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 3lcv_1_B DATA FIRST_RESID 8 DATA SEQUENCE DRIDEIERAI TKSRRYQTVA PATVRRLARA ALVAARGDVP DAVKRTKRGL DATA SEQUENCE HEIYGAFLPP SPPNYAALLR HLDSAVDAGD DEAVRAALLR AXSVHISTRE DATA SEQUENCE RLPHLDEFYR ELFRHLPRPN TLRDLACGLN PLAAPWXGLP AETVYIASDI DATA SEQUENCE DARLVGFVDE ALTRLNVPHR TNVADLLEDR LDEPADVTLL LKTLPCLETQ DATA SEQUENCE QRGSGWEVID IVNSPNIVVT FPTKXXXXXX XGXFQNYSQS FESQARERSC DATA SEQUENCE RIQRLEIGNE LIYVIQ 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 8 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 8 D C 0.000 176.304 176.300 0.006 0.000 2.045 8 D CA 0.000 54.003 54.000 0.005 0.000 0.868 8 D CB 0.000 40.803 40.800 0.005 0.000 0.688 9 R N 0.807 121.310 120.500 0.006 0.000 2.189 9 R HA 0.255 4.596 4.340 0.001 0.000 0.218 9 R C 2.186 178.490 176.300 0.006 0.000 1.074 9 R CA 0.808 56.911 56.100 0.006 0.000 0.991 9 R CB 0.220 30.524 30.300 0.006 0.000 0.883 9 R HN 0.330 8.600 8.270 -0.000 0.000 0.457 10 I N 0.718 121.291 120.570 0.006 0.000 2.286 10 I HA -0.220 3.950 4.170 0.001 0.000 0.245 10 I C 1.379 177.500 176.117 0.007 0.000 1.104 10 I CA 1.082 62.385 61.300 0.005 0.000 1.397 10 I CB -0.237 37.766 38.000 0.004 0.000 1.072 10 I HN 0.053 8.263 8.210 -0.000 0.000 0.417 11 D N 0.806 121.210 120.400 0.007 0.000 2.117 11 D HA -0.223 4.417 4.640 0.001 0.000 0.197 11 D C 1.985 178.292 176.300 0.011 0.000 0.987 11 D CA 1.172 55.177 54.000 0.009 0.000 0.829 11 D CB -0.223 40.582 40.800 0.008 0.000 0.961 11 D HN 0.394 8.764 8.370 -0.000 0.000 0.460 12 E N 0.336 120.542 120.200 0.010 0.000 2.058 12 E HA -0.160 4.190 4.350 0.001 0.000 0.194 12 E C 2.307 178.916 176.600 0.014 0.000 0.997 12 E CA 0.734 57.141 56.400 0.012 0.000 0.801 12 E CB -0.080 29.627 29.700 0.010 0.000 0.746 12 E HN 0.238 8.598 8.360 -0.000 0.000 0.450 13 I N 0.791 121.369 120.570 0.013 0.000 2.179 13 I HA -0.266 3.905 4.170 0.001 0.000 0.242 13 I C 2.652 178.780 176.117 0.017 0.000 1.088 13 I CA 1.324 62.632 61.300 0.014 0.000 1.357 13 I CB -0.384 37.621 38.000 0.008 0.000 1.051 13 I HN 0.253 8.463 8.210 -0.000 0.000 0.409 14 E N 1.236 121.445 120.200 0.014 0.000 2.058 14 E HA -0.253 4.098 4.350 0.001 0.000 0.194 14 E C 2.401 179.016 176.600 0.025 0.000 0.997 14 E CA 1.313 57.723 56.400 0.017 0.000 0.801 14 E CB 0.038 29.746 29.700 0.012 0.000 0.746 14 E HN 0.340 8.700 8.360 -0.000 0.000 0.450 15 R N -0.253 120.261 120.500 0.023 0.000 2.117 15 R HA -0.165 4.176 4.340 0.001 0.000 0.243 15 R C 2.318 178.637 176.300 0.033 0.000 1.143 15 R CA 1.161 57.276 56.100 0.025 0.000 0.968 15 R CB -0.303 30.009 30.300 0.020 0.000 0.863 15 R HN 0.182 8.452 8.270 -0.000 0.000 0.444 16 A N 0.960 123.800 122.820 0.034 0.000 1.968 16 A HA -0.054 4.267 4.320 0.001 0.000 0.217 16 A C 1.958 179.581 177.584 0.065 0.000 1.169 16 A CA 0.798 52.861 52.037 0.043 0.000 0.638 16 A CB -0.106 18.916 19.000 0.038 0.000 0.812 16 A HN 0.081 8.231 8.150 -0.000 0.000 0.446 17 I N 1.381 121.990 120.570 0.065 0.000 3.001 17 I HA -0.107 4.063 4.170 0.001 0.000 0.268 17 I C 1.986 178.171 176.117 0.114 0.000 1.267 17 I CA 1.702 63.060 61.300 0.097 0.000 1.472 17 I CB -1.583 36.450 38.000 0.055 0.000 1.089 17 I HN 0.488 8.698 8.210 -0.000 0.000 0.468 18 T N -0.536 114.064 114.554 0.077 0.000 3.699 18 T HA -0.103 4.248 4.350 0.001 0.000 0.257 18 T C 0.840 175.586 174.700 0.078 0.000 1.155 18 T CA -0.334 61.808 62.100 0.070 0.000 0.987 18 T CB -0.847 68.048 68.868 0.047 0.000 1.028 18 T HN 0.036 8.276 8.240 -0.000 0.000 0.583 19 K N 2.758 123.225 120.400 0.111 0.000 2.369 19 K HA -0.176 4.145 4.320 0.001 0.000 0.245 19 K C 1.233 177.859 176.600 0.043 0.000 1.112 19 K CA 0.722 57.070 56.287 0.101 0.000 1.179 19 K CB -0.419 32.186 32.500 0.175 0.000 0.734 19 K HN 0.535 8.785 8.250 -0.000 0.000 0.502 20 S N 4.006 119.722 115.700 0.028 0.000 2.571 20 S HA -0.120 4.351 4.470 0.001 0.000 0.245 20 S C 1.069 175.661 174.600 -0.014 0.000 0.976 20 S CA 0.491 58.697 58.200 0.010 0.000 0.954 20 S CB -0.057 63.148 63.200 0.009 0.000 0.756 20 S HN 0.572 8.882 8.310 -0.000 0.000 0.535 21 R N 1.317 121.794 120.500 -0.039 0.000 1.972 21 R HA 0.394 4.734 4.340 0.001 0.000 0.125 21 R C 2.108 178.314 176.300 -0.158 0.000 1.931 21 R CA 0.001 56.045 56.100 -0.093 0.000 1.656 21 R CB -0.565 29.667 30.300 -0.113 0.000 1.368 21 R HN 0.271 8.541 8.270 -0.000 0.000 0.479 22 R N 0.222 120.505 120.500 -0.361 0.000 2.193 22 R HA 0.025 4.366 4.340 0.001 0.000 0.213 22 R C 0.740 176.768 176.300 -0.454 0.000 1.055 22 R CA 1.111 56.885 56.100 -0.544 0.000 0.995 22 R CB 0.036 29.743 30.300 -0.988 0.000 0.893 22 R HN 0.343 8.613 8.270 -0.000 0.000 0.459 23 Y N -0.218 120.159 120.300 0.129 0.000 2.660 23 Y HA 0.239 4.789 4.550 -0.001 0.000 0.254 23 Y C 1.672 177.596 175.900 0.040 0.000 1.176 23 Y CA -1.026 57.129 58.100 0.091 0.000 1.195 23 Y CB -0.216 38.290 38.460 0.076 0.000 1.190 23 Y HN -0.002 8.278 8.280 -0.000 0.000 0.535 24 Q N 1.079 120.955 119.800 0.126 0.000 2.197 24 Q HA -0.165 4.176 4.340 0.001 0.000 0.207 24 Q C 1.174 177.217 176.000 0.073 0.000 0.984 24 Q CA 2.197 58.053 55.803 0.088 0.000 0.869 24 Q CB 0.139 28.913 28.738 0.060 0.000 0.906 24 Q HN 0.509 8.779 8.270 -0.000 0.000 0.426 25 T N -2.904 111.694 114.554 0.073 0.000 3.174 25 T HA 0.342 4.693 4.350 0.001 0.000 0.269 25 T C 0.168 174.867 174.700 -0.001 0.000 1.017 25 T CA -0.494 61.632 62.100 0.044 0.000 0.899 25 T CB 0.365 69.270 68.868 0.061 0.000 1.077 25 T HN -0.073 8.167 8.240 -0.000 0.000 0.552 26 V N 2.389 122.287 119.914 -0.026 0.000 2.843 26 V HA 0.476 4.597 4.120 0.001 0.000 0.305 26 V C 1.276 177.331 176.094 -0.064 0.000 1.065 26 V CA -0.729 61.499 62.300 -0.120 0.000 1.116 26 V CB 0.131 31.871 31.823 -0.138 0.000 0.968 26 V HN 0.753 8.943 8.190 -0.000 0.000 0.487 27 A N 6.190 128.966 122.820 -0.073 0.000 2.566 27 A HA 0.184 4.505 4.320 0.001 0.000 0.245 27 A C -1.133 176.434 177.584 -0.028 0.000 1.056 27 A CA -0.504 51.510 52.037 -0.038 0.000 0.757 27 A CB -0.376 18.604 19.000 -0.033 0.000 0.979 27 A HN 0.783 8.933 8.150 -0.000 0.000 0.508 28 P HA -0.197 4.223 4.420 -0.000 0.000 0.216 28 P C 1.706 179.000 177.300 -0.010 0.000 1.150 28 P CA 2.113 65.208 63.100 -0.008 0.000 0.837 28 P CB 0.158 31.857 31.700 -0.001 0.000 0.786 29 A N -0.961 121.853 122.820 -0.009 0.000 1.908 29 A HA -0.214 4.107 4.320 0.001 0.000 0.218 29 A C 2.222 179.800 177.584 -0.011 0.000 1.181 29 A CA 2.516 54.548 52.037 -0.007 0.000 0.627 29 A CB -1.851 17.146 19.000 -0.004 0.000 0.818 29 A HN 0.170 8.320 8.150 -0.000 0.000 0.445 30 T N -0.538 114.004 114.554 -0.019 0.000 2.812 30 T HA -0.074 4.277 4.350 0.001 0.000 0.264 30 T C 1.896 176.577 174.700 -0.032 0.000 1.042 30 T CA 1.424 63.509 62.100 -0.026 0.000 1.140 30 T CB -0.393 68.451 68.868 -0.041 0.000 0.870 30 T HN 0.162 8.402 8.240 -0.000 0.000 0.445 31 V N 1.675 121.568 119.914 -0.035 0.000 2.295 31 V HA -0.198 3.923 4.120 0.001 0.000 0.246 31 V C 2.599 178.681 176.094 -0.021 0.000 1.049 31 V CA 1.683 63.962 62.300 -0.035 0.000 1.024 31 V CB -0.588 31.221 31.823 -0.022 0.000 0.648 31 V HN 0.382 8.572 8.190 -0.000 0.000 0.447 32 R N -0.312 120.180 120.500 -0.013 0.000 2.081 32 R HA -0.155 4.185 4.340 0.001 0.000 0.235 32 R C 2.536 178.832 176.300 -0.005 0.000 1.131 32 R CA 1.712 57.808 56.100 -0.006 0.000 0.960 32 R CB -0.414 29.885 30.300 -0.003 0.000 0.856 32 R HN 0.438 8.708 8.270 -0.000 0.000 0.436 33 R N 0.735 121.231 120.500 -0.006 0.000 2.073 33 R HA -0.138 4.202 4.340 0.001 0.000 0.234 33 R C 1.929 178.227 176.300 -0.003 0.000 1.134 33 R CA 1.370 57.468 56.100 -0.002 0.000 0.952 33 R CB -0.200 30.100 30.300 0.000 0.000 0.850 33 R HN 0.066 8.336 8.270 -0.000 0.000 0.433 34 L N 0.590 121.807 121.223 -0.011 0.000 2.093 34 L HA -0.037 4.304 4.340 0.001 0.000 0.208 34 L C 2.491 179.354 176.870 -0.012 0.000 1.085 34 L CA 1.900 56.732 54.840 -0.013 0.000 0.755 34 L CB -0.643 41.398 42.059 -0.030 0.000 0.904 34 L HN 0.312 8.542 8.230 -0.000 0.000 0.435 35 A N -0.800 122.013 122.820 -0.013 0.000 1.930 35 A HA -0.172 4.149 4.320 0.001 0.000 0.217 35 A C 2.460 180.042 177.584 -0.002 0.000 1.175 35 A CA 1.259 53.291 52.037 -0.008 0.000 0.627 35 A CB -0.381 18.616 19.000 -0.006 0.000 0.815 35 A HN 0.312 8.462 8.150 -0.000 0.000 0.443 36 R N -0.569 119.931 120.500 -0.001 0.000 2.070 36 R HA -0.111 4.230 4.340 0.001 0.000 0.233 36 R C 2.499 178.801 176.300 0.003 0.000 1.137 36 R CA 1.350 57.451 56.100 0.002 0.000 0.945 36 R CB -0.509 29.793 30.300 0.003 0.000 0.845 36 R HN 0.496 8.766 8.270 -0.000 0.000 0.430 37 A N 1.024 123.847 122.820 0.004 0.000 1.972 37 A HA -0.093 4.228 4.320 0.001 0.000 0.219 37 A C 2.298 179.885 177.584 0.005 0.000 1.169 37 A CA 1.641 53.681 52.037 0.006 0.000 0.635 37 A CB -0.466 18.539 19.000 0.008 0.000 0.810 37 A HN 0.431 8.581 8.150 -0.000 0.000 0.446 38 A N -0.533 122.288 122.820 0.002 0.000 1.930 38 A HA 0.040 4.361 4.320 0.001 0.000 0.217 38 A C 2.156 179.741 177.584 0.003 0.000 1.175 38 A CA 1.269 53.306 52.037 0.002 0.000 0.627 38 A CB -0.471 18.528 19.000 -0.002 0.000 0.815 38 A HN 0.474 8.624 8.150 -0.000 0.000 0.443 39 L N -0.603 120.621 121.223 0.003 0.000 2.056 39 L HA -0.127 4.214 4.340 0.001 0.000 0.207 39 L C 2.591 179.463 176.870 0.005 0.000 1.078 39 L CA 1.634 56.477 54.840 0.004 0.000 0.749 39 L CB -0.209 41.852 42.059 0.004 0.000 0.901 39 L HN 0.353 8.583 8.230 -0.000 0.000 0.433 40 V N -0.303 119.614 119.914 0.005 0.000 2.358 40 V HA -0.231 3.890 4.120 0.001 0.000 0.246 40 V C 2.520 178.617 176.094 0.006 0.000 1.047 40 V CA 1.836 64.139 62.300 0.005 0.000 1.035 40 V CB -0.119 31.708 31.823 0.006 0.000 0.658 40 V HN 0.467 8.657 8.190 -0.000 0.000 0.452 41 A N -0.206 122.618 122.820 0.006 0.000 1.969 41 A HA 0.148 4.469 4.320 0.001 0.000 0.218 41 A C 2.207 179.795 177.584 0.005 0.000 1.169 41 A CA 1.670 53.711 52.037 0.006 0.000 0.635 41 A CB -0.732 18.272 19.000 0.007 0.000 0.810 41 A HN 0.943 9.093 8.150 -0.000 0.000 0.445 42 A N -1.628 121.195 122.820 0.005 0.000 2.278 42 A HA 0.358 4.679 4.320 0.001 0.000 0.212 42 A C 1.218 178.804 177.584 0.005 0.000 1.213 42 A CA 0.710 52.750 52.037 0.005 0.000 0.840 42 A CB -0.474 18.529 19.000 0.005 0.000 0.866 42 A HN 0.647 8.797 8.150 -0.000 0.000 0.489 43 R N -1.963 118.540 120.500 0.005 0.000 3.651 43 R HA -0.230 4.110 4.340 0.001 0.000 0.292 43 R C 0.983 177.285 176.300 0.004 0.000 1.161 43 R CA 0.859 56.962 56.100 0.004 0.000 0.787 43 R CB -2.145 28.158 30.300 0.004 0.000 1.249 43 R HN 1.743 10.013 8.270 -0.000 0.000 0.476 44 G N -0.371 108.431 108.800 0.004 0.000 2.205 44 G HA2 -0.377 3.584 3.960 0.001 0.000 0.261 44 G HA3 -0.377 3.584 3.960 0.001 0.000 0.261 44 G C -0.142 174.761 174.900 0.005 0.000 0.980 44 G CA 0.482 45.585 45.100 0.005 0.000 0.632 44 G HN 0.646 8.936 8.290 -0.000 0.000 0.533 45 D N 0.273 120.676 120.400 0.005 0.000 2.336 45 D HA 0.495 5.136 4.640 0.001 0.000 0.249 45 D C 1.691 177.995 176.300 0.006 0.000 1.213 45 D CA 0.157 54.160 54.000 0.005 0.000 0.870 45 D CB 1.156 41.959 40.800 0.005 0.000 1.076 45 D HN 0.026 8.396 8.370 -0.000 0.000 0.483 46 V N 5.893 125.811 119.914 0.007 0.000 2.261 46 V HA -0.130 3.991 4.120 0.001 0.000 0.246 46 V C -0.807 175.293 176.094 0.009 0.000 1.047 46 V CA 1.365 63.670 62.300 0.008 0.000 1.015 46 V CB -1.372 30.456 31.823 0.009 0.000 0.642 46 V HN 0.639 8.829 8.190 -0.000 0.000 0.446 47 P HA -0.164 4.256 4.420 -0.000 0.000 0.215 47 P C 1.030 178.336 177.300 0.011 0.000 1.163 47 P CA 1.878 64.985 63.100 0.011 0.000 0.894 47 P CB -0.117 31.589 31.700 0.009 0.000 0.791 48 D N -1.252 119.153 120.400 0.008 0.000 2.178 48 D HA -0.085 4.556 4.640 0.001 0.000 0.202 48 D C 1.983 178.287 176.300 0.007 0.000 0.974 48 D CA 1.280 55.284 54.000 0.007 0.000 0.841 48 D CB -0.755 40.048 40.800 0.005 0.000 0.953 48 D HN 0.068 8.438 8.370 -0.000 0.000 0.478 49 A N 0.221 123.045 122.820 0.007 0.000 1.930 49 A HA -0.119 4.202 4.320 0.001 0.000 0.217 49 A C 2.343 179.930 177.584 0.006 0.000 1.175 49 A CA 0.935 52.975 52.037 0.005 0.000 0.627 49 A CB -0.696 18.307 19.000 0.005 0.000 0.815 49 A HN 0.143 8.293 8.150 -0.000 0.000 0.443 50 V N 0.423 120.344 119.914 0.010 0.000 2.343 50 V HA -0.288 3.833 4.120 0.001 0.000 0.247 50 V C 2.451 178.555 176.094 0.018 0.000 1.051 50 V CA 2.349 64.658 62.300 0.016 0.000 1.036 50 V CB -0.685 31.152 31.823 0.023 0.000 0.654 50 V HN 0.566 8.756 8.190 -0.000 0.000 0.451 51 K N -0.178 120.231 120.400 0.016 0.000 2.009 51 K HA -0.192 4.129 4.320 0.001 0.000 0.210 51 K C 2.401 179.006 176.600 0.008 0.000 1.049 51 K CA 1.530 57.827 56.287 0.016 0.000 0.929 51 K CB -0.329 32.177 32.500 0.010 0.000 0.714 51 K HN 0.322 8.572 8.250 -0.000 0.000 0.440 52 R N 0.592 121.094 120.500 0.003 0.000 2.083 52 R HA -0.150 4.191 4.340 0.001 0.000 0.237 52 R C 2.757 179.050 176.300 -0.011 0.000 1.137 52 R CA 2.237 58.337 56.100 -0.001 0.000 0.951 52 R CB -0.701 29.599 30.300 0.000 0.000 0.851 52 R HN 0.491 8.761 8.270 -0.000 0.000 0.434 53 T N -0.635 113.908 114.554 -0.018 0.000 2.652 53 T HA -0.172 4.179 4.350 0.001 0.000 0.267 53 T C 1.762 176.407 174.700 -0.092 0.000 1.039 53 T CA 1.265 63.337 62.100 -0.046 0.000 1.153 53 T CB -0.202 68.642 68.868 -0.039 0.000 0.863 53 T HN 0.221 8.461 8.240 -0.000 0.000 0.428 54 K N 0.872 121.236 120.400 -0.060 0.000 2.032 54 K HA -0.077 4.244 4.320 0.001 0.000 0.209 54 K C 2.851 179.436 176.600 -0.025 0.000 1.048 54 K CA 1.593 57.845 56.287 -0.059 0.000 0.927 54 K CB -0.237 32.323 32.500 0.099 0.000 0.712 54 K HN 0.401 8.651 8.250 -0.000 0.000 0.441 55 R N -0.175 120.331 120.500 0.011 0.000 2.120 55 R HA -0.091 4.249 4.340 0.001 0.000 0.234 55 R C 2.472 178.795 176.300 0.039 0.000 1.123 55 R CA 1.243 57.359 56.100 0.028 0.000 0.975 55 R CB -0.409 29.893 30.300 0.002 0.000 0.866 55 R HN 0.323 8.593 8.270 -0.000 0.000 0.446 56 G N 0.973 109.771 108.800 -0.004 0.000 2.403 56 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 56 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 56 G C 1.441 176.331 174.900 -0.017 0.000 1.154 56 G CA 0.191 45.291 45.100 0.000 0.000 0.784 56 G HN 0.110 8.400 8.290 -0.000 0.000 0.538 57 L N -0.410 120.732 121.223 -0.135 0.000 2.093 57 L HA -0.063 4.278 4.340 0.001 0.000 0.208 57 L C 2.666 179.531 176.870 -0.007 0.000 1.085 57 L CA 1.071 55.768 54.840 -0.239 0.000 0.755 57 L CB -0.459 41.077 42.059 -0.871 0.000 0.904 57 L HN 0.290 8.520 8.230 -0.000 0.000 0.435 58 H N 0.519 119.581 119.070 -0.014 0.000 2.353 58 H HA -0.222 4.338 4.556 0.006 0.000 0.300 58 H C 2.065 177.397 175.328 0.007 0.000 1.090 58 H CA 2.027 58.149 56.048 0.124 0.000 1.327 58 H CB 0.295 30.131 29.762 0.122 0.000 1.383 58 H HN 0.453 8.733 8.280 -0.000 0.000 0.508 59 E N 0.656 120.945 120.200 0.149 0.000 2.150 59 E HA -0.105 4.245 4.350 0.001 0.000 0.193 59 E C 2.301 178.938 176.600 0.062 0.000 0.985 59 E CA 1.445 57.891 56.400 0.077 0.000 0.814 59 E CB -0.120 29.640 29.700 0.100 0.000 0.752 59 E HN 0.720 9.080 8.360 -0.000 0.000 0.466 60 I N -2.895 117.756 120.570 0.136 0.000 3.783 60 I HA 0.186 4.357 4.170 0.001 0.000 0.310 60 I C 1.413 177.783 176.117 0.422 0.000 1.274 60 I CA 0.048 61.502 61.300 0.257 0.000 1.294 60 I CB 0.274 38.382 38.000 0.180 0.000 1.051 60 I HN 0.086 8.296 8.210 -0.000 0.000 0.435 61 Y N 1.047 121.447 120.300 0.167 0.000 3.032 61 Y HA 0.387 4.936 4.550 -0.001 0.000 0.232 61 Y C 2.178 178.146 175.900 0.113 0.000 1.099 61 Y CA 0.532 58.779 58.100 0.245 0.000 1.328 61 Y CB -0.313 38.266 38.460 0.198 0.000 1.432 61 Y HN -0.114 8.166 8.280 -0.000 0.000 0.433 62 G N 1.307 110.087 108.800 -0.034 0.000 2.442 62 G HA2 -0.259 3.701 3.960 0.001 0.000 0.219 62 G HA3 -0.259 3.701 3.960 0.001 0.000 0.219 62 G C 1.669 176.156 174.900 -0.688 0.000 1.141 62 G CA 1.237 46.171 45.100 -0.276 0.000 0.763 62 G HN 0.640 8.930 8.290 -0.000 0.000 0.554 63 A N 0.202 122.403 122.820 -1.031 0.000 2.024 63 A HA 0.112 4.433 4.320 0.001 0.000 0.220 63 A C 1.864 178.944 177.584 -0.840 0.000 1.164 63 A CA 1.249 52.648 52.037 -1.063 0.000 0.643 63 A CB -0.437 17.941 19.000 -1.037 0.000 0.806 63 A HN 0.361 8.511 8.150 -0.000 0.000 0.451 64 F N -0.920 118.776 119.950 -0.423 0.000 2.727 64 F HA 0.337 4.870 4.527 0.010 0.000 0.302 64 F C 0.539 175.974 175.800 -0.608 0.000 1.097 64 F CA -0.148 57.551 58.000 -0.501 0.000 1.330 64 F CB 0.081 38.714 39.000 -0.613 0.000 1.084 64 F HN -0.024 8.276 8.300 -0.000 0.000 0.578 65 L N -0.606 120.370 121.223 -0.410 0.000 2.235 65 L HA 0.536 4.877 4.340 0.001 0.000 0.260 65 L C -2.256 174.463 176.870 -0.252 0.000 1.025 65 L CA -1.931 52.702 54.840 -0.345 0.000 0.836 65 L CB 0.739 42.546 42.059 -0.421 0.000 1.395 65 L HN -0.278 7.952 8.230 -0.000 0.000 0.443 66 P HA 0.247 4.667 4.420 -0.000 0.000 0.274 66 P C -2.014 175.194 177.300 -0.152 0.000 1.256 66 P CA -0.917 62.088 63.100 -0.160 0.000 0.795 66 P CB 0.037 31.641 31.700 -0.160 0.000 1.038 67 P HA -0.046 4.374 4.420 -0.000 0.000 0.220 67 P C 0.318 177.546 177.300 -0.120 0.000 1.148 67 P CA 1.385 64.423 63.100 -0.104 0.000 0.803 67 P CB 0.297 31.953 31.700 -0.073 0.000 0.782 68 S N -2.029 113.601 115.700 -0.115 0.000 2.634 68 S HA 0.571 5.042 4.470 0.001 0.000 0.296 68 S C -2.737 171.791 174.600 -0.120 0.000 1.104 68 S CA -2.223 55.914 58.200 -0.106 0.000 0.920 68 S CB 0.454 63.602 63.200 -0.087 0.000 1.111 68 S HN -0.304 8.006 8.310 -0.000 0.000 0.493 69 P HA 0.163 4.583 4.420 -0.000 0.000 0.263 69 P C -2.479 174.662 177.300 -0.266 0.000 1.175 69 P CA -0.424 62.607 63.100 -0.115 0.000 0.761 69 P CB -0.312 31.367 31.700 -0.034 0.000 0.794 70 P HA 0.040 4.460 4.420 -0.000 0.000 0.269 70 P C -0.172 176.717 177.300 -0.685 0.000 1.215 70 P CA -0.002 62.683 63.100 -0.692 0.000 0.780 70 P CB 0.272 31.307 31.700 -1.108 0.000 0.898 71 N N 1.315 119.755 118.700 -0.434 0.000 2.895 71 N HA 0.017 4.758 4.740 0.001 0.000 0.277 71 N C 0.297 175.644 175.510 -0.272 0.000 1.185 71 N CA -0.145 52.746 53.050 -0.265 0.000 1.106 71 N CB -0.226 38.172 38.487 -0.148 0.000 1.422 71 N HN 0.335 8.715 8.380 -0.000 0.000 0.521 72 Y N 1.328 121.495 120.300 -0.221 0.000 2.274 72 Y HA -0.132 4.419 4.550 0.001 0.000 0.290 72 Y C 2.332 178.140 175.900 -0.154 0.000 1.145 72 Y CA 0.992 58.877 58.100 -0.357 0.000 1.203 72 Y CB -0.376 37.887 38.460 -0.329 0.000 0.984 72 Y HN 0.579 8.859 8.280 -0.000 0.000 0.533 73 A N 0.090 122.944 122.820 0.057 0.000 1.902 73 A HA -0.117 4.204 4.320 0.001 0.000 0.217 73 A C 2.484 180.038 177.584 -0.050 0.000 1.181 73 A CA 1.815 53.870 52.037 0.029 0.000 0.623 73 A CB -1.129 17.878 19.000 0.013 0.000 0.818 73 A HN 0.387 8.537 8.150 -0.000 0.000 0.443 74 A N -0.136 122.622 122.820 -0.103 0.000 1.873 74 A HA 0.007 4.328 4.320 0.001 0.000 0.215 74 A C 2.158 179.523 177.584 -0.366 0.000 1.186 74 A CA 1.376 53.264 52.037 -0.249 0.000 0.616 74 A CB -0.620 18.312 19.000 -0.114 0.000 0.823 74 A HN 0.465 8.615 8.150 -0.000 0.000 0.442 75 L N -0.726 120.452 121.223 -0.076 0.000 2.012 75 L HA -0.213 4.128 4.340 0.001 0.000 0.210 75 L C 2.652 179.630 176.870 0.179 0.000 1.073 75 L CA 1.308 56.217 54.840 0.115 0.000 0.748 75 L CB -0.665 41.435 42.059 0.068 0.000 0.891 75 L HN 0.376 8.606 8.230 -0.000 0.000 0.431 76 L N -0.708 120.642 121.223 0.212 0.000 2.046 76 L HA -0.210 4.131 4.340 0.001 0.000 0.208 76 L C 2.987 179.886 176.870 0.048 0.000 1.077 76 L CA 1.159 56.117 54.840 0.198 0.000 0.747 76 L CB -0.367 41.811 42.059 0.198 0.000 0.896 76 L HN 0.243 8.473 8.230 -0.000 0.000 0.432 77 R N -0.872 119.584 120.500 -0.074 0.000 2.094 77 R HA -0.217 4.124 4.340 0.001 0.000 0.239 77 R C 2.266 178.529 176.300 -0.062 0.000 1.137 77 R CA 1.719 57.746 56.100 -0.122 0.000 0.943 77 R CB -0.533 29.618 30.300 -0.247 0.000 0.850 77 R HN 0.501 8.771 8.270 -0.000 0.000 0.433 78 H N 0.343 119.453 119.070 0.067 0.000 2.387 78 H HA -0.124 4.432 4.556 0.001 0.000 0.299 78 H C 2.145 177.509 175.328 0.059 0.000 1.090 78 H CA 1.057 57.139 56.048 0.058 0.000 1.332 78 H CB -0.433 29.366 29.762 0.062 0.000 1.386 78 H HN 0.220 8.500 8.280 -0.000 0.000 0.516 79 L N 0.718 122.045 121.223 0.173 0.000 2.027 79 L HA -0.165 4.176 4.340 0.001 0.000 0.206 79 L C 1.886 178.796 176.870 0.066 0.000 1.074 79 L CA 1.348 56.255 54.840 0.112 0.000 0.745 79 L CB -0.100 42.014 42.059 0.092 0.000 0.898 79 L HN 0.083 8.313 8.230 -0.000 0.000 0.433 80 D N -0.454 119.978 120.400 0.053 0.000 2.123 80 D HA -0.171 4.470 4.640 0.001 0.000 0.196 80 D C 2.322 178.643 176.300 0.035 0.000 0.992 80 D CA 1.589 55.608 54.000 0.031 0.000 0.833 80 D CB -0.058 40.756 40.800 0.022 0.000 0.954 80 D HN 0.290 8.660 8.370 -0.000 0.000 0.455 81 S N 0.726 116.458 115.700 0.054 0.000 2.359 81 S HA -0.186 4.285 4.470 0.001 0.000 0.224 81 S C 2.129 176.754 174.600 0.042 0.000 1.035 81 S CA 1.321 59.553 58.200 0.054 0.000 1.018 81 S CB -0.296 62.954 63.200 0.083 0.000 0.876 81 S HN 0.393 8.703 8.310 -0.000 0.000 0.448 82 A N 1.195 124.045 122.820 0.050 0.000 1.858 82 A HA -0.042 4.278 4.320 0.001 0.000 0.216 82 A C 2.398 179.991 177.584 0.014 0.000 1.190 82 A CA 1.638 53.694 52.037 0.032 0.000 0.617 82 A CB -1.010 18.014 19.000 0.040 0.000 0.827 82 A HN 0.334 8.483 8.150 -0.000 0.000 0.443 83 V N 0.792 120.713 119.914 0.011 0.000 2.295 83 V HA -0.227 3.894 4.120 0.001 0.000 0.246 83 V C 1.919 178.011 176.094 -0.002 0.000 1.049 83 V CA 2.307 64.605 62.300 -0.003 0.000 1.024 83 V CB -0.906 30.912 31.823 -0.008 0.000 0.648 83 V HN 0.491 8.681 8.190 -0.000 0.000 0.447 84 D N 0.186 120.589 120.400 0.005 0.000 2.384 84 D HA -0.031 4.610 4.640 0.001 0.000 0.222 84 D C 1.644 177.946 176.300 0.004 0.000 0.976 84 D CA 1.236 55.239 54.000 0.004 0.000 0.915 84 D CB -0.029 40.776 40.800 0.009 0.000 0.896 84 D HN 0.498 8.868 8.370 -0.000 0.000 0.523 85 A N -0.763 122.060 122.820 0.004 0.000 2.343 85 A HA 0.490 4.811 4.320 0.001 0.000 0.223 85 A C 1.702 179.283 177.584 -0.004 0.000 1.214 85 A CA 0.562 52.600 52.037 0.002 0.000 0.900 85 A CB 0.088 19.093 19.000 0.007 0.000 0.942 85 A HN 0.132 8.282 8.150 -0.000 0.000 0.507 86 G N 0.412 109.207 108.800 -0.008 0.000 2.249 86 G HA2 -0.270 3.691 3.960 0.001 0.000 0.273 86 G HA3 -0.270 3.691 3.960 0.001 0.000 0.273 86 G C -0.181 174.708 174.900 -0.019 0.000 1.036 86 G CA 0.610 45.700 45.100 -0.016 0.000 0.824 86 G HN 0.687 8.977 8.290 -0.000 0.000 0.504 87 D N -0.419 119.972 120.400 -0.015 0.000 2.454 87 D HA 0.518 5.159 4.640 0.001 0.000 0.225 87 D C 1.179 177.464 176.300 -0.025 0.000 1.081 87 D CA -0.558 53.432 54.000 -0.017 0.000 0.864 87 D CB 0.531 41.327 40.800 -0.007 0.000 1.040 87 D HN 0.051 8.421 8.370 -0.000 0.000 0.517 88 D N 2.327 122.703 120.400 -0.041 0.000 2.133 88 D HA -0.189 4.452 4.640 0.001 0.000 0.195 88 D C 1.425 177.690 176.300 -0.059 0.000 0.997 88 D CA 1.157 55.118 54.000 -0.065 0.000 0.840 88 D CB 0.230 40.980 40.800 -0.084 0.000 0.947 88 D HN 0.602 8.972 8.370 -0.000 0.000 0.452 89 E N 0.084 120.261 120.200 -0.038 0.000 2.051 89 E HA -0.174 4.177 4.350 0.001 0.000 0.192 89 E C 2.141 178.743 176.600 0.004 0.000 0.991 89 E CA 1.030 57.419 56.400 -0.018 0.000 0.799 89 E CB -0.116 29.579 29.700 -0.008 0.000 0.748 89 E HN 0.274 8.633 8.360 -0.000 0.000 0.449 90 A N 0.897 123.720 122.820 0.005 0.000 1.902 90 A HA -0.139 4.182 4.320 0.001 0.000 0.217 90 A C 2.501 180.106 177.584 0.035 0.000 1.181 90 A CA 1.152 53.201 52.037 0.021 0.000 0.623 90 A CB -0.638 18.373 19.000 0.019 0.000 0.818 90 A HN 0.109 8.259 8.150 -0.000 0.000 0.443 91 V N 0.543 120.467 119.914 0.017 0.000 2.255 91 V HA -0.293 3.828 4.120 0.001 0.000 0.247 91 V C 2.716 178.845 176.094 0.058 0.000 1.051 91 V CA 2.193 64.506 62.300 0.022 0.000 1.018 91 V CB -0.865 30.944 31.823 -0.023 0.000 0.641 91 V HN 0.499 8.689 8.190 -0.000 0.000 0.445 92 R N 0.297 120.815 120.500 0.031 0.000 2.083 92 R HA -0.165 4.176 4.340 0.001 0.000 0.237 92 R C 2.425 178.873 176.300 0.247 0.000 1.137 92 R CA 1.714 57.891 56.100 0.129 0.000 0.951 92 R CB -1.070 29.238 30.300 0.014 0.000 0.851 92 R HN 0.558 8.828 8.270 -0.000 0.000 0.434 93 A N 1.392 124.297 122.820 0.141 0.000 1.877 93 A HA -0.079 4.242 4.320 0.001 0.000 0.216 93 A C 2.448 180.099 177.584 0.113 0.000 1.186 93 A CA 1.849 53.956 52.037 0.116 0.000 0.620 93 A CB -0.633 18.404 19.000 0.062 0.000 0.822 93 A HN 0.379 8.529 8.150 -0.000 0.000 0.443 94 A N -0.458 122.428 122.820 0.111 0.000 1.972 94 A HA -0.018 4.303 4.320 0.001 0.000 0.219 94 A C 2.144 179.829 177.584 0.167 0.000 1.169 94 A CA 1.486 53.603 52.037 0.134 0.000 0.635 94 A CB -0.541 18.547 19.000 0.147 0.000 0.810 94 A HN 0.485 8.635 8.150 -0.000 0.000 0.446 95 L N -0.952 120.381 121.223 0.184 0.000 2.109 95 L HA -0.093 4.248 4.340 0.001 0.000 0.207 95 L C 2.463 179.428 176.870 0.157 0.000 1.086 95 L CA 0.704 55.664 54.840 0.200 0.000 0.760 95 L CB -0.457 41.776 42.059 0.288 0.000 0.910 95 L HN 0.354 8.584 8.230 -0.000 0.000 0.437 96 L N -0.660 120.653 121.223 0.150 0.000 2.056 96 L HA -0.160 4.181 4.340 0.001 0.000 0.207 96 L C 2.832 179.734 176.870 0.054 0.000 1.078 96 L CA 1.161 56.034 54.840 0.054 0.000 0.749 96 L CB -0.443 41.657 42.059 0.068 0.000 0.901 96 L HN 0.178 8.408 8.230 -0.000 0.000 0.433 97 R N 0.253 120.800 120.500 0.078 0.000 2.073 97 R HA -0.041 4.300 4.340 0.001 0.000 0.234 97 R C 1.345 177.699 176.300 0.090 0.000 1.134 97 R CA 0.838 56.977 56.100 0.065 0.000 0.952 97 R CB -0.474 29.861 30.300 0.058 0.000 0.850 97 R HN 0.324 8.594 8.270 -0.000 0.000 0.433 101 V N 2.494 122.438 119.914 0.050 0.000 2.515 101 V HA 0.080 4.201 4.120 0.001 0.000 0.250 101 V C 1.314 177.432 176.094 0.041 0.000 1.058 101 V CA 1.620 63.928 62.300 0.013 0.000 1.064 101 V CB -0.722 31.080 31.823 -0.035 0.000 0.675 101 V HN 0.712 8.902 8.190 -0.000 0.000 0.461 102 H N -0.030 119.046 119.070 0.011 0.000 2.604 102 H HA 0.194 4.752 4.556 0.003 0.000 0.306 102 H C 0.907 176.248 175.328 0.021 0.000 1.075 102 H CA -0.603 55.459 56.048 0.023 0.000 1.357 102 H CB 1.443 31.230 29.762 0.042 0.000 1.426 102 H HN 0.053 8.333 8.280 -0.000 0.000 0.470 103 I N 3.411 123.978 120.570 -0.006 0.000 2.145 103 I HA -0.346 3.824 4.170 0.001 0.000 0.244 103 I C 2.451 178.670 176.117 0.171 0.000 1.075 103 I CA 1.318 62.669 61.300 0.086 0.000 1.332 103 I CB -0.674 37.382 38.000 0.093 0.000 1.033 103 I HN 0.531 8.741 8.210 -0.000 0.000 0.410 104 S N -0.178 115.703 115.700 0.302 0.000 2.356 104 S HA -0.201 4.270 4.470 0.001 0.000 0.223 104 S C 2.090 176.702 174.600 0.020 0.000 1.032 104 S CA 2.005 60.279 58.200 0.123 0.000 1.005 104 S CB -0.830 62.373 63.200 0.005 0.000 0.867 104 S HN 0.697 9.007 8.310 -0.000 0.000 0.449 105 T N 0.877 115.453 114.554 0.036 0.000 2.867 105 T HA -0.035 4.316 4.350 0.001 0.000 0.268 105 T C 1.711 176.383 174.700 -0.048 0.000 1.057 105 T CA 1.068 63.128 62.100 -0.068 0.000 1.136 105 T CB -0.261 68.564 68.868 -0.071 0.000 0.874 105 T HN 0.278 8.518 8.240 -0.000 0.000 0.466 106 R N 1.505 122.015 120.500 0.017 0.000 2.091 106 R HA -0.105 4.236 4.340 0.001 0.000 0.238 106 R C 2.389 178.677 176.300 -0.020 0.000 1.136 106 R CA 1.692 57.793 56.100 0.001 0.000 0.959 106 R CB -0.269 30.048 30.300 0.027 0.000 0.856 106 R HN 0.558 8.828 8.270 -0.000 0.000 0.437 107 E N -0.623 119.568 120.200 -0.015 0.000 2.204 107 E HA -0.209 4.141 4.350 0.001 0.000 0.195 107 E C 1.934 178.500 176.600 -0.057 0.000 0.990 107 E CA 0.939 57.326 56.400 -0.021 0.000 0.821 107 E CB -0.000 29.693 29.700 -0.011 0.000 0.750 107 E HN 0.262 8.622 8.360 -0.000 0.000 0.477 108 R N 0.458 120.883 120.500 -0.126 0.000 2.254 108 R HA 0.080 4.421 4.340 0.001 0.000 0.195 108 R C 2.027 178.233 176.300 -0.157 0.000 0.957 108 R CA 0.002 55.980 56.100 -0.204 0.000 1.024 108 R CB 0.180 30.233 30.300 -0.412 0.000 0.952 108 R HN 0.121 8.391 8.270 -0.000 0.000 0.484 109 L N 0.914 122.055 121.223 -0.136 0.000 2.081 109 L HA -0.129 4.211 4.340 0.001 0.000 0.212 109 L C -0.689 176.111 176.870 -0.116 0.000 1.080 109 L CA 1.407 56.156 54.840 -0.152 0.000 0.754 109 L CB -1.348 40.638 42.059 -0.120 0.000 0.893 109 L HN 0.154 8.384 8.230 -0.000 0.000 0.433 110 P HA -0.122 4.298 4.420 -0.000 0.000 0.225 110 P C 0.763 177.864 177.300 -0.331 0.000 1.148 110 P CA 1.348 64.355 63.100 -0.154 0.000 0.779 110 P CB 0.055 31.699 31.700 -0.094 0.000 0.780 111 H N -2.931 116.106 119.070 -0.055 0.000 2.750 111 H HA 0.179 4.735 4.556 0.001 0.000 0.252 111 H C 1.295 176.617 175.328 -0.009 0.000 1.176 111 H CA -0.472 55.569 56.048 -0.012 0.000 0.987 111 H CB 0.304 30.068 29.762 0.003 0.000 1.810 111 H HN -0.005 8.275 8.280 -0.000 0.000 0.630 112 L N 1.438 122.650 121.223 -0.018 0.000 1.997 112 L HA -0.192 4.149 4.340 0.001 0.000 0.216 112 L C 2.050 178.981 176.870 0.101 0.000 1.074 112 L CA 1.992 56.776 54.840 -0.093 0.000 0.763 112 L CB -0.378 41.435 42.059 -0.410 0.000 0.890 112 L HN 0.239 8.469 8.230 -0.000 0.000 0.434 113 D N -0.961 119.542 120.400 0.171 0.000 2.097 113 D HA -0.246 4.395 4.640 0.001 0.000 0.195 113 D C 2.044 178.521 176.300 0.295 0.000 0.989 113 D CA 1.405 55.631 54.000 0.377 0.000 0.827 113 D CB 0.142 41.166 40.800 0.374 0.000 0.966 113 D HN 0.593 8.963 8.370 -0.000 0.000 0.456 114 E N -0.583 119.751 120.200 0.222 0.000 2.085 114 E HA -0.205 4.145 4.350 0.001 0.000 0.194 114 E C 2.186 178.888 176.600 0.170 0.000 0.994 114 E CA 0.678 57.190 56.400 0.186 0.000 0.801 114 E CB -0.322 29.492 29.700 0.189 0.000 0.743 114 E HN 0.209 8.569 8.360 -0.000 0.000 0.453 115 F N 0.240 120.194 119.950 0.006 0.000 2.046 115 F HA -0.269 4.259 4.527 0.002 0.000 0.297 115 F C 1.865 177.571 175.800 -0.157 0.000 1.123 115 F CA 1.852 59.763 58.000 -0.147 0.000 1.199 115 F CB -0.449 38.362 39.000 -0.316 0.000 0.972 115 F HN 0.097 8.397 8.300 -0.000 0.000 0.474 116 Y N 0.016 120.491 120.300 0.292 0.000 2.395 116 Y HA -0.030 4.521 4.550 0.001 0.000 0.293 116 Y C 2.630 178.687 175.900 0.262 0.000 1.123 116 Y CA 1.311 59.580 58.100 0.281 0.000 1.227 116 Y CB -0.780 37.961 38.460 0.468 0.000 1.012 116 Y HN 0.045 8.325 8.280 -0.000 0.000 0.552 117 R N 0.376 121.070 120.500 0.324 0.000 2.075 117 R HA -0.202 4.139 4.340 0.001 0.000 0.232 117 R C 2.081 178.452 176.300 0.119 0.000 1.126 117 R CA 1.821 58.054 56.100 0.222 0.000 0.963 117 R CB -0.065 30.336 30.300 0.168 0.000 0.858 117 R HN 0.196 8.466 8.270 -0.000 0.000 0.435 118 E N 0.729 120.954 120.200 0.042 0.000 2.072 118 E HA -0.125 4.226 4.350 0.001 0.000 0.190 118 E C 1.958 178.511 176.600 -0.078 0.000 0.982 118 E CA 0.945 57.327 56.400 -0.031 0.000 0.803 118 E CB -0.320 29.365 29.700 -0.026 0.000 0.755 118 E HN 0.332 8.692 8.360 -0.000 0.000 0.453 119 L N -0.428 120.690 121.223 -0.176 0.000 1.990 119 L HA -0.185 4.156 4.340 0.001 0.000 0.213 119 L C 1.793 178.505 176.870 -0.263 0.000 1.072 119 L CA 1.528 56.188 54.840 -0.299 0.000 0.755 119 L CB -0.296 41.419 42.059 -0.573 0.000 0.889 119 L HN 0.229 8.459 8.230 -0.000 0.000 0.432 120 F N -0.292 119.657 119.950 -0.001 0.000 2.699 120 F HA -0.050 4.478 4.527 0.002 0.000 0.298 120 F C 2.413 178.173 175.800 -0.065 0.000 1.154 120 F CA 0.549 58.549 58.000 0.000 0.000 1.457 120 F CB -0.267 38.756 39.000 0.039 0.000 1.106 120 F HN 0.001 8.301 8.300 -0.000 0.000 0.585 121 R N -1.025 119.438 120.500 -0.062 0.000 2.236 121 R HA -0.010 4.331 4.340 0.001 0.000 0.208 121 R C 0.810 176.897 176.300 -0.356 0.000 1.036 121 R CA 0.721 56.686 56.100 -0.225 0.000 1.001 121 R CB -0.181 29.896 30.300 -0.372 0.000 0.896 121 R HN 0.341 8.611 8.270 -0.000 0.000 0.464 122 H N -0.662 118.394 119.070 -0.022 0.000 2.542 122 H HA 0.293 4.850 4.556 0.001 0.000 0.283 122 H C -0.038 175.264 175.328 -0.042 0.000 1.059 122 H CA 0.181 56.206 56.048 -0.038 0.000 1.162 122 H CB 0.449 30.169 29.762 -0.070 0.000 1.539 122 H HN 0.017 8.297 8.280 -0.000 0.000 0.543 123 L N 1.785 123.030 121.223 0.037 0.000 2.371 123 L HA 0.405 4.746 4.340 0.001 0.000 0.262 123 L C -2.087 174.837 176.870 0.089 0.000 1.006 123 L CA -1.949 52.914 54.840 0.039 0.000 0.818 123 L CB 2.804 44.841 42.059 -0.036 0.000 1.354 123 L HN -0.032 8.198 8.230 -0.000 0.000 0.415 124 P HA 0.212 4.632 4.420 -0.000 0.000 0.276 124 P C -1.166 176.197 177.300 0.106 0.000 1.261 124 P CA -0.735 62.410 63.100 0.075 0.000 0.800 124 P CB 0.617 32.349 31.700 0.052 0.000 1.066 125 R N 1.602 122.145 120.500 0.072 0.000 2.351 125 R HA 0.244 4.585 4.340 0.001 0.000 0.318 125 R C -1.726 174.605 176.300 0.052 0.000 1.055 125 R CA -1.476 54.658 56.100 0.056 0.000 0.968 125 R CB -1.027 29.285 30.300 0.020 0.000 0.974 125 R HN 0.476 8.746 8.270 -0.000 0.000 0.439 126 P HA 0.182 4.602 4.420 -0.000 0.000 0.280 126 P C -0.258 177.050 177.300 0.013 0.000 1.244 126 P CA -0.454 62.676 63.100 0.050 0.000 0.784 126 P CB 1.090 32.846 31.700 0.093 0.000 0.913 127 N N 0.596 119.302 118.700 0.009 0.000 2.402 127 N HA 0.038 4.779 4.740 0.001 0.000 0.174 127 N C -0.011 175.497 175.510 -0.004 0.000 1.027 127 N CA 0.939 53.989 53.050 0.001 0.000 0.891 127 N CB 0.350 38.838 38.487 0.002 0.000 1.016 127 N HN 0.428 8.808 8.380 -0.000 0.000 0.439 128 T N 0.727 115.276 114.554 -0.009 0.000 2.971 128 T HA 0.420 4.771 4.350 0.001 0.000 0.304 128 T C -1.063 173.606 174.700 -0.052 0.000 1.038 128 T CA -0.512 61.574 62.100 -0.024 0.000 1.007 128 T CB 2.305 71.163 68.868 -0.017 0.000 1.055 128 T HN -0.067 8.173 8.240 -0.000 0.000 0.451 129 L N 3.587 124.739 121.223 -0.119 0.000 2.325 129 L HA 0.711 5.052 4.340 0.001 0.000 0.281 129 L C -0.301 176.386 176.870 -0.305 0.000 1.004 129 L CA -0.839 53.871 54.840 -0.216 0.000 0.823 129 L CB 1.103 42.963 42.059 -0.332 0.000 1.236 129 L HN 0.543 8.773 8.230 -0.000 0.000 0.415 130 R N 3.304 123.688 120.500 -0.194 0.000 2.338 130 R HA 0.334 4.675 4.340 0.001 0.000 0.317 130 R C -1.352 174.873 176.300 -0.126 0.000 0.968 130 R CA -0.536 55.482 56.100 -0.136 0.000 0.849 130 R CB 1.196 31.457 30.300 -0.064 0.000 1.128 130 R HN 0.518 8.788 8.270 -0.000 0.000 0.448 131 D N 5.567 125.926 120.400 -0.069 0.000 2.461 131 D HA 0.240 4.881 4.640 0.001 0.000 0.240 131 D C -0.692 175.630 176.300 0.036 0.000 1.094 131 D CA -0.374 53.637 54.000 0.017 0.000 0.868 131 D CB 0.819 41.728 40.800 0.181 0.000 1.062 131 D HN 0.461 8.831 8.370 -0.000 0.000 0.530 132 L N 1.957 123.179 121.223 -0.001 0.000 2.357 132 L HA 0.537 4.878 4.340 0.001 0.000 0.273 132 L C 1.297 178.158 176.870 -0.015 0.000 1.080 132 L CA -1.004 53.832 54.840 -0.006 0.000 0.803 132 L CB 1.294 43.338 42.059 -0.025 0.000 1.174 132 L HN 0.563 8.793 8.230 -0.000 0.000 0.443 133 A N 0.997 123.814 122.820 -0.004 0.000 2.704 133 A HA -0.253 4.067 4.320 0.001 0.000 0.299 133 A C 1.626 179.191 177.584 -0.031 0.000 1.507 133 A CA 0.861 52.893 52.037 -0.008 0.000 0.776 133 A CB -2.131 16.850 19.000 -0.032 0.000 1.027 133 A HN 1.136 9.286 8.150 -0.000 0.000 0.475 134 C N -2.173 117.124 119.300 -0.005 0.000 2.403 134 C HA 0.325 4.786 4.460 0.001 0.000 0.279 134 C C 2.573 177.503 174.990 -0.100 0.000 1.269 134 C CA 0.820 59.831 59.018 -0.012 0.000 1.774 134 C CB -1.751 26.021 27.740 0.054 0.000 1.993 134 C HN 2.729 10.960 8.230 -0.000 0.000 0.496 135 G N 1.059 109.787 108.800 -0.121 0.000 2.574 135 G HA2 -0.297 3.664 3.960 0.001 0.000 0.286 135 G HA3 -0.297 3.664 3.960 0.001 0.000 0.286 135 G C 0.181 174.950 174.900 -0.218 0.000 1.212 135 G CA 0.449 45.339 45.100 -0.351 0.000 0.979 135 G HN 0.830 9.120 8.290 -0.000 0.000 0.557 136 L N 1.834 122.877 121.223 -0.300 0.000 2.700 136 L HA 0.205 4.546 4.340 0.001 0.000 0.234 136 L C 2.346 179.174 176.870 -0.069 0.000 1.156 136 L CA 0.502 55.305 54.840 -0.062 0.000 0.946 136 L CB -0.291 41.811 42.059 0.072 0.000 1.216 136 L HN 0.689 8.919 8.230 -0.000 0.000 0.493 137 N N 1.587 120.232 118.700 -0.092 0.000 2.205 137 N HA -0.155 4.586 4.740 0.001 0.000 0.186 137 N C -0.842 174.670 175.510 0.004 0.000 1.015 137 N CA 1.150 54.193 53.050 -0.012 0.000 0.862 137 N CB -0.187 38.324 38.487 0.041 0.000 0.986 137 N HN 0.194 8.574 8.380 -0.000 0.000 0.429 138 P HA -0.073 4.347 4.420 -0.000 0.000 0.221 138 P C 1.228 178.337 177.300 -0.318 0.000 1.145 138 P CA 0.613 63.503 63.100 -0.350 0.000 0.795 138 P CB 0.019 31.412 31.700 -0.512 0.000 0.775 139 L N -1.783 119.338 121.223 -0.170 0.000 2.362 139 L HA -0.052 4.289 4.340 0.001 0.000 0.219 139 L C 1.581 178.474 176.870 0.039 0.000 1.134 139 L CA 0.770 55.553 54.840 -0.094 0.000 0.807 139 L CB -1.427 40.613 42.059 -0.032 0.000 0.927 139 L HN -0.091 8.139 8.230 -0.000 0.000 0.447 140 A N -1.689 121.149 122.820 0.029 0.000 2.495 140 A HA 0.596 4.917 4.320 0.001 0.000 0.260 140 A C 1.456 179.126 177.584 0.144 0.000 1.608 140 A CA 0.631 52.762 52.037 0.155 0.000 0.834 140 A CB -0.138 18.909 19.000 0.078 0.000 1.526 140 A HN 0.467 8.617 8.150 -0.000 0.000 0.578 141 A N -3.485 119.393 122.820 0.097 0.000 2.315 141 A HA -0.113 4.208 4.320 0.001 0.000 0.214 141 A C -0.640 176.955 177.584 0.018 0.000 0.645 141 A CA 1.109 53.147 52.037 0.001 0.000 1.397 141 A CB -2.614 16.368 19.000 -0.030 0.000 1.306 141 A HN 0.512 8.662 8.150 -0.000 0.000 0.690 142 P HA -0.067 4.353 4.420 -0.000 0.000 0.222 142 P C 0.759 177.953 177.300 -0.177 0.000 1.147 142 P CA 1.145 64.157 63.100 -0.147 0.000 0.790 142 P CB -0.024 31.491 31.700 -0.308 0.000 0.780 146 L N 0.625 121.671 121.223 -0.294 0.000 2.452 146 L HA 0.343 4.683 4.340 0.001 0.000 0.267 146 L C -1.624 175.157 176.870 -0.148 0.000 1.188 146 L CA -1.603 53.079 54.840 -0.264 0.000 0.821 146 L CB 0.319 42.268 42.059 -0.184 0.000 1.102 146 L HN 0.004 8.234 8.230 -0.000 0.000 0.470 147 P HA 0.035 4.455 4.420 -0.000 0.000 0.269 147 P C 0.136 177.404 177.300 -0.054 0.000 1.215 147 P CA -0.108 62.950 63.100 -0.069 0.000 0.780 147 P CB 0.806 32.478 31.700 -0.047 0.000 0.898 148 A N 2.466 125.259 122.820 -0.043 0.000 1.948 148 A HA -0.219 4.102 4.320 0.001 0.000 0.220 148 A C 1.727 179.299 177.584 -0.019 0.000 1.177 148 A CA 1.591 53.608 52.037 -0.034 0.000 0.636 148 A CB -0.774 18.208 19.000 -0.030 0.000 0.815 148 A HN 0.550 8.700 8.150 -0.000 0.000 0.449 149 E N 0.012 120.203 120.200 -0.016 0.000 2.435 149 E HA 0.006 4.356 4.350 0.001 0.000 0.195 149 E C 0.188 176.789 176.600 0.002 0.000 1.029 149 E CA 0.206 56.602 56.400 -0.006 0.000 0.865 149 E CB -0.567 29.129 29.700 -0.007 0.000 0.833 149 E HN 0.464 8.824 8.360 -0.000 0.000 0.510 150 T N 1.804 116.356 114.554 -0.003 0.000 2.891 150 T HA 0.044 4.395 4.350 0.001 0.000 0.296 150 T C 0.292 175.013 174.700 0.036 0.000 1.025 150 T CA 0.181 62.284 62.100 0.005 0.000 1.149 150 T CB 0.853 69.713 68.868 -0.012 0.000 1.007 150 T HN -0.208 8.032 8.240 -0.000 0.000 0.528 151 V N 4.997 124.933 119.914 0.035 0.000 2.383 151 V HA 0.236 4.357 4.120 0.001 0.000 0.275 151 V C -0.316 175.833 176.094 0.092 0.000 1.036 151 V CA -0.867 61.475 62.300 0.070 0.000 0.889 151 V CB 0.532 32.379 31.823 0.039 0.000 0.985 151 V HN 0.782 8.972 8.190 -0.000 0.000 0.459 152 Y N 5.413 125.741 120.300 0.047 0.000 2.383 152 Y HA 0.541 5.091 4.550 0.001 0.000 0.344 152 Y C -0.238 175.698 175.900 0.060 0.000 0.986 152 Y CA -0.534 57.593 58.100 0.045 0.000 1.175 152 Y CB 0.999 39.475 38.460 0.027 0.000 1.152 152 Y HN 0.518 8.798 8.280 -0.000 0.000 0.511 153 I N 6.132 126.778 120.570 0.127 0.000 2.328 153 I HA 0.485 4.656 4.170 0.001 0.000 0.287 153 I C -0.254 175.966 176.117 0.171 0.000 1.012 153 I CA -0.241 61.140 61.300 0.135 0.000 1.195 153 I CB 1.107 39.129 38.000 0.037 0.000 1.350 153 I HN 0.632 8.842 8.210 -0.000 0.000 0.464 154 A N 4.803 127.765 122.820 0.236 0.000 2.365 154 A HA 0.961 5.282 4.320 0.001 0.000 0.318 154 A C -0.408 177.240 177.584 0.106 0.000 1.091 154 A CA -0.387 51.773 52.037 0.205 0.000 0.763 154 A CB 1.386 20.533 19.000 0.245 0.000 1.248 154 A HN 0.674 8.824 8.150 -0.000 0.000 0.442 155 S N 0.931 116.677 115.700 0.077 0.000 2.550 155 S HA 0.834 5.305 4.470 0.001 0.000 0.270 155 S C -1.307 173.319 174.600 0.044 0.000 1.145 155 S CA -0.589 57.641 58.200 0.050 0.000 0.852 155 S CB 2.248 65.470 63.200 0.036 0.000 1.119 155 S HN 0.828 9.138 8.310 -0.000 0.000 0.465 156 D N -0.483 119.943 120.400 0.043 0.000 2.838 156 D HA 0.395 5.036 4.640 0.001 0.000 0.334 156 D C -0.686 175.637 176.300 0.039 0.000 1.315 156 D CA -0.525 53.507 54.000 0.053 0.000 0.917 156 D CB 1.622 42.474 40.800 0.085 0.000 1.435 156 D HN 0.459 8.829 8.370 -0.000 0.000 0.517 157 I N 0.898 121.492 120.570 0.040 0.000 3.875 157 I HA 0.189 4.360 4.170 0.001 0.000 0.329 157 I C -0.450 175.603 176.117 -0.108 0.000 1.295 157 I CA 0.316 61.600 61.300 -0.027 0.000 1.129 157 I CB 0.066 38.046 38.000 -0.034 0.000 1.008 157 I HN 0.196 8.406 8.210 -0.000 0.000 0.413 158 D N -0.843 119.529 120.400 -0.045 0.000 2.593 158 D HA 0.494 5.135 4.640 0.001 0.000 0.251 158 D C 1.055 177.372 176.300 0.029 0.000 1.140 158 D CA -0.025 53.943 54.000 -0.054 0.000 0.855 158 D CB 1.687 42.486 40.800 -0.002 0.000 1.267 158 D HN 0.040 8.410 8.370 -0.000 0.000 0.532 159 A N 4.078 126.908 122.820 0.017 0.000 1.908 159 A HA -0.195 4.126 4.320 0.001 0.000 0.218 159 A C 2.005 179.604 177.584 0.025 0.000 1.181 159 A CA 1.279 53.329 52.037 0.023 0.000 0.627 159 A CB -0.268 18.744 19.000 0.020 0.000 0.818 159 A HN 0.689 8.839 8.150 -0.000 0.000 0.445 160 R N -1.000 119.532 120.500 0.052 0.000 2.075 160 R HA -0.006 4.335 4.340 0.001 0.000 0.232 160 R C 2.296 178.508 176.300 -0.146 0.000 1.126 160 R CA 1.305 57.414 56.100 0.014 0.000 0.963 160 R CB -0.530 29.867 30.300 0.161 0.000 0.858 160 R HN 0.627 8.897 8.270 -0.000 0.000 0.435 161 L N 0.774 122.008 121.223 0.019 0.000 2.017 161 L HA -0.179 4.162 4.340 0.001 0.000 0.208 161 L C 2.083 178.962 176.870 0.015 0.000 1.073 161 L CA 1.408 56.273 54.840 0.042 0.000 0.745 161 L CB -0.214 42.022 42.059 0.295 0.000 0.894 161 L HN -0.026 8.204 8.230 -0.000 0.000 0.432 162 V N 0.463 120.396 119.914 0.032 0.000 2.407 162 V HA -0.207 3.914 4.120 0.001 0.000 0.248 162 V C 2.675 178.756 176.094 -0.023 0.000 1.055 162 V CA 1.771 64.079 62.300 0.013 0.000 1.049 162 V CB -1.329 30.509 31.823 0.026 0.000 0.662 162 V HN 0.693 8.883 8.190 -0.000 0.000 0.455 163 G N -0.828 107.952 108.800 -0.033 0.000 2.422 163 G HA2 -0.312 3.649 3.960 0.001 0.000 0.218 163 G HA3 -0.312 3.649 3.960 0.001 0.000 0.218 163 G C 1.530 176.394 174.900 -0.060 0.000 1.146 163 G CA 0.952 46.030 45.100 -0.036 0.000 0.769 163 G HN 0.517 8.807 8.290 -0.000 0.000 0.547 164 F N 1.216 120.991 119.950 -0.292 0.000 2.186 164 F HA 0.027 4.555 4.527 0.001 0.000 0.299 164 F C 2.506 178.195 175.800 -0.185 0.000 1.090 164 F CA 0.863 58.674 58.000 -0.315 0.000 1.307 164 F CB -0.205 38.396 39.000 -0.664 0.000 1.019 164 F HN -0.002 8.298 8.300 -0.000 0.000 0.489 165 V N 0.513 120.239 119.914 -0.313 0.000 2.427 165 V HA -0.270 3.850 4.120 0.001 0.000 0.248 165 V C 2.382 178.253 176.094 -0.372 0.000 1.051 165 V CA 2.256 64.330 62.300 -0.377 0.000 1.048 165 V CB -0.657 31.062 31.823 -0.173 0.000 0.666 165 V HN 0.404 8.594 8.190 -0.000 0.000 0.456 166 D N -0.031 120.242 120.400 -0.213 0.000 2.097 166 D HA -0.190 4.451 4.640 0.001 0.000 0.195 166 D C 2.102 178.294 176.300 -0.180 0.000 0.989 166 D CA 1.548 55.483 54.000 -0.108 0.000 0.827 166 D CB 0.129 40.962 40.800 0.057 0.000 0.966 166 D HN 0.605 8.975 8.370 -0.000 0.000 0.456 167 E N 0.458 120.545 120.200 -0.189 0.000 2.077 167 E HA -0.142 4.209 4.350 0.001 0.000 0.193 167 E C 2.172 178.609 176.600 -0.272 0.000 0.989 167 E CA 0.950 57.249 56.400 -0.168 0.000 0.800 167 E CB -0.089 29.546 29.700 -0.110 0.000 0.746 167 E HN 0.253 8.613 8.360 -0.000 0.000 0.452 168 A N 1.323 123.864 122.820 -0.464 0.000 1.902 168 A HA -0.152 4.169 4.320 0.001 0.000 0.217 168 A C 2.215 179.574 177.584 -0.375 0.000 1.181 168 A CA 1.069 52.834 52.037 -0.453 0.000 0.623 168 A CB -0.636 17.976 19.000 -0.646 0.000 0.818 168 A HN 0.130 8.280 8.150 -0.000 0.000 0.443 169 L N -0.873 120.048 121.223 -0.504 0.000 2.083 169 L HA -0.147 4.193 4.340 0.001 0.000 0.209 169 L C 2.752 179.350 176.870 -0.454 0.000 1.083 169 L CA 1.638 56.116 54.840 -0.603 0.000 0.752 169 L CB -0.872 40.558 42.059 -1.049 0.000 0.899 169 L HN 0.333 8.563 8.230 -0.000 0.000 0.433 170 T N -0.826 113.527 114.554 -0.336 0.000 2.746 170 T HA -0.181 4.170 4.350 0.001 0.000 0.267 170 T C 2.040 176.701 174.700 -0.065 0.000 1.039 170 T CA 1.226 63.302 62.100 -0.039 0.000 1.142 170 T CB -0.096 68.800 68.868 0.046 0.000 0.866 170 T HN 0.131 8.371 8.240 -0.000 0.000 0.444 171 R N 0.821 121.259 120.500 -0.104 0.000 2.115 171 R HA 0.164 4.505 4.340 0.001 0.000 0.230 171 R C 1.949 178.202 176.300 -0.078 0.000 1.111 171 R CA 0.744 56.798 56.100 -0.076 0.000 0.976 171 R CB -0.570 29.685 30.300 -0.075 0.000 0.870 171 R HN 0.381 8.651 8.270 -0.000 0.000 0.445 172 L N -0.076 121.078 121.223 -0.114 0.000 2.591 172 L HA 0.130 4.471 4.340 0.001 0.000 0.228 172 L C -0.132 176.689 176.870 -0.082 0.000 1.133 172 L CA -0.079 54.699 54.840 -0.103 0.000 0.880 172 L CB -0.358 41.621 42.059 -0.133 0.000 1.033 172 L HN 0.249 8.479 8.230 -0.000 0.000 0.450 173 N N -0.395 118.268 118.700 -0.062 0.000 2.735 173 N HA -0.159 4.582 4.740 0.001 0.000 0.248 173 N C -0.687 174.816 175.510 -0.012 0.000 1.083 173 N CA 0.356 53.392 53.050 -0.024 0.000 0.703 173 N CB -0.934 37.538 38.487 -0.025 0.000 1.005 173 N HN 0.009 8.389 8.380 -0.000 0.000 0.550 174 V N 0.832 120.731 119.914 -0.025 0.000 2.364 174 V HA 0.338 4.459 4.120 0.001 0.000 0.272 174 V C -1.851 174.328 176.094 0.143 0.000 1.036 174 V CA -1.518 60.785 62.300 0.006 0.000 0.880 174 V CB 1.533 33.310 31.823 -0.077 0.000 0.991 174 V HN 0.010 8.200 8.190 -0.000 0.000 0.460 175 P HA 0.153 4.573 4.420 -0.000 0.000 0.261 175 P C -0.802 176.632 177.300 0.224 0.000 1.183 175 P CA 0.590 63.772 63.100 0.136 0.000 0.761 175 P CB 0.039 31.777 31.700 0.064 0.000 0.785 176 H N 0.317 119.401 119.070 0.022 0.000 2.981 176 H HA 0.758 5.315 4.556 0.001 0.000 0.327 176 H C -1.041 174.303 175.328 0.028 0.000 1.342 176 H CA -1.235 54.841 56.048 0.047 0.000 1.123 176 H CB 1.501 31.277 29.762 0.024 0.000 1.851 176 H HN 0.112 8.392 8.280 -0.000 0.000 0.531 177 R N 1.359 121.890 120.500 0.051 0.000 2.510 177 R HA 0.400 4.741 4.340 0.001 0.000 0.287 177 R C -1.639 174.712 176.300 0.085 0.000 1.084 177 R CA -0.491 55.601 56.100 -0.014 0.000 0.934 177 R CB 2.479 32.775 30.300 -0.007 0.000 1.201 177 R HN 0.900 9.170 8.270 -0.000 0.000 0.431 178 T N 2.620 117.217 114.554 0.071 0.000 2.863 178 T HA 0.631 4.982 4.350 0.001 0.000 0.285 178 T C -1.067 173.658 174.700 0.042 0.000 1.009 178 T CA -0.471 61.679 62.100 0.083 0.000 0.989 178 T CB 1.135 70.065 68.868 0.104 0.000 1.004 178 T HN 0.647 8.887 8.240 -0.000 0.000 0.455 179 N N 0.627 119.351 118.700 0.040 0.000 2.416 179 N HA 0.533 5.274 4.740 0.001 0.000 0.276 179 N C -1.580 173.944 175.510 0.024 0.000 1.261 179 N CA -0.670 52.395 53.050 0.025 0.000 0.790 179 N CB 1.923 40.421 38.487 0.020 0.000 1.554 179 N HN 0.280 8.660 8.380 -0.000 0.000 0.481 180 V N 1.200 121.124 119.914 0.016 0.000 2.334 180 V HA 0.765 4.886 4.120 0.001 0.000 0.267 180 V C -0.475 175.624 176.094 0.009 0.000 1.040 180 V CA -0.232 62.075 62.300 0.012 0.000 0.866 180 V CB 0.104 31.930 31.823 0.005 0.000 1.019 180 V HN 0.798 8.988 8.190 -0.000 0.000 0.468 181 A N 3.794 126.621 122.820 0.011 0.000 2.393 181 A HA 0.676 4.996 4.320 0.001 0.000 0.306 181 A C -0.939 176.650 177.584 0.008 0.000 1.050 181 A CA -0.612 51.430 52.037 0.009 0.000 0.724 181 A CB 1.565 20.571 19.000 0.011 0.000 1.248 181 A HN 0.633 8.783 8.150 -0.000 0.000 0.424 182 D N 2.831 123.234 120.400 0.005 0.000 2.373 182 D HA 0.310 4.951 4.640 0.001 0.000 0.227 182 D C 0.914 177.219 176.300 0.008 0.000 1.091 182 D CA -0.336 53.668 54.000 0.007 0.000 0.840 182 D CB 1.034 41.836 40.800 0.003 0.000 1.060 182 D HN 0.479 8.849 8.370 -0.000 0.000 0.502 183 L N 3.322 124.550 121.223 0.009 0.000 2.263 183 L HA -0.166 4.175 4.340 0.001 0.000 0.216 183 L C 1.990 178.866 176.870 0.009 0.000 1.111 183 L CA 0.833 55.676 54.840 0.005 0.000 0.773 183 L CB -0.094 41.964 42.059 -0.000 0.000 0.906 183 L HN 0.490 8.720 8.230 -0.000 0.000 0.439 184 L N -1.384 119.848 121.223 0.014 0.000 2.591 184 L HA 0.025 4.366 4.340 0.001 0.000 0.228 184 L C 1.568 178.447 176.870 0.014 0.000 1.133 184 L CA 0.381 55.231 54.840 0.017 0.000 0.880 184 L CB -0.056 42.016 42.059 0.021 0.000 1.033 184 L HN 0.331 8.561 8.230 -0.000 0.000 0.450 185 E N -1.607 118.599 120.200 0.011 0.000 2.879 185 E HA 0.081 4.432 4.350 0.001 0.000 0.206 185 E C -0.101 176.503 176.600 0.008 0.000 0.969 185 E CA -0.397 56.009 56.400 0.009 0.000 1.496 185 E CB 0.713 30.417 29.700 0.007 0.000 1.454 185 E HN 0.271 8.631 8.360 -0.000 0.000 0.750 186 D N 2.753 123.157 120.400 0.006 0.000 2.400 186 D HA 0.022 4.663 4.640 0.001 0.000 0.238 186 D C 0.282 176.585 176.300 0.005 0.000 1.157 186 D CA 0.328 54.331 54.000 0.005 0.000 0.889 186 D CB 0.722 41.525 40.800 0.005 0.000 1.199 186 D HN 0.094 8.464 8.370 -0.000 0.000 0.436 187 R N 0.730 121.233 120.500 0.005 0.000 2.594 187 R HA 0.255 4.595 4.340 0.001 0.000 0.272 187 R C 0.213 176.514 176.300 0.003 0.000 1.074 187 R CA -0.187 55.915 56.100 0.004 0.000 1.105 187 R CB 0.473 30.775 30.300 0.004 0.000 1.008 187 R HN 0.389 8.659 8.270 -0.000 0.000 0.472 188 L N 1.606 122.831 121.223 0.002 0.000 3.267 188 L HA 0.127 4.467 4.340 0.001 0.000 0.289 188 L C 0.472 177.342 176.870 -0.000 0.000 1.260 188 L CA -0.261 54.579 54.840 -0.000 0.000 1.034 188 L CB 0.424 42.482 42.059 -0.002 0.000 1.413 188 L HN 0.860 9.090 8.230 -0.000 0.000 0.594 189 D N 0.118 120.519 120.400 0.001 0.000 2.323 189 D HA -0.146 4.495 4.640 0.001 0.000 0.209 189 D C 0.682 176.982 176.300 0.000 0.000 0.973 189 D CA 0.002 54.004 54.000 0.002 0.000 0.874 189 D CB 0.284 41.085 40.800 0.003 0.000 0.930 189 D HN 0.453 8.823 8.370 -0.000 0.000 0.521 190 E N 1.875 122.075 120.200 -0.001 0.000 2.452 190 E HA 0.071 4.421 4.350 0.001 0.000 0.261 190 E C -2.255 174.343 176.600 -0.003 0.000 0.987 190 E CA -1.429 54.970 56.400 -0.002 0.000 0.926 190 E CB 0.661 30.360 29.700 -0.002 0.000 0.934 190 E HN -0.037 8.323 8.360 -0.000 0.000 0.452 191 P HA 0.183 4.603 4.420 -0.000 0.000 0.271 191 P C -1.599 175.697 177.300 -0.007 0.000 1.218 191 P CA -0.019 63.079 63.100 -0.003 0.000 0.780 191 P CB 1.334 33.033 31.700 -0.002 0.000 0.901 192 A N 1.982 124.797 122.820 -0.009 0.000 2.512 192 A HA 0.274 4.595 4.320 0.001 0.000 0.294 192 A C 0.580 178.157 177.584 -0.011 0.000 1.054 192 A CA -0.501 51.527 52.037 -0.015 0.000 0.756 192 A CB 0.655 19.641 19.000 -0.025 0.000 1.293 192 A HN 0.419 8.569 8.150 -0.000 0.000 0.395 193 D N 0.433 120.829 120.400 -0.007 0.000 2.104 193 D HA -0.065 4.576 4.640 0.001 0.000 0.194 193 D C 0.590 176.890 176.300 0.000 0.000 0.994 193 D CA 2.098 56.100 54.000 0.002 0.000 0.830 193 D CB 0.169 40.976 40.800 0.013 0.000 0.959 193 D HN 0.335 8.705 8.370 -0.000 0.000 0.452 194 V N 0.026 119.935 119.914 -0.008 0.000 2.709 194 V HA 0.335 4.456 4.120 0.001 0.000 0.308 194 V C -0.134 175.934 176.094 -0.044 0.000 1.062 194 V CA -0.605 61.683 62.300 -0.019 0.000 0.901 194 V CB 2.397 34.220 31.823 0.000 0.000 1.003 194 V HN -0.131 8.059 8.190 -0.000 0.000 0.425 195 T N 5.517 120.042 114.554 -0.049 0.000 2.824 195 T HA 0.653 5.004 4.350 0.001 0.000 0.282 195 T C -0.622 174.040 174.700 -0.064 0.000 0.993 195 T CA -0.353 61.712 62.100 -0.058 0.000 0.967 195 T CB 1.083 69.921 68.868 -0.050 0.000 0.960 195 T HN 0.377 8.617 8.240 -0.000 0.000 0.441 196 L N 4.054 125.242 121.223 -0.058 0.000 2.295 196 L HA 0.571 4.912 4.340 0.001 0.000 0.285 196 L C -0.322 176.510 176.870 -0.064 0.000 1.035 196 L CA -0.734 54.079 54.840 -0.045 0.000 0.806 196 L CB 1.138 43.206 42.059 0.015 0.000 1.214 196 L HN 0.445 8.675 8.230 -0.000 0.000 0.426 197 L N 5.595 126.755 121.223 -0.104 0.000 2.637 197 L HA 0.383 4.724 4.340 0.001 0.000 0.241 197 L C -0.524 176.224 176.870 -0.204 0.000 1.398 197 L CA -0.214 54.536 54.840 -0.150 0.000 0.895 197 L CB 0.627 42.575 42.059 -0.185 0.000 1.183 197 L HN 0.494 8.724 8.230 -0.000 0.000 0.497 198 L N 2.195 123.328 121.223 -0.151 0.000 2.319 198 L HA 0.245 4.586 4.340 0.001 0.000 0.280 198 L C 0.682 177.409 176.870 -0.238 0.000 1.099 198 L CA -0.573 54.162 54.840 -0.174 0.000 0.828 198 L CB 0.262 42.263 42.059 -0.097 0.000 1.150 198 L HN 0.492 8.722 8.230 -0.000 0.000 0.442 199 K N 1.578 121.790 120.400 -0.313 0.000 3.311 199 K HA -0.218 4.103 4.320 0.001 0.000 0.270 199 K C 0.422 176.858 176.600 -0.272 0.000 0.927 199 K CA 0.654 56.757 56.287 -0.307 0.000 0.706 199 K CB -1.392 30.970 32.500 -0.231 0.000 1.418 199 K HN 0.841 9.091 8.250 -0.000 0.000 0.459 200 T N -0.474 113.903 114.554 -0.296 0.000 3.085 200 T HA 0.065 4.416 4.350 0.001 0.000 0.241 200 T C 1.632 176.244 174.700 -0.148 0.000 0.988 200 T CA -0.055 61.929 62.100 -0.194 0.000 1.117 200 T CB 0.056 68.823 68.868 -0.167 0.000 0.978 200 T HN 0.082 8.322 8.240 -0.000 0.000 0.454 201 L N 1.898 122.989 121.223 -0.220 0.000 2.051 201 L HA -0.074 4.267 4.340 0.001 0.000 0.214 201 L C -0.865 176.040 176.870 0.058 0.000 1.076 201 L CA 2.215 57.005 54.840 -0.083 0.000 0.758 201 L CB -1.365 40.641 42.059 -0.088 0.000 0.890 201 L HN 0.205 8.435 8.230 -0.000 0.000 0.433 202 P HA -0.153 4.267 4.420 -0.000 0.000 0.216 202 P C 2.006 179.401 177.300 0.159 0.000 1.150 202 P CA 1.381 64.588 63.100 0.177 0.000 0.837 202 P CB -0.094 31.695 31.700 0.148 0.000 0.786 203 C N -1.431 117.938 119.300 0.115 0.000 2.466 203 C HA -0.033 4.427 4.460 0.001 0.000 0.278 203 C C 2.592 177.646 174.990 0.107 0.000 1.288 203 C CA 0.525 59.624 59.018 0.135 0.000 1.722 203 C CB -1.805 26.021 27.740 0.144 0.000 2.017 203 C HN 0.120 8.350 8.230 -0.000 0.000 0.488 204 L N 0.341 121.609 121.223 0.076 0.000 2.046 204 L HA -0.134 4.207 4.340 0.001 0.000 0.208 204 L C 2.756 179.678 176.870 0.086 0.000 1.077 204 L CA 1.403 56.283 54.840 0.066 0.000 0.747 204 L CB -0.831 41.253 42.059 0.041 0.000 0.896 204 L HN 0.322 8.552 8.230 -0.000 0.000 0.432 205 E N -0.091 120.176 120.200 0.111 0.000 2.118 205 E HA -0.174 4.177 4.350 0.001 0.000 0.195 205 E C 2.182 178.847 176.600 0.110 0.000 0.992 205 E CA 1.774 58.249 56.400 0.125 0.000 0.804 205 E CB -0.398 29.403 29.700 0.168 0.000 0.741 205 E HN 0.471 8.831 8.360 -0.000 0.000 0.458 206 T N 1.556 116.178 114.554 0.114 0.000 2.867 206 T HA -0.141 4.210 4.350 0.001 0.000 0.268 206 T C 1.823 176.571 174.700 0.080 0.000 1.057 206 T CA 1.243 63.404 62.100 0.101 0.000 1.136 206 T CB -0.065 68.871 68.868 0.113 0.000 0.874 206 T HN 0.274 8.514 8.240 -0.000 0.000 0.466 207 Q N 0.124 119.970 119.800 0.077 0.000 2.302 207 Q HA 0.198 4.539 4.340 0.001 0.000 0.202 207 Q C 1.045 177.077 176.000 0.052 0.000 0.936 207 Q CA 0.446 56.285 55.803 0.060 0.000 0.886 207 Q CB 0.471 29.244 28.738 0.058 0.000 0.986 207 Q HN 0.390 8.660 8.270 -0.000 0.000 0.487 208 Q N 0.707 120.543 119.800 0.059 0.000 2.567 208 Q HA 0.172 4.513 4.340 0.001 0.000 0.233 208 Q C -1.387 174.652 176.000 0.066 0.000 0.833 208 Q CA -0.319 55.517 55.803 0.055 0.000 0.844 208 Q CB 1.396 30.162 28.738 0.047 0.000 1.423 208 Q HN 0.078 8.348 8.270 -0.000 0.000 0.442 209 R N 1.551 122.089 120.500 0.064 0.000 2.583 209 R HA 0.083 4.424 4.340 0.001 0.000 0.274 209 R C 0.895 177.242 176.300 0.079 0.000 0.998 209 R CA 2.249 58.393 56.100 0.073 0.000 1.081 209 R CB 0.036 30.371 30.300 0.059 0.000 0.940 209 R HN 0.972 9.242 8.270 -0.000 0.000 0.413 210 G N 2.053 110.916 108.800 0.105 0.000 2.212 210 G HA2 -0.400 3.561 3.960 0.001 0.000 0.266 210 G HA3 -0.400 3.561 3.960 0.001 0.000 0.266 210 G C 0.839 175.817 174.900 0.131 0.000 0.978 210 G CA 0.906 46.079 45.100 0.121 0.000 0.632 210 G HN 0.790 9.080 8.290 -0.000 0.000 0.537 211 S N 0.232 115.994 115.700 0.104 0.000 2.419 211 S HA 0.131 4.602 4.470 0.001 0.000 0.233 211 S C 2.520 177.170 174.600 0.084 0.000 1.016 211 S CA 1.553 59.803 58.200 0.084 0.000 0.974 211 S CB -0.805 62.432 63.200 0.062 0.000 0.786 211 S HN 1.630 9.940 8.310 -0.000 0.000 0.492 212 G N 0.783 109.645 108.800 0.104 0.000 2.545 212 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 212 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 212 G C 1.022 175.914 174.900 -0.013 0.000 1.218 212 G CA 0.910 46.039 45.100 0.049 0.000 0.787 212 G HN 0.659 8.949 8.290 -0.000 0.000 0.571 213 W N 1.204 122.533 121.300 0.048 0.000 2.595 213 W HA 0.198 4.857 4.660 -0.001 0.000 0.257 213 W C 2.691 179.213 176.519 0.005 0.000 1.267 213 W CA 0.797 58.150 57.345 0.014 0.000 1.300 213 W CB 0.211 29.653 29.460 -0.031 0.000 1.120 213 W HN 0.358 8.538 8.180 -0.000 0.000 0.618 214 E N -0.344 119.969 120.200 0.189 0.000 2.072 214 E HA -0.184 4.167 4.350 0.001 0.000 0.191 214 E C 2.103 178.743 176.600 0.067 0.000 0.985 214 E CA 1.440 57.911 56.400 0.117 0.000 0.801 214 E CB -0.418 29.334 29.700 0.086 0.000 0.750 214 E HN 0.073 8.433 8.360 -0.000 0.000 0.452 215 V N 1.487 121.419 119.914 0.031 0.000 2.307 215 V HA -0.248 3.873 4.120 0.001 0.000 0.245 215 V C 2.243 178.321 176.094 -0.027 0.000 1.045 215 V CA 1.481 63.778 62.300 -0.006 0.000 1.024 215 V CB -0.347 31.457 31.823 -0.031 0.000 0.651 215 V HN 0.265 8.455 8.190 -0.000 0.000 0.449 216 I N -0.027 120.500 120.570 -0.072 0.000 2.264 216 I HA -0.258 3.913 4.170 0.001 0.000 0.248 216 I C 2.302 178.420 176.117 0.002 0.000 1.111 216 I CA 1.605 62.840 61.300 -0.107 0.000 1.382 216 I CB -0.441 37.357 38.000 -0.336 0.000 1.060 216 I HN 0.367 8.577 8.210 -0.000 0.000 0.418 217 D N 0.886 121.329 120.400 0.073 0.000 2.097 217 D HA -0.129 4.512 4.640 0.001 0.000 0.197 217 D C 2.184 178.515 176.300 0.051 0.000 0.984 217 D CA 1.762 55.818 54.000 0.094 0.000 0.826 217 D CB 0.006 40.879 40.800 0.121 0.000 0.973 217 D HN 0.507 8.877 8.370 -0.000 0.000 0.460 218 I N -0.959 119.633 120.570 0.036 0.000 2.584 218 I HA -0.016 4.155 4.170 0.001 0.000 0.255 218 I C 0.706 176.830 176.117 0.012 0.000 1.145 218 I CA 0.057 61.371 61.300 0.023 0.000 1.462 218 I CB -0.288 37.725 38.000 0.021 0.000 1.102 218 I HN -0.352 7.858 8.210 -0.000 0.000 0.433 219 V N 4.413 124.329 119.914 0.003 0.000 2.583 219 V HA -0.174 3.946 4.120 0.001 0.000 0.302 219 V C 0.608 176.701 176.094 -0.002 0.000 1.033 219 V CA 0.658 62.955 62.300 -0.006 0.000 1.194 219 V CB -0.933 30.878 31.823 -0.021 0.000 0.879 219 V HN 0.466 8.656 8.190 -0.000 0.000 0.482 220 N N 4.188 122.887 118.700 -0.002 0.000 2.971 220 N HA 0.093 4.834 4.740 0.001 0.000 0.294 220 N C -0.571 174.937 175.510 -0.003 0.000 1.210 220 N CA 0.381 53.431 53.050 0.000 0.000 1.157 220 N CB -0.036 38.452 38.487 0.001 0.000 1.450 220 N HN 0.718 9.098 8.380 -0.000 0.000 0.527 221 S N 1.673 117.371 115.700 -0.003 0.000 2.566 221 S HA 0.354 4.825 4.470 0.001 0.000 0.273 221 S C -1.998 172.603 174.600 0.002 0.000 1.157 221 S CA -0.730 57.467 58.200 -0.005 0.000 0.938 221 S CB 2.305 65.496 63.200 -0.015 0.000 1.087 221 S HN 0.346 8.656 8.310 -0.000 0.000 0.474 222 P HA 0.086 4.505 4.420 -0.000 0.000 0.231 222 P C -0.539 176.768 177.300 0.013 0.000 1.168 222 P CA 0.378 63.486 63.100 0.012 0.000 0.779 222 P CB 0.180 31.888 31.700 0.014 0.000 0.844 223 N N 0.697 119.399 118.700 0.004 0.000 2.399 223 N HA 0.414 5.155 4.740 0.001 0.000 0.280 223 N C -0.553 174.946 175.510 -0.019 0.000 1.008 223 N CA -0.382 52.667 53.050 -0.002 0.000 0.894 223 N CB 2.221 40.707 38.487 -0.002 0.000 1.273 223 N HN 0.034 8.414 8.380 -0.000 0.000 0.486 224 I N 1.312 121.869 120.570 -0.021 0.000 2.582 224 I HA 0.376 4.547 4.170 0.001 0.000 0.292 224 I C -0.538 175.546 176.117 -0.055 0.000 1.066 224 I CA -1.060 60.214 61.300 -0.043 0.000 1.053 224 I CB 2.568 40.541 38.000 -0.045 0.000 1.241 224 I HN -0.016 8.194 8.210 -0.000 0.000 0.421 225 V N 6.385 126.247 119.914 -0.086 0.000 2.417 225 V HA 0.456 4.576 4.120 0.001 0.000 0.291 225 V C -0.275 175.732 176.094 -0.146 0.000 1.024 225 V CA -0.650 61.585 62.300 -0.108 0.000 0.861 225 V CB 1.990 33.737 31.823 -0.126 0.000 0.985 225 V HN 0.408 8.598 8.190 -0.000 0.000 0.436 226 V N 4.506 124.308 119.914 -0.187 0.000 2.444 226 V HA 0.674 4.795 4.120 0.001 0.000 0.294 226 V C 0.197 176.030 176.094 -0.435 0.000 1.022 226 V CA -0.294 61.794 62.300 -0.353 0.000 0.850 226 V CB 2.184 33.753 31.823 -0.423 0.000 0.992 226 V HN 1.036 9.226 8.190 -0.000 0.000 0.426 227 T N 1.576 115.814 114.554 -0.527 0.000 2.930 227 T HA 0.856 5.207 4.350 0.001 0.000 0.290 227 T C -1.066 173.188 174.700 -0.743 0.000 1.052 227 T CA -0.593 61.239 62.100 -0.446 0.000 1.017 227 T CB 1.969 70.730 68.868 -0.179 0.000 1.137 227 T HN 0.169 8.409 8.240 -0.000 0.000 0.511 228 F N 1.332 121.137 119.950 -0.241 0.000 2.578 228 F HA 0.598 5.124 4.527 -0.002 0.000 0.311 228 F C -2.394 173.301 175.800 -0.176 0.000 1.094 228 F CA -2.276 55.523 58.000 -0.334 0.000 0.923 228 F CB 2.557 41.301 39.000 -0.426 0.000 1.230 228 F HN 0.432 8.732 8.300 -0.000 0.000 0.450 229 P HA 0.122 4.542 4.420 -0.000 0.000 0.278 229 P C -0.087 177.355 177.300 0.235 0.000 1.238 229 P CA -0.156 63.006 63.100 0.104 0.000 0.794 229 P CB 2.044 33.801 31.700 0.094 0.000 0.955 230 T N 0.098 114.768 114.554 0.193 0.000 3.044 230 T HA 0.187 4.538 4.350 0.001 0.000 0.260 230 T C 0.208 175.005 174.700 0.161 0.000 1.019 230 T CA 0.322 62.560 62.100 0.230 0.000 0.921 230 T CB -0.190 68.823 68.868 0.242 0.000 1.053 230 T HN 0.573 8.813 8.240 -0.000 0.000 0.533 242 Q N 1.700 121.637 119.800 0.229 0.000 2.014 242 Q HA -0.179 4.162 4.340 0.001 0.000 0.207 242 Q C 1.359 177.313 176.000 -0.077 0.000 0.993 242 Q CA 2.971 58.840 55.803 0.109 0.000 0.850 242 Q CB -0.738 28.054 28.738 0.090 0.000 0.916 242 Q HN 0.693 8.963 8.270 -0.000 0.000 0.417 243 N N -1.575 117.024 118.700 -0.169 0.000 2.025 243 N HA -0.196 4.545 4.740 0.001 0.000 0.194 243 N C 1.679 177.015 175.510 -0.290 0.000 1.044 243 N CA 1.444 54.332 53.050 -0.270 0.000 0.851 243 N CB -0.324 37.900 38.487 -0.437 0.000 1.036 243 N HN 0.246 8.626 8.380 -0.000 0.000 0.422 244 Y N 1.433 121.572 120.300 -0.268 0.000 2.145 244 Y HA -0.163 4.386 4.550 -0.002 0.000 0.286 244 Y C 3.021 178.603 175.900 -0.530 0.000 1.145 244 Y CA 1.065 58.831 58.100 -0.556 0.000 1.148 244 Y CB -1.072 36.891 38.460 -0.829 0.000 0.981 244 Y HN 0.142 8.422 8.280 -0.000 0.000 0.507 245 S N -0.292 115.223 115.700 -0.309 0.000 2.382 245 S HA -0.250 4.221 4.470 0.001 0.000 0.228 245 S C 1.826 176.404 174.600 -0.036 0.000 1.027 245 S CA 1.409 59.501 58.200 -0.181 0.000 0.991 245 S CB -0.634 62.252 63.200 -0.523 0.000 0.823 245 S HN 0.562 8.872 8.310 -0.000 0.000 0.469 246 Q N 1.276 121.036 119.800 -0.066 0.000 2.046 246 Q HA -0.088 4.253 4.340 0.001 0.000 0.200 246 Q C 2.758 178.751 176.000 -0.010 0.000 0.975 246 Q CA 1.843 57.634 55.803 -0.019 0.000 0.836 246 Q CB -0.339 28.384 28.738 -0.024 0.000 0.896 246 Q HN 0.876 9.146 8.270 -0.000 0.000 0.428 247 S N 0.128 115.824 115.700 -0.007 0.000 2.357 247 S HA -0.135 4.335 4.470 0.001 0.000 0.221 247 S C 1.795 176.438 174.600 0.073 0.000 1.031 247 S CA 0.639 58.854 58.200 0.025 0.000 0.982 247 S CB -0.718 62.516 63.200 0.057 0.000 0.853 247 S HN 0.375 8.685 8.310 -0.000 0.000 0.458 248 F N 2.680 122.612 119.950 -0.030 0.000 2.095 248 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 248 F C 2.441 178.228 175.800 -0.023 0.000 1.104 248 F CA 1.965 60.005 58.000 0.066 0.000 1.232 248 F CB -0.384 38.543 39.000 -0.122 0.000 0.987 248 F HN 0.212 8.512 8.300 -0.000 0.000 0.475 249 E N -0.291 119.938 120.200 0.048 0.000 2.077 249 E HA -0.204 4.147 4.350 0.001 0.000 0.193 249 E C 2.366 178.901 176.600 -0.108 0.000 0.989 249 E CA 1.545 57.931 56.400 -0.023 0.000 0.800 249 E CB -0.266 29.482 29.700 0.080 0.000 0.746 249 E HN 0.524 8.884 8.360 -0.000 0.000 0.452 250 S N 0.715 116.355 115.700 -0.099 0.000 2.383 250 S HA -0.219 4.251 4.470 0.001 0.000 0.227 250 S C 1.974 176.427 174.600 -0.246 0.000 1.026 250 S CA 0.940 59.061 58.200 -0.131 0.000 0.981 250 S CB -0.233 62.911 63.200 -0.094 0.000 0.818 250 S HN 0.194 8.504 8.310 -0.000 0.000 0.472 251 Q N 1.099 120.694 119.800 -0.342 0.000 2.167 251 Q HA 0.129 4.470 4.340 0.001 0.000 0.202 251 Q C 2.537 177.990 176.000 -0.912 0.000 0.970 251 Q CA 1.355 56.766 55.803 -0.654 0.000 0.855 251 Q CB -0.489 27.777 28.738 -0.786 0.000 0.911 251 Q HN 0.780 9.050 8.270 -0.000 0.000 0.438 252 A N 1.045 123.451 122.820 -0.689 0.000 1.872 252 A HA -0.143 4.177 4.320 0.001 0.000 0.214 252 A C 1.933 179.331 177.584 -0.309 0.000 1.187 252 A CA 1.051 52.785 52.037 -0.505 0.000 0.614 252 A CB -0.299 18.556 19.000 -0.242 0.000 0.826 252 A HN 0.178 8.328 8.150 -0.000 0.000 0.442 253 R N -0.434 119.931 120.500 -0.225 0.000 2.152 253 R HA -0.137 4.203 4.340 0.001 0.000 0.232 253 R C 2.152 178.350 176.300 -0.170 0.000 1.117 253 R CA 1.320 57.333 56.100 -0.146 0.000 0.981 253 R CB -0.228 30.013 30.300 -0.099 0.000 0.870 253 R HN 0.785 9.055 8.270 -0.000 0.000 0.451 254 E N 1.064 121.116 120.200 -0.246 0.000 2.150 254 E HA -0.166 4.184 4.350 0.001 0.000 0.193 254 E C 1.346 177.811 176.600 -0.225 0.000 0.985 254 E CA 0.961 57.222 56.400 -0.231 0.000 0.814 254 E CB 0.228 29.757 29.700 -0.286 0.000 0.752 254 E HN 0.251 8.611 8.360 -0.000 0.000 0.466 255 R N -0.401 119.927 120.500 -0.286 0.000 2.334 255 R HA 0.185 4.526 4.340 0.001 0.000 0.216 255 R C 0.400 176.625 176.300 -0.126 0.000 0.905 255 R CA 0.368 56.336 56.100 -0.220 0.000 1.064 255 R CB 0.562 30.681 30.300 -0.301 0.000 1.046 255 R HN -0.090 8.180 8.270 -0.000 0.000 0.508 256 S N 0.317 115.948 115.700 -0.115 0.000 3.706 256 S HA -0.161 4.310 4.470 0.001 0.000 0.363 256 S C -0.153 174.431 174.600 -0.026 0.000 0.999 256 S CA 0.167 58.331 58.200 -0.060 0.000 1.143 256 S CB -1.464 61.710 63.200 -0.044 0.000 0.902 256 S HN 0.458 8.768 8.310 -0.000 0.000 0.476 257 C N 1.765 121.053 119.300 -0.020 0.000 2.452 257 C HA 0.468 4.929 4.460 0.001 0.000 0.379 257 C C 1.005 176.032 174.990 0.061 0.000 1.275 257 C CA -0.627 58.421 59.018 0.050 0.000 2.056 257 C CB 0.498 28.319 27.740 0.134 0.000 2.506 257 C HN 0.688 8.918 8.230 -0.000 0.000 0.560 258 R N 3.667 124.207 120.500 0.067 0.000 2.267 258 R HA 0.599 4.940 4.340 0.001 0.000 0.319 258 R C -0.442 175.917 176.300 0.098 0.000 1.067 258 R CA 0.060 56.200 56.100 0.067 0.000 0.936 258 R CB 0.134 30.465 30.300 0.052 0.000 1.006 258 R HN 0.846 9.116 8.270 -0.000 0.000 0.452 259 I N 0.322 120.962 120.570 0.116 0.000 2.865 259 I HA 0.472 4.643 4.170 0.001 0.000 0.302 259 I C -1.481 174.719 176.117 0.138 0.000 1.140 259 I CA -1.228 60.173 61.300 0.168 0.000 1.021 259 I CB 2.366 40.531 38.000 0.276 0.000 1.233 259 I HN 0.575 8.785 8.210 -0.000 0.000 0.427 260 Q N 4.284 124.155 119.800 0.119 0.000 2.310 260 Q HA 0.490 4.831 4.340 0.001 0.000 0.270 260 Q C -1.382 174.629 176.000 0.018 0.000 1.025 260 Q CA -0.748 55.067 55.803 0.020 0.000 0.772 260 Q CB 2.149 30.820 28.738 -0.113 0.000 1.253 260 Q HN 0.772 9.042 8.270 -0.000 0.000 0.450 261 R N 4.124 124.633 120.500 0.016 0.000 2.368 261 R HA 0.645 4.985 4.340 0.001 0.000 0.302 261 R C -1.208 175.001 176.300 -0.152 0.000 1.002 261 R CA -0.260 55.785 56.100 -0.093 0.000 0.929 261 R CB 0.721 31.019 30.300 -0.004 0.000 1.073 261 R HN 0.724 8.994 8.270 -0.000 0.000 0.464 262 L N 1.894 122.987 121.223 -0.216 0.000 2.359 262 L HA 0.505 4.846 4.340 0.001 0.000 0.256 262 L C -0.987 175.813 176.870 -0.118 0.000 1.026 262 L CA -0.826 53.924 54.840 -0.149 0.000 0.828 262 L CB 2.427 44.385 42.059 -0.169 0.000 1.406 262 L HN 0.669 8.899 8.230 -0.000 0.000 0.413 263 E N 1.967 122.135 120.200 -0.053 0.000 2.343 263 E HA 0.534 4.885 4.350 0.001 0.000 0.260 263 E C -1.853 174.729 176.600 -0.029 0.000 0.908 263 E CA -0.326 56.068 56.400 -0.010 0.000 0.814 263 E CB 1.438 31.164 29.700 0.043 0.000 1.302 263 E HN 0.485 8.845 8.360 -0.000 0.000 0.408 264 I N 4.565 125.124 120.570 -0.018 0.000 2.466 264 I HA 0.539 4.709 4.170 0.001 0.000 0.289 264 I C 0.899 176.905 176.117 -0.186 0.000 1.026 264 I CA -0.316 60.955 61.300 -0.048 0.000 1.078 264 I CB 1.682 39.734 38.000 0.086 0.000 1.249 264 I HN 0.913 9.123 8.210 -0.000 0.000 0.429 265 G N 5.759 114.226 108.800 -0.554 0.000 2.574 265 G HA2 -0.334 3.627 3.960 0.001 0.000 0.286 265 G HA3 -0.334 3.627 3.960 0.001 0.000 0.286 265 G C 0.144 174.866 174.900 -0.297 0.000 1.212 265 G CA 0.383 44.966 45.100 -0.863 0.000 0.979 265 G HN 0.761 9.051 8.290 -0.000 0.000 0.557 266 N N 1.691 120.297 118.700 -0.157 0.000 2.558 266 N HA 0.380 5.121 4.740 0.001 0.000 0.281 266 N C -0.372 175.135 175.510 -0.005 0.000 1.219 266 N CA 0.131 53.157 53.050 -0.039 0.000 0.942 266 N CB 0.600 39.087 38.487 -0.001 0.000 1.241 266 N HN 0.501 8.881 8.380 -0.000 0.000 0.511 267 E N 1.468 121.659 120.200 -0.015 0.000 2.241 267 E HA 0.220 4.571 4.350 0.001 0.000 0.263 267 E C -1.485 175.144 176.600 0.049 0.000 0.882 267 E CA -0.850 55.559 56.400 0.015 0.000 0.769 267 E CB 1.452 31.134 29.700 -0.031 0.000 1.185 267 E HN 0.052 8.412 8.360 -0.000 0.000 0.415 268 L N 5.949 127.209 121.223 0.061 0.000 2.290 268 L HA 0.487 4.828 4.340 0.001 0.000 0.284 268 L C -1.274 175.493 176.870 -0.172 0.000 1.078 268 L CA 0.155 54.980 54.840 -0.025 0.000 0.815 268 L CB 0.604 42.649 42.059 -0.025 0.000 1.162 268 L HN 0.496 8.726 8.230 -0.000 0.000 0.435 269 I N 5.497 125.865 120.570 -0.336 0.000 2.509 269 I HA 0.346 4.517 4.170 0.001 0.000 0.293 269 I C -1.328 174.444 176.117 -0.574 0.000 1.020 269 I CA -0.578 60.506 61.300 -0.360 0.000 1.088 269 I CB 1.649 39.508 38.000 -0.236 0.000 1.267 269 I HN 0.446 8.656 8.210 -0.000 0.000 0.430 270 Y N 4.676 124.862 120.300 -0.190 0.000 2.338 270 Y HA 0.494 5.044 4.550 -0.000 0.000 0.333 270 Y C -0.354 175.475 175.900 -0.118 0.000 0.968 270 Y CA -0.942 57.068 58.100 -0.149 0.000 1.123 270 Y CB 2.014 40.310 38.460 -0.273 0.000 1.165 270 Y HN 0.146 8.426 8.280 -0.000 0.000 0.452 271 V N 5.974 125.927 119.914 0.065 0.000 2.350 271 V HA 0.391 4.512 4.120 0.001 0.000 0.276 271 V C -0.044 176.098 176.094 0.079 0.000 1.028 271 V CA -0.653 61.656 62.300 0.014 0.000 0.860 271 V CB 0.804 32.601 31.823 -0.044 0.000 0.990 271 V HN 0.586 8.776 8.190 -0.000 0.000 0.453 272 I N 5.311 125.927 120.570 0.076 0.000 2.336 272 I HA 0.425 4.596 4.170 0.001 0.000 0.292 272 I C 0.313 176.464 176.117 0.056 0.000 0.991 272 I CA -0.270 61.088 61.300 0.096 0.000 1.227 272 I CB 1.382 39.444 38.000 0.103 0.000 1.366 272 I HN 0.606 8.816 8.210 -0.000 0.000 0.466 273 Q N 0.000 119.836 119.800 0.060 0.000 2.315 273 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 273 Q CA 0.000 55.830 55.803 0.044 0.000 1.022 273 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 273 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481