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 3jqq_1_B DATA FIRST_RESID 5 DATA SEQUENCE NFINLYTVKN PLKCKIVDKI NLVRPNSPNE VYHLEINHNG LFKYLEGHTC DATA SEQUENCE GIIPYYNEXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXI KKQRCARLYS DATA SEQUENCE ISSSNNMENL SVAIKIHKYE XXXXXXXXTN YGYCSGFIKN LKINDDIYLT DATA SEQUENCE GAHGYFNLPN DAIQKNTNFI FIATGTGISP YISFLKKLFA YDKNNLYNRN DATA SEQUENCE SXYTGYITIY YGVYNEDSIL YLNELEYFQK MYPNNINIHY VFSYKXXXXX DATA SEQUENCE TSFYVQDEIY KRKTEFLNLF NNYKCELYIC GKKSIRYKVM DILKSXXXXD DATA SEQUENCE EKKKKRVHVE VY 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 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 5 N C 0.000 175.335 175.510 -0.292 0.000 1.280 5 N CA 0.000 52.853 53.050 -0.328 0.000 0.885 5 N CB 0.000 38.131 38.487 -0.594 0.000 1.341 6 F N 1.543 121.426 119.950 -0.112 0.000 2.717 6 F HA 0.534 5.062 4.527 0.002 0.000 0.297 6 F C 0.674 176.279 175.800 -0.326 0.000 1.113 6 F CA -1.164 56.701 58.000 -0.225 0.000 1.319 6 F CB -0.039 38.820 39.000 -0.234 0.000 1.097 6 F HN -0.165 8.135 8.300 -0.000 0.000 0.595 7 I N 2.191 122.687 120.570 -0.125 0.000 2.741 7 I HA -0.098 4.073 4.170 0.002 0.000 0.288 7 I C 0.757 176.772 176.117 -0.170 0.000 1.192 7 I CA 0.596 61.775 61.300 -0.203 0.000 1.426 7 I CB -0.250 37.684 38.000 -0.110 0.000 1.367 7 I HN 0.237 8.447 8.210 -0.000 0.000 0.563 8 N N 3.663 122.219 118.700 -0.240 0.000 2.782 8 N HA -0.204 4.538 4.740 0.002 0.000 0.251 8 N C 0.941 176.345 175.510 -0.176 0.000 1.101 8 N CA 0.407 53.367 53.050 -0.150 0.000 0.764 8 N CB -0.930 37.534 38.487 -0.038 0.000 1.122 8 N HN 0.431 8.811 8.380 -0.000 0.000 0.561 9 L N -0.660 120.396 121.223 -0.278 0.000 2.043 9 L HA -0.084 4.257 4.340 0.002 0.000 0.212 9 L C 0.607 177.094 176.870 -0.638 0.000 1.075 9 L CA 1.846 56.412 54.840 -0.457 0.000 0.752 9 L CB -0.373 41.349 42.059 -0.561 0.000 0.891 9 L HN 0.278 8.508 8.230 -0.000 0.000 0.432 10 Y N -1.516 118.716 120.300 -0.112 0.000 2.393 10 Y HA 0.505 5.056 4.550 0.002 0.000 0.341 10 Y C 0.671 176.584 175.900 0.022 0.000 0.988 10 Y CA -0.939 57.152 58.100 -0.015 0.000 1.078 10 Y CB 1.512 40.006 38.460 0.056 0.000 1.203 10 Y HN -0.094 8.186 8.280 -0.000 0.000 0.453 11 T N -2.866 111.796 114.554 0.181 0.000 2.773 11 T HA 0.366 4.717 4.350 0.002 0.000 0.278 11 T C 0.622 175.399 174.700 0.129 0.000 1.011 11 T CA -0.747 61.440 62.100 0.145 0.000 1.014 11 T CB 0.808 69.731 68.868 0.092 0.000 1.293 11 T HN 0.260 8.500 8.240 -0.000 0.000 0.554 12 V N 0.815 120.793 119.914 0.107 0.000 2.759 12 V HA -0.042 4.079 4.120 0.002 0.000 0.256 12 V C 2.497 178.649 176.094 0.097 0.000 1.080 12 V CA 1.353 63.706 62.300 0.088 0.000 1.101 12 V CB -1.176 30.696 31.823 0.081 0.000 0.698 12 V HN 0.809 8.999 8.190 -0.000 0.000 0.477 13 K N 1.583 122.038 120.400 0.092 0.000 2.098 13 K HA 0.005 4.326 4.320 0.002 0.000 0.203 13 K C 0.793 177.457 176.600 0.106 0.000 1.051 13 K CA 1.129 57.472 56.287 0.093 0.000 0.957 13 K CB -0.051 32.491 32.500 0.070 0.000 0.738 13 K HN 0.652 8.902 8.250 -0.000 0.000 0.447 14 N N 1.034 119.800 118.700 0.110 0.000 2.841 14 N HA 0.175 4.916 4.740 0.002 0.000 0.257 14 N C -3.055 172.570 175.510 0.192 0.000 1.396 14 N CA -1.770 51.365 53.050 0.142 0.000 0.823 14 N CB 0.852 39.422 38.487 0.138 0.000 1.162 14 N HN -0.124 8.256 8.380 -0.000 0.000 0.503 15 P HA 0.130 4.550 4.420 -0.000 0.000 0.274 15 P C -0.225 177.084 177.300 0.016 0.000 1.231 15 P CA -0.666 62.445 63.100 0.018 0.000 0.790 15 P CB 1.330 32.872 31.700 -0.262 0.000 0.951 16 L N 2.472 123.588 121.223 -0.178 0.000 2.281 16 L HA 0.297 4.638 4.340 0.002 0.000 0.285 16 L C 0.541 177.243 176.870 -0.279 0.000 1.074 16 L CA -0.345 54.266 54.840 -0.382 0.000 0.817 16 L CB -0.026 41.469 42.059 -0.941 0.000 1.168 16 L HN 0.293 8.523 8.230 -0.000 0.000 0.434 17 K N 5.141 125.389 120.400 -0.252 0.000 2.349 17 K HA 0.322 4.643 4.320 0.002 0.000 0.288 17 K C -1.121 175.252 176.600 -0.379 0.000 1.058 17 K CA -0.318 55.660 56.287 -0.515 0.000 0.953 17 K CB 0.145 32.453 32.500 -0.321 0.000 0.997 17 K HN 0.777 9.027 8.250 -0.000 0.000 0.477 18 C N 3.146 122.189 119.300 -0.427 0.000 2.822 18 C HA 0.594 5.056 4.460 0.002 0.000 0.341 18 C C -0.933 173.916 174.990 -0.236 0.000 1.301 18 C CA -1.051 57.809 59.018 -0.263 0.000 1.706 18 C CB 1.807 29.409 27.740 -0.231 0.000 2.178 18 C HN 0.714 8.944 8.230 -0.000 0.000 0.481 19 K N 1.330 121.629 120.400 -0.169 0.000 2.316 19 K HA 0.524 4.845 4.320 0.002 0.000 0.251 19 K C -0.944 175.573 176.600 -0.137 0.000 0.934 19 K CA -0.466 55.734 56.287 -0.144 0.000 0.802 19 K CB 1.563 33.995 32.500 -0.115 0.000 1.171 19 K HN 0.450 8.700 8.250 -0.000 0.000 0.426 20 I N 3.817 124.304 120.570 -0.139 0.000 2.436 20 I HA -0.015 4.156 4.170 0.002 0.000 0.289 20 I C 1.458 177.507 176.117 -0.113 0.000 1.083 20 I CA 0.222 61.436 61.300 -0.143 0.000 1.372 20 I CB 0.571 38.471 38.000 -0.168 0.000 1.408 20 I HN 0.320 8.530 8.210 -0.000 0.000 0.516 21 V N 5.100 124.954 119.914 -0.100 0.000 2.575 21 V HA 0.095 4.217 4.120 0.002 0.000 0.242 21 V C 0.577 176.636 176.094 -0.058 0.000 1.045 21 V CA 1.149 63.407 62.300 -0.071 0.000 1.065 21 V CB -0.033 31.757 31.823 -0.056 0.000 0.717 21 V HN 0.722 8.912 8.190 -0.000 0.000 0.467 22 D N -0.903 119.460 120.400 -0.062 0.000 2.596 22 D HA 0.423 5.064 4.640 0.002 0.000 0.234 22 D C -1.136 175.130 176.300 -0.057 0.000 1.181 22 D CA -0.527 53.452 54.000 -0.034 0.000 0.856 22 D CB 2.447 43.262 40.800 0.026 0.000 1.498 22 D HN 0.061 8.431 8.370 -0.000 0.000 0.446 23 K N 2.461 122.845 120.400 -0.026 0.000 2.637 23 K HA 0.517 4.838 4.320 0.002 0.000 0.248 23 K C -1.529 175.126 176.600 0.092 0.000 0.971 23 K CA -0.470 55.803 56.287 -0.024 0.000 0.858 23 K CB 0.763 33.178 32.500 -0.142 0.000 1.170 23 K HN 0.406 8.656 8.250 -0.000 0.000 0.443 24 I N 2.891 123.578 120.570 0.194 0.000 2.498 24 I HA 0.196 4.367 4.170 0.002 0.000 0.290 24 I C -0.394 175.816 176.117 0.154 0.000 1.032 24 I CA -1.150 60.258 61.300 0.180 0.000 1.073 24 I CB 1.896 39.994 38.000 0.163 0.000 1.251 24 I HN 0.555 8.765 8.210 -0.000 0.000 0.426 25 N N 6.084 124.816 118.700 0.053 0.000 2.438 25 N HA 0.123 4.865 4.740 0.002 0.000 0.267 25 N C 0.448 175.860 175.510 -0.163 0.000 1.222 25 N CA 0.424 53.364 53.050 -0.183 0.000 0.930 25 N CB 0.895 39.289 38.487 -0.155 0.000 1.083 25 N HN 0.642 9.022 8.380 -0.000 0.000 0.476 26 L N 2.820 123.912 121.223 -0.219 0.000 2.418 26 L HA 0.055 4.396 4.340 0.002 0.000 0.218 26 L C 0.664 177.429 176.870 -0.175 0.000 1.125 26 L CA 0.196 54.906 54.840 -0.216 0.000 0.835 26 L CB 0.058 41.949 42.059 -0.280 0.000 0.953 26 L HN 0.441 8.671 8.230 -0.000 0.000 0.454 27 V N -2.659 117.156 119.914 -0.166 0.000 3.096 27 V HA 0.474 4.595 4.120 0.002 0.000 0.319 27 V C -0.059 175.972 176.094 -0.104 0.000 1.082 27 V CA -1.022 61.207 62.300 -0.118 0.000 1.022 27 V CB 1.576 33.334 31.823 -0.110 0.000 1.103 27 V HN 0.082 8.272 8.190 -0.000 0.000 0.455 28 R N 1.165 121.614 120.500 -0.084 0.000 2.828 28 R HA 0.499 4.840 4.340 0.002 0.000 0.264 28 R C -2.013 174.243 176.300 -0.074 0.000 1.022 28 R CA -1.781 54.274 56.100 -0.075 0.000 1.021 28 R CB 1.325 31.583 30.300 -0.070 0.000 1.163 28 R HN 0.432 8.702 8.270 -0.000 0.000 0.494 29 P HA -0.206 4.214 4.420 -0.000 0.000 0.218 29 P C -0.051 177.212 177.300 -0.062 0.000 1.152 29 P CA 1.577 64.641 63.100 -0.060 0.000 0.857 29 P CB 0.072 31.741 31.700 -0.052 0.000 0.787 30 N N -1.377 117.279 118.700 -0.072 0.000 2.571 30 N HA -0.015 4.727 4.740 0.002 0.000 0.189 30 N C 0.392 175.873 175.510 -0.048 0.000 1.154 30 N CA -0.122 52.883 53.050 -0.075 0.000 0.907 30 N CB -0.101 38.317 38.487 -0.115 0.000 0.977 30 N HN 0.073 8.453 8.380 -0.000 0.000 0.449 31 S N 1.039 116.709 115.700 -0.050 0.000 2.545 31 S HA 0.186 4.658 4.470 0.002 0.000 0.275 31 S C -1.529 173.024 174.600 -0.077 0.000 1.299 31 S CA -1.605 56.575 58.200 -0.034 0.000 1.048 31 S CB 0.869 64.041 63.200 -0.047 0.000 0.938 31 S HN 0.106 8.416 8.310 -0.000 0.000 0.496 32 P HA 0.139 4.559 4.420 -0.000 0.000 0.255 32 P C -0.442 176.769 177.300 -0.147 0.000 1.248 32 P CA 0.104 63.094 63.100 -0.183 0.000 0.807 32 P CB 0.071 31.557 31.700 -0.356 0.000 1.150 33 N N 0.885 119.511 118.700 -0.124 0.000 2.489 33 N HA 0.199 4.940 4.740 0.002 0.000 0.284 33 N C -0.344 175.098 175.510 -0.112 0.000 1.158 33 N CA -0.186 52.799 53.050 -0.108 0.000 0.965 33 N CB 1.379 39.815 38.487 -0.085 0.000 1.195 33 N HN 0.054 8.434 8.380 -0.000 0.000 0.506 34 E N 0.771 120.904 120.200 -0.112 0.000 2.185 34 E HA 0.450 4.802 4.350 0.002 0.000 0.261 34 E C -1.660 174.821 176.600 -0.199 0.000 0.879 34 E CA -0.641 55.659 56.400 -0.166 0.000 0.756 34 E CB 1.272 30.938 29.700 -0.056 0.000 1.152 34 E HN 0.297 8.657 8.360 -0.000 0.000 0.416 35 V N 5.065 124.771 119.914 -0.346 0.000 2.733 35 V HA 0.495 4.616 4.120 0.002 0.000 0.306 35 V C -2.097 173.751 176.094 -0.409 0.000 1.084 35 V CA -0.471 61.676 62.300 -0.255 0.000 0.905 35 V CB 1.217 32.976 31.823 -0.106 0.000 1.010 35 V HN 0.647 8.837 8.190 -0.000 0.000 0.424 36 Y N 4.734 125.006 120.300 -0.046 0.000 2.341 36 Y HA 0.569 5.121 4.550 0.002 0.000 0.337 36 Y C 0.147 176.025 175.900 -0.035 0.000 1.014 36 Y CA -0.300 57.768 58.100 -0.054 0.000 1.111 36 Y CB 1.567 39.971 38.460 -0.093 0.000 1.194 36 Y HN 0.922 9.202 8.280 -0.000 0.000 0.462 37 H N 3.886 122.973 119.070 0.029 0.000 2.652 37 H HA 0.464 5.021 4.556 0.002 0.000 0.298 37 H C -1.404 173.939 175.328 0.026 0.000 1.076 37 H CA -0.332 55.722 56.048 0.011 0.000 1.360 37 H CB 0.354 30.099 29.762 -0.028 0.000 1.421 37 H HN 0.616 8.896 8.280 -0.000 0.000 0.464 38 L N 5.019 125.991 121.223 -0.418 0.000 2.272 38 L HA 0.295 4.636 4.340 0.002 0.000 0.289 38 L C 0.254 176.828 176.870 -0.493 0.000 1.032 38 L CA -0.525 54.093 54.840 -0.370 0.000 0.810 38 L CB 1.423 43.320 42.059 -0.269 0.000 1.205 38 L HN 0.688 8.918 8.230 -0.000 0.000 0.422 39 E N 4.141 124.146 120.200 -0.325 0.000 2.200 39 E HA 0.480 4.831 4.350 0.002 0.000 0.283 39 E C -1.095 175.419 176.600 -0.142 0.000 1.015 39 E CA -0.436 55.850 56.400 -0.190 0.000 0.819 39 E CB 1.127 30.796 29.700 -0.051 0.000 1.081 39 E HN 0.460 8.820 8.360 -0.000 0.000 0.397 40 I N 4.284 124.784 120.570 -0.117 0.000 2.436 40 I HA 0.190 4.361 4.170 0.002 0.000 0.289 40 I C -0.263 175.826 176.117 -0.047 0.000 1.010 40 I CA -0.885 60.350 61.300 -0.108 0.000 1.098 40 I CB 1.685 39.592 38.000 -0.154 0.000 1.266 40 I HN 0.428 8.638 8.210 -0.000 0.000 0.434 41 N N 5.370 124.019 118.700 -0.085 0.000 2.414 41 N HA 0.120 4.861 4.740 0.002 0.000 0.256 41 N C 0.091 175.534 175.510 -0.112 0.000 1.029 41 N CA -0.155 52.819 53.050 -0.127 0.000 0.948 41 N CB 0.623 39.037 38.487 -0.123 0.000 1.102 41 N HN 0.647 9.027 8.380 -0.000 0.000 0.496 42 H N 1.447 120.471 119.070 -0.077 0.000 2.674 42 H HA 0.395 4.952 4.556 0.002 0.000 0.274 42 H C -0.161 175.149 175.328 -0.031 0.000 1.121 42 H CA -0.508 55.493 56.048 -0.078 0.000 1.132 42 H CB -0.039 29.694 29.762 -0.048 0.000 1.606 42 H HN 0.387 8.667 8.280 -0.000 0.000 0.558 43 N N 0.885 119.417 118.700 -0.280 0.000 2.735 43 N HA -0.167 4.574 4.740 0.002 0.000 0.248 43 N C 1.369 176.817 175.510 -0.103 0.000 1.083 43 N CA 1.376 54.327 53.050 -0.165 0.000 0.703 43 N CB -1.479 36.970 38.487 -0.063 0.000 1.005 43 N HN 0.973 9.353 8.380 -0.000 0.000 0.550 44 G N -1.974 106.685 108.800 -0.235 0.000 2.196 44 G HA2 -0.371 3.591 3.960 0.002 0.000 0.268 44 G HA3 -0.371 3.591 3.960 0.002 0.000 0.268 44 G C 0.890 175.954 174.900 0.273 0.000 0.975 44 G CA 0.670 45.808 45.100 0.063 0.000 0.648 44 G HN 0.370 8.660 8.290 -0.000 0.000 0.538 45 L N -0.836 120.603 121.223 0.359 0.000 2.240 45 L HA 0.444 4.785 4.340 0.002 0.000 0.211 45 L C 1.296 178.342 176.870 0.294 0.000 1.106 45 L CA 0.492 55.498 54.840 0.276 0.000 0.793 45 L CB -0.541 41.645 42.059 0.212 0.000 0.927 45 L HN 0.325 8.555 8.230 -0.000 0.000 0.446 46 F N 1.814 121.824 119.950 0.100 0.000 2.444 46 F HA 0.249 4.777 4.527 0.002 0.000 0.360 46 F C 0.572 176.269 175.800 -0.172 0.000 1.106 46 F CA -0.423 57.490 58.000 -0.144 0.000 1.170 46 F CB 0.104 38.812 39.000 -0.488 0.000 1.113 46 F HN -0.204 8.096 8.300 -0.000 0.000 0.521 47 K N 7.345 127.419 120.400 -0.542 0.000 2.185 47 K HA 0.355 4.676 4.320 0.002 0.000 0.269 47 K C -1.315 174.840 176.600 -0.740 0.000 0.987 47 K CA -0.533 55.272 56.287 -0.803 0.000 0.865 47 K CB 1.949 33.787 32.500 -1.104 0.000 1.090 47 K HN 0.743 8.993 8.250 -0.000 0.000 0.450 48 Y N -0.742 119.162 120.300 -0.660 0.000 2.641 48 Y HA 0.519 5.070 4.550 0.003 0.000 0.333 48 Y C -1.502 174.532 175.900 0.224 0.000 1.174 48 Y CA -1.323 56.719 58.100 -0.098 0.000 1.057 48 Y CB 0.932 39.436 38.460 0.074 0.000 1.322 48 Y HN 0.308 8.588 8.280 -0.000 0.000 0.457 49 L N 2.054 123.751 121.223 0.789 0.000 2.334 49 L HA 0.495 4.836 4.340 0.002 0.000 0.272 49 L C -0.336 176.742 176.870 0.346 0.000 1.020 49 L CA -1.264 53.798 54.840 0.371 0.000 0.812 49 L CB 1.527 43.725 42.059 0.233 0.000 1.264 49 L HN 0.668 8.898 8.230 -0.000 0.000 0.439 50 E N 0.998 121.331 120.200 0.222 0.000 2.529 50 E HA 0.221 4.573 4.350 0.002 0.000 0.259 50 E C 0.847 177.586 176.600 0.233 0.000 0.966 50 E CA 1.479 58.023 56.400 0.241 0.000 0.937 50 E CB 0.217 30.061 29.700 0.239 0.000 0.923 50 E HN 0.774 9.134 8.360 -0.000 0.000 0.468 51 G N 2.266 111.110 108.800 0.073 0.000 2.232 51 G HA2 -0.280 3.681 3.960 0.002 0.000 0.226 51 G HA3 -0.280 3.681 3.960 0.002 0.000 0.226 51 G C 0.040 174.991 174.900 0.085 0.000 0.996 51 G CA 0.042 45.161 45.100 0.031 0.000 0.626 51 G HN 0.682 8.972 8.290 -0.000 0.000 0.509 52 H N 0.694 119.860 119.070 0.161 0.000 2.745 52 H HA 0.534 5.091 4.556 0.002 0.000 0.373 52 H C 0.718 176.072 175.328 0.044 0.000 1.226 52 H CA 1.203 57.325 56.048 0.124 0.000 1.435 52 H CB 1.061 30.927 29.762 0.173 0.000 1.461 52 H HN 0.203 8.483 8.280 -0.000 0.000 0.616 53 T N 0.810 115.502 114.554 0.229 0.000 2.940 53 T HA 0.484 4.835 4.350 0.002 0.000 0.288 53 T C -0.451 174.370 174.700 0.201 0.000 1.033 53 T CA -0.741 61.432 62.100 0.123 0.000 1.033 53 T CB 0.201 69.105 68.868 0.059 0.000 1.079 53 T HN 0.756 8.996 8.240 -0.000 0.000 0.496 54 C N 1.257 120.643 119.300 0.145 0.000 2.595 54 C HA 1.015 5.476 4.460 0.002 0.000 0.338 54 C C 0.731 175.850 174.990 0.214 0.000 1.219 54 C CA -0.844 58.298 59.018 0.206 0.000 1.811 54 C CB 0.447 28.099 27.740 -0.148 0.000 2.313 54 C HN 1.031 9.261 8.230 -0.000 0.000 0.499 55 G N 0.476 109.434 108.800 0.264 0.000 2.371 55 G HA2 0.677 4.638 3.960 0.002 0.000 0.326 55 G HA3 0.677 4.638 3.960 0.002 0.000 0.326 55 G C -1.074 173.897 174.900 0.119 0.000 1.127 55 G CA -0.659 44.535 45.100 0.156 0.000 0.885 55 G HN 0.864 9.154 8.290 -0.000 0.000 0.477 56 I N 1.590 122.255 120.570 0.159 0.000 2.378 56 I HA 0.313 4.484 4.170 0.002 0.000 0.291 56 I C -0.377 175.776 176.117 0.061 0.000 0.992 56 I CA -0.631 60.728 61.300 0.099 0.000 1.154 56 I CB 2.143 40.210 38.000 0.112 0.000 1.315 56 I HN 0.226 8.436 8.210 -0.000 0.000 0.448 57 I N 8.363 128.932 120.570 -0.003 0.000 2.307 57 I HA 0.270 4.441 4.170 0.002 0.000 0.287 57 I C -2.233 173.729 176.117 -0.258 0.000 1.054 57 I CA -1.868 59.412 61.300 -0.032 0.000 1.218 57 I CB 0.633 38.646 38.000 0.020 0.000 1.398 57 I HN 0.208 8.418 8.210 -0.000 0.000 0.475 58 P HA 0.039 4.459 4.420 -0.000 0.000 0.268 58 P C -0.662 176.179 177.300 -0.765 0.000 1.204 58 P CA 0.209 62.556 63.100 -1.255 0.000 0.768 58 P CB 0.109 31.215 31.700 -0.990 0.000 0.842 59 Y N -1.401 118.323 120.300 -0.962 0.000 4.604 59 Y HA -0.281 4.271 4.550 0.002 0.000 0.230 59 Y C 0.462 176.275 175.900 -0.145 0.000 1.066 59 Y CA 0.432 58.358 58.100 -0.291 0.000 1.990 59 Y CB -3.145 35.217 38.460 -0.162 0.000 1.619 59 Y HN 0.369 8.649 8.280 -0.000 0.000 0.649 60 Y N 2.088 122.269 120.300 -0.198 0.000 2.497 60 Y HA 0.358 4.910 4.550 0.002 0.000 0.334 60 Y C 0.650 176.351 175.900 -0.331 0.000 1.199 60 Y CA 0.232 58.154 58.100 -0.297 0.000 1.425 60 Y CB 0.497 38.651 38.460 -0.509 0.000 1.291 60 Y HN 0.308 8.588 8.280 -0.000 0.000 0.562 61 N N 2.456 120.683 118.700 -0.787 0.000 2.732 61 N HA 0.265 5.007 4.740 0.002 0.000 0.259 61 N C -1.576 173.574 175.510 -0.601 0.000 1.402 61 N CA -0.717 52.068 53.050 -0.442 0.000 0.829 61 N CB 1.430 39.807 38.487 -0.183 0.000 1.495 61 N HN 0.728 9.108 8.380 -0.000 0.000 0.511 95 K N 0.209 120.578 120.400 -0.051 0.000 2.316 95 K HA 0.582 4.903 4.320 0.002 0.000 0.234 95 K C -0.458 176.111 176.600 -0.052 0.000 1.054 95 K CA -0.898 55.361 56.287 -0.047 0.000 0.879 95 K CB 1.660 34.135 32.500 -0.042 0.000 1.252 95 K HN 0.415 8.665 8.250 -0.000 0.000 0.471 96 K N 1.594 121.965 120.400 -0.047 0.000 3.101 96 K HA 0.105 4.426 4.320 0.002 0.000 0.229 96 K C -0.574 176.009 176.600 -0.028 0.000 1.232 96 K CA 0.008 56.265 56.287 -0.049 0.000 1.210 96 K CB 0.435 32.908 32.500 -0.046 0.000 1.284 96 K HN 0.278 8.528 8.250 -0.000 0.000 0.448 97 Q N 1.519 121.311 119.800 -0.012 0.000 2.402 97 Q HA 0.122 4.464 4.340 0.002 0.000 0.238 97 Q C -0.394 175.643 176.000 0.061 0.000 1.126 97 Q CA 0.074 55.881 55.803 0.006 0.000 0.904 97 Q CB 0.607 29.347 28.738 0.002 0.000 1.357 97 Q HN 0.103 8.373 8.270 -0.000 0.000 0.491 98 R N 2.247 122.779 120.500 0.053 0.000 2.825 98 R HA 0.242 4.584 4.340 0.002 0.000 0.261 98 R C -0.969 175.382 176.300 0.085 0.000 1.341 98 R CA -0.202 55.958 56.100 0.100 0.000 1.353 98 R CB 0.111 30.477 30.300 0.109 0.000 1.191 98 R HN 0.527 8.797 8.270 -0.000 0.000 0.590 99 C N 2.494 121.867 119.300 0.122 0.000 2.317 99 C HA 0.505 4.966 4.460 0.002 0.000 0.306 99 C C 0.797 175.874 174.990 0.145 0.000 1.087 99 C CA -1.086 57.990 59.018 0.098 0.000 1.529 99 C CB 0.061 27.816 27.740 0.024 0.000 1.880 99 C HN 0.704 8.934 8.230 -0.000 0.000 0.417 100 A N 3.370 126.237 122.820 0.079 0.000 2.316 100 A HA 0.850 5.171 4.320 0.002 0.000 0.284 100 A C -0.062 177.539 177.584 0.028 0.000 1.115 100 A CA -0.252 51.824 52.037 0.065 0.000 0.812 100 A CB 0.599 19.623 19.000 0.040 0.000 1.064 100 A HN 0.800 8.950 8.150 -0.000 0.000 0.489 101 R N 0.177 120.706 120.500 0.048 0.000 2.711 101 R HA 0.642 4.983 4.340 0.002 0.000 0.284 101 R C -1.014 175.131 176.300 -0.259 0.000 0.968 101 R CA -0.446 55.596 56.100 -0.095 0.000 0.924 101 R CB 1.439 31.740 30.300 0.002 0.000 1.162 101 R HN 0.682 8.952 8.270 -0.000 0.000 0.465 102 L N 3.186 124.099 121.223 -0.518 0.000 2.312 102 L HA 0.495 4.836 4.340 0.002 0.000 0.281 102 L C -0.853 175.480 176.870 -0.895 0.000 1.070 102 L CA -0.441 54.108 54.840 -0.485 0.000 0.805 102 L CB 0.601 42.435 42.059 -0.375 0.000 1.174 102 L HN 0.526 8.756 8.230 -0.000 0.000 0.434 103 Y N 0.221 120.443 120.300 -0.129 0.000 2.421 103 Y HA 0.272 4.823 4.550 0.002 0.000 0.339 103 Y C 0.128 175.948 175.900 -0.134 0.000 0.996 103 Y CA -0.767 57.247 58.100 -0.142 0.000 1.046 103 Y CB 2.184 40.588 38.460 -0.094 0.000 1.226 103 Y HN 0.448 8.728 8.280 -0.000 0.000 0.445 104 S N 3.671 119.357 115.700 -0.024 0.000 2.549 104 S HA 0.383 4.854 4.470 0.002 0.000 0.279 104 S C -0.014 174.549 174.600 -0.063 0.000 1.321 104 S CA -0.518 57.646 58.200 -0.060 0.000 1.054 104 S CB 0.105 63.247 63.200 -0.096 0.000 0.899 104 S HN 0.406 8.716 8.310 -0.000 0.000 0.497 105 I N 2.907 123.405 120.570 -0.120 0.000 2.471 105 I HA 0.076 4.247 4.170 0.002 0.000 0.286 105 I C 1.095 177.106 176.117 -0.177 0.000 1.079 105 I CA -0.096 61.085 61.300 -0.200 0.000 1.398 105 I CB 1.034 38.796 38.000 -0.398 0.000 1.403 105 I HN 0.727 8.937 8.210 -0.000 0.000 0.530 106 S N 2.241 117.854 115.700 -0.145 0.000 2.568 106 S HA 0.169 4.640 4.470 0.002 0.000 0.232 106 S C 0.449 174.939 174.600 -0.183 0.000 0.975 106 S CA -0.584 57.487 58.200 -0.216 0.000 0.949 106 S CB -0.169 62.876 63.200 -0.258 0.000 0.829 106 S HN 0.668 8.978 8.310 -0.000 0.000 0.479 107 S N 0.646 116.306 115.700 -0.067 0.000 2.747 107 S HA 0.741 5.212 4.470 0.002 0.000 0.300 107 S C -0.184 174.497 174.600 0.135 0.000 1.121 107 S CA -0.683 57.541 58.200 0.040 0.000 0.995 107 S CB 1.473 64.740 63.200 0.111 0.000 1.113 107 S HN 0.153 8.463 8.310 -0.000 0.000 0.547 108 S N -0.642 115.152 115.700 0.157 0.000 2.617 108 S HA 0.348 4.819 4.470 0.002 0.000 0.283 108 S C 1.180 175.871 174.600 0.153 0.000 1.189 108 S CA -0.840 57.452 58.200 0.153 0.000 1.036 108 S CB 0.294 63.556 63.200 0.103 0.000 1.014 108 S HN 0.758 9.068 8.310 -0.000 0.000 0.522 109 N N 2.265 120.968 118.700 0.005 0.000 2.137 109 N HA -0.172 4.570 4.740 0.002 0.000 0.190 109 N C 1.303 176.772 175.510 -0.069 0.000 1.017 109 N CA 1.351 54.275 53.050 -0.211 0.000 0.859 109 N CB -0.249 38.098 38.487 -0.234 0.000 1.002 109 N HN 0.698 9.078 8.380 -0.000 0.000 0.428 110 N N 0.802 119.504 118.700 0.004 0.000 2.494 110 N HA -0.078 4.663 4.740 0.002 0.000 0.182 110 N C 0.301 175.844 175.510 0.054 0.000 1.076 110 N CA 0.303 53.368 53.050 0.024 0.000 0.908 110 N CB -0.012 38.495 38.487 0.033 0.000 0.967 110 N HN 0.243 8.623 8.380 -0.000 0.000 0.449 111 M N 1.022 120.677 119.600 0.092 0.000 2.235 111 M HA 0.080 4.562 4.480 0.002 0.000 0.351 111 M C 1.560 177.925 176.300 0.107 0.000 1.178 111 M CA -0.131 55.234 55.300 0.108 0.000 1.143 111 M CB 1.682 34.369 32.600 0.144 0.000 1.530 111 M HN 0.053 8.343 8.290 -0.000 0.000 0.461 112 E N 2.308 122.542 120.200 0.057 0.000 2.023 112 E HA -0.160 4.192 4.350 0.002 0.000 0.196 112 E C 0.151 176.740 176.600 -0.019 0.000 1.003 112 E CA 1.226 57.626 56.400 -0.000 0.000 0.809 112 E CB 0.376 30.058 29.700 -0.028 0.000 0.755 112 E HN 0.598 8.958 8.360 -0.000 0.000 0.449 113 N N 0.309 119.027 118.700 0.029 0.000 2.476 113 N HA 0.262 5.003 4.740 0.002 0.000 0.275 113 N C -0.454 175.169 175.510 0.189 0.000 1.190 113 N CA -0.349 52.737 53.050 0.059 0.000 0.977 113 N CB 1.300 39.796 38.487 0.014 0.000 1.200 113 N HN 0.070 8.450 8.380 -0.000 0.000 0.515 114 L N -1.970 119.366 121.223 0.188 0.000 2.322 114 L HA 0.741 5.082 4.340 0.002 0.000 0.269 114 L C -0.025 176.815 176.870 -0.051 0.000 1.012 114 L CA -0.509 54.373 54.840 0.071 0.000 0.815 114 L CB 1.360 43.367 42.059 -0.086 0.000 1.295 114 L HN 0.237 8.467 8.230 -0.000 0.000 0.438 115 S N 0.678 116.335 115.700 -0.072 0.000 2.578 115 S HA 0.920 5.391 4.470 0.002 0.000 0.301 115 S C -0.756 173.775 174.600 -0.114 0.000 1.091 115 S CA -0.667 57.483 58.200 -0.084 0.000 1.032 115 S CB 2.021 65.296 63.200 0.125 0.000 1.064 115 S HN 0.609 8.919 8.310 -0.000 0.000 0.508 116 V N 0.845 120.691 119.914 -0.115 0.000 2.924 116 V HA 0.706 4.827 4.120 0.002 0.000 0.300 116 V C -1.230 174.883 176.094 0.032 0.000 1.227 116 V CA -0.644 61.628 62.300 -0.047 0.000 0.954 116 V CB 2.088 33.830 31.823 -0.135 0.000 1.055 116 V HN 1.052 9.242 8.190 -0.000 0.000 0.429 117 A N 6.120 129.023 122.820 0.138 0.000 2.304 117 A HA 0.904 5.226 4.320 0.002 0.000 0.314 117 A C -0.947 176.700 177.584 0.105 0.000 1.187 117 A CA -0.380 51.741 52.037 0.140 0.000 0.810 117 A CB 0.647 19.774 19.000 0.212 0.000 1.183 117 A HN 0.709 8.859 8.150 -0.000 0.000 0.487 118 I N 2.600 123.196 120.570 0.044 0.000 2.410 118 I HA 0.280 4.452 4.170 0.002 0.000 0.286 118 I C 0.218 176.397 176.117 0.103 0.000 1.009 118 I CA -0.560 60.770 61.300 0.049 0.000 1.111 118 I CB 1.845 39.742 38.000 -0.171 0.000 1.262 118 I HN 0.674 8.884 8.210 -0.000 0.000 0.443 119 K N 6.610 127.101 120.400 0.151 0.000 2.368 119 K HA 0.303 4.624 4.320 0.002 0.000 0.282 119 K C -0.530 176.124 176.600 0.091 0.000 1.035 119 K CA -0.471 55.849 56.287 0.054 0.000 0.973 119 K CB 0.760 33.250 32.500 -0.016 0.000 0.957 119 K HN 0.440 8.690 8.250 -0.000 0.000 0.474 120 I N 6.059 126.670 120.570 0.068 0.000 2.301 120 I HA 0.093 4.265 4.170 0.002 0.000 0.292 120 I C 0.427 176.620 176.117 0.128 0.000 1.046 120 I CA -0.307 61.110 61.300 0.195 0.000 1.282 120 I CB 0.349 38.511 38.000 0.271 0.000 1.409 120 I HN 0.549 8.759 8.210 -0.000 0.000 0.484 121 H N 6.392 125.603 119.070 0.234 0.000 2.646 121 H HA 0.371 4.928 4.556 0.002 0.000 0.325 121 H C -0.134 175.303 175.328 0.182 0.000 1.075 121 H CA -0.114 56.054 56.048 0.199 0.000 1.421 121 H CB 1.671 31.559 29.762 0.212 0.000 1.461 121 H HN 0.403 8.683 8.280 -0.000 0.000 0.525 122 K N 2.744 123.245 120.400 0.168 0.000 2.375 122 K HA 0.336 4.658 4.320 0.002 0.000 0.249 122 K C -1.205 175.474 176.600 0.132 0.000 0.942 122 K CA -0.812 55.452 56.287 -0.039 0.000 0.806 122 K CB 2.481 34.853 32.500 -0.212 0.000 1.227 122 K HN 0.505 8.755 8.250 -0.000 0.000 0.430 123 Y N -1.210 119.031 120.300 -0.099 0.000 2.689 123 Y HA 0.548 5.100 4.550 0.002 0.000 0.333 123 Y C -0.813 175.044 175.900 -0.072 0.000 1.190 123 Y CA -1.151 56.917 58.100 -0.053 0.000 1.063 123 Y CB 1.174 39.630 38.460 -0.007 0.000 1.294 123 Y HN 0.667 8.947 8.280 -0.000 0.000 0.466 134 N N 0.118 118.444 118.700 -0.624 0.000 2.472 134 N HA 0.574 5.316 4.740 0.002 0.000 0.289 134 N C -1.438 173.566 175.510 -0.843 0.000 1.156 134 N CA -0.462 52.153 53.050 -0.725 0.000 0.940 134 N CB 1.445 39.225 38.487 -1.179 0.000 1.200 134 N HN 0.544 8.924 8.380 -0.000 0.000 0.511 135 Y N -0.694 119.489 120.300 -0.195 0.000 2.524 135 Y HA 0.388 4.939 4.550 0.002 0.000 0.344 135 Y C 1.181 177.269 175.900 0.312 0.000 1.012 135 Y CA -0.782 57.363 58.100 0.075 0.000 1.068 135 Y CB 1.089 39.606 38.460 0.095 0.000 1.249 135 Y HN 0.527 8.807 8.280 -0.000 0.000 0.468 136 G N 0.293 109.410 108.800 0.529 0.000 2.771 136 G HA2 -0.178 3.783 3.960 0.002 0.000 0.242 136 G HA3 -0.178 3.783 3.960 0.002 0.000 0.242 136 G C 0.295 175.456 174.900 0.435 0.000 1.233 136 G CA 0.125 45.493 45.100 0.447 0.000 0.858 136 G HN 0.817 9.107 8.290 -0.000 0.000 0.591 137 Y N -0.209 120.242 120.300 0.253 0.000 2.109 137 Y HA -0.139 4.412 4.550 0.002 0.000 0.285 137 Y C 2.779 178.857 175.900 0.297 0.000 1.131 137 Y CA 1.881 60.134 58.100 0.256 0.000 1.121 137 Y CB -0.689 37.876 38.460 0.176 0.000 0.987 137 Y HN 0.444 8.724 8.280 -0.000 0.000 0.495 138 C N -0.360 119.033 119.300 0.156 0.000 2.457 138 C HA -0.068 4.394 4.460 0.002 0.000 0.278 138 C C 2.899 177.984 174.990 0.157 0.000 1.309 138 C CA 1.545 60.614 59.018 0.085 0.000 1.735 138 C CB -1.483 26.396 27.740 0.232 0.000 1.992 138 C HN 0.706 8.936 8.230 -0.000 0.000 0.493 139 S N 0.609 116.452 115.700 0.239 0.000 2.365 139 S HA -0.124 4.348 4.470 0.002 0.000 0.225 139 S C 1.962 176.630 174.600 0.112 0.000 1.039 139 S CA 1.772 60.117 58.200 0.242 0.000 1.033 139 S CB -0.855 62.588 63.200 0.404 0.000 0.887 139 S HN 0.837 9.147 8.310 -0.000 0.000 0.447 140 G N 0.491 109.372 108.800 0.135 0.000 2.408 140 G HA2 -0.177 3.785 3.960 0.002 0.000 0.217 140 G HA3 -0.177 3.785 3.960 0.002 0.000 0.217 140 G C 1.229 176.074 174.900 -0.091 0.000 1.150 140 G CA 0.649 45.711 45.100 -0.063 0.000 0.776 140 G HN 0.519 8.809 8.290 -0.000 0.000 0.542 141 F N 1.457 121.274 119.950 -0.221 0.000 2.134 141 F HA 0.023 4.551 4.527 0.002 0.000 0.299 141 F C 2.336 177.913 175.800 -0.371 0.000 1.097 141 F CA 1.164 58.877 58.000 -0.478 0.000 1.264 141 F CB -0.162 38.297 39.000 -0.900 0.000 1.001 141 F HN 0.110 8.410 8.300 -0.000 0.000 0.479 142 I N 0.236 120.535 120.570 -0.452 0.000 2.252 142 I HA -0.246 3.925 4.170 0.002 0.000 0.245 142 I C 2.508 178.317 176.117 -0.512 0.000 1.102 142 I CA 0.930 61.909 61.300 -0.535 0.000 1.385 142 I CB -0.622 37.209 38.000 -0.281 0.000 1.064 142 I HN 0.024 8.234 8.210 -0.000 0.000 0.414 143 K N 1.237 121.403 120.400 -0.390 0.000 2.044 143 K HA -0.195 4.126 4.320 0.002 0.000 0.210 143 K C 1.576 177.904 176.600 -0.453 0.000 1.049 143 K CA 1.722 57.756 56.287 -0.422 0.000 0.927 143 K CB -0.446 31.766 32.500 -0.480 0.000 0.713 143 K HN 0.353 8.603 8.250 -0.000 0.000 0.443 144 N N 0.532 118.982 118.700 -0.416 0.000 2.467 144 N HA -0.018 4.724 4.740 0.002 0.000 0.184 144 N C 0.348 175.629 175.510 -0.382 0.000 1.106 144 N CA 0.034 52.882 53.050 -0.336 0.000 0.892 144 N CB 0.244 38.597 38.487 -0.223 0.000 0.969 144 N HN 0.152 8.532 8.380 -0.000 0.000 0.454 145 L N 1.709 122.614 121.223 -0.531 0.000 2.525 145 L HA -0.011 4.330 4.340 0.002 0.000 0.278 145 L C 0.597 177.252 176.870 -0.359 0.000 1.218 145 L CA 0.682 55.209 54.840 -0.521 0.000 0.878 145 L CB 0.442 42.120 42.059 -0.634 0.000 1.127 145 L HN -0.120 8.110 8.230 -0.000 0.000 0.492 146 K N 3.021 123.259 120.400 -0.270 0.000 2.166 146 K HA 0.433 4.754 4.320 0.002 0.000 0.245 146 K C -0.707 175.789 176.600 -0.173 0.000 0.967 146 K CA -1.244 54.925 56.287 -0.196 0.000 0.863 146 K CB 1.795 34.210 32.500 -0.142 0.000 1.107 146 K HN 0.210 8.460 8.250 -0.000 0.000 0.436 147 I N 2.952 123.440 120.570 -0.137 0.000 2.752 147 I HA -0.168 4.003 4.170 0.002 0.000 0.289 147 I C 1.269 177.328 176.117 -0.097 0.000 1.197 147 I CA 1.078 62.311 61.300 -0.112 0.000 1.432 147 I CB -0.745 37.205 38.000 -0.084 0.000 1.359 147 I HN 0.790 9.000 8.210 -0.000 0.000 0.571 148 N N 2.346 120.988 118.700 -0.097 0.000 2.948 148 N HA -0.183 4.558 4.740 0.002 0.000 0.239 148 N C -0.318 175.142 175.510 -0.084 0.000 0.954 148 N CA 0.323 53.324 53.050 -0.083 0.000 0.941 148 N CB -0.501 37.948 38.487 -0.064 0.000 1.101 148 N HN 0.631 9.011 8.380 -0.000 0.000 0.579 149 D N 1.383 121.721 120.400 -0.103 0.000 2.357 149 D HA 0.135 4.776 4.640 0.002 0.000 0.242 149 D C -0.072 176.176 176.300 -0.087 0.000 1.153 149 D CA 0.370 54.316 54.000 -0.089 0.000 0.918 149 D CB 0.475 41.197 40.800 -0.129 0.000 1.181 149 D HN 0.081 8.451 8.370 -0.000 0.000 0.435 150 D N 0.685 121.060 120.400 -0.042 0.000 2.389 150 D HA 0.321 4.962 4.640 0.002 0.000 0.247 150 D C -0.063 176.211 176.300 -0.043 0.000 1.128 150 D CA 0.105 54.050 54.000 -0.091 0.000 0.884 150 D CB 0.861 41.650 40.800 -0.018 0.000 1.194 150 D HN 0.222 8.592 8.370 -0.000 0.000 0.441 151 I N 1.852 122.307 120.570 -0.192 0.000 2.619 151 I HA 0.256 4.427 4.170 0.002 0.000 0.292 151 I C -1.587 174.371 176.117 -0.264 0.000 1.100 151 I CA -0.904 60.368 61.300 -0.047 0.000 1.043 151 I CB 1.271 39.252 38.000 -0.032 0.000 1.239 151 I HN 0.172 8.382 8.210 -0.000 0.000 0.420 152 Y N 7.189 127.438 120.300 -0.086 0.000 2.342 152 Y HA 0.480 5.032 4.550 0.002 0.000 0.338 152 Y C -0.466 175.314 175.900 -0.199 0.000 0.965 152 Y CA -0.770 57.208 58.100 -0.205 0.000 1.159 152 Y CB 1.220 39.449 38.460 -0.386 0.000 1.157 152 Y HN 0.235 8.515 8.280 -0.000 0.000 0.486 153 L N 3.416 124.565 121.223 -0.122 0.000 2.334 153 L HA 0.582 4.923 4.340 0.002 0.000 0.275 153 L C 0.425 177.324 176.870 0.050 0.000 1.036 153 L CA -0.497 54.265 54.840 -0.130 0.000 0.807 153 L CB 1.695 43.490 42.059 -0.441 0.000 1.231 153 L HN 0.734 8.964 8.230 -0.000 0.000 0.438 154 T N -1.357 113.311 114.554 0.190 0.000 2.930 154 T HA 0.942 5.293 4.350 0.002 0.000 0.290 154 T C -0.008 174.954 174.700 0.436 0.000 1.052 154 T CA -0.104 62.203 62.100 0.346 0.000 1.017 154 T CB 2.555 71.617 68.868 0.325 0.000 1.137 154 T HN 1.096 9.336 8.240 -0.000 0.000 0.511 155 G N -0.066 108.794 108.800 0.101 0.000 2.315 155 G HA2 0.508 4.470 3.960 0.002 0.000 0.296 155 G HA3 0.508 4.470 3.960 0.002 0.000 0.296 155 G C -0.348 174.245 174.900 -0.512 0.000 1.289 155 G CA -0.221 44.578 45.100 -0.502 0.000 0.996 155 G HN 1.379 9.669 8.290 -0.000 0.000 0.487 156 A N -0.471 121.974 122.820 -0.625 0.000 2.296 156 A HA 0.781 5.103 4.320 0.002 0.000 0.264 156 A C 0.134 177.280 177.584 -0.730 0.000 1.097 156 A CA 0.073 51.775 52.037 -0.558 0.000 0.811 156 A CB 0.280 18.887 19.000 -0.655 0.000 1.072 156 A HN 1.043 9.193 8.150 -0.000 0.000 0.495 157 H N -1.057 117.937 119.070 -0.127 0.000 2.865 157 H HA 0.613 5.170 4.556 0.002 0.000 0.372 157 H C 0.421 175.738 175.328 -0.018 0.000 1.173 157 H CA 0.243 56.231 56.048 -0.100 0.000 1.147 157 H CB 1.455 31.194 29.762 -0.039 0.000 1.805 157 H HN 1.633 9.913 8.280 -0.000 0.000 0.553 158 G N 0.080 108.842 108.800 -0.064 0.000 2.710 158 G HA2 -0.212 3.749 3.960 0.002 0.000 0.668 158 G HA3 -0.212 3.749 3.960 0.002 0.000 0.668 158 G C -1.326 173.359 174.900 -0.357 0.000 1.320 158 G CA -0.339 44.715 45.100 -0.076 0.000 0.860 158 G HN 0.628 8.918 8.290 -0.000 0.000 0.538 159 Y N -1.560 118.922 120.300 0.304 0.000 2.777 159 Y HA 0.370 4.922 4.550 0.002 0.000 0.248 159 Y C 0.753 176.835 175.900 0.303 0.000 1.127 159 Y CA -0.690 57.563 58.100 0.255 0.000 1.149 159 Y CB 0.528 39.118 38.460 0.217 0.000 1.230 159 Y HN 0.501 8.781 8.280 -0.000 0.000 0.586 160 F N 3.105 123.196 119.950 0.235 0.000 2.666 160 F HA 0.307 4.836 4.527 0.003 0.000 0.362 160 F C -0.089 175.886 175.800 0.291 0.000 1.190 160 F CA -0.432 57.736 58.000 0.281 0.000 1.328 160 F CB -0.579 38.553 39.000 0.220 0.000 1.682 160 F HN 0.069 8.369 8.300 -0.000 0.000 0.623 161 N N 2.307 121.071 118.700 0.106 0.000 2.402 161 N HA 0.405 5.147 4.740 0.002 0.000 0.294 161 N C -0.547 174.822 175.510 -0.236 0.000 1.203 161 N CA -0.659 52.371 53.050 -0.032 0.000 0.838 161 N CB 1.936 40.399 38.487 -0.040 0.000 1.306 161 N HN 0.178 8.558 8.380 -0.000 0.000 0.510 162 L N 1.427 122.373 121.223 -0.462 0.000 2.452 162 L HA 0.252 4.593 4.340 0.002 0.000 0.267 162 L C -1.762 175.026 176.870 -0.137 0.000 1.188 162 L CA -1.347 53.207 54.840 -0.476 0.000 0.821 162 L CB -0.171 41.509 42.059 -0.632 0.000 1.102 162 L HN 0.231 8.461 8.230 -0.000 0.000 0.470 163 P HA -0.005 4.415 4.420 -0.000 0.000 0.265 163 P C 0.003 177.301 177.300 -0.004 0.000 1.193 163 P CA -0.194 62.928 63.100 0.037 0.000 0.765 163 P CB 0.271 32.019 31.700 0.080 0.000 0.823 164 N N 1.674 120.375 118.700 0.001 0.000 2.609 164 N HA -0.138 4.603 4.740 0.002 0.000 0.190 164 N C -0.032 175.472 175.510 -0.010 0.000 1.157 164 N CA 0.785 53.829 53.050 -0.010 0.000 0.918 164 N CB -0.451 38.035 38.487 -0.002 0.000 0.978 164 N HN 0.412 8.792 8.380 -0.000 0.000 0.448 165 D N -2.202 118.195 120.400 -0.004 0.000 2.636 165 D HA 0.328 4.969 4.640 0.002 0.000 0.270 165 D C 1.109 177.414 176.300 0.007 0.000 1.430 165 D CA -0.235 53.764 54.000 -0.001 0.000 0.796 165 D CB -0.097 40.703 40.800 0.000 0.000 1.117 165 D HN 0.089 8.459 8.370 -0.000 0.000 0.480 166 A N 1.127 123.951 122.820 0.007 0.000 1.892 166 A HA -0.168 4.153 4.320 0.002 0.000 0.218 166 A C 2.098 179.719 177.584 0.062 0.000 1.188 166 A CA 1.498 53.560 52.037 0.043 0.000 0.631 166 A CB -0.727 18.332 19.000 0.097 0.000 0.822 166 A HN 0.343 8.493 8.150 -0.000 0.000 0.447 167 I N 0.079 120.654 120.570 0.007 0.000 2.179 167 I HA -0.344 3.827 4.170 0.002 0.000 0.242 167 I C 2.889 179.079 176.117 0.121 0.000 1.088 167 I CA 1.883 63.233 61.300 0.083 0.000 1.357 167 I CB -0.616 37.386 38.000 0.004 0.000 1.051 167 I HN 0.679 8.889 8.210 -0.000 0.000 0.409 168 Q N 1.219 121.055 119.800 0.059 0.000 2.084 168 Q HA -0.167 4.174 4.340 0.002 0.000 0.202 168 Q C 1.770 177.794 176.000 0.041 0.000 0.978 168 Q CA 1.320 57.150 55.803 0.045 0.000 0.844 168 Q CB -0.205 28.547 28.738 0.024 0.000 0.898 168 Q HN 0.233 8.503 8.270 -0.000 0.000 0.426 169 K N 0.544 120.965 120.400 0.036 0.000 2.444 169 K HA 0.071 4.392 4.320 0.002 0.000 0.193 169 K C -0.116 176.495 176.600 0.020 0.000 1.024 169 K CA 0.183 56.478 56.287 0.013 0.000 1.077 169 K CB -0.011 32.484 32.500 -0.009 0.000 0.833 169 K HN 0.331 8.581 8.250 -0.000 0.000 0.517 170 N N 2.237 120.988 118.700 0.085 0.000 2.705 170 N HA -0.132 4.609 4.740 0.002 0.000 0.255 170 N C -0.443 175.095 175.510 0.047 0.000 1.008 170 N CA 1.309 54.417 53.050 0.096 0.000 0.742 170 N CB -1.683 36.774 38.487 -0.050 0.000 0.906 170 N HN 0.438 8.818 8.380 -0.000 0.000 0.541 171 T N -1.681 112.895 114.554 0.035 0.000 2.919 171 T HA 0.243 4.595 4.350 0.002 0.000 0.302 171 T C 0.603 175.048 174.700 -0.425 0.000 1.031 171 T CA -0.572 61.393 62.100 -0.225 0.000 1.127 171 T CB 1.370 70.026 68.868 -0.352 0.000 0.952 171 T HN 0.117 8.357 8.240 -0.000 0.000 0.540 172 N N 1.414 119.851 118.700 -0.438 0.000 2.493 172 N HA 0.523 5.264 4.740 0.002 0.000 0.275 172 N C -0.990 174.096 175.510 -0.708 0.000 1.186 172 N CA -0.291 52.533 53.050 -0.376 0.000 0.978 172 N CB 0.763 39.179 38.487 -0.119 0.000 1.184 172 N HN 0.616 8.996 8.380 -0.000 0.000 0.487 173 F N -0.073 119.765 119.950 -0.188 0.000 2.599 173 F HA 0.546 5.074 4.527 0.002 0.000 0.311 173 F C -0.003 175.542 175.800 -0.425 0.000 1.076 173 F CA -0.863 56.918 58.000 -0.364 0.000 0.937 173 F CB 1.807 40.285 39.000 -0.869 0.000 1.282 173 F HN 0.096 8.396 8.300 -0.000 0.000 0.460 174 I N 2.781 123.327 120.570 -0.041 0.000 2.411 174 I HA 0.330 4.501 4.170 0.002 0.000 0.284 174 I C -1.254 174.918 176.117 0.092 0.000 1.012 174 I CA -0.335 60.974 61.300 0.015 0.000 1.119 174 I CB 1.158 39.332 38.000 0.290 0.000 1.261 174 I HN 0.420 8.630 8.210 -0.000 0.000 0.448 175 F N 6.734 126.676 119.950 -0.013 0.000 2.415 175 F HA 0.571 5.099 4.527 0.002 0.000 0.348 175 F C 0.168 175.880 175.800 -0.147 0.000 1.119 175 F CA -0.873 56.882 58.000 -0.408 0.000 1.069 175 F CB 1.445 39.706 39.000 -1.232 0.000 1.124 175 F HN 0.182 8.482 8.300 -0.000 0.000 0.472 176 I N 3.267 124.019 120.570 0.303 0.000 2.406 176 I HA 0.687 4.858 4.170 0.002 0.000 0.290 176 I C -0.469 175.966 176.117 0.529 0.000 0.999 176 I CA -0.497 61.051 61.300 0.414 0.000 1.124 176 I CB 1.769 39.994 38.000 0.376 0.000 1.289 176 I HN 0.686 8.896 8.210 -0.000 0.000 0.441 177 A N 3.784 126.897 122.820 0.487 0.000 2.556 177 A HA 0.930 5.252 4.320 0.002 0.000 0.294 177 A C -0.598 177.274 177.584 0.479 0.000 1.091 177 A CA -0.576 51.762 52.037 0.501 0.000 0.704 177 A CB 2.016 21.306 19.000 0.483 0.000 1.300 177 A HN 0.641 8.791 8.150 -0.000 0.000 0.406 178 T N -1.200 113.566 114.554 0.353 0.000 2.916 178 T HA 0.696 5.047 4.350 0.002 0.000 0.298 178 T C 0.796 175.682 174.700 0.309 0.000 1.031 178 T CA 0.468 62.749 62.100 0.301 0.000 0.993 178 T CB 1.057 69.983 68.868 0.096 0.000 1.045 178 T HN 2.647 10.887 8.240 -0.000 0.000 0.454 179 G N 2.951 111.954 108.800 0.339 0.000 2.651 179 G HA2 -0.399 3.562 3.960 0.002 0.000 0.315 179 G HA3 -0.399 3.562 3.960 0.002 0.000 0.315 179 G C 1.195 176.317 174.900 0.369 0.000 1.258 179 G CA 1.712 46.987 45.100 0.292 0.000 1.002 179 G HN 2.076 10.366 8.290 -0.000 0.000 0.551 180 T N -0.721 114.001 114.554 0.281 0.000 3.163 180 T HA 0.309 4.660 4.350 0.002 0.000 0.260 180 T C 2.218 177.083 174.700 0.275 0.000 1.156 180 T CA 1.367 63.645 62.100 0.297 0.000 1.072 180 T CB -0.227 68.837 68.868 0.327 0.000 0.937 180 T HN 1.661 9.901 8.240 -0.000 0.000 0.528 181 G N 1.130 110.063 108.800 0.221 0.000 2.708 181 G HA2 0.011 3.972 3.960 0.002 0.000 0.210 181 G HA3 0.011 3.972 3.960 0.002 0.000 0.210 181 G C 1.159 176.042 174.900 -0.028 0.000 1.141 181 G CA 0.228 45.388 45.100 0.100 0.000 0.788 181 G HN 0.572 8.862 8.290 -0.000 0.000 0.531 182 I N 0.072 120.648 120.570 0.010 0.000 3.059 182 I HA 0.059 4.230 4.170 0.002 0.000 0.270 182 I C 2.599 178.605 176.117 -0.184 0.000 1.238 182 I CA 0.586 61.812 61.300 -0.124 0.000 1.478 182 I CB 0.008 37.755 38.000 -0.422 0.000 1.097 182 I HN 0.044 8.254 8.210 -0.000 0.000 0.455 183 S N 2.090 117.727 115.700 -0.106 0.000 2.369 183 S HA -0.143 4.329 4.470 0.002 0.000 0.225 183 S C -0.491 173.871 174.600 -0.396 0.000 1.043 183 S CA 2.321 60.432 58.200 -0.149 0.000 1.074 183 S CB -1.460 61.733 63.200 -0.013 0.000 0.962 183 S HN 0.447 8.757 8.310 -0.000 0.000 0.433 184 P HA -0.080 4.340 4.420 -0.000 0.000 0.223 184 P C 0.694 177.173 177.300 -1.368 0.000 1.151 184 P CA 1.186 63.765 63.100 -0.867 0.000 0.787 184 P CB -0.240 31.033 31.700 -0.712 0.000 0.788 185 Y N -0.523 119.236 120.300 -0.901 0.000 2.314 185 Y HA -0.083 4.469 4.550 0.002 0.000 0.293 185 Y C 2.559 178.087 175.900 -0.619 0.000 1.129 185 Y CA -0.189 57.330 58.100 -0.968 0.000 1.201 185 Y CB -0.560 37.490 38.460 -0.683 0.000 0.999 185 Y HN -0.178 8.102 8.280 -0.000 0.000 0.541 186 I N -0.507 119.855 120.570 -0.346 0.000 2.226 186 I HA -0.292 3.879 4.170 0.002 0.000 0.245 186 I C 2.617 178.550 176.117 -0.307 0.000 1.100 186 I CA 1.309 62.429 61.300 -0.300 0.000 1.374 186 I CB -1.435 36.263 38.000 -0.504 0.000 1.057 186 I HN 0.163 8.373 8.210 -0.000 0.000 0.413 187 S N 0.804 116.271 115.700 -0.388 0.000 2.348 187 S HA -0.164 4.308 4.470 0.002 0.000 0.221 187 S C 2.239 176.750 174.600 -0.147 0.000 1.033 187 S CA 1.321 59.366 58.200 -0.259 0.000 1.010 187 S CB -0.430 62.595 63.200 -0.292 0.000 0.891 187 S HN 0.372 8.682 8.310 -0.000 0.000 0.442 188 F N 1.242 120.974 119.950 -0.363 0.000 2.065 188 F HA -0.155 4.373 4.527 0.002 0.000 0.298 188 F C 2.308 177.836 175.800 -0.452 0.000 1.112 188 F CA 1.011 58.726 58.000 -0.474 0.000 1.212 188 F CB -0.395 38.163 39.000 -0.736 0.000 0.975 188 F HN 0.216 8.516 8.300 -0.000 0.000 0.476 189 L N 0.041 121.125 121.223 -0.231 0.000 2.083 189 L HA -0.226 4.116 4.340 0.002 0.000 0.209 189 L C 2.295 179.019 176.870 -0.244 0.000 1.083 189 L CA 1.422 56.031 54.840 -0.385 0.000 0.752 189 L CB -0.593 41.121 42.059 -0.576 0.000 0.899 189 L HN 0.108 8.338 8.230 -0.000 0.000 0.433 190 K N 0.048 120.407 120.400 -0.068 0.000 2.097 190 K HA -0.215 4.106 4.320 0.002 0.000 0.206 190 K C 2.161 178.817 176.600 0.093 0.000 1.049 190 K CA 1.221 57.592 56.287 0.139 0.000 0.933 190 K CB -0.048 32.507 32.500 0.092 0.000 0.717 190 K HN 0.198 8.448 8.250 -0.000 0.000 0.442 191 K N 1.266 121.648 120.400 -0.031 0.000 2.031 191 K HA -0.082 4.239 4.320 0.002 0.000 0.205 191 K C 2.019 178.523 176.600 -0.160 0.000 1.049 191 K CA 0.886 57.135 56.287 -0.064 0.000 0.939 191 K CB 0.017 32.466 32.500 -0.085 0.000 0.717 191 K HN 0.013 8.263 8.250 -0.000 0.000 0.438 192 L N -0.104 120.899 121.223 -0.367 0.000 2.056 192 L HA -0.103 4.238 4.340 0.002 0.000 0.207 192 L C 1.696 178.283 176.870 -0.472 0.000 1.078 192 L CA 1.037 55.489 54.840 -0.647 0.000 0.749 192 L CB -0.248 41.079 42.059 -1.221 0.000 0.901 192 L HN 0.114 8.344 8.230 -0.000 0.000 0.433 193 F N -0.277 119.584 119.950 -0.147 0.000 2.660 193 F HA 0.387 4.915 4.527 0.002 0.000 0.302 193 F C 1.434 177.304 175.800 0.116 0.000 1.103 193 F CA -0.137 57.794 58.000 -0.116 0.000 1.340 193 F CB -0.632 38.202 39.000 -0.277 0.000 1.048 193 F HN 0.066 8.366 8.300 -0.000 0.000 0.551 194 A N -0.516 122.443 122.820 0.231 0.000 2.822 194 A HA -0.347 3.974 4.320 0.002 0.000 0.287 194 A C 0.389 178.142 177.584 0.281 0.000 1.479 194 A CA 0.214 52.380 52.037 0.215 0.000 0.779 194 A CB -3.076 16.031 19.000 0.178 0.000 1.022 194 A HN 0.429 8.579 8.150 -0.000 0.000 0.532 195 Y N 0.685 121.144 120.300 0.266 0.000 2.895 195 Y HA 0.293 4.845 4.550 0.002 0.000 0.334 195 Y C 0.504 176.474 175.900 0.116 0.000 1.261 195 Y CA 1.567 59.827 58.100 0.268 0.000 1.560 195 Y CB 0.357 39.025 38.460 0.346 0.000 1.253 195 Y HN 0.508 8.788 8.280 -0.000 0.000 0.582 196 D N 5.705 125.825 120.400 -0.467 0.000 2.736 196 D HA 0.139 4.780 4.640 0.002 0.000 0.243 196 D C 0.308 176.240 176.300 -0.612 0.000 1.304 196 D CA -0.590 53.199 54.000 -0.352 0.000 0.934 196 D CB 1.484 42.174 40.800 -0.183 0.000 1.382 196 D HN 0.668 9.038 8.370 -0.000 0.000 0.571 197 K N 2.343 122.511 120.400 -0.387 0.000 2.103 197 K HA -0.065 4.257 4.320 0.002 0.000 0.207 197 K C 0.804 177.275 176.600 -0.215 0.000 1.048 197 K CA 0.951 57.074 56.287 -0.273 0.000 0.930 197 K CB 0.223 32.730 32.500 0.011 0.000 0.716 197 K HN 0.324 8.574 8.250 -0.000 0.000 0.444 198 N N 0.779 119.385 118.700 -0.157 0.000 2.322 198 N HA -0.009 4.733 4.740 0.002 0.000 0.194 198 N C -0.425 174.988 175.510 -0.162 0.000 1.126 198 N CA 0.394 53.389 53.050 -0.093 0.000 0.845 198 N CB 0.525 38.990 38.487 -0.036 0.000 0.976 198 N HN 0.147 8.527 8.380 -0.000 0.000 0.475 199 N N 0.474 118.968 118.700 -0.343 0.000 2.639 199 N HA 0.170 4.912 4.740 0.002 0.000 0.265 199 N C 0.601 175.697 175.510 -0.690 0.000 1.689 199 N CA 0.004 52.658 53.050 -0.660 0.000 0.813 199 N CB 0.591 38.816 38.487 -0.437 0.000 1.353 199 N HN 0.045 8.425 8.380 -0.000 0.000 0.510 200 L N -0.007 120.879 121.223 -0.561 0.000 2.478 200 L HA -0.030 4.311 4.340 0.002 0.000 0.223 200 L C 1.469 178.315 176.870 -0.040 0.000 1.140 200 L CA 0.967 55.617 54.840 -0.317 0.000 0.842 200 L CB -0.372 41.486 42.059 -0.335 0.000 0.953 200 L HN 0.362 8.592 8.230 -0.000 0.000 0.452 201 Y N -2.386 117.938 120.300 0.039 0.000 2.490 201 Y HA 0.253 4.804 4.550 0.002 0.000 0.281 201 Y C 0.646 176.573 175.900 0.044 0.000 1.174 201 Y CA -0.979 57.149 58.100 0.047 0.000 1.295 201 Y CB -0.869 37.603 38.460 0.020 0.000 1.062 201 Y HN 0.048 8.328 8.280 -0.000 0.000 0.522 202 N N 1.741 120.377 118.700 -0.106 0.000 2.473 202 N HA 0.148 4.890 4.740 0.002 0.000 0.291 202 N C 0.668 176.213 175.510 0.059 0.000 1.083 202 N CA -0.448 52.598 53.050 -0.007 0.000 0.951 202 N CB 1.662 40.107 38.487 -0.070 0.000 1.164 202 N HN 0.125 8.505 8.380 -0.000 0.000 0.480 203 R N 1.387 121.936 120.500 0.082 0.000 2.056 203 R HA -0.016 4.325 4.340 0.002 0.000 0.227 203 R C -0.099 176.348 176.300 0.245 0.000 1.149 203 R CA 0.947 57.126 56.100 0.131 0.000 0.937 203 R CB -0.469 29.886 30.300 0.091 0.000 0.835 203 R HN 0.594 8.864 8.270 -0.000 0.000 0.430 204 N N -0.555 118.251 118.700 0.177 0.000 2.717 204 N HA -0.190 4.551 4.740 0.002 0.000 0.248 204 N C -0.146 175.490 175.510 0.210 0.000 1.099 204 N CA 1.299 54.448 53.050 0.165 0.000 0.843 204 N CB -1.168 37.395 38.487 0.127 0.000 1.155 204 N HN 0.256 8.636 8.380 -0.000 0.000 0.580 208 T N 1.673 115.851 114.554 -0.627 0.000 3.672 208 T HA 0.521 4.872 4.350 0.002 0.000 0.296 208 T C 0.396 174.781 174.700 -0.525 0.000 0.979 208 T CA 0.027 61.862 62.100 -0.441 0.000 1.013 208 T CB -0.059 68.729 68.868 -0.134 0.000 1.184 208 T HN 0.953 9.193 8.240 -0.000 0.000 0.477 209 G N 0.460 108.612 108.800 -1.080 0.000 2.543 209 G HA2 0.519 4.480 3.960 0.002 0.000 0.290 209 G HA3 0.519 4.480 3.960 0.002 0.000 0.290 209 G C -1.526 173.305 174.900 -0.114 0.000 1.310 209 G CA -0.751 44.083 45.100 -0.443 0.000 1.025 209 G HN 0.346 8.636 8.290 -0.000 0.000 0.502 210 Y N -0.423 119.800 120.300 -0.128 0.000 2.335 210 Y HA 0.614 5.165 4.550 0.002 0.000 0.338 210 Y C -0.181 175.689 175.900 -0.051 0.000 0.977 210 Y CA -1.220 56.824 58.100 -0.095 0.000 1.114 210 Y CB 1.338 39.675 38.460 -0.205 0.000 1.182 210 Y HN 0.262 8.542 8.280 -0.000 0.000 0.463 211 I N 5.185 125.490 120.570 -0.442 0.000 2.406 211 I HA 0.363 4.534 4.170 0.002 0.000 0.290 211 I C -0.612 175.141 176.117 -0.606 0.000 0.999 211 I CA -0.537 60.523 61.300 -0.400 0.000 1.124 211 I CB 1.955 39.840 38.000 -0.192 0.000 1.289 211 I HN 0.516 8.726 8.210 -0.000 0.000 0.441 212 T N 6.877 121.140 114.554 -0.486 0.000 2.770 212 T HA 0.595 4.947 4.350 0.002 0.000 0.283 212 T C -0.156 174.279 174.700 -0.441 0.000 0.988 212 T CA -0.358 61.471 62.100 -0.453 0.000 0.957 212 T CB 0.991 69.698 68.868 -0.269 0.000 0.930 212 T HN 0.263 8.503 8.240 -0.000 0.000 0.443 213 I N 3.506 123.793 120.570 -0.472 0.000 2.378 213 I HA 0.383 4.554 4.170 0.002 0.000 0.291 213 I C -1.048 174.846 176.117 -0.371 0.000 0.992 213 I CA -1.024 60.090 61.300 -0.309 0.000 1.154 213 I CB 1.340 39.240 38.000 -0.165 0.000 1.315 213 I HN 0.627 8.837 8.210 -0.000 0.000 0.448 214 Y N 6.017 126.386 120.300 0.115 0.000 2.356 214 Y HA 0.392 4.944 4.550 0.002 0.000 0.334 214 Y C -0.649 175.402 175.900 0.253 0.000 0.958 214 Y CA -0.712 57.489 58.100 0.168 0.000 1.196 214 Y CB 1.218 39.772 38.460 0.156 0.000 1.137 214 Y HN 0.390 8.670 8.280 -0.000 0.000 0.485 215 Y N 2.661 123.077 120.300 0.193 0.000 2.326 215 Y HA 0.664 5.215 4.550 0.002 0.000 0.329 215 Y C -0.263 175.781 175.900 0.240 0.000 0.973 215 Y CA -2.004 56.233 58.100 0.228 0.000 1.162 215 Y CB 1.584 40.188 38.460 0.241 0.000 1.147 215 Y HN 0.671 8.951 8.280 -0.000 0.000 0.456 216 G N 5.152 114.103 108.800 0.251 0.000 2.335 216 G HA2 0.577 4.539 3.960 0.002 0.000 0.314 216 G HA3 0.577 4.539 3.960 0.002 0.000 0.314 216 G C -1.116 173.769 174.900 -0.024 0.000 1.129 216 G CA -0.287 44.870 45.100 0.095 0.000 0.912 216 G HN 0.843 9.133 8.290 -0.000 0.000 0.443 217 V N 0.611 120.527 119.914 0.004 0.000 3.182 217 V HA 0.525 4.647 4.120 0.002 0.000 0.308 217 V C 0.835 177.118 176.094 0.315 0.000 1.240 217 V CA -1.068 61.285 62.300 0.088 0.000 1.063 217 V CB 1.087 32.870 31.823 -0.065 0.000 1.076 217 V HN 0.591 8.781 8.190 -0.000 0.000 0.446 218 Y N 2.184 122.595 120.300 0.186 0.000 2.133 218 Y HA 0.104 4.656 4.550 0.002 0.000 0.287 218 Y C 0.996 177.072 175.900 0.294 0.000 1.134 218 Y CA 2.283 60.516 58.100 0.221 0.000 1.133 218 Y CB 0.124 38.654 38.460 0.117 0.000 0.987 218 Y HN 1.072 9.352 8.280 -0.000 0.000 0.502 219 N N -2.177 116.575 118.700 0.088 0.000 3.243 219 N HA 0.120 4.861 4.740 0.002 0.000 0.280 219 N C 0.193 175.385 175.510 -0.531 0.000 1.545 219 N CA -0.160 52.664 53.050 -0.376 0.000 0.854 219 N CB 0.351 38.510 38.487 -0.547 0.000 1.612 219 N HN -0.108 8.272 8.380 -0.000 0.000 0.577 220 E N -0.343 119.313 120.200 -0.906 0.000 2.118 220 E HA -0.116 4.236 4.350 0.002 0.000 0.195 220 E C 0.146 176.600 176.600 -0.243 0.000 0.992 220 E CA 1.675 57.740 56.400 -0.559 0.000 0.804 220 E CB -0.246 29.173 29.700 -0.468 0.000 0.741 220 E HN 0.569 8.929 8.360 -0.000 0.000 0.458 221 D N -0.803 119.472 120.400 -0.208 0.000 2.371 221 D HA 0.020 4.661 4.640 0.002 0.000 0.221 221 D C 0.810 177.072 176.300 -0.062 0.000 0.986 221 D CA 0.467 54.397 54.000 -0.116 0.000 0.899 221 D CB 0.106 40.840 40.800 -0.110 0.000 0.902 221 D HN -0.012 8.358 8.370 -0.000 0.000 0.530 222 S N -0.365 115.316 115.700 -0.031 0.000 2.540 222 S HA 0.205 4.676 4.470 0.002 0.000 0.218 222 S C 0.895 175.522 174.600 0.045 0.000 0.977 222 S CA -0.366 57.849 58.200 0.027 0.000 0.918 222 S CB 0.595 63.859 63.200 0.107 0.000 0.806 222 S HN 0.207 8.517 8.310 -0.000 0.000 0.496 223 I N 3.201 123.793 120.570 0.037 0.000 2.664 223 I HA 0.022 4.193 4.170 0.002 0.000 0.284 223 I C -0.183 176.052 176.117 0.197 0.000 1.154 223 I CA 0.163 61.545 61.300 0.136 0.000 1.402 223 I CB 0.189 38.244 38.000 0.092 0.000 1.395 223 I HN 0.054 8.264 8.210 -0.000 0.000 0.545 224 L N 7.895 129.321 121.223 0.340 0.000 2.349 224 L HA 0.172 4.514 4.340 0.002 0.000 0.275 224 L C -0.171 176.839 176.870 0.232 0.000 1.115 224 L CA -0.573 54.359 54.840 0.153 0.000 0.820 224 L CB -0.006 42.157 42.059 0.175 0.000 1.135 224 L HN 0.560 8.790 8.230 -0.000 0.000 0.445 225 Y N 1.007 121.367 120.300 0.100 0.000 3.689 225 Y HA -0.260 4.291 4.550 0.002 0.000 0.221 225 Y C 1.181 177.142 175.900 0.102 0.000 1.247 225 Y CA 0.217 58.347 58.100 0.051 0.000 1.671 225 Y CB -1.477 37.004 38.460 0.035 0.000 1.521 225 Y HN 0.514 8.794 8.280 -0.000 0.000 0.632 226 L N -0.132 121.205 121.223 0.190 0.000 2.131 226 L HA -0.244 4.098 4.340 0.002 0.000 0.210 226 L C 1.723 178.678 176.870 0.142 0.000 1.092 226 L CA 2.203 57.152 54.840 0.181 0.000 0.759 226 L CB -0.178 41.940 42.059 0.099 0.000 0.903 226 L HN 0.468 8.698 8.230 -0.000 0.000 0.435 227 N N 0.524 119.279 118.700 0.092 0.000 2.025 227 N HA -0.224 4.518 4.740 0.002 0.000 0.194 227 N C 1.669 177.206 175.510 0.045 0.000 1.044 227 N CA 1.578 54.665 53.050 0.062 0.000 0.851 227 N CB -0.275 38.229 38.487 0.028 0.000 1.036 227 N HN 0.333 8.713 8.380 -0.000 0.000 0.422 228 E N 0.821 121.017 120.200 -0.006 0.000 2.051 228 E HA -0.046 4.305 4.350 0.002 0.000 0.192 228 E C 2.206 178.703 176.600 -0.172 0.000 0.991 228 E CA 0.563 56.822 56.400 -0.235 0.000 0.799 228 E CB -0.421 29.131 29.700 -0.246 0.000 0.748 228 E HN 0.278 8.638 8.360 -0.000 0.000 0.449 229 L N 0.676 122.005 121.223 0.176 0.000 2.042 229 L HA -0.227 4.114 4.340 0.002 0.000 0.210 229 L C 2.288 179.315 176.870 0.261 0.000 1.076 229 L CA 1.427 56.473 54.840 0.344 0.000 0.749 229 L CB -0.348 41.945 42.059 0.391 0.000 0.893 229 L HN 0.190 8.420 8.230 -0.000 0.000 0.432 230 E N -1.120 119.196 120.200 0.193 0.000 2.152 230 E HA -0.241 4.111 4.350 0.002 0.000 0.192 230 E C 1.962 178.625 176.600 0.104 0.000 0.983 230 E CA 1.001 57.494 56.400 0.155 0.000 0.818 230 E CB -0.063 29.719 29.700 0.136 0.000 0.758 230 E HN 0.470 8.830 8.360 -0.000 0.000 0.467 231 Y N 0.155 120.410 120.300 -0.075 0.000 2.242 231 Y HA -0.180 4.371 4.550 0.002 0.000 0.291 231 Y C 1.593 177.446 175.900 -0.078 0.000 1.137 231 Y CA 1.424 59.448 58.100 -0.126 0.000 1.181 231 Y CB -0.215 38.122 38.460 -0.204 0.000 0.989 231 Y HN -0.041 8.239 8.280 -0.000 0.000 0.527 232 F N 0.103 120.125 119.950 0.121 0.000 2.206 232 F HA -0.182 4.346 4.527 0.002 0.000 0.298 232 F C 2.652 178.398 175.800 -0.090 0.000 1.090 232 F CA 1.341 59.336 58.000 -0.008 0.000 1.323 232 F CB -0.414 38.621 39.000 0.060 0.000 1.028 232 F HN 0.053 8.353 8.300 -0.000 0.000 0.492 233 Q N 0.695 120.575 119.800 0.133 0.000 2.230 233 Q HA -0.183 4.159 4.340 0.002 0.000 0.202 233 Q C 2.148 178.138 176.000 -0.016 0.000 0.963 233 Q CA 1.097 56.936 55.803 0.060 0.000 0.866 233 Q CB 0.060 28.848 28.738 0.084 0.000 0.931 233 Q HN 0.319 8.589 8.270 -0.000 0.000 0.452 234 K N -0.665 119.688 120.400 -0.078 0.000 2.098 234 K HA -0.019 4.303 4.320 0.002 0.000 0.203 234 K C 1.842 178.297 176.600 -0.241 0.000 1.051 234 K CA 0.733 56.943 56.287 -0.128 0.000 0.957 234 K CB 0.198 32.630 32.500 -0.113 0.000 0.738 234 K HN 0.198 8.448 8.250 -0.000 0.000 0.447 235 M N -0.188 119.156 119.600 -0.427 0.000 2.435 235 M HA 0.007 4.488 4.480 0.002 0.000 0.265 235 M C 0.006 175.816 176.300 -0.818 0.000 1.104 235 M CA 1.011 55.897 55.300 -0.690 0.000 1.140 235 M CB 0.451 32.409 32.600 -1.071 0.000 1.372 235 M HN 0.041 8.331 8.290 -0.000 0.000 0.456 236 Y N -0.291 119.867 120.300 -0.238 0.000 2.473 236 Y HA 0.272 4.823 4.550 0.002 0.000 0.345 236 Y C -1.628 174.209 175.900 -0.105 0.000 0.932 236 Y CA -1.911 56.068 58.100 -0.201 0.000 1.124 236 Y CB -0.242 37.945 38.460 -0.455 0.000 1.162 236 Y HN 0.106 8.386 8.280 -0.000 0.000 0.629 237 P HA -0.100 4.320 4.420 -0.000 0.000 0.222 237 P C 0.162 177.521 177.300 0.099 0.000 1.147 237 P CA 1.389 64.511 63.100 0.037 0.000 0.790 237 P CB 0.415 32.116 31.700 0.002 0.000 0.780 238 N N -0.754 118.018 118.700 0.121 0.000 2.280 238 N HA 0.060 4.801 4.740 0.002 0.000 0.192 238 N C 0.731 176.421 175.510 0.301 0.000 1.109 238 N CA 0.079 53.224 53.050 0.158 0.000 0.855 238 N CB -0.197 38.334 38.487 0.075 0.000 0.974 238 N HN 0.196 8.576 8.380 -0.000 0.000 0.482 239 N N -0.208 118.668 118.700 0.294 0.000 2.171 239 N HA 0.317 5.059 4.740 0.002 0.000 0.212 239 N C -0.924 174.642 175.510 0.093 0.000 1.184 239 N CA 0.040 53.283 53.050 0.322 0.000 0.888 239 N CB 1.714 40.396 38.487 0.324 0.000 1.038 239 N HN 0.066 8.446 8.380 -0.000 0.000 0.517 240 I N -0.026 120.527 120.570 -0.029 0.000 2.775 240 I HA 0.341 4.512 4.170 0.002 0.000 0.295 240 I C -1.898 174.075 176.117 -0.239 0.000 1.287 240 I CA -0.774 60.393 61.300 -0.221 0.000 1.029 240 I CB 2.060 40.044 38.000 -0.026 0.000 1.282 240 I HN -0.142 8.068 8.210 -0.000 0.000 0.426 241 N N 7.201 125.667 118.700 -0.389 0.000 2.480 241 N HA 0.534 5.275 4.740 0.002 0.000 0.289 241 N C -1.828 173.379 175.510 -0.504 0.000 1.073 241 N CA -0.348 52.490 53.050 -0.354 0.000 0.885 241 N CB 1.591 39.908 38.487 -0.283 0.000 1.421 241 N HN 0.448 8.828 8.380 -0.000 0.000 0.503 242 I N 3.371 123.653 120.570 -0.481 0.000 2.339 242 I HA 0.277 4.448 4.170 0.002 0.000 0.290 242 I C -0.311 175.390 176.117 -0.693 0.000 0.994 242 I CA -0.748 60.221 61.300 -0.552 0.000 1.191 242 I CB 1.023 38.754 38.000 -0.450 0.000 1.343 242 I HN 0.377 8.587 8.210 -0.000 0.000 0.458 243 H N 6.526 125.373 119.070 -0.371 0.000 2.541 243 H HA 0.337 4.894 4.556 0.002 0.000 0.316 243 H C -1.155 174.049 175.328 -0.207 0.000 1.043 243 H CA -0.439 55.491 56.048 -0.197 0.000 1.232 243 H CB 0.875 30.641 29.762 0.007 0.000 1.406 243 H HN 0.436 8.716 8.280 -0.000 0.000 0.469 244 Y N 1.462 121.791 120.300 0.048 0.000 2.320 244 Y HA 0.278 4.829 4.550 0.002 0.000 0.334 244 Y C 0.374 176.013 175.900 -0.434 0.000 1.055 244 Y CA -0.813 57.139 58.100 -0.247 0.000 1.143 244 Y CB 1.479 39.644 38.460 -0.491 0.000 1.193 244 Y HN 0.254 8.534 8.280 -0.000 0.000 0.477 245 V N 5.238 125.027 119.914 -0.208 0.000 2.326 245 V HA 0.269 4.390 4.120 0.002 0.000 0.281 245 V C -0.818 175.196 176.094 -0.134 0.000 1.015 245 V CA -0.966 61.265 62.300 -0.115 0.000 0.823 245 V CB -0.014 31.871 31.823 0.103 0.000 1.009 245 V HN 0.457 8.647 8.190 -0.000 0.000 0.436 246 F N 2.703 122.737 119.950 0.139 0.000 2.411 246 F HA 0.330 4.859 4.527 0.002 0.000 0.350 246 F C 1.663 177.461 175.800 -0.003 0.000 1.114 246 F CA -0.661 57.383 58.000 0.074 0.000 1.135 246 F CB 1.734 40.793 39.000 0.098 0.000 1.120 246 F HN 0.564 8.864 8.300 -0.000 0.000 0.495 247 S N 2.469 118.310 115.700 0.235 0.000 2.489 247 S HA -0.196 4.276 4.470 0.002 0.000 0.228 247 S C 1.835 176.435 174.600 -0.000 0.000 0.995 247 S CA 0.648 58.945 58.200 0.161 0.000 0.934 247 S CB -1.059 62.374 63.200 0.389 0.000 0.771 247 S HN 0.731 9.041 8.310 -0.000 0.000 0.522 248 Y N 2.026 122.144 120.300 -0.304 0.000 2.224 248 Y HA 0.257 4.808 4.550 0.002 0.000 0.289 248 Y C 0.872 176.684 175.900 -0.148 0.000 1.146 248 Y CA 0.050 57.894 58.100 -0.428 0.000 1.182 248 Y CB -0.641 37.301 38.460 -0.863 0.000 0.983 248 Y HN 0.044 8.324 8.280 -0.000 0.000 0.524 256 S N 1.967 117.629 115.700 -0.063 0.000 2.568 256 S HA 0.872 5.343 4.470 0.002 0.000 0.302 256 S C -1.563 172.938 174.600 -0.164 0.000 1.082 256 S CA -0.572 57.514 58.200 -0.191 0.000 1.009 256 S CB 1.302 64.343 63.200 -0.264 0.000 1.069 256 S HN 0.584 8.894 8.310 -0.000 0.000 0.500 257 F N 2.949 122.604 119.950 -0.491 0.000 2.828 257 F HA 0.541 5.070 4.527 0.002 0.000 0.355 257 F C -1.604 173.991 175.800 -0.342 0.000 1.200 257 F CA -0.462 57.346 58.000 -0.320 0.000 1.062 257 F CB 0.473 39.363 39.000 -0.183 0.000 1.351 257 F HN 0.533 8.833 8.300 -0.000 0.000 0.504 258 Y N 3.080 123.167 120.300 -0.355 0.000 2.732 258 Y HA 0.367 4.919 4.550 0.002 0.000 0.327 258 Y C 1.004 176.704 175.900 -0.333 0.000 1.162 258 Y CA -0.558 57.413 58.100 -0.215 0.000 1.238 258 Y CB 0.270 38.661 38.460 -0.116 0.000 1.443 258 Y HN 0.242 8.522 8.280 -0.000 0.000 0.584 259 V N 0.620 120.566 119.914 0.054 0.000 2.407 259 V HA -0.284 3.837 4.120 0.002 0.000 0.248 259 V C 1.457 177.459 176.094 -0.153 0.000 1.055 259 V CA 2.176 64.467 62.300 -0.015 0.000 1.049 259 V CB -0.282 31.597 31.823 0.094 0.000 0.662 259 V HN 0.887 9.077 8.190 -0.000 0.000 0.455 260 Q N -0.194 119.515 119.800 -0.152 0.000 2.167 260 Q HA -0.158 4.184 4.340 0.002 0.000 0.202 260 Q C 1.864 177.710 176.000 -0.256 0.000 0.970 260 Q CA 1.946 57.627 55.803 -0.203 0.000 0.855 260 Q CB -0.427 28.233 28.738 -0.131 0.000 0.911 260 Q HN 0.621 8.891 8.270 -0.000 0.000 0.438 261 D N 0.386 120.546 120.400 -0.399 0.000 2.149 261 D HA -0.132 4.509 4.640 0.002 0.000 0.201 261 D C 1.706 177.733 176.300 -0.456 0.000 0.972 261 D CA 0.742 54.420 54.000 -0.536 0.000 0.835 261 D CB 0.046 40.230 40.800 -1.026 0.000 0.966 261 D HN 0.181 8.551 8.370 -0.000 0.000 0.476 262 E N 1.077 120.959 120.200 -0.529 0.000 2.051 262 E HA -0.108 4.243 4.350 0.002 0.000 0.192 262 E C 2.391 178.931 176.600 -0.100 0.000 0.991 262 E CA 0.398 56.786 56.400 -0.020 0.000 0.799 262 E CB -0.217 29.518 29.700 0.058 0.000 0.748 262 E HN 0.361 8.721 8.360 -0.000 0.000 0.449 263 I N -0.251 120.142 120.570 -0.295 0.000 2.226 263 I HA -0.282 3.890 4.170 0.002 0.000 0.245 263 I C 2.362 178.315 176.117 -0.274 0.000 1.100 263 I CA 1.026 62.044 61.300 -0.470 0.000 1.374 263 I CB -0.362 37.169 38.000 -0.782 0.000 1.057 263 I HN 0.111 8.321 8.210 -0.000 0.000 0.413 264 Y N 1.706 121.847 120.300 -0.266 0.000 2.352 264 Y HA -0.224 4.327 4.550 0.002 0.000 0.292 264 Y C 2.552 178.415 175.900 -0.061 0.000 1.136 264 Y CA 1.526 59.534 58.100 -0.153 0.000 1.227 264 Y CB -0.075 38.307 38.460 -0.129 0.000 0.991 264 Y HN -0.012 8.268 8.280 -0.000 0.000 0.545 265 K N 0.878 121.328 120.400 0.084 0.000 2.057 265 K HA -0.153 4.169 4.320 0.002 0.000 0.207 265 K C 0.357 176.948 176.600 -0.014 0.000 1.049 265 K CA 1.495 57.836 56.287 0.091 0.000 0.931 265 K CB -0.041 32.579 32.500 0.200 0.000 0.714 265 K HN 0.360 8.610 8.250 -0.000 0.000 0.440 266 R N 0.616 121.091 120.500 -0.041 0.000 3.220 266 R HA 0.147 4.488 4.340 0.002 0.000 0.324 266 R C 0.592 176.875 176.300 -0.027 0.000 1.283 266 R CA -0.318 55.766 56.100 -0.026 0.000 1.387 266 R CB 0.417 30.724 30.300 0.012 0.000 1.413 266 R HN 0.092 8.362 8.270 -0.000 0.000 0.610 267 K N 0.090 120.420 120.400 -0.117 0.000 2.155 267 K HA -0.093 4.228 4.320 0.002 0.000 0.203 267 K C 1.265 177.897 176.600 0.053 0.000 1.052 267 K CA 1.718 57.954 56.287 -0.086 0.000 0.948 267 K CB -0.103 32.212 32.500 -0.307 0.000 0.728 267 K HN 0.263 8.513 8.250 -0.000 0.000 0.448 268 T N -0.532 114.031 114.554 0.015 0.000 2.777 268 T HA -0.087 4.264 4.350 0.002 0.000 0.266 268 T C 1.579 176.338 174.700 0.099 0.000 1.040 268 T CA 1.237 63.366 62.100 0.049 0.000 1.141 268 T CB -0.217 68.664 68.868 0.021 0.000 0.868 268 T HN 0.225 8.465 8.240 -0.000 0.000 0.444 269 E N 0.693 120.963 120.200 0.116 0.000 2.106 269 E HA 0.109 4.460 4.350 0.002 0.000 0.192 269 E C 1.580 178.308 176.600 0.214 0.000 0.984 269 E CA 0.578 57.069 56.400 0.152 0.000 0.806 269 E CB -0.589 29.199 29.700 0.147 0.000 0.750 269 E HN 0.604 8.964 8.360 -0.000 0.000 0.458 270 F N 0.571 120.576 119.950 0.092 0.000 2.134 270 F HA -0.134 4.394 4.527 0.002 0.000 0.299 270 F C 1.777 177.664 175.800 0.146 0.000 1.097 270 F CA 1.155 59.227 58.000 0.120 0.000 1.264 270 F CB -0.175 38.833 39.000 0.014 0.000 1.001 270 F HN -0.025 8.275 8.300 -0.000 0.000 0.479 271 L N 0.417 121.744 121.223 0.174 0.000 2.012 271 L HA -0.305 4.036 4.340 0.002 0.000 0.210 271 L C 2.198 179.120 176.870 0.086 0.000 1.073 271 L CA 2.132 57.034 54.840 0.103 0.000 0.748 271 L CB -0.824 41.310 42.059 0.125 0.000 0.891 271 L HN 0.241 8.471 8.230 -0.000 0.000 0.431 272 N N -0.619 118.141 118.700 0.099 0.000 2.166 272 N HA -0.181 4.560 4.740 0.002 0.000 0.186 272 N C 1.927 177.537 175.510 0.166 0.000 1.019 272 N CA 0.793 53.910 53.050 0.110 0.000 0.856 272 N CB -0.032 38.528 38.487 0.121 0.000 0.993 272 N HN 0.267 8.647 8.380 -0.000 0.000 0.426 273 L N -0.137 121.178 121.223 0.153 0.000 2.017 273 L HA -0.166 4.175 4.340 0.002 0.000 0.208 273 L C 2.201 179.135 176.870 0.105 0.000 1.073 273 L CA 1.145 56.085 54.840 0.167 0.000 0.745 273 L CB -0.374 41.731 42.059 0.076 0.000 0.894 273 L HN 0.190 8.420 8.230 -0.000 0.000 0.432 274 F N 0.699 120.538 119.950 -0.185 0.000 2.186 274 F HA -0.190 4.338 4.527 0.003 0.000 0.299 274 F C 2.321 178.069 175.800 -0.086 0.000 1.090 274 F CA 1.552 59.434 58.000 -0.198 0.000 1.307 274 F CB -0.116 38.665 39.000 -0.366 0.000 1.019 274 F HN 0.106 8.406 8.300 -0.000 0.000 0.489 275 N N 0.038 118.709 118.700 -0.049 0.000 2.305 275 N HA -0.073 4.668 4.740 0.002 0.000 0.179 275 N C 1.356 176.780 175.510 -0.143 0.000 1.019 275 N CA 0.901 53.879 53.050 -0.120 0.000 0.869 275 N CB -0.533 37.965 38.487 0.018 0.000 1.000 275 N HN 0.250 8.630 8.380 -0.000 0.000 0.431 276 N N -0.081 118.563 118.700 -0.093 0.000 2.416 276 N HA -0.017 4.724 4.740 0.002 0.000 0.177 276 N C 0.327 175.599 175.510 -0.397 0.000 1.036 276 N CA 0.583 53.497 53.050 -0.225 0.000 0.901 276 N CB 0.081 38.428 38.487 -0.233 0.000 0.976 276 N HN 0.344 8.724 8.380 -0.000 0.000 0.444 277 Y N 0.233 120.456 120.300 -0.129 0.000 2.557 277 Y HA 0.271 4.822 4.550 0.002 0.000 0.247 277 Y C 0.089 175.874 175.900 -0.191 0.000 1.164 277 Y CA -0.415 57.607 58.100 -0.130 0.000 1.218 277 Y CB 0.398 38.809 38.460 -0.081 0.000 1.210 277 Y HN -0.216 8.064 8.280 -0.000 0.000 0.529 278 K N -0.506 119.793 120.400 -0.169 0.000 3.035 278 K HA -0.229 4.092 4.320 0.002 0.000 0.262 278 K C -0.425 176.007 176.600 -0.281 0.000 1.024 278 K CA 0.305 56.424 56.287 -0.279 0.000 0.748 278 K CB -2.135 30.243 32.500 -0.204 0.000 1.247 278 K HN 0.274 8.524 8.250 -0.000 0.000 0.482 279 C N 2.095 121.238 119.300 -0.262 0.000 2.653 279 C HA 0.039 4.500 4.460 0.002 0.000 0.421 279 C C 1.129 176.081 174.990 -0.063 0.000 1.334 279 C CA -0.486 58.442 59.018 -0.149 0.000 1.885 279 C CB 0.025 27.757 27.740 -0.013 0.000 2.645 279 C HN 0.257 8.487 8.230 -0.000 0.000 0.601 280 E N 2.139 122.339 120.200 0.001 0.000 2.290 280 E HA 0.229 4.581 4.350 0.002 0.000 0.277 280 E C -0.473 176.417 176.600 0.483 0.000 1.035 280 E CA -0.220 56.346 56.400 0.278 0.000 0.873 280 E CB 1.135 31.102 29.700 0.445 0.000 1.029 280 E HN 0.461 8.821 8.360 -0.000 0.000 0.419 281 L N 5.073 126.564 121.223 0.447 0.000 2.282 281 L HA 0.320 4.661 4.340 0.002 0.000 0.288 281 L C -1.506 175.599 176.870 0.391 0.000 1.033 281 L CA -0.515 54.593 54.840 0.447 0.000 0.807 281 L CB 0.403 42.654 42.059 0.320 0.000 1.209 281 L HN 0.291 8.521 8.230 -0.000 0.000 0.423 282 Y N 5.243 125.857 120.300 0.524 0.000 2.409 282 Y HA 0.660 5.211 4.550 0.002 0.000 0.343 282 Y C -0.347 175.953 175.900 0.667 0.000 0.973 282 Y CA -0.614 57.872 58.100 0.643 0.000 1.064 282 Y CB 1.912 40.815 38.460 0.738 0.000 1.207 282 Y HN 0.401 8.681 8.280 -0.000 0.000 0.452 283 I N 3.217 124.277 120.570 0.815 0.000 2.468 283 I HA 0.356 4.528 4.170 0.002 0.000 0.285 283 I C -1.316 175.077 176.117 0.460 0.000 1.039 283 I CA -0.479 61.160 61.300 0.564 0.000 1.074 283 I CB 1.520 39.703 38.000 0.305 0.000 1.228 283 I HN 0.559 8.769 8.210 -0.000 0.000 0.436 284 C N 5.810 125.349 119.300 0.398 0.000 2.397 284 C HA 0.960 5.421 4.460 0.002 0.000 0.325 284 C C 0.446 175.434 174.990 -0.004 0.000 1.201 284 C CA 0.603 59.653 59.018 0.054 0.000 1.377 284 C CB -0.105 27.570 27.740 -0.109 0.000 2.038 284 C HN 1.102 9.332 8.230 -0.000 0.000 0.457 285 G N 5.447 114.127 108.800 -0.200 0.000 2.384 285 G HA2 0.134 4.095 3.960 0.002 0.000 0.150 285 G HA3 0.134 4.095 3.960 0.002 0.000 0.150 285 G C -1.551 173.158 174.900 -0.319 0.000 1.269 285 G CA -0.762 44.141 45.100 -0.329 0.000 1.094 285 G HN 0.660 8.950 8.290 -0.000 0.000 0.467 286 K N 1.630 121.909 120.400 -0.203 0.000 2.401 286 K HA 0.167 4.488 4.320 0.002 0.000 0.278 286 K C 1.709 178.255 176.600 -0.090 0.000 1.018 286 K CA 0.317 56.511 56.287 -0.155 0.000 0.981 286 K CB 1.436 33.846 32.500 -0.151 0.000 0.933 286 K HN 0.836 9.086 8.250 -0.000 0.000 0.477 287 K N 0.742 121.108 120.400 -0.056 0.000 2.103 287 K HA -0.145 4.176 4.320 0.002 0.000 0.207 287 K C 1.490 178.112 176.600 0.036 0.000 1.048 287 K CA 1.586 57.871 56.287 -0.003 0.000 0.930 287 K CB -0.126 32.394 32.500 0.032 0.000 0.716 287 K HN 0.255 8.505 8.250 -0.000 0.000 0.444 288 S N 1.586 117.302 115.700 0.027 0.000 2.368 288 S HA -0.079 4.393 4.470 0.002 0.000 0.225 288 S C 1.941 176.573 174.600 0.053 0.000 1.030 288 S CA 1.392 59.634 58.200 0.070 0.000 0.999 288 S CB -0.437 62.768 63.200 0.008 0.000 0.844 288 S HN 0.270 8.580 8.310 -0.000 0.000 0.459 289 I N 1.606 122.171 120.570 -0.008 0.000 2.182 289 I HA -0.372 3.800 4.170 0.002 0.000 0.248 289 I C 2.685 178.785 176.117 -0.028 0.000 1.073 289 I CA 1.628 62.916 61.300 -0.019 0.000 1.335 289 I CB -0.438 37.558 38.000 -0.007 0.000 1.031 289 I HN 0.276 8.486 8.210 -0.000 0.000 0.420 290 R N 0.436 120.900 120.500 -0.061 0.000 2.136 290 R HA -0.258 4.083 4.340 0.002 0.000 0.242 290 R C 2.444 178.617 176.300 -0.211 0.000 1.131 290 R CA 2.477 58.462 56.100 -0.192 0.000 0.937 290 R CB -0.528 29.533 30.300 -0.399 0.000 0.863 290 R HN 0.348 8.618 8.270 -0.000 0.000 0.435 291 Y N 0.025 120.311 120.300 -0.023 0.000 2.263 291 Y HA -0.108 4.444 4.550 0.002 0.000 0.292 291 Y C 2.562 178.440 175.900 -0.035 0.000 1.130 291 Y CA 1.472 59.558 58.100 -0.024 0.000 1.179 291 Y CB -0.156 38.289 38.460 -0.026 0.000 0.998 291 Y HN 0.106 8.386 8.280 -0.000 0.000 0.532 292 K N 0.006 120.455 120.400 0.083 0.000 2.057 292 K HA -0.141 4.181 4.320 0.002 0.000 0.207 292 K C 1.931 178.524 176.600 -0.011 0.000 1.049 292 K CA 1.393 57.682 56.287 0.005 0.000 0.931 292 K CB -0.282 32.184 32.500 -0.056 0.000 0.714 292 K HN 0.085 8.335 8.250 -0.000 0.000 0.440 293 V N 1.008 120.880 119.914 -0.070 0.000 2.358 293 V HA -0.251 3.871 4.120 0.002 0.000 0.246 293 V C 2.342 178.407 176.094 -0.048 0.000 1.047 293 V CA 1.359 63.575 62.300 -0.140 0.000 1.035 293 V CB -0.312 31.405 31.823 -0.176 0.000 0.658 293 V HN 0.391 8.581 8.190 -0.000 0.000 0.452 294 M N -0.616 118.963 119.600 -0.035 0.000 2.159 294 M HA -0.157 4.325 4.480 0.002 0.000 0.263 294 M C 2.007 178.316 176.300 0.015 0.000 1.063 294 M CA 1.557 56.840 55.300 -0.028 0.000 1.110 294 M CB -1.297 31.264 32.600 -0.065 0.000 1.374 294 M HN 0.371 8.661 8.290 -0.000 0.000 0.411 295 D N 0.477 120.905 120.400 0.048 0.000 2.117 295 D HA -0.092 4.549 4.640 0.002 0.000 0.197 295 D C 2.106 178.454 176.300 0.081 0.000 0.987 295 D CA 1.156 55.200 54.000 0.072 0.000 0.829 295 D CB -0.013 40.840 40.800 0.089 0.000 0.961 295 D HN 0.370 8.740 8.370 -0.000 0.000 0.460 296 I N 0.819 121.444 120.570 0.092 0.000 2.226 296 I HA -0.247 3.924 4.170 0.002 0.000 0.245 296 I C 2.473 178.640 176.117 0.083 0.000 1.100 296 I CA 0.656 62.012 61.300 0.094 0.000 1.374 296 I CB -0.224 37.824 38.000 0.079 0.000 1.057 296 I HN -0.010 8.200 8.210 -0.000 0.000 0.413 297 L N 0.426 121.688 121.223 0.067 0.000 2.083 297 L HA -0.201 4.140 4.340 0.002 0.000 0.209 297 L C 2.593 179.479 176.870 0.026 0.000 1.083 297 L CA 1.416 56.263 54.840 0.011 0.000 0.752 297 L CB -0.620 41.369 42.059 -0.118 0.000 0.899 297 L HN 0.188 8.418 8.230 -0.000 0.000 0.433 298 K N -0.110 120.308 120.400 0.030 0.000 2.057 298 K HA -0.079 4.242 4.320 0.002 0.000 0.207 298 K C 1.164 177.791 176.600 0.045 0.000 1.049 298 K CA 1.308 57.617 56.287 0.036 0.000 0.931 298 K CB 0.056 32.580 32.500 0.039 0.000 0.714 298 K HN 0.436 8.686 8.250 -0.000 0.000 0.440 305 E N 1.088 121.301 120.200 0.023 0.000 2.051 305 E HA -0.152 4.200 4.350 0.002 0.000 0.192 305 E C 1.885 178.492 176.600 0.012 0.000 0.991 305 E CA 1.582 57.990 56.400 0.013 0.000 0.799 305 E CB 0.036 29.741 29.700 0.007 0.000 0.748 305 E HN 0.536 8.896 8.360 -0.000 0.000 0.449 306 K N 0.770 121.178 120.400 0.014 0.000 2.400 306 K HA 0.024 4.345 4.320 0.002 0.000 0.194 306 K C 1.486 178.100 176.600 0.024 0.000 1.033 306 K CA 0.496 56.788 56.287 0.008 0.000 1.021 306 K CB 0.198 32.696 32.500 -0.004 0.000 0.808 306 K HN -0.110 8.140 8.250 -0.000 0.000 0.505 307 K N 0.844 121.281 120.400 0.061 0.000 2.400 307 K HA 0.055 4.376 4.320 0.002 0.000 0.194 307 K C 1.302 177.987 176.600 0.141 0.000 1.033 307 K CA 0.451 56.827 56.287 0.149 0.000 1.021 307 K CB 0.279 32.921 32.500 0.237 0.000 0.808 307 K HN 0.096 8.346 8.250 -0.000 0.000 0.505 308 K N 1.250 121.681 120.400 0.051 0.000 2.418 308 K HA -0.065 4.256 4.320 0.002 0.000 0.195 308 K C 1.758 178.327 176.600 -0.052 0.000 1.035 308 K CA 0.623 56.910 56.287 -0.000 0.000 1.003 308 K CB 0.245 32.738 32.500 -0.011 0.000 0.793 308 K HN 0.120 8.370 8.250 -0.000 0.000 0.494 309 K N 0.462 120.841 120.400 -0.036 0.000 2.296 309 K HA -0.046 4.276 4.320 0.002 0.000 0.200 309 K C 1.552 178.085 176.600 -0.112 0.000 1.048 309 K CA 0.850 57.094 56.287 -0.072 0.000 0.966 309 K CB 0.170 32.653 32.500 -0.028 0.000 0.754 309 K HN -0.045 8.205 8.250 -0.000 0.000 0.466 310 R N 0.863 121.346 120.500 -0.027 0.000 2.280 310 R HA 0.169 4.510 4.340 0.002 0.000 0.195 310 R C -0.224 176.095 176.300 0.031 0.000 0.935 310 R CA -0.010 56.123 56.100 0.056 0.000 1.033 310 R CB 0.621 31.006 30.300 0.143 0.000 0.964 310 R HN -0.013 8.257 8.270 -0.000 0.000 0.489 311 V N 2.209 122.050 119.914 -0.121 0.000 2.427 311 V HA 0.214 4.336 4.120 0.002 0.000 0.286 311 V C -0.166 175.703 176.094 -0.375 0.000 1.034 311 V CA -0.521 61.707 62.300 -0.119 0.000 0.893 311 V CB 1.524 33.316 31.823 -0.051 0.000 0.982 311 V HN 0.218 8.408 8.190 -0.000 0.000 0.452 312 H N 2.942 121.962 119.070 -0.085 0.000 2.589 312 H HA 0.671 5.229 4.556 0.002 0.000 0.351 312 H C -1.114 174.421 175.328 0.345 0.000 1.074 312 H CA -0.487 55.577 56.048 0.027 0.000 1.203 312 H CB 2.569 32.107 29.762 -0.374 0.000 1.558 312 H HN 0.467 8.747 8.280 -0.000 0.000 0.522 313 V N 2.813 123.002 119.914 0.459 0.000 2.686 313 V HA 0.285 4.406 4.120 0.002 0.000 0.306 313 V C -0.976 175.192 176.094 0.124 0.000 1.065 313 V CA -0.426 62.056 62.300 0.304 0.000 0.894 313 V CB 2.194 34.090 31.823 0.121 0.000 1.004 313 V HN 0.877 9.067 8.190 -0.000 0.000 0.424 314 E N 4.839 124.941 120.200 -0.164 0.000 2.316 314 E HA 0.532 4.883 4.350 0.002 0.000 0.254 314 E C -1.295 175.224 176.600 -0.135 0.000 0.902 314 E CA -0.476 55.750 56.400 -0.289 0.000 0.801 314 E CB 1.968 31.172 29.700 -0.827 0.000 1.270 314 E HN 0.753 9.113 8.360 -0.000 0.000 0.414 315 V N 2.015 121.914 119.914 -0.024 0.000 2.513 315 V HA 0.819 4.941 4.120 0.002 0.000 0.299 315 V C -0.785 175.358 176.094 0.083 0.000 1.035 315 V CA -0.411 61.872 62.300 -0.029 0.000 0.889 315 V CB 0.497 32.302 31.823 -0.030 0.000 0.988 315 V HN 0.631 8.821 8.190 -0.000 0.000 0.440 316 Y N 0.000 120.269 120.300 -0.051 0.000 2.660 316 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 316 Y CA 0.000 58.074 58.100 -0.043 0.000 1.940 316 Y CB 0.000 38.418 38.460 -0.070 0.000 1.050 316 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758