -0.148 0.000 0.771 75 G HN 0.689 8.979 8.290 -0.000 0.000 0.551 76 Y N 0.438 120.606 120.300 -0.221 0.000 2.151 76 Y HA -0.166 4.387 4.550 0.005 0.000 0.284 76 Y C 2.828 178.470 175.900 -0.431 0.000 1.166 76 Y CA 0.485 58.415 58.100 -0.283 0.000 1.163 76 Y CB -0.276 38.032 38.460 -0.253 0.000 0.974 76 Y HN 0.105 8.385 8.280 -0.000 0.000 0.511 77 L N -0.351 120.562 121.223 -0.517 0.000 2.023 77 L HA -0.187 4.154 4.340 0.003 0.000 0.205 77 L C 2.670 179.262 176.870 -0.464 0.000 1.073 77 L CA 1.150 55.396 54.840 -0.989 0.000 0.745 77 L CB -0.579 40.452 42.059 -1.714 0.000 0.900 77 L HN 0.131 8.361 8.230 -0.000 0.000 0.435 78 R N 0.606 120.956 120.500 -0.250 0.000 2.094 78 R HA -0.234 4.108 4.340 0.003 0.000 0.239 78 R C 2.364 178.675 176.300 0.018 0.000 1.137 78 R CA 1.813 57.915 56.100 0.004 0.000 0.943 78 R CB -0.415 29.875 30.300 -0.017 0.000 0.850 78 R HN 0.337 8.607 8.270 -0.000 0.000 0.433 79 A N 1.271 124.066 122.820 -0.043 0.000 1.927 79 A HA -0.211 4.110 4.320 0.003 0.000 0.220 79 A C 2.266 179.816 177.584 -0.057 0.000 1.185 79 A CA 1.770 53.781 52.037 -0.044 0.000 0.639 79 A CB -0.759 18.208 19.000 -0.056 0.000 0.820 79 A HN 0.426 8.576 8.150 -0.000 0.000 0.451 80 L N -1.193 119.983 121.223 -0.078 0.000 2.079 80 L HA -0.296 4.045 4.340 0.003 0.000 0.210 80 L C 2.903 179.777 176.870 0.006 0.000 1.081 80 L CA 1.872 56.649 54.840 -0.106 0.000 0.752 80 L CB -0.588 41.422 42.059 -0.081 0.000 0.896 80 L HN 0.547 8.777 8.230 -0.000 0.000 0.433 81 Q N -0.431 119.439 119.800 0.118 0.000 2.123 81 Q HA -0.170 4.172 4.340 0.003 0.000 0.199 81 Q C 2.073 178.104 176.000 0.053 0.000 0.966 81 Q CA 1.197 57.066 55.803 0.110 0.000 0.845 81 Q CB 0.010 28.842 28.738 0.156 0.000 0.907 81 Q HN 0.555 8.825 8.270 -0.000 0.000 0.439 82 E N 0.441 120.663 120.200 0.036 0.000 2.106 82 E HA -0.102 4.250 4.350 0.003 0.000 0.192 82 E C 1.821 178.421 176.600 0.000 0.000 0.984 82 E CA 0.481 56.890 56.400 0.016 0.000 0.806 82 E CB 0.066 29.770 29.700 0.008 0.000 0.750 82 E HN 0.144 8.504 8.360 -0.000 0.000 0.458 83 R N 1.224 121.711 120.500 -0.022 0.000 2.339 83 R HA -0.059 4.283 4.340 0.003 0.000 0.199 83 R C -0.071 176.222 176.300 -0.012 0.000 1.018 83 R CA 0.566 56.647 56.100 -0.032 0.000 1.036 83 R CB -0.680 29.574 30.300 -0.076 0.000 0.899 83 R HN 0.181 8.451 8.270 -0.000 0.000 0.473 84 D N -0.227 120.176 120.400 0.004 0.000 2.737 84 D HA -0.197 4.444 4.640 0.003 0.000 0.238 84 D C -0.531 175.792 176.300 0.039 0.000 1.157 84 D CA 0.870 54.888 54.000 0.029 0.000 0.694 84 D CB -0.788 40.030 40.800 0.031 0.000 1.021 84 D HN 0.341 8.711 8.370 -0.000 0.000 0.420 85 A N 1.425 124.260 122.820 0.025 0.000 2.749 85 A HA 0.504 4.825 4.320 0.003 0.000 0.299 85 A C 1.021 178.697 177.584 0.152 0.000 1.105 85 A CA -0.490 51.592 52.037 0.076 0.000 0.987 85 A CB 0.314 19.294 19.000 -0.034 0.000 1.180 85 A HN 0.361 8.511 8.150 -0.000 0.000 0.528 86 L N -1.517 119.778 121.223 0.120 0.000 3.016 86 L HA 0.218 4.560 4.340 0.003 0.000 0.267 86 L C 1.931 178.874 176.870 0.122 0.000 1.182 86 L CA -0.197 54.702 54.840 0.099 0.000 0.997 86 L CB 0.150 42.226 42.059 0.028 0.000 1.354 86 L HN 0.264 8.494 8.230 -0.000 0.000 0.569 87 R N 0.518 121.108 120.500 0.150 0.000 2.096 87 R HA -0.136 4.206 4.340 0.003 0.000 0.240 87 R C 1.925 178.306 176.300 0.135 0.000 1.139 87 R CA 1.410 57.604 56.100 0.158 0.000 0.952 87 R CB -0.131 30.230 30.300 0.102 0.000 0.854 87 R HN 0.263 8.533 8.270 -0.000 0.000 0.436 88 Q N 0.211 120.068 119.800 0.095 0.000 2.444 88 Q HA 0.043 4.385 4.340 0.003 0.000 0.206 88 Q C -0.162 175.860 176.000 0.037 0.000 0.948 88 Q CA -0.068 55.772 55.803 0.062 0.000 0.946 88 Q CB 0.033 28.798 28.738 0.045 0.000 1.027 88 Q HN 0.148 8.418 8.270 -0.000 0.000 0.513 89 L N 1.822 123.049 121.223 0.006 0.000 2.615 89 L HA -0.068 4.274 4.340 0.003 0.000 0.271 89 L C 0.850 177.679 176.870 -0.068 0.000 1.183 89 L CA 0.989 55.786 54.840 -0.072 0.000 0.933 89 L CB 0.237 42.142 42.059 -0.256 0.000 1.199 89 L HN -0.030 8.200 8.230 -0.000 0.000 0.487 90 R N 3.668 124.156 120.500 -0.021 0.000 2.487 90 R HA 0.585 4.927 4.340 0.003 0.000 0.272 90 R C -0.378 175.929 176.300 0.012 0.000 0.928 90 R CA 0.313 56.417 56.100 0.006 0.000 1.077 90 R CB 0.641 30.954 30.300 0.021 0.000 1.265 90 R HN 0.705 8.975 8.270 -0.000 0.000 0.537 91 A N 0.209 123.034 122.820 0.008 0.000 2.599 91 A HA 0.537 4.859 4.320 0.003 0.000 0.294 91 A C -1.595 176.023 177.584 0.056 0.000 1.055 91 A CA -0.510 51.548 52.037 0.035 0.000 0.683 91 A CB 1.743 20.776 19.000 0.055 0.000 1.278 91 A HN -0.066 8.084 8.150 -0.000 0.000 0.412 92 V N 2.126 122.087 119.914 0.078 0.000 2.488 92 V HA 0.575 4.696 4.120 0.003 0.000 0.293 92 V C 0.131 176.307 176.094 0.136 0.000 1.027 92 V CA 0.076 62.456 62.300 0.132 0.000 0.862 92 V CB 1.702 33.625 31.823 0.166 0.000 1.008 92 V HN 1.247 9.437 8.190 -0.000 0.000 0.428 93 T N 0.816 115.454 114.554 0.139 0.000 2.799 93 T HA 0.641 4.993 4.350 0.003 0.000 0.286 93 T C 0.058 174.853 174.700 0.159 0.000 0.973 93 T CA -0.449 61.733 62.100 0.136 0.000 1.035 93 T CB 1.436 70.376 68.868 0.121 0.000 0.932 93 T HN 0.769 9.009 8.240 -0.000 0.000 0.469 94 T N 0.672 115.324 114.554 0.163 0.000 2.779 94 T HA 0.742 5.094 4.350 0.003 0.000 0.280 94 T C 0.562 175.375 174.700 0.189 0.000 0.987 94 T CA -0.465 61.745 62.100 0.184 0.000 0.966 94 T CB 1.411 70.396 68.868 0.196 0.000 0.933 94 T HN 0.913 9.153 8.240 -0.000 0.000 0.442 95 G N 1.445 110.362 108.800 0.195 0.000 3.247 95 G HA2 0.419 4.380 3.960 0.003 0.000 0.163 95 G HA3 0.419 4.380 3.960 0.003 0.000 0.163 95 G C -0.963 174.079 174.900 0.236 0.000 1.206 95 G CA -1.079 44.148 45.100 0.212 0.000 0.918 95 G HN 0.805 9.095 8.290 -0.000 0.000 0.625 96 Y N 1.826 122.201 120.300 0.126 0.000 2.802 96 Y HA 0.292 4.844 4.550 0.003 0.000 0.333 96 Y C 0.254 176.206 175.900 0.085 0.000 1.244 96 Y CA 0.100 58.267 58.100 0.111 0.000 1.558 96 Y CB 0.224 38.732 38.460 0.080 0.000 1.233 96 Y HN 0.023 8.303 8.280 -0.000 0.000 0.547 97 M N 5.412 124.749 119.600 -0.438 0.000 2.472 97 M HA 0.290 4.772 4.480 0.003 0.000 0.331 97 M C 1.146 177.022 176.300 -0.705 0.000 1.170 97 M CA -0.250 54.802 55.300 -0.414 0.000 1.009 97 M CB 1.357 33.778 32.600 -0.297 0.000 1.672 97 M HN 0.840 9.130 8.290 -0.000 0.000 0.453 98 G N 1.281 109.818 108.800 -0.437 0.000 2.492 98 G HA2 0.072 4.034 3.960 0.003 0.000 0.214 98 G HA3 0.072 4.034 3.960 0.003 0.000 0.214 98 G C 0.415 175.176 174.900 -0.232 0.000 1.147 98 G CA 0.703 45.628 45.100 -0.292 0.000 0.809 98 G HN 0.719 9.009 8.290 -0.000 0.000 0.533 99 T N -4.535 109.864 114.554 -0.259 0.000 2.868 99 T HA 0.627 4.979 4.350 0.003 0.000 0.306 99 T C 0.997 175.576 174.700 -0.201 0.000 1.224 99 T CA 0.282 62.267 62.100 -0.191 0.000 1.012 99 T CB 1.679 70.447 68.868 -0.166 0.000 1.221 99 T HN 0.269 8.509 8.240 -0.000 0.000 0.499 100 A N 1.314 124.052 122.820 -0.138 0.000 2.015 100 A HA 0.049 4.370 4.320 0.003 0.000 0.219 100 A C 2.415 179.916 177.584 -0.140 0.000 1.163 100 A CA 1.968 53.932 52.037 -0.121 0.000 0.646 100 A CB -1.322 17.655 19.000 -0.039 0.000 0.806 100 A HN 1.335 9.485 8.150 -0.000 0.000 0.448 101 S N -0.509 115.109 115.700 -0.137 0.000 2.402 101 S HA -0.231 4.241 4.470 0.003 0.000 0.229 101 S C 1.905 176.409 174.600 -0.161 0.000 1.021 101 S CA 1.355 59.469 58.200 -0.142 0.000 0.974 101 S CB -0.420 62.713 63.200 -0.111 0.000 0.800 101 S HN 0.686 8.996 8.310 -0.000 0.000 0.484 102 Q N 0.675 120.345 119.800 -0.216 0.000 2.083 102 Q HA 0.123 4.465 4.340 0.003 0.000 0.198 102 Q C 2.203 178.135 176.000 -0.112 0.000 0.969 102 Q CA 1.417 57.057 55.803 -0.271 0.000 0.838 102 Q CB -0.355 27.994 28.738 -0.648 0.000 0.900 102 Q HN 0.620 8.890 8.270 -0.000 0.000 0.436 103 I N 0.857 121.308 120.570 -0.199 0.000 2.226 103 I HA -0.311 3.861 4.170 0.003 0.000 0.245 103 I C 2.497 178.508 176.117 -0.176 0.000 1.100 103 I CA 1.174 62.368 61.300 -0.177 0.000 1.374 103 I CB -0.339 37.481 38.000 -0.300 0.000 1.057 103 I HN 0.171 8.381 8.210 -0.000 0.000 0.413 104 K N 1.827 121.999 120.400 -0.381 0.000 2.032 104 K HA -0.193 4.128 4.320 0.003 0.000 0.209 104 K C 2.131 178.526 176.600 -0.341 0.000 1.048 104 K CA 1.659 57.466 56.287 -0.801 0.000 0.927 104 K CB -0.130 31.791 32.500 -0.965 0.000 0.712 104 K HN 0.267 8.517 8.250 -0.000 0.000 0.441 105 I N 1.102 121.591 120.570 -0.135 0.000 2.179 105 I HA -0.274 3.897 4.170 0.003 0.000 0.242 105 I C 2.464 178.624 176.117 0.072 0.000 1.088 105 I CA 0.681 61.979 61.300 -0.004 0.000 1.357 105 I CB -0.365 37.691 38.000 0.094 0.000 1.051 105 I HN 0.235 8.445 8.210 -0.000 0.000 0.409 106 L N 1.450 122.764 121.223 0.152 0.000 2.046 106 L HA -0.145 4.197 4.340 0.003 0.000 0.208 106 L C 2.570 179.573 176.870 0.220 0.000 1.077 106 L CA 2.104 57.066 54.840 0.203 0.000 0.747 106 L CB -0.756 41.462 42.059 0.265 0.000 0.896 106 L HN 0.183 8.413 8.230 -0.000 0.000 0.432 107 A N -0.921 121.971 122.820 0.120 0.000 1.933 107 A HA -0.215 4.107 4.320 0.003 0.000 0.218 107 A C 2.182 179.839 177.584 0.122 0.000 1.175 107 A CA 1.770 53.884 52.037 0.129 0.000 0.628 107 A CB -0.592 18.500 19.000 0.154 0.000 0.814 107 A HN 0.613 8.763 8.150 -0.000 0.000 0.444 108 E N -1.787 118.466 120.200 0.088 0.000 2.072 108 E HA -0.226 4.125 4.350 0.003 0.000 0.191 108 E C 1.764 178.452 176.600 0.146 0.000 0.985 108 E CA 1.255 57.708 56.400 0.089 0.000 0.801 108 E CB -0.239 29.488 29.700 0.045 0.000 0.750 108 E HN 0.865 9.225 8.360 -0.000 0.000 0.452 109 W N 1.438 122.721 121.300 -0.028 0.000 2.381 109 W HA -0.116 4.544 4.660 0.001 0.000 0.301 109 W C 1.688 178.202 176.519 -0.007 0.000 1.205 109 W CA 1.160 58.486 57.345 -0.032 0.000 1.285 109 W CB -0.209 29.210 29.460 -0.068 0.000 1.133 109 W HN -0.044 8.136 8.180 -0.000 0.000 0.521 110 L N 0.252 121.541 121.223 0.111 0.000 2.056 110 L HA -0.207 4.134 4.340 0.003 0.000 0.207 110 L C 2.779 179.593 176.870 -0.093 0.000 1.078 110 L CA 1.939 56.730 54.840 -0.081 0.000 0.749 110 L CB -1.544 40.557 42.059 0.070 0.000 0.901 110 L HN 0.122 8.352 8.230 -0.000 0.000 0.433 111 T N -2.073 112.473 114.554 -0.013 0.000 2.684 111 T HA -0.209 4.142 4.350 0.003 0.000 0.267 111 T C 1.954 176.625 174.700 -0.049 0.000 1.036 111 T CA 1.139 63.232 62.100 -0.012 0.000 1.148 111 T CB -0.530 68.354 68.868 0.026 0.000 0.863 111 T HN 0.310 8.550 8.240 -0.000 0.000 0.436 112 A N 1.161 123.943 122.820 -0.063 0.000 1.933 112 A HA 0.157 4.479 4.320 0.003 0.000 0.218 112 A C 2.336 179.842 177.584 -0.130 0.000 1.175 112 A CA 1.393 53.383 52.037 -0.078 0.000 0.628 112 A CB -0.879 18.087 19.000 -0.057 0.000 0.814 112 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 113 L N -0.136 120.942 121.223 -0.241 0.000 2.093 113 L HA -0.072 4.269 4.340 0.003 0.000 0.208 113 L C 2.467 179.296 176.870 -0.068 0.000 1.085 113 L CA 1.661 56.349 54.840 -0.252 0.000 0.755 113 L CB -0.503 41.189 42.059 -0.612 0.000 0.904 113 L HN 0.336 8.566 8.230 -0.000 0.000 0.435 114 R N -0.440 120.011 120.500 -0.081 0.000 2.120 114 R HA -0.175 4.167 4.340 0.003 0.000 0.234 114 R C 2.108 178.386 176.300 -0.037 0.000 1.123 114 R CA 1.438 57.522 56.100 -0.027 0.000 0.975 114 R CB -0.359 29.922 30.300 -0.030 0.000 0.866 114 R HN 0.389 8.659 8.270 -0.000 0.000 0.446 115 K N 0.386 120.753 120.400 -0.055 0.000 2.173 115 K HA -0.171 4.150 4.320 0.003 0.000 0.207 115 K C 1.088 177.625 176.600 -0.105 0.000 1.046 115 K CA 1.556 57.804 56.287 -0.065 0.000 0.929 115 K CB -0.004 32.462 32.500 -0.058 0.000 0.720 115 K HN 0.282 8.532 8.250 -0.000 0.000 0.453 116 D N -1.026 119.279 120.400 -0.159 0.000 2.392 116 D HA 0.006 4.647 4.640 0.003 0.000 0.206 116 D C 0.184 176.173 176.300 -0.519 0.000 1.046 116 D CA 0.497 54.304 54.000 -0.322 0.000 0.865 116 D CB 0.398 40.965 40.800 -0.389 0.000 0.969 116 D HN 0.255 8.625 8.370 -0.000 0.000 0.509 117 H N 1.313 120.336 119.070 -0.078 0.000 2.645 117 H HA 0.172 4.729 4.556 0.002 0.000 0.257 117 H C -1.605 173.690 175.328 -0.055 0.000 1.269 117 H CA -1.298 54.710 56.048 -0.067 0.000 1.409 117 H CB 2.074 31.785 29.762 -0.084 0.000 1.434 117 H HN 0.004 8.284 8.280 -0.000 0.000 0.505 118 P HA -0.111 4.309 4.420 -0.000 0.000 0.220 118 P C 1.003 178.319 177.300 0.026 0.000 1.152 118 P CA 0.936 64.040 63.100 0.007 0.000 0.812 118 P CB 0.466 32.157 31.700 -0.016 0.000 0.792 119 D N -0.251 120.173 120.400 0.040 0.000 2.363 119 D HA -0.056 4.585 4.640 0.003 0.000 0.226 119 D C 0.712 177.041 176.300 0.049 0.000 1.020 119 D CA -0.225 53.801 54.000 0.043 0.000 0.892 119 D CB -0.654 40.172 40.800 0.042 0.000 0.900 119 D HN 0.082 8.452 8.370 -0.000 0.000 0.531 120 L N 1.739 122.994 121.223 0.054 0.000 2.597 120 L HA 0.094 4.436 4.340 0.003 0.000 0.271 120 L C -0.232 176.654 176.870 0.027 0.000 1.157 120 L CA 0.006 54.864 54.840 0.030 0.000 0.928 120 L CB 0.105 42.174 42.059 0.017 0.000 1.216 120 L HN 0.102 8.332 8.230 -0.000 0.000 0.481 121 L N 7.149 128.395 121.223 0.039 0.000 2.302 121 L HA 0.384 4.725 4.340 0.003 0.000 0.285 121 L C -0.227 176.669 176.870 0.044 0.000 1.090 121 L CA -0.177 54.696 54.840 0.056 0.000 0.866 121 L CB -0.007 42.112 42.059 0.100 0.000 1.244 121 L HN 0.583 8.813 8.230 -0.000 0.000 0.435 122 I N 5.836 126.415 120.570 0.015 0.000 2.278 122 I HA 0.139 4.310 4.170 0.003 0.000 0.296 122 I C 0.307 176.420 176.117 -0.007 0.000 1.121 122 I CA 0.247 61.560 61.300 0.020 0.000 1.267 122 I CB 0.728 38.738 38.000 0.016 0.000 1.447 122 I HN 0.662 8.872 8.210 -0.000 0.000 0.509 123 M N 7.097 126.715 119.600 0.030 0.000 2.180 123 M HA 0.424 4.906 4.480 0.003 0.000 0.358 123 M C -1.210 175.114 176.300 0.040 0.000 1.233 123 M CA -0.311 54.992 55.300 0.005 0.000 1.114 123 M CB 1.108 33.774 32.600 0.110 0.000 1.594 123 M HN 0.221 8.511 8.290 -0.000 0.000 0.467 124 V N 4.201 124.116 119.914 0.002 0.000 2.487 124 V HA 0.319 4.440 4.120 0.003 0.000 0.298 124 V C -0.909 175.226 176.094 0.069 0.000 1.028 124 V CA -0.779 61.563 62.300 0.070 0.000 0.860 124 V CB 1.846 33.718 31.823 0.083 0.000 0.991 124 V HN 0.734 8.924 8.190 -0.000 0.000 0.427 125 D N 6.201 126.670 120.400 0.114 0.000 2.373 125 D HA 0.415 5.057 4.640 0.003 0.000 0.227 125 D C -2.495 173.821 176.300 0.025 0.000 1.091 125 D CA -2.199 51.857 54.000 0.093 0.000 0.840 125 D CB 2.161 43.049 40.800 0.146 0.000 1.060 125 D HN 0.239 8.609 8.370 -0.000 0.000 0.502 126 P HA 0.059 4.479 4.420 -0.000 0.000 0.235 126 P C -0.474 176.658 177.300 -0.280 0.000 1.765 126 P CA -0.257 62.572 63.100 -0.453 0.000 1.034 126 P CB 0.145 31.578 31.700 -0.444 0.000 1.984 127 V N 3.486 123.355 119.914 -0.074 0.000 2.390 127 V HA 0.053 4.175 4.120 0.003 0.000 0.260 127 V C 1.342 177.477 176.094 0.068 0.000 1.043 127 V CA 0.803 63.149 62.300 0.077 0.000 1.047 127 V CB -0.522 31.452 31.823 0.252 0.000 1.066 127 V HN 0.407 8.597 8.190 -0.000 0.000 0.481 128 I N 3.164 123.757 120.570 0.039 0.000 4.102 128 I HA 0.369 4.541 4.170 0.003 0.000 0.325 128 I C 1.040 177.260 176.117 0.171 0.000 1.471 128 I CA 0.058 61.394 61.300 0.060 0.000 1.133 128 I CB 0.742 38.693 38.000 -0.082 0.000 1.184 128 I HN 0.613 8.823 8.210 -0.000 0.000 0.451 129 G N 1.028 109.962 108.800 0.224 0.000 2.557 129 G HA2 0.571 4.532 3.960 0.003 0.000 0.310 129 G HA3 0.571 4.532 3.960 0.003 0.000 0.310 129 G C -0.787 174.199 174.900 0.144 0.000 1.328 129 G CA 0.124 45.366 45.100 0.238 0.000 0.945 129 G HN 0.181 8.471 8.290 -0.000 0.000 0.494 137 V N 1.262 121.286 119.914 0.185 0.000 3.016 137 V HA -0.175 3.946 4.120 0.003 0.000 0.221 137 V C -0.514 175.683 176.094 0.172 0.000 2.028 137 V CA 0.084 62.477 62.300 0.156 0.000 1.780 137 V CB 0.011 31.864 31.823 0.050 0.000 0.944 137 V HN 0.759 8.949 8.190 -0.000 0.000 0.524 138 K N 4.535 125.012 120.400 0.129 0.000 2.205 138 K HA 0.532 4.853 4.320 0.003 0.000 0.279 138 K C -2.443 174.216 176.600 0.097 0.000 1.027 138 K CA -1.554 54.801 56.287 0.113 0.000 0.932 138 K CB 0.998 33.561 32.500 0.105 0.000 1.032 138 K HN 0.661 8.911 8.250 -0.000 0.000 0.466 139 P HA 0.056 4.476 4.420 -0.000 0.000 0.271 139 P C 0.229 177.561 177.300 0.053 0.000 1.216 139 P CA 1.007 64.149 63.100 0.070 0.000 0.771 139 P CB 0.582 32.317 31.700 0.059 0.000 0.864 140 D N 0.273 120.704 120.400 0.053 0.000 2.462 140 D HA -0.279 4.363 4.640 0.003 0.000 0.172 140 D C 1.206 177.538 176.300 0.054 0.000 1.218 140 D CA 1.498 55.524 54.000 0.045 0.000 1.131 140 D CB -1.954 38.862 40.800 0.028 0.000 1.155 140 D HN 0.417 8.787 8.370 -0.000 0.000 0.443 141 L N 0.383 121.647 121.223 0.068 0.000 2.042 141 L HA 0.094 4.436 4.340 0.003 0.000 0.210 141 L C -0.200 176.812 176.870 0.237 0.000 1.076 141 L CA 3.235 58.143 54.840 0.114 0.000 0.749 141 L CB -0.904 41.247 42.059 0.153 0.000 0.893 141 L HN 0.394 8.624 8.230 -0.000 0.000 0.432 142 P HA -0.186 4.234 4.420 -0.000 0.000 0.214 142 P C 1.360 178.740 177.300 0.133 0.000 1.163 142 P CA 1.616 64.802 63.100 0.143 0.000 0.883 142 P CB -0.187 31.536 31.700 0.038 0.000 0.788 143 E N 0.159 120.403 120.200 0.074 0.000 2.085 143 E HA -0.206 4.145 4.350 0.003 0.000 0.194 143 E C 2.057 178.670 176.600 0.022 0.000 0.994 143 E CA 1.761 58.179 56.400 0.030 0.000 0.801 143 E CB -1.525 28.182 29.700 0.012 0.000 0.743 143 E HN 0.161 8.521 8.360 -0.000 0.000 0.453 144 A N 1.093 123.953 122.820 0.065 0.000 1.883 144 A HA -0.207 4.115 4.320 0.003 0.000 0.217 144 A C 2.180 179.806 177.584 0.071 0.000 1.186 144 A CA 1.598 53.702 52.037 0.112 0.000 0.624 144 A CB -1.111 17.917 19.000 0.047 0.000 0.822 144 A HN 0.299 8.449 8.150 -0.000 0.000 0.444 145 Y N -0.178 120.151 120.300 0.049 0.000 2.114 145 Y HA -0.228 4.324 4.550 0.004 0.000 0.284 145 Y C 2.791 178.686 175.900 -0.007 0.000 1.143 145 Y CA 2.001 60.119 58.100 0.030 0.000 1.135 145 Y CB -0.217 38.242 38.460 -0.002 0.000 0.980 145 Y HN 0.223 8.503 8.280 -0.000 0.000 0.499 146 R N -0.097 120.479 120.500 0.127 0.000 2.091 146 R HA -0.251 4.090 4.340 0.003 0.000 0.238 146 R C 2.244 178.513 176.300 -0.052 0.000 1.136 146 R CA 1.929 58.043 56.100 0.023 0.000 0.959 146 R CB -0.463 29.833 30.300 -0.007 0.000 0.856 146 R HN 0.498 8.768 8.270 -0.000 0.000 0.437 147 Q N -0.195 119.514 119.800 -0.151 0.000 2.089 147 Q HA -0.097 4.245 4.340 0.003 0.000 0.195 147 Q C 1.408 177.196 176.000 -0.352 0.000 0.963 147 Q CA 1.094 56.699 55.803 -0.331 0.000 0.834 147 Q CB 0.091 28.474 28.738 -0.591 0.000 0.906 147 Q HN 0.395 8.665 8.270 -0.000 0.000 0.452 148 Y N -0.622 119.680 120.300 0.003 0.000 2.222 148 Y HA -0.051 4.500 4.550 0.002 0.000 0.290 148 Y C 2.022 177.930 175.900 0.014 0.000 1.123 148 Y CA 0.069 58.169 58.100 -0.001 0.000 1.120 148 Y CB 0.044 38.489 38.460 -0.025 0.000 1.060 148 Y HN 0.098 8.378 8.280 -0.000 0.000 0.508 149 L N -0.570 120.760 121.223 0.178 0.000 2.068 149 L HA -0.103 4.239 4.340 0.003 0.000 0.204 149 L C 2.230 179.167 176.870 0.113 0.000 1.076 149 L CA 1.127 56.055 54.840 0.147 0.000 0.753 149 L CB -1.102 41.063 42.059 0.177 0.000 0.910 149 L HN 0.203 8.433 8.230 -0.000 0.000 0.439 150 L N 0.383 121.674 121.223 0.113 0.000 1.991 150 L HA -0.221 4.121 4.340 0.003 0.000 0.221 150 L C -0.524 176.355 176.870 0.015 0.000 1.079 150 L CA 2.370 57.242 54.840 0.054 0.000 0.778 150 L CB -1.711 40.371 42.059 0.038 0.000 0.893 150 L HN 0.173 8.403 8.230 -0.000 0.000 0.437 151 P HA -0.149 4.271 4.420 -0.000 0.000 0.221 151 P C 1.628 178.931 177.300 0.004 0.000 1.145 151 P CA 1.396 64.496 63.100 0.001 0.000 0.795 151 P CB 0.036 31.735 31.700 -0.000 0.000 0.775 152 L N -2.535 118.700 121.223 0.018 0.000 2.425 152 L HA 0.222 4.564 4.340 0.003 0.000 0.215 152 L C 1.199 178.063 176.870 -0.010 0.000 1.065 152 L CA -0.234 54.614 54.840 0.014 0.000 0.842 152 L CB -0.743 41.340 42.059 0.040 0.000 1.033 152 L HN -0.208 8.022 8.230 -0.000 0.000 0.474 153 A N 0.482 123.293 122.820 -0.016 0.000 2.546 153 A HA -0.083 4.238 4.320 0.003 0.000 0.243 153 A C 1.097 178.599 177.584 -0.137 0.000 1.063 153 A CA 0.244 52.241 52.037 -0.067 0.000 0.757 153 A CB 0.370 19.329 19.000 -0.068 0.000 0.991 153 A HN 0.420 8.570 8.150 -0.000 0.000 0.503 154 Q N 1.923 121.608 119.800 -0.193 0.000 2.373 154 Q HA 0.254 4.595 4.340 0.003 0.000 0.210 154 Q C 0.645 176.261 176.000 -0.641 0.000 0.913 154 Q CA 0.864 56.510 55.803 -0.260 0.000 0.911 154 Q CB 0.318 28.975 28.738 -0.135 0.000 1.040 154 Q HN 0.925 9.195 8.270 -0.000 0.000 0.521 155 G N 1.300 109.621 108.800 -0.799 0.000 2.682 155 G HA2 0.552 4.513 3.960 0.003 0.000 0.300 155 G HA3 0.552 4.513 3.960 0.003 0.000 0.300 155 G C -1.230 173.182 174.900 -0.814 0.000 1.391 155 G CA -0.738 43.384 45.100 -1.630 0.000 0.990 155 G HN 0.303 8.593 8.290 -0.000 0.000 0.501 156 I N -0.936 119.279 120.570 -0.591 0.000 2.647 156 I HA 0.749 4.921 4.170 0.003 0.000 0.295 156 I C -0.158 175.982 176.117 0.040 0.000 1.078 156 I CA -1.041 60.155 61.300 -0.174 0.000 1.048 156 I CB 2.792 40.720 38.000 -0.121 0.000 1.239 156 I HN 0.439 8.649 8.210 -0.000 0.000 0.421 157 T N 1.863 116.487 114.554 0.117 0.000 3.390 157 T HA 0.496 4.848 4.350 0.003 0.000 0.315 157 T C -2.506 172.267 174.700 0.122 0.000 1.799 157 T CA -1.522 60.710 62.100 0.220 0.000 1.553 157 T CB -0.020 69.053 68.868 0.341 0.000 1.002 157 T HN 0.523 8.763 8.240 -0.000 0.000 0.715 158 P HA 0.294 4.714 4.420 -0.000 0.000 0.282 158 P C -0.414 176.900 177.300 0.023 0.000 1.259 158 P CA -0.542 62.564 63.100 0.010 0.000 0.826 158 P CB 1.331 33.006 31.700 -0.042 0.000 1.064 159 N N 1.302 120.012 118.700 0.017 0.000 2.447 159 N HA 0.207 4.948 4.740 0.003 0.000 0.271 159 N C 1.287 176.814 175.510 0.029 0.000 1.226 159 N CA -0.821 52.245 53.050 0.026 0.000 0.980 159 N CB 1.040 39.552 38.487 0.042 0.000 1.206 159 N HN 0.184 8.564 8.380 -0.000 0.000 0.558 160 I N -0.656 119.939 120.570 0.041 0.000 2.074 160 I HA -0.345 3.827 4.170 0.003 0.000 0.238 160 I C 2.253 178.412 176.117 0.069 0.000 1.037 160 I CA 1.822 63.150 61.300 0.046 0.000 1.301 160 I CB -0.496 37.536 38.000 0.055 0.000 1.016 160 I HN 0.523 8.733 8.210 -0.000 0.000 0.400 161 F N 1.931 121.849 119.950 -0.052 0.000 2.025 161 F HA -0.293 4.236 4.527 0.003 0.000 0.297 161 F C 2.528 178.271 175.800 -0.095 0.000 1.132 161 F CA 2.147 60.100 58.000 -0.078 0.000 1.191 161 F CB -0.658 38.288 39.000 -0.089 0.000 0.963 161 F HN 0.109 8.409 8.300 -0.000 0.000 0.481 162 E N -0.005 120.097 120.200 -0.164 0.000 2.086 162 E HA -0.297 4.054 4.350 0.003 0.000 0.200 162 E C 2.119 178.552 176.600 -0.279 0.000 1.012 162 E CA 1.694 57.913 56.400 -0.301 0.000 0.812 162 E CB -0.691 28.933 29.700 -0.127 0.000 0.743 162 E HN 0.421 8.781 8.360 -0.000 0.000 0.453 163 L N 1.674 122.804 121.223 -0.155 0.000 2.079 163 L HA -0.194 4.147 4.340 0.003 0.000 0.210 163 L C 1.957 178.742 176.870 -0.141 0.000 1.081 163 L CA 1.782 56.551 54.840 -0.119 0.000 0.752 163 L CB -0.246 41.780 42.059 -0.055 0.000 0.896 163 L HN 0.079 8.309 8.230 -0.000 0.000 0.433 164 E N -0.236 119.863 120.200 -0.168 0.000 2.031 164 E HA -0.234 4.118 4.350 0.003 0.000 0.193 164 E C 2.218 178.696 176.600 -0.204 0.000 0.994 164 E CA 1.929 58.239 56.400 -0.151 0.000 0.800 164 E CB -0.364 29.271 29.700 -0.107 0.000 0.752 164 E HN 0.772 9.132 8.360 -0.000 0.000 0.447 165 I N -0.963 119.379 120.570 -0.381 0.000 2.439 165 I HA -0.143 4.029 4.170 0.003 0.000 0.251 165 I C 2.328 178.317 176.117 -0.214 0.000 1.139 165 I CA 0.779 61.879 61.300 -0.333 0.000 1.438 165 I CB -0.080 37.587 38.000 -0.556 0.000 1.085 165 I HN -0.001 8.209 8.210 -0.000 0.000 0.427 166 L N 0.925 122.013 121.223 -0.224 0.000 2.109 166 L HA -0.076 4.265 4.340 0.003 0.000 0.207 166 L C 2.454 179.266 176.870 -0.098 0.000 1.086 166 L CA 2.184 56.933 54.840 -0.153 0.000 0.760 166 L CB -0.597 41.358 42.059 -0.173 0.000 0.910 166 L HN 0.371 8.601 8.230 -0.000 0.000 0.437 167 T N -1.906 112.591 114.554 -0.094 0.000 3.081 167 T HA 0.219 4.571 4.350 0.003 0.000 0.250 167 T C 1.409 176.081 174.700 -0.046 0.000 1.100 167 T CA 0.708 62.773 62.100 -0.060 0.000 1.038 167 T CB -0.196 68.641 68.868 -0.050 0.000 0.962 167 T HN 0.642 8.882 8.240 -0.000 0.000 0.516 168 G N 1.654 110.421 108.800 -0.055 0.000 2.382 168 G HA2 -0.314 3.647 3.960 0.003 0.000 0.259 168 G HA3 -0.314 3.647 3.960 0.003 0.000 0.259 168 G C 0.314 175.203 174.900 -0.018 0.000 1.009 168 G CA 0.912 45.993 45.100 -0.031 0.000 0.625 168 G HN 0.570 8.860 8.290 -0.000 0.000 0.541 169 K N 0.336 120.723 120.400 -0.023 0.000 2.230 169 K HA 0.308 4.630 4.320 0.003 0.000 0.253 169 K C 0.609 177.205 176.600 -0.006 0.000 1.008 169 K CA 0.071 56.351 56.287 -0.011 0.000 0.910 169 K CB 0.190 32.683 32.500 -0.012 0.000 0.994 169 K HN 0.206 8.456 8.250 -0.000 0.000 0.495 170 N N 1.297 120.001 118.700 0.005 0.000 2.538 170 N HA 0.029 4.771 4.740 0.003 0.000 0.291 170 N C -0.588 174.932 175.510 0.017 0.000 1.323 170 N CA -0.207 52.853 53.050 0.016 0.000 0.934 170 N CB 0.253 38.756 38.487 0.027 0.000 1.255 170 N HN 0.541 8.921 8.380 -0.000 0.000 0.509 171 C N 1.493 120.798 119.300 0.009 0.000 1.353 171 C HA -0.167 4.294 4.460 0.003 0.000 0.468 171 C C 1.331 176.332 174.990 0.018 0.000 1.448 171 C CA 0.458 59.482 59.018 0.011 0.000 1.697 171 C CB -0.614 27.132 27.740 0.009 0.000 3.088 171 C HN 0.594 8.824 8.230 -0.000 0.000 0.567 172 R N 2.247 122.755 120.500 0.015 0.000 2.544 172 R HA 0.363 4.705 4.340 0.003 0.000 0.303 172 R C -0.518 175.789 176.300 0.011 0.000 0.939 172 R CA 0.493 56.602 56.100 0.016 0.000 1.102 172 R CB 0.237 30.546 30.300 0.016 0.000 1.440 172 R HN 0.917 9.187 8.270 -0.000 0.000 0.532 173 D N -1.879 118.526 120.400 0.008 0.000 2.639 173 D HA 0.143 4.784 4.640 0.003 0.000 0.271 173 D C 0.402 176.704 176.300 0.004 0.000 1.254 173 D CA -0.921 53.082 54.000 0.005 0.000 0.810 173 D CB 0.534 41.336 40.800 0.004 0.000 1.351 173 D HN -0.204 8.166 8.370 -0.000 0.000 0.427 174 L N 0.090 121.314 121.223 0.002 0.000 1.987 174 L HA -0.279 4.063 4.340 0.003 0.000 0.230 174 L C 1.497 178.369 176.870 0.004 0.000 1.089 174 L CA 2.278 57.119 54.840 0.001 0.000 0.802 174 L CB -0.554 41.504 42.059 -0.002 0.000 0.905 174 L HN 0.574 8.804 8.230 -0.000 0.000 0.441 175 D N -0.649 119.753 120.400 0.003 0.000 2.133 175 D HA -0.189 4.453 4.640 0.003 0.000 0.192 175 D C 2.202 178.505 176.300 0.006 0.000 1.001 175 D CA 1.893 55.895 54.000 0.004 0.000 0.844 175 D CB -0.163 40.639 40.800 0.003 0.000 0.944 175 D HN 0.341 8.711 8.370 -0.000 0.000 0.447 176 S N 0.859 116.563 115.700 0.006 0.000 2.351 176 S HA -0.154 4.317 4.470 0.003 0.000 0.220 176 S C 2.237 176.841 174.600 0.006 0.000 1.035 176 S CA 1.331 59.535 58.200 0.006 0.000 1.031 176 S CB -0.374 62.830 63.200 0.007 0.000 0.928 176 S HN 0.409 8.719 8.310 -0.000 0.000 0.433 177 A N 1.324 124.148 122.820 0.007 0.000 1.940 177 A HA -0.072 4.249 4.320 0.003 0.000 0.219 177 A C 2.092 179.682 177.584 0.011 0.000 1.176 177 A CA 1.337 53.379 52.037 0.008 0.000 0.631 177 A CB -0.789 18.216 19.000 0.009 0.000 0.814 177 A HN 0.508 8.658 8.150 -0.000 0.000 0.446 178 I N -0.484 120.093 120.570 0.012 0.000 2.315 178 I HA -0.236 3.936 4.170 0.003 0.000 0.248 178 I C 2.954 179.080 176.117 0.015 0.000 1.117 178 I CA 0.909 62.219 61.300 0.017 0.000 1.404 178 I CB -0.411 37.597 38.000 0.014 0.000 1.071 178 I HN 0.361 8.571 8.210 -0.000 0.000 0.419 179 A N 1.045 123.872 122.820 0.010 0.000 1.877 179 A HA -0.167 4.154 4.320 0.003 0.000 0.216 179 A C 2.594 180.182 177.584 0.006 0.000 1.186 179 A CA 1.910 53.952 52.037 0.008 0.000 0.620 179 A CB -0.913 18.091 19.000 0.005 0.000 0.822 179 A HN 0.409 8.559 8.150 -0.000 0.000 0.443 180 A N -0.019 122.803 122.820 0.003 0.000 1.883 180 A HA 0.064 4.386 4.320 0.003 0.000 0.217 180 A C 2.556 180.140 177.584 -0.001 0.000 1.186 180 A CA 2.580 54.615 52.037 -0.004 0.000 0.624 180 A CB -1.258 17.736 19.000 -0.010 0.000 0.822 180 A HN 1.206 9.356 8.150 -0.000 0.000 0.444 181 A N -0.168 122.657 122.820 0.009 0.000 1.884 181 A HA -0.257 4.065 4.320 0.003 0.000 0.219 181 A C 2.120 179.715 177.584 0.019 0.000 1.197 181 A CA 2.149 54.198 52.037 0.019 0.000 0.637 181 A CB -0.522 18.502 19.000 0.039 0.000 0.827 181 A HN 0.435 8.585 8.150 -0.000 0.000 0.450 182 K N 0.392 120.804 120.400 0.020 0.000 2.044 182 K HA -0.169 4.152 4.320 0.003 0.000 0.210 182 K C 2.328 178.934 176.600 0.009 0.000 1.049 182 K CA 1.755 58.053 56.287 0.018 0.000 0.927 182 K CB -0.923 31.587 32.500 0.016 0.000 0.713 182 K HN 0.723 8.973 8.250 -0.000 0.000 0.443 183 S N 0.869 116.571 115.700 0.002 0.000 2.465 183 S HA -0.083 4.389 4.470 0.003 0.000 0.241 183 S C 1.936 176.531 174.600 -0.009 0.000 1.000 183 S CA 0.815 59.012 58.200 -0.004 0.000 0.964 183 S CB -0.365 62.831 63.200 -0.007 0.000 0.763 183 S HN 0.240 8.550 8.310 -0.000 0.000 0.512 184 L N 0.167 121.384 121.223 -0.010 0.000 2.477 184 L HA 0.353 4.695 4.340 0.003 0.000 0.220 184 L C 0.890 177.747 176.870 -0.021 0.000 1.106 184 L CA -0.107 54.721 54.840 -0.020 0.000 0.851 184 L CB -0.262 41.781 42.059 -0.028 0.000 0.994 184 L HN 0.262 8.492 8.230 -0.000 0.000 0.462 185 L N -0.169 121.049 121.223 -0.008 0.000 2.479 185 L HA 0.072 4.414 4.340 0.003 0.000 0.270 185 L C 0.670 177.535 176.870 -0.009 0.000 1.236 185 L CA 0.444 55.282 54.840 -0.005 0.000 0.823 185 L CB 0.530 42.599 42.059 0.016 0.000 1.098 185 L HN 0.301 8.531 8.230 -0.000 0.000 0.500 186 S N -1.711 113.984 115.700 -0.008 0.000 2.682 186 S HA 0.108 4.580 4.470 0.003 0.000 0.280 186 S C 0.015 174.612 174.600 -0.004 0.000 1.207 186 S CA -0.738 57.457 58.200 -0.008 0.000 0.987 186 S CB 0.666 63.858 63.200 -0.015 0.000 1.263 186 S HN 0.567 8.877 8.310 -0.000 0.000 0.494 187 D N 1.047 121.444 120.400 -0.005 0.000 2.264 187 D HA 0.060 4.702 4.640 0.003 0.000 0.208 187 D C 1.285 177.582 176.300 -0.005 0.000 0.966 187 D CA 1.810 55.809 54.000 -0.001 0.000 0.864 187 D CB -0.159 40.639 40.800 -0.002 0.000 0.933 187 D HN 0.605 8.975 8.370 -0.000 0.000 0.499 188 T N 0.353 114.898 114.554 -0.015 0.000 3.045 188 T HA 0.045 4.397 4.350 0.003 0.000 0.239 188 T C 0.659 175.329 174.700 -0.050 0.000 1.008 188 T CA -0.407 61.678 62.100 -0.025 0.000 1.143 188 T CB 0.399 69.252 68.868 -0.025 0.000 0.894 188 T HN -0.055 8.185 8.240 -0.000 0.000 0.451 189 L N 3.327 124.513 121.223 -0.061 0.000 2.433 189 L HA 0.298 4.640 4.340 0.003 0.000 0.284 189 L C 0.831 177.656 176.870 -0.076 0.000 1.120 189 L CA -0.004 54.772 54.840 -0.107 0.000 0.879 189 L CB 0.203 42.205 42.059 -0.094 0.000 1.232 189 L HN -0.177 8.053 8.230 -0.000 0.000 0.454 190 K N 5.351 125.694 120.400 -0.094 0.000 2.314 190 K HA 0.152 4.473 4.320 0.003 0.000 0.198 190 K C -0.352 176.355 176.600 0.177 0.000 1.045 190 K CA 0.513 56.828 56.287 0.047 0.000 0.988 190 K CB 0.195 32.777 32.500 0.138 0.000 0.783 190 K HN 0.762 9.012 8.250 -0.000 0.000 0.484 191 W N -1.587 119.726 121.300 0.022 0.000 3.146 191 W HA 0.487 5.150 4.660 0.004 0.000 0.319 191 W C -1.521 175.016 176.519 0.030 0.000 1.258 191 W CA -0.939 56.421 57.345 0.025 0.000 1.189 191 W CB 0.720 30.197 29.460 0.028 0.000 1.412 191 W HN -0.431 7.749 8.180 -0.000 0.000 0.567 192 V N 2.419 122.565 119.914 0.387 0.000 2.462 192 V HA 0.222 4.344 4.120 0.003 0.000 0.288 192 V C -0.468 175.827 176.094 0.335 0.000 1.020 192 V CA -0.722 61.733 62.300 0.258 0.000 0.857 192 V CB 1.422 33.311 31.823 0.110 0.000 1.013 192 V HN 0.391 8.581 8.190 -0.000 0.000 0.431 193 V N 5.894 126.070 119.914 0.437 0.000 2.320 193 V HA 0.298 4.419 4.120 0.003 0.000 0.265 193 V C 0.195 176.413 176.094 0.206 0.000 1.048 193 V CA -0.275 62.221 62.300 0.328 0.000 0.865 193 V CB 1.553 33.629 31.823 0.422 0.000 1.043 193 V HN 0.618 8.808 8.190 -0.000 0.000 0.474 194 V N 6.416 126.405 119.914 0.125 0.000 2.481 194 V HA 0.792 4.914 4.120 0.003 0.000 0.286 194 V C 0.363 176.477 176.094 0.034 0.000 1.042 194 V CA 0.258 62.599 62.300 0.069 0.000 0.928 194 V CB 2.003 33.852 31.823 0.045 0.000 0.986 194 V HN 1.007 9.197 8.190 -0.000 0.000 0.462 195 T N 2.807 117.364 114.554 0.005 0.000 2.916 195 T HA 0.749 5.101 4.350 0.003 0.000 0.292 195 T C -0.531 174.150 174.700 -0.032 0.000 1.055 195 T CA -0.544 61.530 62.100 -0.043 0.000 1.009 195 T CB 1.748 70.545 68.868 -0.118 0.000 1.118 195 T HN 1.043 9.283 8.240 -0.000 0.000 0.497 196 S N 0.017 115.692 115.700 -0.042 0.000 2.566 196 S HA 0.635 5.107 4.470 0.003 0.000 0.273 196 S C -1.040 173.539 174.600 -0.036 0.000 1.157 196 S CA -0.502 57.682 58.200 -0.027 0.000 0.938 196 S CB 1.037 64.229 63.200 -0.012 0.000 1.087 196 S HN 1.377 9.687 8.310 -0.000 0.000 0.474 197 A N 3.797 126.597 122.820 -0.034 0.000 2.621 197 A HA 0.679 5.000 4.320 0.003 0.000 0.329 197 A C 0.392 177.960 177.584 -0.028 0.000 1.458 197 A CA -0.368 51.648 52.037 -0.035 0.000 1.052 197 A CB -0.175 18.801 19.000 -0.041 0.000 1.142 197 A HN 0.715 8.865 8.150 -0.000 0.000 0.523 203 N N 0.749 119.442 118.700 -0.012 0.000 2.616 203 N HA 0.128 4.869 4.740 0.003 0.000 0.281 203 N C -1.866 173.639 175.510 -0.009 0.000 1.145 203 N CA -0.288 52.757 53.050 -0.008 0.000 0.919 203 N CB 2.074 40.559 38.487 -0.004 0.000 1.509 203 N HN 0.179 8.559 8.380 -0.000 0.000 0.537 204 Q N 1.993 121.787 119.800 -0.010 0.000 2.360 204 Q HA 0.147 4.489 4.340 0.003 0.000 0.254 204 Q C -0.819 175.179 176.000 -0.005 0.000 0.975 204 Q CA -0.421 55.375 55.803 -0.012 0.000 0.912 204 Q CB 0.971 29.697 28.738 -0.021 0.000 1.212 204 Q HN 0.494 8.764 8.270 -0.000 0.000 0.452 205 E N 4.186 124.383 120.200 -0.005 0.000 2.338 205 E HA 0.067 4.419 4.350 0.003 0.000 0.272 205 E C -0.763 175.833 176.600 -0.007 0.000 1.029 205 E CA -0.209 56.191 56.400 0.000 0.000 0.872 205 E CB 0.727 30.423 29.700 -0.006 0.000 1.015 205 E HN 0.533 8.893 8.360 -0.000 0.000 0.417 206 M N 4.569 124.171 119.600 0.003 0.000 2.055 206 M HA 0.162 4.644 4.480 0.003 0.000 0.346 206 M C -1.146 175.128 176.300 -0.043 0.000 1.074 206 M CA -0.253 55.037 55.300 -0.015 0.000 1.009 206 M CB 1.118 33.727 32.600 0.014 0.000 1.423 206 M HN 0.526 8.816 8.290 -0.000 0.000 0.410 207 Q N 2.849 122.619 119.800 -0.051 0.000 2.274 207 Q HA 0.571 4.912 4.340 0.003 0.000 0.256 207 Q C -0.845 175.117 176.000 -0.063 0.000 0.927 207 Q CA -0.480 55.286 55.803 -0.061 0.000 0.939 207 Q CB 1.947 30.659 28.738 -0.042 0.000 1.201 207 Q HN 0.428 8.698 8.270 -0.000 0.000 0.426 208 V N 3.022 122.892 119.914 -0.073 0.000 2.540 208 V HA 0.456 4.577 4.120 0.003 0.000 0.302 208 V C -0.509 175.572 176.094 -0.022 0.000 1.035 208 V CA -0.819 61.456 62.300 -0.042 0.000 0.873 208 V CB 2.085 33.890 31.823 -0.029 0.000 0.992 208 V HN 0.495 8.685 8.190 -0.000 0.000 0.428 209 V N 4.980 124.899 119.914 0.009 0.000 2.443 209 V HA 0.440 4.562 4.120 0.003 0.000 0.293 209 V C -0.303 175.820 176.094 0.048 0.000 1.021 209 V CA -0.642 61.667 62.300 0.016 0.000 0.848 209 V CB 1.966 33.798 31.823 0.016 0.000 0.998 209 V HN 0.614 8.804 8.190 -0.000 0.000 0.424 210 V N 5.939 125.876 119.914 0.038 0.000 2.383 210 V HA 0.491 4.613 4.120 0.003 0.000 0.275 210 V C -0.051 176.082 176.094 0.065 0.000 1.036 210 V CA -0.405 61.929 62.300 0.056 0.000 0.889 210 V CB 1.577 33.401 31.823 0.002 0.000 0.985 210 V HN 0.612 8.802 8.190 -0.000 0.000 0.459 211 V N 4.696 124.678 119.914 0.114 0.000 2.604 211 V HA 0.807 4.928 4.120 0.003 0.000 0.305 211 V C 0.258 176.439 176.094 0.144 0.000 1.043 211 V CA -0.226 62.135 62.300 0.102 0.000 0.888 211 V CB 2.069 33.944 31.823 0.087 0.000 0.995 211 V HN 1.051 9.241 8.190 -0.000 0.000 0.429 212 T N 0.820 115.438 114.554 0.107 0.000 2.669 212 T HA 0.697 5.049 4.350 0.003 0.000 0.283 212 T C 0.934 175.682 174.700 0.080 0.000 1.019 212 T CA 0.056 62.231 62.100 0.125 0.000 1.039 212 T CB 1.780 70.718 68.868 0.117 0.000 1.374 212 T HN 0.680 8.920 8.240 -0.000 0.000 0.523 213 A N -0.456 122.408 122.820 0.074 0.000 2.014 213 A HA 0.358 4.680 4.320 0.003 0.000 0.218 213 A C 1.750 179.356 177.584 0.037 0.000 1.163 213 A CA 1.716 53.782 52.037 0.049 0.000 0.652 213 A CB -1.369 17.658 19.000 0.046 0.000 0.808 213 A HN 1.182 9.332 8.150 -0.000 0.000 0.449 214 D N -0.740 119.683 120.400 0.038 0.000 2.650 214 D HA 0.503 5.144 4.640 0.003 0.000 0.265 214 D C 0.048 176.361 176.300 0.022 0.000 1.339 214 D CA 0.602 54.617 54.000 0.026 0.000 0.816 214 D CB -0.316 40.498 40.800 0.023 0.000 1.091 214 D HN 0.869 9.239 8.370 -0.000 0.000 0.483 215 S N -2.141 113.574 115.700 0.025 0.000 2.683 215 S HA 0.513 4.984 4.470 0.003 0.000 0.278 215 S C -1.622 172.990 174.600 0.021 0.000 1.059 215 S CA -0.544 57.666 58.200 0.017 0.000 0.847 215 S CB 1.419 64.625 63.200 0.010 0.000 1.078 215 S HN 0.665 8.975 8.310 -0.000 0.000 0.456 216 V N 2.543 122.464 119.914 0.012 0.000 2.445 216 V HA 0.502 4.624 4.120 0.003 0.000 0.283 216 V C -0.758 175.335 176.094 -0.002 0.000 1.014 216 V CA -0.640 61.667 62.300 0.012 0.000 0.852 216 V CB 1.247 33.077 31.823 0.012 0.000 1.021 216 V HN 0.877 9.068 8.190 -0.000 0.000 0.435 217 N N 2.432 121.128 118.700 -0.006 0.000 2.466 217 N HA 0.742 5.484 4.740 0.003 0.000 0.294 217 N C -0.995 174.499 175.510 -0.027 0.000 1.129 217 N CA -0.317 52.720 53.050 -0.023 0.000 0.931 217 N CB 2.827 41.295 38.487 -0.032 0.000 1.193 217 N HN 0.353 8.733 8.380 -0.000 0.000 0.500 218 V N 2.206 122.092 119.914 -0.046 0.000 2.789 218 V HA 0.583 4.705 4.120 0.003 0.000 0.311 218 V C -0.246 175.790 176.094 -0.096 0.000 1.073 218 V CA -0.642 61.624 62.300 -0.057 0.000 0.921 218 V CB 2.105 33.898 31.823 -0.050 0.000 1.009 218 V HN 0.490 8.680 8.190 -0.000 0.000 0.426 219 I N 2.357 122.855 120.570 -0.119 0.000 2.730 219 I HA 0.636 4.807 4.170 0.003 0.000 0.298 219 I C -0.571 175.385 176.117 -0.268 0.000 1.089 219 I CA -0.515 60.657 61.300 -0.213 0.000 1.041 219 I CB 2.403 40.279 38.000 -0.206 0.000 1.235 219 I HN 0.582 8.792 8.210 -0.000 0.000 0.423 220 S N 3.879 119.363 115.700 -0.361 0.000 2.737 220 S HA 0.462 4.934 4.470 0.003 0.000 0.269 220 S C -1.168 173.276 174.600 -0.260 0.000 1.150 220 S CA -0.604 57.430 58.200 -0.276 0.000 1.077 220 S CB 0.247 63.371 63.200 -0.127 0.000 1.075 220 S HN 0.543 8.853 8.310 -0.000 0.000 0.476 221 H N 1.585 120.671 119.070 0.026 0.000 2.499 221 H HA 0.491 5.048 4.556 0.003 0.000 0.340 221 H C -0.048 175.286 175.328 0.010 0.000 1.148 221 H CA -0.545 55.522 56.048 0.032 0.000 1.215 221 H CB 1.845 31.633 29.762 0.043 0.000 1.529 221 H HN 0.506 8.786 8.280 -0.000 0.000 0.510 222 S N 1.747 117.534 115.700 0.146 0.000 2.499 222 S HA 0.385 4.856 4.470 0.003 0.000 0.279 222 S C 0.101 174.735 174.600 0.057 0.000 1.219 222 S CA -0.612 57.630 58.200 0.070 0.000 1.062 222 S CB 0.496 63.726 63.200 0.049 0.000 0.978 222 S HN 0.504 8.814 8.310 -0.000 0.000 0.489 223 R N 2.396 122.915 120.500 0.032 0.000 2.778 223 R HA 0.576 4.918 4.340 0.003 0.000 0.277 223 R C -1.020 175.281 176.300 0.002 0.000 0.977 223 R CA -0.820 55.289 56.100 0.016 0.000 0.950 223 R CB 1.543 31.848 30.300 0.009 0.000 1.165 223 R HN 0.575 8.845 8.270 -0.000 0.000 0.474 224 V N 1.697 121.609 119.914 -0.003 0.000 2.555 224 V HA 0.180 4.301 4.120 0.003 0.000 0.286 224 V C 0.390 176.474 176.094 -0.017 0.000 1.044 224 V CA -0.563 61.731 62.300 -0.010 0.000 1.026 224 V CB 0.735 32.551 31.823 -0.011 0.000 0.981 224 V HN 0.684 8.874 8.190 -0.000 0.000 0.480 225 K N 4.006 124.394 120.400 -0.020 0.000 2.416 225 K HA 0.412 4.733 4.320 0.003 0.000 0.283 225 K C -0.039 176.541 176.600 -0.032 0.000 1.037 225 K CA 0.291 56.562 56.287 -0.028 0.000 0.995 225 K CB 0.398 32.882 32.500 -0.027 0.000 0.938 225 K HN 1.134 9.384 8.250 -0.000 0.000 0.475 226 T N 0.267 114.797 114.554 -0.041 0.000 2.769 226 T HA 0.213 4.564 4.350 0.003 0.000 0.306 226 T C -0.566 174.094 174.700 -0.068 0.000 1.400 226 T CA -0.928 61.145 62.100 -0.046 0.000 1.007 226 T CB 1.255 70.102 68.868 -0.035 0.000 1.392 226 T HN 0.429 8.669 8.240 -0.000 0.000 0.500 227 D N 0.354 120.706 120.400 -0.079 0.000 2.402 227 D HA 0.313 4.955 4.640 0.003 0.000 0.216 227 D C 0.267 176.496 176.300 -0.119 0.000 1.128 227 D CA -0.174 53.753 54.000 -0.121 0.000 0.833 227 D CB 0.037 40.757 40.800 -0.134 0.000 0.971 227 D HN 0.443 8.813 8.370 -0.000 0.000 0.503 228 L N 1.285 122.465 121.223 -0.072 0.000 2.455 228 L HA 0.078 4.419 4.340 0.003 0.000 0.272 228 L C 0.823 177.665 176.870 -0.047 0.000 1.174 228 L CA 0.280 55.095 54.840 -0.041 0.000 0.869 228 L CB 0.466 42.517 42.059 -0.013 0.000 1.130 228 L HN -0.306 7.924 8.230 -0.000 0.000 0.474 229 K N 1.613 122.000 120.400 -0.022 0.000 2.258 229 K HA 0.562 4.884 4.320 0.003 0.000 0.236 229 K C 0.801 177.419 176.600 0.029 0.000 1.008 229 K CA -0.059 56.224 56.287 -0.005 0.000 0.869 229 K CB 1.487 34.006 32.500 0.032 0.000 1.171 229 K HN 0.728 8.978 8.250 -0.000 0.000 0.447 230 G N -0.096 108.729 108.800 0.042 0.000 2.199 230 G HA2 -0.361 3.600 3.960 0.003 0.000 0.254 230 G HA3 -0.361 3.600 3.960 0.003 0.000 0.254 230 G C 1.022 175.964 174.900 0.070 0.000 0.982 230 G CA 1.151 46.286 45.100 0.058 0.000 0.632 230 G HN 0.609 8.899 8.290 -0.000 0.000 0.529 231 T N -1.340 113.247 114.554 0.055 0.000 2.803 231 T HA 0.080 4.432 4.350 0.003 0.000 0.269 231 T C 2.450 177.218 174.700 0.114 0.000 1.052 231 T CA 2.029 64.170 62.100 0.069 0.000 1.136 231 T CB -0.678 68.210 68.868 0.033 0.000 0.864 231 T HN 1.297 9.537 8.240 -0.000 0.000 0.467 232 G N 1.365 110.225 108.800 0.100 0.000 2.394 232 G HA2 -0.112 3.849 3.960 0.003 0.000 0.215 232 G HA3 -0.112 3.849 3.960 0.003 0.000 0.215 232 G C 1.387 176.416 174.900 0.215 0.000 1.165 232 G CA 0.732 45.921 45.100 0.149 0.000 0.784 232 G HN 0.478 8.768 8.290 -0.000 0.000 0.535 233 D N 0.395 120.889 120.400 0.156 0.000 2.117 233 D HA -0.077 4.565 4.640 0.003 0.000 0.197 233 D C 2.433 178.816 176.300 0.138 0.000 0.987 233 D CA 0.383 54.470 54.000 0.145 0.000 0.829 233 D CB -0.059 40.809 40.800 0.113 0.000 0.961 233 D HN 0.250 8.620 8.370 -0.000 0.000 0.460 234 L N 0.140 121.442 121.223 0.132 0.000 2.046 234 L HA -0.181 4.161 4.340 0.003 0.000 0.208 234 L C 2.419 179.371 176.870 0.136 0.000 1.077 234 L CA 0.937 55.843 54.840 0.110 0.000 0.747 234 L CB -0.231 41.887 42.059 0.099 0.000 0.896 234 L HN -0.083 8.147 8.230 -0.000 0.000 0.432 235 F N 0.320 120.295 119.950 0.042 0.000 2.065 235 F HA -0.330 4.199 4.527 0.002 0.000 0.298 235 F C 2.534 178.370 175.800 0.059 0.000 1.112 235 F CA 2.031 60.059 58.000 0.046 0.000 1.212 235 F CB -0.868 38.166 39.000 0.058 0.000 0.975 235 F HN 0.123 8.423 8.300 -0.000 0.000 0.476 236 C N 0.587 119.941 119.300 0.091 0.000 2.422 236 C HA -0.086 4.375 4.460 0.003 0.000 0.279 236 C C 3.150 178.117 174.990 -0.038 0.000 1.305 236 C CA 0.993 60.010 59.018 -0.002 0.000 1.757 236 C CB -1.968 25.859 27.740 0.146 0.000 1.962 236 C HN 0.670 8.900 8.230 -0.000 0.000 0.499 237 A N -0.439 122.381 122.820 -0.000 0.000 1.877 237 A HA -0.199 4.122 4.320 0.003 0.000 0.216 237 A C 2.172 179.724 177.584 -0.055 0.000 1.186 237 A CA 1.480 53.514 52.037 -0.006 0.000 0.620 237 A CB -0.484 18.526 19.000 0.017 0.000 0.822 237 A HN 0.590 8.740 8.150 -0.000 0.000 0.443 238 Q N -1.102 118.640 119.800 -0.096 0.000 2.311 238 Q HA -0.012 4.330 4.340 0.003 0.000 0.203 238 Q C 1.952 177.832 176.000 -0.200 0.000 0.954 238 Q CA 0.754 56.482 55.803 -0.125 0.000 0.885 238 Q CB -0.225 28.448 28.738 -0.108 0.000 0.963 238 Q HN 0.600 8.870 8.270 -0.000 0.000 0.471 239 L N 0.329 121.362 121.223 -0.316 0.000 2.023 239 L HA -0.092 4.250 4.340 0.003 0.000 0.205 239 L C 2.053 178.830 176.870 -0.155 0.000 1.073 239 L CA 1.346 55.978 54.840 -0.347 0.000 0.745 239 L CB -0.797 40.967 42.059 -0.493 0.000 0.900 239 L HN 0.121 8.351 8.230 -0.000 0.000 0.435 240 I N -0.835 119.688 120.570 -0.077 0.000 2.361 240 I HA -0.224 3.948 4.170 0.003 0.000 0.251 240 I C 2.299 178.404 176.117 -0.020 0.000 1.133 240 I CA 1.480 62.777 61.300 -0.004 0.000 1.413 240 I CB -0.418 37.602 38.000 0.034 0.000 1.073 240 I HN 0.288 8.498 8.210 -0.000 0.000 0.424 241 S N 0.235 115.908 115.700 -0.045 0.000 2.371 241 S HA -0.010 4.462 4.470 0.003 0.000 0.224 241 S C 2.032 176.604 174.600 -0.048 0.000 1.029 241 S CA 0.972 59.148 58.200 -0.041 0.000 0.978 241 S CB -0.805 62.368 63.200 -0.046 0.000 0.833 241 S HN 0.657 8.967 8.310 -0.000 0.000 0.466 242 G N 1.710 110.468 108.800 -0.070 0.000 2.422 242 G HA2 -0.126 3.836 3.960 0.003 0.000 0.218 242 G HA3 -0.126 3.836 3.960 0.003 0.000 0.218 242 G C 1.314 176.178 174.900 -0.060 0.000 1.146 242 G CA 0.572 45.630 45.100 -0.071 0.000 0.769 242 G HN 0.415 8.705 8.290 -0.000 0.000 0.547 243 L N -0.151 121.037 121.223 -0.059 0.000 2.044 243 L HA 0.105 4.447 4.340 0.003 0.000 0.205 243 L C 2.719 179.583 176.870 -0.010 0.000 1.075 243 L CA 0.450 55.267 54.840 -0.039 0.000 0.747 243 L CB -0.402 41.645 42.059 -0.019 0.000 0.903 243 L HN 0.138 8.368 8.230 -0.000 0.000 0.435 244 L N -0.122 121.100 121.223 -0.002 0.000 2.549 244 L HA -0.150 4.192 4.340 0.003 0.000 0.229 244 L C 1.609 178.475 176.870 -0.006 0.000 1.158 244 L CA 1.018 55.860 54.840 0.004 0.000 0.842 244 L CB -0.316 41.746 42.059 0.005 0.000 0.952 244 L HN 0.260 8.490 8.230 -0.000 0.000 0.452 245 K N -0.546 119.844 120.400 -0.017 0.000 2.399 245 K HA 0.246 4.568 4.320 0.003 0.000 0.204 245 K C 1.186 177.775 176.600 -0.018 0.000 1.023 245 K CA 0.483 56.759 56.287 -0.019 0.000 1.127 245 K CB 0.868 33.352 32.500 -0.026 0.000 0.856 245 K HN 0.260 8.510 8.250 -0.000 0.000 0.514 246 G N 1.284 110.074 108.800 -0.017 0.000 2.234 246 G HA2 -0.233 3.728 3.960 0.003 0.000 0.235 246 G HA3 -0.233 3.728 3.960 0.003 0.000 0.235 246 G C -0.017 174.868 174.900 -0.025 0.000 0.997 246 G CA -0.348 44.742 45.100 -0.017 0.000 0.623 246 G HN 0.082 8.372 8.290 -0.000 0.000 0.514 247 K N 1.472 121.852 120.400 -0.034 0.000 2.469 247 K HA 0.521 4.843 4.320 0.003 0.000 0.274 247 K C 0.977 177.543 176.600 -0.057 0.000 0.983 247 K CA 0.581 56.843 56.287 -0.042 0.000 0.974 247 K CB 0.418 32.889 32.500 -0.049 0.000 0.913 247 K HN 0.876 9.126 8.250 -0.000 0.000 0.493 248 A N 2.938 125.725 122.820 -0.054 0.000 2.366 248 A HA 0.079 4.401 4.320 0.003 0.000 0.249 248 A C 1.660 179.172 177.584 -0.121 0.000 1.084 248 A CA -0.345 51.649 52.037 -0.072 0.000 0.794 248 A CB 0.118 19.088 19.000 -0.051 0.000 1.034 248 A HN 0.847 8.997 8.150 -0.000 0.000 0.491 249 L N 1.221 122.334 121.223 -0.184 0.000 1.956 249 L HA -0.201 4.141 4.340 0.003 0.000 0.216 249 L C 2.474 179.208 176.870 -0.226 0.000 1.073 249 L CA 2.498 57.144 54.840 -0.322 0.000 0.762 249 L CB -0.443 41.334 42.059 -0.468 0.000 0.889 249 L HN 0.890 9.120 8.230 -0.000 0.000 0.433 250 T N -1.319 113.148 114.554 -0.145 0.000 2.977 250 T HA -0.196 4.156 4.350 0.003 0.000 0.271 250 T C 1.244 175.940 174.700 -0.007 0.000 1.105 250 T CA 1.431 63.489 62.100 -0.071 0.000 1.116 250 T CB -0.283 68.551 68.868 -0.056 0.000 0.878 250 T HN 0.458 8.698 8.240 -0.000 0.000 0.509 251 D N 1.079 121.468 120.400 -0.018 0.000 2.162 251 D HA 0.128 4.770 4.640 0.003 0.000 0.205 251 D C 2.233 178.550 176.300 0.027 0.000 0.964 251 D CA 0.878 54.899 54.000 0.036 0.000 0.847 251 D CB -0.276 40.527 40.800 0.005 0.000 0.988 251 D HN 0.284 8.654 8.370 -0.000 0.000 0.480 252 A N -0.069 122.722 122.820 -0.049 0.000 1.969 252 A HA -0.024 4.298 4.320 0.003 0.000 0.218 252 A C 2.371 179.905 177.584 -0.085 0.000 1.169 252 A CA 1.211 53.194 52.037 -0.091 0.000 0.635 252 A CB -0.543 18.366 19.000 -0.152 0.000 0.810 252 A HN 0.214 8.364 8.150 -0.000 0.000 0.445 253 V N -0.731 119.164 119.914 -0.032 0.000 2.379 253 V HA -0.228 3.893 4.120 0.003 0.000 0.245 253 V C 2.373 178.636 176.094 0.281 0.000 1.044 253 V CA 1.979 64.337 62.300 0.096 0.000 1.036 253 V CB -0.945 30.944 31.823 0.110 0.000 0.664 253 V HN 0.815 9.005 8.190 -0.000 0.000 0.453 254 H N 0.656 119.803 119.070 0.127 0.000 2.270 254 H HA -0.163 4.394 4.556 0.003 0.000 0.299 254 H C 2.700 178.129 175.328 0.169 0.000 1.077 254 H CA 2.025 58.201 56.048 0.213 0.000 1.294 254 H CB 0.173 30.010 29.762 0.124 0.000 1.371 254 H HN 0.266 8.546 8.280 -0.000 0.000 0.491 255 R N 0.404 120.864 120.500 -0.068 0.000 2.097 255 R HA -0.182 4.160 4.340 0.003 0.000 0.236 255 R C 2.689 178.931 176.300 -0.095 0.000 1.135 255 R CA 1.322 57.318 56.100 -0.174 0.000 0.934 255 R CB -0.582 29.654 30.300 -0.106 0.000 0.846 255 R HN 0.377 8.647 8.270 -0.000 0.000 0.431 256 A N 0.809 123.605 122.820 -0.039 0.000 1.915 256 A HA -0.213 4.108 4.320 0.003 0.000 0.220 256 A C 2.443 180.131 177.584 0.174 0.000 1.198 256 A CA 2.195 54.216 52.037 -0.027 0.000 0.647 256 A CB -1.488 17.327 19.000 -0.309 0.000 0.825 256 A HN 0.553 8.703 8.150 -0.000 0.000 0.456 257 G N -0.740 108.244 108.800 0.307 0.000 2.408 257 G HA2 -0.102 3.859 3.960 0.003 0.000 0.217 257 G HA3 -0.102 3.859 3.960 0.003 0.000 0.217 257 G C 1.557 176.370 174.900 -0.146 0.000 1.150 257 G CA 0.941 46.168 45.100 0.213 0.000 0.776 257 G HN 0.447 8.737 8.290 -0.000 0.000 0.542 258 L N -0.252 120.797 121.223 -0.289 0.000 2.046 258 L HA -0.042 4.299 4.340 0.003 0.000 0.208 258 L C 2.936 179.712 176.870 -0.156 0.000 1.077 258 L CA 1.147 55.791 54.840 -0.326 0.000 0.747 258 L CB -0.313 41.532 42.059 -0.356 0.000 0.896 258 L HN 0.149 8.379 8.230 -0.000 0.000 0.432 259 R N 0.416 120.858 120.500 -0.098 0.000 2.073 259 R HA -0.130 4.212 4.340 0.003 0.000 0.234 259 R C 2.047 178.339 176.300 -0.012 0.000 1.134 259 R CA 1.776 57.844 56.100 -0.052 0.000 0.952 259 R CB -1.053 29.221 30.300 -0.043 0.000 0.850 259 R HN 0.118 8.388 8.270 -0.000 0.000 0.433 260 V N 1.067 121.000 119.914 0.030 0.000 2.332 260 V HA -0.261 3.860 4.120 0.003 0.000 0.248 260 V C 2.401 178.506 176.094 0.018 0.000 1.055 260 V CA 2.003 64.336 62.300 0.055 0.000 1.038 260 V CB -0.520 31.370 31.823 0.113 0.000 0.651 260 V HN 0.293 8.483 8.190 -0.000 0.000 0.450 261 L N -0.195 121.014 121.223 -0.023 0.000 2.046 261 L HA -0.205 4.137 4.340 0.003 0.000 0.208 261 L C 2.625 179.488 176.870 -0.012 0.000 1.077 261 L CA 2.089 56.910 54.840 -0.032 0.000 0.747 261 L CB -0.622 41.388 42.059 -0.082 0.000 0.896 261 L HN 0.445 8.675 8.230 -0.000 0.000 0.432 262 E N 0.200 120.386 120.200 -0.023 0.000 2.110 262 E HA -0.192 4.160 4.350 0.003 0.000 0.193 262 E C 2.155 178.784 176.600 0.048 0.000 0.988 262 E CA 1.384 57.782 56.400 -0.003 0.000 0.804 262 E CB 0.162 29.841 29.700 -0.034 0.000 0.745 262 E HN 0.266 8.626 8.360 -0.000 0.000 0.458 263 V N 0.938 120.881 119.914 0.048 0.000 2.323 263 V HA -0.249 3.872 4.120 0.003 0.000 0.244 263 V C 2.426 178.593 176.094 0.121 0.000 1.041 263 V CA 1.894 64.254 62.300 0.100 0.000 1.025 263 V CB -0.405 31.460 31.823 0.070 0.000 0.656 263 V HN 0.367 8.557 8.190 -0.000 0.000 0.451 264 M N -0.668 118.972 119.600 0.067 0.000 2.213 264 M HA -0.164 4.318 4.480 0.003 0.000 0.263 264 M C 2.384 178.706 176.300 0.036 0.000 1.062 264 M CA 1.791 57.118 55.300 0.046 0.000 1.105 264 M CB -0.451 32.162 32.600 0.022 0.000 1.385 264 M HN 0.247 8.537 8.290 -0.000 0.000 0.417 265 R N -0.618 119.907 120.500 0.043 0.000 2.061 265 R HA -0.160 4.182 4.340 0.003 0.000 0.230 265 R C 2.240 178.551 176.300 0.020 0.000 1.140 265 R CA 1.795 57.908 56.100 0.022 0.000 0.940 265 R CB -0.962 29.352 30.300 0.025 0.000 0.839 265 R HN 0.288 8.558 8.270 -0.000 0.000 0.429 266 Y N 2.234 122.508 120.300 -0.044 0.000 2.181 266 Y HA -0.286 4.266 4.550 0.003 0.000 0.284 266 Y C 2.183 178.069 175.900 -0.023 0.000 1.179 266 Y CA 1.996 60.065 58.100 -0.052 0.000 1.179 266 Y CB -0.466 38.000 38.460 0.011 0.000 0.973 266 Y HN 0.003 8.283 8.280 -0.000 0.000 0.519 267 T N 0.047 114.604 114.554 0.005 0.000 2.821 267 T HA -0.184 4.168 4.350 0.003 0.000 0.267 267 T C 1.661 176.311 174.700 -0.084 0.000 1.046 267 T CA 1.721 63.801 62.100 -0.032 0.000 1.139 267 T CB -0.169 68.731 68.868 0.053 0.000 0.871 267 T HN 0.478 8.718 8.240 -0.000 0.000 0.454 268 Q N 0.408 120.162 119.800 -0.078 0.000 2.311 268 Q HA 0.020 4.362 4.340 0.003 0.000 0.203 268 Q C 2.491 178.411 176.000 -0.133 0.000 0.954 268 Q CA 0.629 56.387 55.803 -0.076 0.000 0.885 268 Q CB -0.015 28.694 28.738 -0.048 0.000 0.963 268 Q HN 0.615 8.885 8.270 -0.000 0.000 0.471 269 Q N -0.116 119.537 119.800 -0.244 0.000 2.050 269 Q HA -0.143 4.199 4.340 0.003 0.000 0.202 269 Q C 1.189 176.965 176.000 -0.373 0.000 0.980 269 Q CA 0.928 56.526 55.803 -0.342 0.000 0.840 269 Q CB 0.014 28.446 28.738 -0.510 0.000 0.898 269 Q HN 0.529 8.799 8.270 -0.000 0.000 0.424 270 H N 0.983 119.913 119.070 -0.234 0.000 2.547 270 H HA 0.110 4.668 4.556 0.003 0.000 0.274 270 H C -0.301 174.961 175.328 -0.111 0.000 1.024 270 H CA 0.289 56.222 56.048 -0.192 0.000 1.155 270 H CB -0.126 29.463 29.762 -0.288 0.000 1.344 270 H HN 0.355 8.635 8.280 -0.000 0.000 0.598 271 E N 1.009 121.194 120.200 -0.026 0.000 2.197 271 E HA -0.171 4.181 4.350 0.003 0.000 0.184 271 E C -0.423 176.192 176.600 0.024 0.000 1.439 271 E CA 0.308 56.705 56.400 -0.005 0.000 0.688 271 E CB -1.004 28.696 29.700 0.000 0.000 1.090 271 E HN 0.160 8.520 8.360 -0.000 0.000 0.341 272 S N 0.396 116.111 115.700 0.025 0.000 2.473 272 S HA 0.207 4.678 4.470 0.003 0.000 0.307 272 S C 0.441 175.077 174.600 0.059 0.000 1.094 272 S CA -0.891 57.340 58.200 0.051 0.000 1.070 272 S CB 1.214 64.441 63.200 0.046 0.000 1.019 272 S HN 0.185 8.495 8.310 -0.000 0.000 0.480 273 D N 2.515 122.974 120.400 0.098 0.000 2.363 273 D HA 0.151 4.793 4.640 0.003 0.000 0.226 273 D C 0.034 176.408 176.300 0.124 0.000 1.020 273 D CA 0.648 54.711 54.000 0.105 0.000 0.892 273 D CB 0.306 41.196 40.800 0.151 0.000 0.900 273 D HN 0.527 8.897 8.370 -0.000 0.000 0.531 274 E N -0.242 120.021 120.200 0.105 0.000 2.292 274 E HA 0.310 4.662 4.350 0.003 0.000 0.272 274 E C -0.738 175.884 176.600 0.036 0.000 0.881 274 E CA -0.632 55.809 56.400 0.067 0.000 0.754 274 E CB 1.689 31.393 29.700 0.006 0.000 1.201 274 E HN -0.109 8.251 8.360 -0.000 0.000 0.425 275 L N 3.897 125.140 121.223 0.034 0.000 2.543 275 L HA 0.132 4.473 4.340 0.003 0.000 0.285 275 L C 0.004 176.911 176.870 0.062 0.000 1.236 275 L CA 0.698 55.569 54.840 0.052 0.000 0.871 275 L CB 0.106 42.196 42.059 0.051 0.000 1.121 275 L HN 0.525 8.755 8.230 -0.000 0.000 0.501 276 I N 3.969 124.614 120.570 0.124 0.000 2.478 276 I HA 0.267 4.438 4.170 0.003 0.000 0.287 276 I C -0.438 175.832 176.117 0.255 0.000 1.042 276 I CA -0.514 60.891 61.300 0.174 0.000 1.067 276 I CB 2.021 40.139 38.000 0.196 0.000 1.233 276 I HN 0.406 8.616 8.210 -0.000 0.000 0.431 277 L N 8.188 129.493 121.223 0.137 0.000 2.361 277 L HA 0.345 4.686 4.340 0.003 0.000 0.278 277 L C -1.968 174.867 176.870 -0.058 0.000 1.113 277 L CA -1.376 53.496 54.840 0.052 0.000 0.849 277 L CB 0.531 42.595 42.059 0.008 0.000 1.155 277 L HN 0.310 8.540 8.230 -0.000 0.000 0.452 278 P HA 0.381 4.801 4.420 -0.000 0.000 0.287 278 P C -2.642 174.463 177.300 -0.324 0.000 1.270 278 P CA -2.154 60.532 63.100 -0.691 0.000 0.844 278 P CB 0.566 31.452 31.700 -1.357 0.000 1.068 279 P HA -0.067 4.353 4.420 -0.000 0.000 0.264 279 P C -1.620 175.604 177.300 -0.128 0.000 1.173 279 P CA 0.505 63.518 63.100 -0.145 0.000 0.761 279 P CB 0.280 31.911 31.700 -0.114 0.000 0.794 280 L N 0.000 121.169 121.223 -0.091 0.000 2.949 280 L HA 0.000 4.342 4.340 0.003 0.000 0.249 280 L CA 0.000 54.794 54.840 -0.076 0.000 0.813 280 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 280 L HN 0.000 8.230 8.230 -0.000 0.000 0.502