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 2jmz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNTGHDGALA YDEPIYLSDG NIINIGEFVD KFFKKYKNSI KKEDNGFGWI DATA SEQUENCE DIGNENIYIK SFNKLSLIIE DKRILRVWRK KYSGKLIKIT TKNRREITLT DATA SEQUENCE HDHPVYISKT GEVLEINAEM VKVGDYIYIP KNNTINLDEV IKVETVDYNG DATA SEQUENCE HIYDLTVEDN HTYIAGKNEG FAVSASSGTL HHHHHH 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 1 M HA 0.000 4.437 4.480 -0.071 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.036 0.000 1.302 2 N N 2.606 121.279 118.700 -0.046 0.000 2.379 2 N HA 0.370 5.088 4.740 -0.038 0.000 0.260 2 N C 0.008 175.518 175.510 -0.000 0.000 1.254 2 N CA -0.122 52.908 53.050 -0.033 0.000 0.958 2 N CB 0.892 39.348 38.487 -0.053 0.000 1.208 2 N HN 0.134 8.486 8.380 -0.046 0.000 0.532 3 T N -0.697 113.863 114.554 0.009 0.000 2.755 3 T HA 0.024 4.389 4.350 0.024 0.000 0.251 3 T C 0.465 175.191 174.700 0.043 0.000 1.044 3 T CA 1.458 63.573 62.100 0.026 0.000 1.154 3 T CB -0.420 68.463 68.868 0.026 0.000 0.866 3 T HN 0.275 8.515 8.240 0.001 0.000 0.416 4 G N -1.015 107.816 108.800 0.053 0.000 2.481 4 G HA2 -0.020 3.978 3.960 0.063 0.000 0.251 4 G HA3 -0.020 3.985 3.960 0.076 0.000 0.251 4 G C -1.595 173.365 174.900 0.100 0.000 1.492 4 G CA -0.586 44.555 45.100 0.068 0.000 1.060 4 G HN -0.436 7.880 8.290 0.042 0.000 0.553 5 H N 0.210 119.245 119.070 -0.059 0.000 1.455 5 H HA -0.554 3.926 4.556 -0.127 0.000 0.091 5 H C -1.433 173.831 175.328 -0.107 0.000 1.628 5 H CA 1.122 57.107 56.048 -0.104 0.000 1.900 5 H CB 0.606 30.301 29.762 -0.113 0.000 2.255 5 H HN 0.119 8.457 8.280 0.097 0.000 0.961 6 D N -1.534 118.579 120.400 -0.478 0.000 3.620 6 D HA -0.257 4.085 4.640 -0.497 0.000 0.237 6 D C -0.643 175.508 176.300 -0.249 0.000 1.111 6 D CA 1.201 54.988 54.000 -0.355 0.000 1.070 6 D CB -0.177 40.533 40.800 -0.149 0.000 0.891 6 D HN 0.099 7.720 8.370 -1.247 0.000 0.412 7 G N -2.374 106.221 108.800 -0.340 0.000 2.531 7 G HA2 0.211 4.108 3.960 -0.104 0.000 0.281 7 G HA3 0.211 3.918 3.960 -0.421 0.000 0.281 7 G C -2.244 172.634 174.900 -0.036 0.000 1.382 7 G CA -0.422 44.554 45.100 -0.207 0.000 1.045 7 G HN 0.237 8.236 8.290 -0.486 0.000 0.533 8 A N -2.575 120.305 122.820 0.101 0.000 2.490 8 A HA 0.022 4.603 4.320 0.163 -0.163 0.292 8 A C -2.325 175.324 177.584 0.108 0.000 1.047 8 A CA -0.036 52.079 52.037 0.130 0.000 0.632 8 A CB 1.750 20.807 19.000 0.095 0.000 1.323 8 A HN -0.260 8.035 8.150 0.241 0.000 0.448 9 L N -1.904 119.369 121.223 0.082 0.000 2.322 9 L HA 0.531 4.923 4.340 -0.106 -0.115 0.269 9 L C -0.272 176.586 176.870 -0.021 0.000 1.012 9 L CA -1.560 53.274 54.840 -0.010 0.000 0.815 9 L CB 4.027 46.102 42.059 0.025 0.000 1.295 9 L HN 0.481 8.796 8.230 0.143 0.000 0.438 10 A N 0.539 123.264 122.820 -0.158 0.000 2.406 10 A HA 0.080 4.328 4.320 -0.120 0.000 0.243 10 A C 0.368 178.028 177.584 0.125 0.000 1.082 10 A CA -0.021 51.906 52.037 -0.183 0.000 0.786 10 A CB 0.769 19.356 19.000 -0.688 0.000 1.029 10 A HN -0.184 7.837 8.150 -0.215 0.000 0.495 11 Y N 0.124 120.597 120.300 0.287 0.000 2.193 11 Y HA -0.371 4.370 4.550 0.319 0.000 0.285 11 Y C -0.183 175.768 175.900 0.085 0.000 1.166 11 Y CA 3.708 61.993 58.100 0.308 0.000 1.181 11 Y CB 0.438 39.165 38.460 0.446 0.000 0.976 11 Y HN 0.498 9.179 8.280 0.668 0.000 0.520 12 D N -6.019 114.448 120.400 0.112 0.000 2.643 12 D HA 0.020 4.559 4.640 -0.169 0.000 0.244 12 D C -0.759 175.513 176.300 -0.046 0.000 1.257 12 D CA -1.557 52.457 54.000 0.024 0.000 0.831 12 D CB -0.672 40.279 40.800 0.252 0.000 1.043 12 D HN -0.542 7.966 8.370 0.273 0.026 0.488 13 E N 1.049 121.189 120.200 -0.100 0.000 2.194 13 E HA 0.355 4.675 4.350 -0.050 0.000 0.284 13 E C -1.985 174.516 176.600 -0.166 0.000 1.035 13 E CA -2.410 53.936 56.400 -0.091 0.000 0.836 13 E CB 0.428 30.086 29.700 -0.070 0.000 1.070 13 E HN -0.699 7.506 8.360 -0.130 0.077 0.401 14 P HA 0.284 4.705 4.420 -0.407 -0.245 0.270 14 P C 0.043 177.094 177.300 -0.414 0.000 1.223 14 P CA 0.140 62.982 63.100 -0.430 0.000 0.785 14 P CB 0.723 32.014 31.700 -0.681 0.000 0.923 15 I N -6.536 113.723 120.570 -0.520 0.000 4.439 15 I HA 0.376 4.524 4.170 -0.037 0.000 0.331 15 I C -1.535 174.526 176.117 -0.093 0.000 1.345 15 I CA -0.763 60.383 61.300 -0.258 0.000 1.193 15 I CB 1.771 39.529 38.000 -0.403 0.000 1.221 15 I HN -0.583 7.273 8.210 -0.590 0.000 0.429 16 Y N -2.487 117.750 120.300 -0.104 0.000 2.945 16 Y HA -0.385 4.139 4.550 -0.042 0.000 0.161 16 Y C -0.637 175.244 175.900 -0.032 0.000 1.672 16 Y CA -0.213 57.860 58.100 -0.045 0.000 0.920 16 Y CB -2.193 36.267 38.460 0.000 0.000 1.489 16 Y HN -0.021 7.729 8.280 -0.884 0.000 0.354 17 L N -0.278 120.953 121.223 0.014 0.000 2.489 17 L HA -0.376 4.070 4.340 0.065 -0.067 0.285 17 L C 2.098 179.042 176.870 0.124 0.000 1.259 17 L CA 1.640 56.517 54.840 0.063 0.000 0.828 17 L CB -0.519 41.571 42.059 0.052 0.000 1.094 17 L HN -0.022 8.157 8.230 -0.086 0.000 0.524 18 S N -0.560 115.232 115.700 0.153 0.000 2.584 18 S HA -0.246 4.296 4.470 0.119 0.000 0.240 18 S C -0.016 174.644 174.600 0.100 0.000 0.975 18 S CA 2.524 60.804 58.200 0.134 0.000 0.949 18 S CB 0.075 63.371 63.200 0.161 0.000 0.761 18 S HN 0.560 8.862 8.310 0.188 0.121 0.536 19 D N -3.447 117.013 120.400 0.101 0.000 2.479 19 D HA 0.154 4.834 4.640 0.066 0.000 0.221 19 D C -0.498 175.841 176.300 0.065 0.000 1.104 19 D CA 0.270 54.317 54.000 0.078 0.000 0.849 19 D CB 1.859 42.712 40.800 0.088 0.000 1.072 19 D HN -0.240 8.088 8.370 0.111 0.109 0.502 20 G N -0.945 107.896 108.800 0.068 0.000 2.203 20 G HA2 -0.317 3.699 3.960 0.093 0.000 0.231 20 G HA3 -0.317 3.684 3.960 0.069 0.000 0.231 20 G C 0.175 175.083 174.900 0.012 0.000 1.058 20 G CA 0.420 45.557 45.100 0.062 0.000 0.781 20 G HN -0.119 8.079 8.290 0.079 0.139 0.496 21 N N -2.118 116.572 118.700 -0.015 0.000 2.453 21 N HA -0.243 4.494 4.740 -0.004 0.000 0.183 21 N C -0.401 175.061 175.510 -0.081 0.000 1.041 21 N CA 1.289 54.321 53.050 -0.030 0.000 0.900 21 N CB 0.245 38.725 38.487 -0.010 0.000 0.961 21 N HN -0.005 8.373 8.380 -0.003 0.000 0.443 22 I N -3.053 117.425 120.570 -0.153 0.000 4.981 22 I HA -0.289 3.646 4.170 -0.391 0.000 0.126 22 I C -1.526 174.478 176.117 -0.190 0.000 1.245 22 I CA 0.277 61.439 61.300 -0.230 0.000 2.651 22 I CB -1.890 36.016 38.000 -0.157 0.000 2.094 22 I HN -0.066 7.990 8.210 -0.161 0.058 0.323 23 I N 2.041 122.475 120.570 -0.227 0.000 2.607 23 I HA 0.080 4.164 4.170 -0.143 0.000 0.305 23 I C -0.962 174.995 176.117 -0.267 0.000 0.995 23 I CA -1.459 59.725 61.300 -0.192 0.000 1.148 23 I CB 2.458 40.380 38.000 -0.130 0.000 1.323 23 I HN -0.520 7.517 8.210 -0.288 0.000 0.461 24 N N 5.412 123.958 118.700 -0.257 0.000 2.447 24 N HA -0.098 4.435 4.740 -0.346 0.000 0.263 24 N C 1.023 176.272 175.510 -0.434 0.000 1.226 24 N CA 0.446 53.268 53.050 -0.379 0.000 0.906 24 N CB -0.230 37.955 38.487 -0.503 0.000 1.060 24 N HN 0.399 8.660 8.380 -0.198 0.000 0.468 25 I N 5.407 125.716 120.570 -0.435 0.000 2.194 25 I HA -0.429 3.564 4.170 -0.294 0.000 0.246 25 I C 0.738 176.475 176.117 -0.633 0.000 1.093 25 I CA 3.556 64.625 61.300 -0.385 0.000 1.355 25 I CB 0.229 38.075 38.000 -0.256 0.000 1.046 25 I HN 0.205 8.187 8.210 -0.379 0.000 0.413 26 G N -2.119 106.009 108.800 -1.120 0.000 2.402 26 G HA2 -0.369 1.807 3.960 -2.974 0.000 0.216 26 G HA3 -0.369 2.599 3.960 -1.654 0.000 0.216 26 G C 0.629 175.042 174.900 -0.811 0.000 1.162 26 G CA 2.351 46.451 45.100 -1.667 0.000 0.777 26 G HN 0.029 7.672 8.290 -1.069 0.005 0.539 27 E N 2.998 122.838 120.200 -0.600 0.000 2.072 27 E HA -0.276 4.000 4.350 -0.122 0.000 0.191 27 E C 1.583 178.043 176.600 -0.232 0.000 0.985 27 E CA 2.337 58.589 56.400 -0.248 0.000 0.801 27 E CB -0.488 29.115 29.700 -0.161 0.000 0.750 27 E HN -0.679 7.177 8.360 -0.840 0.000 0.452 28 F N 0.527 120.242 119.950 -0.392 0.000 2.046 28 F HA -0.383 3.901 4.527 -0.404 0.000 0.297 28 F C 1.816 177.383 175.800 -0.389 0.000 1.123 28 F CA 3.690 61.481 58.000 -0.347 0.000 1.199 28 F CB 0.235 39.126 39.000 -0.182 0.000 0.972 28 F HN -0.196 8.013 8.300 -0.151 0.000 0.474 29 V N -1.528 118.362 119.914 -0.040 0.000 2.255 29 V HA -0.698 3.667 4.120 0.410 0.000 0.247 29 V C 1.749 177.797 176.094 -0.078 0.000 1.051 29 V CA 4.674 67.008 62.300 0.058 0.000 1.018 29 V CB -0.200 31.637 31.823 0.023 0.000 0.641 29 V HN 0.032 8.213 8.190 -0.014 0.000 0.445 30 D N -1.362 118.910 120.400 -0.213 0.000 2.178 30 D HA -0.267 4.339 4.640 -0.055 0.000 0.202 30 D C 1.748 177.975 176.300 -0.122 0.000 0.974 30 D CA 3.348 57.286 54.000 -0.103 0.000 0.841 30 D CB -0.000 40.764 40.800 -0.059 0.000 0.953 30 D HN -0.018 8.065 8.370 -0.291 0.112 0.478 31 K N -0.060 120.124 120.400 -0.360 0.000 2.059 31 K HA -0.388 3.747 4.320 -0.308 0.000 0.212 31 K C 1.973 178.262 176.600 -0.519 0.000 1.050 31 K CA 3.487 59.478 56.287 -0.493 0.000 0.927 31 K CB -0.365 31.713 32.500 -0.703 0.000 0.714 31 K HN -0.038 7.947 8.250 -0.419 0.013 0.447 32 F N -2.546 117.243 119.950 -0.269 0.000 2.146 32 F HA -0.252 3.556 4.527 -1.199 0.000 0.298 32 F C 2.306 177.966 175.800 -0.233 0.000 1.096 32 F CA 2.040 59.741 58.000 -0.498 0.000 1.275 32 F CB -0.613 38.287 39.000 -0.165 0.000 1.008 32 F HN -0.595 7.149 8.300 -0.743 0.111 0.480 33 F N -2.084 117.847 119.950 -0.031 0.000 2.333 33 F HA -0.300 4.260 4.527 0.055 0.000 0.300 33 F C 1.749 177.521 175.800 -0.046 0.000 1.083 33 F CA 2.773 60.777 58.000 0.006 0.000 1.395 33 F CB -0.912 38.114 39.000 0.044 0.000 1.056 33 F HN -0.275 8.325 8.300 0.623 0.074 0.529 34 K N -3.198 117.228 120.400 0.044 0.000 2.323 34 K HA -0.081 4.252 4.320 0.022 0.000 0.197 34 K C 0.918 177.479 176.600 -0.064 0.000 1.043 34 K CA 1.694 57.972 56.287 -0.015 0.000 0.997 34 K CB 0.043 32.519 32.500 -0.041 0.000 0.807 34 K HN 0.114 8.239 8.250 0.012 0.132 0.497 35 K N -2.278 118.023 120.400 -0.166 0.000 2.121 35 K HA -0.015 4.284 4.320 -0.034 0.000 0.203 35 K C 2.671 179.323 176.600 0.086 0.000 1.041 35 K CA 1.490 57.707 56.287 -0.115 0.000 0.969 35 K CB 1.354 33.672 32.500 -0.303 0.000 0.799 35 K HN -0.531 7.438 8.250 -0.281 0.112 0.456 36 Y N -0.683 119.622 120.300 0.008 0.000 2.881 36 Y HA 0.234 4.755 4.550 -0.049 0.000 0.369 36 Y C -0.604 175.229 175.900 -0.111 0.000 1.066 36 Y CA -3.373 54.696 58.100 -0.052 0.000 1.616 36 Y CB -3.225 35.201 38.460 -0.057 0.000 1.436 36 Y HN 0.290 8.269 8.280 -0.329 0.104 0.505 37 K N -0.164 120.260 120.400 0.040 0.000 2.074 37 K HA -0.421 3.999 4.320 -0.037 -0.122 0.209 37 K C 2.330 178.901 176.600 -0.048 0.000 1.048 37 K CA 3.221 59.499 56.287 -0.015 0.000 0.926 37 K CB -0.350 32.153 32.500 0.005 0.000 0.713 37 K HN -0.510 7.671 8.250 0.062 0.106 0.444 38 N N -3.921 114.763 118.700 -0.027 0.000 2.309 38 N HA -0.210 4.495 4.740 -0.058 0.000 0.182 38 N C 0.610 176.059 175.510 -0.101 0.000 1.018 38 N CA 1.546 54.565 53.050 -0.053 0.000 0.876 38 N CB -1.197 37.271 38.487 -0.032 0.000 0.972 38 N HN 0.282 8.654 8.380 0.010 0.014 0.434 39 S N -2.028 113.606 115.700 -0.110 0.000 2.558 39 S HA -0.008 4.350 4.470 -0.187 0.000 0.217 39 S C -0.263 174.140 174.600 -0.327 0.000 0.975 39 S CA -0.225 57.866 58.200 -0.181 0.000 0.912 39 S CB 0.813 63.941 63.200 -0.120 0.000 0.776 39 S HN -0.591 7.525 8.310 -0.046 0.166 0.526 40 I N 4.735 125.096 120.570 -0.348 0.000 2.849 40 I HA -0.383 3.371 4.170 -0.693 0.000 0.288 40 I C -0.701 175.141 176.117 -0.459 0.000 1.156 40 I CA 0.962 61.978 61.300 -0.474 0.000 1.394 40 I CB -1.583 36.222 38.000 -0.325 0.000 1.462 40 I HN -0.870 7.030 8.210 -0.244 0.163 0.587 41 K N 9.974 129.936 120.400 -0.731 0.000 2.218 41 K HA 0.027 4.031 4.320 -0.527 0.000 0.276 41 K C -1.014 175.216 176.600 -0.616 0.000 1.022 41 K CA -1.041 54.753 56.287 -0.821 0.000 0.946 41 K CB 1.285 32.840 32.500 -1.576 0.000 1.000 41 K HN -0.130 7.575 8.250 -0.908 0.000 0.468 42 K N 3.828 124.033 120.400 -0.324 0.000 2.156 42 K HA 0.217 4.515 4.320 -0.036 0.000 0.250 42 K C -0.533 176.056 176.600 -0.018 0.000 0.955 42 K CA -2.138 54.089 56.287 -0.099 0.000 0.855 42 K CB 1.504 34.005 32.500 0.002 0.000 1.101 42 K HN 0.090 8.159 8.250 -0.301 0.000 0.434 43 E N 1.058 121.371 120.200 0.188 0.000 2.376 43 E HA 0.010 4.524 4.350 0.273 0.000 0.254 43 E C 0.406 177.128 176.600 0.203 0.000 1.213 43 E CA -0.010 56.561 56.400 0.285 0.000 0.945 43 E CB 1.003 30.985 29.700 0.471 0.000 1.057 43 E HN 0.043 8.577 8.360 0.291 0.000 0.479 44 D N -0.489 120.024 120.400 0.188 0.000 2.117 44 D HA -0.234 4.472 4.640 0.110 0.000 0.197 44 D C 1.047 177.436 176.300 0.150 0.000 0.987 44 D CA 2.740 56.825 54.000 0.140 0.000 0.829 44 D CB 0.150 41.023 40.800 0.122 0.000 0.961 44 D HN 0.341 8.840 8.370 0.215 0.000 0.460 45 N N -2.400 116.419 118.700 0.199 0.000 2.609 45 N HA -0.139 4.692 4.740 0.152 0.000 0.190 45 N C -0.316 175.328 175.510 0.224 0.000 1.157 45 N CA 0.057 53.233 53.050 0.209 0.000 0.918 45 N CB 0.251 38.894 38.487 0.260 0.000 0.978 45 N HN -0.129 8.387 8.380 0.227 0.000 0.448 46 G N -2.821 106.113 108.800 0.223 0.000 2.298 46 G HA2 -0.326 3.811 3.960 0.156 0.000 0.287 46 G HA3 -0.326 3.705 3.960 0.118 0.000 0.287 46 G C -0.868 174.162 174.900 0.218 0.000 1.075 46 G CA 0.376 45.581 45.100 0.175 0.000 0.960 46 G HN -0.464 7.718 8.290 0.216 0.238 0.502 47 F N 0.809 120.883 119.950 0.208 0.000 2.281 47 F HA -0.106 4.565 4.527 0.241 0.000 0.257 47 F C -0.310 175.653 175.800 0.272 0.000 1.220 47 F CA 1.739 59.913 58.000 0.289 0.000 1.038 47 F CB 1.443 40.726 39.000 0.471 0.000 1.015 47 F HN -0.418 8.185 8.300 0.506 0.000 0.560 48 G N -1.687 107.521 108.800 0.681 0.000 2.693 48 G HA2 -0.006 4.284 3.960 0.149 0.000 0.290 48 G HA3 -0.006 4.223 3.960 0.449 0.000 0.290 48 G C -2.636 172.600 174.900 0.560 0.000 1.378 48 G CA -0.500 44.860 45.100 0.433 0.000 1.120 48 G HN -0.360 8.448 8.290 0.864 0.000 0.609 49 W N 1.033 122.381 121.300 0.081 0.000 3.031 49 W HA 0.905 5.742 4.660 0.083 -0.127 0.337 49 W C -3.293 173.059 176.519 -0.279 0.000 1.187 49 W CA -2.912 54.303 57.345 -0.218 0.000 1.166 49 W CB 2.984 31.799 29.460 -1.075 0.000 1.437 49 W HN 0.781 8.758 8.180 -0.338 0.000 0.551 50 I N -1.527 119.154 120.570 0.185 0.000 2.722 50 I HA 0.379 4.505 4.170 -0.074 0.000 0.295 50 I C -1.782 174.484 176.117 0.248 0.000 1.161 50 I CA -1.320 60.019 61.300 0.064 0.000 1.032 50 I CB 4.624 42.501 38.000 -0.206 0.000 1.244 50 I HN -0.146 8.244 8.210 0.300 0.000 0.421 51 D N 4.397 124.941 120.400 0.239 0.000 2.390 51 D HA 0.015 4.808 4.640 -0.005 -0.156 0.249 51 D C 0.287 176.533 176.300 -0.090 0.000 1.144 51 D CA 0.582 54.608 54.000 0.043 0.000 0.880 51 D CB 0.709 41.530 40.800 0.035 0.000 1.182 51 D HN 0.283 8.792 8.370 0.231 0.000 0.451 52 I N -1.181 119.289 120.570 -0.166 0.000 4.102 52 I HA 0.496 4.483 4.170 -0.306 0.000 0.325 52 I C 1.032 177.002 176.117 -0.245 0.000 1.471 52 I CA -1.798 59.312 61.300 -0.317 0.000 1.133 52 I CB 0.299 37.872 38.000 -0.712 0.000 1.184 52 I HN 0.341 8.363 8.210 -0.125 0.112 0.451 53 G N 2.649 111.350 108.800 -0.164 0.000 2.499 53 G HA2 -0.402 3.625 3.960 -0.137 0.000 0.221 53 G HA3 -0.402 3.488 3.960 -0.118 0.000 0.221 53 G C 0.534 175.348 174.900 -0.143 0.000 1.109 53 G CA 2.147 47.164 45.100 -0.139 0.000 0.749 53 G HN -0.081 8.283 8.290 -0.141 -0.158 0.568 54 N N -0.637 117.967 118.700 -0.159 0.000 2.331 54 N HA -0.154 4.516 4.740 -0.116 0.000 0.180 54 N C 1.538 176.976 175.510 -0.120 0.000 1.019 54 N CA 2.070 55.032 53.050 -0.146 0.000 0.881 54 N CB 0.046 38.419 38.487 -0.191 0.000 0.972 54 N HN -0.687 7.689 8.380 -0.182 -0.106 0.435 55 E N -2.138 117.983 120.200 -0.132 0.000 2.268 55 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 55 E C -0.645 175.914 176.600 -0.069 0.000 0.995 55 E CA 1.193 57.555 56.400 -0.064 0.000 0.836 55 E CB 0.144 29.793 29.700 -0.085 0.000 0.763 55 E HN -0.234 7.863 8.360 -0.190 0.149 0.491 56 N N -5.479 113.143 118.700 -0.130 0.000 2.895 56 N HA -0.463 4.215 4.740 -0.230 -0.076 0.237 56 N C -0.701 174.604 175.510 -0.342 0.000 0.934 56 N CA 1.252 54.179 53.050 -0.204 0.000 0.984 56 N CB -1.320 37.091 38.487 -0.127 0.000 1.089 56 N HN -0.692 7.428 8.380 -0.145 0.173 0.604 57 I N -1.525 118.950 120.570 -0.158 0.000 2.948 57 I HA -0.388 3.810 4.170 0.046 0.000 0.303 57 I C -0.863 175.154 176.117 -0.167 0.000 1.224 57 I CA 1.633 62.913 61.300 -0.034 0.000 1.442 57 I CB 0.239 38.335 38.000 0.161 0.000 1.328 57 I HN -0.520 7.497 8.210 -0.081 0.144 0.578 58 Y N 4.694 125.071 120.300 0.128 0.000 2.330 58 Y HA 0.410 5.189 4.550 0.105 -0.166 0.336 58 Y C 0.054 176.025 175.900 0.117 0.000 1.036 58 Y CA -0.758 57.407 58.100 0.110 0.000 1.125 58 Y CB 1.752 40.262 38.460 0.083 0.000 1.194 58 Y HN 0.185 8.660 8.280 0.325 0.000 0.469 59 I N 2.068 122.788 120.570 0.249 0.000 2.498 59 I HA 0.251 4.558 4.170 0.153 -0.045 0.301 59 I C -1.720 174.520 176.117 0.207 0.000 0.984 59 I CA -2.089 59.323 61.300 0.187 0.000 1.204 59 I CB 3.672 41.758 38.000 0.144 0.000 1.362 59 I HN 0.987 9.347 8.210 0.251 0.000 0.471 60 K N 6.705 127.215 120.400 0.184 0.000 2.382 60 K HA -0.066 4.350 4.320 0.160 0.000 0.286 60 K C -0.973 175.752 176.600 0.207 0.000 1.062 60 K CA 1.310 57.702 56.287 0.175 0.000 1.000 60 K CB -0.482 32.109 32.500 0.151 0.000 0.954 60 K HN 0.024 8.380 8.250 0.176 0.000 0.470 61 S N 3.206 119.032 115.700 0.210 0.000 2.713 61 S HA 0.375 5.030 4.470 0.309 0.000 0.296 61 S C -1.509 173.266 174.600 0.291 0.000 1.114 61 S CA -1.996 56.353 58.200 0.248 0.000 0.997 61 S CB 2.160 65.475 63.200 0.192 0.000 1.249 61 S HN 0.059 8.478 8.310 0.182 0.000 0.534 62 F N -2.580 117.418 119.950 0.081 0.000 2.668 62 F HA 0.491 5.126 4.527 0.028 -0.092 0.309 62 F C -2.955 172.856 175.800 0.018 0.000 1.117 62 F CA -1.143 56.878 58.000 0.034 0.000 0.951 62 F CB 3.347 42.356 39.000 0.016 0.000 1.323 62 F HN -0.177 8.214 8.300 0.153 0.000 0.451 63 N N 1.960 120.393 118.700 -0.445 0.000 2.446 63 N HA 0.462 4.836 4.740 -0.610 0.000 0.265 63 N C -0.017 175.162 175.510 -0.551 0.000 0.975 63 N CA -1.214 51.529 53.050 -0.513 0.000 0.928 63 N CB 1.588 39.962 38.487 -0.189 0.000 1.160 63 N HN 0.578 8.948 8.380 -0.016 0.000 0.495 64 K N 6.013 125.980 120.400 -0.722 0.000 2.211 64 K HA -0.288 3.975 4.320 -0.096 0.000 0.204 64 K C 0.539 177.049 176.600 -0.151 0.000 1.047 64 K CA 2.515 58.597 56.287 -0.341 0.000 0.935 64 K CB -0.115 32.187 32.500 -0.330 0.000 0.728 64 K HN 0.071 7.821 8.250 -0.833 0.000 0.452 65 L N -3.347 117.785 121.223 -0.151 0.000 2.265 65 L HA -0.172 4.114 4.340 -0.090 0.000 0.215 65 L C 0.945 177.781 176.870 -0.057 0.000 1.117 65 L CA 1.790 56.574 54.840 -0.094 0.000 0.782 65 L CB 0.293 42.298 42.059 -0.089 0.000 0.914 65 L HN -0.311 7.755 8.230 -0.201 0.044 0.441 66 S N -4.555 111.124 115.700 -0.035 0.000 2.998 66 S HA 0.095 4.554 4.470 -0.017 0.000 0.256 66 S C -0.880 173.739 174.600 0.032 0.000 0.970 66 S CA -0.155 58.040 58.200 -0.008 0.000 1.238 66 S CB 2.324 65.519 63.200 -0.007 0.000 1.170 66 S HN -0.717 7.538 8.310 -0.041 0.030 0.663 67 L N -1.015 120.268 121.223 0.099 0.000 3.660 67 L HA -0.424 4.291 4.340 0.550 -0.045 0.440 67 L C -2.177 174.803 176.870 0.183 0.000 1.262 67 L CA 1.002 55.969 54.840 0.211 0.000 0.837 67 L CB -3.062 39.008 42.059 0.018 0.000 1.689 67 L HN -0.254 7.904 8.230 0.078 0.119 0.890 68 I N -8.983 111.714 120.570 0.212 0.000 2.607 68 I HA 0.654 4.881 4.170 0.096 0.000 0.305 68 I C -0.892 175.345 176.117 0.201 0.000 0.995 68 I CA -3.056 58.326 61.300 0.136 0.000 1.148 68 I CB 3.219 41.257 38.000 0.064 0.000 1.323 68 I HN -0.693 7.646 8.210 0.216 0.000 0.461 69 I N 4.413 125.061 120.570 0.131 0.000 2.315 69 I HA 0.127 4.425 4.170 0.213 0.000 0.291 69 I C -0.343 175.828 176.117 0.090 0.000 1.006 69 I CA -0.595 60.785 61.300 0.133 0.000 1.265 69 I CB -0.087 37.960 38.000 0.078 0.000 1.387 69 I HN -0.134 8.126 8.210 0.083 0.000 0.475 70 E N 6.578 126.836 120.200 0.097 0.000 2.459 70 E HA 0.364 4.741 4.350 0.046 0.000 0.275 70 E C -1.980 174.674 176.600 0.089 0.000 0.987 70 E CA -1.846 54.593 56.400 0.065 0.000 0.828 70 E CB 3.718 33.444 29.700 0.043 0.000 1.428 70 E HN -0.227 8.214 8.360 0.134 0.000 0.457 71 D N -1.041 119.407 120.400 0.079 0.000 2.377 71 D HA 0.388 5.276 4.640 0.165 -0.150 0.245 71 D C -0.168 176.244 176.300 0.187 0.000 1.196 71 D CA -0.195 53.892 54.000 0.144 0.000 0.962 71 D CB 1.259 42.113 40.800 0.090 0.000 1.127 71 D HN 0.122 8.519 8.370 0.046 0.000 0.471 72 K N -2.437 118.121 120.400 0.263 0.000 2.556 72 K HA 0.340 4.836 4.320 0.293 0.000 0.289 72 K C -2.547 174.182 176.600 0.215 0.000 1.040 72 K CA -1.474 54.962 56.287 0.248 0.000 0.894 72 K CB 4.438 37.024 32.500 0.144 0.000 1.547 72 K HN -0.006 8.434 8.250 0.316 0.000 0.417 73 R N 0.261 120.772 120.500 0.018 0.000 2.460 73 R HA 0.574 4.985 4.340 -0.150 -0.162 0.303 73 R C -0.148 176.143 176.300 -0.015 0.000 0.968 73 R CA -0.691 55.324 56.100 -0.142 0.000 0.889 73 R CB 1.488 31.559 30.300 -0.381 0.000 1.123 73 R HN 0.289 8.573 8.270 0.024 0.000 0.455 74 I N 1.573 122.163 120.570 0.033 0.000 2.938 74 I HA -0.256 3.976 4.170 0.104 0.000 0.285 74 I C -0.586 175.534 176.117 0.005 0.000 1.182 74 I CA 1.545 62.889 61.300 0.074 0.000 1.388 74 I CB 0.552 38.640 38.000 0.147 0.000 1.390 74 I HN 0.114 8.350 8.210 0.043 0.000 0.600 75 L N 0.430 121.663 121.223 0.016 0.000 2.600 75 L HA 0.293 4.592 4.340 -0.068 0.000 0.213 75 L C -0.018 176.818 176.870 -0.057 0.000 1.045 75 L CA 0.672 55.489 54.840 -0.037 0.000 0.863 75 L CB 1.364 43.401 42.059 -0.036 0.000 1.189 75 L HN 0.132 8.402 8.230 0.067 0.000 0.484 76 R N -4.472 116.014 120.500 -0.023 0.000 2.855 76 R HA 0.760 5.217 4.340 -0.032 -0.137 0.266 76 R C -2.135 174.206 176.300 0.068 0.000 1.034 76 R CA -1.123 54.944 56.100 -0.055 0.000 0.944 76 R CB 4.777 34.900 30.300 -0.296 0.000 1.219 76 R HN -0.816 7.481 8.270 0.044 0.000 0.474 77 V N -5.273 114.700 119.914 0.098 0.000 3.126 77 V HA 0.630 5.095 4.120 0.415 -0.096 0.314 77 V C -2.333 173.894 176.094 0.222 0.000 1.138 77 V CA -2.710 59.773 62.300 0.304 0.000 1.034 77 V CB 3.542 35.623 31.823 0.429 0.000 1.075 77 V HN 0.353 8.587 8.190 0.073 0.000 0.442 78 W N -2.140 119.414 121.300 0.423 0.000 3.031 78 W HA 0.726 5.924 4.660 0.618 -0.166 0.337 78 W C -1.333 175.443 176.519 0.428 0.000 1.187 78 W CA -1.224 56.407 57.345 0.477 0.000 1.166 78 W CB 4.431 34.062 29.460 0.286 0.000 1.437 78 W HN 0.664 9.185 8.180 0.710 0.085 0.551 79 R N 1.119 122.000 120.500 0.634 0.000 2.673 79 R HA 0.803 5.276 4.340 -0.054 -0.165 0.281 79 R C -2.306 174.092 176.300 0.164 0.000 0.991 79 R CA -1.828 54.355 56.100 0.138 0.000 0.896 79 R CB 4.442 34.599 30.300 -0.238 0.000 1.201 79 R HN 0.506 9.304 8.270 0.881 0.000 0.457 80 K N 2.261 122.597 120.400 -0.108 0.000 2.495 80 K HA 0.247 4.414 4.320 -0.255 0.000 0.268 80 K C -2.456 174.133 176.600 -0.018 0.000 1.008 80 K CA -1.869 54.270 56.287 -0.245 0.000 0.882 80 K CB 4.247 36.391 32.500 -0.594 0.000 1.443 80 K HN 0.611 8.715 8.250 -0.245 0.000 0.447 81 K N 0.921 121.323 120.400 0.004 0.000 2.123 81 K HA 0.108 4.365 4.320 -0.104 0.000 0.259 81 K C -1.770 174.822 176.600 -0.014 0.000 0.960 81 K CA -0.640 55.609 56.287 -0.064 0.000 0.872 81 K CB 0.885 33.260 32.500 -0.209 0.000 1.079 81 K HN 0.277 8.467 8.250 -0.100 0.000 0.440 82 Y N 5.539 125.750 120.300 -0.148 0.000 2.544 82 Y HA 0.114 4.621 4.550 -0.073 0.000 0.342 82 Y C -2.567 173.297 175.900 -0.060 0.000 1.062 82 Y CA -0.859 57.197 58.100 -0.072 0.000 1.023 82 Y CB 2.994 41.446 38.460 -0.013 0.000 1.308 82 Y HN -0.087 8.196 8.280 0.004 0.000 0.457 83 S N 4.841 120.118 115.700 -0.705 0.000 2.575 83 S HA 0.779 5.312 4.470 -0.246 -0.211 0.278 83 S C -1.335 172.770 174.600 -0.826 0.000 1.139 83 S CA -1.123 56.756 58.200 -0.535 0.000 0.954 83 S CB 2.809 65.856 63.200 -0.256 0.000 1.054 83 S HN 0.179 7.870 8.310 -1.032 0.000 0.483 84 G N 2.904 111.424 108.800 -0.467 0.000 2.323 84 G HA2 -0.031 3.850 3.960 -0.133 0.000 0.291 84 G HA3 -0.031 3.717 3.960 -0.353 0.000 0.291 84 G C -2.914 172.107 174.900 0.201 0.000 1.278 84 G CA 0.519 45.501 45.100 -0.197 0.000 0.860 84 G HN 0.722 8.962 8.290 -0.084 0.000 0.504 85 K N 1.002 121.544 120.400 0.235 0.000 2.234 85 K HA 0.689 5.322 4.320 0.220 -0.181 0.277 85 K C -1.209 175.552 176.600 0.267 0.000 1.038 85 K CA -0.908 55.515 56.287 0.228 0.000 0.888 85 K CB 0.760 33.344 32.500 0.139 0.000 1.091 85 K HN 0.008 8.388 8.250 0.216 0.000 0.467 86 L N 4.580 125.911 121.223 0.180 0.000 2.334 86 L HA 0.277 4.711 4.340 0.041 -0.069 0.275 86 L C -0.619 176.256 176.870 0.008 0.000 1.036 86 L CA -1.319 53.543 54.840 0.036 0.000 0.807 86 L CB 2.543 44.525 42.059 -0.129 0.000 1.231 86 L HN 0.489 8.822 8.230 0.172 0.000 0.438 87 I N 0.390 120.942 120.570 -0.031 0.000 2.529 87 I HA -0.066 4.101 4.170 -0.004 0.000 0.284 87 I C -0.556 175.510 176.117 -0.085 0.000 1.082 87 I CA -0.693 60.584 61.300 -0.038 0.000 1.406 87 I CB -0.595 37.380 38.000 -0.040 0.000 1.405 87 I HN 0.957 9.023 8.210 -0.068 0.104 0.548 88 K N 7.114 127.479 120.400 -0.058 0.000 3.045 88 K HA 0.341 4.884 4.320 -0.088 -0.277 0.211 88 K C -1.114 175.458 176.600 -0.047 0.000 1.141 88 K CA -2.454 53.798 56.287 -0.057 0.000 1.036 88 K CB 1.285 33.773 32.500 -0.020 0.000 0.851 88 K HN 0.058 8.289 8.250 -0.032 0.000 0.462 89 I N 1.069 121.590 120.570 -0.081 0.000 2.978 89 I HA -0.338 3.813 4.170 -0.032 0.000 0.293 89 I C -0.105 176.016 176.117 0.007 0.000 1.218 89 I CA 1.491 62.757 61.300 -0.057 0.000 1.393 89 I CB -0.463 37.467 38.000 -0.117 0.000 1.394 89 I HN -0.226 7.906 8.210 -0.131 0.000 0.541 90 T N 10.534 125.113 114.554 0.041 0.000 2.881 90 T HA 0.729 5.335 4.350 0.124 -0.182 0.278 90 T C -0.329 174.442 174.700 0.118 0.000 0.982 90 T CA -0.083 62.069 62.100 0.087 0.000 0.989 90 T CB 1.497 70.396 68.868 0.051 0.000 1.058 90 T HN 0.011 8.263 8.240 0.021 0.000 0.529 91 T N -2.437 112.192 114.554 0.125 0.000 2.864 91 T HA 0.577 5.129 4.350 0.058 -0.167 0.289 91 T C 0.320 175.045 174.700 0.042 0.000 1.082 91 T CA -2.950 59.198 62.100 0.080 0.000 1.009 91 T CB 3.553 72.477 68.868 0.093 0.000 1.234 91 T HN 0.058 8.371 8.240 0.121 0.000 0.526 92 K N 1.213 121.629 120.400 0.027 0.000 2.113 92 K HA -0.333 3.998 4.320 0.017 0.000 0.208 92 K C 1.073 177.679 176.600 0.010 0.000 1.047 92 K CA 2.505 58.803 56.287 0.018 0.000 0.928 92 K CB -0.181 32.331 32.500 0.021 0.000 0.716 92 K HN -0.013 8.267 8.250 0.031 -0.012 0.446 93 N N -1.911 116.788 118.700 -0.002 0.000 2.535 93 N HA -0.079 4.653 4.740 -0.013 0.000 0.203 93 N C -0.919 174.586 175.510 -0.008 0.000 1.301 93 N CA 0.651 53.690 53.050 -0.018 0.000 0.859 93 N CB -0.186 38.272 38.487 -0.049 0.000 1.055 93 N HN -0.360 8.349 8.380 -0.004 -0.331 0.457 94 R N -7.637 112.871 120.500 0.013 0.000 3.722 94 R HA -0.410 4.017 4.340 0.039 -0.063 0.284 94 R C -0.279 176.049 176.300 0.047 0.000 1.165 94 R CA 1.020 57.139 56.100 0.031 0.000 0.779 94 R CB -3.506 26.810 30.300 0.027 0.000 1.179 94 R HN -0.367 7.766 8.270 0.017 0.147 0.491 95 R N -1.698 118.827 120.500 0.041 0.000 2.738 95 R HA -0.136 4.256 4.340 0.086 0.000 0.268 95 R C -1.278 175.152 176.300 0.218 0.000 1.062 95 R CA 0.635 56.793 56.100 0.097 0.000 1.158 95 R CB 0.852 31.120 30.300 -0.054 0.000 1.046 95 R HN -0.506 7.752 8.270 0.025 0.028 0.493 96 E N -5.301 115.088 120.200 0.316 0.000 2.417 96 E HA 0.951 5.688 4.350 0.231 -0.249 0.280 96 E C -1.894 174.816 176.600 0.184 0.000 1.112 96 E CA -0.966 55.568 56.400 0.224 0.000 0.863 96 E CB 3.544 33.304 29.700 0.100 0.000 1.346 96 E HN -0.085 8.504 8.360 0.382 0.000 0.443 97 I N -7.875 112.675 120.570 -0.034 0.000 3.279 97 I HA 0.626 4.975 4.170 -0.025 -0.194 0.315 97 I C -1.855 174.162 176.117 -0.166 0.000 1.225 97 I CA -1.902 59.324 61.300 -0.123 0.000 0.947 97 I CB 4.340 42.139 38.000 -0.336 0.000 1.293 97 I HN -0.020 8.137 8.210 -0.087 0.000 0.468 98 T N 3.236 117.664 114.554 -0.211 0.000 3.198 98 T HA 0.599 4.987 4.350 -0.219 -0.169 0.352 98 T C -1.219 173.288 174.700 -0.320 0.000 1.197 98 T CA -0.362 61.585 62.100 -0.255 0.000 1.427 98 T CB 0.247 68.942 68.868 -0.289 0.000 0.983 98 T HN 0.387 8.967 8.240 -0.197 -0.458 0.560 99 L N 0.876 121.902 121.223 -0.328 0.000 2.397 99 L HA 0.720 4.846 4.340 -0.357 0.000 0.251 99 L C -1.419 175.291 176.870 -0.267 0.000 1.064 99 L CA -2.614 51.993 54.840 -0.388 0.000 0.859 99 L CB 1.899 43.509 42.059 -0.749 0.000 1.468 99 L HN -0.218 7.845 8.230 -0.277 0.000 0.411 100 T N -3.127 111.315 114.554 -0.186 0.000 2.748 100 T HA 0.132 4.377 4.350 -0.175 0.000 0.304 100 T C 1.302 175.959 174.700 -0.072 0.000 1.041 100 T CA -0.373 61.639 62.100 -0.148 0.000 1.033 100 T CB 1.033 69.833 68.868 -0.113 0.000 0.995 100 T HN -0.062 8.118 8.240 -0.099 0.000 0.536 101 H N -1.980 117.116 119.070 0.043 0.000 2.448 101 H HA -0.183 4.376 4.556 0.006 0.000 0.292 101 H C -0.038 175.315 175.328 0.041 0.000 1.035 101 H CA 2.222 58.288 56.048 0.029 0.000 1.349 101 H CB -0.084 29.696 29.762 0.031 0.000 1.425 101 H HN 0.428 8.232 8.280 -0.793 0.000 0.539 102 D N 0.380 120.820 120.400 0.067 0.000 2.690 102 D HA -0.026 4.822 4.640 0.122 -0.135 0.236 102 D C -1.557 174.765 176.300 0.037 0.000 1.218 102 D CA -0.214 53.835 54.000 0.082 0.000 0.829 102 D CB -1.267 39.578 40.800 0.075 0.000 1.009 102 D HN 0.040 8.265 8.370 -0.241 0.000 0.482 103 H N 0.994 120.025 119.070 -0.064 0.000 2.604 103 H HA 0.160 4.649 4.556 -0.113 0.000 0.306 103 H C -2.064 173.207 175.328 -0.095 0.000 1.075 103 H CA -1.545 54.446 56.048 -0.095 0.000 1.357 103 H CB 1.846 31.541 29.762 -0.111 0.000 1.426 103 H HN -0.947 7.321 8.280 0.138 0.095 0.470 104 P HA 0.228 4.776 4.420 -0.111 -0.195 0.271 104 P C -1.214 175.976 177.300 -0.184 0.000 1.233 104 P CA -0.007 63.004 63.100 -0.149 0.000 0.764 104 P CB 0.105 31.710 31.700 -0.158 0.000 0.825 105 V N -0.992 118.755 119.914 -0.278 0.000 3.182 105 V HA 0.431 4.290 4.120 -0.436 0.000 0.308 105 V C -2.284 173.494 176.094 -0.526 0.000 1.240 105 V CA -2.850 59.242 62.300 -0.346 0.000 1.063 105 V CB 3.299 35.068 31.823 -0.089 0.000 1.076 105 V HN 0.654 8.701 8.190 -0.240 0.000 0.446 106 Y N -2.038 118.349 120.300 0.145 0.000 2.446 106 Y HA 0.950 5.762 4.550 0.143 -0.176 0.338 106 Y C 0.562 176.628 175.900 0.277 0.000 1.055 106 Y CA -1.541 56.667 58.100 0.180 0.000 1.101 106 Y CB 2.710 41.249 38.460 0.131 0.000 1.221 106 Y HN 0.273 8.614 8.280 0.101 0.000 0.460 107 I N -4.963 115.883 120.570 0.460 0.000 3.074 107 I HA 0.881 5.417 4.170 0.328 -0.169 0.310 107 I C -1.512 174.870 176.117 0.442 0.000 1.153 107 I CA -2.450 59.069 61.300 0.365 0.000 0.993 107 I CB 4.865 42.985 38.000 0.199 0.000 1.237 107 I HN 0.883 9.362 8.210 0.449 0.000 0.443 108 S N 0.966 116.795 115.700 0.215 0.000 2.528 108 S HA 0.216 5.080 4.470 0.387 -0.162 0.277 108 S C 0.261 174.966 174.600 0.174 0.000 1.297 108 S CA -0.297 58.014 58.200 0.185 0.000 1.052 108 S CB 0.873 64.044 63.200 -0.047 0.000 0.917 108 S HN 0.180 8.570 8.310 0.133 0.000 0.492 109 K N 8.727 129.230 120.400 0.170 0.000 2.385 109 K HA 0.314 4.695 4.320 0.103 0.000 0.229 109 K C -0.324 176.330 176.600 0.090 0.000 1.089 109 K CA -0.969 55.387 56.287 0.114 0.000 1.060 109 K CB -0.434 32.128 32.500 0.103 0.000 1.698 109 K HN 0.864 9.141 8.250 0.218 0.104 0.469 110 T N 2.813 117.409 114.554 0.071 0.000 6.387 110 T HA -0.325 4.040 4.350 0.024 0.000 0.290 110 T C -0.345 174.374 174.700 0.032 0.000 1.901 110 T CA 1.558 63.681 62.100 0.040 0.000 3.035 110 T CB -1.309 67.582 68.868 0.039 0.000 1.917 110 T HN 0.748 9.036 8.240 0.079 0.000 1.121 111 G N -3.256 105.579 108.800 0.058 0.000 2.813 111 G HA2 -0.270 3.727 3.960 0.063 0.000 0.194 111 G HA3 -0.270 3.716 3.960 0.044 0.000 0.194 111 G C -1.613 173.351 174.900 0.107 0.000 1.010 111 G CA -0.324 44.816 45.100 0.068 0.000 0.771 111 G HN -0.235 8.044 8.290 0.086 0.062 0.485 112 E N 2.263 122.529 120.200 0.110 0.000 2.301 112 E HA 0.194 4.588 4.350 0.073 0.000 0.275 112 E C -0.829 175.873 176.600 0.171 0.000 1.030 112 E CA -0.881 55.581 56.400 0.103 0.000 0.852 112 E CB 1.581 31.326 29.700 0.075 0.000 1.060 112 E HN -0.079 8.212 8.360 0.104 0.131 0.401 113 V N 5.375 125.344 119.914 0.092 0.000 2.508 113 V HA 0.186 4.594 4.120 0.236 -0.146 0.281 113 V C -0.095 176.075 176.094 0.127 0.000 1.041 113 V CA 1.368 63.700 62.300 0.055 0.000 1.016 113 V CB 0.211 31.882 31.823 -0.253 0.000 0.984 113 V HN 0.373 8.578 8.190 0.024 0.000 0.478 114 L N 8.296 129.655 121.223 0.227 0.000 2.333 114 L HA 0.536 4.978 4.340 0.169 0.000 0.263 114 L C -1.798 175.244 176.870 0.287 0.000 1.014 114 L CA -1.420 53.545 54.840 0.208 0.000 0.820 114 L CB 4.825 46.977 42.059 0.156 0.000 1.352 114 L HN 0.607 9.025 8.230 0.314 0.000 0.421 115 E N 2.304 122.625 120.200 0.203 0.000 2.155 115 E HA 0.763 5.278 4.350 0.001 -0.164 0.264 115 E C -1.226 175.381 176.600 0.010 0.000 0.886 115 E CA -1.551 54.904 56.400 0.092 0.000 0.752 115 E CB 0.997 30.789 29.700 0.153 0.000 1.133 115 E HN 0.025 8.481 8.360 0.160 0.000 0.414 116 I N -1.140 119.405 120.570 -0.042 0.000 3.354 116 I HA 0.533 4.699 4.170 -0.005 0.000 0.316 116 I C -2.028 174.068 176.117 -0.034 0.000 1.182 116 I CA -2.023 59.268 61.300 -0.015 0.000 0.942 116 I CB 3.877 41.889 38.000 0.019 0.000 1.299 116 I HN 0.663 8.803 8.210 -0.116 0.000 0.473 117 N N -0.400 118.299 118.700 -0.001 0.000 2.514 117 N HA 0.139 5.041 4.740 0.019 -0.150 0.277 117 N C 1.372 176.893 175.510 0.017 0.000 1.126 117 N CA -0.447 52.614 53.050 0.019 0.000 0.978 117 N CB 0.245 38.759 38.487 0.045 0.000 1.106 117 N HN 0.125 8.511 8.380 0.009 0.000 0.461 118 A N 5.951 128.785 122.820 0.023 0.000 1.927 118 A HA -0.335 3.967 4.320 -0.031 0.000 0.220 118 A C 1.994 179.582 177.584 0.007 0.000 1.185 118 A CA 3.349 55.382 52.037 -0.006 0.000 0.639 118 A CB -0.174 18.807 19.000 -0.031 0.000 0.820 118 A HN 0.798 8.975 8.150 0.045 0.000 0.451 119 E N -3.173 117.053 120.200 0.044 0.000 2.333 119 E HA -0.297 4.069 4.350 0.026 0.000 0.198 119 E C 1.478 178.085 176.600 0.012 0.000 1.007 119 E CA 2.242 58.663 56.400 0.036 0.000 0.845 119 E CB -0.502 29.235 29.700 0.061 0.000 0.766 119 E HN -0.287 8.118 8.360 0.076 0.000 0.507 120 M N -3.082 116.526 119.600 0.012 0.000 2.447 120 M HA -0.047 4.434 4.480 0.002 0.000 0.264 120 M C 0.813 177.113 176.300 -0.001 0.000 1.095 120 M CA 1.340 56.644 55.300 0.006 0.000 1.125 120 M CB 0.633 33.241 32.600 0.013 0.000 1.389 120 M HN -0.167 7.976 8.290 0.019 0.159 0.459 121 V N 0.725 120.637 119.914 -0.004 0.000 1.935 121 V HA -0.169 3.949 4.120 -0.004 0.000 0.262 121 V C -0.540 175.538 176.094 -0.027 0.000 1.726 121 V CA 0.387 62.681 62.300 -0.010 0.000 1.656 121 V CB -2.966 28.852 31.823 -0.007 0.000 1.532 121 V HN -0.551 7.477 8.190 -0.002 0.161 0.509 122 K N 2.073 122.453 120.400 -0.032 0.000 2.520 122 K HA 0.115 4.412 4.320 -0.037 0.000 0.256 122 K C 0.798 177.357 176.600 -0.069 0.000 1.033 122 K CA -1.807 54.456 56.287 -0.042 0.000 1.007 122 K CB 1.407 33.887 32.500 -0.032 0.000 1.330 122 K HN -0.395 7.794 8.250 -0.027 0.045 0.507 123 V N -0.945 118.927 119.914 -0.070 0.000 3.284 123 V HA -0.205 3.848 4.120 -0.112 0.000 0.273 123 V C 0.352 176.366 176.094 -0.134 0.000 1.178 123 V CA 2.188 64.430 62.300 -0.096 0.000 1.177 123 V CB -0.168 31.616 31.823 -0.064 0.000 0.793 123 V HN 0.529 8.688 8.190 -0.052 0.000 0.536 124 G N -3.184 105.546 108.800 -0.117 0.000 3.324 124 G HA2 0.061 3.933 3.960 -0.148 0.000 0.251 124 G HA3 0.061 3.977 3.960 -0.073 0.000 0.251 124 G C -0.839 173.982 174.900 -0.132 0.000 1.072 124 G CA -0.867 44.161 45.100 -0.120 0.000 0.787 124 G HN -0.246 7.862 8.290 -0.092 0.126 0.537 125 D N 0.687 120.996 120.400 -0.151 0.000 2.342 125 D HA 0.255 4.862 4.640 -0.055 0.000 0.243 125 D C -1.567 174.612 176.300 -0.202 0.000 1.019 125 D CA -0.809 53.129 54.000 -0.103 0.000 0.864 125 D CB 3.466 44.254 40.800 -0.020 0.000 1.315 125 D HN -0.065 8.111 8.370 -0.156 0.101 0.468 126 Y N 0.560 120.850 120.300 -0.017 0.000 2.477 126 Y HA -0.009 4.516 4.550 -0.042 0.000 0.349 126 Y C -0.434 175.441 175.900 -0.042 0.000 0.977 126 Y CA -0.051 58.015 58.100 -0.056 0.000 1.214 126 Y CB 0.391 38.780 38.460 -0.119 0.000 1.124 126 Y HN 0.349 8.696 8.280 0.112 0.000 0.521 127 I N 5.726 126.372 120.570 0.127 0.000 2.436 127 I HA -0.027 4.395 4.170 0.195 -0.135 0.289 127 I C -1.286 174.952 176.117 0.203 0.000 1.083 127 I CA -0.601 60.812 61.300 0.188 0.000 1.372 127 I CB 0.943 39.074 38.000 0.217 0.000 1.408 127 I HN 0.297 8.558 8.210 0.086 0.000 0.516 128 Y N 8.725 129.146 120.300 0.202 0.000 2.702 128 Y HA -0.219 4.383 4.550 0.087 0.000 0.336 128 Y C 0.115 176.075 175.900 0.100 0.000 1.235 128 Y CA 2.618 60.795 58.100 0.128 0.000 1.492 128 Y CB 0.466 38.997 38.460 0.117 0.000 1.308 128 Y HN -0.076 8.347 8.280 0.429 0.115 0.589 129 I N -1.381 119.266 120.570 0.129 0.000 2.934 129 I HA 0.589 4.707 4.170 -0.086 0.000 0.306 129 I C -2.593 173.453 176.117 -0.117 0.000 1.110 129 I CA -4.210 57.035 61.300 -0.091 0.000 1.019 129 I CB 2.284 40.107 38.000 -0.295 0.000 1.227 129 I HN 0.467 8.737 8.210 0.098 0.000 0.434 130 P HA 0.365 4.770 4.420 -0.190 -0.098 0.274 130 P C -1.279 175.929 177.300 -0.154 0.000 1.246 130 P CA -0.584 62.400 63.100 -0.193 0.000 0.795 130 P CB 1.381 32.956 31.700 -0.209 0.000 1.006 131 K N -0.312 120.021 120.400 -0.110 0.000 1.776 131 K HA 0.315 4.572 4.320 -0.105 0.000 0.262 131 K C 0.430 176.987 176.600 -0.071 0.000 0.971 131 K CA -2.558 53.676 56.287 -0.088 0.000 0.943 131 K CB 2.416 34.878 32.500 -0.064 0.000 2.334 131 K HN 0.355 8.446 8.250 -0.098 0.100 0.894 132 N N -0.120 118.551 118.700 -0.049 0.000 2.009 132 N HA -0.245 4.473 4.740 -0.037 0.000 0.195 132 N C 0.684 176.180 175.510 -0.023 0.000 1.076 132 N CA 2.542 55.572 53.050 -0.034 0.000 0.863 132 N CB -0.214 38.258 38.487 -0.024 0.000 1.062 132 N HN 0.205 8.558 8.380 -0.045 0.000 0.425 133 N N -3.452 115.239 118.700 -0.014 0.000 2.236 133 N HA 0.132 4.875 4.740 0.005 0.000 0.196 133 N C -1.026 174.485 175.510 0.003 0.000 1.114 133 N CA 0.412 53.462 53.050 -0.001 0.000 0.859 133 N CB 0.816 39.303 38.487 0.001 0.000 0.982 133 N HN 0.134 8.504 8.380 -0.016 0.000 0.493 134 T N -6.374 108.172 114.554 -0.014 0.000 2.669 134 T HA 0.359 4.709 4.350 -0.000 0.000 0.283 134 T C -1.648 173.028 174.700 -0.040 0.000 1.019 134 T CA -2.648 59.443 62.100 -0.014 0.000 1.039 134 T CB 2.679 71.540 68.868 -0.012 0.000 1.374 134 T HN -0.813 7.338 8.240 -0.024 0.074 0.523 135 I N -0.349 120.206 120.570 -0.026 0.000 2.608 135 I HA 0.432 4.663 4.170 -0.068 -0.102 0.295 135 I C -2.328 173.815 176.117 0.043 0.000 1.049 135 I CA -1.689 59.600 61.300 -0.017 0.000 1.063 135 I CB 3.598 41.570 38.000 -0.046 0.000 1.248 135 I HN 0.243 8.450 8.210 -0.004 0.000 0.424 136 N N 5.753 124.475 118.700 0.036 0.000 2.831 136 N HA 0.337 5.065 4.740 -0.020 0.000 0.276 136 N C -2.629 172.819 175.510 -0.104 0.000 1.416 136 N CA -1.371 51.663 53.050 -0.028 0.000 0.799 136 N CB 4.083 42.533 38.487 -0.063 0.000 1.554 136 N HN 0.760 9.166 8.380 0.043 0.000 0.541 137 L N -2.267 118.838 121.223 -0.196 0.000 2.334 137 L HA 0.234 4.426 4.340 -0.246 0.000 0.273 137 L C -0.928 175.897 176.870 -0.074 0.000 1.013 137 L CA -0.912 53.786 54.840 -0.237 0.000 0.816 137 L CB 1.574 43.371 42.059 -0.437 0.000 1.278 137 L HN 0.163 8.295 8.230 -0.164 0.000 0.431 138 D N 1.073 121.514 120.400 0.067 0.000 2.661 138 D HA 0.161 4.880 4.640 0.132 0.000 0.228 138 D C -2.404 174.030 176.300 0.224 0.000 1.183 138 D CA -1.452 52.624 54.000 0.128 0.000 0.844 138 D CB 4.131 44.943 40.800 0.021 0.000 1.555 138 D HN -0.081 8.359 8.370 0.115 0.000 0.453 139 E N -0.143 120.151 120.200 0.156 0.000 2.266 139 E HA 0.089 4.234 4.350 -0.342 0.000 0.277 139 E C 0.495 177.052 176.600 -0.071 0.000 1.018 139 E CA -0.838 55.524 56.400 -0.063 0.000 0.840 139 E CB 1.920 31.605 29.700 -0.024 0.000 1.082 139 E HN 0.150 8.596 8.360 0.143 0.000 0.395 140 V N 5.333 125.163 119.914 -0.140 0.000 3.380 140 V HA -0.231 4.046 4.120 0.007 -0.152 0.268 140 V C 1.501 177.573 176.094 -0.036 0.000 1.168 140 V CA 1.696 63.963 62.300 -0.055 0.000 1.156 140 V CB -0.449 31.329 31.823 -0.075 0.000 0.785 140 V HN 0.524 8.548 8.190 -0.276 0.000 0.487 141 I N -4.260 116.280 120.570 -0.049 0.000 4.838 141 I HA -0.603 3.544 4.170 -0.039 0.000 0.045 141 I C -0.534 175.571 176.117 -0.020 0.000 0.634 141 I CA 2.845 64.128 61.300 -0.029 0.000 0.405 141 I CB -1.583 36.411 38.000 -0.009 0.000 0.432 141 I HN -0.211 8.150 8.210 -0.074 -0.196 0.155 142 K N 3.316 123.713 120.400 -0.005 0.000 2.258 142 K HA 0.016 4.333 4.320 -0.005 0.000 0.284 142 K C -1.287 175.309 176.600 -0.005 0.000 1.051 142 K CA -0.276 56.010 56.287 -0.002 0.000 0.923 142 K CB 0.615 33.120 32.500 0.008 0.000 1.046 142 K HN -0.252 7.999 8.250 0.003 0.000 0.474 143 V N 3.705 123.614 119.914 -0.009 0.000 2.340 143 V HA 0.243 4.355 4.120 -0.013 0.000 0.277 143 V C -1.115 174.976 176.094 -0.006 0.000 1.017 143 V CA -0.956 61.337 62.300 -0.012 0.000 0.820 143 V CB -0.236 31.575 31.823 -0.019 0.000 1.028 143 V HN 0.287 8.472 8.190 -0.009 0.000 0.436 144 E N 6.833 127.031 120.200 -0.002 0.000 2.368 144 E HA 0.434 4.788 4.350 0.006 0.000 0.257 144 E C -2.016 174.589 176.600 0.008 0.000 1.022 144 E CA -1.323 55.081 56.400 0.005 0.000 0.886 144 E CB 2.057 31.763 29.700 0.010 0.000 1.740 144 E HN 0.125 8.482 8.360 -0.005 0.000 0.456 145 T N -3.554 111.012 114.554 0.020 0.000 2.831 145 T HA 0.845 5.299 4.350 0.018 -0.094 0.287 145 T C -0.516 174.211 174.700 0.045 0.000 1.070 145 T CA -1.723 60.396 62.100 0.032 0.000 1.010 145 T CB 2.704 71.601 68.868 0.049 0.000 1.264 145 T HN -0.052 8.202 8.240 0.024 0.000 0.532 146 V N -5.712 114.242 119.914 0.066 0.000 3.046 146 V HA 0.537 4.713 4.120 0.094 0.000 0.316 146 V C -1.539 174.644 176.094 0.149 0.000 1.104 146 V CA -3.062 59.303 62.300 0.108 0.000 1.006 146 V CB 3.410 35.314 31.823 0.135 0.000 1.058 146 V HN 0.521 8.752 8.190 0.067 0.000 0.440 147 D N 1.608 122.105 120.400 0.163 0.000 2.177 147 D HA 0.462 5.361 4.640 0.187 -0.147 0.247 147 D C -1.250 175.216 176.300 0.277 0.000 1.063 147 D CA 0.628 54.734 54.000 0.177 0.000 0.867 147 D CB 1.967 42.824 40.800 0.094 0.000 1.168 147 D HN 0.005 8.463 8.370 0.146 0.000 0.445 148 Y N 4.436 124.822 120.300 0.144 0.000 2.513 148 Y HA 0.173 4.788 4.550 0.107 0.000 0.340 148 Y C -2.196 173.816 175.900 0.186 0.000 1.055 148 Y CA -0.194 58.008 58.100 0.170 0.000 1.020 148 Y CB 4.597 43.177 38.460 0.200 0.000 1.301 148 Y HN 0.629 9.122 8.280 0.356 0.000 0.453 149 N N 1.290 119.954 118.700 -0.060 0.000 2.286 149 N HA 0.198 5.004 4.740 -0.030 -0.083 0.245 149 N C -1.190 174.244 175.510 -0.127 0.000 1.363 149 N CA -0.328 52.677 53.050 -0.075 0.000 0.822 149 N CB 1.721 40.131 38.487 -0.128 0.000 1.345 149 N HN 0.207 8.291 8.380 -0.493 0.000 0.494 150 G N 0.311 109.073 108.800 -0.063 0.000 3.198 150 G HA2 0.146 4.000 3.960 -0.176 0.000 0.203 150 G HA3 0.146 4.066 3.960 -0.066 0.000 0.203 150 G C -1.771 173.037 174.900 -0.153 0.000 1.950 150 G CA -0.281 44.757 45.100 -0.103 0.000 0.798 150 G HN -0.363 8.024 8.290 0.162 0.000 0.720 151 H N -1.809 117.358 119.070 0.160 0.000 2.894 151 H HA 0.363 4.980 4.556 0.020 -0.049 0.368 151 H C -1.470 173.890 175.328 0.053 0.000 1.181 151 H CA -0.063 56.007 56.048 0.037 0.000 1.146 151 H CB 3.770 33.473 29.762 -0.099 0.000 1.839 151 H HN -0.273 8.241 8.280 0.390 0.000 0.557 152 I N -6.899 113.603 120.570 -0.113 0.000 3.002 152 I HA 0.828 5.191 4.170 0.119 -0.121 0.310 152 I C -2.066 173.761 176.117 -0.484 0.000 1.087 152 I CA -2.080 59.139 61.300 -0.134 0.000 1.017 152 I CB 3.816 41.770 38.000 -0.076 0.000 1.226 152 I HN 0.646 8.766 8.210 -0.150 0.000 0.443 153 Y N -2.086 118.305 120.300 0.152 0.000 2.562 153 Y HA 0.609 5.463 4.550 0.265 -0.144 0.345 153 Y C -1.705 174.310 175.900 0.192 0.000 1.045 153 Y CA -1.078 57.135 58.100 0.189 0.000 1.028 153 Y CB 3.898 42.427 38.460 0.114 0.000 1.297 153 Y HN 0.245 8.670 8.280 0.243 0.000 0.463 154 D N -1.877 118.773 120.400 0.417 0.000 2.752 154 D HA 0.386 5.148 4.640 0.204 0.000 0.313 154 D C -2.413 174.145 176.300 0.430 0.000 1.225 154 D CA -1.884 52.295 54.000 0.299 0.000 0.976 154 D CB 3.913 44.800 40.800 0.146 0.000 1.443 154 D HN -0.051 8.644 8.370 0.540 0.000 0.515 155 L N -2.258 119.188 121.223 0.371 0.000 2.230 155 L HA 0.547 5.257 4.340 0.464 -0.092 0.255 155 L C -0.589 176.582 176.870 0.501 0.000 1.039 155 L CA -1.292 53.797 54.840 0.415 0.000 0.846 155 L CB 4.464 46.657 42.059 0.222 0.000 1.419 155 L HN 0.288 8.672 8.230 0.256 0.000 0.435 156 T N 3.226 118.023 114.554 0.406 0.000 3.064 156 T HA 0.337 5.111 4.350 0.355 -0.211 0.367 156 T C -1.486 173.368 174.700 0.258 0.000 1.202 156 T CA -0.357 61.943 62.100 0.333 0.000 1.133 156 T CB 0.080 69.104 68.868 0.260 0.000 1.074 156 T HN 0.220 8.657 8.240 0.328 0.000 0.519 157 V N 8.965 129.065 119.914 0.310 0.000 2.217 157 V HA 0.341 4.585 4.120 0.207 0.000 0.264 157 V C -0.975 175.309 176.094 0.317 0.000 1.107 157 V CA -2.122 60.348 62.300 0.283 0.000 0.913 157 V CB -0.904 31.132 31.823 0.355 0.000 1.153 157 V HN -0.382 8.020 8.190 0.352 0.000 0.469 158 E N 3.157 123.507 120.200 0.250 0.000 2.358 158 E HA -0.208 4.494 4.350 0.588 0.000 0.195 158 E C 0.069 176.686 176.600 0.028 0.000 1.010 158 E CA 1.901 58.459 56.400 0.262 0.000 0.856 158 E CB 0.078 29.867 29.700 0.149 0.000 0.795 158 E HN 0.060 8.519 8.360 0.164 0.000 0.504 159 D N -0.619 119.806 120.400 0.041 0.000 2.123 159 D HA -0.118 4.488 4.640 -0.056 0.000 0.200 159 D C 0.449 176.720 176.300 -0.049 0.000 0.976 159 D CA 2.837 56.825 54.000 -0.020 0.000 0.831 159 D CB -0.092 40.716 40.800 0.013 0.000 0.974 159 D HN 0.183 8.530 8.370 0.098 0.081 0.469 160 N N -3.833 114.853 118.700 -0.023 0.000 2.160 160 N HA 0.042 4.723 4.740 -0.098 0.000 0.226 160 N C -0.873 174.649 175.510 0.020 0.000 1.256 160 N CA -0.740 52.268 53.050 -0.069 0.000 0.890 160 N CB 1.207 39.610 38.487 -0.139 0.000 1.116 160 N HN -0.060 8.342 8.380 0.037 0.000 0.517 161 H N -4.030 115.046 119.070 0.010 0.000 2.741 161 H HA -0.352 4.462 4.556 0.072 -0.215 0.305 161 H C -1.975 173.327 175.328 -0.044 0.000 1.169 161 H CA 0.636 56.696 56.048 0.019 0.000 1.144 161 H CB -1.842 27.932 29.762 0.021 0.000 1.397 161 H HN -0.491 7.869 8.280 0.175 0.025 0.409 162 T N -6.829 107.743 114.554 0.030 0.000 2.956 162 T HA 0.887 5.436 4.350 -0.053 -0.230 0.312 162 T C -1.324 173.439 174.700 0.106 0.000 1.151 162 T CA -1.811 60.258 62.100 -0.051 0.000 1.024 162 T CB 3.315 71.929 68.868 -0.422 0.000 1.140 162 T HN -0.641 7.632 8.240 0.073 0.011 0.473 163 Y N -1.192 119.284 120.300 0.293 0.000 2.677 163 Y HA 0.573 5.268 4.550 0.243 0.000 0.334 163 Y C -2.731 173.363 175.900 0.323 0.000 1.154 163 Y CA -3.195 55.069 58.100 0.273 0.000 1.070 163 Y CB 2.075 40.664 38.460 0.216 0.000 1.294 163 Y HN 0.183 8.439 8.280 -0.039 0.000 0.475 164 I N 0.204 121.111 120.570 0.561 0.000 2.385 164 I HA 0.661 5.300 4.170 0.405 -0.226 0.294 164 I C -0.355 176.041 176.117 0.465 0.000 0.988 164 I CA -1.807 59.749 61.300 0.427 0.000 1.265 164 I CB 0.358 38.490 38.000 0.219 0.000 1.388 164 I HN -0.083 8.419 8.210 0.487 0.000 0.480 165 A N 4.399 127.495 122.820 0.461 0.000 2.610 165 A HA 0.515 5.172 4.320 0.408 -0.093 0.291 165 A C -2.072 175.757 177.584 0.409 0.000 1.086 165 A CA -0.794 51.464 52.037 0.368 0.000 0.677 165 A CB 3.643 22.738 19.000 0.157 0.000 1.278 165 A HN 0.594 9.014 8.150 0.450 0.000 0.414 166 G N -1.719 107.317 108.800 0.392 0.000 2.315 166 G HA2 -0.114 4.159 3.960 0.180 0.000 0.296 166 G HA3 -0.114 4.116 3.960 0.451 0.000 0.296 166 G C -2.144 172.984 174.900 0.380 0.000 1.289 166 G CA 0.030 45.335 45.100 0.342 0.000 0.996 166 G HN 0.301 8.792 8.290 0.334 0.000 0.487 167 K N 0.595 121.183 120.400 0.314 0.000 2.168 167 K HA 0.492 4.970 4.320 0.263 0.000 0.239 167 K C 0.189 176.956 176.600 0.278 0.000 0.999 167 K CA -1.541 54.904 56.287 0.264 0.000 0.900 167 K CB 1.830 34.418 32.500 0.147 0.000 1.111 167 K HN 0.289 8.727 8.250 0.313 0.000 0.452 168 N N -1.595 117.238 118.700 0.222 0.000 3.788 168 N HA -0.384 4.437 4.740 0.135 0.000 0.214 168 N C -0.087 175.536 175.510 0.188 0.000 0.294 168 N CA 2.928 56.068 53.050 0.151 0.000 2.466 168 N CB -0.912 37.611 38.487 0.061 0.000 1.407 168 N HN 0.477 8.972 8.380 0.192 0.000 0.362 169 E N 1.976 122.156 120.200 -0.033 0.000 2.474 169 E HA 0.084 4.286 4.350 -0.247 0.000 0.215 169 E C -0.402 175.538 176.600 -1.099 0.000 0.867 169 E CA -0.392 55.765 56.400 -0.405 0.000 1.135 169 E CB 2.571 32.115 29.700 -0.261 0.000 1.147 169 E HN -0.060 8.225 8.360 -0.052 0.045 0.534 170 G N -0.555 107.953 108.800 -0.488 0.000 2.525 170 G HA2 -0.215 3.954 3.960 0.231 0.000 0.685 170 G HA3 -0.215 3.542 3.960 -0.339 0.000 0.685 170 G C -2.266 172.528 174.900 -0.177 0.000 1.290 170 G CA -0.458 44.531 45.100 -0.186 0.000 0.915 170 G HN -0.697 7.423 8.290 -0.284 0.000 0.548 171 F N -0.880 119.058 119.950 -0.019 0.000 2.495 171 F HA 0.301 4.812 4.527 -0.025 0.000 0.327 171 F C -1.138 174.704 175.800 0.069 0.000 1.103 171 F CA -1.705 56.306 58.000 0.018 0.000 0.949 171 F CB 3.186 42.221 39.000 0.058 0.000 1.142 171 F HN 0.584 9.049 8.300 0.470 0.116 0.457 172 A N 5.390 128.301 122.820 0.150 0.000 2.539 172 A HA 0.566 5.224 4.320 0.208 -0.213 0.306 172 A C -0.948 176.784 177.584 0.247 0.000 1.392 172 A CA -0.738 51.322 52.037 0.039 0.000 1.060 172 A CB -1.053 17.571 19.000 -0.626 0.000 1.134 172 A HN 0.407 8.630 8.150 0.121 0.000 0.542 173 V N -3.227 116.876 119.914 0.314 0.000 3.164 173 V HA 0.677 5.112 4.120 0.525 0.000 0.313 173 V C -0.924 175.255 176.094 0.141 0.000 1.188 173 V CA -3.945 58.523 62.300 0.281 0.000 1.058 173 V CB 2.926 34.838 31.823 0.148 0.000 1.110 173 V HN -0.082 8.266 8.190 0.264 0.000 0.453 174 S N -0.374 115.364 115.700 0.063 0.000 2.568 174 S HA -0.161 4.524 4.470 0.160 -0.119 0.282 174 S C -0.936 173.390 174.600 -0.456 0.000 1.338 174 S CA 0.866 59.045 58.200 -0.035 0.000 1.045 174 S CB 0.519 63.691 63.200 -0.046 0.000 0.873 174 S HN -0.018 8.253 8.310 -0.065 0.000 0.516 175 A N 4.784 127.425 122.820 -0.298 0.000 2.387 175 A HA 0.370 4.637 4.320 -0.089 0.000 0.303 175 A C -1.723 175.797 177.584 -0.107 0.000 1.145 175 A CA -1.209 50.750 52.037 -0.130 0.000 0.801 175 A CB 2.743 21.843 19.000 0.166 0.000 1.342 175 A HN 0.284 8.273 8.150 -0.109 0.095 0.440 176 S N -2.713 112.965 115.700 -0.037 0.000 3.629 176 S HA 0.479 4.552 4.470 -0.662 0.000 0.319 176 S C -1.279 173.395 174.600 0.124 0.000 1.149 176 S CA -0.852 57.217 58.200 -0.217 0.000 1.099 176 S CB 2.532 65.547 63.200 -0.308 0.000 1.433 176 S HN 0.049 8.420 8.310 0.101 0.000 0.736 177 S N 1.690 117.461 115.700 0.118 0.000 4.055 177 S HA 0.294 4.923 4.470 0.266 0.000 0.180 177 S C -0.087 174.562 174.600 0.082 0.000 1.191 177 S CA 0.124 58.460 58.200 0.227 0.000 1.195 177 S CB 0.631 64.091 63.200 0.432 0.000 1.932 177 S HN 0.115 8.412 8.310 -0.021 0.000 0.781 178 G N 3.103 111.979 108.800 0.127 0.000 2.356 178 G HA2 0.218 4.160 3.960 -0.030 0.000 0.300 178 G HA3 0.218 4.250 3.960 0.120 0.000 0.300 178 G C -1.312 173.598 174.900 0.017 0.000 1.107 178 G CA -0.558 44.576 45.100 0.057 0.000 0.960 178 G HN 0.207 8.633 8.290 0.227 0.000 0.418 179 T N 0.619 115.136 114.554 -0.062 0.000 0.541 179 T HA -0.418 3.915 4.350 -0.028 0.000 0.774 179 T C -0.717 173.957 174.700 -0.043 0.000 0.992 179 T CA -0.272 61.802 62.100 -0.044 0.000 4.077 179 T CB -0.024 68.812 68.868 -0.053 0.000 2.303 179 T HN -0.217 7.940 8.240 -0.139 0.000 0.398 180 L N 5.230 126.373 121.223 -0.135 0.000 2.505 180 L HA -0.059 4.186 4.340 -0.159 0.000 0.275 180 L C -0.328 176.176 176.870 -0.610 0.000 1.264 180 L CA -0.119 54.502 54.840 -0.366 0.000 1.148 180 L CB -1.407 40.296 42.059 -0.593 0.000 1.377 180 L HN 0.318 8.455 8.230 -0.155 0.000 0.442 181 H N 0.625 119.635 119.070 -0.099 0.000 2.672 181 H HA -0.388 4.110 4.556 -0.097 0.000 0.325 181 H C -1.228 174.080 175.328 -0.034 0.000 1.158 181 H CA 0.644 56.645 56.048 -0.078 0.000 1.134 181 H CB -2.841 26.910 29.762 -0.018 0.000 1.553 181 H HN 0.306 8.462 8.280 -0.137 0.042 0.419 182 H N 2.019 121.027 119.070 -0.104 0.000 2.355 182 H HA -0.086 4.455 4.556 -0.025 0.000 0.303 182 H C -0.014 175.310 175.328 -0.005 0.000 1.061 182 H CA 0.701 56.727 56.048 -0.036 0.000 1.368 182 H CB 1.099 30.862 29.762 0.002 0.000 1.412 182 H HN -0.654 7.667 8.280 0.069 0.000 0.523 183 H N -1.283 117.769 119.070 -0.031 0.000 2.309 183 H HA -0.351 4.089 4.556 -0.193 0.000 0.291 183 H C -1.381 173.646 175.328 -0.501 0.000 0.807 183 H CA 0.068 55.955 56.048 -0.269 0.000 0.956 183 H CB -0.858 28.705 29.762 -0.331 0.000 1.545 183 H HN 0.134 8.435 8.280 0.034 0.000 0.284 184 H N 5.480 124.333 119.070 -0.363 0.000 2.746 184 H HA 0.157 4.487 4.556 -0.376 0.000 0.269 184 H C -1.095 174.142 175.328 -0.151 0.000 1.248 184 H CA -0.205 55.641 56.048 -0.337 0.000 1.258 184 H CB -1.169 28.403 29.762 -0.318 0.000 1.441 184 H HN 0.064 8.318 8.280 -0.043 0.000 0.508 185 H N 4.870 123.876 119.070 -0.107 0.000 4.439 185 H HA 0.158 4.773 4.556 0.098 0.000 0.333 185 H C -0.551 174.774 175.328 -0.005 0.000 1.354 185 H CA -0.589 55.446 56.048 -0.023 0.000 0.910 185 H CB 0.530 30.229 29.762 -0.105 0.000 1.131 185 H HN 0.593 8.577 8.280 -0.493 0.000 0.641 186 H N 0.000 119.212 119.070 0.237 0.000 2.539 186 H HA 0.000 4.576 4.556 0.033 0.000 0.296 186 H CA 0.000 56.090 56.048 0.070 0.000 1.023 186 H CB 0.000 29.763 29.762 0.002 0.000 1.292 186 H HN 0.000 8.283 8.280 0.005 0.000 0.496