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 2wlg_1_A DATA FIRST_RESID 5 DATA SEQUENCE MYSEQGINNT INISTTSLTN ATQLTVIGNN NSVYIGNNCK IVSSNIRLKG DATA SEQUENCE NNITLFIADD VEIMGLVCSL HSDCSLQIQA KTTMGNGEIT IAEKGKISIG DATA SEQUENCE KDCMLAHGYE IRNTDMHPIY SLENGERINH GKDVIIGNHV WLGRNVTILK DATA SEQUENCE GVCIPNNVVV GSHTVLYKSF KEPNCVIAGS PAKIVKENIV WGRKMYHSTM DATA SEQUENCE YDDPTLNEFY K 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 M HA 0.000 4.480 4.480 0.000 0.000 0.227 5 M C 0.000 176.370 176.300 0.116 0.000 1.140 5 M CA 0.000 55.323 55.300 0.038 0.000 0.988 5 M CB 0.000 32.542 32.600 -0.097 0.000 1.302 6 Y N -1.617 118.675 120.300 -0.014 0.000 2.677 6 Y HA 0.756 5.307 4.550 0.002 0.000 0.334 6 Y C -1.606 174.289 175.900 -0.009 0.000 1.196 6 Y CA -0.699 57.394 58.100 -0.012 0.000 1.059 6 Y CB 1.067 39.519 38.460 -0.012 0.000 1.315 6 Y HN 0.748 9.028 8.280 0.000 0.000 0.455 7 S N 2.090 117.916 115.700 0.211 0.000 2.669 7 S HA 0.407 4.879 4.470 0.002 0.000 0.315 7 S C -1.364 173.349 174.600 0.188 0.000 1.106 7 S CA -0.421 57.861 58.200 0.137 0.000 1.107 7 S CB 0.798 64.033 63.200 0.058 0.000 0.990 7 S HN 0.792 9.102 8.310 0.000 0.000 0.471 8 E N 4.027 124.361 120.200 0.223 0.000 2.165 8 E HA 0.310 4.662 4.350 0.002 0.000 0.266 8 E C -1.325 175.329 176.600 0.090 0.000 0.889 8 E CA -0.376 56.118 56.400 0.157 0.000 0.756 8 E CB 1.595 31.416 29.700 0.202 0.000 1.131 8 E HN 0.858 9.218 8.360 0.000 0.000 0.411 9 Q N 3.750 123.583 119.800 0.054 0.000 2.275 9 Q HA 0.605 4.946 4.340 0.002 0.000 0.266 9 Q C -0.782 175.233 176.000 0.026 0.000 1.002 9 Q CA -0.386 55.439 55.803 0.037 0.000 0.761 9 Q CB 1.254 30.010 28.738 0.030 0.000 1.255 9 Q HN 0.798 9.068 8.270 0.000 0.000 0.446 10 G N 2.627 111.441 108.800 0.024 0.000 2.320 10 G HA2 0.123 4.084 3.960 0.002 0.000 0.274 10 G HA3 0.123 4.084 3.960 0.002 0.000 0.274 10 G C -1.749 173.162 174.900 0.018 0.000 1.324 10 G CA -0.723 44.388 45.100 0.018 0.000 0.957 10 G HN 0.435 8.725 8.290 0.000 0.000 0.481 11 I N 1.391 121.970 120.570 0.014 0.000 2.354 11 I HA 0.445 4.616 4.170 0.002 0.000 0.292 11 I C 0.424 176.547 176.117 0.012 0.000 0.989 11 I CA -0.816 60.492 61.300 0.014 0.000 1.188 11 I CB 0.748 38.755 38.000 0.013 0.000 1.342 11 I HN 0.626 8.836 8.210 0.000 0.000 0.457 12 N N 3.652 122.360 118.700 0.012 0.000 2.738 12 N HA -0.199 4.543 4.740 0.002 0.000 0.249 12 N C -0.398 175.115 175.510 0.004 0.000 1.047 12 N CA 0.469 53.525 53.050 0.010 0.000 0.707 12 N CB -1.076 37.417 38.487 0.010 0.000 0.937 12 N HN 0.563 8.943 8.380 0.000 0.000 0.545 13 N N 0.140 118.840 118.700 0.000 0.000 2.499 13 N HA 0.250 4.992 4.740 0.002 0.000 0.281 13 N C -0.156 175.338 175.510 -0.027 0.000 1.098 13 N CA 0.321 53.361 53.050 -0.017 0.000 0.979 13 N CB 0.866 39.337 38.487 -0.026 0.000 1.121 13 N HN 0.035 8.415 8.380 0.000 0.000 0.466 14 T N 2.568 117.101 114.554 -0.034 0.000 2.791 14 T HA 0.494 4.845 4.350 0.002 0.000 0.288 14 T C 0.336 174.990 174.700 -0.076 0.000 0.999 14 T CA -0.418 61.663 62.100 -0.033 0.000 0.952 14 T CB 0.485 69.355 68.868 0.002 0.000 0.938 14 T HN 0.248 8.488 8.240 0.000 0.000 0.444 15 I N 4.042 124.528 120.570 -0.140 0.000 2.382 15 I HA 0.400 4.571 4.170 0.002 0.000 0.286 15 I C -0.250 175.789 176.117 -0.130 0.000 1.002 15 I CA -0.851 60.306 61.300 -0.237 0.000 1.135 15 I CB 1.454 39.073 38.000 -0.636 0.000 1.288 15 I HN 0.417 8.627 8.210 0.000 0.000 0.448 16 N N 8.503 127.157 118.700 -0.077 0.000 2.573 16 N HA 0.489 5.230 4.740 0.002 0.000 0.262 16 N C -1.366 174.048 175.510 -0.159 0.000 1.029 16 N CA -0.276 52.746 53.050 -0.046 0.000 0.882 16 N CB 0.924 39.450 38.487 0.065 0.000 1.204 16 N HN 0.485 8.865 8.380 0.000 0.000 0.519 17 I N 1.192 121.686 120.570 -0.127 0.000 2.406 17 I HA 0.237 4.409 4.170 0.002 0.000 0.290 17 I C 0.580 176.617 176.117 -0.133 0.000 0.999 17 I CA -0.899 60.301 61.300 -0.168 0.000 1.124 17 I CB 1.737 39.696 38.000 -0.070 0.000 1.289 17 I HN 0.380 8.590 8.210 0.000 0.000 0.441 18 S N 3.151 118.735 115.700 -0.193 0.000 2.560 18 S HA -0.011 4.460 4.470 0.002 0.000 0.284 18 S C 1.545 176.105 174.600 -0.067 0.000 1.327 18 S CA 0.081 58.208 58.200 -0.121 0.000 1.055 18 S CB 0.724 63.844 63.200 -0.134 0.000 0.868 18 S HN 0.819 9.129 8.310 0.000 0.000 0.506 19 T N 0.827 115.358 114.554 -0.037 0.000 3.051 19 T HA -0.090 4.261 4.350 0.002 0.000 0.269 19 T C 1.472 176.158 174.700 -0.023 0.000 1.127 19 T CA 1.344 63.431 62.100 -0.021 0.000 1.107 19 T CB -0.925 67.937 68.868 -0.010 0.000 0.898 19 T HN 0.775 9.015 8.240 0.000 0.000 0.517 20 T N -1.428 113.108 114.554 -0.030 0.000 3.107 20 T HA 0.323 4.675 4.350 0.002 0.000 0.249 20 T C 0.611 175.292 174.700 -0.032 0.000 1.096 20 T CA -0.532 61.553 62.100 -0.025 0.000 1.012 20 T CB -0.060 68.795 68.868 -0.022 0.000 0.977 20 T HN 0.233 8.473 8.240 0.000 0.000 0.527 21 S N 1.519 117.193 115.700 -0.043 0.000 2.525 21 S HA 0.677 5.149 4.470 0.002 0.000 0.290 21 S C -0.698 173.884 174.600 -0.031 0.000 1.152 21 S CA -0.787 57.385 58.200 -0.046 0.000 1.072 21 S CB 0.991 64.145 63.200 -0.077 0.000 1.027 21 S HN 0.165 8.475 8.310 0.000 0.000 0.500 22 L N 2.736 123.945 121.223 -0.023 0.000 2.309 22 L HA 0.509 4.850 4.340 0.002 0.000 0.282 22 L C 1.236 178.100 176.870 -0.011 0.000 1.036 22 L CA 0.144 54.975 54.840 -0.014 0.000 0.806 22 L CB 1.040 43.094 42.059 -0.009 0.000 1.220 22 L HN 0.906 9.136 8.230 0.000 0.000 0.429 23 T N -2.451 112.101 114.554 -0.005 0.000 3.337 23 T HA 0.246 4.598 4.350 0.002 0.000 0.299 23 T C 0.247 174.950 174.700 0.004 0.000 0.998 23 T CA -0.723 61.379 62.100 0.002 0.000 0.948 23 T CB -0.753 68.122 68.868 0.012 0.000 1.170 23 T HN 0.405 8.645 8.240 0.000 0.000 0.508 24 N N 2.796 121.497 118.700 0.001 0.000 2.292 24 N HA 0.371 5.112 4.740 0.002 0.000 0.258 24 N C 1.168 176.680 175.510 0.004 0.000 1.261 24 N CA 0.992 54.043 53.050 0.001 0.000 0.845 24 N CB -0.022 38.466 38.487 0.001 0.000 1.064 24 N HN 0.630 9.010 8.380 0.000 0.000 0.471 25 A N 0.241 123.061 122.820 0.001 0.000 2.861 25 A HA -0.223 4.099 4.320 0.002 0.000 0.261 25 A C 0.393 177.981 177.584 0.006 0.000 1.351 25 A CA 1.395 53.433 52.037 0.002 0.000 0.904 25 A CB -2.346 16.656 19.000 0.003 0.000 1.076 25 A HN 0.584 8.734 8.150 0.000 0.000 0.729 26 T N 1.380 115.940 114.554 0.010 0.000 2.829 26 T HA 0.527 4.878 4.350 0.002 0.000 0.282 26 T C -0.169 174.544 174.700 0.020 0.000 0.990 26 T CA -0.328 61.782 62.100 0.016 0.000 1.028 26 T CB 1.253 70.133 68.868 0.020 0.000 0.951 26 T HN 0.354 8.594 8.240 0.000 0.000 0.460 27 Q N 2.588 122.401 119.800 0.022 0.000 2.347 27 Q HA 0.389 4.730 4.340 0.002 0.000 0.262 27 Q C -1.125 174.898 176.000 0.039 0.000 0.980 27 Q CA -0.700 55.119 55.803 0.028 0.000 0.867 27 Q CB 1.877 30.626 28.738 0.018 0.000 1.242 27 Q HN 0.418 8.688 8.270 0.000 0.000 0.453 28 L N 2.997 124.260 121.223 0.066 0.000 2.280 28 L HA 0.458 4.800 4.340 0.002 0.000 0.287 28 L C -0.863 176.058 176.870 0.085 0.000 1.023 28 L CA 0.170 55.053 54.840 0.072 0.000 0.819 28 L CB 1.713 43.832 42.059 0.099 0.000 1.212 28 L HN 0.344 8.574 8.230 0.000 0.000 0.420 29 T N 4.662 119.243 114.554 0.045 0.000 2.809 29 T HA 0.606 4.958 4.350 0.002 0.000 0.284 29 T C -0.827 173.883 174.700 0.018 0.000 0.992 29 T CA -0.401 61.723 62.100 0.040 0.000 0.957 29 T CB 1.476 70.356 68.868 0.021 0.000 0.942 29 T HN 0.297 8.537 8.240 0.000 0.000 0.439 30 V N 5.411 125.340 119.914 0.024 0.000 2.376 30 V HA 0.491 4.613 4.120 0.002 0.000 0.287 30 V C -0.429 175.671 176.094 0.008 0.000 1.015 30 V CA -0.719 61.581 62.300 0.000 0.000 0.834 30 V CB 1.088 32.898 31.823 -0.022 0.000 1.001 30 V HN 0.818 9.008 8.190 0.000 0.000 0.428 31 I N 4.772 125.341 120.570 -0.002 0.000 2.437 31 I HA 0.829 5.001 4.170 0.002 0.000 0.279 31 I C 0.633 176.751 176.117 0.001 0.000 1.028 31 I CA -0.120 61.182 61.300 0.003 0.000 1.142 31 I CB 1.367 39.367 38.000 0.000 0.000 1.266 31 I HN 0.825 9.035 8.210 0.000 0.000 0.461 32 G N 5.296 114.100 108.800 0.007 0.000 2.325 32 G HA2 -0.025 3.936 3.960 0.002 0.000 0.285 32 G HA3 -0.025 3.936 3.960 0.002 0.000 0.285 32 G C -1.848 173.057 174.900 0.008 0.000 1.303 32 G CA -0.882 44.222 45.100 0.008 0.000 0.970 32 G HN 0.420 8.710 8.290 0.000 0.000 0.490 33 N N 0.380 119.085 118.700 0.009 0.000 2.319 33 N HA 0.510 5.252 4.740 0.002 0.000 0.305 33 N C 0.193 175.708 175.510 0.008 0.000 1.103 33 N CA -0.241 52.815 53.050 0.009 0.000 0.815 33 N CB 1.376 39.870 38.487 0.011 0.000 1.288 33 N HN 0.794 9.174 8.380 0.000 0.000 0.493 34 N N -0.349 118.355 118.700 0.006 0.000 2.747 34 N HA -0.178 4.564 4.740 0.002 0.000 0.249 34 N C -1.114 174.399 175.510 0.006 0.000 1.107 34 N CA 0.493 53.547 53.050 0.007 0.000 0.707 34 N CB -0.893 37.599 38.487 0.009 0.000 1.054 34 N HN 0.526 8.906 8.380 0.000 0.000 0.555 35 N N 0.216 118.916 118.700 0.001 0.000 2.508 35 N HA 0.446 5.187 4.740 0.002 0.000 0.285 35 N C -0.573 174.934 175.510 -0.006 0.000 1.144 35 N CA -0.005 53.044 53.050 -0.002 0.000 0.978 35 N CB 1.435 39.916 38.487 -0.010 0.000 1.180 35 N HN 0.028 8.408 8.380 0.000 0.000 0.484 36 S N 0.379 116.083 115.700 0.006 0.000 2.571 36 S HA 0.463 4.935 4.470 0.002 0.000 0.284 36 S C -0.594 174.025 174.600 0.032 0.000 1.128 36 S CA -0.737 57.473 58.200 0.017 0.000 0.970 36 S CB 1.794 65.019 63.200 0.042 0.000 1.039 36 S HN 0.222 8.532 8.310 0.000 0.000 0.485 37 V N 3.665 123.585 119.914 0.010 0.000 2.487 37 V HA 0.494 4.616 4.120 0.002 0.000 0.298 37 V C -1.393 174.738 176.094 0.061 0.000 1.028 37 V CA -0.682 61.626 62.300 0.012 0.000 0.860 37 V CB 1.428 33.203 31.823 -0.080 0.000 0.991 37 V HN 0.897 9.087 8.190 0.000 0.000 0.427 38 Y N 5.849 126.122 120.300 -0.044 0.000 2.350 38 Y HA 0.755 5.306 4.550 0.002 0.000 0.338 38 Y C -0.738 175.036 175.900 -0.210 0.000 0.961 38 Y CA -0.792 57.248 58.100 -0.100 0.000 1.100 38 Y CB 1.491 39.924 38.460 -0.045 0.000 1.179 38 Y HN 0.562 8.842 8.280 0.000 0.000 0.454 39 I N 6.451 126.566 120.570 -0.758 0.000 2.436 39 I HA 0.498 4.670 4.170 0.002 0.000 0.289 39 I C 0.648 176.223 176.117 -0.902 0.000 1.010 39 I CA -0.761 60.139 61.300 -0.666 0.000 1.098 39 I CB 1.758 39.562 38.000 -0.326 0.000 1.266 39 I HN 0.844 9.054 8.210 0.000 0.000 0.434 40 G N 4.502 112.887 108.800 -0.691 0.000 2.494 40 G HA2 0.226 4.188 3.960 0.002 0.000 0.270 40 G HA3 0.226 4.188 3.960 0.002 0.000 0.270 40 G C -0.302 174.467 174.900 -0.217 0.000 1.423 40 G CA -0.608 44.241 45.100 -0.417 0.000 1.055 40 G HN 0.686 8.976 8.290 0.000 0.000 0.536 41 N N 0.474 119.120 118.700 -0.091 0.000 2.530 41 N HA 0.179 4.921 4.740 0.002 0.000 0.277 41 N C -0.037 175.447 175.510 -0.044 0.000 1.168 41 N CA -0.326 52.690 53.050 -0.057 0.000 0.979 41 N CB 0.490 38.968 38.487 -0.015 0.000 1.141 41 N HN 0.478 8.858 8.380 0.000 0.000 0.459 42 N N -0.762 117.915 118.700 -0.038 0.000 2.725 42 N HA -0.183 4.558 4.740 0.002 0.000 0.249 42 N C -1.001 174.493 175.510 -0.027 0.000 1.103 42 N CA 0.465 53.501 53.050 -0.024 0.000 0.707 42 N CB -1.788 36.693 38.487 -0.011 0.000 1.043 42 N HN 0.390 8.770 8.380 0.000 0.000 0.553 43 C N 0.855 120.128 119.300 -0.045 0.000 2.520 43 C HA 0.374 4.836 4.460 0.002 0.000 0.376 43 C C 1.110 176.083 174.990 -0.028 0.000 1.268 43 C CA -0.393 58.600 59.018 -0.041 0.000 2.414 43 C CB 0.901 28.600 27.740 -0.069 0.000 2.521 43 C HN 0.146 8.376 8.230 0.000 0.000 0.618 44 K N 2.292 122.682 120.400 -0.016 0.000 2.604 44 K HA 0.537 4.858 4.320 0.002 0.000 0.247 44 K C -1.344 175.256 176.600 -0.001 0.000 0.956 44 K CA 0.020 56.303 56.287 -0.007 0.000 0.896 44 K CB 1.057 33.558 32.500 0.002 0.000 1.131 44 K HN 0.546 8.796 8.250 0.000 0.000 0.440 45 I N 4.225 124.794 120.570 -0.002 0.000 2.428 45 I HA 0.193 4.364 4.170 0.002 0.000 0.279 45 I C -0.258 175.867 176.117 0.013 0.000 1.040 45 I CA -1.033 60.271 61.300 0.007 0.000 1.171 45 I CB 1.291 39.289 38.000 -0.003 0.000 1.312 45 I HN 0.239 8.449 8.210 0.000 0.000 0.470 46 V N 1.068 120.996 119.914 0.022 0.000 2.864 46 V HA 0.596 4.717 4.120 0.002 0.000 0.314 46 V C 0.626 176.735 176.094 0.026 0.000 1.073 46 V CA -0.574 61.738 62.300 0.021 0.000 0.956 46 V CB 1.732 33.566 31.823 0.019 0.000 1.023 46 V HN 0.755 8.945 8.190 0.000 0.000 0.435 47 S N 0.881 116.592 115.700 0.018 0.000 3.473 47 S HA -0.167 4.305 4.470 0.002 0.000 0.339 47 S C 0.576 175.187 174.600 0.018 0.000 1.148 47 S CA 1.176 59.385 58.200 0.015 0.000 0.969 47 S CB -1.859 61.349 63.200 0.014 0.000 0.936 47 S HN 1.228 9.538 8.310 0.000 0.000 0.530 48 S N 1.250 116.963 115.700 0.022 0.000 2.718 48 S HA 0.676 5.147 4.470 0.002 0.000 0.300 48 S C 0.049 174.661 174.600 0.020 0.000 1.117 48 S CA -0.815 57.401 58.200 0.026 0.000 1.002 48 S CB 1.236 64.459 63.200 0.037 0.000 1.092 48 S HN 0.422 8.732 8.310 0.000 0.000 0.542 49 N N 1.577 120.289 118.700 0.020 0.000 2.577 49 N HA 0.370 5.111 4.740 0.002 0.000 0.275 49 N C -1.763 173.757 175.510 0.017 0.000 1.091 49 N CA -0.241 52.819 53.050 0.015 0.000 0.843 49 N CB 0.363 38.855 38.487 0.008 0.000 1.295 49 N HN 0.535 8.915 8.380 0.000 0.000 0.530 50 I N 2.320 122.900 120.570 0.018 0.000 2.339 50 I HA 0.404 4.575 4.170 0.002 0.000 0.290 50 I C 0.440 176.558 176.117 0.002 0.000 0.994 50 I CA -0.704 60.604 61.300 0.013 0.000 1.191 50 I CB 1.537 39.547 38.000 0.017 0.000 1.343 50 I HN 0.181 8.391 8.210 0.000 0.000 0.458 51 R N 6.633 127.124 120.500 -0.015 0.000 2.409 51 R HA 0.562 4.904 4.340 0.002 0.000 0.313 51 R C -1.847 174.416 176.300 -0.062 0.000 0.953 51 R CA -0.784 55.295 56.100 -0.036 0.000 0.849 51 R CB 1.117 31.388 30.300 -0.049 0.000 1.171 51 R HN 0.469 8.739 8.270 0.000 0.000 0.458 52 L N 4.645 125.838 121.223 -0.051 0.000 2.277 52 L HA 0.392 4.733 4.340 0.002 0.000 0.284 52 L C -0.478 176.352 176.870 -0.067 0.000 1.028 52 L CA -0.280 54.524 54.840 -0.059 0.000 0.835 52 L CB 1.167 43.207 42.059 -0.032 0.000 1.215 52 L HN 0.402 8.632 8.230 0.000 0.000 0.425 53 K N 2.603 122.933 120.400 -0.116 0.000 2.521 53 K HA 0.829 5.150 4.320 0.002 0.000 0.248 53 K C -0.180 176.386 176.600 -0.056 0.000 0.978 53 K CA 0.050 56.281 56.287 -0.093 0.000 0.947 53 K CB 0.925 33.343 32.500 -0.136 0.000 1.165 53 K HN 0.665 8.915 8.250 0.000 0.000 0.445 54 G N 2.214 111.007 108.800 -0.013 0.000 2.339 54 G HA2 0.020 3.982 3.960 0.002 0.000 0.275 54 G HA3 0.020 3.982 3.960 0.002 0.000 0.275 54 G C -1.698 173.211 174.900 0.015 0.000 1.323 54 G CA -0.987 44.123 45.100 0.017 0.000 0.927 54 G HN 0.454 8.744 8.290 0.000 0.000 0.486 55 N N 0.493 119.206 118.700 0.023 0.000 2.319 55 N HA 0.494 5.235 4.740 0.002 0.000 0.305 55 N C 0.078 175.600 175.510 0.020 0.000 1.103 55 N CA -0.127 52.934 53.050 0.018 0.000 0.815 55 N CB 1.341 39.839 38.487 0.019 0.000 1.288 55 N HN 0.806 9.186 8.380 0.000 0.000 0.493 56 N N -0.672 118.037 118.700 0.016 0.000 2.754 56 N HA -0.178 4.564 4.740 0.002 0.000 0.248 56 N C -0.881 174.641 175.510 0.020 0.000 1.093 56 N CA 0.333 53.393 53.050 0.016 0.000 0.699 56 N CB -1.349 37.148 38.487 0.016 0.000 1.016 56 N HN 0.518 8.898 8.380 0.000 0.000 0.552 57 I N 0.557 121.139 120.570 0.019 0.000 2.440 57 I HA 0.285 4.456 4.170 0.002 0.000 0.294 57 I C 0.939 177.073 176.117 0.028 0.000 0.995 57 I CA -0.445 60.870 61.300 0.024 0.000 1.306 57 I CB 1.270 39.279 38.000 0.016 0.000 1.407 57 I HN 0.108 8.318 8.210 0.000 0.000 0.501 58 T N 4.348 118.925 114.554 0.040 0.000 2.824 58 T HA 0.646 4.997 4.350 0.002 0.000 0.282 58 T C -0.885 173.863 174.700 0.081 0.000 0.993 58 T CA -0.742 61.395 62.100 0.060 0.000 0.967 58 T CB 1.685 70.590 68.868 0.062 0.000 0.960 58 T HN 0.346 8.586 8.240 0.000 0.000 0.441 59 L N 3.988 125.270 121.223 0.097 0.000 2.349 59 L HA 0.802 5.143 4.340 0.002 0.000 0.278 59 L C -1.699 175.291 176.870 0.200 0.000 0.996 59 L CA -1.086 53.823 54.840 0.116 0.000 0.825 59 L CB 1.351 43.444 42.059 0.057 0.000 1.243 59 L HN 0.830 9.060 8.230 0.000 0.000 0.412 60 F N 6.510 126.507 119.950 0.078 0.000 2.499 60 F HA 0.686 5.215 4.527 0.002 0.000 0.333 60 F C -1.156 174.721 175.800 0.127 0.000 1.138 60 F CA -0.554 57.529 58.000 0.137 0.000 0.945 60 F CB 1.017 40.069 39.000 0.087 0.000 1.181 60 F HN 0.342 8.642 8.300 0.000 0.000 0.435 61 I N 6.371 126.766 120.570 -0.293 0.000 2.418 61 I HA 0.546 4.717 4.170 0.002 0.000 0.287 61 I C 0.246 176.121 176.117 -0.404 0.000 1.008 61 I CA -0.649 60.512 61.300 -0.232 0.000 1.104 61 I CB 1.564 39.486 38.000 -0.131 0.000 1.264 61 I HN 0.757 8.967 8.210 0.000 0.000 0.438 62 A N 5.091 127.777 122.820 -0.223 0.000 2.336 62 A HA 0.336 4.658 4.320 0.002 0.000 0.278 62 A C -0.208 177.348 177.584 -0.046 0.000 1.371 62 A CA -0.371 51.607 52.037 -0.098 0.000 0.842 62 A CB 0.205 19.294 19.000 0.148 0.000 1.363 62 A HN 0.627 8.777 8.150 0.000 0.000 0.517 63 D N 0.365 120.778 120.400 0.021 0.000 2.372 63 D HA 0.299 4.940 4.640 0.002 0.000 0.243 63 D C -0.332 175.972 176.300 0.006 0.000 1.121 63 D CA 0.728 54.732 54.000 0.006 0.000 0.898 63 D CB 0.414 41.235 40.800 0.034 0.000 1.202 63 D HN 0.442 8.812 8.370 0.000 0.000 0.428 64 D N -0.496 119.900 120.400 -0.006 0.000 3.068 64 D HA -0.149 4.492 4.640 0.002 0.000 0.218 64 D C -0.497 175.807 176.300 0.006 0.000 1.145 64 D CA 0.377 54.378 54.000 0.003 0.000 0.896 64 D CB -1.199 39.611 40.800 0.016 0.000 1.105 64 D HN 0.081 8.451 8.370 0.000 0.000 0.423 65 V N 0.873 120.784 119.914 -0.006 0.000 2.546 65 V HA 0.197 4.318 4.120 0.002 0.000 0.284 65 V C 0.717 176.809 176.094 -0.003 0.000 1.050 65 V CA 0.186 62.486 62.300 -0.001 0.000 0.981 65 V CB 1.675 33.492 31.823 -0.010 0.000 0.990 65 V HN -0.014 8.176 8.190 0.000 0.000 0.474 66 E N 5.410 125.613 120.200 0.006 0.000 2.191 66 E HA 0.614 4.965 4.350 0.002 0.000 0.263 66 E C -1.223 175.388 176.600 0.019 0.000 0.881 66 E CA -0.410 55.995 56.400 0.010 0.000 0.757 66 E CB 2.325 32.032 29.700 0.011 0.000 1.147 66 E HN 0.523 8.883 8.360 0.000 0.000 0.414 67 I N 3.046 123.633 120.570 0.029 0.000 2.498 67 I HA 0.410 4.581 4.170 0.002 0.000 0.290 67 I C -0.647 175.509 176.117 0.065 0.000 1.032 67 I CA -0.711 60.622 61.300 0.055 0.000 1.073 67 I CB 1.886 39.918 38.000 0.054 0.000 1.251 67 I HN 0.420 8.630 8.210 0.000 0.000 0.426 68 M N 5.459 125.117 119.600 0.096 0.000 2.067 68 M HA 0.497 4.978 4.480 0.002 0.000 0.286 68 M C 0.210 176.577 176.300 0.112 0.000 0.922 68 M CA 0.010 55.368 55.300 0.096 0.000 0.937 68 M CB 1.397 34.062 32.600 0.108 0.000 1.550 68 M HN 0.847 9.137 8.290 0.000 0.000 0.433 69 G N 3.583 112.426 108.800 0.071 0.000 2.171 69 G HA2 -0.214 3.747 3.960 0.002 0.000 0.238 69 G HA3 -0.214 3.747 3.960 0.002 0.000 0.238 69 G C -0.836 174.087 174.900 0.039 0.000 1.039 69 G CA 0.063 45.188 45.100 0.041 0.000 0.759 69 G HN 0.715 9.005 8.290 0.000 0.000 0.501 70 L N 0.620 121.889 121.223 0.076 0.000 2.367 70 L HA 0.666 5.007 4.340 0.002 0.000 0.275 70 L C 0.235 177.132 176.870 0.046 0.000 1.129 70 L CA -0.466 54.430 54.840 0.094 0.000 0.839 70 L CB 1.578 43.727 42.059 0.150 0.000 1.133 70 L HN 0.128 8.358 8.230 0.000 0.000 0.453 71 V N 5.775 125.703 119.914 0.023 0.000 2.334 71 V HA 0.355 4.477 4.120 0.002 0.000 0.281 71 V C -0.302 175.814 176.094 0.036 0.000 1.016 71 V CA -0.468 61.840 62.300 0.015 0.000 0.832 71 V CB 1.040 32.857 31.823 -0.010 0.000 0.999 71 V HN 0.952 9.142 8.190 0.000 0.000 0.439 72 C N 4.702 124.024 119.300 0.036 0.000 2.441 72 C HA 0.801 5.262 4.460 0.002 0.000 0.318 72 C C 0.066 175.066 174.990 0.016 0.000 1.222 72 C CA -0.224 58.821 59.018 0.044 0.000 1.474 72 C CB 1.186 28.959 27.740 0.054 0.000 2.125 72 C HN 0.856 9.086 8.230 0.000 0.000 0.479 73 S N 6.070 121.781 115.700 0.018 0.000 2.659 73 S HA 0.762 5.233 4.470 0.002 0.000 0.312 73 S C -1.181 173.405 174.600 -0.024 0.000 1.114 73 S CA -0.491 57.691 58.200 -0.031 0.000 1.063 73 S CB 0.352 63.548 63.200 -0.006 0.000 0.996 73 S HN 0.745 9.055 8.310 0.000 0.000 0.478 74 L N 4.922 126.086 121.223 -0.099 0.000 2.346 74 L HA 0.641 4.982 4.340 0.002 0.000 0.276 74 L C -0.401 176.368 176.870 -0.167 0.000 1.006 74 L CA -0.935 53.883 54.840 -0.037 0.000 0.817 74 L CB 1.698 43.756 42.059 -0.003 0.000 1.272 74 L HN 0.673 8.903 8.230 0.000 0.000 0.421 75 H N -0.387 118.689 119.070 0.010 0.000 2.713 75 H HA 0.396 4.954 4.556 0.002 0.000 0.340 75 H C -0.169 175.164 175.328 0.009 0.000 1.271 75 H CA -0.657 55.395 56.048 0.007 0.000 1.306 75 H CB 1.173 30.934 29.762 -0.000 0.000 1.839 75 H HN 0.492 8.772 8.280 0.000 0.000 0.627 76 S N 1.496 117.282 115.700 0.144 0.000 2.573 76 S HA -0.075 4.396 4.470 0.002 0.000 0.297 76 S C 0.014 174.652 174.600 0.063 0.000 1.280 76 S CA 0.717 58.963 58.200 0.076 0.000 1.061 76 S CB -0.282 62.955 63.200 0.062 0.000 0.812 76 S HN 0.772 9.082 8.310 0.000 0.000 0.500 77 D N -0.768 119.659 120.400 0.044 0.000 3.076 77 D HA -0.162 4.479 4.640 0.002 0.000 0.218 77 D C -0.113 176.209 176.300 0.038 0.000 1.156 77 D CA 0.708 54.729 54.000 0.035 0.000 0.921 77 D CB -1.833 38.984 40.800 0.030 0.000 1.113 77 D HN 0.481 8.851 8.370 0.000 0.000 0.418 78 C N 0.283 119.613 119.300 0.049 0.000 2.335 78 C HA 0.709 5.171 4.460 0.002 0.000 0.363 78 C C 0.918 175.934 174.990 0.045 0.000 1.198 78 C CA -0.299 58.750 59.018 0.051 0.000 2.279 78 C CB 1.836 29.620 27.740 0.073 0.000 2.334 78 C HN 0.362 8.592 8.230 0.000 0.000 0.559 79 S N 0.630 116.357 115.700 0.045 0.000 2.548 79 S HA 0.729 5.200 4.470 0.002 0.000 0.276 79 S C -1.645 172.989 174.600 0.056 0.000 1.129 79 S CA -0.428 57.800 58.200 0.048 0.000 0.931 79 S CB 1.121 64.341 63.200 0.034 0.000 1.068 79 S HN 0.636 8.946 8.310 0.000 0.000 0.480 80 L N 4.342 125.608 121.223 0.072 0.000 2.381 80 L HA 0.665 5.006 4.340 0.002 0.000 0.274 80 L C -0.786 176.158 176.870 0.123 0.000 0.988 80 L CA 0.025 54.914 54.840 0.081 0.000 0.824 80 L CB 1.749 43.852 42.059 0.074 0.000 1.263 80 L HN 0.834 9.064 8.230 0.000 0.000 0.410 81 Q N 5.313 125.187 119.800 0.123 0.000 2.321 81 Q HA 0.646 4.988 4.340 0.002 0.000 0.270 81 Q C -1.823 174.280 176.000 0.171 0.000 1.032 81 Q CA -0.561 55.361 55.803 0.198 0.000 0.784 81 Q CB 1.718 30.527 28.738 0.118 0.000 1.264 81 Q HN 0.782 9.052 8.270 0.000 0.000 0.448 82 I N 3.656 124.354 120.570 0.214 0.000 2.418 82 I HA 0.297 4.468 4.170 0.002 0.000 0.287 82 I C -0.068 176.155 176.117 0.177 0.000 1.008 82 I CA -0.810 60.573 61.300 0.139 0.000 1.104 82 I CB 1.792 39.836 38.000 0.073 0.000 1.264 82 I HN 0.532 8.742 8.210 0.000 0.000 0.438 83 Q N 3.397 123.290 119.800 0.155 0.000 2.171 83 Q HA 0.599 4.940 4.340 0.002 0.000 0.217 83 Q C 0.031 176.103 176.000 0.120 0.000 0.995 83 Q CA -0.756 55.151 55.803 0.173 0.000 0.979 83 Q CB 1.552 30.379 28.738 0.149 0.000 1.152 83 Q HN 0.736 9.006 8.270 0.000 0.000 0.525 84 A N 0.653 123.543 122.820 0.116 0.000 2.498 84 A HA 0.114 4.435 4.320 0.002 0.000 0.239 84 A C 0.267 177.895 177.584 0.073 0.000 1.068 84 A CA 0.396 52.483 52.037 0.083 0.000 0.766 84 A CB -0.067 18.981 19.000 0.079 0.000 1.003 84 A HN 0.778 8.928 8.150 0.000 0.000 0.497 85 K N -0.580 119.854 120.400 0.056 0.000 3.512 85 K HA -0.130 4.191 4.320 0.002 0.000 0.309 85 K C 0.133 176.773 176.600 0.066 0.000 1.350 85 K CA 1.256 57.576 56.287 0.056 0.000 0.960 85 K CB -2.236 30.301 32.500 0.061 0.000 1.290 85 K HN 0.763 9.013 8.250 0.000 0.000 0.454 86 T N 1.938 116.529 114.554 0.062 0.000 2.919 86 T HA 0.233 4.584 4.350 0.002 0.000 0.302 86 T C 0.441 175.155 174.700 0.024 0.000 1.031 86 T CA 0.461 62.593 62.100 0.053 0.000 1.127 86 T CB 0.982 69.876 68.868 0.043 0.000 0.952 86 T HN 0.298 8.538 8.240 0.000 0.000 0.540 87 T N 1.228 115.788 114.554 0.009 0.000 2.863 87 T HA 0.784 5.136 4.350 0.002 0.000 0.285 87 T C -0.627 174.049 174.700 -0.040 0.000 1.009 87 T CA -1.052 61.041 62.100 -0.010 0.000 0.989 87 T CB 1.130 69.989 68.868 -0.014 0.000 1.004 87 T HN 0.476 8.716 8.240 0.000 0.000 0.455 88 M N 2.030 121.621 119.600 -0.014 0.000 2.324 88 M HA 0.557 5.039 4.480 0.002 0.000 0.288 88 M C 0.563 176.936 176.300 0.121 0.000 1.097 88 M CA -0.749 54.560 55.300 0.015 0.000 0.928 88 M CB 2.572 35.160 32.600 -0.022 0.000 1.648 88 M HN 0.982 9.272 8.290 0.000 0.000 0.460 89 G N 1.609 110.509 108.800 0.167 0.000 2.582 89 G HA2 0.322 4.283 3.960 0.002 0.000 0.232 89 G HA3 0.322 4.283 3.960 0.002 0.000 0.232 89 G C -0.380 174.732 174.900 0.354 0.000 1.458 89 G CA -0.772 44.426 45.100 0.164 0.000 1.062 89 G HN 0.802 9.092 8.290 0.000 0.000 0.566 90 N N -0.156 118.814 118.700 0.449 0.000 2.492 90 N HA 0.442 5.183 4.740 0.002 0.000 0.262 90 N C 0.250 175.547 175.510 -0.356 0.000 1.202 90 N CA 0.620 53.715 53.050 0.076 0.000 0.926 90 N CB 0.781 39.254 38.487 -0.024 0.000 1.078 90 N HN 0.766 9.146 8.380 0.000 0.000 0.454 91 G N 0.552 109.006 108.800 -0.577 0.000 2.340 91 G HA2 0.192 4.153 3.960 0.002 0.000 0.299 91 G HA3 0.192 4.153 3.960 0.002 0.000 0.299 91 G C -1.938 172.669 174.900 -0.489 0.000 1.291 91 G CA -0.607 43.814 45.100 -1.133 0.000 0.841 91 G HN 0.508 8.798 8.290 0.000 0.000 0.500 92 E N -0.635 119.378 120.200 -0.311 0.000 2.256 92 E HA 0.646 4.998 4.350 0.002 0.000 0.268 92 E C -1.246 175.433 176.600 0.131 0.000 0.877 92 E CA -0.704 55.680 56.400 -0.026 0.000 0.757 92 E CB 2.012 31.684 29.700 -0.047 0.000 1.183 92 E HN 0.415 8.775 8.360 0.000 0.000 0.418 93 I N 2.831 123.481 120.570 0.134 0.000 2.498 93 I HA 0.345 4.517 4.170 0.002 0.000 0.290 93 I C -0.811 175.358 176.117 0.086 0.000 1.032 93 I CA -0.573 60.803 61.300 0.127 0.000 1.073 93 I CB 2.403 40.484 38.000 0.134 0.000 1.251 93 I HN 0.411 8.621 8.210 0.000 0.000 0.426 94 T N 6.926 121.526 114.554 0.078 0.000 2.879 94 T HA 0.641 4.993 4.350 0.002 0.000 0.290 94 T C -0.463 174.288 174.700 0.084 0.000 0.993 94 T CA -0.370 61.781 62.100 0.085 0.000 0.975 94 T CB 1.397 70.310 68.868 0.075 0.000 0.981 94 T HN 0.274 8.514 8.240 0.000 0.000 0.439 95 I N 2.402 123.043 120.570 0.120 0.000 2.499 95 I HA 0.802 4.974 4.170 0.002 0.000 0.288 95 I C 0.027 176.238 176.117 0.156 0.000 1.048 95 I CA -0.931 60.430 61.300 0.102 0.000 1.062 95 I CB 1.736 39.787 38.000 0.085 0.000 1.238 95 I HN 0.757 8.967 8.210 0.000 0.000 0.426 96 A N 3.812 126.661 122.820 0.049 0.000 2.566 96 A HA 0.702 5.023 4.320 0.002 0.000 0.291 96 A C -0.119 177.450 177.584 -0.025 0.000 1.278 96 A CA -0.479 51.538 52.037 -0.032 0.000 0.711 96 A CB 0.975 19.816 19.000 -0.265 0.000 1.332 96 A HN 0.779 8.929 8.150 0.000 0.000 0.478 97 E N -0.077 120.090 120.200 -0.054 0.000 2.586 97 E HA -0.223 4.128 4.350 0.002 0.000 0.259 97 E C -0.634 175.976 176.600 0.016 0.000 1.107 97 E CA 0.806 57.197 56.400 -0.016 0.000 0.754 97 E CB -1.667 28.029 29.700 -0.007 0.000 1.335 97 E HN 0.632 8.992 8.360 0.000 0.000 0.411 98 K N -2.639 117.776 120.400 0.025 0.000 3.071 98 K HA -0.224 4.098 4.320 0.002 0.000 0.265 98 K C 0.461 177.078 176.600 0.028 0.000 1.060 98 K CA 0.833 57.139 56.287 0.032 0.000 0.767 98 K CB -1.712 30.804 32.500 0.026 0.000 1.241 98 K HN 0.451 8.701 8.250 0.000 0.000 0.486 99 G N 1.018 109.836 108.800 0.031 0.000 2.642 99 G HA2 0.638 4.600 3.960 0.002 0.000 0.291 99 G HA3 0.638 4.600 3.960 0.002 0.000 0.291 99 G C -0.603 174.316 174.900 0.032 0.000 1.345 99 G CA -0.660 44.456 45.100 0.028 0.000 1.043 99 G HN 0.183 8.473 8.290 0.000 0.000 0.528 100 K N -1.414 119.003 120.400 0.029 0.000 2.532 100 K HA 0.685 5.007 4.320 0.002 0.000 0.265 100 K C -1.649 174.969 176.600 0.031 0.000 0.948 100 K CA -0.857 55.448 56.287 0.030 0.000 0.842 100 K CB 2.367 34.880 32.500 0.022 0.000 1.392 100 K HN 0.354 8.604 8.250 0.000 0.000 0.436 101 I N 1.770 122.362 120.570 0.037 0.000 2.498 101 I HA 0.288 4.460 4.170 0.002 0.000 0.290 101 I C -0.808 175.332 176.117 0.039 0.000 1.032 101 I CA -0.780 60.542 61.300 0.036 0.000 1.073 101 I CB 2.398 40.422 38.000 0.040 0.000 1.251 101 I HN 0.906 9.116 8.210 0.000 0.000 0.426 102 S N 6.646 122.367 115.700 0.035 0.000 2.521 102 S HA 0.764 5.236 4.470 0.002 0.000 0.295 102 S C -0.924 173.701 174.600 0.040 0.000 1.098 102 S CA -0.728 57.497 58.200 0.042 0.000 0.999 102 S CB 2.007 65.227 63.200 0.033 0.000 1.034 102 S HN 0.476 8.786 8.310 0.000 0.000 0.483 103 I N 2.593 123.192 120.570 0.049 0.000 2.418 103 I HA 0.495 4.666 4.170 0.002 0.000 0.287 103 I C 1.035 177.192 176.117 0.066 0.000 1.008 103 I CA -0.823 60.501 61.300 0.040 0.000 1.104 103 I CB 1.819 39.826 38.000 0.012 0.000 1.264 103 I HN 0.942 9.152 8.210 0.000 0.000 0.438 104 G N 5.345 114.191 108.800 0.076 0.000 2.570 104 G HA2 0.243 4.204 3.960 0.002 0.000 0.276 104 G HA3 0.243 4.204 3.960 0.002 0.000 0.276 104 G C -0.186 174.781 174.900 0.112 0.000 1.346 104 G CA -0.563 44.595 45.100 0.096 0.000 1.034 104 G HN 0.534 8.824 8.290 0.000 0.000 0.512 105 K N -0.267 120.207 120.400 0.123 0.000 2.270 105 K HA 0.180 4.502 4.320 0.002 0.000 0.276 105 K C -0.063 176.640 176.600 0.171 0.000 1.023 105 K CA 0.235 56.598 56.287 0.126 0.000 0.955 105 K CB 0.726 33.289 32.500 0.104 0.000 0.975 105 K HN 0.568 8.818 8.250 0.000 0.000 0.471 106 D N 0.883 121.380 120.400 0.160 0.000 2.723 106 D HA -0.179 4.463 4.640 0.002 0.000 0.236 106 D C -0.892 175.586 176.300 0.296 0.000 1.138 106 D CA 0.365 54.493 54.000 0.214 0.000 0.676 106 D CB -1.160 39.782 40.800 0.236 0.000 1.069 106 D HN 0.414 8.784 8.370 0.000 0.000 0.430 107 C N 0.323 119.748 119.300 0.209 0.000 2.500 107 C HA 0.698 5.159 4.460 0.002 0.000 0.367 107 C C 0.916 175.966 174.990 0.100 0.000 1.283 107 C CA -0.640 58.488 59.018 0.184 0.000 2.456 107 C CB 0.975 28.765 27.740 0.084 0.000 2.457 107 C HN 0.587 8.817 8.230 0.000 0.000 0.632 108 M N 2.408 121.989 119.600 -0.032 0.000 2.122 108 M HA 0.479 4.960 4.480 0.002 0.000 0.269 108 M C -1.961 174.253 176.300 -0.144 0.000 0.954 108 M CA -0.352 54.852 55.300 -0.161 0.000 0.998 108 M CB 0.493 32.849 32.600 -0.407 0.000 1.755 108 M HN 0.460 8.750 8.290 0.000 0.000 0.459 109 L N 4.385 125.536 121.223 -0.120 0.000 2.277 109 L HA 0.692 5.034 4.340 0.002 0.000 0.284 109 L C 0.260 177.141 176.870 0.018 0.000 1.028 109 L CA 0.045 54.820 54.840 -0.109 0.000 0.835 109 L CB 1.315 43.133 42.059 -0.401 0.000 1.215 109 L HN 0.767 8.997 8.230 0.000 0.000 0.425 110 A N 2.681 125.546 122.820 0.075 0.000 2.313 110 A HA 0.363 4.685 4.320 0.002 0.000 0.261 110 A C 0.102 177.756 177.584 0.117 0.000 1.090 110 A CA -0.431 51.625 52.037 0.031 0.000 0.807 110 A CB 0.037 19.084 19.000 0.078 0.000 1.055 110 A HN 0.635 8.785 8.150 0.000 0.000 0.492 111 H N -0.449 118.675 119.070 0.090 0.000 3.038 111 H HA 0.214 4.771 4.556 0.002 0.000 0.338 111 H C 1.507 176.806 175.328 -0.049 0.000 1.041 111 H CA 1.757 57.812 56.048 0.011 0.000 1.394 111 H CB 0.267 30.021 29.762 -0.013 0.000 1.357 111 H HN 1.372 9.652 8.280 0.000 0.000 0.600 112 G N 2.375 111.152 108.800 -0.038 0.000 2.141 112 G HA2 -0.246 3.715 3.960 0.002 0.000 0.231 112 G HA3 -0.246 3.715 3.960 0.002 0.000 0.231 112 G C 0.050 174.865 174.900 -0.141 0.000 0.984 112 G CA 0.194 45.221 45.100 -0.122 0.000 0.660 112 G HN 0.802 9.092 8.290 0.000 0.000 0.525 113 Y N 0.031 120.323 120.300 -0.013 0.000 2.480 113 Y HA 0.684 5.235 4.550 0.002 0.000 0.338 113 Y C 0.382 176.271 175.900 -0.019 0.000 1.220 113 Y CA -0.604 57.480 58.100 -0.028 0.000 1.430 113 Y CB 0.891 39.337 38.460 -0.022 0.000 1.311 113 Y HN 0.261 8.541 8.280 0.000 0.000 0.575 114 E N 4.237 124.508 120.200 0.119 0.000 2.265 114 E HA 0.510 4.861 4.350 0.002 0.000 0.262 114 E C -1.882 174.778 176.600 0.099 0.000 0.889 114 E CA -0.637 55.806 56.400 0.073 0.000 0.789 114 E CB 1.044 30.745 29.700 0.002 0.000 1.221 114 E HN 0.839 9.199 8.360 0.000 0.000 0.414 115 I N 4.902 125.548 120.570 0.127 0.000 2.466 115 I HA 0.523 4.694 4.170 0.002 0.000 0.289 115 I C -0.533 175.617 176.117 0.056 0.000 1.026 115 I CA -0.828 60.520 61.300 0.080 0.000 1.078 115 I CB 1.754 39.806 38.000 0.087 0.000 1.249 115 I HN 0.478 8.688 8.210 0.000 0.000 0.429 116 R N 3.656 124.172 120.500 0.025 0.000 2.604 116 R HA 0.390 4.731 4.340 0.002 0.000 0.270 116 R C -0.638 175.668 176.300 0.009 0.000 1.052 116 R CA -0.883 55.229 56.100 0.020 0.000 0.902 116 R CB 1.018 31.324 30.300 0.009 0.000 1.233 116 R HN 0.594 8.864 8.270 0.000 0.000 0.455 117 N N 0.916 119.625 118.700 0.015 0.000 2.268 117 N HA 0.006 4.747 4.740 0.002 0.000 0.204 117 N C -0.830 174.680 175.510 0.001 0.000 1.124 117 N CA -0.069 52.989 53.050 0.012 0.000 0.838 117 N CB 1.081 39.581 38.487 0.021 0.000 0.994 117 N HN 0.626 9.006 8.380 0.000 0.000 0.489 118 T N -0.985 113.561 114.554 -0.013 0.000 2.932 118 T HA 0.230 4.581 4.350 0.002 0.000 0.318 118 T C -0.872 173.804 174.700 -0.040 0.000 1.265 118 T CA -0.495 61.583 62.100 -0.037 0.000 1.036 118 T CB 1.462 70.291 68.868 -0.066 0.000 1.209 118 T HN -0.169 8.071 8.240 0.000 0.000 0.484 119 D N 2.931 123.303 120.400 -0.047 0.000 2.333 119 D HA 0.094 4.735 4.640 0.002 0.000 0.208 119 D C 1.364 177.636 176.300 -0.047 0.000 0.984 119 D CA 0.351 54.337 54.000 -0.024 0.000 0.873 119 D CB 0.155 40.948 40.800 -0.011 0.000 0.935 119 D HN 0.547 8.917 8.370 0.000 0.000 0.521 120 M N -0.454 119.048 119.600 -0.163 0.000 2.949 120 M HA -0.211 4.270 4.480 0.002 0.000 0.194 120 M C -0.605 175.224 176.300 -0.785 0.000 0.618 120 M CA 1.315 56.373 55.300 -0.403 0.000 0.742 120 M CB -1.715 30.673 32.600 -0.353 0.000 2.662 120 M HN 0.236 8.526 8.290 0.000 0.000 0.291 121 H N -1.308 117.710 119.070 -0.086 0.000 3.046 121 H HA 0.549 5.106 4.556 0.002 0.000 0.361 121 H C -2.477 172.758 175.328 -0.155 0.000 1.235 121 H CA -1.190 54.801 56.048 -0.096 0.000 1.146 121 H CB 1.999 31.724 29.762 -0.063 0.000 1.859 121 H HN -0.037 8.243 8.280 0.000 0.000 0.548 122 P HA 0.374 4.794 4.420 0.000 0.000 0.282 122 P C -0.353 176.686 177.300 -0.435 0.000 1.249 122 P CA -0.336 62.541 63.100 -0.371 0.000 0.806 122 P CB 1.445 32.810 31.700 -0.558 0.000 0.984 123 I N 2.870 123.160 120.570 -0.466 0.000 2.433 123 I HA 0.343 4.514 4.170 0.002 0.000 0.292 123 I C -0.418 175.441 176.117 -0.430 0.000 1.001 123 I CA -0.943 60.149 61.300 -0.347 0.000 1.119 123 I CB 1.298 39.213 38.000 -0.142 0.000 1.289 123 I HN 0.278 8.488 8.210 0.000 0.000 0.438 124 Y N 3.051 123.346 120.300 -0.008 0.000 2.468 124 Y HA 0.393 4.944 4.550 0.002 0.000 0.342 124 Y C 0.546 176.447 175.900 0.002 0.000 1.021 124 Y CA -0.887 57.211 58.100 -0.004 0.000 1.079 124 Y CB 1.866 40.325 38.460 -0.003 0.000 1.226 124 Y HN 0.435 8.715 8.280 0.000 0.000 0.460 125 S N 2.373 118.175 115.700 0.171 0.000 2.523 125 S HA 0.235 4.707 4.470 0.002 0.000 0.275 125 S C 0.871 175.522 174.600 0.086 0.000 1.281 125 S CA -0.558 57.700 58.200 0.098 0.000 1.050 125 S CB 0.228 63.470 63.200 0.070 0.000 0.937 125 S HN 0.785 9.095 8.310 0.000 0.000 0.492 126 L N 4.187 125.445 121.223 0.059 0.000 2.362 126 L HA -0.035 4.307 4.340 0.002 0.000 0.219 126 L C 2.277 179.161 176.870 0.024 0.000 1.134 126 L CA 0.956 55.818 54.840 0.037 0.000 0.807 126 L CB -0.367 41.708 42.059 0.027 0.000 0.927 126 L HN 0.733 8.963 8.230 0.000 0.000 0.447 127 E N 0.785 121.002 120.200 0.027 0.000 2.150 127 E HA -0.180 4.171 4.350 0.002 0.000 0.193 127 E C 1.003 177.615 176.600 0.019 0.000 0.985 127 E CA 1.404 57.816 56.400 0.020 0.000 0.814 127 E CB 0.079 29.791 29.700 0.020 0.000 0.752 127 E HN 0.651 9.011 8.360 0.000 0.000 0.466 128 N N -2.700 116.016 118.700 0.027 0.000 1.986 128 N HA 0.080 4.821 4.740 0.002 0.000 0.227 128 N C 0.935 176.457 175.510 0.020 0.000 1.387 128 N CA 0.547 53.610 53.050 0.022 0.000 0.810 128 N CB 0.574 39.078 38.487 0.029 0.000 1.140 128 N HN 0.104 8.484 8.380 0.000 0.000 0.504 129 G N -0.040 108.775 108.800 0.025 0.000 2.184 129 G HA2 -0.287 3.674 3.960 0.002 0.000 0.264 129 G HA3 -0.287 3.674 3.960 0.002 0.000 0.264 129 G C -0.457 174.482 174.900 0.065 0.000 0.975 129 G CA 0.469 45.567 45.100 -0.004 0.000 0.642 129 G HN 0.392 8.682 8.290 0.000 0.000 0.536 130 E N 0.295 120.572 120.200 0.127 0.000 2.313 130 E HA 0.332 4.683 4.350 0.002 0.000 0.272 130 E C 0.695 177.462 176.600 0.279 0.000 1.038 130 E CA -0.763 55.749 56.400 0.187 0.000 0.863 130 E CB 1.052 30.827 29.700 0.125 0.000 1.060 130 E HN 0.453 8.813 8.360 0.000 0.000 0.402 131 R N 2.615 123.294 120.500 0.299 0.000 2.401 131 R HA 0.070 4.412 4.340 0.002 0.000 0.299 131 R C 1.116 177.449 176.300 0.054 0.000 1.064 131 R CA 0.102 56.239 56.100 0.062 0.000 1.000 131 R CB 0.074 30.286 30.300 -0.146 0.000 0.973 131 R HN 0.622 8.892 8.270 0.000 0.000 0.438 132 I N 1.164 121.722 120.570 -0.020 0.000 4.018 132 I HA 0.187 4.359 4.170 0.002 0.000 0.337 132 I C 0.125 176.249 176.117 0.011 0.000 1.327 132 I CA -0.350 60.967 61.300 0.030 0.000 1.100 132 I CB 0.238 38.251 38.000 0.022 0.000 1.025 132 I HN 0.458 8.668 8.210 0.000 0.000 0.396 133 N N 0.521 119.177 118.700 -0.073 0.000 2.541 133 N HA 0.103 4.844 4.740 0.002 0.000 0.297 133 N C -0.369 175.095 175.510 -0.077 0.000 1.503 133 N CA -0.446 52.570 53.050 -0.056 0.000 0.919 133 N CB -0.517 37.925 38.487 -0.075 0.000 1.305 133 N HN 0.281 8.661 8.380 0.000 0.000 0.501 134 H N 0.349 119.396 119.070 -0.037 0.000 2.948 134 H HA 0.105 4.663 4.556 0.003 0.000 0.351 134 H C 1.099 176.413 175.328 -0.024 0.000 1.079 134 H CA 0.933 56.962 56.048 -0.032 0.000 1.407 134 H CB 0.821 30.573 29.762 -0.018 0.000 1.373 134 H HN 0.403 8.683 8.280 0.000 0.000 0.605 135 G N 2.072 110.926 108.800 0.089 0.000 2.484 135 G HA2 0.149 4.110 3.960 0.002 0.000 0.235 135 G HA3 0.149 4.110 3.960 0.002 0.000 0.235 135 G C -0.363 174.571 174.900 0.057 0.000 1.282 135 G CA -0.202 44.926 45.100 0.047 0.000 0.857 135 G HN 0.518 8.808 8.290 0.000 0.000 0.571 136 K N 1.086 121.508 120.400 0.037 0.000 2.501 136 K HA 0.196 4.517 4.320 0.002 0.000 0.252 136 K C -1.318 175.297 176.600 0.025 0.000 0.934 136 K CA -0.965 55.340 56.287 0.032 0.000 0.797 136 K CB 2.173 34.693 32.500 0.033 0.000 1.270 136 K HN 0.403 8.653 8.250 0.000 0.000 0.431 137 D N 1.326 121.739 120.400 0.022 0.000 2.400 137 D HA 0.078 4.719 4.640 0.002 0.000 0.238 137 D C -0.324 175.991 176.300 0.025 0.000 1.157 137 D CA 0.113 54.126 54.000 0.022 0.000 0.889 137 D CB 0.883 41.695 40.800 0.019 0.000 1.199 137 D HN 0.002 8.372 8.370 0.000 0.000 0.436 138 V N 2.670 122.600 119.914 0.026 0.000 2.459 138 V HA 0.425 4.546 4.120 0.002 0.000 0.295 138 V C 0.271 176.383 176.094 0.030 0.000 1.029 138 V CA -0.688 61.629 62.300 0.028 0.000 0.874 138 V CB 1.470 33.309 31.823 0.025 0.000 0.985 138 V HN 0.328 8.518 8.190 0.000 0.000 0.438 139 I N 5.745 126.336 120.570 0.035 0.000 2.439 139 I HA 0.474 4.646 4.170 0.002 0.000 0.283 139 I C -0.681 175.463 176.117 0.045 0.000 1.023 139 I CA -0.246 61.076 61.300 0.038 0.000 1.100 139 I CB 1.734 39.757 38.000 0.038 0.000 1.238 139 I HN 0.405 8.615 8.210 0.000 0.000 0.445 140 I N 5.378 125.972 120.570 0.040 0.000 2.321 140 I HA 0.370 4.541 4.170 0.002 0.000 0.291 140 I C 1.105 177.259 176.117 0.061 0.000 0.998 140 I CA -0.263 61.063 61.300 0.043 0.000 1.227 140 I CB 1.484 39.496 38.000 0.020 0.000 1.368 140 I HN 0.628 8.838 8.210 0.000 0.000 0.466 141 G N 5.447 114.294 108.800 0.078 0.000 2.611 141 G HA2 0.085 4.047 3.960 0.002 0.000 0.273 141 G HA3 0.085 4.047 3.960 0.002 0.000 0.273 141 G C 0.064 175.042 174.900 0.129 0.000 1.305 141 G CA -0.563 44.596 45.100 0.098 0.000 1.010 141 G HN 0.605 8.895 8.290 0.000 0.000 0.509 142 N N -0.447 118.347 118.700 0.158 0.000 2.518 142 N HA 0.127 4.868 4.740 0.002 0.000 0.266 142 N C 0.282 175.983 175.510 0.318 0.000 1.196 142 N CA 0.119 53.297 53.050 0.214 0.000 0.947 142 N CB 0.490 39.099 38.487 0.202 0.000 1.098 142 N HN 0.732 9.112 8.380 0.000 0.000 0.450 143 H N -1.188 118.015 119.070 0.222 0.000 2.748 143 H HA -0.149 4.408 4.556 0.002 0.000 0.322 143 H C -1.378 174.259 175.328 0.514 0.000 1.208 143 H CA 0.187 56.404 56.048 0.280 0.000 1.151 143 H CB -1.297 28.457 29.762 -0.013 0.000 1.505 143 H HN 0.182 8.462 8.280 0.000 0.000 0.429 144 V N 1.612 121.743 119.914 0.361 0.000 2.435 144 V HA 0.226 4.348 4.120 0.002 0.000 0.290 144 V C 0.011 176.107 176.094 0.003 0.000 1.030 144 V CA -0.302 62.120 62.300 0.202 0.000 0.881 144 V CB 1.339 33.213 31.823 0.084 0.000 0.983 144 V HN 0.534 8.724 8.190 0.000 0.000 0.445 145 W N 7.054 127.981 121.300 -0.622 0.000 2.318 145 W HA 0.637 5.298 4.660 0.002 0.000 0.315 145 W C -1.615 174.586 176.519 -0.530 0.000 1.033 145 W CA -1.785 54.995 57.345 -0.943 0.000 1.275 145 W CB 1.114 29.458 29.460 -1.860 0.000 1.250 145 W HN 0.306 8.486 8.180 0.000 0.000 0.421 146 L N 6.867 128.052 121.223 -0.063 0.000 2.260 146 L HA 0.503 4.844 4.340 0.002 0.000 0.289 146 L C 1.244 178.039 176.870 -0.125 0.000 1.057 146 L CA -0.258 54.491 54.840 -0.153 0.000 0.811 146 L CB 0.429 42.440 42.059 -0.080 0.000 1.184 146 L HN 0.620 8.850 8.230 0.000 0.000 0.429 147 G N 3.829 112.400 108.800 -0.381 0.000 2.647 147 G HA2 0.136 4.098 3.960 0.002 0.000 0.271 147 G HA3 0.136 4.098 3.960 0.002 0.000 0.271 147 G C 0.184 175.021 174.900 -0.105 0.000 1.300 147 G CA -0.676 44.268 45.100 -0.260 0.000 0.997 147 G HN 0.559 8.849 8.290 0.000 0.000 0.533 148 R N 0.338 120.787 120.500 -0.085 0.000 2.623 148 R HA 0.019 4.361 4.340 0.002 0.000 0.271 148 R C 0.129 176.278 176.300 -0.252 0.000 1.043 148 R CA 0.173 56.213 56.100 -0.101 0.000 1.083 148 R CB 0.109 30.363 30.300 -0.075 0.000 0.974 148 R HN 0.671 8.941 8.270 0.000 0.000 0.436 149 N N -0.322 118.255 118.700 -0.205 0.000 2.738 149 N HA -0.164 4.577 4.740 0.002 0.000 0.249 149 N C -1.013 174.374 175.510 -0.206 0.000 1.047 149 N CA 0.590 53.478 53.050 -0.271 0.000 0.707 149 N CB -1.085 37.051 38.487 -0.586 0.000 0.937 149 N HN 0.180 8.560 8.380 0.000 0.000 0.545 150 V N 0.630 120.486 119.914 -0.095 0.000 2.539 150 V HA 0.411 4.532 4.120 0.002 0.000 0.292 150 V C 0.829 176.916 176.094 -0.012 0.000 1.045 150 V CA -0.074 62.191 62.300 -0.059 0.000 0.945 150 V CB 2.106 33.890 31.823 -0.065 0.000 0.993 150 V HN 0.221 8.411 8.190 0.000 0.000 0.464 151 T N 5.977 120.516 114.554 -0.026 0.000 2.812 151 T HA 0.580 4.931 4.350 0.002 0.000 0.282 151 T C -0.635 174.035 174.700 -0.049 0.000 0.990 151 T CA -0.266 61.815 62.100 -0.031 0.000 0.960 151 T CB 0.852 69.687 68.868 -0.055 0.000 0.948 151 T HN 0.276 8.516 8.240 0.000 0.000 0.438 152 I N 4.728 125.278 120.570 -0.033 0.000 2.382 152 I HA 0.423 4.595 4.170 0.002 0.000 0.286 152 I C -0.003 176.081 176.117 -0.056 0.000 1.002 152 I CA -0.602 60.677 61.300 -0.035 0.000 1.135 152 I CB 1.128 39.126 38.000 -0.003 0.000 1.288 152 I HN 0.485 8.695 8.210 0.000 0.000 0.448 153 L N 5.029 126.189 121.223 -0.104 0.000 2.397 153 L HA 0.486 4.827 4.340 0.002 0.000 0.266 153 L C 0.785 177.629 176.870 -0.043 0.000 1.040 153 L CA -1.169 53.599 54.840 -0.119 0.000 0.800 153 L CB 0.838 42.728 42.059 -0.281 0.000 1.324 153 L HN 0.542 8.772 8.230 0.000 0.000 0.469 154 K N 0.007 120.394 120.400 -0.022 0.000 2.485 154 K HA 0.200 4.521 4.320 0.002 0.000 0.277 154 K C 0.713 177.329 176.600 0.026 0.000 0.990 154 K CA 0.396 56.688 56.287 0.009 0.000 0.994 154 K CB 0.153 32.663 32.500 0.017 0.000 0.906 154 K HN 0.786 9.036 8.250 0.000 0.000 0.488 155 G N 0.981 109.797 108.800 0.027 0.000 2.179 155 G HA2 -0.260 3.702 3.960 0.002 0.000 0.260 155 G HA3 -0.260 3.702 3.960 0.002 0.000 0.260 155 G C 0.030 174.951 174.900 0.035 0.000 0.977 155 G CA 0.083 45.202 45.100 0.031 0.000 0.641 155 G HN 0.526 8.816 8.290 0.000 0.000 0.533 156 V N 0.921 120.858 119.914 0.039 0.000 2.555 156 V HA 0.461 4.583 4.120 0.002 0.000 0.286 156 V C 0.952 177.083 176.094 0.061 0.000 1.044 156 V CA 0.010 62.344 62.300 0.057 0.000 1.026 156 V CB 1.279 33.140 31.823 0.064 0.000 0.981 156 V HN 0.647 8.837 8.190 0.000 0.000 0.480 157 C N 7.716 127.062 119.300 0.076 0.000 2.345 157 C HA 0.664 5.125 4.460 0.002 0.000 0.323 157 C C -0.276 174.788 174.990 0.123 0.000 1.276 157 C CA -0.701 58.365 59.018 0.080 0.000 1.543 157 C CB -0.634 27.145 27.740 0.064 0.000 2.211 157 C HN 0.806 9.036 8.230 0.000 0.000 0.493 158 I N 7.982 128.614 120.570 0.104 0.000 2.378 158 I HA 0.379 4.551 4.170 0.002 0.000 0.291 158 I C -1.989 174.185 176.117 0.095 0.000 0.992 158 I CA -1.847 59.518 61.300 0.108 0.000 1.154 158 I CB 1.754 39.789 38.000 0.058 0.000 1.315 158 I HN 0.442 8.652 8.210 0.000 0.000 0.448 159 P HA 0.082 4.502 4.420 0.000 0.000 0.273 159 P C -0.860 176.499 177.300 0.099 0.000 1.250 159 P CA -0.438 62.721 63.100 0.098 0.000 0.793 159 P CB 0.350 32.111 31.700 0.101 0.000 1.011 160 N N 1.823 120.593 118.700 0.116 0.000 2.441 160 N HA -0.032 4.709 4.740 0.002 0.000 0.251 160 N C 0.564 176.153 175.510 0.131 0.000 1.242 160 N CA 0.537 53.678 53.050 0.153 0.000 0.898 160 N CB -0.830 37.768 38.487 0.184 0.000 1.100 160 N HN 0.504 8.884 8.380 0.000 0.000 0.443 161 N N -0.403 118.385 118.700 0.146 0.000 2.756 161 N HA -0.177 4.564 4.740 0.002 0.000 0.248 161 N C -1.814 173.788 175.510 0.153 0.000 1.062 161 N CA 0.319 53.407 53.050 0.063 0.000 0.696 161 N CB -1.068 37.294 38.487 -0.208 0.000 0.946 161 N HN 0.245 8.625 8.380 0.000 0.000 0.548 162 V N 0.434 120.457 119.914 0.181 0.000 2.581 162 V HA 0.618 4.739 4.120 0.002 0.000 0.303 162 V C 0.353 176.436 176.094 -0.017 0.000 1.041 162 V CA -0.836 61.497 62.300 0.054 0.000 0.907 162 V CB 2.147 33.952 31.823 -0.031 0.000 0.994 162 V HN 0.049 8.239 8.190 0.000 0.000 0.442 163 V N 4.772 124.600 119.914 -0.143 0.000 2.398 163 V HA 0.447 4.568 4.120 0.002 0.000 0.286 163 V C -0.242 175.607 176.094 -0.407 0.000 1.026 163 V CA -0.606 61.457 62.300 -0.394 0.000 0.868 163 V CB 1.807 33.350 31.823 -0.467 0.000 0.982 163 V HN 0.584 8.774 8.190 0.000 0.000 0.443 164 V N 3.993 123.631 119.914 -0.460 0.000 2.370 164 V HA 0.534 4.656 4.120 0.002 0.000 0.279 164 V C 1.008 176.854 176.094 -0.414 0.000 1.029 164 V CA -0.447 61.633 62.300 -0.367 0.000 0.870 164 V CB 1.372 33.038 31.823 -0.262 0.000 0.984 164 V HN 0.990 9.180 8.190 0.000 0.000 0.451 165 G N 3.031 111.636 108.800 -0.326 0.000 2.414 165 G HA2 0.201 4.163 3.960 0.002 0.000 0.236 165 G HA3 0.201 4.163 3.960 0.002 0.000 0.236 165 G C 0.458 175.234 174.900 -0.207 0.000 1.293 165 G CA 0.115 45.047 45.100 -0.280 0.000 0.869 165 G HN 0.821 9.111 8.290 0.000 0.000 0.556 166 S N 1.343 116.931 115.700 -0.188 0.000 2.599 166 S HA -0.087 4.385 4.470 0.002 0.000 0.303 166 S C 1.147 175.750 174.600 0.006 0.000 1.267 166 S CA 0.603 58.734 58.200 -0.114 0.000 1.055 166 S CB -0.192 62.996 63.200 -0.021 0.000 0.790 166 S HN 0.875 9.185 8.310 0.000 0.000 0.500 167 H N 0.428 119.464 119.070 -0.056 0.000 3.211 167 H HA -0.130 4.427 4.556 0.002 0.000 0.240 167 H C 0.263 175.572 175.328 -0.032 0.000 1.148 167 H CA 1.248 57.276 56.048 -0.035 0.000 1.160 167 H CB -2.519 27.227 29.762 -0.026 0.000 1.232 167 H HN 0.628 8.908 8.280 0.000 0.000 0.321 168 T N 1.488 116.052 114.554 0.017 0.000 2.897 168 T HA 0.414 4.765 4.350 0.002 0.000 0.294 168 T C 0.851 175.556 174.700 0.008 0.000 1.004 168 T CA -0.380 61.727 62.100 0.011 0.000 1.106 168 T CB 2.301 71.147 68.868 -0.037 0.000 0.949 168 T HN 0.034 8.274 8.240 0.000 0.000 0.520 169 V N 4.725 124.660 119.914 0.036 0.000 2.384 169 V HA 0.376 4.497 4.120 0.002 0.000 0.287 169 V C -0.091 176.030 176.094 0.044 0.000 1.020 169 V CA -0.794 61.510 62.300 0.006 0.000 0.850 169 V CB 1.072 32.903 31.823 0.013 0.000 0.987 169 V HN 0.688 8.878 8.190 0.000 0.000 0.436 170 L N 4.898 126.124 121.223 0.004 0.000 2.272 170 L HA 0.441 4.782 4.340 0.002 0.000 0.289 170 L C 0.006 176.876 176.870 -0.002 0.000 1.032 170 L CA -0.344 54.550 54.840 0.091 0.000 0.810 170 L CB 1.241 43.372 42.059 0.121 0.000 1.205 170 L HN 0.634 8.864 8.230 0.000 0.000 0.422 171 Y N 1.491 121.830 120.300 0.065 0.000 2.535 171 Y HA 0.236 4.787 4.550 0.002 0.000 0.266 171 Y C 0.658 176.562 175.900 0.007 0.000 1.088 171 Y CA 0.174 58.292 58.100 0.030 0.000 1.285 171 Y CB 0.822 39.292 38.460 0.016 0.000 1.166 171 Y HN 0.411 8.691 8.280 0.000 0.000 0.525 172 K N -0.335 120.154 120.400 0.148 0.000 2.435 172 K HA 0.466 4.787 4.320 0.002 0.000 0.251 172 K C -0.527 176.035 176.600 -0.063 0.000 0.954 172 K CA -0.705 55.582 56.287 -0.001 0.000 0.820 172 K CB 2.380 34.816 32.500 -0.107 0.000 1.292 172 K HN -0.220 8.030 8.250 0.000 0.000 0.436 173 S N 0.967 116.615 115.700 -0.085 0.000 2.593 173 S HA 0.403 4.874 4.470 0.002 0.000 0.269 173 S C -0.483 173.983 174.600 -0.224 0.000 1.334 173 S CA -0.253 57.931 58.200 -0.027 0.000 1.015 173 S CB 0.148 63.349 63.200 0.001 0.000 0.912 173 S HN 0.280 8.590 8.310 0.000 0.000 0.541 174 F N 0.271 120.234 119.950 0.022 0.000 2.598 174 F HA 0.488 5.016 4.527 0.002 0.000 0.327 174 F C 1.155 176.968 175.800 0.023 0.000 1.057 174 F CA -0.774 57.239 58.000 0.021 0.000 0.957 174 F CB 1.734 40.745 39.000 0.018 0.000 1.278 174 F HN 0.458 8.758 8.300 0.000 0.000 0.484 175 K N -0.615 119.910 120.400 0.208 0.000 2.435 175 K HA 0.134 4.456 4.320 0.002 0.000 0.199 175 K C -0.248 176.427 176.600 0.124 0.000 1.153 175 K CA 0.086 56.449 56.287 0.126 0.000 0.974 175 K CB 0.557 33.101 32.500 0.073 0.000 0.997 175 K HN 0.373 8.623 8.250 0.000 0.000 0.547 176 E N 3.029 123.320 120.200 0.152 0.000 2.180 176 E HA 0.122 4.473 4.350 0.002 0.000 0.283 176 E C -2.388 174.263 176.600 0.085 0.000 1.061 176 E CA -1.813 54.652 56.400 0.108 0.000 0.861 176 E CB 1.154 30.920 29.700 0.110 0.000 1.056 176 E HN 0.113 8.473 8.360 0.000 0.000 0.407 177 P HA 0.184 4.604 4.420 0.000 0.000 0.278 177 P C -0.467 176.866 177.300 0.054 0.000 1.266 177 P CA -0.393 62.748 63.100 0.069 0.000 0.807 177 P CB 0.670 32.422 31.700 0.086 0.000 1.094 178 N N -2.935 115.793 118.700 0.047 0.000 2.783 178 N HA -0.119 4.622 4.740 0.002 0.000 0.247 178 N C -0.014 175.512 175.510 0.026 0.000 1.089 178 N CA 0.931 54.004 53.050 0.037 0.000 0.690 178 N CB -2.490 36.026 38.487 0.049 0.000 0.991 178 N HN 0.755 9.135 8.380 0.000 0.000 0.552 179 C N -3.435 115.868 119.300 0.005 0.000 3.154 179 C HA 0.856 5.317 4.460 0.002 0.000 0.312 179 C C 0.382 175.326 174.990 -0.076 0.000 1.349 179 C CA -0.943 58.057 59.018 -0.030 0.000 1.518 179 C CB 1.867 29.582 27.740 -0.041 0.000 1.934 179 C HN 0.054 8.284 8.230 0.000 0.000 0.462 180 V N 1.780 121.633 119.914 -0.102 0.000 2.435 180 V HA 0.541 4.663 4.120 0.002 0.000 0.290 180 V C -0.121 175.851 176.094 -0.203 0.000 1.030 180 V CA -0.177 62.025 62.300 -0.163 0.000 0.881 180 V CB 1.301 33.039 31.823 -0.143 0.000 0.983 180 V HN 0.787 8.977 8.190 0.000 0.000 0.445 181 I N 3.719 124.124 120.570 -0.274 0.000 2.433 181 I HA 0.855 5.026 4.170 0.002 0.000 0.292 181 I C 0.109 176.094 176.117 -0.220 0.000 1.001 181 I CA -0.234 60.878 61.300 -0.314 0.000 1.119 181 I CB 1.895 39.560 38.000 -0.558 0.000 1.289 181 I HN 0.796 9.006 8.210 0.000 0.000 0.438 182 A N 4.077 126.815 122.820 -0.136 0.000 2.599 182 A HA 0.941 5.262 4.320 0.002 0.000 0.290 182 A C -0.351 177.222 177.584 -0.019 0.000 1.101 182 A CA -0.118 51.870 52.037 -0.081 0.000 0.674 182 A CB 1.284 20.231 19.000 -0.089 0.000 1.277 182 A HN 1.310 9.460 8.150 0.000 0.000 0.419 183 G N -0.871 107.929 108.800 0.001 0.000 2.712 183 G HA2 0.429 4.390 3.960 0.002 0.000 0.683 183 G HA3 0.429 4.390 3.960 0.002 0.000 0.683 183 G C -0.137 174.795 174.900 0.054 0.000 1.320 183 G CA 0.328 45.443 45.100 0.024 0.000 0.847 183 G HN 2.236 10.526 8.290 0.000 0.000 0.553 184 S N 0.996 116.727 115.700 0.051 0.000 2.707 184 S HA 0.764 5.235 4.470 0.002 0.000 0.303 184 S C -1.219 173.409 174.600 0.046 0.000 1.132 184 S CA -0.127 58.112 58.200 0.065 0.000 1.046 184 S CB 1.110 64.347 63.200 0.062 0.000 1.004 184 S HN 0.915 9.225 8.310 0.000 0.000 0.483 185 P HA 0.408 4.828 4.420 0.000 0.000 0.274 185 P C -0.437 176.934 177.300 0.117 0.000 1.260 185 P CA -0.588 62.562 63.100 0.082 0.000 0.793 185 P CB 0.236 31.967 31.700 0.052 0.000 1.048 186 A N 1.179 124.107 122.820 0.179 0.000 2.477 186 A HA 0.412 4.734 4.320 0.002 0.000 0.246 186 A C 0.517 178.293 177.584 0.321 0.000 1.078 186 A CA 0.114 52.283 52.037 0.220 0.000 0.770 186 A CB -0.323 18.848 19.000 0.284 0.000 1.011 186 A HN 0.668 8.818 8.150 0.000 0.000 0.494 187 K N 1.730 122.253 120.400 0.205 0.000 2.533 187 K HA 0.618 4.940 4.320 0.002 0.000 0.272 187 K C -1.326 175.311 176.600 0.062 0.000 0.985 187 K CA -0.902 55.527 56.287 0.237 0.000 0.876 187 K CB 1.115 33.703 32.500 0.147 0.000 1.452 187 K HN 0.391 8.641 8.250 0.000 0.000 0.439 188 I N 2.665 123.287 120.570 0.087 0.000 2.664 188 I HA -0.086 4.085 4.170 0.002 0.000 0.284 188 I C 1.245 177.356 176.117 -0.010 0.000 1.154 188 I CA -0.207 61.082 61.300 -0.019 0.000 1.402 188 I CB 0.871 38.893 38.000 0.037 0.000 1.395 188 I HN 0.600 8.810 8.210 0.000 0.000 0.545 189 V N 2.204 122.090 119.914 -0.045 0.000 3.621 189 V HA 0.324 4.445 4.120 0.002 0.000 0.263 189 V C 0.359 176.436 176.094 -0.029 0.000 1.272 189 V CA 0.415 62.697 62.300 -0.031 0.000 1.080 189 V CB -0.102 31.695 31.823 -0.044 0.000 0.816 189 V HN 0.707 8.897 8.190 0.000 0.000 0.451 190 K N 0.823 121.201 120.400 -0.037 0.000 2.550 190 K HA 0.505 4.826 4.320 0.002 0.000 0.252 190 K C -0.991 175.599 176.600 -0.016 0.000 0.943 190 K CA -0.268 56.005 56.287 -0.022 0.000 0.806 190 K CB 2.138 34.623 32.500 -0.026 0.000 1.289 190 K HN 0.451 8.701 8.250 0.000 0.000 0.435 191 E N 1.878 122.079 120.200 0.001 0.000 2.232 191 E HA 0.373 4.725 4.350 0.002 0.000 0.265 191 E C -0.750 175.860 176.600 0.017 0.000 1.001 191 E CA -0.915 55.491 56.400 0.011 0.000 0.870 191 E CB 0.772 30.484 29.700 0.020 0.000 1.175 191 E HN 0.698 9.058 8.360 0.000 0.000 0.407 192 N N 0.296 119.011 118.700 0.025 0.000 2.746 192 N HA -0.203 4.538 4.740 0.002 0.000 0.250 192 N C -1.090 174.438 175.510 0.029 0.000 1.055 192 N CA 0.295 53.364 53.050 0.031 0.000 0.699 192 N CB -1.418 37.087 38.487 0.031 0.000 0.919 192 N HN 0.330 8.710 8.380 0.000 0.000 0.548 193 I N -4.171 116.418 120.570 0.032 0.000 3.067 193 I HA 0.919 5.090 4.170 0.002 0.000 0.312 193 I C -0.401 175.738 176.117 0.037 0.000 1.073 193 I CA -1.248 60.075 61.300 0.038 0.000 1.016 193 I CB 2.003 40.033 38.000 0.050 0.000 1.227 193 I HN -0.164 8.046 8.210 0.000 0.000 0.456 194 V N 3.860 123.797 119.914 0.038 0.000 2.888 194 V HA 0.633 4.754 4.120 0.002 0.000 0.309 194 V C -1.543 174.602 176.094 0.085 0.000 1.114 194 V CA -0.337 61.952 62.300 -0.019 0.000 0.940 194 V CB 1.949 33.725 31.823 -0.078 0.000 1.021 194 V HN 1.006 9.196 8.190 0.000 0.000 0.426 195 W N 4.860 126.186 121.300 0.044 0.000 2.576 195 W HA 0.938 5.599 4.660 0.003 0.000 0.360 195 W C -0.352 176.224 176.519 0.094 0.000 1.109 195 W CA -0.584 56.819 57.345 0.098 0.000 1.237 195 W CB 1.522 31.121 29.460 0.232 0.000 1.369 195 W HN 0.924 9.104 8.180 0.000 0.000 0.609 196 G N 0.572 109.527 108.800 0.258 0.000 2.725 196 G HA2 0.399 4.360 3.960 0.002 0.000 0.288 196 G HA3 0.399 4.360 3.960 0.002 0.000 0.288 196 G C -0.015 174.984 174.900 0.164 0.000 1.399 196 G CA -0.963 44.166 45.100 0.048 0.000 0.859 196 G HN 0.515 8.805 8.290 0.000 0.000 0.479 197 R N -0.686 119.859 120.500 0.075 0.000 2.100 197 R HA 0.118 4.460 4.340 0.002 0.000 0.220 197 R C 0.164 176.466 176.300 0.003 0.000 1.091 197 R CA 0.597 56.720 56.100 0.038 0.000 0.986 197 R CB 0.046 30.382 30.300 0.059 0.000 0.888 197 R HN 0.152 8.422 8.270 0.000 0.000 0.444 198 K N 1.868 122.276 120.400 0.013 0.000 2.235 198 K HA 0.175 4.496 4.320 0.002 0.000 0.266 198 K C 0.247 176.778 176.600 -0.115 0.000 0.980 198 K CA -0.208 56.064 56.287 -0.026 0.000 0.849 198 K CB 1.798 34.226 32.500 -0.120 0.000 1.098 198 K HN 0.144 8.394 8.250 0.000 0.000 0.445 199 M N 1.967 121.556 119.600 -0.017 0.000 3.029 199 M HA 0.209 4.690 4.480 0.002 0.000 0.267 199 M C -0.579 175.727 176.300 0.009 0.000 1.270 199 M CA -0.231 55.070 55.300 0.001 0.000 1.101 199 M CB -0.304 32.329 32.600 0.055 0.000 1.266 199 M HN 0.509 8.799 8.290 0.000 0.000 0.503 200 Y N -2.302 117.912 120.300 -0.143 0.000 2.660 200 Y HA 0.497 5.049 4.550 0.002 0.000 0.254 200 Y C -0.307 175.425 175.900 -0.279 0.000 1.176 200 Y CA -0.974 57.001 58.100 -0.210 0.000 1.195 200 Y CB -0.527 37.792 38.460 -0.235 0.000 1.190 200 Y HN 0.297 8.577 8.280 0.000 0.000 0.535 201 H N 0.450 119.439 119.070 -0.134 0.000 2.519 201 H HA 0.282 4.839 4.556 0.002 0.000 0.316 201 H C 0.574 175.898 175.328 -0.006 0.000 1.065 201 H CA -0.157 55.846 56.048 -0.075 0.000 1.264 201 H CB 2.183 31.849 29.762 -0.160 0.000 1.413 201 H HN 0.257 8.537 8.280 0.000 0.000 0.465 202 S N 2.548 118.328 115.700 0.132 0.000 2.401 202 S HA -0.171 4.300 4.470 0.002 0.000 0.236 202 S C 1.269 175.923 174.600 0.089 0.000 1.058 202 S CA 2.325 60.584 58.200 0.097 0.000 1.151 202 S CB 0.016 63.272 63.200 0.094 0.000 1.049 202 S HN 0.895 9.205 8.310 0.000 0.000 0.432 203 T N -1.504 113.109 114.554 0.098 0.000 2.858 203 T HA 0.532 4.883 4.350 0.002 0.000 0.285 203 T C 1.049 175.713 174.700 -0.061 0.000 1.052 203 T CA -0.383 61.742 62.100 0.041 0.000 1.009 203 T CB 1.156 70.110 68.868 0.144 0.000 1.241 203 T HN 0.281 8.521 8.240 0.000 0.000 0.542 204 M N -0.392 119.056 119.600 -0.253 0.000 2.358 204 M HA 0.037 4.519 4.480 0.002 0.000 0.264 204 M C 1.025 177.108 176.300 -0.361 0.000 1.064 204 M CA 1.382 56.472 55.300 -0.350 0.000 1.093 204 M CB -1.054 31.273 32.600 -0.456 0.000 1.401 204 M HN 0.667 8.957 8.290 0.000 0.000 0.440 205 Y N 0.910 121.113 120.300 -0.163 0.000 2.632 205 Y HA -0.054 4.497 4.550 0.003 0.000 0.301 205 Y C 2.087 177.963 175.900 -0.040 0.000 1.172 205 Y CA 0.660 58.697 58.100 -0.105 0.000 1.328 205 Y CB -0.357 38.027 38.460 -0.127 0.000 1.016 205 Y HN 0.425 8.705 8.280 0.000 0.000 0.529 206 D N -0.391 120.012 120.400 0.005 0.000 2.379 206 D HA -0.070 4.572 4.640 0.002 0.000 0.208 206 D C -0.401 175.691 176.300 -0.348 0.000 1.065 206 D CA 0.336 54.326 54.000 -0.016 0.000 0.848 206 D CB 0.243 41.146 40.800 0.172 0.000 0.949 206 D HN 0.150 8.520 8.370 0.000 0.000 0.509 207 D N 0.848 120.973 120.400 -0.458 0.000 2.427 207 D HA 0.152 4.794 4.640 0.002 0.000 0.226 207 D C -1.745 174.447 176.300 -0.180 0.000 1.076 207 D CA -1.973 51.722 54.000 -0.508 0.000 0.849 207 D CB 2.121 42.591 40.800 -0.550 0.000 1.052 207 D HN -0.011 8.359 8.370 0.000 0.000 0.515 208 P HA -0.065 4.355 4.420 0.000 0.000 0.233 208 P C 1.111 178.348 177.300 -0.105 0.000 1.167 208 P CA 0.723 63.784 63.100 -0.065 0.000 0.770 208 P CB -0.020 31.660 31.700 -0.035 0.000 0.837 209 T N -3.337 111.146 114.554 -0.119 0.000 3.055 209 T HA 0.059 4.410 4.350 0.002 0.000 0.265 209 T C 1.649 176.236 174.700 -0.189 0.000 1.111 209 T CA 0.463 62.477 62.100 -0.145 0.000 1.118 209 T CB -0.901 67.901 68.868 -0.110 0.000 0.909 209 T HN 0.072 8.312 8.240 0.000 0.000 0.501 210 L N 0.422 121.570 121.223 -0.126 0.000 2.567 210 L HA 0.288 4.630 4.340 0.002 0.000 0.225 210 L C 2.213 178.936 176.870 -0.245 0.000 1.119 210 L CA 0.075 54.908 54.840 -0.012 0.000 0.871 210 L CB -0.612 41.497 42.059 0.083 0.000 1.036 210 L HN 0.301 8.531 8.230 0.000 0.000 0.459 211 N N 1.270 119.708 118.700 -0.436 0.000 2.137 211 N HA -0.266 4.476 4.740 0.002 0.000 0.190 211 N C 1.602 176.553 175.510 -0.931 0.000 1.017 211 N CA 1.705 54.206 53.050 -0.915 0.000 0.859 211 N CB -0.067 38.147 38.487 -0.455 0.000 1.002 211 N HN 0.566 8.946 8.380 0.000 0.000 0.428 212 E N 0.613 120.373 120.200 -0.733 0.000 2.268 212 E HA -0.147 4.204 4.350 0.002 0.000 0.195 212 E C 1.008 177.215 176.600 -0.654 0.000 0.995 212 E CA 0.849 56.831 56.400 -0.698 0.000 0.836 212 E CB -0.379 28.854 29.700 -0.778 0.000 0.763 212 E HN 0.470 8.830 8.360 0.000 0.000 0.491 213 F N 0.113 119.867 119.950 -0.327 0.000 2.615 213 F HA 0.043 4.571 4.527 0.002 0.000 0.297 213 F C 1.586 177.349 175.800 -0.062 0.000 1.124 213 F CA 0.458 58.354 58.000 -0.175 0.000 1.451 213 F CB 0.105 39.008 39.000 -0.161 0.000 1.103 213 F HN 0.157 8.457 8.300 0.000 0.000 0.569 214 Y N 0.075 120.392 120.300 0.028 0.000 2.526 214 Y HA 0.342 4.893 4.550 0.002 0.000 0.265 214 Y C 0.980 176.889 175.900 0.016 0.000 1.092 214 Y CA -1.337 56.774 58.100 0.019 0.000 1.277 214 Y CB -0.970 37.480 38.460 -0.017 0.000 1.228 214 Y HN -0.180 8.100 8.280 0.000 0.000 0.507 215 K N 0.000 120.284 120.400 -0.193 0.000 2.780 215 K HA 0.000 4.321 4.320 0.002 0.000 0.191 215 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 215 K CB 0.000 32.369 32.500 -0.218 0.000 1.064 215 K HN 0.000 8.250 8.250 0.000 0.000 0.543