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 1o5d_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVGGKVcPKG EcPWQVLLLV XNGAQLcGGT LINTIWVVSA AHcFNWRNLI DATA SEQUENCE AVLGEHDLSE HDGDEQSRRV AQVIIPSTYV PGTTNHDIAL LRLHQPVVLT DATA SEQUENCE DHVVPLCLPE RTFVXXXXRF SLVSGWGQLL DRXGATALEL MVLNVPRLMT DATA SEQUENCE QDcLPXXXXN ITEYMFcAYS DGKDScKGDS GGPHATHYRG TWYLTGIVSW DATA SEQUENCE GQXGcTVGHF GVYTRVSQYI EWLQKLMRSE PRPGVLLRAP FP 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 16 I HA 0.000 4.192 4.170 0.037 0.000 0.288 16 I C 0.000 176.124 176.117 0.011 0.000 1.063 16 I CA 0.000 61.309 61.300 0.016 0.000 1.566 16 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 17 V N 4.608 124.534 119.914 0.019 0.000 2.435 17 V HA 0.348 4.648 4.120 -0.002 -0.181 0.290 17 V C 0.796 176.885 176.094 -0.008 0.000 1.030 17 V CA -1.893 60.410 62.300 0.004 0.000 0.881 17 V CB 0.915 32.743 31.823 0.010 0.000 0.983 17 V HN 0.711 8.923 8.190 0.037 0.000 0.445 18 G N 6.038 114.822 108.800 -0.026 0.000 2.166 18 G HA2 -0.441 3.488 3.960 -0.051 0.000 0.260 18 G HA3 -0.441 3.616 3.960 -0.073 -0.141 0.260 18 G C -0.810 174.061 174.900 -0.048 0.000 0.986 18 G CA 0.632 45.702 45.100 -0.050 0.000 0.683 18 G HN 0.621 8.897 8.290 -0.023 0.000 0.527 19 G N -2.580 106.203 108.800 -0.029 0.000 2.531 19 G HA2 0.154 4.098 3.960 -0.026 0.000 0.253 19 G HA3 0.154 4.154 3.960 -0.022 -0.053 0.253 19 G C -1.259 173.621 174.900 -0.034 0.000 1.439 19 G CA -0.814 44.270 45.100 -0.027 0.000 1.056 19 G HN -0.526 7.701 8.290 -0.022 0.050 0.555 20 K N -3.123 117.255 120.400 -0.036 0.000 2.399 20 K HA 0.283 4.586 4.320 -0.029 0.000 0.260 20 K C -1.600 174.979 176.600 -0.036 0.000 1.049 20 K CA -1.805 54.462 56.287 -0.033 0.000 0.890 20 K CB 3.875 36.355 32.500 -0.033 0.000 1.430 20 K HN -0.045 8.182 8.250 -0.039 0.000 0.459 21 V N 1.030 120.931 119.914 -0.021 0.000 2.546 21 V HA -0.017 4.220 4.120 -0.023 -0.131 0.284 21 V C 0.036 176.124 176.094 -0.011 0.000 1.050 21 V CA 0.153 62.452 62.300 -0.003 0.000 0.981 21 V CB 0.573 32.419 31.823 0.039 0.000 0.990 21 V HN 0.150 8.331 8.190 -0.016 0.000 0.474 22 c N 9.024 127.610 118.600 -0.024 0.000 2.442 22 c HA 0.320 4.832 4.570 -0.095 0.000 0.362 22 c C -2.143 171.901 174.090 -0.077 0.000 1.242 22 c CA -2.799 53.480 56.329 -0.083 0.000 1.741 22 c CB -0.024 42.397 42.510 -0.149 0.000 2.378 22 c HN 0.730 8.831 8.230 -0.025 0.115 0.549 23 P HA -0.191 4.167 4.420 -0.103 0.000 0.264 23 P C -1.014 176.087 177.300 -0.332 0.000 1.179 23 P CA -0.102 62.903 63.100 -0.157 0.000 0.763 23 P CB 0.984 32.614 31.700 -0.117 0.000 0.806 24 K N 5.181 125.261 120.400 -0.534 0.000 2.504 24 K HA -0.556 3.121 4.320 -1.072 0.000 0.278 24 K C 1.080 177.532 176.600 -0.247 0.000 1.025 24 K CA 1.891 57.795 56.287 -0.638 0.000 1.093 24 K CB -0.105 32.138 32.500 -0.429 0.000 0.873 24 K HN 0.455 8.451 8.250 -0.423 0.000 0.483 25 G N 5.211 113.904 108.800 -0.177 0.000 2.176 25 G HA2 -0.331 3.529 3.960 -0.167 0.000 0.253 25 G HA3 -0.331 3.496 3.960 -0.222 0.000 0.253 25 G C 0.342 175.034 174.900 -0.346 0.000 0.979 25 G CA 0.530 45.507 45.100 -0.205 0.000 0.641 25 G HN 0.813 8.983 8.290 -0.200 0.000 0.530 26 E N -1.950 118.042 120.200 -0.347 0.000 2.479 26 E HA 0.064 4.168 4.350 -0.409 0.000 0.193 26 E C -1.068 175.176 176.600 -0.594 0.000 1.049 26 E CA 0.561 56.716 56.400 -0.408 0.000 0.870 26 E CB 0.890 30.414 29.700 -0.294 0.000 0.944 26 E HN -0.138 7.980 8.360 -0.312 0.055 0.492 27 c N -0.929 117.292 118.600 -0.630 0.000 3.114 27 c HA 0.377 4.258 4.570 -1.149 0.000 0.215 27 c C -1.334 172.176 174.090 -0.967 0.000 1.759 27 c CA -2.547 53.277 56.329 -0.843 0.000 1.455 27 c CB -1.323 40.920 42.510 -0.445 0.000 2.528 27 c HN 0.207 8.076 8.230 -0.486 0.069 0.511 28 P HA -0.074 4.237 4.420 -0.357 -0.105 0.223 28 P C 0.241 177.328 177.300 -0.354 0.000 1.144 28 P CA 1.858 64.594 63.100 -0.606 0.000 0.783 28 P CB 0.305 31.688 31.700 -0.529 0.000 0.771 29 W N -5.816 115.474 121.300 -0.017 0.000 3.197 29 W HA 0.333 5.124 4.660 0.046 -0.104 0.274 29 W C -0.736 175.818 176.519 0.058 0.000 1.297 29 W CA -2.681 54.681 57.345 0.029 0.000 1.662 29 W CB -1.427 28.051 29.460 0.030 0.000 1.106 29 W HN -0.584 6.475 8.180 -1.752 0.069 0.663 30 Q N 2.388 122.220 119.800 0.054 0.000 2.300 30 Q HA 0.032 4.612 4.340 0.203 -0.118 0.280 30 Q C -0.931 175.193 176.000 0.207 0.000 1.033 30 Q CA 0.674 56.556 55.803 0.132 0.000 0.903 30 Q CB 0.214 28.938 28.738 -0.024 0.000 1.195 30 Q HN -0.286 7.676 8.270 -0.232 0.169 0.386 31 V N 5.156 125.214 119.914 0.240 0.000 2.815 31 V HA 0.687 5.109 4.120 0.204 -0.180 0.314 31 V C -1.478 174.790 176.094 0.290 0.000 1.064 31 V CA -1.997 60.440 62.300 0.228 0.000 0.952 31 V CB 3.309 35.245 31.823 0.189 0.000 1.020 31 V HN 0.325 8.655 8.190 0.233 0.000 0.439 32 L N 3.705 125.050 121.223 0.203 0.000 2.381 32 L HA 0.512 5.106 4.340 0.239 -0.111 0.274 32 L C -2.226 174.679 176.870 0.059 0.000 0.988 32 L CA -1.229 53.694 54.840 0.139 0.000 0.824 32 L CB 3.536 45.523 42.059 -0.120 0.000 1.263 32 L HN -0.270 8.042 8.230 0.137 0.000 0.410 33 L N 5.378 126.635 121.223 0.056 0.000 2.322 33 L HA 0.825 5.393 4.340 0.047 -0.200 0.279 33 L C -1.298 175.566 176.870 -0.011 0.000 1.036 33 L CA -1.305 53.558 54.840 0.039 0.000 0.807 33 L CB 1.962 44.056 42.059 0.058 0.000 1.226 33 L HN 0.795 9.068 8.230 0.072 0.000 0.433 34 L N 0.787 121.999 121.223 -0.017 0.000 2.370 34 L HA 0.978 5.478 4.340 -0.053 -0.192 0.266 34 L C -1.267 175.581 176.870 -0.036 0.000 1.002 34 L CA -1.119 53.695 54.840 -0.043 0.000 0.818 34 L CB 3.672 45.697 42.059 -0.055 0.000 1.325 34 L HN 0.791 9.022 8.230 0.002 0.000 0.418 38 G N -0.467 108.309 108.800 -0.040 0.000 2.234 38 G HA2 -0.420 3.511 3.960 -0.050 0.000 0.260 38 G HA3 -0.420 3.515 3.960 -0.042 0.000 0.260 38 G C -1.076 173.791 174.900 -0.056 0.000 0.987 38 G CA 0.247 45.319 45.100 -0.047 0.000 0.625 38 G HN 0.401 8.656 8.290 -0.039 0.012 0.532 39 A N 1.009 123.797 122.820 -0.053 0.000 2.310 39 A HA 0.234 4.520 4.320 -0.057 0.000 0.299 39 A C -1.015 176.532 177.584 -0.061 0.000 1.147 39 A CA -1.167 50.837 52.037 -0.055 0.000 0.818 39 A CB 1.403 20.374 19.000 -0.048 0.000 1.096 39 A HN -0.202 7.712 8.150 -0.049 0.206 0.495 40 Q N 2.085 121.848 119.800 -0.062 0.000 2.330 40 Q HA -0.215 4.196 4.340 -0.069 -0.112 0.279 40 Q C -0.525 175.446 176.000 -0.048 0.000 1.024 40 Q CA 1.345 57.114 55.803 -0.056 0.000 0.900 40 Q CB 0.166 28.878 28.738 -0.042 0.000 1.221 40 Q HN 0.388 8.622 8.270 -0.060 0.000 0.396 41 L N 6.065 127.256 121.223 -0.052 0.000 3.076 41 L HA 0.155 4.440 4.340 -0.093 0.000 0.173 41 L C -1.558 175.261 176.870 -0.084 0.000 1.343 41 L CA 1.046 55.832 54.840 -0.090 0.000 0.894 41 L CB 2.619 44.607 42.059 -0.119 0.000 1.372 41 L HN 0.594 8.800 8.230 -0.041 0.000 0.565 42 c N -5.642 112.913 118.600 -0.075 0.000 3.321 42 c HA 0.196 4.759 4.570 -0.012 0.000 0.363 42 c C -1.290 172.831 174.090 0.052 0.000 1.705 42 c CA -1.107 55.195 56.329 -0.045 0.000 1.298 42 c CB 3.734 46.141 42.510 -0.172 0.000 2.086 42 c HN -0.779 7.412 8.230 -0.065 0.000 0.438 43 G N -1.265 107.585 108.800 0.084 0.000 2.613 43 G HA2 0.750 4.975 3.960 0.229 0.000 0.303 43 G HA3 0.750 4.806 3.960 0.160 0.000 0.303 43 G C -2.492 172.492 174.900 0.140 0.000 1.312 43 G CA -1.459 43.738 45.100 0.161 0.000 1.036 43 G HN 0.589 8.907 8.290 0.046 0.000 0.513 44 G N -3.867 105.037 108.800 0.174 0.000 2.506 44 G HA2 0.569 4.921 3.960 0.165 0.000 0.292 44 G HA3 0.569 4.638 3.960 0.181 0.000 0.292 44 G C -2.760 172.263 174.900 0.206 0.000 1.425 44 G CA 0.460 45.667 45.100 0.179 0.000 0.788 44 G HN -0.664 7.744 8.290 0.196 0.000 0.490 45 T N 1.057 115.738 114.554 0.213 0.000 2.893 45 T HA 0.668 5.356 4.350 0.284 -0.168 0.291 45 T C -1.627 173.215 174.700 0.236 0.000 1.028 45 T CA -0.889 61.358 62.100 0.245 0.000 0.995 45 T CB 3.798 72.799 68.868 0.222 0.000 1.051 45 T HN 0.585 8.842 8.240 0.202 0.105 0.470 46 L N 5.475 126.858 121.223 0.266 0.000 2.257 46 L HA 0.382 4.853 4.340 0.219 0.000 0.290 46 L C -0.794 176.209 176.870 0.221 0.000 1.044 46 L CA -0.974 54.008 54.840 0.237 0.000 0.810 46 L CB 1.464 43.662 42.059 0.231 0.000 1.193 46 L HN 0.285 8.715 8.230 0.333 0.000 0.425 47 I N 0.953 121.650 120.570 0.211 0.000 3.462 47 I HA 0.425 4.857 4.170 0.146 -0.175 0.290 47 I C -0.674 175.549 176.117 0.176 0.000 1.236 47 I CA -0.109 61.296 61.300 0.175 0.000 1.418 47 I CB 0.744 38.840 38.000 0.160 0.000 1.102 47 I HN 0.122 8.473 8.210 0.235 0.000 0.441 48 N N -3.209 115.616 118.700 0.209 0.000 3.043 48 N HA 0.090 4.924 4.740 0.156 0.000 0.243 48 N C -0.490 175.123 175.510 0.171 0.000 1.347 48 N CA -0.011 53.152 53.050 0.188 0.000 0.896 48 N CB 1.066 39.681 38.487 0.213 0.000 1.501 48 N HN -0.752 7.769 8.380 0.234 0.000 0.504 49 T N -2.397 112.232 114.554 0.125 0.000 2.814 49 T HA -0.370 4.029 4.350 0.081 0.000 0.264 49 T C 0.777 175.499 174.700 0.036 0.000 1.050 49 T CA 3.361 65.509 62.100 0.080 0.000 1.147 49 T CB -0.493 68.412 68.868 0.062 0.000 0.833 49 T HN 0.487 8.799 8.240 0.120 0.000 0.498 50 I N -8.626 111.949 120.570 0.008 0.000 4.338 50 I HA 0.464 4.548 4.170 -0.143 0.000 0.329 50 I C -2.235 173.686 176.117 -0.327 0.000 1.378 50 I CA -0.620 60.564 61.300 -0.194 0.000 1.170 50 I CB 1.072 38.861 38.000 -0.352 0.000 1.206 50 I HN -0.198 8.370 8.210 0.091 -0.303 0.432 51 W N 0.178 121.508 121.300 0.049 0.000 2.702 51 W HA 0.872 5.794 4.660 0.036 -0.241 0.331 51 W C -1.358 175.205 176.519 0.074 0.000 1.049 51 W CA -1.454 55.920 57.345 0.048 0.000 1.230 51 W CB 3.750 33.233 29.460 0.038 0.000 1.408 51 W HN 0.016 8.338 8.180 0.227 -0.006 0.492 52 V N 2.828 122.950 119.914 0.346 0.000 2.656 52 V HA 0.783 5.223 4.120 0.244 -0.174 0.307 52 V C -1.560 174.688 176.094 0.257 0.000 1.051 52 V CA -1.527 60.926 62.300 0.254 0.000 0.893 52 V CB 3.743 35.679 31.823 0.189 0.000 0.999 52 V HN 0.921 9.344 8.190 0.389 0.000 0.426 53 V N 7.058 127.106 119.914 0.223 0.000 2.513 53 V HA 0.824 5.260 4.120 0.207 -0.191 0.299 53 V C -1.160 175.046 176.094 0.187 0.000 1.035 53 V CA -1.243 61.177 62.300 0.200 0.000 0.889 53 V CB 2.074 34.006 31.823 0.181 0.000 0.988 53 V HN 0.742 9.062 8.190 0.217 0.000 0.440 54 S N 4.354 120.162 115.700 0.180 0.000 2.998 54 S HA 0.708 5.507 4.470 0.130 -0.250 0.321 54 S C -1.963 172.691 174.600 0.090 0.000 1.171 54 S CA -2.630 55.661 58.200 0.151 0.000 0.882 54 S CB 2.706 66.035 63.200 0.215 0.000 1.301 54 S HN 0.686 9.105 8.310 0.183 0.000 0.629 55 A N -0.488 122.333 122.820 0.002 0.000 2.324 55 A HA 0.519 4.965 4.320 -0.050 -0.156 0.330 55 A C 0.120 177.623 177.584 -0.136 0.000 1.165 55 A CA -1.734 50.245 52.037 -0.096 0.000 0.813 55 A CB 1.863 20.757 19.000 -0.176 0.000 1.197 55 A HN 0.436 8.561 8.150 -0.040 0.000 0.484 56 A N 3.188 125.899 122.820 -0.182 0.000 2.015 56 A HA -0.165 4.224 4.320 0.114 0.000 0.219 56 A C 1.439 178.823 177.584 -0.333 0.000 1.163 56 A CA 2.846 54.720 52.037 -0.271 0.000 0.646 56 A CB -0.490 18.027 19.000 -0.805 0.000 0.806 56 A HN 0.731 8.763 8.150 -0.191 0.002 0.448 57 H N -4.117 114.802 119.070 -0.250 0.000 2.524 57 H HA -0.021 4.697 4.556 0.116 -0.092 0.282 57 H C 1.473 176.729 175.328 -0.120 0.000 1.016 57 H CA 1.948 57.981 56.048 -0.025 0.000 1.270 57 H CB -1.450 28.371 29.762 0.099 0.000 1.394 57 H HN -0.116 8.237 8.280 -0.237 -0.215 0.568 58 c N -0.538 117.601 118.600 -0.769 0.000 2.422 58 c HA -0.233 4.010 4.570 -0.544 0.000 0.286 58 c C -0.877 172.690 174.090 -0.871 0.000 1.412 58 c CA 2.474 58.296 56.329 -0.845 0.000 1.786 58 c CB -1.814 40.027 42.510 -1.115 0.000 1.835 58 c HN -0.803 6.854 8.230 -0.900 0.034 0.533 59 F N -2.689 117.207 119.950 -0.090 0.000 2.470 59 F HA 0.055 4.484 4.527 -0.162 0.000 0.329 59 F C -0.045 175.789 175.800 0.056 0.000 1.072 59 F CA -1.727 56.238 58.000 -0.059 0.000 0.989 59 F CB 0.887 39.908 39.000 0.035 0.000 1.193 59 F HN -0.734 7.315 8.300 -0.326 0.056 0.481 60 N N -0.723 117.899 118.700 -0.131 0.000 2.712 60 N HA -0.478 4.300 4.740 0.063 0.000 0.263 60 N C 0.248 175.713 175.510 -0.075 0.000 0.954 60 N CA 0.603 53.632 53.050 -0.034 0.000 0.812 60 N CB -1.189 37.267 38.487 -0.052 0.000 0.912 60 N HN 0.275 8.477 8.380 -0.297 0.000 0.551 61 W N -0.911 120.415 121.300 0.044 0.000 2.313 61 W HA -0.333 4.363 4.660 0.059 0.000 0.293 61 W C 1.093 177.631 176.519 0.033 0.000 1.216 61 W CA 2.224 59.594 57.345 0.042 0.000 1.223 61 W CB -0.154 29.323 29.460 0.028 0.000 1.138 61 W HN -0.004 8.309 8.180 0.220 0.000 0.535 62 R N -3.394 117.226 120.500 0.201 0.000 2.449 62 R HA 0.010 4.432 4.340 0.136 0.000 0.262 62 R C -0.389 175.951 176.300 0.066 0.000 1.006 62 R CA 0.363 56.539 56.100 0.126 0.000 1.104 62 R CB -0.960 29.404 30.300 0.107 0.000 1.206 62 R HN -0.173 8.187 8.270 0.201 0.031 0.538 63 N N -0.702 118.022 118.700 0.040 0.000 2.299 63 N HA 0.127 4.874 4.740 0.011 0.000 0.246 63 N C -2.367 173.139 175.510 -0.007 0.000 1.254 63 N CA -0.285 52.768 53.050 0.006 0.000 0.879 63 N CB 0.954 39.434 38.487 -0.011 0.000 1.214 63 N HN -0.011 8.201 8.380 0.039 0.190 0.510 64 L N 2.103 123.334 121.223 0.014 0.000 2.272 64 L HA 0.808 5.353 4.340 0.002 -0.203 0.289 64 L C -2.189 174.703 176.870 0.037 0.000 1.032 64 L CA -0.522 54.332 54.840 0.023 0.000 0.810 64 L CB 1.638 43.725 42.059 0.047 0.000 1.205 64 L HN -0.811 7.365 8.230 0.039 0.077 0.422 65 I N 5.540 126.125 120.570 0.025 0.000 2.892 65 I HA 0.692 5.009 4.170 0.031 -0.128 0.306 65 I C -2.251 173.883 176.117 0.029 0.000 1.078 65 I CA -2.012 59.301 61.300 0.022 0.000 1.032 65 I CB 5.053 43.053 38.000 0.001 0.000 1.229 65 I HN 0.823 9.041 8.210 0.014 0.000 0.435 66 A N 2.543 125.382 122.820 0.031 0.000 2.355 66 A HA 1.028 5.595 4.320 0.047 -0.219 0.317 66 A C -1.984 175.614 177.584 0.024 0.000 1.094 66 A CA -2.183 49.881 52.037 0.044 0.000 0.764 66 A CB 3.190 22.229 19.000 0.067 0.000 1.230 66 A HN 0.640 8.806 8.150 0.027 0.000 0.448 67 V N 3.027 122.951 119.914 0.016 0.000 2.555 67 V HA 0.918 5.260 4.120 -0.004 -0.224 0.302 67 V C -1.178 174.937 176.094 0.035 0.000 1.038 67 V CA -1.316 60.979 62.300 -0.007 0.000 0.887 67 V CB 2.717 34.491 31.823 -0.082 0.000 0.991 67 V HN 0.475 8.680 8.190 0.025 0.000 0.434 68 L N 3.035 124.279 121.223 0.035 0.000 2.323 68 L HA 0.648 5.049 4.340 0.102 0.000 0.265 68 L C 0.833 177.730 176.870 0.045 0.000 1.012 68 L CA -1.519 53.361 54.840 0.066 0.000 0.820 68 L CB 3.725 45.827 42.059 0.071 0.000 1.334 68 L HN 0.444 8.682 8.230 0.015 0.000 0.427 69 G N -1.302 107.539 108.800 0.068 0.000 2.234 69 G HA2 -0.548 3.643 3.960 0.100 0.000 0.260 69 G HA3 -0.548 3.679 3.960 0.028 -0.250 0.260 69 G C -1.496 173.431 174.900 0.045 0.000 0.987 69 G CA 0.555 45.689 45.100 0.057 0.000 0.625 69 G HN 0.448 8.787 8.290 0.082 0.000 0.532 70 E N -0.834 119.406 120.200 0.068 0.000 2.414 70 E HA -0.175 4.153 4.350 -0.037 0.000 0.263 70 E C -1.142 175.659 176.600 0.334 0.000 1.000 70 E CA 0.380 56.819 56.400 0.065 0.000 0.914 70 E CB 0.356 29.998 29.700 -0.097 0.000 0.948 70 E HN -0.239 8.037 8.360 0.072 0.127 0.444 71 H N 5.593 124.763 119.070 0.166 0.000 1.855 71 H HA 0.084 4.905 4.556 0.442 0.000 0.178 71 H C -0.951 174.571 175.328 0.323 0.000 0.923 71 H CA 0.869 57.089 56.048 0.286 0.000 0.993 71 H CB 2.614 32.436 29.762 0.099 0.000 1.078 71 H HN 0.252 8.609 8.280 0.129 0.000 0.349 72 D N 1.496 121.850 120.400 -0.076 0.000 2.473 72 D HA 0.372 5.093 4.640 -0.200 -0.201 0.226 72 D C 0.868 177.078 176.300 -0.149 0.000 1.089 72 D CA -1.956 51.943 54.000 -0.168 0.000 0.883 72 D CB -0.196 40.527 40.800 -0.129 0.000 1.029 72 D HN -0.272 8.135 8.370 0.062 0.000 0.517 73 L N 4.735 125.828 121.223 -0.217 0.000 2.450 73 L HA -0.283 3.854 4.340 -0.338 0.000 0.225 73 L C 1.395 178.169 176.870 -0.160 0.000 1.145 73 L CA 2.196 56.869 54.840 -0.278 0.000 0.801 73 L CB -0.447 41.405 42.059 -0.345 0.000 0.924 73 L HN 0.596 8.625 8.230 -0.186 0.089 0.447 74 S N -1.869 113.768 115.700 -0.105 0.000 2.387 74 S HA -0.108 4.321 4.470 -0.068 0.000 0.221 74 S C 0.528 175.103 174.600 -0.042 0.000 1.041 74 S CA 0.787 58.948 58.200 -0.066 0.000 0.959 74 S CB 0.601 63.772 63.200 -0.047 0.000 0.843 74 S HN -0.238 8.214 8.310 -0.099 -0.201 0.488 75 E N 0.842 121.022 120.200 -0.034 0.000 2.280 75 E HA 0.013 4.369 4.350 0.011 0.000 0.261 75 E C -1.510 175.103 176.600 0.022 0.000 1.088 75 E CA -0.991 55.409 56.400 0.001 0.000 0.915 75 E CB 1.040 30.741 29.700 0.002 0.000 1.141 75 E HN -0.430 8.059 8.360 -0.046 -0.158 0.433 76 H N 1.194 120.238 119.070 -0.043 0.000 2.538 76 H HA 0.268 4.921 4.556 -0.052 -0.128 0.353 76 H C -1.458 173.847 175.328 -0.039 0.000 1.109 76 H CA -1.160 54.860 56.048 -0.046 0.000 1.192 76 H CB 1.990 31.725 29.762 -0.045 0.000 1.555 76 H HN 0.183 8.533 8.280 0.116 0.000 0.518 77 D N 6.457 126.893 120.400 0.061 0.000 2.758 77 D HA 0.172 4.882 4.640 0.117 0.000 0.262 77 D C -0.103 176.262 176.300 0.109 0.000 1.113 77 D CA -1.538 52.509 54.000 0.079 0.000 1.114 77 D CB 1.728 42.511 40.800 -0.029 0.000 1.363 77 D HN -0.101 8.569 8.370 -0.251 -0.450 0.617 78 G N -3.162 105.660 108.800 0.038 0.000 2.404 78 G HA2 -0.285 3.767 3.960 0.154 0.000 0.214 78 G HA3 -0.285 3.690 3.960 0.025 0.000 0.214 78 G C 0.915 175.808 174.900 -0.012 0.000 1.189 78 G CA 1.288 46.421 45.100 0.055 0.000 0.789 78 G HN 0.134 8.423 8.290 -0.001 0.000 0.533 79 D N -0.838 119.500 120.400 -0.103 0.000 2.404 79 D HA -0.327 4.261 4.640 -0.086 0.000 0.210 79 D C 0.007 176.245 176.300 -0.102 0.000 0.994 79 D CA 1.700 55.613 54.000 -0.145 0.000 0.955 79 D CB -0.770 39.810 40.800 -0.367 0.000 0.874 79 D HN 0.492 8.786 8.370 -0.127 0.000 0.474 80 E N -2.249 117.864 120.200 -0.145 0.000 2.277 80 E HA 0.396 4.902 4.350 -0.081 -0.204 0.274 80 E C -0.254 176.314 176.600 -0.054 0.000 1.022 80 E CA -0.529 55.794 56.400 -0.128 0.000 0.853 80 E CB 1.424 30.968 29.700 -0.259 0.000 1.086 80 E HN -0.671 7.500 8.360 -0.196 0.071 0.397 81 Q N 2.411 122.197 119.800 -0.024 0.000 2.356 81 Q HA 0.371 4.717 4.340 0.010 0.000 0.270 81 Q C -1.298 174.703 176.000 0.000 0.000 1.058 81 Q CA -0.936 54.869 55.803 0.003 0.000 0.802 81 Q CB 3.710 32.459 28.738 0.019 0.000 1.303 81 Q HN 0.714 8.970 8.270 -0.023 0.000 0.444 82 S N 3.194 118.896 115.700 0.004 0.000 2.500 82 S HA 1.035 5.722 4.470 -0.000 -0.217 0.301 82 S C -0.502 174.101 174.600 0.005 0.000 1.092 82 S CA -1.075 57.125 58.200 0.000 0.000 1.030 82 S CB 2.145 65.342 63.200 -0.006 0.000 1.031 82 S HN 0.339 8.655 8.310 0.009 0.000 0.483 83 R N 1.901 122.408 120.500 0.011 0.000 2.771 83 R HA 0.402 4.746 4.340 0.007 0.000 0.274 83 R C -1.933 174.381 176.300 0.023 0.000 0.987 83 R CA -2.501 53.608 56.100 0.015 0.000 0.908 83 R CB 4.520 34.833 30.300 0.021 0.000 1.213 83 R HN 0.246 8.524 8.270 0.013 0.000 0.468 84 R N -0.145 120.375 120.500 0.033 0.000 2.543 84 R HA 0.328 4.805 4.340 0.035 -0.116 0.268 84 R C -0.114 176.222 176.300 0.060 0.000 1.067 84 R CA -0.502 55.626 56.100 0.046 0.000 1.142 84 R CB 1.241 31.570 30.300 0.050 0.000 1.110 84 R HN 0.443 8.733 8.270 0.034 0.000 0.549 85 V N 0.572 120.521 119.914 0.058 0.000 2.350 85 V HA -0.022 4.100 4.120 0.004 0.000 0.276 85 V C -1.046 175.071 176.094 0.038 0.000 1.028 85 V CA -0.240 62.081 62.300 0.035 0.000 0.860 85 V CB 0.894 32.751 31.823 0.056 0.000 0.990 85 V HN -0.357 7.872 8.190 0.064 0.000 0.453 86 A N 7.884 130.691 122.820 -0.022 0.000 1.903 86 A HA -0.033 4.300 4.320 0.021 0.000 0.213 86 A C -0.889 176.669 177.584 -0.044 0.000 1.185 86 A CA 1.775 53.784 52.037 -0.046 0.000 0.628 86 A CB 1.020 19.909 19.000 -0.184 0.000 0.830 86 A HN 0.689 8.702 8.150 -0.070 0.095 0.446 87 Q N -4.633 115.125 119.800 -0.070 0.000 2.416 87 Q HA 0.645 5.111 4.340 -0.021 -0.139 0.281 87 Q C -2.149 173.835 176.000 -0.028 0.000 1.067 87 Q CA -1.065 54.715 55.803 -0.039 0.000 0.809 87 Q CB 5.028 33.740 28.738 -0.044 0.000 1.418 87 Q HN -0.228 7.975 8.270 -0.112 0.000 0.411 88 V N 3.835 123.723 119.914 -0.044 0.000 2.443 88 V HA 0.338 4.513 4.120 -0.118 -0.126 0.293 88 V C -1.789 174.266 176.094 -0.065 0.000 1.021 88 V CA -0.739 61.478 62.300 -0.139 0.000 0.848 88 V CB 2.077 33.683 31.823 -0.361 0.000 0.998 88 V HN 1.094 9.154 8.190 -0.042 0.104 0.424 89 I N 7.210 127.783 120.570 0.005 0.000 2.389 89 I HA 0.809 5.246 4.170 0.039 -0.244 0.288 89 I C -0.750 175.474 176.117 0.177 0.000 0.999 89 I CA -1.390 59.944 61.300 0.056 0.000 1.129 89 I CB 1.758 39.754 38.000 -0.007 0.000 1.288 89 I HN 0.991 9.108 8.210 0.034 0.114 0.444 90 I N 0.934 121.633 120.570 0.214 0.000 2.846 90 I HA 0.906 5.374 4.170 0.280 -0.130 0.307 90 I C -2.510 173.810 176.117 0.339 0.000 1.053 90 I CA -4.118 57.321 61.300 0.232 0.000 1.050 90 I CB 2.040 40.073 38.000 0.056 0.000 1.239 90 I HN 0.899 9.209 8.210 0.165 0.000 0.439 91 P HA 0.125 4.822 4.420 0.199 -0.158 0.266 91 P C 0.878 178.242 177.300 0.106 0.000 1.193 91 P CA 0.054 63.123 63.100 -0.051 0.000 0.770 91 P CB 0.367 31.707 31.700 -0.599 0.000 0.836 92 S N 2.524 118.312 115.700 0.146 0.000 2.481 92 S HA -0.209 4.345 4.470 0.140 0.000 0.231 92 S C 0.910 175.544 174.600 0.056 0.000 0.996 92 S CA 3.564 61.837 58.200 0.123 0.000 0.942 92 S CB -0.474 62.806 63.200 0.133 0.000 0.768 92 S HN 0.258 8.697 8.310 0.214 0.000 0.520 93 T N -2.402 112.127 114.554 -0.042 0.000 3.129 93 T HA -0.099 4.242 4.350 -0.015 0.000 0.251 93 T C -0.479 174.243 174.700 0.037 0.000 1.117 93 T CA 0.035 62.077 62.100 -0.096 0.000 1.034 93 T CB -0.097 68.506 68.868 -0.441 0.000 0.968 93 T HN -0.257 7.869 8.240 -0.109 0.049 0.526 94 Y N 3.009 123.293 120.300 -0.027 0.000 2.346 94 Y HA -0.157 4.454 4.550 0.102 0.000 0.330 94 Y C -1.272 174.660 175.900 0.054 0.000 1.178 94 Y CA 0.824 58.954 58.100 0.050 0.000 1.331 94 Y CB 1.457 39.938 38.460 0.035 0.000 1.253 94 Y HN -0.778 7.425 8.280 0.148 0.166 0.529 95 V N 8.857 128.270 119.914 -0.836 0.000 2.378 95 V HA 0.386 4.324 4.120 -0.303 0.000 0.288 95 V C -2.094 173.460 176.094 -0.899 0.000 1.016 95 V CA -3.353 58.609 62.300 -0.563 0.000 0.840 95 V CB 1.786 33.427 31.823 -0.304 0.000 0.994 95 V HN 0.122 7.692 8.190 -1.033 0.000 0.431 96 P HA -0.237 4.395 4.420 0.140 -0.128 0.260 96 P C 0.070 177.309 177.300 -0.102 0.000 1.172 96 P CA 0.943 63.996 63.100 -0.077 0.000 0.760 96 P CB -0.247 31.523 31.700 0.118 0.000 0.773 97 G N 4.421 113.216 108.800 -0.008 0.000 2.238 97 G HA2 -0.263 3.700 3.960 0.006 0.000 0.217 97 G HA3 -0.263 3.661 3.960 -0.059 0.000 0.217 97 G C -0.250 174.586 174.900 -0.107 0.000 0.996 97 G CA -0.035 45.042 45.100 -0.040 0.000 0.632 97 G HN 0.052 8.685 8.290 0.167 -0.242 0.503 98 T N -2.332 112.111 114.554 -0.186 0.000 2.889 98 T HA 0.223 4.444 4.350 -0.214 0.000 0.278 98 T C -0.120 174.519 174.700 -0.102 0.000 0.995 98 T CA -2.148 59.831 62.100 -0.201 0.000 0.966 98 T CB 2.071 70.793 68.868 -0.243 0.000 1.237 98 T HN -0.570 7.413 8.240 -0.315 0.067 0.591 99 T N -4.904 109.531 114.554 -0.197 0.000 3.084 99 T HA 0.074 4.454 4.350 0.050 0.000 0.270 99 T C -1.054 173.648 174.700 0.004 0.000 1.008 99 T CA -1.344 60.670 62.100 -0.143 0.000 0.900 99 T CB 0.259 68.708 68.868 -0.698 0.000 1.084 99 T HN -0.018 8.053 8.240 -0.282 0.000 0.538 100 N N 0.847 119.547 118.700 -0.001 0.000 2.508 100 N HA -0.106 4.641 4.740 0.013 0.000 0.285 100 N C -0.579 174.969 175.510 0.063 0.000 1.144 100 N CA 0.110 53.146 53.050 -0.023 0.000 0.978 100 N CB 1.291 39.722 38.487 -0.093 0.000 1.180 100 N HN -0.751 7.600 8.380 -0.048 0.000 0.484 101 H N -3.030 116.074 119.070 0.055 0.000 2.677 101 H HA -0.330 4.089 4.556 -0.229 0.000 0.321 101 H C -1.085 174.198 175.328 -0.075 0.000 1.171 101 H CA 1.220 57.194 56.048 -0.123 0.000 1.139 101 H CB -2.211 27.461 29.762 -0.149 0.000 1.515 101 H HN 0.656 8.729 8.280 -0.344 0.000 0.423 102 D N -0.589 119.810 120.400 -0.001 0.000 2.639 102 D HA 0.168 4.746 4.640 -0.104 0.000 0.233 102 D C -2.041 174.159 176.300 -0.167 0.000 1.161 102 D CA -0.315 53.668 54.000 -0.029 0.000 1.003 102 D CB -0.494 40.396 40.800 0.150 0.000 1.034 102 D HN 0.152 8.524 8.370 0.004 0.000 0.514 103 I N 1.337 121.725 120.570 -0.303 0.000 2.802 103 I HA 0.783 5.043 4.170 -0.139 -0.174 0.298 103 I C -3.074 172.980 176.117 -0.105 0.000 1.176 103 I CA -2.155 58.985 61.300 -0.266 0.000 1.025 103 I CB 4.270 41.891 38.000 -0.632 0.000 1.243 103 I HN -0.657 7.304 8.210 -0.342 0.044 0.424 104 A N 5.778 128.631 122.820 0.056 0.000 2.422 104 A HA 0.757 5.343 4.320 0.150 -0.176 0.302 104 A C -2.842 174.852 177.584 0.183 0.000 1.041 104 A CA -1.800 50.324 52.037 0.146 0.000 0.708 104 A CB 3.887 23.039 19.000 0.254 0.000 1.257 104 A HN 0.523 8.638 8.150 0.067 0.075 0.414 105 L N 3.770 125.104 121.223 0.186 0.000 2.305 105 L HA 0.776 5.385 4.340 0.223 -0.135 0.284 105 L C -2.412 174.610 176.870 0.253 0.000 1.013 105 L CA -1.392 53.568 54.840 0.200 0.000 0.819 105 L CB 3.296 45.380 42.059 0.041 0.000 1.227 105 L HN 0.728 8.953 8.230 0.178 0.111 0.417 106 L N 7.201 128.605 121.223 0.302 0.000 2.317 106 L HA 0.692 5.297 4.340 0.110 -0.199 0.281 106 L C -1.411 175.523 176.870 0.107 0.000 1.024 106 L CA -1.222 53.726 54.840 0.181 0.000 0.810 106 L CB 2.342 44.467 42.059 0.109 0.000 1.240 106 L HN 1.282 9.595 8.230 0.321 0.110 0.427 107 R N 3.748 124.128 120.500 -0.199 0.000 2.246 107 R HA 0.568 4.270 4.340 -1.355 -0.175 0.332 107 R C -0.771 175.286 176.300 -0.405 0.000 0.974 107 R CA -1.817 53.806 56.100 -0.796 0.000 0.837 107 R CB 1.756 31.560 30.300 -0.827 0.000 1.145 107 R HN 0.835 8.938 8.270 -0.085 0.116 0.467 108 L N 5.587 126.592 121.223 -0.364 0.000 2.472 108 L HA -0.024 4.381 4.340 -0.087 -0.117 0.260 108 L C 0.640 177.421 176.870 -0.149 0.000 1.209 108 L CA 0.683 55.426 54.840 -0.162 0.000 0.817 108 L CB 0.442 42.439 42.059 -0.104 0.000 1.106 108 L HN 0.588 8.525 8.230 -0.489 0.000 0.479 109 H N 2.332 121.338 119.070 -0.108 0.000 2.363 109 H HA -0.190 4.306 4.556 -0.099 0.000 0.301 109 H C -0.261 175.016 175.328 -0.085 0.000 1.074 109 H CA 1.641 57.636 56.048 -0.087 0.000 1.354 109 H CB 1.165 30.898 29.762 -0.049 0.000 1.397 109 H HN 0.465 8.790 8.280 0.075 0.000 0.516 110 Q N -3.651 116.219 119.800 0.118 0.000 2.389 110 Q HA 0.480 4.845 4.340 0.042 0.000 0.277 110 Q C -2.231 173.770 176.000 0.002 0.000 1.082 110 Q CA -3.579 52.262 55.803 0.063 0.000 0.810 110 Q CB 1.341 30.121 28.738 0.070 0.000 1.374 110 Q HN -0.028 8.299 8.270 0.095 0.000 0.422 111 P HA 0.031 4.630 4.420 -0.024 -0.193 0.270 111 P C -0.418 176.890 177.300 0.013 0.000 1.227 111 P CA -0.412 62.684 63.100 -0.007 0.000 0.788 111 P CB 0.506 32.207 31.700 0.002 0.000 0.926 112 V N -4.103 115.825 119.914 0.024 0.000 3.234 112 V HA 0.323 4.496 4.120 0.028 -0.037 0.317 112 V C -0.733 175.383 176.094 0.037 0.000 1.081 112 V CA -1.851 60.469 62.300 0.033 0.000 1.037 112 V CB 2.067 33.917 31.823 0.045 0.000 1.148 112 V HN -0.149 8.056 8.190 0.025 0.000 0.453 113 V N -0.238 119.699 119.914 0.039 0.000 2.667 113 V HA 0.163 4.306 4.120 0.038 0.000 0.308 113 V C -0.918 175.203 176.094 0.046 0.000 1.048 113 V CA -0.997 61.327 62.300 0.039 0.000 0.928 113 V CB 2.568 34.411 31.823 0.034 0.000 1.004 113 V HN 0.043 8.620 8.190 0.038 -0.364 0.444 114 L N 4.096 125.346 121.223 0.046 0.000 2.325 114 L HA 0.449 4.955 4.340 0.052 -0.134 0.279 114 L C -0.251 176.641 176.870 0.038 0.000 1.054 114 L CA -0.713 54.155 54.840 0.048 0.000 0.804 114 L CB 0.904 42.995 42.059 0.053 0.000 1.200 114 L HN 0.135 8.391 8.230 0.043 0.000 0.436 115 T N -0.992 113.581 114.554 0.032 0.000 2.671 115 T HA 0.231 4.593 4.350 0.021 0.000 0.300 115 T C 0.080 174.763 174.700 -0.029 0.000 1.238 115 T CA -1.509 60.606 62.100 0.025 0.000 1.020 115 T CB 2.420 71.329 68.868 0.067 0.000 1.503 115 T HN 0.320 8.471 8.240 0.030 0.107 0.497 116 D N -1.703 118.650 120.400 -0.078 0.000 2.354 116 D HA -0.185 4.342 4.640 -0.188 0.000 0.216 116 D C 0.359 176.355 176.300 -0.507 0.000 0.970 116 D CA 2.575 56.418 54.000 -0.261 0.000 0.905 116 D CB -0.324 40.298 40.800 -0.296 0.000 0.903 116 D HN 0.459 8.816 8.370 -0.021 0.000 0.508 117 H N -5.347 113.685 119.070 -0.064 0.000 2.755 117 H HA 0.189 4.663 4.556 -0.137 0.000 0.273 117 H C -1.175 174.106 175.328 -0.078 0.000 1.055 117 H CA 0.190 56.183 56.048 -0.091 0.000 1.191 117 H CB 1.223 30.944 29.762 -0.067 0.000 1.536 117 H HN -0.460 7.745 8.280 -0.018 0.065 0.529 118 V N 1.548 121.465 119.914 0.004 0.000 2.498 118 V HA 0.232 4.551 4.120 0.019 -0.187 0.283 118 V C -1.825 174.291 176.094 0.035 0.000 1.015 118 V CA -0.430 61.887 62.300 0.029 0.000 0.867 118 V CB 1.531 33.389 31.823 0.058 0.000 1.025 118 V HN -0.258 7.735 8.190 -0.018 0.186 0.441 119 V N 7.981 127.929 119.914 0.057 0.000 2.841 119 V HA 0.470 4.661 4.120 0.119 0.000 0.310 119 V C -3.072 173.197 176.094 0.292 0.000 1.090 119 V CA -3.526 58.859 62.300 0.142 0.000 0.930 119 V CB 3.694 35.593 31.823 0.126 0.000 1.014 119 V HN -0.274 7.823 8.190 0.029 0.111 0.425 120 P HA 0.411 5.139 4.420 0.321 -0.114 0.281 120 P C -1.961 175.499 177.300 0.266 0.000 1.264 120 P CA -1.353 61.912 63.100 0.275 0.000 0.824 120 P CB 1.018 32.825 31.700 0.178 0.000 1.092 121 L N 0.535 121.828 121.223 0.118 0.000 2.309 121 L HA 0.271 4.309 4.340 -0.505 0.000 0.282 121 L C -0.316 176.483 176.870 -0.118 0.000 1.036 121 L CA -1.297 53.373 54.840 -0.284 0.000 0.806 121 L CB 2.151 43.886 42.059 -0.540 0.000 1.220 121 L HN 0.563 8.895 8.230 0.170 0.000 0.429 122 C N 6.115 125.306 119.300 -0.182 0.000 2.653 122 C HA 0.008 4.469 4.460 0.002 0.000 0.421 122 C C -0.995 174.054 174.990 0.097 0.000 1.334 122 C CA 1.216 60.199 59.018 -0.057 0.000 1.885 122 C CB -0.609 27.015 27.740 -0.193 0.000 2.645 122 C HN 0.076 8.115 8.230 -0.320 0.000 0.601 123 L N 4.285 125.595 121.223 0.145 0.000 2.255 123 L HA 0.392 4.851 4.340 0.199 0.000 0.289 123 L C -1.819 175.194 176.870 0.238 0.000 1.046 123 L CA -2.749 52.201 54.840 0.184 0.000 0.816 123 L CB 1.377 43.518 42.059 0.137 0.000 1.197 123 L HN 0.278 8.577 8.230 0.115 0.000 0.427 124 P HA 0.182 4.810 4.420 0.348 0.000 0.279 124 P C -2.134 175.280 177.300 0.191 0.000 1.276 124 P CA -1.048 62.239 63.100 0.313 0.000 0.801 124 P CB 0.977 32.870 31.700 0.321 0.000 1.127 125 E N 0.318 120.613 120.200 0.159 0.000 2.343 125 E HA -0.130 4.276 4.350 0.093 0.000 0.269 125 E C 0.573 177.241 176.600 0.114 0.000 1.047 125 E CA -0.440 56.023 56.400 0.105 0.000 0.874 125 E CB 1.099 30.831 29.700 0.055 0.000 1.033 125 E HN -0.017 8.439 8.360 0.160 0.000 0.409 126 R N 4.619 125.168 120.500 0.082 0.000 2.096 126 R HA -0.407 3.967 4.340 0.057 0.000 0.240 126 R C 1.345 177.655 176.300 0.017 0.000 1.139 126 R CA 4.749 60.881 56.100 0.053 0.000 0.952 126 R CB -0.425 29.906 30.300 0.050 0.000 0.854 126 R HN 0.621 8.938 8.270 0.078 0.000 0.436 127 T N -4.839 109.729 114.554 0.025 0.000 2.746 127 T HA -0.259 4.072 4.350 -0.032 0.000 0.267 127 T C 0.221 174.914 174.700 -0.013 0.000 1.039 127 T CA 2.232 64.330 62.100 -0.003 0.000 1.142 127 T CB -0.531 68.342 68.868 0.008 0.000 0.866 127 T HN -0.177 8.086 8.240 0.038 0.000 0.444 128 F N 1.913 121.780 119.950 -0.139 0.000 2.563 128 F HA 0.142 4.533 4.527 -0.227 0.000 0.363 128 F C -0.338 175.297 175.800 -0.275 0.000 1.123 128 F CA 1.069 58.936 58.000 -0.221 0.000 1.307 128 F CB 0.385 39.246 39.000 -0.231 0.000 1.115 128 F HN -0.515 7.877 8.300 0.153 0.000 0.592 135 F N -0.920 119.038 119.950 0.014 0.000 2.450 135 F HA 0.809 5.583 4.527 0.024 -0.232 0.332 135 F C -0.400 175.418 175.800 0.029 0.000 1.093 135 F CA -1.625 56.394 58.000 0.031 0.000 1.003 135 F CB 2.420 41.456 39.000 0.060 0.000 1.151 135 F HN -0.493 7.820 8.300 0.022 0.000 0.474 136 S N -0.586 115.229 115.700 0.192 0.000 2.627 136 S HA 0.587 5.216 4.470 0.169 -0.058 0.283 136 S C -1.989 172.612 174.600 0.002 0.000 1.127 136 S CA -0.789 57.416 58.200 0.008 0.000 0.863 136 S CB 3.738 66.673 63.200 -0.441 0.000 1.121 136 S HN 0.072 8.516 8.310 0.223 0.000 0.479 137 L N 0.552 121.814 121.223 0.065 0.000 2.325 137 L HA 0.847 5.453 4.340 0.058 -0.232 0.278 137 L C -1.087 175.787 176.870 0.006 0.000 1.023 137 L CA -1.234 53.643 54.840 0.061 0.000 0.811 137 L CB 2.048 44.163 42.059 0.094 0.000 1.249 137 L HN 0.393 8.729 8.230 0.177 0.000 0.431 138 V N 2.149 122.085 119.914 0.037 0.000 2.715 138 V HA 0.937 5.370 4.120 0.124 -0.238 0.310 138 V C -0.940 175.188 176.094 0.058 0.000 1.054 138 V CA -1.875 60.484 62.300 0.099 0.000 0.928 138 V CB 3.239 35.168 31.823 0.177 0.000 1.007 138 V HN 0.592 8.810 8.190 0.046 0.000 0.437 139 S N 1.708 117.433 115.700 0.042 0.000 2.638 139 S HA 0.975 5.530 4.470 -0.080 -0.133 0.274 139 S C -1.366 173.160 174.600 -0.124 0.000 1.157 139 S CA -1.413 56.744 58.200 -0.072 0.000 0.826 139 S CB 3.676 66.802 63.200 -0.123 0.000 1.139 139 S HN -0.201 8.162 8.310 0.088 0.000 0.474 140 G N -1.834 106.788 108.800 -0.296 0.000 2.327 140 G HA2 0.160 3.833 3.960 -0.478 0.000 0.291 140 G HA3 0.160 4.210 3.960 -0.108 -0.156 0.291 140 G C -2.710 171.912 174.900 -0.463 0.000 1.290 140 G CA 0.744 45.641 45.100 -0.337 0.000 0.857 140 G HN 0.390 8.465 8.290 -0.360 0.000 0.520 141 W N 0.513 121.820 121.300 0.010 0.000 2.145 141 W HA 0.395 5.046 4.660 -0.015 0.000 0.370 141 W C -0.553 175.963 176.519 -0.005 0.000 0.850 141 W CA -1.115 56.224 57.345 -0.009 0.000 2.615 141 W CB 0.874 30.321 29.460 -0.022 0.000 1.376 141 W HN 0.552 8.839 8.180 0.178 0.000 0.654 142 G N -0.158 108.712 108.800 0.117 0.000 2.557 142 G HA2 0.250 4.255 3.960 0.103 0.000 0.292 142 G HA3 0.250 4.413 3.960 0.069 -0.162 0.292 142 G C -1.301 173.635 174.900 0.060 0.000 1.237 142 G CA -1.265 43.888 45.100 0.087 0.000 0.978 142 G HN -0.615 7.789 8.290 0.050 -0.084 0.498 143 Q N -1.251 118.576 119.800 0.046 0.000 2.326 143 Q HA -0.421 4.071 4.340 0.031 -0.133 0.314 143 Q C 0.300 176.314 176.000 0.023 0.000 1.091 143 Q CA 1.556 57.377 55.803 0.031 0.000 0.974 143 Q CB 0.350 29.102 28.738 0.023 0.000 1.220 143 Q HN -0.045 8.253 8.270 0.046 0.000 0.398 144 L N -0.672 120.561 121.223 0.017 0.000 2.592 144 L HA 0.092 4.700 4.340 0.006 -0.264 0.227 144 L C -0.328 176.544 176.870 0.003 0.000 1.127 144 L CA -0.297 54.547 54.840 0.008 0.000 0.884 144 L CB 0.683 42.745 42.059 0.006 0.000 1.065 144 L HN -0.047 8.194 8.230 0.017 0.000 0.457 145 L N -6.800 114.426 121.223 0.005 0.000 2.710 145 L HA 0.085 4.425 4.340 -0.000 0.000 0.260 145 L C -1.869 175.003 176.870 0.003 0.000 0.993 145 L CA -1.521 53.320 54.840 0.001 0.000 0.877 145 L CB 3.856 45.914 42.059 -0.002 0.000 1.461 145 L HN -0.974 7.188 8.230 0.009 0.073 0.413 146 D N 0.062 120.462 120.400 0.001 0.000 2.443 146 D HA -0.047 4.595 4.640 0.003 0.000 0.239 146 D C 0.250 176.550 176.300 0.000 0.000 1.136 146 D CA 0.927 54.927 54.000 -0.000 0.000 0.879 146 D CB 0.557 41.354 40.800 -0.006 0.000 1.195 146 D HN 0.145 8.514 8.370 -0.002 0.000 0.443 150 A N 0.012 122.837 122.820 0.009 0.000 2.327 150 A HA 0.351 4.678 4.320 0.011 0.000 0.283 150 A C -0.045 177.552 177.584 0.022 0.000 1.127 150 A CA -0.257 51.788 52.037 0.012 0.000 0.810 150 A CB 0.786 19.791 19.000 0.009 0.000 1.066 150 A HN 0.098 8.251 8.150 0.006 0.000 0.492 151 T N -1.073 113.499 114.554 0.030 0.000 2.766 151 T HA -0.155 4.368 4.350 0.053 -0.141 0.295 151 T C -0.342 174.396 174.700 0.063 0.000 1.024 151 T CA -1.027 61.105 62.100 0.052 0.000 1.018 151 T CB 0.777 69.680 68.868 0.059 0.000 1.002 151 T HN -0.086 8.168 8.240 0.024 0.000 0.532 152 A N 0.711 123.592 122.820 0.102 0.000 2.248 152 A HA 0.224 4.584 4.320 0.066 0.000 0.316 152 A C -1.311 176.382 177.584 0.182 0.000 1.101 152 A CA -0.958 51.146 52.037 0.112 0.000 0.875 152 A CB 1.733 20.785 19.000 0.087 0.000 1.207 152 A HN -0.293 7.827 8.150 0.125 0.105 0.504 153 L N -2.343 118.970 121.223 0.150 0.000 2.624 153 L HA 0.185 4.570 4.340 0.075 0.000 0.222 153 L C -0.498 176.467 176.870 0.159 0.000 1.046 153 L CA 0.781 55.685 54.840 0.107 0.000 0.872 153 L CB 0.982 43.047 42.059 0.011 0.000 1.190 153 L HN 0.142 8.431 8.230 0.098 0.000 0.487 154 E N -0.748 119.502 120.200 0.084 0.000 2.156 154 E HA 0.308 4.708 4.350 -0.247 -0.199 0.279 154 E C -0.291 176.288 176.600 -0.036 0.000 0.965 154 E CA -1.660 54.679 56.400 -0.102 0.000 0.789 154 E CB 1.234 30.833 29.700 -0.169 0.000 1.098 154 E HN -0.688 7.709 8.360 0.061 0.000 0.397 155 L N 6.485 127.653 121.223 -0.091 0.000 2.640 155 L HA -0.285 3.303 4.340 -1.442 -0.114 0.280 155 L C -1.132 175.550 176.870 -0.314 0.000 1.229 155 L CA 1.369 55.844 54.840 -0.609 0.000 0.919 155 L CB 0.381 42.185 42.059 -0.425 0.000 1.168 155 L HN 0.281 8.537 8.230 0.042 0.000 0.496 156 M N 6.439 125.822 119.600 -0.361 0.000 2.472 156 M HA 0.697 5.252 4.480 -0.120 -0.147 0.331 156 M C -1.545 174.655 176.300 -0.167 0.000 1.170 156 M CA -2.555 52.638 55.300 -0.178 0.000 1.009 156 M CB 1.764 34.294 32.600 -0.117 0.000 1.672 156 M HN 0.926 8.792 8.290 -0.526 0.108 0.453 157 V N 1.700 121.551 119.914 -0.104 0.000 2.789 157 V HA 0.907 5.178 4.120 -0.072 -0.194 0.311 157 V C -2.760 173.316 176.094 -0.030 0.000 1.073 157 V CA -2.501 59.754 62.300 -0.075 0.000 0.921 157 V CB 4.280 36.047 31.823 -0.095 0.000 1.009 157 V HN 0.706 8.846 8.190 -0.084 0.000 0.426 158 L N 5.935 127.162 121.223 0.006 0.000 2.422 158 L HA 0.561 4.909 4.340 0.014 0.000 0.264 158 L C -2.717 174.196 176.870 0.071 0.000 0.984 158 L CA -0.781 54.081 54.840 0.038 0.000 0.819 158 L CB 4.606 46.706 42.059 0.067 0.000 1.330 158 L HN 0.731 8.969 8.230 0.013 0.000 0.410 159 N N 4.150 122.892 118.700 0.071 0.000 2.422 159 N HA 0.550 5.556 4.740 0.111 -0.199 0.266 159 N C -1.134 174.521 175.510 0.241 0.000 1.007 159 N CA -0.503 52.602 53.050 0.091 0.000 0.941 159 N CB 1.672 40.112 38.487 -0.079 0.000 1.115 159 N HN 0.337 8.741 8.380 0.039 0.000 0.492 160 V N 1.516 121.609 119.914 0.298 0.000 2.680 160 V HA 0.603 4.983 4.120 0.432 0.000 0.309 160 V C -2.767 173.554 176.094 0.377 0.000 1.052 160 V CA -4.411 58.093 62.300 0.339 0.000 0.908 160 V CB 1.928 33.884 31.823 0.222 0.000 1.001 160 V HN 0.640 8.955 8.190 0.208 0.000 0.431 161 P HA 0.466 4.875 4.420 -0.403 -0.231 0.284 161 P C -0.950 176.283 177.300 -0.111 0.000 1.253 161 P CA -1.155 61.829 63.100 -0.194 0.000 0.800 161 P CB 1.341 32.830 31.700 -0.351 0.000 0.961 162 R N 1.956 122.373 120.500 -0.138 0.000 2.500 162 R HA 0.259 4.731 4.340 0.038 -0.109 0.277 162 R C -1.250 174.952 176.300 -0.163 0.000 1.026 162 R CA -0.333 55.728 56.100 -0.064 0.000 1.058 162 R CB 2.196 32.448 30.300 -0.080 0.000 1.078 162 R HN 0.193 8.321 8.270 -0.236 0.000 0.509 163 L N 1.323 122.456 121.223 -0.149 0.000 2.371 163 L HA 0.376 4.585 4.340 -0.219 0.000 0.262 163 L C -1.119 175.653 176.870 -0.164 0.000 1.006 163 L CA -0.739 53.968 54.840 -0.222 0.000 0.818 163 L CB 3.857 45.672 42.059 -0.406 0.000 1.354 163 L HN 0.319 8.517 8.230 -0.053 0.000 0.415 164 M N 0.049 119.550 119.600 -0.164 0.000 2.274 164 M HA 0.197 4.606 4.480 -0.117 0.000 0.344 164 M C 1.274 177.504 176.300 -0.118 0.000 1.161 164 M CA 0.267 55.491 55.300 -0.128 0.000 1.126 164 M CB 1.481 34.008 32.600 -0.122 0.000 1.522 164 M HN 0.470 8.654 8.290 -0.176 0.000 0.461 165 T N 4.492 118.998 114.554 -0.080 0.000 2.624 165 T HA -0.463 3.847 4.350 -0.066 0.000 0.268 165 T C 2.027 176.685 174.700 -0.069 0.000 1.041 165 T CA 5.243 67.306 62.100 -0.062 0.000 1.159 165 T CB -0.536 68.314 68.868 -0.029 0.000 0.863 165 T HN 0.411 8.611 8.240 -0.067 0.000 0.434 166 Q N -0.666 119.095 119.800 -0.065 0.000 2.082 166 Q HA -0.476 3.839 4.340 -0.041 0.000 0.211 166 Q C 1.942 177.902 176.000 -0.067 0.000 1.002 166 Q CA 3.888 59.658 55.803 -0.056 0.000 0.868 166 Q CB -0.521 28.184 28.738 -0.055 0.000 0.931 166 Q HN 0.297 8.528 8.270 -0.065 0.000 0.414 167 D N -2.767 117.575 120.400 -0.097 0.000 2.178 167 D HA -0.205 4.384 4.640 -0.084 0.000 0.202 167 D C 1.236 177.437 176.300 -0.165 0.000 0.974 167 D CA 3.148 57.075 54.000 -0.120 0.000 0.841 167 D CB -0.142 40.565 40.800 -0.156 0.000 0.953 167 D HN -0.324 7.983 8.370 -0.103 0.001 0.478 168 c N -0.313 118.167 118.600 -0.200 0.000 2.508 168 c HA -0.242 4.062 4.570 -0.443 0.000 0.280 168 c C 0.270 174.324 174.090 -0.059 0.000 1.262 168 c CA 1.107 57.293 56.329 -0.238 0.000 1.706 168 c CB -0.453 41.934 42.510 -0.206 0.000 2.078 168 c HN -0.209 7.773 8.230 -0.169 0.147 0.480 169 L N 1.056 122.259 121.223 -0.033 0.000 2.601 169 L HA -0.117 4.242 4.340 0.031 0.000 0.277 169 L C -0.825 176.048 176.870 0.006 0.000 1.219 169 L CA 0.831 55.675 54.840 0.007 0.000 0.915 169 L CB -1.216 40.846 42.059 0.006 0.000 1.160 169 L HN 0.221 8.317 8.230 -0.050 0.103 0.494 176 I N 0.743 121.429 120.570 0.194 0.000 2.307 176 I HA 0.184 4.551 4.170 0.327 0.000 0.287 176 I C 0.210 176.399 176.117 0.120 0.000 1.054 176 I CA -1.802 59.624 61.300 0.211 0.000 1.218 176 I CB -1.104 36.983 38.000 0.146 0.000 1.398 176 I HN 0.313 8.606 8.210 0.139 0.000 0.475 177 T N 2.381 117.009 114.554 0.122 0.000 2.810 177 T HA 0.132 4.494 4.350 0.020 0.000 0.277 177 T C 1.114 175.799 174.700 -0.025 0.000 0.973 177 T CA -1.637 60.490 62.100 0.044 0.000 0.949 177 T CB 2.427 71.344 68.868 0.080 0.000 1.075 177 T HN -0.493 7.853 8.240 0.177 0.000 0.537 178 E N 0.332 120.413 120.200 -0.198 0.000 2.472 178 E HA -0.210 4.044 4.350 -0.161 0.000 0.200 178 E C -0.325 176.058 176.600 -0.362 0.000 1.046 178 E CA 2.079 58.290 56.400 -0.316 0.000 0.871 178 E CB -1.273 28.150 29.700 -0.462 0.000 0.806 178 E HN 0.607 8.837 8.360 -0.217 0.000 0.533 179 Y N -1.849 118.477 120.300 0.043 0.000 2.493 179 Y HA 0.078 4.686 4.550 0.096 0.000 0.275 179 Y C -1.246 174.748 175.900 0.157 0.000 1.183 179 Y CA 0.140 58.287 58.100 0.080 0.000 1.258 179 Y CB -0.595 37.844 38.460 -0.034 0.000 1.108 179 Y HN -0.753 7.367 8.280 -0.133 0.081 0.521 180 M N -1.921 117.825 119.600 0.243 0.000 2.716 180 M HA 0.896 5.710 4.480 0.229 -0.196 0.278 180 M C -2.215 174.245 176.300 0.266 0.000 1.281 180 M CA -1.091 54.348 55.300 0.232 0.000 0.814 180 M CB 5.287 38.020 32.600 0.222 0.000 1.719 180 M HN -0.407 7.887 8.290 0.151 0.086 0.457 181 F N -6.119 113.864 119.950 0.055 0.000 2.693 181 F HA 0.630 5.138 4.527 -0.032 0.000 0.309 181 F C -2.868 172.941 175.800 0.014 0.000 1.129 181 F CA -1.343 56.652 58.000 -0.009 0.000 0.948 181 F CB 2.204 41.170 39.000 -0.057 0.000 1.315 181 F HN -0.070 8.212 8.300 -0.030 0.000 0.447 182 c N -0.794 117.903 118.600 0.161 0.000 2.454 182 c HA 1.067 5.864 4.570 0.046 -0.199 0.336 182 c C -1.403 172.762 174.090 0.125 0.000 1.189 182 c CA -2.376 53.986 56.329 0.057 0.000 1.877 182 c CB 3.168 45.629 42.510 -0.081 0.000 2.348 182 c HN 0.533 8.871 8.230 0.180 0.000 0.508 183 A N 0.896 123.823 122.820 0.178 0.000 2.456 183 A HA 0.799 5.291 4.320 0.055 -0.138 0.288 183 A C -2.310 175.445 177.584 0.284 0.000 1.042 183 A CA -0.502 51.622 52.037 0.146 0.000 0.738 183 A CB 3.019 22.065 19.000 0.078 0.000 1.266 183 A HN 0.817 9.137 8.150 0.283 0.000 0.407 184 Y N 3.091 123.473 120.300 0.137 0.000 2.307 184 Y HA 0.130 4.759 4.550 0.131 0.000 0.324 184 Y C 0.563 176.231 175.900 -0.386 0.000 1.238 184 Y CA 0.300 58.395 58.100 -0.008 0.000 1.280 184 Y CB 2.126 40.602 38.460 0.027 0.000 1.248 184 Y HN 0.140 8.602 8.280 0.303 0.000 0.508 185 S N -0.337 115.185 115.700 -0.296 0.000 2.524 185 S HA 0.074 4.375 4.470 -0.653 -0.223 0.215 185 S C 0.487 175.003 174.600 -0.141 0.000 0.986 185 S CA 0.053 57.978 58.200 -0.459 0.000 0.911 185 S CB 1.110 64.032 63.200 -0.463 0.000 0.805 185 S HN 0.481 8.757 8.310 -0.057 0.000 0.501 186 D N 0.310 120.694 120.400 -0.026 0.000 2.323 186 D HA -0.115 4.520 4.640 -0.008 0.000 0.239 186 D C -0.297 175.998 176.300 -0.008 0.000 1.129 186 D CA -0.997 53.003 54.000 0.000 0.000 0.865 186 D CB -1.438 39.381 40.800 0.031 0.000 0.913 186 D HN -0.106 8.233 8.370 0.035 0.051 0.517 187 G N -0.462 108.328 108.800 -0.015 0.000 2.296 187 G HA2 -0.464 3.492 3.960 -0.008 0.000 0.263 187 G HA3 -0.464 3.520 3.960 -0.010 -0.030 0.263 187 G C 0.108 174.995 174.900 -0.022 0.000 0.887 187 G CA 0.709 45.802 45.100 -0.012 0.000 1.318 187 G HN -0.143 8.016 8.290 -0.034 0.111 0.403 188 K N 2.123 122.461 120.400 -0.103 0.000 2.580 188 K HA -0.278 4.231 4.320 -0.032 -0.209 0.278 188 K C -0.489 176.189 176.600 0.130 0.000 0.960 188 K CA 0.915 57.181 56.287 -0.036 0.000 0.988 188 K CB 0.369 32.755 32.500 -0.192 0.000 0.887 188 K HN -0.368 7.838 8.250 -0.072 0.000 0.509 189 D N -0.519 119.961 120.400 0.134 0.000 2.940 189 D HA 0.155 4.940 4.640 0.243 0.000 0.304 189 D C -2.178 174.200 176.300 0.131 0.000 1.255 189 D CA -0.198 53.901 54.000 0.165 0.000 0.734 189 D CB 3.127 43.990 40.800 0.104 0.000 1.261 189 D HN -0.010 8.416 8.370 0.093 0.000 0.436 190 S N -0.713 115.069 115.700 0.136 0.000 2.730 190 S HA 0.299 4.828 4.470 0.098 0.000 0.284 190 S C -1.708 172.920 174.600 0.047 0.000 1.153 190 S CA 0.478 58.741 58.200 0.105 0.000 0.995 190 S CB 2.315 65.606 63.200 0.151 0.000 1.058 190 S HN 0.224 8.623 8.310 0.149 0.000 0.552 191 c N -1.977 116.645 118.600 0.036 0.000 3.258 191 c HA 0.228 4.806 4.570 0.013 0.000 0.376 191 c C -1.693 172.415 174.090 0.031 0.000 1.869 191 c CA -1.091 55.252 56.329 0.024 0.000 1.189 191 c CB 2.773 45.297 42.510 0.024 0.000 2.230 191 c HN 0.472 9.046 8.230 0.043 -0.318 0.432 192 K N 1.624 122.042 120.400 0.030 0.000 2.436 192 K HA -0.201 4.148 4.320 0.048 0.000 0.275 192 K C 1.025 177.653 176.600 0.048 0.000 0.999 192 K CA 1.789 58.100 56.287 0.040 0.000 0.980 192 K CB 0.498 33.016 32.500 0.030 0.000 0.919 192 K HN 0.015 8.279 8.250 0.024 0.000 0.484 193 G N 5.999 114.833 108.800 0.056 0.000 2.258 193 G HA2 -0.356 3.639 3.960 0.059 0.000 0.233 193 G HA3 -0.356 3.650 3.960 0.077 0.000 0.233 193 G C 0.556 175.508 174.900 0.087 0.000 1.006 193 G CA 1.156 46.298 45.100 0.070 0.000 0.620 193 G HN 0.597 8.922 8.290 0.059 0.000 0.511 194 D N 1.774 122.217 120.400 0.072 0.000 2.327 194 D HA 0.045 4.733 4.640 0.080 0.000 0.205 194 D C 0.291 176.635 176.300 0.072 0.000 0.989 194 D CA 1.040 55.083 54.000 0.071 0.000 0.873 194 D CB 0.760 41.596 40.800 0.060 0.000 0.955 194 D HN -0.227 8.075 8.370 0.062 0.106 0.515 195 S N -0.475 115.266 115.700 0.067 0.000 2.593 195 S HA -0.604 4.056 4.470 0.079 -0.143 0.303 195 S C 0.981 175.594 174.600 0.022 0.000 1.267 195 S CA 2.575 60.818 58.200 0.071 0.000 1.047 195 S CB -0.152 63.129 63.200 0.134 0.000 0.777 195 S HN -0.681 7.670 8.310 0.070 0.000 0.498 196 G N 4.291 113.102 108.800 0.020 0.000 2.320 196 G HA2 -0.478 3.577 3.960 0.009 0.000 0.242 196 G HA3 -0.478 3.572 3.960 -0.022 -0.103 0.242 196 G C 0.266 175.223 174.900 0.096 0.000 1.033 196 G CA 0.220 45.331 45.100 0.019 0.000 0.620 196 G HN 0.718 9.036 8.290 0.046 0.000 0.517 197 G N 1.295 110.163 108.800 0.113 0.000 2.653 197 G HA2 0.293 4.422 3.960 0.161 0.000 0.265 197 G HA3 0.293 4.335 3.960 0.137 0.000 0.265 197 G C -2.567 172.451 174.900 0.197 0.000 1.237 197 G CA -1.652 43.539 45.100 0.152 0.000 0.946 197 G HN -0.191 8.030 8.290 0.093 0.125 0.522 198 P HA 0.359 5.067 4.420 0.266 -0.128 0.281 198 P C -1.814 175.664 177.300 0.298 0.000 1.264 198 P CA -0.869 62.386 63.100 0.259 0.000 0.824 198 P CB 2.488 34.341 31.700 0.255 0.000 1.092 199 H N 1.036 120.233 119.070 0.211 0.000 3.078 199 H HA 0.551 5.397 4.556 0.147 -0.202 0.319 199 H C -2.194 173.258 175.328 0.206 0.000 0.995 199 H CA -1.076 55.075 56.048 0.171 0.000 1.417 199 H CB 2.151 31.985 29.762 0.120 0.000 1.598 199 H HN -0.157 8.336 8.280 0.356 0.000 0.515 200 A N 7.997 130.908 122.820 0.151 0.000 2.342 200 A HA 0.995 5.668 4.320 0.272 -0.190 0.323 200 A C -1.845 175.967 177.584 0.381 0.000 1.125 200 A CA -2.003 50.202 52.037 0.281 0.000 0.785 200 A CB 3.170 22.317 19.000 0.246 0.000 1.221 200 A HN 0.872 9.051 8.150 0.049 0.000 0.463 201 T N 5.417 120.184 114.554 0.355 0.000 2.823 201 T HA 0.258 4.706 4.350 0.163 0.000 0.279 201 T C -1.664 173.055 174.700 0.031 0.000 0.998 201 T CA -0.451 61.767 62.100 0.197 0.000 0.994 201 T CB 2.056 71.008 68.868 0.140 0.000 0.960 201 T HN 0.613 8.959 8.240 0.352 0.105 0.448 202 H N 8.140 126.875 119.070 -0.557 0.000 2.594 202 H HA 0.370 4.337 4.556 -1.282 -0.180 0.304 202 H C -1.350 173.810 175.328 -0.281 0.000 1.068 202 H CA -1.082 54.351 56.048 -1.025 0.000 1.308 202 H CB 0.697 29.518 29.762 -1.568 0.000 1.409 202 H HN 0.404 8.551 8.280 -0.221 0.000 0.460 203 Y N 7.958 128.050 120.300 -0.346 0.000 2.346 203 Y HA 0.158 4.542 4.550 -0.277 0.000 0.332 203 Y C -1.086 174.704 175.900 -0.184 0.000 0.985 203 Y CA -0.869 57.115 58.100 -0.194 0.000 1.112 203 Y CB 3.004 41.465 38.460 0.002 0.000 1.170 203 Y HN 0.961 9.202 8.280 -0.065 0.000 0.447 204 R N 8.182 128.174 120.500 -0.847 0.000 3.184 204 R HA -0.389 3.636 4.340 -0.525 0.000 0.242 204 R C -0.683 175.429 176.300 -0.314 0.000 0.907 204 R CA 1.258 57.004 56.100 -0.589 0.000 0.618 204 R CB -1.891 28.034 30.300 -0.625 0.000 1.016 204 R HN 0.959 8.662 8.270 -0.945 0.000 0.469 205 G N -4.334 104.234 108.800 -0.387 0.000 2.195 205 G HA2 -0.333 3.664 3.960 0.061 0.000 0.246 205 G HA3 -0.333 3.614 3.960 -0.023 0.000 0.246 205 G C -0.346 174.598 174.900 0.073 0.000 0.984 205 G CA -0.196 44.860 45.100 -0.072 0.000 0.633 205 G HN 0.412 8.259 8.290 -0.738 0.000 0.525 206 T N 1.377 115.916 114.554 -0.024 0.000 2.930 206 T HA 0.272 4.718 4.350 0.161 0.000 0.290 206 T C -1.809 172.816 174.700 -0.125 0.000 1.052 206 T CA -0.257 61.842 62.100 -0.000 0.000 1.017 206 T CB 3.166 71.969 68.868 -0.108 0.000 1.137 206 T HN -0.422 7.693 8.240 -0.115 0.057 0.511 207 W N -0.020 121.152 121.300 -0.213 0.000 2.689 207 W HA 0.673 5.643 4.660 0.146 -0.222 0.340 207 W C -1.014 175.154 176.519 -0.585 0.000 1.060 207 W CA -1.067 56.158 57.345 -0.200 0.000 1.218 207 W CB 3.296 32.560 29.460 -0.327 0.000 1.410 207 W HN 0.259 8.427 8.180 -0.019 0.000 0.528 208 Y N -3.080 117.296 120.300 0.126 0.000 2.581 208 Y HA 0.548 5.282 4.550 0.024 -0.169 0.345 208 Y C -1.267 174.674 175.900 0.069 0.000 1.036 208 Y CA -1.758 56.388 58.100 0.077 0.000 1.042 208 Y CB 3.812 42.364 38.460 0.154 0.000 1.289 208 Y HN 0.860 9.269 8.280 0.390 0.105 0.471 209 L N 1.416 122.775 121.223 0.226 0.000 2.295 209 L HA 0.315 4.763 4.340 0.180 0.000 0.288 209 L C -0.168 176.852 176.870 0.249 0.000 1.079 209 L CA -0.778 54.180 54.840 0.197 0.000 0.830 209 L CB 0.104 42.255 42.059 0.154 0.000 1.200 209 L HN 0.175 8.551 8.230 0.243 0.000 0.438 210 T N 2.889 117.621 114.554 0.297 0.000 3.000 210 T HA 0.194 4.635 4.350 0.152 0.000 0.248 210 T C -0.149 174.752 174.700 0.335 0.000 1.034 210 T CA 0.331 62.571 62.100 0.233 0.000 1.060 210 T CB 1.718 70.686 68.868 0.167 0.000 0.983 210 T HN 0.302 8.762 8.240 0.367 0.000 0.482 211 G N -0.083 108.972 108.800 0.425 0.000 2.695 211 G HA2 0.716 5.143 3.960 0.431 0.000 0.290 211 G HA3 0.716 4.856 3.960 0.300 0.000 0.290 211 G C -3.442 171.671 174.900 0.355 0.000 1.410 211 G CA -0.392 44.949 45.100 0.402 0.000 0.844 211 G HN -0.502 8.075 8.290 0.480 0.000 0.478 212 I N -1.500 119.241 120.570 0.286 0.000 2.465 212 I HA 0.455 4.957 4.170 0.255 -0.180 0.291 212 I C -0.313 175.924 176.117 0.199 0.000 1.014 212 I CA -1.314 60.124 61.300 0.230 0.000 1.093 212 I CB 3.950 42.032 38.000 0.137 0.000 1.267 212 I HN -0.364 8.064 8.210 0.229 -0.081 0.431 213 V N 7.667 127.694 119.914 0.188 0.000 2.509 213 V HA -0.272 3.621 4.120 -0.380 0.000 0.297 213 V C -1.278 174.757 176.094 -0.097 0.000 1.014 213 V CA 2.330 64.603 62.300 -0.045 0.000 1.127 213 V CB -0.808 31.062 31.823 0.079 0.000 0.925 213 V HN 0.727 8.935 8.190 0.225 0.117 0.480 214 S N 7.572 123.110 115.700 -0.271 0.000 2.979 214 S HA 0.352 4.932 4.470 0.183 0.000 0.243 214 S C -0.875 173.802 174.600 0.128 0.000 1.036 214 S CA 0.828 59.044 58.200 0.027 0.000 0.846 214 S CB 2.338 65.585 63.200 0.079 0.000 0.806 214 S HN -0.000 7.907 8.310 -0.672 0.000 0.568 215 W N -2.789 118.383 121.300 -0.214 0.000 2.803 215 W HA 0.243 4.809 4.660 -0.156 0.000 0.424 215 W C -2.878 173.557 176.519 -0.140 0.000 1.092 215 W CA -0.527 56.719 57.345 -0.167 0.000 1.184 215 W CB 0.501 29.871 29.460 -0.150 0.000 1.470 215 W HN -0.393 7.495 8.180 -0.486 0.000 0.598 216 G N -3.587 105.295 108.800 0.138 0.000 2.313 216 G HA2 -0.088 3.615 3.960 -0.427 0.000 0.296 216 G HA3 -0.088 3.759 3.960 -0.188 0.000 0.296 216 G C -1.454 173.517 174.900 0.119 0.000 1.356 216 G CA -0.387 44.653 45.100 -0.100 0.000 0.833 216 G HN -0.344 8.254 8.290 0.513 0.000 0.552 220 c N 2.391 120.979 118.600 -0.019 0.000 3.236 220 c HA 0.359 5.085 4.570 -0.005 -0.158 0.208 220 c C -1.681 172.407 174.090 -0.002 0.000 1.879 220 c CA -0.939 55.388 56.329 -0.005 0.000 1.262 220 c CB -0.746 41.766 42.510 0.004 0.000 2.186 220 c HN 0.240 8.564 8.230 -0.023 -0.108 0.552 221 T N 0.230 114.780 114.554 -0.007 0.000 3.343 221 T HA 0.145 4.489 4.350 -0.010 0.000 0.383 221 T C -1.342 173.388 174.700 0.050 0.000 1.615 221 T CA 0.250 62.347 62.100 -0.005 0.000 1.153 221 T CB 2.908 71.724 68.868 -0.087 0.000 1.434 221 T HN -0.108 8.125 8.240 -0.011 0.000 0.476 222 V N 5.794 125.739 119.914 0.051 0.000 2.673 222 V HA -0.184 4.136 4.120 -0.009 -0.205 0.303 222 V C 1.829 177.992 176.094 0.114 0.000 1.046 222 V CA 0.852 63.176 62.300 0.040 0.000 1.126 222 V CB -0.019 31.820 31.823 0.027 0.000 0.934 222 V HN 0.281 8.491 8.190 0.033 0.000 0.487 223 G N 6.267 115.047 108.800 -0.033 0.000 2.143 223 G HA2 -0.455 3.402 3.960 -0.172 0.000 0.248 223 G HA3 -0.455 3.434 3.960 -0.119 0.000 0.248 223 G C -1.591 173.018 174.900 -0.484 0.000 0.991 223 G CA 0.852 45.851 45.100 -0.169 0.000 0.689 223 G HN 0.861 8.992 8.290 -0.085 0.109 0.522 224 H N -2.550 116.387 119.070 -0.222 0.000 2.928 224 H HA 0.372 4.904 4.556 -0.039 0.000 0.371 224 H C -1.557 173.507 175.328 -0.440 0.000 1.186 224 H CA -1.006 54.932 56.048 -0.183 0.000 1.134 224 H CB 3.732 33.452 29.762 -0.070 0.000 1.824 224 H HN -0.723 7.434 8.280 -0.143 0.037 0.554 225 F N -1.462 118.526 119.950 0.062 0.000 2.631 225 F HA 0.251 4.814 4.527 0.060 0.000 0.328 225 F C -0.021 175.749 175.800 -0.051 0.000 1.067 225 F CA -1.279 56.732 58.000 0.017 0.000 0.969 225 F CB 3.934 42.924 39.000 -0.017 0.000 1.332 225 F HN 0.334 8.772 8.300 0.230 0.000 0.490 226 G N -0.124 108.795 108.800 0.199 0.000 2.420 226 G HA2 0.289 4.132 3.960 -0.196 0.000 0.284 226 G HA3 0.289 4.384 3.960 0.087 -0.082 0.284 226 G C -2.237 172.553 174.900 -0.184 0.000 1.177 226 G CA -0.563 44.517 45.100 -0.034 0.000 0.841 226 G HN 0.502 8.996 8.290 0.341 0.000 0.527 227 V N 3.321 122.808 119.914 -0.711 0.000 2.398 227 V HA 0.637 4.685 4.120 -0.418 -0.180 0.286 227 V C -0.910 174.598 176.094 -0.977 0.000 1.026 227 V CA -0.938 60.883 62.300 -0.798 0.000 0.868 227 V CB 1.305 32.223 31.823 -1.508 0.000 0.982 227 V HN 0.121 7.799 8.190 -0.853 0.000 0.443 228 Y N 6.512 126.431 120.300 -0.636 0.000 2.468 228 Y HA 0.611 5.109 4.550 -0.347 -0.157 0.342 228 Y C 0.393 176.045 175.900 -0.415 0.000 1.021 228 Y CA -2.067 55.644 58.100 -0.649 0.000 1.079 228 Y CB 3.185 40.874 38.460 -1.285 0.000 1.226 228 Y HN 1.025 9.038 8.280 -0.445 0.000 0.460 229 T N 4.058 118.607 114.554 -0.007 0.000 2.901 229 T HA -0.042 4.552 4.350 0.176 -0.139 0.301 229 T C -0.650 174.225 174.700 0.292 0.000 1.012 229 T CA 1.661 63.848 62.100 0.144 0.000 1.135 229 T CB 0.542 69.463 68.868 0.089 0.000 0.936 229 T HN 0.403 8.652 8.240 0.016 0.000 0.539 230 R N 6.923 127.685 120.500 0.437 0.000 2.220 230 R HA 0.001 4.770 4.340 0.716 0.000 0.340 230 R C 1.084 177.656 176.300 0.452 0.000 1.076 230 R CA -0.105 56.308 56.100 0.521 0.000 0.920 230 R CB -0.031 30.509 30.300 0.400 0.000 1.062 230 R HN -0.141 8.273 8.270 0.417 0.106 0.469 231 V N 8.481 128.628 119.914 0.387 0.000 2.427 231 V HA -0.469 3.936 4.120 0.475 0.000 0.248 231 V C 1.129 177.421 176.094 0.330 0.000 1.051 231 V CA 3.809 66.334 62.300 0.376 0.000 1.048 231 V CB -0.045 31.947 31.823 0.282 0.000 0.666 231 V HN 0.276 8.701 8.190 0.393 0.000 0.456 232 S N -0.441 115.381 115.700 0.203 0.000 2.423 232 S HA -0.378 4.169 4.470 0.129 0.000 0.238 232 S C 1.349 176.029 174.600 0.133 0.000 1.028 232 S CA 3.202 61.477 58.200 0.126 0.000 1.000 232 S CB -0.704 62.510 63.200 0.022 0.000 0.797 232 S HN 0.264 8.675 8.310 0.169 0.000 0.487 233 Q N -1.189 118.691 119.800 0.133 0.000 2.472 233 Q HA -0.096 4.281 4.340 0.062 0.000 0.208 233 Q C 0.832 176.764 176.000 -0.113 0.000 0.958 233 Q CA 1.697 57.508 55.803 0.012 0.000 0.932 233 Q CB 0.304 29.042 28.738 -0.000 0.000 1.007 233 Q HN -0.575 7.775 8.270 0.196 0.038 0.508 234 Y N -3.157 117.308 120.300 0.274 0.000 2.527 234 Y HA 0.193 5.130 4.550 0.515 -0.078 0.247 234 Y C 1.016 177.135 175.900 0.365 0.000 1.138 234 Y CA 0.325 58.620 58.100 0.326 0.000 1.228 234 Y CB 0.951 39.477 38.460 0.110 0.000 1.252 234 Y HN 0.186 8.482 8.280 0.335 0.185 0.531 235 I N 1.099 121.888 120.570 0.366 0.000 2.145 235 I HA -0.685 3.645 4.170 0.266 0.000 0.244 235 I C 1.237 177.497 176.117 0.239 0.000 1.075 235 I CA 5.139 66.599 61.300 0.266 0.000 1.332 235 I CB -0.564 37.549 38.000 0.188 0.000 1.033 235 I HN -0.815 7.580 8.210 0.309 0.000 0.410 236 E N -1.709 118.631 120.200 0.233 0.000 2.048 236 E HA -0.400 4.158 4.350 0.117 -0.138 0.202 236 E C 1.961 178.693 176.600 0.221 0.000 1.021 236 E CA 2.901 59.409 56.400 0.180 0.000 0.825 236 E CB -1.188 28.602 29.700 0.151 0.000 0.756 236 E HN 0.345 8.836 8.360 0.233 0.009 0.454 237 W N 0.101 121.488 121.300 0.145 0.000 2.318 237 W HA -0.318 4.414 4.660 0.121 0.000 0.313 237 W C 1.991 178.560 176.519 0.084 0.000 1.221 237 W CA 3.317 60.768 57.345 0.176 0.000 1.266 237 W CB 0.007 29.724 29.460 0.428 0.000 1.150 237 W HN -0.364 8.131 8.180 0.526 0.000 0.496 238 L N -2.742 118.652 121.223 0.286 0.000 1.973 238 L HA -0.623 3.549 4.340 -0.279 0.000 0.208 238 L C 2.119 178.861 176.870 -0.214 0.000 1.073 238 L CA 3.385 58.203 54.840 -0.037 0.000 0.746 238 L CB -0.607 41.525 42.059 0.120 0.000 0.891 238 L HN 0.319 8.768 8.230 0.503 0.083 0.433 239 Q N -2.072 117.676 119.800 -0.086 0.000 2.133 239 Q HA -0.426 3.820 4.340 -0.156 0.000 0.208 239 Q C 2.295 178.201 176.000 -0.156 0.000 0.991 239 Q CA 2.839 58.574 55.803 -0.114 0.000 0.867 239 Q CB -0.334 28.389 28.738 -0.026 0.000 0.911 239 Q HN -0.232 8.053 8.270 0.024 0.000 0.417 240 K N -1.817 118.502 120.400 -0.134 0.000 2.097 240 K HA -0.235 4.027 4.320 -0.097 0.000 0.206 240 K C 1.761 178.228 176.600 -0.221 0.000 1.049 240 K CA 2.470 58.674 56.287 -0.137 0.000 0.933 240 K CB 0.184 32.627 32.500 -0.095 0.000 0.717 240 K HN -0.379 7.804 8.250 -0.085 0.015 0.442 241 L N -1.070 119.935 121.223 -0.363 0.000 2.072 241 L HA -0.195 3.948 4.340 -0.328 0.000 0.205 241 L C 3.142 179.733 176.870 -0.465 0.000 1.079 241 L CA 2.629 57.200 54.840 -0.448 0.000 0.752 241 L CB 0.197 41.840 42.059 -0.692 0.000 0.906 241 L HN -0.375 7.514 8.230 -0.393 0.106 0.436 242 M N -4.298 114.916 119.600 -0.645 0.000 2.700 242 M HA -0.267 3.600 4.480 -1.021 0.000 0.249 242 M C 0.836 177.028 176.300 -0.181 0.000 1.082 242 M CA 2.483 57.353 55.300 -0.716 0.000 1.077 242 M CB -0.666 31.429 32.600 -0.840 0.000 1.477 242 M HN 0.028 7.955 8.290 -0.604 0.000 0.529 243 R N -3.820 116.599 120.500 -0.135 0.000 2.509 243 R HA 0.072 4.415 4.340 0.005 0.000 0.297 243 R C -0.269 176.018 176.300 -0.022 0.000 0.951 243 R CA -0.597 55.479 56.100 -0.040 0.000 1.103 243 R CB 1.008 31.280 30.300 -0.046 0.000 1.283 243 R HN -0.716 7.221 8.270 -0.196 0.215 0.534 244 S N 2.708 118.386 115.700 -0.037 0.000 2.652 244 S HA 0.043 4.498 4.470 -0.024 0.000 0.267 244 S C -0.327 174.289 174.600 0.026 0.000 1.201 244 S CA 0.053 58.241 58.200 -0.020 0.000 0.996 244 S CB 0.572 63.742 63.200 -0.050 0.000 1.054 244 S HN -0.336 7.737 8.310 -0.076 0.191 0.561 245 E N 0.319 120.529 120.200 0.017 0.000 2.191 245 E HA 0.351 4.722 4.350 0.035 0.000 0.274 245 E C -2.192 174.422 176.600 0.024 0.000 0.948 245 E CA -2.626 53.788 56.400 0.023 0.000 0.802 245 E CB -0.036 29.668 29.700 0.008 0.000 1.137 245 E HN 0.069 8.430 8.360 0.002 0.000 0.397 246 P HA -0.193 4.238 4.420 0.019 0.000 0.259 246 P C -0.712 176.583 177.300 -0.009 0.000 1.163 246 P CA 0.835 63.936 63.100 0.002 0.000 0.760 246 P CB 0.285 31.966 31.700 -0.031 0.000 0.762 247 R N 4.602 125.095 120.500 -0.012 0.000 2.873 247 R HA 0.448 4.778 4.340 -0.018 0.000 0.264 247 R C -1.579 174.702 176.300 -0.030 0.000 1.026 247 R CA -2.895 53.194 56.100 -0.019 0.000 1.002 247 R CB 0.701 30.991 30.300 -0.016 0.000 1.174 247 R HN 0.212 8.479 8.270 -0.006 0.000 0.488 248 P HA 0.252 4.647 4.420 -0.040 0.000 0.211 248 P C -1.277 175.991 177.300 -0.054 0.000 1.856 248 P CA -0.513 62.563 63.100 -0.040 0.000 0.962 248 P CB -1.041 30.640 31.700 -0.031 0.000 1.785 249 G N -0.537 108.223 108.800 -0.067 0.000 2.672 249 G HA2 0.179 4.072 3.960 -0.111 0.000 0.292 249 G HA3 0.179 4.072 3.960 -0.112 0.000 0.292 249 G C -1.782 173.047 174.900 -0.119 0.000 1.375 249 G CA -0.096 44.941 45.100 -0.105 0.000 0.890 249 G HN -0.731 7.454 8.290 -0.058 0.069 0.476 250 V N -1.935 117.865 119.914 -0.191 0.000 2.581 250 V HA 0.039 4.256 4.120 -0.072 -0.139 0.240 250 V C -0.583 175.377 176.094 -0.223 0.000 1.054 250 V CA 0.722 62.928 62.300 -0.156 0.000 1.076 250 V CB 1.006 32.754 31.823 -0.125 0.000 0.748 250 V HN -0.024 8.010 8.190 -0.259 0.000 0.474 251 L N -1.402 119.549 121.223 -0.452 0.000 2.282 251 L HA 0.775 5.172 4.340 -0.204 -0.179 0.288 251 L C -1.703 175.050 176.870 -0.194 0.000 1.033 251 L CA -1.073 53.544 54.840 -0.372 0.000 0.807 251 L CB 1.404 43.079 42.059 -0.640 0.000 1.209 251 L HN -0.654 7.236 8.230 -0.568 0.000 0.423 252 L N 6.612 127.784 121.223 -0.085 0.000 2.408 252 L HA 0.454 4.766 4.340 -0.047 0.000 0.268 252 L C -2.409 174.483 176.870 0.036 0.000 0.986 252 L CA -1.252 53.569 54.840 -0.031 0.000 0.820 252 L CB 4.313 46.359 42.059 -0.023 0.000 1.303 252 L HN 0.919 9.112 8.230 -0.062 0.000 0.411 253 R N 4.945 125.483 120.500 0.062 0.000 2.275 253 R HA 0.765 5.431 4.340 0.173 -0.222 0.326 253 R C -0.834 175.563 176.300 0.162 0.000 0.973 253 R CA -1.722 54.458 56.100 0.133 0.000 0.854 253 R CB 0.698 31.067 30.300 0.115 0.000 1.156 253 R HN 0.378 8.670 8.270 0.036 0.000 0.487 254 A N 7.179 130.158 122.820 0.265 0.000 2.290 254 A HA 0.381 4.788 4.320 0.144 0.000 0.310 254 A C -1.822 176.034 177.584 0.453 0.000 1.202 254 A CA -2.686 49.510 52.037 0.264 0.000 0.837 254 A CB -0.008 19.047 19.000 0.092 0.000 1.139 254 A HN 0.459 8.825 8.150 0.359 0.000 0.509 255 P HA -0.273 4.273 4.420 0.210 0.000 0.257 255 P C -1.813 175.792 177.300 0.508 0.000 1.144 255 P CA 1.290 64.565 63.100 0.291 0.000 0.761 255 P CB -0.498 31.299 31.700 0.162 0.000 0.734 256 F N 6.149 126.186 119.950 0.144 0.000 2.557 256 F HA 0.406 4.996 4.527 0.105 0.000 0.316 256 F C -2.724 173.026 175.800 -0.083 0.000 1.141 256 F CA -3.303 54.664 58.000 -0.056 0.000 0.922 256 F CB 3.106 41.831 39.000 -0.458 0.000 1.194 256 F HN -0.013 8.422 8.300 0.225 0.000 0.443 257 P HA 0.000 3.000 4.420 -2.367 0.000 0.216 257 P CA 0.000 62.471 63.100 -1.048 0.000 0.800 257 P CB 0.000 31.317 31.700 -0.639 0.000 0.726