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 2ase_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKLPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG QEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAALE 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 4.466 4.480 -0.023 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 Q N -0.111 119.679 119.800 -0.017 0.000 2.359 2 Q HA 0.162 4.509 4.340 0.013 0.000 0.275 2 Q C -1.372 174.625 176.000 -0.004 0.000 1.082 2 Q CA -1.190 54.612 55.803 -0.002 0.000 0.849 2 Q CB 2.769 31.504 28.738 -0.005 0.000 1.377 2 Q HN -0.485 7.768 8.270 -0.028 0.000 0.452 3 T N 0.024 114.591 114.554 0.022 0.000 2.897 3 T HA -0.220 4.169 4.350 0.065 0.000 0.304 3 T C -0.282 174.406 174.700 -0.019 0.000 1.051 3 T CA 1.128 63.245 62.100 0.029 0.000 1.132 3 T CB 0.243 69.132 68.868 0.035 0.000 1.066 3 T HN 0.118 8.376 8.240 0.030 0.000 0.518 4 I N 6.546 127.090 120.570 -0.045 0.000 2.689 4 I HA 0.248 4.373 4.170 -0.076 0.000 0.299 4 I C -2.186 173.876 176.117 -0.092 0.000 1.059 4 I CA -1.958 59.291 61.300 -0.084 0.000 1.055 4 I CB 4.936 42.862 38.000 -0.123 0.000 1.243 4 I HN -0.007 8.183 8.210 -0.033 0.000 0.425 5 K N 6.410 126.752 120.400 -0.097 0.000 2.130 5 K HA 0.126 4.416 4.320 -0.050 0.000 0.268 5 K C -1.488 175.032 176.600 -0.134 0.000 0.983 5 K CA -0.430 55.810 56.287 -0.078 0.000 0.893 5 K CB 1.448 33.924 32.500 -0.040 0.000 1.066 5 K HN 0.313 8.499 8.250 -0.106 0.000 0.450 6 C N 1.417 120.655 119.300 -0.103 0.000 2.712 6 C HA 1.036 5.369 4.460 -0.211 0.000 0.308 6 C C -2.000 172.965 174.990 -0.041 0.000 1.201 6 C CA -3.226 55.711 59.018 -0.136 0.000 1.554 6 C CB 2.630 30.274 27.740 -0.161 0.000 2.117 6 C HN 0.138 8.234 8.230 -0.048 0.105 0.480 7 V N 0.579 120.460 119.914 -0.055 0.000 2.876 7 V HA 0.477 4.813 4.120 0.186 -0.105 0.312 7 V C -2.748 173.408 176.094 0.102 0.000 1.085 7 V CA -2.188 60.151 62.300 0.066 0.000 0.945 7 V CB 3.700 35.496 31.823 -0.046 0.000 1.017 7 V HN -0.224 7.884 8.190 -0.136 0.000 0.428 8 V N 2.778 122.812 119.914 0.200 0.000 2.370 8 V HA 0.696 5.099 4.120 0.097 -0.224 0.283 8 V C -0.741 175.440 176.094 0.144 0.000 1.023 8 V CA -1.397 60.984 62.300 0.135 0.000 0.857 8 V CB 0.266 32.147 31.823 0.096 0.000 0.985 8 V HN 0.072 8.441 8.190 0.338 0.023 0.443 9 V N 5.213 125.167 119.914 0.067 0.000 2.656 9 V HA 0.516 4.645 4.120 0.015 0.000 0.307 9 V C -0.858 175.078 176.094 -0.263 0.000 1.051 9 V CA -1.991 60.295 62.300 -0.024 0.000 0.893 9 V CB 3.462 35.332 31.823 0.078 0.000 0.999 9 V HN 0.505 8.734 8.190 0.065 0.000 0.426 10 G N 3.553 112.034 108.800 -0.532 0.000 2.911 10 G HA2 0.445 3.940 3.960 -0.775 0.000 0.299 10 G HA3 0.445 4.360 3.960 -0.374 -0.179 0.299 10 G C -2.610 171.574 174.900 -1.194 0.000 1.283 10 G CA -0.594 44.069 45.100 -0.728 0.000 0.805 10 G HN -0.088 7.935 8.290 -0.446 0.000 0.548 11 D N 0.139 120.157 120.400 -0.637 0.000 2.348 11 D HA 0.004 4.623 4.640 -0.035 0.000 0.253 11 D C 1.384 177.710 176.300 0.043 0.000 1.161 11 D CA 0.071 53.960 54.000 -0.185 0.000 0.876 11 D CB 1.253 42.076 40.800 0.039 0.000 1.160 11 D HN -0.305 7.832 8.370 -0.389 0.000 0.459 12 G N 4.772 113.734 108.800 0.270 0.000 3.523 12 G HA2 -0.467 3.690 3.960 0.328 0.000 0.361 12 G HA3 -0.467 3.616 3.960 0.204 0.000 0.361 12 G C -1.695 173.308 174.900 0.173 0.000 1.349 12 G CA 1.385 46.633 45.100 0.247 0.000 1.173 12 G HN 0.339 8.965 8.290 0.560 0.000 0.709 13 A N 2.352 125.234 122.820 0.104 0.000 2.381 13 A HA 0.490 4.858 4.320 0.081 0.000 0.299 13 A C -1.620 175.979 177.584 0.025 0.000 1.049 13 A CA -0.996 51.084 52.037 0.072 0.000 0.715 13 A CB 2.566 21.612 19.000 0.076 0.000 1.222 13 A HN -0.362 7.844 8.150 0.096 0.002 0.428 14 V N -3.671 116.241 119.914 -0.003 0.000 3.049 14 V HA 0.281 4.395 4.120 -0.010 0.000 0.309 14 V C -0.089 175.987 176.094 -0.029 0.000 1.148 14 V CA -1.825 60.462 62.300 -0.022 0.000 0.990 14 V CB 3.307 35.102 31.823 -0.047 0.000 1.039 14 V HN -0.187 8.002 8.190 -0.002 0.000 0.430 15 G N 1.774 110.554 108.800 -0.034 0.000 2.379 15 G HA2 -0.427 3.515 3.960 -0.031 0.000 0.281 15 G HA3 -0.427 3.513 3.960 -0.034 0.000 0.281 15 G C 0.702 175.583 174.900 -0.031 0.000 0.855 15 G CA 1.416 46.497 45.100 -0.032 0.000 1.105 15 G HN -0.024 8.244 8.290 -0.036 0.000 0.482 16 K N -1.457 118.923 120.400 -0.033 0.000 2.049 16 K HA -0.422 3.863 4.320 -0.059 0.000 0.219 16 K C -0.073 176.494 176.600 -0.055 0.000 1.056 16 K CA 2.797 59.056 56.287 -0.048 0.000 0.946 16 K CB -0.229 32.248 32.500 -0.039 0.000 0.723 16 K HN 0.258 8.490 8.250 -0.026 0.003 0.453 17 T N -4.996 109.536 114.554 -0.036 0.000 3.358 17 T HA 0.170 4.511 4.350 -0.016 0.000 0.263 17 T C 1.088 175.786 174.700 -0.004 0.000 0.998 17 T CA 1.273 63.360 62.100 -0.021 0.000 1.130 17 T CB 0.227 69.076 68.868 -0.032 0.000 1.165 17 T HN -0.010 8.210 8.240 -0.034 0.000 0.426 18 C N 3.216 122.505 119.300 -0.017 0.000 2.403 18 C HA -0.303 4.147 4.460 -0.017 0.000 0.282 18 C C 1.842 176.838 174.990 0.010 0.000 1.200 18 C CA 3.722 62.733 59.018 -0.012 0.000 1.846 18 C CB -1.079 26.649 27.740 -0.020 0.000 2.115 18 C HN 0.177 8.390 8.230 -0.028 0.000 0.497 19 L N 0.086 121.319 121.223 0.016 0.000 2.095 19 L HA -0.027 4.336 4.340 0.039 0.000 0.204 19 L C 2.222 179.154 176.870 0.102 0.000 1.080 19 L CA 2.665 57.530 54.840 0.042 0.000 0.759 19 L CB 0.466 42.537 42.059 0.019 0.000 0.914 19 L HN -0.596 7.580 8.230 0.003 0.056 0.439 20 L N -2.657 118.628 121.223 0.103 0.000 2.079 20 L HA -0.288 4.182 4.340 0.217 0.000 0.210 20 L C 1.601 178.628 176.870 0.262 0.000 1.081 20 L CA 2.720 57.670 54.840 0.183 0.000 0.752 20 L CB -0.058 42.084 42.059 0.138 0.000 0.896 20 L HN 0.102 8.267 8.230 0.059 0.101 0.433 21 I N -9.016 111.631 120.570 0.127 0.000 3.812 21 I HA 0.264 4.422 4.170 -0.019 0.000 0.320 21 I C 1.189 177.239 176.117 -0.112 0.000 1.276 21 I CA -1.073 60.223 61.300 -0.007 0.000 1.164 21 I CB -0.332 37.660 38.000 -0.013 0.000 1.009 21 I HN -0.466 7.777 8.210 0.082 0.016 0.431 22 S N 3.743 119.484 115.700 0.069 0.000 2.460 22 S HA -0.435 4.261 4.470 0.020 -0.213 0.241 22 S C 1.611 176.198 174.600 -0.021 0.000 1.051 22 S CA 4.796 63.036 58.200 0.066 0.000 1.223 22 S CB -0.252 63.051 63.200 0.172 0.000 1.160 22 S HN 0.080 8.267 8.310 0.149 0.212 0.424 23 Y N -2.460 117.867 120.300 0.044 0.000 2.215 23 Y HA -0.324 4.213 4.550 -0.022 0.000 0.282 23 Y C 1.522 177.352 175.900 -0.116 0.000 1.207 23 Y CA 2.028 60.084 58.100 -0.075 0.000 1.196 23 Y CB -2.267 35.993 38.460 -0.334 0.000 0.969 23 Y HN 0.287 8.894 8.280 0.546 0.000 0.528 24 T N -1.432 112.264 114.554 -1.430 0.000 2.946 24 T HA -0.447 3.251 4.350 -1.086 0.000 0.270 24 T C 0.443 174.907 174.700 -0.394 0.000 1.129 24 T CA 2.492 64.007 62.100 -0.976 0.000 1.103 24 T CB -1.098 67.369 68.868 -0.668 0.000 0.839 24 T HN -0.634 6.484 8.240 -1.665 0.123 0.544 25 T N -0.743 113.659 114.554 -0.253 0.000 3.996 25 T HA -0.379 3.927 4.350 -0.074 0.000 0.348 25 T C 0.075 174.717 174.700 -0.096 0.000 0.757 25 T CA 1.442 63.471 62.100 -0.118 0.000 1.898 25 T CB -2.328 66.486 68.868 -0.090 0.000 1.861 25 T HN 0.546 8.391 8.240 -0.267 0.234 0.821 26 N N -1.393 117.255 118.700 -0.087 0.000 2.120 26 N HA -0.290 4.431 4.740 -0.031 0.000 0.188 26 N C -0.238 175.267 175.510 -0.007 0.000 1.024 26 N CA 1.048 54.087 53.050 -0.019 0.000 0.852 26 N CB 0.469 38.991 38.487 0.058 0.000 1.003 26 N HN 0.002 8.301 8.380 -0.115 0.012 0.424 27 K N -6.082 114.310 120.400 -0.014 0.000 7.454 27 K HA -0.403 4.103 4.320 -0.008 -0.191 0.649 27 K C 1.124 177.724 176.600 0.001 0.000 2.590 27 K CA 0.471 56.754 56.287 -0.008 0.000 1.946 27 K CB -0.559 31.934 32.500 -0.011 0.000 2.011 27 K HN -0.609 7.627 8.250 -0.022 0.000 0.289 28 L N 3.159 124.381 121.223 -0.002 0.000 2.011 28 L HA -0.343 3.996 4.340 -0.002 0.000 0.225 28 L C -1.227 175.644 176.870 0.003 0.000 1.084 28 L CA 4.974 59.813 54.840 -0.001 0.000 0.791 28 L CB -1.530 40.527 42.059 -0.004 0.000 0.898 28 L HN 0.156 8.384 8.230 -0.004 0.000 0.440 29 P HA -0.201 4.219 4.420 0.001 0.000 0.220 29 P C -0.324 176.981 177.300 0.008 0.000 1.144 29 P CA 1.154 64.256 63.100 0.002 0.000 0.808 29 P CB -0.161 31.538 31.700 -0.001 0.000 0.763 30 S N -1.850 113.859 115.700 0.016 0.000 2.462 30 S HA 0.127 4.614 4.470 0.028 0.000 0.294 30 S C 0.131 174.759 174.600 0.048 0.000 1.144 30 S CA -2.063 56.157 58.200 0.034 0.000 1.088 30 S CB 1.448 64.675 63.200 0.044 0.000 1.009 30 S HN -0.196 7.904 8.310 0.013 0.219 0.484 31 E N 6.302 126.533 120.200 0.052 0.000 2.204 31 E HA -0.213 4.146 4.350 0.015 0.000 0.194 31 E C 0.680 177.309 176.600 0.048 0.000 0.989 31 E CA 1.315 57.737 56.400 0.038 0.000 0.824 31 E CB 0.139 29.859 29.700 0.033 0.000 0.756 31 E HN 0.404 8.794 8.360 0.049 0.000 0.477 32 Y N 0.749 121.035 120.300 -0.024 0.000 2.802 32 Y HA -0.261 4.280 4.550 -0.016 0.000 0.333 32 Y C -1.164 174.719 175.900 -0.028 0.000 1.244 32 Y CA 1.619 59.704 58.100 -0.025 0.000 1.558 32 Y CB 0.282 38.721 38.460 -0.036 0.000 1.233 32 Y HN -0.664 7.715 8.280 0.205 0.024 0.547 33 V N 7.812 127.364 119.914 -0.603 0.000 5.544 33 V HA 0.162 4.052 4.120 -0.383 0.000 0.675 33 V C -2.490 173.382 176.094 -0.371 0.000 1.958 33 V CA -2.317 59.744 62.300 -0.398 0.000 3.491 33 V CB 0.250 31.979 31.823 -0.157 0.000 0.359 33 V HN 0.224 7.974 8.190 -0.733 0.000 0.567 34 P HA 0.209 4.510 4.420 -0.198 0.000 0.264 34 P C -0.444 176.779 177.300 -0.129 0.000 1.193 34 P CA 0.077 63.022 63.100 -0.259 0.000 0.763 34 P CB 0.431 31.997 31.700 -0.223 0.000 0.810 35 T N -3.242 111.257 114.554 -0.092 0.000 3.084 35 T HA 0.116 4.439 4.350 -0.045 0.000 0.270 35 T C 0.564 175.209 174.700 -0.092 0.000 1.008 35 T CA 0.108 62.167 62.100 -0.070 0.000 0.900 35 T CB 0.247 69.070 68.868 -0.076 0.000 1.084 35 T HN -0.237 7.942 8.240 -0.100 0.000 0.538 36 V N -0.145 119.693 119.914 -0.126 0.000 2.343 36 V HA -0.176 3.766 4.120 -0.295 0.000 0.247 36 V C -0.219 175.563 176.094 -0.520 0.000 1.051 36 V CA 1.804 63.902 62.300 -0.336 0.000 1.036 36 V CB 0.011 31.586 31.823 -0.414 0.000 0.654 36 V HN -0.101 7.987 8.190 -0.077 0.056 0.451 37 F N -1.581 118.368 119.950 -0.003 0.000 2.436 37 F HA 0.088 4.634 4.527 0.032 0.000 0.340 37 F C -1.289 174.529 175.800 0.031 0.000 1.113 37 F CA -1.394 56.621 58.000 0.025 0.000 1.022 37 F CB 1.843 40.866 39.000 0.038 0.000 1.128 37 F HN -0.715 7.674 8.300 0.149 0.000 0.466 38 D N 2.845 123.367 120.400 0.203 0.000 2.317 38 D HA -0.041 4.643 4.640 0.073 0.000 0.252 38 D C -1.068 175.379 176.300 0.245 0.000 1.174 38 D CA -0.312 53.769 54.000 0.135 0.000 0.866 38 D CB 1.074 41.899 40.800 0.041 0.000 1.127 38 D HN 0.134 8.630 8.370 0.210 0.000 0.467 39 N N 4.173 122.999 118.700 0.209 0.000 2.473 39 N HA 0.106 4.983 4.740 0.229 0.000 0.291 39 N C -1.481 174.231 175.510 0.337 0.000 1.083 39 N CA -0.205 52.989 53.050 0.240 0.000 0.951 39 N CB 1.879 40.484 38.487 0.196 0.000 1.164 39 N HN 0.295 8.761 8.380 0.144 0.000 0.480 40 Y N -5.709 114.682 120.300 0.152 0.000 3.159 40 Y HA 0.183 4.981 4.550 0.159 -0.153 0.294 40 Y C -2.681 173.295 175.900 0.126 0.000 1.027 40 Y CA -0.273 57.927 58.100 0.167 0.000 1.298 40 Y CB 0.392 39.012 38.460 0.268 0.000 1.336 40 Y HN 0.100 8.370 8.280 -0.018 0.000 0.597 41 A N 0.097 122.695 122.820 -0.370 0.000 2.604 41 A HA 0.220 4.415 4.320 -0.208 0.000 0.285 41 A C -2.587 174.921 177.584 -0.127 0.000 1.095 41 A CA -0.315 51.520 52.037 -0.337 0.000 0.842 41 A CB 1.173 19.804 19.000 -0.614 0.000 1.385 41 A HN -0.622 7.410 8.150 -0.198 0.000 0.404 42 V N 3.136 123.044 119.914 -0.009 0.000 2.686 42 V HA 0.233 4.350 4.120 -0.006 0.000 0.306 42 V C -1.191 174.916 176.094 0.022 0.000 1.065 42 V CA -0.343 61.975 62.300 0.031 0.000 0.894 42 V CB 3.243 35.128 31.823 0.104 0.000 1.004 42 V HN -0.321 7.876 8.190 0.011 0.000 0.424 43 T N 6.297 120.829 114.554 -0.036 0.000 2.781 43 T HA 0.350 4.655 4.350 -0.074 0.000 0.305 43 T C -1.053 173.560 174.700 -0.145 0.000 1.001 43 T CA -0.353 61.699 62.100 -0.081 0.000 0.950 43 T CB -0.287 68.537 68.868 -0.073 0.000 0.955 43 T HN 0.227 8.444 8.240 -0.039 0.000 0.471 44 V N 9.190 128.956 119.914 -0.248 0.000 2.841 44 V HA 0.536 4.522 4.120 -0.224 0.000 0.310 44 V C -2.217 173.573 176.094 -0.507 0.000 1.090 44 V CA -1.672 60.441 62.300 -0.312 0.000 0.930 44 V CB 3.974 35.583 31.823 -0.356 0.000 1.014 44 V HN 0.040 8.071 8.190 -0.265 0.000 0.425 45 M N 4.163 123.558 119.600 -0.341 0.000 2.508 45 M HA 0.607 4.981 4.480 -0.548 -0.223 0.327 45 M C -1.485 174.722 176.300 -0.155 0.000 1.160 45 M CA -1.205 53.904 55.300 -0.319 0.000 0.980 45 M CB 2.601 35.097 32.600 -0.175 0.000 1.693 45 M HN -0.009 8.143 8.290 -0.230 0.000 0.452 46 I N 1.215 121.762 120.570 -0.037 0.000 2.406 46 I HA 0.098 4.279 4.170 0.019 0.000 0.290 46 I C 0.674 176.826 176.117 0.059 0.000 0.999 46 I CA -1.605 59.729 61.300 0.056 0.000 1.124 46 I CB 0.379 38.482 38.000 0.173 0.000 1.289 46 I HN -0.219 7.986 8.210 -0.009 0.000 0.441 47 G N 8.007 116.827 108.800 0.032 0.000 2.451 47 G HA2 -0.368 3.601 3.960 0.015 0.000 0.296 47 G HA3 -0.368 3.612 3.960 0.034 0.000 0.296 47 G C 0.409 175.327 174.900 0.029 0.000 0.922 47 G CA 0.310 45.426 45.100 0.028 0.000 1.074 47 G HN 0.504 8.807 8.290 0.021 0.000 0.509 48 G N -2.854 105.957 108.800 0.019 0.000 2.303 48 G HA2 -0.255 3.707 3.960 0.004 0.000 0.260 48 G HA3 -0.255 3.716 3.960 0.019 0.000 0.260 48 G C -0.574 174.353 174.900 0.045 0.000 1.106 48 G CA 0.392 45.503 45.100 0.019 0.000 0.900 48 G HN 0.109 8.394 8.290 0.005 0.009 0.495 49 E N -1.426 118.811 120.200 0.061 0.000 3.108 49 E HA 0.164 4.599 4.350 0.142 0.000 0.228 49 E C -2.414 174.243 176.600 0.095 0.000 1.176 49 E CA -3.121 53.374 56.400 0.157 0.000 0.881 49 E CB 0.917 30.801 29.700 0.306 0.000 1.354 49 E HN -0.098 8.339 8.360 0.024 -0.063 0.400 50 P HA -0.022 4.282 4.420 -0.193 0.000 0.269 50 P C -1.664 175.655 177.300 0.031 0.000 1.263 50 P CA 0.231 63.292 63.100 -0.064 0.000 0.813 50 P CB -0.397 31.288 31.700 -0.025 0.000 0.868 51 Y N 0.184 120.483 120.300 -0.002 0.000 2.689 51 Y HA 0.140 4.679 4.550 -0.017 0.000 0.333 51 Y C -2.894 173.004 175.900 -0.004 0.000 1.208 51 Y CA -2.181 55.913 58.100 -0.010 0.000 1.055 51 Y CB 1.001 39.451 38.460 -0.016 0.000 1.304 51 Y HN -0.692 7.201 8.280 -0.645 0.000 0.455 52 T N 2.001 116.695 114.554 0.234 0.000 2.879 52 T HA 0.347 4.871 4.350 0.090 -0.120 0.290 52 T C -2.391 172.379 174.700 0.116 0.000 0.993 52 T CA -0.148 62.027 62.100 0.125 0.000 0.975 52 T CB 1.742 70.626 68.868 0.026 0.000 0.981 52 T HN -0.091 8.294 8.240 0.242 0.000 0.439 53 L N 6.938 128.191 121.223 0.049 0.000 2.333 53 L HA 0.957 5.490 4.340 -0.119 -0.265 0.280 53 L C -1.075 175.697 176.870 -0.163 0.000 1.004 53 L CA -2.083 52.657 54.840 -0.165 0.000 0.820 53 L CB 3.980 45.741 42.059 -0.497 0.000 1.247 53 L HN -0.334 7.966 8.230 0.117 0.000 0.416 54 G N 4.901 113.647 108.800 -0.090 0.000 2.377 54 G HA2 0.379 4.326 3.960 0.014 0.000 0.299 54 G HA3 0.379 4.428 3.960 0.096 -0.032 0.299 54 G C -2.124 172.807 174.900 0.051 0.000 1.150 54 G CA -1.172 43.941 45.100 0.022 0.000 0.847 54 G HN -0.155 8.082 8.290 -0.089 0.000 0.501 55 L N 2.049 123.378 121.223 0.176 0.000 2.438 55 L HA 0.260 4.825 4.340 0.120 -0.154 0.270 55 L C -1.129 175.934 176.870 0.322 0.000 0.972 55 L CA -1.107 53.841 54.840 0.180 0.000 0.831 55 L CB 3.096 45.230 42.059 0.124 0.000 1.273 55 L HN -0.052 8.203 8.230 0.241 0.120 0.405 56 F N 2.150 122.151 119.950 0.085 0.000 2.363 56 F HA 0.140 4.729 4.527 0.103 0.000 0.332 56 F C -1.297 174.540 175.800 0.061 0.000 1.039 56 F CA -0.514 57.528 58.000 0.069 0.000 1.127 56 F CB 2.733 41.740 39.000 0.013 0.000 1.701 56 F HN 0.361 8.913 8.300 0.309 -0.066 0.532 57 D N -5.475 114.800 120.400 -0.208 0.000 3.145 57 D HA -0.051 4.581 4.640 -0.013 0.000 0.345 57 D C -0.304 175.962 176.300 -0.056 0.000 1.391 57 D CA -1.226 52.700 54.000 -0.124 0.000 0.930 57 D CB 1.178 41.862 40.800 -0.193 0.000 1.451 57 D HN -0.510 7.486 8.370 -0.623 0.000 0.555 58 T N -0.147 114.379 114.554 -0.045 0.000 1.691 58 T HA -0.433 4.033 4.350 0.009 -0.111 0.099 58 T C 0.044 174.812 174.700 0.114 0.000 1.979 58 T CA 3.134 65.247 62.100 0.021 0.000 0.878 58 T CB -0.041 68.842 68.868 0.025 0.000 0.834 58 T HN -0.179 8.024 8.240 -0.061 0.000 0.378 59 A N -0.315 122.626 122.820 0.202 0.000 1.833 59 A HA -0.424 4.240 4.320 0.574 0.000 0.244 59 A C 0.848 178.532 177.584 0.166 0.000 1.289 59 A CA 0.324 52.562 52.037 0.335 0.000 0.735 59 A CB -1.080 18.196 19.000 0.460 0.000 1.194 59 A HN 0.132 8.384 8.150 0.170 0.000 0.272 60 G N 1.121 110.042 108.800 0.201 0.000 2.900 60 G HA2 -0.342 3.856 3.960 0.337 0.000 0.212 60 G HA3 -0.342 3.794 3.960 0.293 0.000 0.212 60 G C 0.308 175.322 174.900 0.190 0.000 1.359 60 G CA 1.079 46.330 45.100 0.250 0.000 0.800 60 G HN 0.487 9.070 8.290 0.489 0.000 0.680 61 Q N 0.730 120.367 119.800 -0.272 0.000 2.368 61 Q HA -0.236 4.075 4.340 -0.049 0.000 0.210 61 Q C 0.770 176.675 176.000 -0.157 0.000 0.982 61 Q CA 1.461 57.134 55.803 -0.218 0.000 0.884 61 Q CB -0.141 28.393 28.738 -0.339 0.000 0.933 61 Q HN -0.070 7.831 8.270 -0.615 0.000 0.460 62 E N -4.615 115.451 120.200 -0.224 0.000 2.883 62 E HA -0.318 4.093 4.350 0.101 0.000 0.271 62 E C -2.033 174.518 176.600 -0.081 0.000 1.049 62 E CA 0.931 57.307 56.400 -0.039 0.000 0.817 62 E CB -0.382 29.330 29.700 0.021 0.000 1.407 62 E HN 0.173 8.114 8.360 -0.428 0.162 0.434 63 D N -4.850 115.455 120.400 -0.157 0.000 4.570 63 D HA 0.006 4.671 4.640 0.042 0.000 0.218 63 D C -0.967 175.326 176.300 -0.013 0.000 1.436 63 D CA -0.483 53.496 54.000 -0.034 0.000 0.881 63 D CB -0.955 39.833 40.800 -0.020 0.000 1.344 63 D HN -0.378 7.695 8.370 -0.406 0.053 0.934 64 Y N -3.241 117.106 120.300 0.079 0.000 2.144 64 Y HA -0.463 4.190 4.550 0.067 -0.063 0.277 64 Y C 0.624 176.550 175.900 0.044 0.000 1.229 64 Y CA 2.163 60.301 58.100 0.065 0.000 1.144 64 Y CB -0.323 38.176 38.460 0.066 0.000 0.953 64 Y HN -0.234 7.929 8.280 -0.195 0.000 0.515 65 D N -2.771 117.746 120.400 0.196 0.000 2.325 65 D HA 0.070 4.776 4.640 0.110 0.000 0.251 65 D C 0.528 176.869 176.300 0.069 0.000 1.196 65 D CA -0.141 53.928 54.000 0.115 0.000 0.866 65 D CB -0.232 40.627 40.800 0.098 0.000 1.101 65 D HN -0.280 8.207 8.370 0.224 0.017 0.476 66 R N 3.463 123.994 120.500 0.051 0.000 2.148 66 R HA -0.300 4.055 4.340 0.024 0.000 0.227 66 R C 0.836 177.152 176.300 0.026 0.000 1.103 66 R CA 2.082 58.200 56.100 0.030 0.000 0.983 66 R CB -0.250 30.062 30.300 0.020 0.000 0.874 66 R HN 0.301 8.605 8.270 0.056 0.000 0.451 67 L N -2.509 118.732 121.223 0.030 0.000 2.089 67 L HA -0.263 4.088 4.340 0.017 0.000 0.213 67 L C 0.487 177.370 176.870 0.022 0.000 1.079 67 L CA 1.821 56.675 54.840 0.023 0.000 0.758 67 L CB -0.844 41.230 42.059 0.026 0.000 0.891 67 L HN -0.325 7.899 8.230 0.036 0.027 0.433 68 R N -1.367 119.150 120.500 0.029 0.000 2.734 68 R HA -0.002 4.352 4.340 0.023 0.000 0.266 68 R C -2.129 174.186 176.300 0.024 0.000 1.044 68 R CA -0.816 55.300 56.100 0.026 0.000 1.128 68 R CB -0.300 30.019 30.300 0.031 0.000 1.010 68 R HN -0.831 7.446 8.270 0.036 0.014 0.461 69 P HA -0.012 4.422 4.420 0.023 0.000 0.268 69 P C -0.570 176.760 177.300 0.049 0.000 1.204 69 P CA -0.029 63.090 63.100 0.032 0.000 0.768 69 P CB 0.441 32.160 31.700 0.031 0.000 0.842 70 L N 0.289 121.541 121.223 0.049 0.000 2.607 70 L HA 0.247 4.631 4.340 0.073 0.000 0.228 70 L C -0.029 176.900 176.870 0.099 0.000 1.123 70 L CA -0.150 54.728 54.840 0.064 0.000 0.890 70 L CB 0.386 42.463 42.059 0.031 0.000 1.103 70 L HN 0.111 8.363 8.230 0.036 0.000 0.468 71 S N -2.558 113.207 115.700 0.108 0.000 2.600 71 S HA 0.202 4.766 4.470 0.157 0.000 0.300 71 S C -0.360 174.389 174.600 0.249 0.000 1.087 71 S CA -0.771 57.519 58.200 0.150 0.000 0.965 71 S CB 1.732 65.000 63.200 0.114 0.000 1.089 71 S HN -0.533 7.760 8.310 0.089 0.070 0.496 72 Y N 0.490 120.822 120.300 0.053 0.000 3.001 72 Y HA -0.176 4.393 4.550 0.032 0.000 0.103 72 Y C -2.372 173.543 175.900 0.026 0.000 2.298 72 Y CA -0.936 57.183 58.100 0.033 0.000 1.132 72 Y CB -1.430 37.039 38.460 0.015 0.000 1.766 72 Y HN 0.081 8.489 8.280 0.213 0.000 0.315 73 P HA 0.191 4.577 4.420 -0.056 0.000 0.264 73 P C -0.896 176.250 177.300 -0.257 0.000 1.193 73 P CA -0.061 62.964 63.100 -0.126 0.000 0.763 73 P CB 0.968 32.630 31.700 -0.064 0.000 0.810 74 Q N 0.827 120.514 119.800 -0.189 0.000 2.220 74 Q HA 0.052 4.267 4.340 -0.210 0.000 0.205 74 Q C -1.116 174.768 176.000 -0.193 0.000 0.865 74 Q CA 0.032 55.728 55.803 -0.178 0.000 0.960 74 Q CB 1.065 29.738 28.738 -0.110 0.000 1.097 74 Q HN 0.317 8.496 8.270 -0.152 0.000 0.493 75 T N -2.627 111.769 114.554 -0.262 0.000 2.903 75 T HA 0.164 4.472 4.350 -0.259 -0.113 0.299 75 T C -1.989 172.436 174.700 -0.458 0.000 1.093 75 T CA -1.187 60.709 62.100 -0.341 0.000 1.002 75 T CB 1.529 70.156 68.868 -0.403 0.000 1.127 75 T HN -0.758 7.241 8.240 -0.265 0.081 0.488 76 D N 4.018 124.159 120.400 -0.432 0.000 2.454 76 D HA 0.286 4.689 4.640 -0.396 0.000 0.214 76 D C -0.618 175.375 176.300 -0.512 0.000 1.088 76 D CA 0.836 54.590 54.000 -0.409 0.000 0.855 76 D CB 1.518 42.169 40.800 -0.250 0.000 1.025 76 D HN 0.029 8.185 8.370 -0.357 0.000 0.502 77 V N 0.697 120.289 119.914 -0.536 0.000 2.444 77 V HA 0.184 4.089 4.120 -0.358 0.000 0.294 77 V C -1.796 174.012 176.094 -0.476 0.000 1.022 77 V CA -0.842 61.204 62.300 -0.424 0.000 0.850 77 V CB 0.775 32.446 31.823 -0.253 0.000 0.992 77 V HN -0.936 6.964 8.190 -0.484 0.000 0.426 78 F N 6.244 126.140 119.950 -0.089 0.000 2.424 78 F HA 0.152 4.650 4.527 -0.048 0.000 0.356 78 F C -0.905 174.895 175.800 -0.000 0.000 1.110 78 F CA -0.514 57.463 58.000 -0.039 0.000 1.161 78 F CB 0.843 39.838 39.000 -0.008 0.000 1.115 78 F HN -0.312 7.961 8.300 -0.044 0.000 0.507 79 L N 4.665 125.975 121.223 0.144 0.000 2.294 79 L HA 0.405 4.960 4.340 0.104 -0.153 0.283 79 L C -1.229 175.706 176.870 0.108 0.000 1.015 79 L CA -1.151 53.749 54.840 0.101 0.000 0.831 79 L CB 1.195 43.281 42.059 0.044 0.000 1.217 79 L HN -0.009 8.293 8.230 0.120 0.000 0.420 80 V N -0.306 119.675 119.914 0.113 0.000 2.407 80 V HA 0.955 5.330 4.120 0.032 -0.236 0.278 80 V C -1.306 174.844 176.094 0.093 0.000 1.037 80 V CA -3.729 58.620 62.300 0.080 0.000 0.900 80 V CB 0.665 32.545 31.823 0.094 0.000 0.983 80 V HN 0.113 8.381 8.190 0.130 0.000 0.459 81 C N 5.907 125.227 119.300 0.034 0.000 2.498 81 C HA 0.817 5.434 4.460 0.002 -0.155 0.316 81 C C -2.057 172.965 174.990 0.053 0.000 1.209 81 C CA -2.812 56.211 59.018 0.009 0.000 1.518 81 C CB 2.548 30.261 27.740 -0.046 0.000 2.147 81 C HN 0.064 8.269 8.230 -0.041 0.000 0.483 82 F N 2.364 122.302 119.950 -0.020 0.000 2.591 82 F HA 0.547 5.044 4.527 -0.049 0.000 0.309 82 F C -2.280 173.544 175.800 0.040 0.000 1.098 82 F CA -2.474 55.525 58.000 -0.002 0.000 0.937 82 F CB 2.394 41.423 39.000 0.049 0.000 1.250 82 F HN -0.296 7.707 8.300 -0.494 0.000 0.447 83 S N 0.890 116.638 115.700 0.080 0.000 2.533 83 S HA -0.099 4.430 4.470 -0.120 -0.132 0.282 83 S C 0.965 175.628 174.600 0.105 0.000 1.304 83 S CA 0.038 58.240 58.200 0.004 0.000 1.063 83 S CB 0.442 63.675 63.200 0.055 0.000 0.881 83 S HN 0.235 8.648 8.310 0.171 0.000 0.493 84 V N 5.290 125.176 119.914 -0.047 0.000 3.330 84 V HA -0.226 4.034 4.120 0.232 0.000 0.273 84 V C -1.160 174.996 176.094 0.104 0.000 1.179 84 V CA 1.251 63.587 62.300 0.061 0.000 1.174 84 V CB -1.507 30.296 31.823 -0.034 0.000 0.794 84 V HN -0.247 7.862 8.190 -0.135 0.000 0.527 85 V N -1.831 118.145 119.914 0.103 0.000 2.735 85 V HA 0.304 4.460 4.120 0.059 0.000 0.310 85 V C -2.063 174.093 176.094 0.103 0.000 1.061 85 V CA -1.693 60.653 62.300 0.076 0.000 0.913 85 V CB 3.138 34.987 31.823 0.043 0.000 1.005 85 V HN -0.992 7.160 8.190 0.107 0.102 0.428 86 S N 3.514 119.264 115.700 0.084 0.000 3.740 86 S HA -0.090 4.422 4.470 0.070 0.000 0.713 86 S C -2.171 172.507 174.600 0.130 0.000 0.505 86 S CA -0.155 58.100 58.200 0.092 0.000 1.448 86 S CB -0.904 62.350 63.200 0.090 0.000 0.874 86 S HN 0.616 8.962 8.310 0.060 0.000 1.048 87 P HA -0.236 4.321 4.420 0.228 0.000 0.229 87 P C 0.611 178.015 177.300 0.173 0.000 1.147 87 P CA 1.430 64.632 63.100 0.171 0.000 0.766 87 P CB -0.012 31.763 31.700 0.124 0.000 0.775 88 S N -0.073 115.710 115.700 0.138 0.000 2.335 88 S HA -0.198 4.333 4.470 0.101 0.000 0.216 88 S C 2.077 176.755 174.600 0.129 0.000 1.032 88 S CA 3.659 61.930 58.200 0.119 0.000 1.000 88 S CB -0.662 62.601 63.200 0.105 0.000 0.928 88 S HN 0.127 8.361 8.310 0.128 0.153 0.434 89 S N 1.584 117.380 115.700 0.160 0.000 2.382 89 S HA -0.212 4.556 4.470 0.124 -0.224 0.228 89 S C 1.854 176.524 174.600 0.116 0.000 1.027 89 S CA 2.574 60.871 58.200 0.162 0.000 0.991 89 S CB -0.180 63.149 63.200 0.216 0.000 0.823 89 S HN -0.702 7.709 8.310 0.169 0.000 0.469 90 F N 3.335 123.257 119.950 -0.046 0.000 2.084 90 F HA -0.339 3.647 4.527 -0.902 0.000 0.296 90 F C 1.192 176.823 175.800 -0.281 0.000 1.111 90 F CA 3.160 60.908 58.000 -0.420 0.000 1.224 90 F CB 0.269 39.039 39.000 -0.384 0.000 0.991 90 F HN -0.900 7.570 8.300 0.308 0.015 0.471 91 E N -2.806 117.278 120.200 -0.194 0.000 2.265 91 E HA -0.362 3.719 4.350 -0.449 0.000 0.196 91 E C 2.487 178.974 176.600 -0.188 0.000 0.996 91 E CA 2.631 58.890 56.400 -0.236 0.000 0.832 91 E CB -0.721 28.980 29.700 0.000 0.000 0.756 91 E HN -0.001 8.311 8.360 0.113 0.117 0.491 92 N N -0.061 118.594 118.700 -0.075 0.000 2.240 92 N HA -0.137 4.657 4.740 0.090 0.000 0.187 92 N C 2.024 177.635 175.510 0.168 0.000 1.042 92 N CA 2.890 56.001 53.050 0.101 0.000 0.861 92 N CB 0.359 38.998 38.487 0.254 0.000 1.026 92 N HN -0.687 7.529 8.380 -0.056 0.131 0.441 93 V N 1.863 121.764 119.914 -0.022 0.000 2.222 93 V HA -0.577 3.265 4.120 -0.462 0.000 0.252 93 V C 1.682 177.727 176.094 -0.083 0.000 1.060 93 V CA 4.531 66.719 62.300 -0.187 0.000 1.027 93 V CB -0.499 31.182 31.823 -0.236 0.000 0.644 93 V HN -0.107 8.041 8.190 -0.071 0.000 0.448 94 K N -4.222 115.997 120.400 -0.301 0.000 2.283 94 K HA -0.249 3.961 4.320 -0.185 0.000 0.202 94 K C 1.491 177.969 176.600 -0.204 0.000 1.048 94 K CA 2.609 58.715 56.287 -0.300 0.000 0.948 94 K CB -0.199 31.966 32.500 -0.559 0.000 0.742 94 K HN -0.494 7.453 8.250 -0.505 0.000 0.458 95 E N -1.968 118.135 120.200 -0.161 0.000 2.182 95 E HA -0.074 4.204 4.350 -0.120 0.000 0.195 95 E C 0.929 177.514 176.600 -0.025 0.000 0.933 95 E CA 1.213 57.551 56.400 -0.103 0.000 0.940 95 E CB 0.827 30.455 29.700 -0.120 0.000 0.945 95 E HN -0.272 7.830 8.360 -0.174 0.154 0.477 96 K N -2.422 118.004 120.400 0.043 0.000 2.097 96 K HA -0.163 4.119 4.320 -0.063 0.000 0.205 96 K C 2.535 179.096 176.600 -0.065 0.000 1.050 96 K CA 2.612 58.891 56.287 -0.013 0.000 0.938 96 K CB 0.292 32.777 32.500 -0.025 0.000 0.718 96 K HN 0.084 8.279 8.250 0.067 0.096 0.442 97 W N -2.167 119.090 121.300 -0.072 0.000 2.523 97 W HA 0.009 4.799 4.660 -0.031 -0.149 0.278 97 W C 1.659 178.126 176.519 -0.086 0.000 1.236 97 W CA 3.054 60.367 57.345 -0.053 0.000 1.306 97 W CB -0.402 29.041 29.460 -0.029 0.000 1.101 97 W HN -0.532 7.986 8.180 0.562 0.000 0.577 98 V N 0.909 120.885 119.914 0.104 0.000 2.250 98 V HA -0.482 3.632 4.120 -0.011 0.000 0.253 98 V C -0.719 175.308 176.094 -0.111 0.000 1.065 98 V CA 6.771 69.056 62.300 -0.025 0.000 1.039 98 V CB -2.824 28.950 31.823 -0.081 0.000 0.647 98 V HN -0.382 7.882 8.190 0.123 0.000 0.446 99 P HA -0.164 4.007 4.420 -0.415 0.000 0.217 99 P C 2.052 179.065 177.300 -0.479 0.000 1.150 99 P CA 2.899 65.790 63.100 -0.348 0.000 0.832 99 P CB -0.521 31.047 31.700 -0.220 0.000 0.787 100 E N -1.599 118.505 120.200 -0.161 0.000 2.077 100 E HA -0.278 4.144 4.350 0.119 0.000 0.193 100 E C 2.643 179.302 176.600 0.098 0.000 0.989 100 E CA 3.041 59.441 56.400 -0.001 0.000 0.800 100 E CB -0.446 29.245 29.700 -0.014 0.000 0.746 100 E HN -0.798 7.392 8.360 -0.110 0.104 0.452 101 I N -2.118 118.468 120.570 0.025 0.000 2.353 101 I HA -0.277 3.934 4.170 0.068 0.000 0.248 101 I C 2.202 178.263 176.117 -0.092 0.000 1.119 101 I CA 3.265 64.532 61.300 -0.054 0.000 1.417 101 I CB 0.240 38.080 38.000 -0.266 0.000 1.078 101 I HN 0.055 8.171 8.210 -0.015 0.085 0.421 102 T N -0.633 113.818 114.554 -0.172 0.000 2.788 102 T HA -0.309 3.984 4.350 -0.096 0.000 0.268 102 T C 2.439 177.072 174.700 -0.111 0.000 1.044 102 T CA 3.290 65.290 62.100 -0.165 0.000 1.139 102 T CB -0.460 68.270 68.868 -0.230 0.000 0.867 102 T HN 0.154 8.198 8.240 -0.205 0.073 0.454 103 H N 1.209 120.252 119.070 -0.046 0.000 2.387 103 H HA -0.265 4.241 4.556 -0.083 0.000 0.299 103 H C 2.221 177.466 175.328 -0.139 0.000 1.099 103 H CA 2.535 58.513 56.048 -0.117 0.000 1.315 103 H CB -0.826 28.817 29.762 -0.197 0.000 1.380 103 H HN -0.134 7.877 8.280 -0.428 0.012 0.513 104 H N -2.119 116.976 119.070 0.041 0.000 2.352 104 H HA -0.256 4.331 4.556 0.051 0.000 0.299 104 H C 0.686 176.030 175.328 0.027 0.000 1.097 104 H CA 2.827 58.890 56.048 0.025 0.000 1.311 104 H CB 0.459 30.217 29.762 -0.007 0.000 1.377 104 H HN -0.345 7.893 8.280 0.107 0.106 0.504 105 C N -4.946 114.425 119.300 0.119 0.000 3.170 105 C HA 0.351 4.855 4.460 0.074 0.000 0.319 105 C C -2.783 172.236 174.990 0.049 0.000 1.260 105 C CA -3.697 55.368 59.018 0.079 0.000 1.374 105 C CB 2.249 30.047 27.740 0.096 0.000 1.739 105 C HN -0.555 7.727 8.230 0.087 0.000 0.479 106 P HA -0.196 4.249 4.420 0.041 0.000 0.206 106 P C -0.402 176.935 177.300 0.061 0.000 1.142 106 P CA 1.503 64.630 63.100 0.044 0.000 0.946 106 P CB 0.279 32.002 31.700 0.038 0.000 0.777 107 K N -4.374 116.063 120.400 0.062 0.000 2.498 107 K HA 0.204 4.636 4.320 0.188 0.000 0.254 107 K C -1.534 175.050 176.600 -0.027 0.000 0.933 107 K CA -0.693 55.654 56.287 0.100 0.000 0.806 107 K CB 3.163 35.748 32.500 0.141 0.000 1.301 107 K HN -0.098 8.178 8.250 0.043 0.000 0.432 108 T N -1.821 112.588 114.554 -0.243 0.000 2.853 108 T HA 0.263 4.453 4.350 -0.267 0.000 0.311 108 T C -2.829 171.162 174.700 -1.183 0.000 1.307 108 T CA -3.161 58.688 62.100 -0.419 0.000 1.019 108 T CB 1.098 69.914 68.868 -0.087 0.000 1.264 108 T HN -0.010 8.091 8.240 -0.233 0.000 0.497 109 P HA -0.078 3.929 4.420 -0.687 0.000 0.261 109 P C -1.808 175.096 177.300 -0.660 0.000 1.183 109 P CA -0.196 62.492 63.100 -0.686 0.000 0.761 109 P CB -0.128 31.406 31.700 -0.277 0.000 0.785 110 F N 0.151 120.126 119.950 0.043 0.000 2.477 110 F HA 0.417 5.139 4.527 0.121 -0.122 0.335 110 F C -0.510 175.289 175.800 -0.001 0.000 1.130 110 F CA -2.732 55.302 58.000 0.057 0.000 0.948 110 F CB 2.067 41.090 39.000 0.040 0.000 1.154 110 F HN -0.580 7.768 8.300 0.081 0.000 0.439 111 L N 3.285 124.611 121.223 0.172 0.000 2.275 111 L HA 0.361 4.708 4.340 0.011 0.000 0.288 111 L C -1.684 175.237 176.870 0.085 0.000 1.046 111 L CA -0.834 54.045 54.840 0.064 0.000 0.805 111 L CB 1.468 43.532 42.059 0.008 0.000 1.193 111 L HN 0.273 8.607 8.230 0.173 0.000 0.426 112 L N 4.070 125.323 121.223 0.049 0.000 2.275 112 L HA 0.231 4.663 4.340 0.155 0.000 0.288 112 L C -1.631 175.308 176.870 0.114 0.000 1.046 112 L CA -0.339 54.573 54.840 0.120 0.000 0.805 112 L CB 1.100 43.249 42.059 0.149 0.000 1.193 112 L HN 0.173 8.386 8.230 -0.029 0.000 0.426 113 V N 4.714 124.705 119.914 0.128 0.000 3.206 113 V HA 0.592 4.938 4.120 0.021 -0.213 0.305 113 V C -0.492 175.495 176.094 -0.179 0.000 1.257 113 V CA -1.991 60.318 62.300 0.016 0.000 1.057 113 V CB 4.947 36.773 31.823 0.004 0.000 1.075 113 V HN 0.192 8.493 8.190 0.184 0.000 0.443 114 G N -0.310 108.283 108.800 -0.346 0.000 2.680 114 G HA2 0.551 4.089 3.960 -1.053 0.000 0.290 114 G HA3 0.551 3.934 3.960 -0.917 0.027 0.290 114 G C -2.771 171.917 174.900 -0.354 0.000 1.355 114 G CA -1.248 43.420 45.100 -0.720 0.000 0.903 114 G HN -0.097 8.074 8.290 -0.198 0.000 0.474 115 T N -2.083 112.279 114.554 -0.321 0.000 2.910 115 T HA 0.694 5.223 4.350 -0.120 -0.251 0.287 115 T C -0.179 174.453 174.700 -0.114 0.000 1.050 115 T CA -2.699 59.309 62.100 -0.154 0.000 1.011 115 T CB 2.835 71.643 68.868 -0.100 0.000 1.195 115 T HN 0.168 8.013 8.240 -0.433 0.136 0.540 116 Q N 0.219 119.980 119.800 -0.065 0.000 2.337 116 Q HA -0.473 3.847 4.340 -0.034 0.000 0.285 116 Q C -0.399 175.573 176.000 -0.046 0.000 1.144 116 Q CA 1.289 57.066 55.803 -0.042 0.000 0.931 116 Q CB -2.162 26.560 28.738 -0.026 0.000 1.301 116 Q HN 0.586 8.823 8.270 -0.056 0.000 0.526 117 I N -2.440 118.090 120.570 -0.066 0.000 4.907 117 I HA -0.574 3.543 4.170 -0.089 0.000 0.038 117 I C -0.744 175.347 176.117 -0.043 0.000 0.636 117 I CA 2.642 63.905 61.300 -0.062 0.000 0.255 117 I CB 0.163 38.141 38.000 -0.037 0.000 0.349 117 I HN -0.818 7.302 8.210 -0.078 0.043 0.165 118 D N 2.434 122.820 120.400 -0.025 0.000 2.608 118 D HA 0.039 4.675 4.640 -0.005 0.000 0.224 118 D C -1.142 175.155 176.300 -0.005 0.000 1.123 118 D CA -0.018 53.976 54.000 -0.010 0.000 1.030 118 D CB -2.046 38.749 40.800 -0.007 0.000 1.093 118 D HN 0.168 8.524 8.370 -0.023 0.000 0.497 119 L N -0.578 120.642 121.223 -0.004 0.000 2.895 119 L HA -0.400 3.941 4.340 0.002 0.000 0.661 119 L C -1.461 175.405 176.870 -0.005 0.000 1.020 119 L CA 0.290 55.130 54.840 -0.000 0.000 1.342 119 L CB 0.103 42.165 42.059 0.005 0.000 1.851 119 L HN -0.024 8.152 8.230 -0.006 0.051 0.881 120 R N 2.469 122.963 120.500 -0.009 0.000 1.532 120 R HA -0.484 3.847 4.340 -0.015 0.000 0.182 120 R C -1.634 174.660 176.300 -0.009 0.000 0.534 120 R CA 1.770 57.863 56.100 -0.011 0.000 0.334 120 R CB -1.049 29.245 30.300 -0.010 0.000 1.580 120 R HN 0.087 8.351 8.270 -0.010 0.000 0.572 121 D N -0.253 120.141 120.400 -0.009 0.000 3.496 121 D HA -0.034 4.601 4.640 -0.007 0.000 0.085 121 D C -0.740 175.556 176.300 -0.007 0.000 1.629 121 D CA 0.458 54.454 54.000 -0.007 0.000 0.603 121 D CB 0.519 41.316 40.800 -0.005 0.000 3.216 121 D HN -0.065 8.300 8.370 -0.012 -0.003 0.220 122 D N -2.390 118.006 120.400 -0.005 0.000 1.959 122 D HA -0.140 4.593 4.640 -0.005 -0.095 0.238 122 D C -2.301 173.996 176.300 -0.004 0.000 1.038 122 D CA 2.275 56.272 54.000 -0.005 0.000 1.454 122 D CB -2.045 38.751 40.800 -0.007 0.000 1.425 122 D HN 0.000 8.368 8.370 -0.004 0.000 0.702 123 P HA 0.068 4.486 4.420 -0.003 0.000 0.221 123 P C -0.091 177.208 177.300 -0.002 0.000 1.152 123 P CA 1.816 64.914 63.100 -0.003 0.000 0.851 123 P CB 0.251 31.949 31.700 -0.003 0.000 0.833 124 S N -4.787 110.912 115.700 -0.002 0.000 2.556 124 S HA 0.039 4.508 4.470 -0.001 0.000 0.216 124 S C 0.665 175.264 174.600 -0.001 0.000 0.970 124 S CA 1.777 59.976 58.200 -0.002 0.000 0.912 124 S CB -0.668 62.531 63.200 -0.002 0.000 0.790 124 S HN 0.046 8.355 8.310 -0.003 0.000 0.504 125 T N 0.689 115.242 114.554 -0.001 0.000 2.985 125 T HA 0.106 4.456 4.350 0.001 0.000 0.254 125 T C 0.893 175.594 174.700 0.001 0.000 1.021 125 T CA 0.490 62.590 62.100 0.000 0.000 0.957 125 T CB -0.171 68.697 68.868 0.000 0.000 1.047 125 T HN -0.182 7.998 8.240 -0.002 0.059 0.511 126 I N 1.425 121.995 120.570 -0.000 0.000 2.494 126 I HA -0.325 3.845 4.170 0.000 0.000 0.250 126 I C 0.594 176.711 176.117 -0.000 0.000 1.112 126 I CA 2.704 64.003 61.300 -0.001 0.000 1.438 126 I CB 0.328 38.327 38.000 -0.002 0.000 1.111 126 I HN -0.375 7.835 8.210 -0.001 0.000 0.431 127 E N -1.406 118.794 120.200 -0.001 0.000 2.152 127 E HA -0.301 4.049 4.350 -0.000 0.000 0.192 127 E C 1.774 178.374 176.600 0.000 0.000 0.983 127 E CA 2.706 59.106 56.400 -0.000 0.000 0.818 127 E CB -0.405 29.295 29.700 -0.001 0.000 0.758 127 E HN -0.442 7.917 8.360 -0.001 0.000 0.467 128 K N -2.656 117.744 120.400 0.001 0.000 2.155 128 K HA -0.197 4.123 4.320 0.001 0.000 0.203 128 K C 1.472 178.074 176.600 0.002 0.000 1.052 128 K CA 1.693 57.981 56.287 0.001 0.000 0.948 128 K CB -0.165 32.336 32.500 0.001 0.000 0.728 128 K HN -0.211 8.039 8.250 0.000 0.000 0.448 129 L N -2.420 118.805 121.223 0.003 0.000 2.141 129 L HA -0.186 4.157 4.340 0.005 0.000 0.209 129 L C -0.555 176.317 176.870 0.004 0.000 1.094 129 L CA 1.129 55.971 54.840 0.004 0.000 0.763 129 L CB 0.602 42.664 42.059 0.005 0.000 0.908 129 L HN -0.673 7.558 8.230 0.002 0.000 0.437 130 A N -6.092 116.729 122.820 0.002 0.000 2.434 130 A HA -0.250 4.071 4.320 0.002 0.000 0.686 130 A C 0.250 177.835 177.584 0.001 0.000 0.138 130 A CA -0.292 51.746 52.037 0.002 0.000 0.026 130 A CB -0.748 18.254 19.000 0.003 0.000 3.973 130 A HN -0.782 7.351 8.150 0.002 0.018 0.548 131 K N 2.158 122.558 120.400 0.000 0.000 2.127 131 K HA -0.526 3.793 4.320 -0.001 0.000 0.208 131 K C 0.556 177.156 176.600 -0.001 0.000 1.047 131 K CA 3.112 59.398 56.287 -0.001 0.000 0.927 131 K CB -0.147 32.352 32.500 -0.001 0.000 0.716 131 K HN 0.505 8.755 8.250 0.000 0.000 0.450 132 N N -4.831 113.870 118.700 0.001 0.000 2.461 132 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 132 N C 0.183 175.694 175.510 0.002 0.000 1.134 132 N CA 0.865 53.916 53.050 0.001 0.000 0.878 132 N CB -0.705 37.783 38.487 0.002 0.000 0.972 132 N HN 0.085 8.451 8.380 0.001 0.014 0.456 133 K N -0.035 120.367 120.400 0.003 0.000 2.373 133 K HA 0.098 4.421 4.320 0.006 0.000 0.200 133 K C 0.442 177.044 176.600 0.004 0.000 1.054 133 K CA 0.059 56.348 56.287 0.005 0.000 1.065 133 K CB 0.459 32.962 32.500 0.006 0.000 0.886 133 K HN 0.102 8.127 8.250 0.002 0.226 0.546 134 Q N -1.977 117.824 119.800 0.001 0.000 2.112 134 Q HA -0.282 4.058 4.340 0.001 0.000 0.206 134 Q C 0.129 176.127 176.000 -0.003 0.000 0.987 134 Q CA 2.199 58.001 55.803 -0.001 0.000 0.858 134 Q CB 0.419 29.154 28.738 -0.004 0.000 0.905 134 Q HN -0.588 7.575 8.270 0.000 0.107 0.420 135 K N -4.039 116.358 120.400 -0.005 0.000 3.679 135 K HA -0.292 4.020 4.320 -0.013 0.000 0.274 135 K C -2.313 174.274 176.600 -0.021 0.000 0.839 135 K CA -0.597 55.684 56.287 -0.010 0.000 0.663 135 K CB -1.655 30.844 32.500 -0.002 0.000 1.638 135 K HN 0.220 8.459 8.250 -0.004 0.009 0.443 136 P HA -0.084 4.319 4.420 -0.028 0.000 0.268 136 P C -0.953 176.296 177.300 -0.084 0.000 1.205 136 P CA 0.253 63.329 63.100 -0.040 0.000 0.771 136 P CB 0.606 32.286 31.700 -0.032 0.000 0.858 137 I N 2.459 122.956 120.570 -0.123 0.000 2.979 137 I HA 0.285 4.284 4.170 -0.285 0.000 0.337 137 I C -1.895 174.013 176.117 -0.348 0.000 1.453 137 I CA -0.933 60.187 61.300 -0.300 0.000 0.891 137 I CB 0.719 38.473 38.000 -0.410 0.000 1.887 137 I HN 0.217 8.383 8.210 -0.074 0.000 0.546 138 T N -1.999 112.466 114.554 -0.149 0.000 3.409 138 T HA 0.345 4.673 4.350 -0.036 0.000 0.242 138 T C -0.036 174.652 174.700 -0.021 0.000 1.000 138 T CA 0.850 62.926 62.100 -0.040 0.000 1.180 138 T CB -2.071 66.823 68.868 0.043 0.000 1.210 138 T HN -0.590 7.584 8.240 -0.110 0.000 0.373 139 P HA -0.286 4.133 4.420 -0.002 0.000 0.216 139 P C 0.229 177.522 177.300 -0.012 0.000 1.062 139 P CA 2.569 65.662 63.100 -0.013 0.000 0.995 139 P CB -0.316 31.371 31.700 -0.023 0.000 0.762 140 E N -6.739 113.446 120.200 -0.025 0.000 2.364 140 E HA 0.129 4.476 4.350 -0.006 0.000 0.203 140 E C 1.667 178.260 176.600 -0.013 0.000 0.888 140 E CA 1.109 57.500 56.400 -0.015 0.000 0.989 140 E CB 0.397 30.087 29.700 -0.016 0.000 0.985 140 E HN 0.002 8.339 8.360 -0.039 0.000 0.499 141 T N 3.006 117.525 114.554 -0.057 0.000 2.720 141 T HA -0.229 4.109 4.350 -0.020 0.000 0.268 141 T C 1.556 176.246 174.700 -0.017 0.000 1.037 141 T CA 4.151 66.202 62.100 -0.081 0.000 1.144 141 T CB -0.618 68.114 68.868 -0.228 0.000 0.864 141 T HN 0.140 8.335 8.240 -0.076 0.000 0.444 142 A N 1.084 123.872 122.820 -0.053 0.000 1.930 142 A HA -0.339 4.230 4.320 0.415 0.000 0.217 142 A C 1.778 179.485 177.584 0.205 0.000 1.175 142 A CA 3.106 55.247 52.037 0.174 0.000 0.627 142 A CB -0.608 18.526 19.000 0.223 0.000 0.815 142 A HN -0.429 7.549 8.150 -0.105 0.109 0.443 143 E N -1.692 118.583 120.200 0.124 0.000 2.110 143 E HA -0.472 3.969 4.350 0.152 0.000 0.193 143 E C 2.167 178.821 176.600 0.090 0.000 0.988 143 E CA 2.910 59.374 56.400 0.107 0.000 0.804 143 E CB -0.438 29.289 29.700 0.044 0.000 0.745 143 E HN -0.083 8.246 8.360 0.080 0.079 0.458 144 K N 0.240 120.688 120.400 0.079 0.000 2.002 144 K HA -0.293 4.052 4.320 0.042 0.000 0.209 144 K C 2.454 179.090 176.600 0.060 0.000 1.048 144 K CA 3.262 59.586 56.287 0.061 0.000 0.930 144 K CB -0.115 32.419 32.500 0.057 0.000 0.714 144 K HN -0.432 7.850 8.250 0.078 0.015 0.438 145 L N -2.397 118.884 121.223 0.096 0.000 2.131 145 L HA -0.319 4.020 4.340 -0.001 0.000 0.210 145 L C 2.236 179.103 176.870 -0.006 0.000 1.092 145 L CA 2.899 57.757 54.840 0.030 0.000 0.759 145 L CB -0.512 41.547 42.059 0.001 0.000 0.903 145 L HN -0.734 7.595 8.230 0.164 0.000 0.435 146 A N -1.559 121.287 122.820 0.045 0.000 1.898 146 A HA -0.228 4.071 4.320 -0.034 0.000 0.216 146 A C 2.752 180.338 177.584 0.004 0.000 1.181 146 A CA 2.831 54.883 52.037 0.026 0.000 0.620 146 A CB -0.640 18.434 19.000 0.123 0.000 0.819 146 A HN -0.367 7.741 8.150 0.098 0.102 0.442 147 R N -2.730 117.790 120.500 0.033 0.000 2.096 147 R HA -0.295 4.063 4.340 0.030 0.000 0.235 147 R C 1.280 177.572 176.300 -0.012 0.000 1.127 147 R CA 1.813 57.925 56.100 0.020 0.000 0.968 147 R CB -0.645 29.671 30.300 0.028 0.000 0.861 147 R HN -0.086 8.143 8.270 0.054 0.074 0.440 148 D N -2.652 117.735 120.400 -0.022 0.000 2.203 148 D HA -0.222 4.402 4.640 -0.028 0.000 0.199 148 D C 0.175 176.435 176.300 -0.067 0.000 0.997 148 D CA 2.308 56.284 54.000 -0.040 0.000 0.863 148 D CB 0.384 41.154 40.800 -0.050 0.000 0.928 148 D HN -0.377 7.874 8.370 -0.011 0.113 0.458 149 L N -4.631 116.533 121.223 -0.099 0.000 2.726 149 L HA 0.204 4.471 4.340 -0.122 0.000 0.220 149 L C -1.142 175.648 176.870 -0.132 0.000 1.692 149 L CA -0.147 54.601 54.840 -0.154 0.000 2.831 149 L CB 2.297 44.186 42.059 -0.283 0.000 2.626 149 L HN -0.649 7.365 8.230 -0.089 0.163 0.786 150 K N -0.701 119.561 120.400 -0.231 0.000 2.938 150 K HA 0.052 4.359 4.320 -0.022 0.000 0.222 150 K C -1.002 175.514 176.600 -0.141 0.000 1.423 150 K CA -0.269 55.957 56.287 -0.103 0.000 0.796 150 K CB -0.360 32.143 32.500 0.005 0.000 1.293 150 K HN -0.078 7.923 8.250 -0.415 0.000 0.501 151 A N 2.870 125.599 122.820 -0.152 0.000 3.291 151 A HA -0.185 4.063 4.320 -0.120 0.000 0.157 151 A C -0.325 177.421 177.584 0.268 0.000 0.779 151 A CA 1.924 53.975 52.037 0.023 0.000 1.190 151 A CB 0.096 19.101 19.000 0.009 0.000 0.838 151 A HN 0.009 8.085 8.150 -0.123 0.000 0.524 152 V N -4.104 115.838 119.914 0.047 0.000 4.518 152 V HA -0.110 4.004 4.120 -0.009 0.000 0.148 152 V C -0.734 175.068 176.094 -0.486 0.000 1.333 152 V CA 1.633 63.887 62.300 -0.078 0.000 1.088 152 V CB 1.598 33.416 31.823 -0.009 0.000 1.192 152 V HN -0.199 7.967 8.190 -0.040 0.000 0.625 153 K N -0.821 119.261 120.400 -0.530 0.000 2.502 153 K HA 0.243 3.773 4.320 -1.318 0.000 0.252 153 K C -2.236 173.750 176.600 -1.025 0.000 1.043 153 K CA -0.821 54.936 56.287 -0.883 0.000 0.999 153 K CB 2.200 34.526 32.500 -0.290 0.000 1.343 153 K HN -0.335 7.760 8.250 -0.258 0.000 0.513 154 Y N -6.245 114.106 120.300 0.084 0.000 2.241 154 Y HA 0.221 4.844 4.550 0.122 0.000 0.320 154 Y C -1.847 174.100 175.900 0.080 0.000 1.206 154 Y CA -1.209 56.948 58.100 0.095 0.000 1.370 154 Y CB -0.929 37.582 38.460 0.084 0.000 1.257 154 Y HN -0.121 8.145 8.280 -0.023 0.000 0.403 155 V N 1.838 121.889 119.914 0.229 0.000 3.208 155 V HA 0.249 4.457 4.120 0.146 0.000 0.302 155 V C -2.429 173.702 176.094 0.062 0.000 1.690 155 V CA -1.570 60.817 62.300 0.145 0.000 0.999 155 V CB 3.410 35.312 31.823 0.132 0.000 1.073 155 V HN -0.364 7.942 8.190 0.193 0.000 0.483 156 E N -0.576 119.632 120.200 0.014 0.000 2.447 156 E HA 0.464 4.857 4.350 -0.131 -0.121 0.258 156 E C -2.162 174.416 176.600 -0.036 0.000 0.916 156 E CA -1.499 54.860 56.400 -0.068 0.000 0.846 156 E CB 3.449 33.091 29.700 -0.096 0.000 1.517 156 E HN 0.367 8.749 8.360 0.035 0.000 0.418 157 C N -2.296 116.967 119.300 -0.061 0.000 3.135 157 C HA 0.196 4.613 4.460 -0.001 0.043 0.428 157 C C -2.328 172.641 174.990 -0.034 0.000 0.972 157 C CA -1.009 57.997 59.018 -0.020 0.000 1.218 157 C CB 1.683 29.430 27.740 0.011 0.000 1.595 157 C HN -0.468 7.697 8.230 -0.109 0.000 0.576 158 S N 5.444 121.132 115.700 -0.020 0.000 2.317 158 S HA 0.016 4.474 4.470 -0.020 0.000 0.208 158 S C -0.535 174.056 174.600 -0.014 0.000 0.849 158 S CA 0.355 58.541 58.200 -0.023 0.000 1.042 158 S CB 0.393 63.570 63.200 -0.039 0.000 1.316 158 S HN 0.071 8.445 8.310 -0.009 -0.069 0.386 159 A N 5.571 128.386 122.820 -0.009 0.000 2.681 159 A HA -0.369 4.161 4.320 -0.009 -0.216 0.311 159 A C -2.074 175.506 177.584 -0.007 0.000 1.522 159 A CA 1.739 53.771 52.037 -0.009 0.000 0.910 159 A CB -1.012 17.982 19.000 -0.011 0.000 0.965 159 A HN 0.711 8.858 8.150 -0.006 0.000 0.468 160 L N -5.687 115.534 121.223 -0.004 0.000 1.711 160 L HA 0.027 4.366 4.340 -0.001 0.000 0.094 160 L C -0.522 176.351 176.870 0.005 0.000 1.533 160 L CA 1.895 56.734 54.840 -0.002 0.000 1.057 160 L CB 0.303 42.359 42.059 -0.006 0.000 2.093 160 L HN -0.361 7.817 8.230 -0.002 0.050 0.445 161 T N 0.322 114.877 114.554 0.002 0.000 3.118 161 T HA -0.008 4.351 4.350 0.015 0.000 0.269 161 T C 1.733 176.448 174.700 0.026 0.000 1.166 161 T CA 1.734 63.840 62.100 0.010 0.000 1.073 161 T CB -0.552 68.314 68.868 -0.003 0.000 0.884 161 T HN 0.063 8.299 8.240 -0.007 0.000 0.550 162 Q N -2.130 117.686 119.800 0.027 0.000 2.401 162 Q HA -0.216 4.164 4.340 0.067 0.000 0.202 162 Q C -0.427 175.610 176.000 0.062 0.000 0.914 162 Q CA 0.835 56.669 55.803 0.052 0.000 1.006 162 Q CB -2.243 26.519 28.738 0.039 0.000 1.041 162 Q HN 0.399 8.610 8.270 0.016 0.069 0.501 163 K N -1.685 118.748 120.400 0.054 0.000 2.404 163 K HA -0.009 4.345 4.320 0.056 0.000 0.194 163 K C 0.205 176.850 176.600 0.076 0.000 1.023 163 K CA 0.366 56.688 56.287 0.058 0.000 1.094 163 K CB 0.208 32.735 32.500 0.044 0.000 0.841 163 K HN 0.208 8.241 8.250 0.046 0.244 0.523 164 G N -1.739 107.113 108.800 0.087 0.000 2.621 164 G HA2 0.160 4.178 3.960 0.097 0.000 0.209 164 G HA3 0.160 4.173 3.960 0.089 0.000 0.209 164 G C -0.320 174.657 174.900 0.129 0.000 1.379 164 G CA 0.201 45.359 45.100 0.098 0.000 0.766 164 G HN -0.587 7.650 8.290 0.083 0.103 0.599 165 L N 0.186 121.492 121.223 0.138 0.000 2.468 165 L HA -0.467 3.977 4.340 0.173 0.000 0.225 165 L C 1.594 178.670 176.870 0.342 0.000 1.139 165 L CA 2.169 57.135 54.840 0.210 0.000 0.792 165 L CB -0.278 41.908 42.059 0.210 0.000 0.916 165 L HN 0.203 8.498 8.230 0.108 0.000 0.446 166 K N -1.568 118.987 120.400 0.258 0.000 2.044 166 K HA -0.244 4.292 4.320 0.360 0.000 0.204 166 K C 1.574 178.320 176.600 0.244 0.000 1.045 166 K CA 2.850 59.296 56.287 0.265 0.000 0.951 166 K CB -0.289 32.304 32.500 0.155 0.000 0.738 166 K HN -0.125 8.204 8.250 0.183 0.031 0.443 167 N N -1.566 117.238 118.700 0.174 0.000 2.521 167 N HA -0.132 4.694 4.740 0.144 0.000 0.188 167 N C 1.496 177.087 175.510 0.134 0.000 1.146 167 N CA 1.980 55.114 53.050 0.141 0.000 0.893 167 N CB -0.085 38.463 38.487 0.101 0.000 0.975 167 N HN -0.048 8.340 8.380 0.151 0.083 0.451 168 V N 0.729 120.746 119.914 0.172 0.000 2.331 168 V HA -0.302 3.837 4.120 0.032 0.000 0.242 168 V C 1.150 177.287 176.094 0.072 0.000 1.034 168 V CA 4.093 66.447 62.300 0.089 0.000 1.027 168 V CB -0.506 31.358 31.823 0.068 0.000 0.667 168 V HN -0.065 8.128 8.190 0.235 0.138 0.457 169 F N -1.194 118.772 119.950 0.027 0.000 2.106 169 F HA -0.578 3.974 4.527 0.042 0.000 0.299 169 F C 1.865 177.668 175.800 0.004 0.000 1.082 169 F CA 4.338 62.384 58.000 0.077 0.000 1.244 169 F CB -0.526 38.534 39.000 0.099 0.000 0.997 169 F HN -0.782 7.857 8.300 0.565 0.000 0.486 170 D N -3.196 117.341 120.400 0.228 0.000 2.117 170 D HA -0.260 4.396 4.640 0.027 0.000 0.198 170 D C 2.598 178.771 176.300 -0.211 0.000 0.982 170 D CA 2.810 56.827 54.000 0.027 0.000 0.828 170 D CB -0.193 40.681 40.800 0.123 0.000 0.967 170 D HN -0.133 8.402 8.370 0.289 0.009 0.464 171 E N -0.352 119.773 120.200 -0.125 0.000 2.268 171 E HA -0.243 4.031 4.350 -0.126 0.000 0.195 171 E C 1.943 178.400 176.600 -0.239 0.000 0.995 171 E CA 1.940 58.252 56.400 -0.145 0.000 0.836 171 E CB -0.573 29.078 29.700 -0.083 0.000 0.763 171 E HN 0.075 8.304 8.360 -0.039 0.108 0.491 172 A N -0.247 122.372 122.820 -0.335 0.000 1.940 172 A HA -0.218 3.930 4.320 -0.286 0.000 0.219 172 A C 1.779 179.106 177.584 -0.428 0.000 1.176 172 A CA 2.985 54.794 52.037 -0.380 0.000 0.631 172 A CB -0.821 17.921 19.000 -0.430 0.000 0.814 172 A HN 0.497 8.304 8.150 -0.312 0.157 0.446 173 I N -1.858 118.312 120.570 -0.667 0.000 2.361 173 I HA -0.407 3.525 4.170 -0.396 0.000 0.251 173 I C 0.974 176.939 176.117 -0.255 0.000 1.133 173 I CA 2.725 63.729 61.300 -0.494 0.000 1.413 173 I CB 0.174 37.840 38.000 -0.558 0.000 1.073 173 I HN -0.730 6.921 8.210 -0.917 0.008 0.424 174 L N -0.611 120.475 121.223 -0.227 0.000 2.093 174 L HA -0.264 4.007 4.340 -0.115 0.000 0.208 174 L C 0.967 177.758 176.870 -0.133 0.000 1.085 174 L CA 2.951 57.706 54.840 -0.143 0.000 0.755 174 L CB -0.552 41.436 42.059 -0.117 0.000 0.904 174 L HN -0.776 7.157 8.230 -0.273 0.133 0.435 175 A N -2.327 120.397 122.820 -0.160 0.000 1.969 175 A HA -0.340 3.901 4.320 -0.131 0.000 0.218 175 A C 1.606 179.110 177.584 -0.134 0.000 1.169 175 A CA 2.485 54.432 52.037 -0.148 0.000 0.635 175 A CB -1.008 17.888 19.000 -0.173 0.000 0.810 175 A HN -0.810 7.115 8.150 -0.193 0.109 0.445 176 A N -1.933 120.804 122.820 -0.138 0.000 1.978 176 A HA -0.252 4.004 4.320 -0.106 0.000 0.220 176 A C 1.693 179.228 177.584 -0.082 0.000 1.170 176 A CA 2.472 54.445 52.037 -0.106 0.000 0.636 176 A CB -0.572 18.371 19.000 -0.094 0.000 0.810 176 A HN -0.404 7.533 8.150 -0.166 0.113 0.448 177 L N -2.862 118.313 121.223 -0.080 0.000 2.079 177 L HA -0.229 4.141 4.340 -0.049 -0.060 0.210 177 L C 0.295 177.130 176.870 -0.058 0.000 1.081 177 L CA 2.094 56.898 54.840 -0.060 0.000 0.752 177 L CB 0.194 42.219 42.059 -0.057 0.000 0.896 177 L HN -0.603 7.445 8.230 -0.095 0.125 0.433 178 E N 0.000 120.158 120.200 -0.071 0.000 2.725 178 E HA 0.000 4.317 4.350 -0.055 0.000 0.291 178 E CA 0.000 56.359 56.400 -0.068 0.000 0.976 178 E CB 0.000 29.652 29.700 -0.081 0.000 0.812 178 E HN 0.000 8.187 8.360 -0.083 0.123 0.440