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 1s40_1_A DATA FIRST_RESID 5 DATA SEQUENCE KMARKDPTIE FCQLGLDTFE TKYITMFGML VSCSFDKPAF ISFVFSDFTK DATA SEQUENCE NDIVQNYLYD RYLIDYENKL ELNEGFKAIM YKNQFETFDS KLRKIFNNGL DATA SEQUENCE RDLQNGRDEN LSQYGIVCKM NIKVKMYNGK LNAIVRECEP VPHSQISSIA DATA SEQUENCE SPSQCEHLRL FYQRAFKRIG ESAISRYFEE YRRFFPI 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 K HA 0.000 4.332 4.320 0.020 0.000 0.191 5 K C 0.000 176.616 176.600 0.027 0.000 0.988 5 K CA 0.000 56.302 56.287 0.025 0.000 0.838 5 K CB 0.000 32.514 32.500 0.023 0.000 1.064 6 M N 0.561 120.174 119.600 0.021 0.000 2.693 6 M HA 0.244 4.736 4.480 0.019 0.000 0.224 6 M C -1.615 174.693 176.300 0.014 0.000 1.149 6 M CA 0.232 55.541 55.300 0.016 0.000 0.622 6 M CB -0.387 32.218 32.600 0.007 0.000 1.443 6 M HN -0.028 8.272 8.290 0.018 0.000 0.431 7 A N 0.990 123.825 122.820 0.025 0.000 2.483 7 A HA 0.179 4.506 4.320 0.012 0.000 0.298 7 A C -1.430 176.180 177.584 0.043 0.000 1.052 7 A CA 0.958 53.008 52.037 0.023 0.000 0.978 7 A CB 0.663 19.674 19.000 0.019 0.000 1.506 7 A HN 0.114 8.287 8.150 0.038 0.000 0.388 8 R N 0.330 120.859 120.500 0.049 0.000 2.817 8 R HA 0.437 4.826 4.340 0.081 0.000 0.268 8 R C -1.519 174.823 176.300 0.070 0.000 1.027 8 R CA -1.225 54.929 56.100 0.091 0.000 0.928 8 R CB 1.275 31.694 30.300 0.198 0.000 1.228 8 R HN -0.077 8.208 8.270 0.024 0.000 0.469 9 K N -0.556 119.899 120.400 0.092 0.000 2.380 9 K HA 0.160 4.504 4.320 0.040 0.000 0.243 9 K C -1.200 175.461 176.600 0.102 0.000 1.071 9 K CA -0.741 55.587 56.287 0.068 0.000 0.942 9 K CB 1.116 33.648 32.500 0.053 0.000 1.324 9 K HN -0.003 8.314 8.250 0.111 0.000 0.517 10 D N 0.730 121.174 120.400 0.073 0.000 2.460 10 D HA 0.263 4.987 4.640 0.141 0.000 0.232 10 D C -1.676 174.671 176.300 0.077 0.000 1.079 10 D CA -3.205 50.847 54.000 0.087 0.000 0.864 10 D CB 1.033 41.859 40.800 0.044 0.000 1.048 10 D HN -0.090 8.310 8.370 0.051 0.000 0.523 11 P HA 0.112 4.558 4.420 0.044 0.000 0.307 11 P C -1.720 175.612 177.300 0.054 0.000 1.306 11 P CA -0.833 62.299 63.100 0.053 0.000 0.742 11 P CB 1.623 33.344 31.700 0.036 0.000 1.349 12 T N -2.699 111.874 114.554 0.033 0.000 3.159 12 T HA 0.178 4.566 4.350 0.062 0.000 0.343 12 T C -1.551 173.137 174.700 -0.021 0.000 1.364 12 T CA -0.209 61.914 62.100 0.039 0.000 1.102 12 T CB 2.104 71.010 68.868 0.064 0.000 1.263 12 T HN -0.214 8.036 8.240 0.017 0.000 0.477 13 I N -0.845 119.692 120.570 -0.055 0.000 3.553 13 I HA 0.517 4.615 4.170 -0.120 0.000 0.310 13 I C -3.024 172.954 176.117 -0.231 0.000 1.227 13 I CA -1.545 59.683 61.300 -0.119 0.000 1.050 13 I CB 2.239 40.192 38.000 -0.079 0.000 1.315 13 I HN -0.237 7.954 8.210 -0.032 0.000 0.452 14 E N -1.043 118.986 120.200 -0.286 0.000 2.665 14 E HA 0.139 3.974 4.350 -0.858 0.000 0.396 14 E C -1.124 175.204 176.600 -0.454 0.000 1.050 14 E CA 0.170 56.206 56.400 -0.607 0.000 0.731 14 E CB 0.487 29.853 29.700 -0.558 0.000 1.568 14 E HN 0.117 8.367 8.360 -0.184 0.000 0.385 15 F N -2.120 117.738 119.950 -0.153 0.000 2.557 15 F HA -0.537 3.918 4.527 -0.119 0.000 0.706 15 F C 1.094 176.845 175.800 -0.082 0.000 0.486 15 F CA 2.543 60.472 58.000 -0.118 0.000 0.712 15 F CB -2.179 36.755 39.000 -0.111 0.000 1.599 15 F HN 0.405 8.668 8.300 -0.063 0.000 0.268 16 C N -1.051 118.330 119.300 0.134 0.000 2.435 16 C HA -0.305 4.184 4.460 0.048 0.000 0.279 16 C C 0.188 175.185 174.990 0.012 0.000 1.321 16 C CA 1.305 60.351 59.018 0.047 0.000 1.752 16 C CB 0.154 27.908 27.740 0.024 0.000 1.959 16 C HN 0.212 8.498 8.230 0.145 0.032 0.500 17 Q N -1.417 118.368 119.800 -0.024 0.000 2.373 17 Q HA 0.033 4.362 4.340 -0.019 0.000 0.206 17 Q C 0.270 176.254 176.000 -0.026 0.000 0.942 17 Q CA -0.387 55.394 55.803 -0.037 0.000 0.953 17 Q CB -0.058 28.629 28.738 -0.084 0.000 1.022 17 Q HN -0.536 7.577 8.270 -0.054 0.125 0.502 18 L N -0.934 120.288 121.223 -0.002 0.000 2.240 18 L HA -0.255 4.083 4.340 -0.004 0.000 0.166 18 L C 1.245 178.113 176.870 -0.003 0.000 0.893 18 L CA 1.581 56.424 54.840 0.005 0.000 1.058 18 L CB -0.032 42.047 42.059 0.033 0.000 1.371 18 L HN -0.483 7.546 8.230 0.018 0.211 0.480 19 G N -5.165 103.634 108.800 -0.001 0.000 3.987 19 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.220 19 G HA3 -0.058 3.895 3.960 -0.011 0.000 0.220 19 G C -0.608 174.288 174.900 -0.007 0.000 0.871 19 G CA -0.482 44.615 45.100 -0.005 0.000 0.881 19 G HN -0.091 8.202 8.290 0.005 0.000 0.674 20 L N -0.360 120.859 121.223 -0.007 0.000 2.347 20 L HA -0.090 4.235 4.340 -0.024 0.000 0.249 20 L C -0.913 175.962 176.870 0.008 0.000 1.260 20 L CA 1.762 56.598 54.840 -0.008 0.000 0.815 20 L CB 0.398 42.457 42.059 0.000 0.000 1.096 20 L HN -0.331 7.896 8.230 -0.005 0.000 0.604 21 D N -4.138 116.273 120.400 0.017 0.000 2.648 21 D HA 0.086 4.747 4.640 0.035 0.000 0.244 21 D C -0.150 176.187 176.300 0.061 0.000 1.244 21 D CA -0.559 53.464 54.000 0.039 0.000 0.772 21 D CB 2.531 43.358 40.800 0.045 0.000 1.379 21 D HN -0.497 7.879 8.370 0.010 0.000 0.428 22 T N 1.482 116.084 114.554 0.081 0.000 2.428 22 T HA -0.365 4.036 4.350 0.084 0.000 0.248 22 T C 0.635 175.427 174.700 0.153 0.000 1.284 22 T CA 4.215 66.382 62.100 0.112 0.000 1.217 22 T CB -0.039 68.904 68.868 0.126 0.000 0.864 22 T HN 0.244 8.525 8.240 0.069 0.000 0.402 23 F N -1.888 118.066 119.950 0.007 0.000 2.583 23 F HA -0.197 4.337 4.527 0.012 0.000 0.297 23 F C 0.548 176.348 175.800 -0.001 0.000 1.131 23 F CA 1.166 59.169 58.000 0.006 0.000 1.467 23 F CB 0.072 39.074 39.000 0.003 0.000 1.097 23 F HN 0.252 8.754 8.300 0.337 0.000 0.586 24 E N -1.139 119.112 120.200 0.084 0.000 4.068 24 E HA 0.039 4.399 4.350 0.017 0.000 0.355 24 E C -0.540 176.021 176.600 -0.064 0.000 1.511 24 E CA 0.444 56.848 56.400 0.006 0.000 1.957 24 E CB 0.883 30.592 29.700 0.015 0.000 1.345 24 E HN -0.535 7.676 8.360 0.119 0.220 0.796 25 T N -2.687 111.820 114.554 -0.078 0.000 3.109 25 T HA -0.047 4.362 4.350 -0.072 -0.102 0.352 25 T C -2.109 172.468 174.700 -0.205 0.000 1.779 25 T CA 0.144 62.181 62.100 -0.104 0.000 1.022 25 T CB 1.004 69.814 68.868 -0.097 0.000 1.911 25 T HN 0.007 8.204 8.240 -0.072 0.000 0.528 26 K N 0.651 120.891 120.400 -0.267 0.000 2.826 26 K HA 0.303 3.961 4.320 -1.103 0.000 0.292 26 K C -2.801 173.484 176.600 -0.524 0.000 0.946 26 K CA -0.597 55.289 56.287 -0.668 0.000 0.717 26 K CB 1.906 34.138 32.500 -0.448 0.000 1.366 26 K HN 0.268 8.428 8.250 -0.150 0.000 0.357 27 Y N -2.129 118.168 120.300 -0.006 0.000 2.462 27 Y HA 0.885 5.604 4.550 -0.010 -0.176 0.346 27 Y C -0.274 175.617 175.900 -0.014 0.000 0.976 27 Y CA -2.109 55.984 58.100 -0.011 0.000 1.044 27 Y CB 2.839 41.291 38.460 -0.012 0.000 1.230 27 Y HN -0.169 7.613 8.280 -0.831 0.000 0.455 28 I N -3.044 117.591 120.570 0.107 0.000 2.918 28 I HA 0.476 4.674 4.170 0.047 0.000 0.301 28 I C -1.696 174.420 176.117 -0.002 0.000 1.312 28 I CA -1.233 60.089 61.300 0.037 0.000 1.007 28 I CB 4.223 42.221 38.000 -0.002 0.000 1.281 28 I HN 0.935 9.214 8.210 0.116 0.000 0.440 29 T N 6.831 121.381 114.554 -0.006 0.000 2.770 29 T HA 0.444 4.918 4.350 -0.164 -0.222 0.297 29 T C -0.456 174.188 174.700 -0.093 0.000 0.997 29 T CA 0.134 62.185 62.100 -0.082 0.000 0.949 29 T CB 0.757 69.638 68.868 0.021 0.000 0.941 29 T HN 0.226 8.483 8.240 0.028 0.000 0.457 30 M N 6.566 126.008 119.600 -0.264 0.000 2.336 30 M HA 0.273 4.668 4.480 -0.141 0.000 0.342 30 M C -1.362 174.715 176.300 -0.371 0.000 1.128 30 M CA -0.441 54.700 55.300 -0.264 0.000 1.016 30 M CB 3.043 35.398 32.600 -0.408 0.000 1.665 30 M HN -0.159 7.954 8.290 -0.296 0.000 0.445 31 F N 1.852 121.611 119.950 -0.319 0.000 2.436 31 F HA 0.430 4.947 4.527 -0.270 -0.152 0.340 31 F C -0.222 175.439 175.800 -0.231 0.000 1.113 31 F CA -1.649 56.185 58.000 -0.277 0.000 1.022 31 F CB 2.057 40.896 39.000 -0.268 0.000 1.128 31 F HN -0.385 8.260 8.300 0.226 -0.209 0.466 32 G N 1.402 110.165 108.800 -0.062 0.000 2.495 32 G HA2 0.391 4.287 3.960 -0.110 0.000 0.294 32 G HA3 0.391 4.681 3.960 0.450 -0.060 0.294 32 G C -3.170 171.878 174.900 0.248 0.000 1.397 32 G CA 0.130 45.301 45.100 0.118 0.000 0.790 32 G HN -0.331 7.856 8.290 -0.171 0.000 0.486 33 M N 0.086 119.935 119.600 0.416 0.000 2.300 33 M HA 0.528 5.263 4.480 0.331 -0.057 0.348 33 M C -1.632 174.806 176.300 0.229 0.000 1.151 33 M CA -0.245 55.294 55.300 0.399 0.000 1.046 33 M CB 3.276 36.203 32.600 0.545 0.000 1.647 33 M HN 0.344 8.963 8.290 0.548 0.000 0.451 34 L N 5.065 126.191 121.223 -0.162 0.000 2.456 34 L HA -0.073 3.272 4.340 -1.659 0.000 0.272 34 L C -1.448 175.254 176.870 -0.280 0.000 1.189 34 L CA 1.232 55.572 54.840 -0.834 0.000 0.846 34 L CB 0.805 42.406 42.059 -0.764 0.000 1.111 34 L HN -0.060 8.208 8.230 0.063 0.000 0.475 35 V N 5.788 125.546 119.914 -0.261 0.000 3.431 35 V HA 0.339 4.559 4.120 -0.004 -0.102 0.255 35 V C 0.191 176.264 176.094 -0.036 0.000 1.403 35 V CA -0.448 61.809 62.300 -0.071 0.000 1.101 35 V CB 1.450 33.245 31.823 -0.047 0.000 0.891 35 V HN 0.576 8.518 8.190 -0.413 0.000 0.446 36 S N -1.561 114.084 115.700 -0.092 0.000 2.720 36 S HA 0.201 4.712 4.470 0.069 0.000 0.287 36 S C -2.246 172.333 174.600 -0.034 0.000 1.168 36 S CA -0.859 57.326 58.200 -0.024 0.000 0.832 36 S CB 1.392 64.533 63.200 -0.099 0.000 1.166 36 S HN -0.621 7.577 8.310 -0.187 0.000 0.493 37 C N 0.447 119.677 119.300 -0.117 0.000 3.303 37 C HA 0.699 4.942 4.460 -0.718 -0.213 0.340 37 C C -2.564 172.210 174.990 -0.361 0.000 1.274 37 C CA -1.188 57.579 59.018 -0.419 0.000 1.234 37 C CB 3.283 30.891 27.740 -0.221 0.000 1.532 37 C HN 0.466 8.658 8.230 -0.062 0.000 0.483 38 S N 1.450 116.851 115.700 -0.497 0.000 2.385 38 S HA 0.411 5.001 4.470 -0.058 -0.154 0.191 38 S C 0.071 174.592 174.600 -0.131 0.000 1.196 38 S CA -0.642 57.431 58.200 -0.211 0.000 1.178 38 S CB 1.372 64.425 63.200 -0.245 0.000 1.258 38 S HN 0.491 8.206 8.310 -0.868 0.074 0.430 39 F N 5.123 124.893 119.950 -0.301 0.000 2.797 39 F HA 0.427 4.903 4.527 -0.312 -0.136 0.302 39 F C -0.777 174.928 175.800 -0.159 0.000 1.130 39 F CA -1.934 55.901 58.000 -0.275 0.000 1.387 39 F CB -0.003 38.815 39.000 -0.303 0.000 1.107 39 F HN -0.185 8.519 8.300 0.475 -0.118 0.577 40 D N -0.277 119.821 120.400 -0.503 0.000 2.117 40 D HA -0.221 3.811 4.640 -1.013 0.000 0.197 40 D C 0.379 176.467 176.300 -0.354 0.000 0.987 40 D CA 1.690 55.333 54.000 -0.596 0.000 0.829 40 D CB 0.240 40.898 40.800 -0.237 0.000 0.961 40 D HN -0.159 8.095 8.370 -0.072 0.073 0.460 41 K N -1.285 119.024 120.400 -0.153 0.000 2.484 41 K HA 0.013 4.280 4.320 -0.089 0.000 0.280 41 K C -0.209 176.293 176.600 -0.163 0.000 1.013 41 K CA -1.445 54.805 56.287 -0.061 0.000 1.029 41 K CB -0.387 32.278 32.500 0.275 0.000 0.902 41 K HN -0.197 7.995 8.250 -0.096 0.000 0.481 42 P HA 0.009 4.297 4.420 -0.220 0.000 0.242 42 P C -1.016 176.125 177.300 -0.264 0.000 1.197 42 P CA 1.241 64.209 63.100 -0.220 0.000 0.765 42 P CB 0.261 31.855 31.700 -0.177 0.000 0.936 43 A N -3.026 119.516 122.820 -0.462 0.000 2.288 43 A HA 0.215 4.347 4.320 -0.314 0.000 0.216 43 A C -1.764 175.514 177.584 -0.510 0.000 1.199 43 A CA 0.666 52.304 52.037 -0.665 0.000 0.891 43 A CB 1.032 19.301 19.000 -1.218 0.000 0.923 43 A HN 0.012 7.766 8.150 -0.495 0.098 0.500 44 F N -7.693 112.223 119.950 -0.057 0.000 3.902 44 F HA 0.197 4.691 4.527 -0.056 0.000 0.313 44 F C -2.759 172.951 175.800 -0.149 0.000 0.939 44 F CA -2.192 55.777 58.000 -0.051 0.000 0.790 44 F CB -0.026 39.002 39.000 0.045 0.000 1.773 44 F HN -0.730 7.537 8.300 -0.055 0.000 0.444 45 I N 0.629 121.263 120.570 0.106 0.000 2.750 45 I HA 0.205 4.385 4.170 -0.203 -0.132 0.279 45 I C 0.177 175.914 176.117 -0.633 0.000 1.206 45 I CA -1.045 60.098 61.300 -0.262 0.000 1.101 45 I CB 0.743 38.581 38.000 -0.269 0.000 1.431 45 I HN 0.200 8.522 8.210 0.186 0.000 0.551 46 S N 4.654 119.968 115.700 -0.642 0.000 2.817 46 S HA -0.301 3.753 4.470 -0.694 0.000 0.333 46 S C -1.175 173.006 174.600 -0.698 0.000 1.227 46 S CA 2.263 60.065 58.200 -0.663 0.000 1.027 46 S CB 0.408 63.288 63.200 -0.533 0.000 0.732 46 S HN -0.258 7.750 8.310 -0.502 0.000 0.499 47 F N 3.940 123.734 119.950 -0.260 0.000 2.588 47 F HA 0.219 4.738 4.527 -0.251 -0.143 0.314 47 F C -1.184 174.430 175.800 -0.310 0.000 1.069 47 F CA -1.184 56.663 58.000 -0.255 0.000 0.931 47 F CB 4.972 43.860 39.000 -0.186 0.000 1.260 47 F HN 0.140 8.345 8.300 -0.158 0.000 0.465 48 V N 2.068 121.879 119.914 -0.171 0.000 2.419 48 V HA 0.648 4.804 4.120 -0.326 -0.232 0.287 48 V C -1.499 174.323 176.094 -0.453 0.000 1.017 48 V CA -1.379 60.738 62.300 -0.305 0.000 0.844 48 V CB 1.535 33.213 31.823 -0.242 0.000 1.011 48 V HN 0.020 8.127 8.190 -0.137 0.000 0.429 49 F N 7.416 126.953 119.950 -0.688 0.000 2.364 49 F HA 0.483 5.059 4.527 -0.175 -0.154 0.316 49 F C -0.124 175.613 175.800 -0.105 0.000 1.133 49 F CA -0.726 56.992 58.000 -0.470 0.000 1.051 49 F CB 3.474 42.043 39.000 -0.718 0.000 1.342 49 F HN 0.332 8.130 8.300 -0.837 0.000 0.507 50 S N -3.960 112.097 115.700 0.595 0.000 2.567 50 S HA 0.411 5.488 4.470 0.768 -0.146 0.270 50 S C -1.997 173.045 174.600 0.736 0.000 1.152 50 S CA -0.062 58.528 58.200 0.650 0.000 0.835 50 S CB 2.999 66.417 63.200 0.364 0.000 1.115 50 S HN -0.302 8.428 8.310 0.700 0.000 0.459 51 D N -0.393 120.432 120.400 0.709 0.000 4.461 51 D HA 0.236 5.419 4.640 0.906 0.000 0.353 51 D C -2.375 174.287 176.300 0.603 0.000 1.668 51 D CA 0.269 54.682 54.000 0.688 0.000 0.985 51 D CB 0.836 41.906 40.800 0.451 0.000 1.496 51 D HN -0.124 8.658 8.370 0.688 0.000 0.647 52 F N -0.537 119.576 119.950 0.273 0.000 2.537 52 F HA 0.402 5.038 4.527 0.183 0.000 0.232 52 F C -0.294 175.639 175.800 0.223 0.000 1.007 52 F CA 0.267 58.382 58.000 0.191 0.000 1.042 52 F CB 1.330 40.407 39.000 0.129 0.000 2.119 52 F HN 0.215 8.808 8.300 0.489 0.000 0.625 53 T N -3.219 111.246 114.554 -0.149 0.000 0.541 53 T HA -0.469 3.783 4.350 -0.163 0.000 0.774 53 T C -1.532 173.198 174.700 0.050 0.000 0.992 53 T CA 1.354 63.418 62.100 -0.060 0.000 4.077 53 T CB 0.347 69.236 68.868 0.035 0.000 2.303 53 T HN -0.040 7.948 8.240 -0.419 0.000 0.398 54 K N -0.303 120.159 120.400 0.104 0.000 2.565 54 K HA 0.400 4.906 4.320 0.005 -0.183 0.249 54 K C -1.407 175.214 176.600 0.035 0.000 0.958 54 K CA -1.179 55.127 56.287 0.031 0.000 0.806 54 K CB 3.032 35.502 32.500 -0.050 0.000 1.194 54 K HN 0.156 8.468 8.250 0.103 0.000 0.434 55 N N 5.031 123.653 118.700 -0.130 0.000 2.412 55 N HA -0.268 4.468 4.740 -0.007 0.000 0.254 55 N C -0.735 174.738 175.510 -0.061 0.000 1.232 55 N CA 1.913 54.880 53.050 -0.137 0.000 0.880 55 N CB 0.699 38.976 38.487 -0.351 0.000 1.076 55 N HN 0.649 8.723 8.380 -0.292 0.131 0.458 56 D N 3.583 123.973 120.400 -0.017 0.000 2.441 56 D HA 0.019 4.645 4.640 -0.024 0.000 0.210 56 D C -0.074 176.218 176.300 -0.012 0.000 1.102 56 D CA 0.265 54.256 54.000 -0.014 0.000 0.840 56 D CB 0.924 41.725 40.800 0.003 0.000 0.990 56 D HN 0.383 8.759 8.370 0.009 0.000 0.505 57 I N 0.145 120.707 120.570 -0.012 0.000 3.211 57 I HA -0.035 4.137 4.170 0.003 0.000 0.297 57 I C 0.124 176.234 176.117 -0.011 0.000 1.095 57 I CA -0.178 61.120 61.300 -0.004 0.000 1.239 57 I CB 0.846 38.849 38.000 0.006 0.000 1.455 57 I HN -0.845 7.355 8.210 -0.016 0.000 0.630 58 V N 1.820 121.733 119.914 -0.001 0.000 2.649 58 V HA -0.190 3.926 4.120 -0.007 0.000 0.248 58 V C -0.410 175.684 176.094 0.000 0.000 1.054 58 V CA 1.177 63.475 62.300 -0.002 0.000 1.073 58 V CB 0.415 32.240 31.823 0.004 0.000 0.699 58 V HN 0.341 8.535 8.190 0.007 0.000 0.463 59 Q N -3.711 116.095 119.800 0.010 0.000 1.457 59 Q HA -0.455 3.985 4.340 0.040 -0.075 0.442 59 Q C -1.664 174.352 176.000 0.027 0.000 0.961 59 Q CA 0.979 56.796 55.803 0.023 0.000 0.596 59 Q CB -1.092 27.651 28.738 0.008 0.000 4.789 59 Q HN -0.110 8.168 8.270 0.014 0.000 0.637 60 N N -1.179 117.547 118.700 0.042 0.000 3.100 60 N HA 0.011 4.788 4.740 0.062 0.000 0.344 60 N C 0.099 175.672 175.510 0.105 0.000 1.413 60 N CA -1.510 51.585 53.050 0.074 0.000 0.752 60 N CB 1.122 39.663 38.487 0.090 0.000 1.519 60 N HN 0.038 8.444 8.380 0.043 0.000 0.620 61 Y N 0.475 120.789 120.300 0.024 0.000 2.241 61 Y HA -0.198 4.354 4.550 0.003 0.000 0.286 61 Y C 0.138 176.063 175.900 0.041 0.000 1.166 61 Y CA 2.132 60.248 58.100 0.027 0.000 1.203 61 Y CB 0.200 38.691 38.460 0.051 0.000 0.977 61 Y HN 0.135 8.578 8.280 0.272 0.000 0.529 62 L N -6.168 115.100 121.223 0.075 0.000 4.179 62 L HA -0.378 3.982 4.340 0.033 0.000 0.418 62 L C -1.449 175.416 176.870 -0.008 0.000 1.168 62 L CA 0.609 55.443 54.840 -0.010 0.000 0.972 62 L CB -1.318 40.683 42.059 -0.096 0.000 2.005 62 L HN -0.326 7.991 8.230 0.178 0.020 0.935 63 Y N -2.408 117.824 120.300 -0.113 0.000 2.744 63 Y HA -0.429 4.420 4.550 0.498 0.000 0.408 63 Y C -0.822 174.837 175.900 -0.401 0.000 1.102 63 Y CA 2.056 60.126 58.100 -0.051 0.000 2.076 63 Y CB -0.494 37.922 38.460 -0.074 0.000 1.106 63 Y HN -0.441 8.097 8.280 0.511 0.049 0.668 64 D N -2.202 118.057 120.400 -0.234 0.000 2.562 64 D HA 0.197 4.673 4.640 -0.273 0.000 0.246 64 D C -0.594 175.532 176.300 -0.289 0.000 1.347 64 D CA -0.344 53.495 54.000 -0.268 0.000 0.800 64 D CB 0.252 40.929 40.800 -0.204 0.000 1.111 64 D HN 0.041 8.284 8.370 -0.211 0.000 0.508 65 R N -1.879 118.372 120.500 -0.415 0.000 3.266 65 R HA -0.485 3.416 4.340 -0.733 0.000 0.245 65 R C -1.779 174.270 176.300 -0.419 0.000 0.941 65 R CA 0.603 56.395 56.100 -0.513 0.000 0.638 65 R CB -2.685 27.494 30.300 -0.202 0.000 1.019 65 R HN 0.063 8.156 8.270 -0.294 0.000 0.462 66 Y N -5.400 114.906 120.300 0.011 0.000 2.619 66 Y HA -0.301 4.244 4.550 -0.009 0.000 0.423 66 Y C 0.193 176.172 175.900 0.133 0.000 1.360 66 Y CA -1.137 56.952 58.100 -0.019 0.000 1.828 66 Y CB -2.305 35.983 38.460 -0.287 0.000 1.236 66 Y HN -0.521 6.917 8.280 -1.396 0.004 0.451 67 L N 0.262 121.637 121.223 0.254 0.000 2.456 67 L HA -0.290 4.176 4.340 0.211 0.000 0.291 67 L C 1.506 178.595 176.870 0.365 0.000 1.299 67 L CA 0.767 55.758 54.840 0.251 0.000 0.822 67 L CB 0.216 42.376 42.059 0.167 0.000 1.070 67 L HN 0.096 8.425 8.230 0.164 0.000 0.576 68 I N -2.419 118.298 120.570 0.245 0.000 2.229 68 I HA -0.460 3.787 4.170 0.129 0.000 0.250 68 I C -0.184 175.981 176.117 0.081 0.000 1.096 68 I CA 2.620 64.011 61.300 0.153 0.000 1.358 68 I CB 0.126 38.202 38.000 0.126 0.000 1.047 68 I HN 0.305 8.634 8.210 0.197 0.000 0.422 69 D N -2.187 118.314 120.400 0.168 0.000 2.317 69 D HA -0.056 4.607 4.640 0.038 0.000 0.252 69 D C -0.637 175.900 176.300 0.396 0.000 1.174 69 D CA 0.049 54.141 54.000 0.153 0.000 0.866 69 D CB -0.208 40.664 40.800 0.120 0.000 1.127 69 D HN -0.339 8.116 8.370 0.178 0.022 0.467 70 Y N 2.787 123.126 120.300 0.064 0.000 2.596 70 Y HA -0.014 4.591 4.550 0.090 0.000 0.316 70 Y C 0.215 176.142 175.900 0.045 0.000 1.156 70 Y CA -2.410 55.723 58.100 0.055 0.000 1.300 70 Y CB -0.632 37.835 38.460 0.011 0.000 1.130 70 Y HN 0.273 8.638 8.280 0.142 0.000 0.518 71 E N 0.403 120.727 120.200 0.207 0.000 2.110 71 E HA -0.034 4.380 4.350 0.107 0.000 0.193 71 E C -0.308 176.349 176.600 0.095 0.000 0.950 71 E CA 0.715 57.187 56.400 0.119 0.000 0.840 71 E CB 0.427 30.181 29.700 0.090 0.000 0.809 71 E HN -0.172 8.197 8.360 0.215 0.120 0.465 72 N N -0.754 118.005 118.700 0.098 0.000 2.545 72 N HA 0.141 4.915 4.740 0.057 0.000 0.289 72 N C -1.331 174.225 175.510 0.076 0.000 1.279 72 N CA -0.652 52.440 53.050 0.071 0.000 0.824 72 N CB 2.373 40.894 38.487 0.057 0.000 1.395 72 N HN -0.003 8.447 8.380 0.116 0.000 0.526 73 K N -1.304 119.124 120.400 0.046 0.000 2.261 73 K HA 0.226 4.574 4.320 0.047 0.000 0.242 73 K C -1.434 175.169 176.600 0.005 0.000 1.083 73 K CA -1.048 55.256 56.287 0.027 0.000 0.880 73 K CB 2.627 35.130 32.500 0.004 0.000 1.353 73 K HN -0.064 8.207 8.250 0.035 0.000 0.486 74 L N -4.521 116.687 121.223 -0.025 0.000 2.230 74 L HA 0.421 4.752 4.340 -0.015 0.000 0.255 74 L C -0.803 176.022 176.870 -0.075 0.000 1.039 74 L CA -2.674 52.147 54.840 -0.031 0.000 0.846 74 L CB 2.572 44.624 42.059 -0.012 0.000 1.419 74 L HN 0.175 8.376 8.230 -0.048 0.000 0.435 75 E N -1.487 118.670 120.200 -0.072 0.000 2.391 75 E HA -0.055 4.227 4.350 -0.114 0.000 0.255 75 E C 0.203 176.711 176.600 -0.153 0.000 1.187 75 E CA -0.208 56.128 56.400 -0.106 0.000 0.941 75 E CB 0.674 30.326 29.700 -0.081 0.000 1.010 75 E HN 0.171 8.502 8.360 -0.049 0.000 0.458 76 L N -2.485 118.623 121.223 -0.193 0.000 2.591 76 L HA -0.025 4.173 4.340 -0.237 0.000 0.228 76 L C -0.767 175.988 176.870 -0.191 0.000 1.133 76 L CA 0.748 55.453 54.840 -0.223 0.000 0.880 76 L CB -0.571 41.325 42.059 -0.271 0.000 1.033 76 L HN 0.372 8.497 8.230 -0.176 0.000 0.450 77 N N -3.910 114.686 118.700 -0.173 0.000 2.280 77 N HA -0.056 4.533 4.740 -0.253 0.000 0.192 77 N C 0.486 175.837 175.510 -0.265 0.000 1.109 77 N CA 1.121 54.045 53.050 -0.211 0.000 0.855 77 N CB -0.072 38.335 38.487 -0.134 0.000 0.974 77 N HN -0.128 8.077 8.380 -0.143 0.089 0.482 78 E N 0.687 120.782 120.200 -0.174 0.000 2.340 78 E HA 0.189 4.535 4.350 -0.007 0.000 0.198 78 E C -0.873 175.738 176.600 0.019 0.000 0.961 78 E CA 0.759 57.129 56.400 -0.051 0.000 0.905 78 E CB 1.801 31.516 29.700 0.025 0.000 0.884 78 E HN -0.729 7.486 8.360 -0.142 0.060 0.491 79 G N -3.359 105.431 108.800 -0.016 0.000 2.735 79 G HA2 0.620 4.951 3.960 0.497 0.000 0.301 79 G HA3 0.620 4.638 3.960 0.088 -0.005 0.301 79 G C -2.273 172.759 174.900 0.221 0.000 1.279 79 G CA -1.238 43.978 45.100 0.194 0.000 1.019 79 G HN -0.810 7.425 8.290 -0.092 0.000 0.497 80 F N -7.567 112.369 119.950 -0.023 0.000 2.713 80 F HA 0.468 4.940 4.527 -0.090 0.000 0.311 80 F C -2.500 173.342 175.800 0.070 0.000 1.141 80 F CA -2.501 55.487 58.000 -0.021 0.000 0.939 80 F CB 1.754 40.758 39.000 0.007 0.000 1.325 80 F HN -0.308 7.902 8.300 -0.149 0.000 0.453 81 K N 1.472 121.887 120.400 0.025 0.000 2.143 81 K HA 0.697 5.133 4.320 -0.159 -0.212 0.272 81 K C -1.393 175.221 176.600 0.023 0.000 1.001 81 K CA -1.033 55.216 56.287 -0.064 0.000 0.915 81 K CB 1.882 34.362 32.500 -0.033 0.000 1.047 81 K HN 0.206 8.544 8.250 0.148 0.000 0.458 82 A N 6.232 129.060 122.820 0.013 0.000 2.393 82 A HA 0.431 4.825 4.320 0.124 0.000 0.306 82 A C -2.319 175.315 177.584 0.084 0.000 1.050 82 A CA -1.529 50.570 52.037 0.103 0.000 0.724 82 A CB 3.088 22.194 19.000 0.177 0.000 1.248 82 A HN 0.986 9.001 8.150 -0.015 0.127 0.424 83 I N -4.427 116.176 120.570 0.054 0.000 3.191 83 I HA 0.438 4.651 4.170 0.073 0.000 0.313 83 I C -2.203 173.995 176.117 0.135 0.000 1.193 83 I CA -1.877 59.444 61.300 0.036 0.000 0.968 83 I CB 4.619 42.531 38.000 -0.147 0.000 1.262 83 I HN 0.079 8.327 8.210 0.065 0.000 0.456 84 M N -1.515 118.223 119.600 0.230 0.000 2.346 84 M HA 0.243 4.863 4.480 0.233 0.000 0.287 84 M C -2.031 174.501 176.300 0.387 0.000 1.100 84 M CA -0.179 55.281 55.300 0.266 0.000 0.950 84 M CB 1.918 34.630 32.600 0.186 0.000 1.815 84 M HN -0.197 8.249 8.290 0.261 0.000 0.497 85 Y N 4.661 125.083 120.300 0.203 0.000 3.073 85 Y HA -0.323 4.330 4.550 0.171 0.000 0.344 85 Y C 1.296 177.334 175.900 0.230 0.000 1.277 85 Y CA 0.598 58.806 58.100 0.180 0.000 1.534 85 Y CB 0.401 38.930 38.460 0.114 0.000 1.273 85 Y HN 0.305 8.836 8.280 0.418 0.000 0.633 86 K N 4.619 124.879 120.400 -0.234 0.000 2.089 86 K HA -0.571 3.798 4.320 0.082 0.000 0.210 86 K C 1.829 178.487 176.600 0.095 0.000 1.048 86 K CA 4.724 60.963 56.287 -0.079 0.000 0.926 86 K CB -0.350 31.967 32.500 -0.304 0.000 0.714 86 K HN 0.657 8.588 8.250 -0.530 0.000 0.448 87 N N -1.826 116.824 118.700 -0.083 0.000 2.104 87 N HA -0.302 4.498 4.740 0.100 0.000 0.190 87 N C 2.507 178.140 175.510 0.205 0.000 1.024 87 N CA 3.344 56.457 53.050 0.105 0.000 0.853 87 N CB -0.762 37.822 38.487 0.161 0.000 1.008 87 N HN 0.129 8.215 8.380 -0.485 0.004 0.424 88 Q N -0.514 119.444 119.800 0.264 0.000 2.167 88 Q HA -0.221 4.232 4.340 0.189 0.000 0.202 88 Q C 2.193 178.369 176.000 0.294 0.000 0.970 88 Q CA 2.861 58.812 55.803 0.246 0.000 0.855 88 Q CB -0.578 28.317 28.738 0.261 0.000 0.911 88 Q HN -0.334 8.026 8.270 0.307 0.094 0.438 89 F N 2.094 122.170 119.950 0.211 0.000 2.163 89 F HA -0.287 4.482 4.527 0.404 0.000 0.297 89 F C 0.753 176.753 175.800 0.334 0.000 1.094 89 F CA 2.968 61.174 58.000 0.343 0.000 1.290 89 F CB 0.294 39.483 39.000 0.316 0.000 1.017 89 F HN 0.615 8.961 8.300 0.475 0.238 0.483 90 E N -0.164 120.213 120.200 0.295 0.000 2.038 90 E HA -0.447 3.872 4.350 -0.051 0.000 0.195 90 E C 2.616 179.173 176.600 -0.071 0.000 1.000 90 E CA 3.640 60.077 56.400 0.061 0.000 0.803 90 E CB -0.611 29.192 29.700 0.171 0.000 0.750 90 E HN 0.720 9.182 8.360 0.482 0.188 0.448 91 T N 1.835 116.405 114.554 0.027 0.000 2.699 91 T HA -0.357 3.981 4.350 -0.020 0.000 0.268 91 T C 1.843 176.518 174.700 -0.042 0.000 1.036 91 T CA 4.932 67.034 62.100 0.003 0.000 1.147 91 T CB -0.185 68.719 68.868 0.059 0.000 0.862 91 T HN -0.132 8.168 8.240 0.100 0.000 0.446 92 F N 3.148 122.993 119.950 -0.175 0.000 2.084 92 F HA -0.233 4.196 4.527 -0.162 0.000 0.296 92 F C 1.337 176.952 175.800 -0.308 0.000 1.111 92 F CA 2.727 60.592 58.000 -0.225 0.000 1.224 92 F CB -0.157 38.704 39.000 -0.232 0.000 0.991 92 F HN -0.400 7.898 8.300 0.152 0.092 0.471 93 D N -0.523 119.190 120.400 -1.145 0.000 2.149 93 D HA -0.421 3.304 4.640 -1.526 0.000 0.198 93 D C 2.375 178.314 176.300 -0.602 0.000 0.990 93 D CA 3.697 57.019 54.000 -1.131 0.000 0.839 93 D CB -0.375 39.863 40.800 -0.937 0.000 0.948 93 D HN 0.671 8.461 8.370 -0.764 0.122 0.460 94 S N -0.576 114.889 115.700 -0.391 0.000 2.370 94 S HA -0.337 4.019 4.470 -0.189 0.000 0.226 94 S C 2.036 176.503 174.600 -0.222 0.000 1.033 94 S CA 4.041 62.105 58.200 -0.227 0.000 1.011 94 S CB -0.015 63.101 63.200 -0.140 0.000 0.852 94 S HN 0.522 8.409 8.310 -0.365 0.203 0.457 95 K N 0.532 120.779 120.400 -0.255 0.000 2.147 95 K HA -0.246 3.995 4.320 -0.131 0.000 0.205 95 K C 2.176 178.651 176.600 -0.209 0.000 1.049 95 K CA 2.012 58.183 56.287 -0.192 0.000 0.936 95 K CB -0.776 31.624 32.500 -0.167 0.000 0.722 95 K HN -0.400 7.575 8.250 -0.295 0.098 0.446 96 L N -2.497 118.524 121.223 -0.338 0.000 2.095 96 L HA -0.220 4.042 4.340 -0.130 0.000 0.204 96 L C 2.119 178.915 176.870 -0.123 0.000 1.080 96 L CA 2.659 57.353 54.840 -0.244 0.000 0.759 96 L CB -0.118 41.656 42.059 -0.476 0.000 0.914 96 L HN -0.882 6.916 8.230 -0.513 0.124 0.439 97 R N -0.761 119.634 120.500 -0.175 0.000 2.211 97 R HA -0.312 4.233 4.340 -0.055 -0.238 0.240 97 R C 2.440 178.705 176.300 -0.059 0.000 1.144 97 R CA 3.193 59.237 56.100 -0.093 0.000 0.992 97 R CB -0.399 29.831 30.300 -0.116 0.000 0.869 97 R HN 0.585 8.578 8.270 -0.268 0.116 0.462 98 K N -2.182 118.170 120.400 -0.079 0.000 2.365 98 K HA -0.123 4.154 4.320 -0.071 0.000 0.197 98 K C 1.105 177.650 176.600 -0.093 0.000 1.042 98 K CA 1.724 57.965 56.287 -0.077 0.000 0.987 98 K CB -0.319 32.134 32.500 -0.079 0.000 0.779 98 K HN -0.631 7.509 8.250 -0.103 0.049 0.484 99 I N -3.177 117.346 120.570 -0.077 0.000 3.968 99 I HA -0.091 3.954 4.170 -0.209 0.000 0.328 99 I C -0.215 175.728 176.117 -0.291 0.000 1.290 99 I CA 1.438 62.644 61.300 -0.157 0.000 1.163 99 I CB 0.921 38.878 38.000 -0.071 0.000 1.024 99 I HN -0.007 7.993 8.210 -0.041 0.185 0.413 100 F N -2.693 117.158 119.950 -0.166 0.000 2.856 100 F HA 0.104 4.531 4.527 -0.166 0.000 0.338 100 F C -0.408 175.312 175.800 -0.134 0.000 1.100 100 F CA -0.005 57.894 58.000 -0.170 0.000 1.150 100 F CB 2.920 41.791 39.000 -0.216 0.000 1.101 100 F HN -0.292 7.880 8.300 0.062 0.165 0.548 101 N N -0.520 118.193 118.700 0.022 0.000 2.765 101 N HA -0.447 4.336 4.740 -0.027 -0.059 0.248 101 N C -2.154 173.359 175.510 0.005 0.000 1.063 101 N CA 1.641 54.688 53.050 -0.006 0.000 0.862 101 N CB -1.634 36.843 38.487 -0.016 0.000 1.145 101 N HN 0.271 8.568 8.380 -0.008 0.078 0.581 102 N N -4.419 114.292 118.700 0.018 0.000 2.732 102 N HA 0.185 4.910 4.740 -0.025 0.000 0.259 102 N C -1.343 174.120 175.510 -0.080 0.000 1.402 102 N CA -0.782 52.255 53.050 -0.022 0.000 0.829 102 N CB 2.270 40.751 38.487 -0.009 0.000 1.495 102 N HN -0.655 7.667 8.380 0.063 0.096 0.511 103 G N -2.898 105.849 108.800 -0.088 0.000 2.502 103 G HA2 0.272 4.108 3.960 -0.207 0.000 0.305 103 G HA3 0.272 4.188 3.960 -0.075 0.000 0.305 103 G C 0.272 175.090 174.900 -0.137 0.000 1.190 103 G CA -1.191 43.831 45.100 -0.130 0.000 0.933 103 G HN -0.154 8.357 8.290 -0.055 -0.254 0.503 104 L N 3.012 124.156 121.223 -0.132 0.000 2.034 104 L HA -0.347 3.875 4.340 -0.196 0.000 0.217 104 L C 1.439 178.282 176.870 -0.044 0.000 1.077 104 L CA 3.392 58.193 54.840 -0.064 0.000 0.769 104 L CB 0.078 42.258 42.059 0.202 0.000 0.890 104 L HN 0.048 8.611 8.230 -0.194 -0.449 0.435 105 R N -3.998 116.504 120.500 0.003 0.000 2.103 105 R HA -0.428 3.808 4.340 -0.174 0.000 0.242 105 R C 1.219 177.469 176.300 -0.083 0.000 1.142 105 R CA 2.835 58.881 56.100 -0.089 0.000 0.960 105 R CB -1.261 29.003 30.300 -0.061 0.000 0.858 105 R HN -0.213 8.117 8.270 0.102 0.002 0.439 106 D N -1.996 118.362 120.400 -0.070 0.000 2.312 106 D HA -0.053 4.563 4.640 -0.040 0.000 0.211 106 D C 1.093 177.343 176.300 -0.084 0.000 0.964 106 D CA 1.416 55.379 54.000 -0.061 0.000 0.877 106 D CB -0.040 40.729 40.800 -0.051 0.000 0.924 106 D HN -0.119 8.094 8.370 -0.063 0.119 0.515 107 L N -3.428 117.706 121.223 -0.148 0.000 2.049 107 L HA -0.179 4.025 4.340 -0.227 0.000 0.203 107 L C 0.443 177.303 176.870 -0.017 0.000 1.074 107 L CA 1.545 56.271 54.840 -0.190 0.000 0.749 107 L CB 0.452 42.287 42.059 -0.375 0.000 0.907 107 L HN -0.244 7.691 8.230 -0.154 0.202 0.439 108 Q N -2.260 117.520 119.800 -0.032 0.000 2.469 108 Q HA -0.246 4.106 4.340 0.020 0.000 0.279 108 Q C 0.128 176.125 176.000 -0.004 0.000 1.097 108 Q CA 0.296 56.092 55.803 -0.011 0.000 0.951 108 Q CB 0.578 29.277 28.738 -0.065 0.000 1.297 108 Q HN -0.639 7.590 8.270 -0.068 0.000 0.465 109 N N 0.324 119.026 118.700 0.003 0.000 2.609 109 N HA -0.127 4.628 4.740 0.025 0.000 0.190 109 N C 0.369 175.878 175.510 -0.002 0.000 1.157 109 N CA 1.039 54.096 53.050 0.011 0.000 0.918 109 N CB -0.379 38.115 38.487 0.012 0.000 0.978 109 N HN 0.232 8.612 8.380 0.000 0.000 0.448 110 G N -2.583 106.202 108.800 -0.024 0.000 2.218 110 G HA2 -0.277 3.651 3.960 -0.053 0.000 0.216 110 G HA3 -0.277 3.676 3.960 -0.012 0.000 0.216 110 G C -0.171 174.717 174.900 -0.020 0.000 0.994 110 G CA 0.176 45.259 45.100 -0.029 0.000 0.637 110 G HN 0.094 8.273 8.290 -0.037 0.088 0.505 111 R N -0.147 120.346 120.500 -0.011 0.000 1.799 111 R HA 0.146 4.495 4.340 0.016 0.000 0.150 111 R C 0.289 176.592 176.300 0.004 0.000 1.953 111 R CA 0.130 56.234 56.100 0.006 0.000 1.598 111 R CB -0.116 30.191 30.300 0.012 0.000 1.119 111 R HN -0.039 8.151 8.270 -0.011 0.073 0.479 112 D N -0.559 119.845 120.400 0.008 0.000 2.314 112 D HA -0.021 4.639 4.640 0.033 0.000 0.252 112 D C -0.619 175.669 176.300 -0.019 0.000 1.295 112 D CA 0.673 54.682 54.000 0.014 0.000 0.995 112 D CB 0.916 41.729 40.800 0.021 0.000 1.125 112 D HN -0.203 8.173 8.370 0.011 0.000 0.537 113 E N -3.986 116.207 120.200 -0.011 0.000 2.606 113 E HA 0.287 4.801 4.350 -0.099 -0.223 0.224 113 E C -0.995 175.605 176.600 0.001 0.000 0.930 113 E CA -0.352 56.013 56.400 -0.057 0.000 1.125 113 E CB 1.599 31.244 29.700 -0.091 0.000 1.123 113 E HN 0.264 8.636 8.360 0.020 0.000 0.522 114 N N 0.397 119.124 118.700 0.046 0.000 2.497 114 N HA -0.197 4.570 4.740 0.068 0.014 0.268 114 N C -1.216 174.349 175.510 0.090 0.000 1.171 114 N CA 0.697 53.807 53.050 0.100 0.000 0.948 114 N CB 0.564 39.194 38.487 0.237 0.000 1.069 114 N HN -0.491 8.185 8.380 0.052 -0.264 0.460 115 L N 0.768 122.036 121.223 0.075 0.000 2.376 115 L HA 0.275 4.625 4.340 0.016 0.000 0.275 115 L C -1.056 175.829 176.870 0.026 0.000 0.987 115 L CA -0.162 54.704 54.840 0.044 0.000 0.828 115 L CB 2.281 44.384 42.059 0.073 0.000 1.249 115 L HN 0.052 8.324 8.230 0.071 0.000 0.409 116 S N 0.194 115.893 115.700 -0.001 0.000 2.960 116 S HA 0.212 4.713 4.470 0.051 0.000 0.256 116 S C 0.118 174.724 174.600 0.011 0.000 1.017 116 S CA -1.030 57.196 58.200 0.044 0.000 1.144 116 S CB 0.284 63.561 63.200 0.129 0.000 1.109 116 S HN 0.497 8.774 8.310 -0.054 0.000 0.638 117 Q N -1.629 118.041 119.800 -0.216 0.000 2.246 117 Q HA -0.012 4.422 4.340 0.158 0.000 0.222 117 Q C -0.340 175.231 176.000 -0.715 0.000 0.851 117 Q CA 0.846 56.439 55.803 -0.350 0.000 0.945 117 Q CB 0.219 28.479 28.738 -0.797 0.000 1.122 117 Q HN -0.186 7.926 8.270 -0.263 0.000 0.508 118 Y N -2.000 118.053 120.300 -0.412 0.000 2.522 118 Y HA 0.131 4.497 4.550 -0.308 0.000 0.277 118 Y C 1.759 177.418 175.900 -0.400 0.000 1.104 118 Y CA 1.057 58.950 58.100 -0.345 0.000 1.260 118 Y CB 1.241 39.605 38.460 -0.160 0.000 1.151 118 Y HN -0.388 7.704 8.280 -0.239 0.045 0.539 119 G N -1.262 107.436 108.800 -0.170 0.000 5.045 119 G HA2 -0.514 3.515 3.960 0.114 0.000 0.229 119 G HA3 -0.514 3.472 3.960 0.042 0.000 0.229 119 G C -0.866 174.125 174.900 0.151 0.000 1.440 119 G CA 0.266 45.383 45.100 0.028 0.000 0.936 119 G HN 0.036 8.244 8.290 -0.138 0.000 0.690 120 I N 0.383 121.060 120.570 0.178 0.000 6.833 120 I HA -0.456 3.835 4.170 0.202 0.000 0.126 120 I C -1.140 175.101 176.117 0.206 0.000 1.810 120 I CA 0.171 61.579 61.300 0.181 0.000 2.119 120 I CB -1.694 36.369 38.000 0.105 0.000 3.512 120 I HN -0.486 7.793 8.210 0.193 0.047 0.194 121 V N 1.221 121.252 119.914 0.194 0.000 2.529 121 V HA -0.159 4.203 4.120 0.073 -0.198 0.292 121 V C 0.101 176.231 176.094 0.060 0.000 1.028 121 V CA 1.500 63.844 62.300 0.075 0.000 1.074 121 V CB -0.538 31.268 31.823 -0.028 0.000 0.958 121 V HN -0.185 8.151 8.190 0.243 0.000 0.481 122 C N 6.830 126.136 119.300 0.010 0.000 3.241 122 C HA 0.308 4.852 4.460 -0.034 -0.104 0.312 122 C C -2.338 172.474 174.990 -0.297 0.000 1.350 122 C CA -1.647 57.328 59.018 -0.071 0.000 1.415 122 C CB 4.898 32.649 27.740 0.018 0.000 1.770 122 C HN 0.237 8.478 8.230 0.018 0.000 0.466 123 K N 1.097 121.269 120.400 -0.379 0.000 2.118 123 K HA 0.393 3.989 4.320 -1.207 0.000 0.254 123 K C -2.090 174.148 176.600 -0.603 0.000 0.961 123 K CA -1.680 54.101 56.287 -0.843 0.000 0.876 123 K CB 2.756 34.725 32.500 -0.885 0.000 1.077 123 K HN 0.425 8.537 8.250 -0.230 0.000 0.440 124 M N 1.374 120.584 119.600 -0.649 0.000 2.325 124 M HA 0.205 4.510 4.480 -0.293 0.000 0.285 124 M C -2.166 173.958 176.300 -0.292 0.000 1.119 124 M CA -0.074 54.995 55.300 -0.385 0.000 0.959 124 M CB 4.057 36.423 32.600 -0.390 0.000 1.737 124 M HN -0.294 7.478 8.290 -0.864 0.000 0.486 125 N N 3.559 122.150 118.700 -0.180 0.000 2.458 125 N HA 0.221 5.052 4.740 -0.096 -0.149 0.270 125 N C -1.141 174.339 175.510 -0.050 0.000 1.102 125 N CA 0.645 53.637 53.050 -0.096 0.000 0.967 125 N CB 0.880 39.330 38.487 -0.062 0.000 1.078 125 N HN 0.338 8.622 8.380 -0.160 0.000 0.471 126 I N 3.680 124.243 120.570 -0.012 0.000 2.603 126 I HA 0.474 4.783 4.170 0.024 -0.125 0.300 126 I C -1.252 174.918 176.117 0.088 0.000 1.017 126 I CA -1.357 59.962 61.300 0.032 0.000 1.098 126 I CB 4.487 42.510 38.000 0.038 0.000 1.279 126 I HN 1.296 9.373 8.210 -0.015 0.124 0.437 127 K N 6.372 126.833 120.400 0.102 0.000 2.264 127 K HA 0.389 5.011 4.320 0.237 -0.160 0.277 127 K C -0.282 176.377 176.600 0.099 0.000 1.067 127 K CA -0.779 55.599 56.287 0.152 0.000 0.900 127 K CB 0.695 33.280 32.500 0.141 0.000 1.124 127 K HN -0.059 8.142 8.250 0.080 0.096 0.469 128 V N 1.410 121.367 119.914 0.071 0.000 2.837 128 V HA 0.812 5.181 4.120 0.068 -0.208 0.310 128 V C -1.222 174.889 176.094 0.028 0.000 1.059 128 V CA -2.647 59.683 62.300 0.050 0.000 1.004 128 V CB 1.859 33.701 31.823 0.032 0.000 1.045 128 V HN 0.177 8.405 8.190 0.064 0.000 0.465 129 K N -3.453 116.971 120.400 0.039 0.000 2.685 129 K HA 0.363 4.682 4.320 -0.001 0.000 0.290 129 K C -1.569 175.067 176.600 0.060 0.000 1.018 129 K CA -1.189 55.113 56.287 0.025 0.000 0.860 129 K CB 3.025 35.534 32.500 0.015 0.000 1.498 129 K HN -0.483 7.802 8.250 0.059 0.000 0.390 130 M N 1.106 120.737 119.600 0.052 0.000 2.151 130 M HA 0.451 5.141 4.480 0.091 -0.155 0.349 130 M C -0.511 175.884 176.300 0.158 0.000 1.284 130 M CA -0.508 54.844 55.300 0.087 0.000 1.173 130 M CB -0.583 32.054 32.600 0.061 0.000 1.469 130 M HN 0.784 9.084 8.290 0.018 0.000 0.439 131 Y N 7.857 128.167 120.300 0.018 0.000 2.594 131 Y HA -0.178 4.380 4.550 0.013 0.000 0.344 131 Y C -1.146 174.769 175.900 0.024 0.000 1.185 131 Y CA -1.762 56.351 58.100 0.021 0.000 1.565 131 Y CB -1.273 37.206 38.460 0.032 0.000 1.415 131 Y HN 0.961 9.296 8.280 0.251 0.095 0.488 132 N N 5.129 123.944 118.700 0.192 0.000 2.936 132 N HA -0.419 4.359 4.740 0.063 0.000 0.236 132 N C -0.674 174.823 175.510 -0.022 0.000 0.930 132 N CA 1.168 54.223 53.050 0.008 0.000 0.966 132 N CB -0.061 38.295 38.487 -0.219 0.000 1.090 132 N HN -0.092 8.442 8.380 0.256 0.000 0.592 133 G N -6.215 102.592 108.800 0.011 0.000 2.367 133 G HA2 -0.218 3.763 3.960 0.035 0.000 0.181 133 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.181 133 G C -1.097 173.807 174.900 0.007 0.000 1.000 133 G CA -0.281 44.825 45.100 0.011 0.000 0.693 133 G HN 0.033 8.241 8.290 0.054 0.113 0.480 134 K N 0.315 120.712 120.400 -0.004 0.000 2.123 134 K HA 0.266 4.594 4.320 0.013 0.000 0.248 134 K C -1.340 175.303 176.600 0.072 0.000 0.969 134 K CA -1.315 54.982 56.287 0.017 0.000 0.882 134 K CB 2.356 34.840 32.500 -0.028 0.000 1.080 134 K HN -0.670 7.452 8.250 -0.031 0.109 0.441 135 L N 2.855 124.119 121.223 0.068 0.000 2.433 135 L HA 0.156 4.684 4.340 0.077 -0.142 0.284 135 L C -0.911 176.029 176.870 0.115 0.000 1.120 135 L CA -0.083 54.806 54.840 0.082 0.000 0.879 135 L CB -0.208 41.888 42.059 0.062 0.000 1.232 135 L HN 0.300 8.560 8.230 0.050 0.000 0.454 136 N N 7.246 126.029 118.700 0.138 0.000 2.415 136 N HA 0.105 4.947 4.740 0.170 0.000 0.246 136 N C -1.769 173.808 175.510 0.111 0.000 1.078 136 N CA -0.458 52.682 53.050 0.152 0.000 0.942 136 N CB 1.744 40.332 38.487 0.169 0.000 1.140 136 N HN 1.077 9.412 8.380 0.131 0.123 0.501 137 A N 6.744 129.635 122.820 0.118 0.000 2.288 137 A HA 0.579 5.151 4.320 0.099 -0.193 0.320 137 A C -1.111 176.538 177.584 0.108 0.000 1.217 137 A CA -1.869 50.238 52.037 0.116 0.000 0.840 137 A CB 1.939 21.032 19.000 0.155 0.000 1.179 137 A HN -0.012 8.215 8.150 0.128 0.000 0.504 138 I N -2.506 118.119 120.570 0.092 0.000 3.100 138 I HA 0.363 4.586 4.170 0.088 0.000 0.312 138 I C -1.544 174.613 176.117 0.067 0.000 1.063 138 I CA -2.456 58.895 61.300 0.085 0.000 1.031 138 I CB 2.626 40.675 38.000 0.081 0.000 1.243 138 I HN 0.053 8.207 8.210 0.088 0.109 0.483 139 V N -1.321 118.626 119.914 0.055 0.000 2.357 139 V HA 0.108 4.321 4.120 -0.010 -0.098 0.284 139 V C -1.185 174.915 176.094 0.010 0.000 1.018 139 V CA 0.071 62.375 62.300 0.006 0.000 0.841 139 V CB 1.246 33.050 31.823 -0.033 0.000 0.991 139 V HN 0.377 8.613 8.190 0.076 0.000 0.437 140 R N 6.938 127.432 120.500 -0.011 0.000 2.112 140 R HA 0.003 4.346 4.340 0.005 0.000 0.216 140 R C -0.028 176.259 176.300 -0.021 0.000 1.080 140 R CA 0.751 56.843 56.100 -0.013 0.000 0.996 140 R CB 1.219 31.498 30.300 -0.034 0.000 0.902 140 R HN 1.117 9.246 8.270 -0.023 0.127 0.449 141 E N -3.688 116.483 120.200 -0.049 0.000 2.504 141 E HA 0.115 4.455 4.350 -0.016 0.000 0.235 141 E C -1.599 174.965 176.600 -0.061 0.000 0.827 141 E CA -1.620 54.753 56.400 -0.046 0.000 0.903 141 E CB 2.501 32.159 29.700 -0.069 0.000 1.622 141 E HN -0.570 7.748 8.360 -0.070 0.000 0.392 142 C N -0.353 118.922 119.300 -0.042 0.000 2.273 142 C HA 0.119 4.510 4.460 -0.115 0.000 0.290 142 C C -1.552 173.474 174.990 0.059 0.000 0.877 142 C CA -0.439 58.582 59.018 0.005 0.000 0.660 142 C CB 0.404 28.230 27.740 0.145 0.000 1.576 142 C HN 0.290 8.497 8.230 -0.038 0.000 0.766 143 E N 2.582 122.759 120.200 -0.038 0.000 2.259 143 E HA 0.370 4.710 4.350 -0.016 0.000 0.281 143 E C -2.265 174.318 176.600 -0.028 0.000 1.027 143 E CA -2.879 53.502 56.400 -0.031 0.000 0.838 143 E CB 0.858 30.527 29.700 -0.050 0.000 1.066 143 E HN -0.546 7.754 8.360 -0.100 0.000 0.401 144 P HA -0.036 4.406 4.420 0.037 0.000 0.275 144 P C -1.250 176.057 177.300 0.011 0.000 1.227 144 P CA -0.497 62.610 63.100 0.012 0.000 0.781 144 P CB 0.576 32.277 31.700 0.001 0.000 0.906 145 V N 3.306 123.237 119.914 0.028 0.000 2.468 145 V HA 0.343 4.481 4.120 0.029 0.000 0.256 145 V C -1.491 174.621 176.094 0.029 0.000 0.998 145 V CA -3.603 58.718 62.300 0.034 0.000 1.114 145 V CB 0.093 31.948 31.823 0.054 0.000 1.378 145 V HN 0.200 8.326 8.190 0.043 0.089 0.573 146 P HA 0.049 4.529 4.420 0.100 0.000 0.199 146 P C 0.427 177.593 177.300 -0.224 0.000 1.169 146 P CA 2.073 65.205 63.100 0.053 0.000 0.900 146 P CB 0.805 32.589 31.700 0.139 0.000 0.733 147 H N -6.174 112.932 119.070 0.060 0.000 2.612 147 H HA 0.110 4.696 4.556 0.050 0.000 0.193 147 H C 1.582 176.954 175.328 0.074 0.000 0.875 147 H CA 1.374 57.467 56.048 0.075 0.000 0.923 147 H CB 1.783 31.634 29.762 0.150 0.000 1.170 147 H HN -0.193 8.186 8.280 0.164 0.000 0.459 148 S N -0.367 115.433 115.700 0.167 0.000 2.603 148 S HA -0.089 4.444 4.470 0.106 0.000 0.220 148 S C 0.121 174.752 174.600 0.051 0.000 0.967 148 S CA 1.126 59.380 58.200 0.091 0.000 0.920 148 S CB -0.521 62.705 63.200 0.044 0.000 0.773 148 S HN 0.042 8.451 8.310 0.165 0.000 0.529 149 Q N -2.483 117.345 119.800 0.046 0.000 2.404 149 Q HA -0.040 4.314 4.340 0.024 0.000 0.262 149 Q C 0.888 176.908 176.000 0.034 0.000 0.846 149 Q CA 1.282 57.102 55.803 0.029 0.000 0.978 149 Q CB 0.475 29.222 28.738 0.016 0.000 1.156 149 Q HN -0.332 7.886 8.270 0.057 0.086 0.548 150 I N 2.304 122.894 120.570 0.032 0.000 2.145 150 I HA -0.477 3.727 4.170 0.056 0.000 0.244 150 I C 0.909 177.052 176.117 0.044 0.000 1.075 150 I CA 3.337 64.660 61.300 0.038 0.000 1.332 150 I CB 0.033 38.036 38.000 0.005 0.000 1.033 150 I HN -0.103 8.122 8.210 0.024 0.000 0.410 151 S N -0.999 114.727 115.700 0.043 0.000 2.603 151 S HA -0.082 4.410 4.470 0.036 0.000 0.229 151 S C 0.549 175.169 174.600 0.033 0.000 0.972 151 S CA 2.171 60.395 58.200 0.040 0.000 0.935 151 S CB -0.605 62.623 63.200 0.046 0.000 0.769 151 S HN 0.093 8.434 8.310 0.049 -0.001 0.536 152 S N -0.504 115.216 115.700 0.033 0.000 2.540 152 S HA 0.151 4.635 4.470 0.024 0.000 0.222 152 S C 0.343 174.961 174.600 0.030 0.000 1.008 152 S CA 0.512 58.728 58.200 0.027 0.000 0.939 152 S CB 1.101 64.314 63.200 0.021 0.000 0.865 152 S HN 0.266 8.352 8.310 0.037 0.246 0.499 153 I N -0.558 120.037 120.570 0.042 0.000 3.883 153 I HA 0.098 4.295 4.170 0.044 0.000 0.305 153 I C -0.813 175.354 176.117 0.082 0.000 1.247 153 I CA 0.385 61.720 61.300 0.058 0.000 1.350 153 I CB 1.595 39.633 38.000 0.064 0.000 1.194 153 I HN -0.262 7.846 8.210 0.045 0.129 0.441 154 A N -2.127 120.737 122.820 0.072 0.000 2.486 154 A HA 0.362 4.715 4.320 0.056 0.000 0.289 154 A C -2.663 174.932 177.584 0.019 0.000 1.176 154 A CA -0.864 51.203 52.037 0.050 0.000 0.757 154 A CB 2.566 21.591 19.000 0.042 0.000 1.337 154 A HN 0.038 8.114 8.150 0.062 0.111 0.423 155 S N -4.511 111.186 115.700 -0.004 0.000 6.009 155 S HA 0.103 4.574 4.470 0.000 0.000 0.104 155 S C -2.141 172.449 174.600 -0.017 0.000 1.171 155 S CA 1.318 59.516 58.200 -0.004 0.000 1.364 155 S CB 0.041 63.245 63.200 0.006 0.000 1.747 155 S HN -0.032 8.264 8.310 -0.023 0.000 0.498 156 P HA 0.189 4.597 4.420 -0.020 0.000 0.273 156 P C 0.029 177.308 177.300 -0.035 0.000 1.319 156 P CA 0.423 63.510 63.100 -0.021 0.000 0.885 156 P CB -0.678 31.015 31.700 -0.011 0.000 1.015 157 S N 3.012 118.684 115.700 -0.046 0.000 1.637 157 S HA -0.622 3.790 4.470 -0.097 0.000 0.232 157 S C 1.430 175.996 174.600 -0.057 0.000 0.808 157 S CA 3.284 61.448 58.200 -0.060 0.000 1.437 157 S CB -1.826 61.360 63.200 -0.023 0.000 1.838 157 S HN 0.369 8.652 8.310 -0.044 0.000 0.525 158 Q N 0.585 120.336 119.800 -0.082 0.000 2.248 158 Q HA -0.314 3.888 4.340 -0.229 0.000 0.208 158 Q C 1.838 177.746 176.000 -0.154 0.000 0.984 158 Q CA 3.127 58.801 55.803 -0.214 0.000 0.875 158 Q CB -0.157 28.377 28.738 -0.340 0.000 0.910 158 Q HN 0.451 8.591 8.270 -0.077 0.083 0.433 159 C N -1.521 117.731 119.300 -0.079 0.000 2.462 159 C HA -0.343 4.106 4.460 -0.017 0.000 0.278 159 C C 1.784 176.768 174.990 -0.009 0.000 1.253 159 C CA 3.662 62.663 59.018 -0.029 0.000 1.713 159 C CB -0.866 26.866 27.740 -0.013 0.000 2.049 159 C HN -0.152 8.008 8.230 -0.070 0.029 0.477 160 E N 0.618 120.793 120.200 -0.043 0.000 2.077 160 E HA -0.401 3.940 4.350 -0.015 0.000 0.193 160 E C 2.066 178.638 176.600 -0.046 0.000 0.989 160 E CA 3.410 59.776 56.400 -0.058 0.000 0.800 160 E CB -0.810 28.814 29.700 -0.127 0.000 0.746 160 E HN -0.259 8.063 8.360 -0.063 0.000 0.452 161 H N 0.430 119.450 119.070 -0.084 0.000 2.353 161 H HA -0.263 4.245 4.556 -0.079 0.000 0.298 161 H C 2.800 178.085 175.328 -0.073 0.000 1.103 161 H CA 3.217 59.204 56.048 -0.103 0.000 1.293 161 H CB -0.043 29.608 29.762 -0.186 0.000 1.372 161 H HN -0.246 7.986 8.280 -0.080 0.000 0.501 162 L N -1.547 119.709 121.223 0.056 0.000 2.056 162 L HA -0.342 3.960 4.340 -0.064 0.000 0.207 162 L C 1.992 179.019 176.870 0.261 0.000 1.078 162 L CA 2.928 57.802 54.840 0.056 0.000 0.749 162 L CB -0.159 41.937 42.059 0.062 0.000 0.901 162 L HN -0.112 8.035 8.230 0.018 0.094 0.433 163 R N -2.167 118.491 120.500 0.263 0.000 2.096 163 R HA -0.347 4.335 4.340 0.570 0.000 0.235 163 R C 2.687 179.139 176.300 0.254 0.000 1.127 163 R CA 2.380 58.683 56.100 0.339 0.000 0.968 163 R CB -0.356 30.031 30.300 0.145 0.000 0.861 163 R HN -0.136 8.144 8.270 0.151 0.081 0.440 164 L N -1.859 119.427 121.223 0.104 0.000 2.201 164 L HA -0.277 4.035 4.340 -0.047 0.000 0.212 164 L C 1.582 178.413 176.870 -0.065 0.000 1.105 164 L CA 2.552 57.375 54.840 -0.029 0.000 0.775 164 L CB -0.324 41.676 42.059 -0.099 0.000 0.913 164 L HN 0.542 8.705 8.230 0.083 0.117 0.440 165 F N 0.639 120.495 119.950 -0.156 0.000 2.113 165 F HA -0.388 4.019 4.527 -0.200 0.000 0.297 165 F C 0.947 176.662 175.800 -0.142 0.000 1.103 165 F CA 3.492 61.364 58.000 -0.213 0.000 1.248 165 F CB -0.033 38.784 39.000 -0.305 0.000 0.999 165 F HN -0.971 7.301 8.300 0.205 0.150 0.475 166 Y N -2.317 118.139 120.300 0.261 0.000 2.207 166 Y HA -0.568 4.070 4.550 0.146 0.000 0.287 166 Y C 2.386 178.342 175.900 0.094 0.000 1.156 166 Y CA 4.071 62.283 58.100 0.188 0.000 1.182 166 Y CB -0.829 37.788 38.460 0.262 0.000 0.979 166 Y HN -0.685 7.771 8.280 0.292 0.000 0.521 167 Q N -2.348 117.525 119.800 0.122 0.000 2.084 167 Q HA -0.392 3.934 4.340 -0.023 0.000 0.202 167 Q C 2.383 178.398 176.000 0.025 0.000 0.978 167 Q CA 3.148 58.964 55.803 0.021 0.000 0.844 167 Q CB -0.532 28.184 28.738 -0.038 0.000 0.898 167 Q HN -0.618 7.720 8.270 0.134 0.013 0.426 168 R N -0.294 120.150 120.500 -0.093 0.000 2.062 168 R HA -0.261 4.074 4.340 -0.008 0.000 0.231 168 R C 1.983 178.258 176.300 -0.042 0.000 1.136 168 R CA 2.744 58.801 56.100 -0.072 0.000 0.948 168 R CB -0.227 29.983 30.300 -0.150 0.000 0.845 168 R HN -0.642 7.524 8.270 -0.173 0.000 0.430 169 A N -1.082 121.628 122.820 -0.184 0.000 1.948 169 A HA -0.249 4.000 4.320 -0.118 0.000 0.220 169 A C 2.820 180.388 177.584 -0.028 0.000 1.177 169 A CA 2.914 54.863 52.037 -0.147 0.000 0.636 169 A CB -1.147 17.665 19.000 -0.314 0.000 0.815 169 A HN -0.180 7.732 8.150 -0.397 0.000 0.449 170 F N -3.034 116.873 119.950 -0.072 0.000 2.126 170 F HA -0.412 4.086 4.527 -0.048 0.000 0.299 170 F C 0.848 176.628 175.800 -0.034 0.000 1.096 170 F CA 4.507 62.487 58.000 -0.034 0.000 1.255 170 F CB 0.218 39.225 39.000 0.012 0.000 0.997 170 F HN -0.456 8.042 8.300 0.351 0.012 0.479 171 K N -4.423 116.071 120.400 0.157 0.000 2.308 171 K HA 0.035 4.563 4.320 0.084 -0.158 0.197 171 K C 2.023 178.652 176.600 0.047 0.000 1.049 171 K CA 0.879 57.219 56.287 0.089 0.000 0.991 171 K CB 0.553 33.109 32.500 0.094 0.000 0.836 171 K HN -0.591 7.672 8.250 0.172 0.090 0.500 172 R N -0.796 119.728 120.500 0.039 0.000 2.075 172 R HA -0.183 4.185 4.340 0.047 0.000 0.220 172 R C 1.712 178.022 176.300 0.015 0.000 1.118 172 R CA 2.282 58.404 56.100 0.038 0.000 0.986 172 R CB 0.230 30.563 30.300 0.055 0.000 0.884 172 R HN 0.242 8.420 8.270 0.042 0.117 0.439 173 I N -1.985 118.575 120.570 -0.016 0.000 2.623 173 I HA -0.300 3.883 4.170 0.023 0.000 0.261 173 I C -0.368 175.727 176.117 -0.036 0.000 1.204 173 I CA 1.106 62.391 61.300 -0.024 0.000 1.444 173 I CB 0.508 38.457 38.000 -0.085 0.000 1.094 173 I HN -0.385 7.685 8.210 -0.032 0.121 0.451 174 G N -2.982 105.791 108.800 -0.044 0.000 3.444 174 G HA2 -0.207 3.748 3.960 -0.009 0.000 0.685 174 G HA3 -0.207 3.744 3.960 -0.015 0.000 0.685 174 G C -0.246 174.610 174.900 -0.073 0.000 1.145 174 G CA -0.759 44.322 45.100 -0.032 0.000 0.973 174 G HN -0.633 7.572 8.290 -0.039 0.062 0.525 175 E N 3.939 124.112 120.200 -0.045 0.000 2.204 175 E HA -0.381 3.909 4.350 -0.100 0.000 0.194 175 E C 1.276 177.848 176.600 -0.047 0.000 0.989 175 E CA 2.800 59.168 56.400 -0.053 0.000 0.824 175 E CB 0.057 29.755 29.700 -0.004 0.000 0.756 175 E HN 0.423 8.773 8.360 -0.017 0.000 0.477 176 S N -0.763 114.920 115.700 -0.028 0.000 2.402 176 S HA -0.197 4.259 4.470 -0.023 0.000 0.229 176 S C 1.219 175.807 174.600 -0.020 0.000 1.021 176 S CA 2.476 60.664 58.200 -0.021 0.000 0.974 176 S CB -0.454 62.740 63.200 -0.010 0.000 0.800 176 S HN 0.010 8.286 8.310 -0.020 0.022 0.484 177 A N 1.573 124.382 122.820 -0.017 0.000 1.872 177 A HA -0.199 4.159 4.320 0.063 0.000 0.214 177 A C 2.681 180.285 177.584 0.034 0.000 1.187 177 A CA 2.680 54.736 52.037 0.032 0.000 0.614 177 A CB -0.399 18.619 19.000 0.029 0.000 0.826 177 A HN -0.817 7.206 8.150 -0.029 0.110 0.442 178 I N -2.734 117.776 120.570 -0.099 0.000 2.502 178 I HA -0.513 3.556 4.170 -0.168 0.000 0.258 178 I C 1.042 177.210 176.117 0.086 0.000 1.172 178 I CA 3.232 64.458 61.300 -0.123 0.000 1.430 178 I CB -0.295 37.526 38.000 -0.298 0.000 1.086 178 I HN -0.442 7.675 8.210 -0.155 0.000 0.440 179 S N -1.410 114.321 115.700 0.052 0.000 2.436 179 S HA -0.192 4.370 4.470 0.153 0.000 0.228 179 S C 2.559 177.231 174.600 0.120 0.000 1.014 179 S CA 2.663 60.922 58.200 0.097 0.000 0.950 179 S CB -0.192 63.004 63.200 -0.008 0.000 0.784 179 S HN -0.735 7.404 8.310 -0.001 0.169 0.504 180 R N 1.383 121.819 120.500 -0.106 0.000 2.115 180 R HA -0.186 3.904 4.340 -0.417 0.000 0.230 180 R C 0.853 176.588 176.300 -0.941 0.000 1.111 180 R CA 1.739 57.481 56.100 -0.597 0.000 0.976 180 R CB 0.061 29.873 30.300 -0.813 0.000 0.870 180 R HN 0.199 8.286 8.270 -0.058 0.148 0.445 181 Y N -5.889 114.448 120.300 0.061 0.000 2.720 181 Y HA 0.341 4.728 4.550 -0.272 0.000 0.264 181 Y C -1.058 174.771 175.900 -0.118 0.000 0.989 181 Y CA -2.507 55.525 58.100 -0.114 0.000 1.100 181 Y CB -1.330 37.093 38.460 -0.062 0.000 1.196 181 Y HN -0.658 7.661 8.280 0.092 0.017 0.631 182 F N -0.830 119.202 119.950 0.137 0.000 2.087 182 F HA -0.374 4.289 4.527 0.121 -0.063 0.299 182 F C 1.059 176.976 175.800 0.195 0.000 1.100 182 F CA 3.372 61.452 58.000 0.133 0.000 1.226 182 F CB -0.728 38.307 39.000 0.058 0.000 0.983 182 F HN -0.878 7.659 8.300 0.395 0.000 0.479 183 E N 0.589 120.351 120.200 -0.730 0.000 2.106 183 E HA -0.424 3.983 4.350 0.096 0.000 0.192 183 E C 1.902 178.499 176.600 -0.006 0.000 0.984 183 E CA 2.844 59.108 56.400 -0.227 0.000 0.806 183 E CB -1.213 28.217 29.700 -0.451 0.000 0.750 183 E HN 0.461 7.265 8.360 -2.593 0.000 0.458 184 E N -0.217 119.968 120.200 -0.024 0.000 2.152 184 E HA -0.259 4.256 4.350 0.276 0.000 0.192 184 E C 1.777 178.528 176.600 0.251 0.000 0.983 184 E CA 2.377 58.882 56.400 0.175 0.000 0.818 184 E CB -0.239 29.490 29.700 0.049 0.000 0.758 184 E HN -0.353 7.802 8.360 -0.203 0.083 0.467 185 Y N -1.698 118.685 120.300 0.137 0.000 2.269 185 Y HA -0.157 4.606 4.550 0.213 -0.085 0.294 185 Y C 1.278 177.306 175.900 0.214 0.000 1.120 185 Y CA 2.677 60.881 58.100 0.172 0.000 1.159 185 Y CB 1.210 39.728 38.460 0.098 0.000 1.024 185 Y HN -0.007 8.361 8.280 0.319 0.103 0.532 186 R N -3.435 117.305 120.500 0.402 0.000 2.341 186 R HA -0.323 4.269 4.340 0.420 0.000 0.213 186 R C 0.490 176.992 176.300 0.336 0.000 1.082 186 R CA 1.527 57.851 56.100 0.374 0.000 1.017 186 R CB -0.427 30.073 30.300 0.333 0.000 0.860 186 R HN 0.320 8.699 8.270 0.364 0.110 0.473 187 R N -0.596 120.088 120.500 0.307 0.000 3.738 187 R HA -0.434 4.052 4.340 0.244 0.000 0.392 187 R C -0.188 176.363 176.300 0.419 0.000 0.449 187 R CA 2.684 58.960 56.100 0.293 0.000 0.983 187 R CB -1.461 29.001 30.300 0.270 0.000 0.754 187 R HN -0.513 7.857 8.270 0.302 0.081 0.469 188 F N -1.402 118.603 119.950 0.091 0.000 2.814 188 F HA 0.223 4.773 4.527 0.039 0.000 0.326 188 F C -0.887 174.962 175.800 0.082 0.000 1.159 188 F CA -1.160 56.873 58.000 0.054 0.000 1.234 188 F CB 1.676 40.683 39.000 0.012 0.000 1.016 188 F HN -0.469 8.054 8.300 0.372 0.000 0.510 189 F N 1.977 121.922 119.950 -0.008 0.000 2.483 189 F HA 0.542 5.013 4.527 -0.094 0.000 0.329 189 F C -2.033 173.774 175.800 0.012 0.000 1.064 189 F CA -2.511 55.462 58.000 -0.044 0.000 0.986 189 F CB 2.373 41.358 39.000 -0.025 0.000 1.218 189 F HN 0.603 8.996 8.300 0.373 0.131 0.484 190 P HA 0.103 4.526 4.420 0.006 0.000 0.246 190 P C -1.146 176.255 177.300 0.169 0.000 1.686 190 P CA -0.679 62.430 63.100 0.015 0.000 0.867 190 P CB -1.332 30.307 31.700 -0.102 0.000 1.733 191 I N 0.000 120.763 120.570 0.322 0.000 2.984 191 I HA 0.000 4.499 4.170 0.548 0.000 0.288 191 I CA 0.000 61.544 61.300 0.407 0.000 1.566 191 I CB 0.000 38.169 38.000 0.281 0.000 1.214 191 I HN 0.000 8.314 8.210 0.364 0.115 0.494