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 3p9y_1_B DATA FIRST_RESID -2 DATA SEQUENCE GSHMTDPSKL AVAVVDSSNM NRSMEAHNFL AKKGFNVRSY GTGERVKLPG DATA SEQUENCE MAFDKPNVYE FGTKYEDIYR DLESKDKEFY TQNGLLHMLD RNRRIKKCPE DATA SEQUENCE RFQDTKEQFD IIVTVEERVY DLVVMHMESM ESVDNRPVHV LNVDVVNNAE DATA SEQUENCE DALMGAFVIT DMINMMAKST DLDNDIDELI QEFEERRKRV ILHSVLFY 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.948 3.960 -0.019 0.000 0.244 -2 G C 0.000 174.860 174.900 -0.066 0.000 0.946 -2 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 -1 S N -1.223 114.430 115.700 -0.079 0.000 2.423 -1 S HA -0.029 4.307 4.470 -0.223 0.000 0.231 -1 S C -0.104 174.223 174.600 -0.454 0.000 1.014 -1 S CA 0.935 58.999 58.200 -0.227 0.000 0.965 -1 S CB 0.025 63.120 63.200 -0.174 0.000 0.785 -1 S HN 0.260 8.548 8.310 -0.038 0.000 0.495 0 H N -1.055 117.993 119.070 -0.037 0.000 2.928 0 H HA 0.103 4.631 4.556 -0.047 0.000 0.371 0 H C -1.257 174.037 175.328 -0.057 0.000 1.186 0 H CA -1.028 54.992 56.048 -0.047 0.000 1.134 0 H CB 1.637 31.372 29.762 -0.046 0.000 1.824 0 H HN -0.728 7.550 8.280 0.034 0.022 0.554 1 M N 1.150 120.787 119.600 0.062 0.000 2.251 1 M HA -0.006 4.458 4.480 -0.027 0.000 0.343 1 M C -0.166 176.113 176.300 -0.036 0.000 1.245 1 M CA 1.085 56.377 55.300 -0.014 0.000 1.061 1 M CB 0.614 33.184 32.600 -0.049 0.000 1.723 1 M HN 0.321 8.654 8.290 0.072 0.000 0.449 2 T N -1.893 112.616 114.554 -0.075 0.000 2.896 2 T HA 0.207 4.485 4.350 -0.120 0.000 0.297 2 T C -1.371 173.216 174.700 -0.188 0.000 1.108 2 T CA -1.543 60.491 62.100 -0.111 0.000 1.004 2 T CB 2.121 70.950 68.868 -0.065 0.000 1.159 2 T HN -0.089 8.107 8.240 -0.074 0.000 0.499 3 D N 2.578 122.821 120.400 -0.260 0.000 2.649 3 D HA 0.352 4.829 4.640 -0.272 0.000 0.249 3 D C -0.634 175.553 176.300 -0.188 0.000 1.112 3 D CA -2.589 51.210 54.000 -0.335 0.000 0.850 3 D CB 2.351 42.670 40.800 -0.801 0.000 1.399 3 D HN 0.176 8.402 8.370 -0.240 0.000 0.503 4 P HA -0.036 4.357 4.420 -0.044 0.000 0.226 4 P C -0.474 176.814 177.300 -0.020 0.000 1.153 4 P CA 0.363 63.434 63.100 -0.049 0.000 0.777 4 P CB 0.656 32.341 31.700 -0.025 0.000 0.794 5 S N 0.577 116.269 115.700 -0.013 0.000 2.558 5 S HA -0.198 4.312 4.470 0.067 0.000 0.288 5 S C 0.142 174.784 174.600 0.070 0.000 1.318 5 S CA 0.633 58.873 58.200 0.065 0.000 1.056 5 S CB 0.432 63.737 63.200 0.175 0.000 0.853 5 S HN -0.522 7.986 8.310 -0.052 -0.230 0.505 6 K N 3.982 124.430 120.400 0.081 0.000 2.372 6 K HA 0.164 4.525 4.320 0.068 0.000 0.200 6 K C -0.136 176.528 176.600 0.107 0.000 1.022 6 K CA -1.189 55.144 56.287 0.078 0.000 1.125 6 K CB -1.233 31.301 32.500 0.057 0.000 0.855 6 K HN 0.311 8.610 8.250 0.081 0.000 0.524 7 L N 0.460 121.769 121.223 0.142 0.000 2.485 7 L HA -0.240 4.352 4.340 0.137 -0.170 0.275 7 L C -0.828 176.146 176.870 0.174 0.000 1.207 7 L CA 0.409 55.341 54.840 0.154 0.000 0.855 7 L CB 0.338 42.490 42.059 0.155 0.000 1.114 7 L HN -0.825 7.440 8.230 0.157 0.060 0.485 8 A N 2.682 125.613 122.820 0.185 0.000 2.260 8 A HA 0.481 5.066 4.320 0.231 -0.126 0.314 8 A C -1.336 176.437 177.584 0.316 0.000 1.257 8 A CA -1.415 50.772 52.037 0.250 0.000 0.871 8 A CB 1.454 20.591 19.000 0.228 0.000 1.166 8 A HN 0.062 8.616 8.150 0.177 -0.298 0.522 9 V N 4.100 124.154 119.914 0.235 0.000 2.769 9 V HA 0.876 5.236 4.120 0.065 -0.201 0.312 9 V C -1.704 174.285 176.094 -0.176 0.000 1.061 9 V CA -2.295 60.034 62.300 0.047 0.000 0.931 9 V CB 4.081 35.871 31.823 -0.055 0.000 1.010 9 V HN 0.389 8.709 8.190 0.216 0.000 0.433 10 A N 4.374 126.918 122.820 -0.460 0.000 2.374 10 A HA 1.029 5.255 4.320 -0.519 -0.217 0.317 10 A C -1.981 175.420 177.584 -0.305 0.000 1.094 10 A CA -2.539 49.124 52.037 -0.623 0.000 0.765 10 A CB 3.698 21.938 19.000 -1.266 0.000 1.268 10 A HN 0.409 8.344 8.150 -0.359 0.000 0.438 11 V N 1.624 121.415 119.914 -0.204 0.000 2.540 11 V HA 0.841 5.076 4.120 -0.131 -0.194 0.302 11 V C -1.137 174.929 176.094 -0.047 0.000 1.035 11 V CA -1.700 60.528 62.300 -0.121 0.000 0.873 11 V CB 2.655 34.424 31.823 -0.090 0.000 0.992 11 V HN -0.036 8.029 8.190 -0.209 0.000 0.428 12 V N 5.648 125.532 119.914 -0.051 0.000 2.709 12 V HA 0.798 5.179 4.120 0.068 -0.220 0.308 12 V C -1.247 174.852 176.094 0.008 0.000 1.062 12 V CA -1.940 60.353 62.300 -0.012 0.000 0.901 12 V CB 2.904 34.633 31.823 -0.158 0.000 1.003 12 V HN 0.593 8.739 8.190 -0.073 0.000 0.425 13 D N 5.395 125.835 120.400 0.067 0.000 2.855 13 D HA 0.340 5.011 4.640 0.052 0.000 0.231 13 D C -0.225 176.141 176.300 0.110 0.000 1.225 13 D CA -1.378 52.667 54.000 0.075 0.000 1.074 13 D CB 1.346 42.197 40.800 0.085 0.000 1.235 13 D HN 0.166 8.600 8.370 0.107 0.000 0.635 14 S N -0.891 114.887 115.700 0.129 0.000 2.444 14 S HA 0.058 4.623 4.470 0.158 0.000 0.223 14 S C 0.777 175.536 174.600 0.265 0.000 1.054 14 S CA 2.356 60.655 58.200 0.164 0.000 0.947 14 S CB 0.174 63.446 63.200 0.121 0.000 0.850 14 S HN 0.508 8.888 8.310 0.115 0.000 0.527 15 S N -0.174 115.648 115.700 0.202 0.000 2.539 15 S HA 0.004 4.580 4.470 0.176 0.000 0.221 15 S C -0.802 173.890 174.600 0.153 0.000 0.987 15 S CA -0.747 57.538 58.200 0.143 0.000 0.929 15 S CB -0.100 63.118 63.200 0.031 0.000 0.832 15 S HN -0.082 8.321 8.310 0.155 0.000 0.492 16 N N 0.940 119.785 118.700 0.242 0.000 2.688 16 N HA -0.403 4.674 4.740 0.214 -0.209 0.258 16 N C -1.633 174.012 175.510 0.225 0.000 1.016 16 N CA 1.374 54.573 53.050 0.249 0.000 0.747 16 N CB -1.057 37.646 38.487 0.360 0.000 0.895 16 N HN 0.051 8.872 8.380 0.237 -0.299 0.543 17 M N -4.815 114.878 119.600 0.155 0.000 2.330 17 M HA -0.001 4.595 4.480 0.192 0.000 0.207 17 M C -0.191 176.150 176.300 0.069 0.000 1.622 17 M CA 1.926 57.306 55.300 0.134 0.000 1.045 17 M CB 1.715 34.376 32.600 0.102 0.000 1.461 17 M HN -0.791 7.720 8.290 0.132 -0.142 0.564 18 N N -0.133 118.608 118.700 0.069 0.000 2.531 18 N HA -0.048 4.719 4.740 0.045 0.000 0.223 18 N C 1.923 177.467 175.510 0.056 0.000 1.023 18 N CA 2.076 55.160 53.050 0.055 0.000 1.124 18 N CB 0.342 38.863 38.487 0.058 0.000 1.427 18 N HN -0.136 8.291 8.380 0.079 0.000 0.558 19 R N -0.746 119.789 120.500 0.059 0.000 2.075 19 R HA -0.301 4.068 4.340 0.047 0.000 0.232 19 R C 2.212 178.543 176.300 0.051 0.000 1.126 19 R CA 4.014 60.144 56.100 0.050 0.000 0.963 19 R CB -0.066 30.261 30.300 0.045 0.000 0.858 19 R HN 0.388 8.695 8.270 0.062 0.000 0.435 20 S N -1.052 114.686 115.700 0.064 0.000 2.428 20 S HA -0.196 4.301 4.470 0.044 0.000 0.230 20 S C 1.415 176.073 174.600 0.096 0.000 1.014 20 S CA 3.192 61.432 58.200 0.066 0.000 0.957 20 S CB -0.535 62.714 63.200 0.081 0.000 0.784 20 S HN -0.182 8.463 8.310 0.073 -0.291 0.499 21 M N 1.905 121.557 119.600 0.086 0.000 2.334 21 M HA -0.011 4.538 4.480 0.114 0.000 0.266 21 M C 2.140 178.473 176.300 0.056 0.000 1.082 21 M CA 1.265 56.604 55.300 0.064 0.000 1.141 21 M CB -1.289 31.298 32.600 -0.022 0.000 1.380 21 M HN -0.767 7.547 8.290 0.074 0.021 0.440 22 E N 0.926 121.162 120.200 0.060 0.000 2.072 22 E HA -0.282 4.113 4.350 0.076 0.000 0.191 22 E C 1.805 178.471 176.600 0.111 0.000 0.985 22 E CA 3.298 59.745 56.400 0.079 0.000 0.801 22 E CB -0.277 29.467 29.700 0.074 0.000 0.750 22 E HN -0.193 8.200 8.360 0.056 0.000 0.452 23 A N -1.241 121.633 122.820 0.089 0.000 1.929 23 A HA -0.286 4.074 4.320 0.067 0.000 0.216 23 A C 1.103 178.776 177.584 0.149 0.000 1.176 23 A CA 3.217 55.302 52.037 0.080 0.000 0.628 23 A CB -0.619 18.391 19.000 0.017 0.000 0.816 23 A HN -0.565 7.629 8.150 0.074 0.000 0.444 24 H N -0.206 118.878 119.070 0.023 0.000 2.319 24 H HA -0.432 4.132 4.556 0.013 0.000 0.299 24 H C 1.992 177.341 175.328 0.036 0.000 1.092 24 H CA 3.540 59.597 56.048 0.015 0.000 1.302 24 H CB 0.289 30.042 29.762 -0.015 0.000 1.373 24 H HN -0.045 8.184 8.280 0.213 0.178 0.497 25 N N -1.365 117.437 118.700 0.171 0.000 2.084 25 N HA -0.394 4.343 4.740 -0.005 0.000 0.190 25 N C 1.897 177.470 175.510 0.104 0.000 1.030 25 N CA 3.424 56.512 53.050 0.063 0.000 0.849 25 N CB 0.011 38.508 38.487 0.017 0.000 1.012 25 N HN -0.344 8.121 8.380 0.142 0.000 0.423 26 F N 0.374 120.328 119.950 0.006 0.000 2.113 26 F HA -0.292 4.202 4.527 -0.056 0.000 0.297 26 F C 1.614 177.425 175.800 0.019 0.000 1.103 26 F CA 3.767 61.745 58.000 -0.038 0.000 1.248 26 F CB 0.535 39.466 39.000 -0.115 0.000 0.999 26 F HN -0.627 7.854 8.300 0.301 0.000 0.475 27 L N -2.148 119.251 121.223 0.294 0.000 2.056 27 L HA -0.457 4.115 4.340 0.387 0.000 0.207 27 L C 2.028 179.062 176.870 0.273 0.000 1.078 27 L CA 2.949 57.964 54.840 0.291 0.000 0.749 27 L CB -0.332 41.815 42.059 0.146 0.000 0.901 27 L HN -0.144 8.258 8.230 0.286 0.000 0.433 28 A N -1.124 121.812 122.820 0.194 0.000 1.898 28 A HA -0.189 4.224 4.320 0.154 0.000 0.216 28 A C 2.733 180.339 177.584 0.036 0.000 1.181 28 A CA 2.622 54.743 52.037 0.139 0.000 0.620 28 A CB -0.492 18.606 19.000 0.163 0.000 0.819 28 A HN -0.121 8.155 8.150 0.210 0.000 0.442 29 K N -3.676 116.709 120.400 -0.024 0.000 2.209 29 K HA -0.294 3.983 4.320 -0.072 0.000 0.204 29 K C 1.161 177.694 176.600 -0.112 0.000 1.048 29 K CA 2.616 58.843 56.287 -0.099 0.000 0.940 29 K CB -0.115 32.269 32.500 -0.193 0.000 0.729 29 K HN -0.635 7.601 8.250 -0.023 0.000 0.451 30 K N -5.869 114.479 120.400 -0.086 0.000 2.459 30 K HA -0.074 4.171 4.320 -0.126 0.000 0.193 30 K C 0.702 177.189 176.600 -0.189 0.000 1.030 30 K CA -0.175 56.059 56.287 -0.087 0.000 1.026 30 K CB 0.128 32.676 32.500 0.080 0.000 0.809 30 K HN -0.760 7.351 8.250 -0.032 0.120 0.504 31 G N -2.022 106.699 108.800 -0.131 0.000 2.163 31 G HA2 -0.324 3.569 3.960 -0.111 0.000 0.213 31 G HA3 -0.324 3.489 3.960 -0.244 0.000 0.213 31 G C -0.267 174.508 174.900 -0.209 0.000 0.991 31 G CA -0.290 44.698 45.100 -0.186 0.000 0.653 31 G HN -0.470 7.634 8.290 -0.041 0.161 0.518 32 F N 0.579 120.534 119.950 0.009 0.000 2.418 32 F HA -0.080 4.460 4.527 0.021 0.000 0.341 32 F C -0.271 175.544 175.800 0.024 0.000 1.120 32 F CA 0.606 58.618 58.000 0.020 0.000 1.232 32 F CB 0.331 39.345 39.000 0.023 0.000 1.175 32 F HN -0.672 7.699 8.300 0.119 0.000 0.569 33 N N 3.237 122.081 118.700 0.240 0.000 2.402 33 N HA -0.033 4.786 4.740 0.131 0.000 0.259 33 N C -2.012 173.595 175.510 0.161 0.000 1.167 33 N CA 0.018 53.168 53.050 0.166 0.000 0.949 33 N CB -0.245 38.330 38.487 0.147 0.000 1.212 33 N HN 0.532 9.070 8.380 0.263 0.000 0.493 34 V N 4.508 124.480 119.914 0.095 0.000 2.789 34 V HA 0.887 5.228 4.120 -0.014 -0.230 0.311 34 V C -1.934 174.036 176.094 -0.207 0.000 1.073 34 V CA -2.835 59.440 62.300 -0.042 0.000 0.921 34 V CB 2.933 34.706 31.823 -0.085 0.000 1.009 34 V HN -0.257 7.990 8.190 0.095 0.000 0.426 35 R N 4.595 124.936 120.500 -0.266 0.000 2.869 35 R HA 0.407 4.426 4.340 -0.535 0.000 0.263 35 R C -2.136 173.882 176.300 -0.471 0.000 1.066 35 R CA -1.480 54.410 56.100 -0.351 0.000 0.960 35 R CB 4.576 34.936 30.300 0.101 0.000 1.221 35 R HN 0.212 8.355 8.270 -0.212 0.000 0.474 36 S N -1.718 113.674 115.700 -0.513 0.000 2.556 36 S HA 0.980 5.521 4.470 -0.184 -0.181 0.271 36 S C -1.675 172.590 174.600 -0.559 0.000 1.135 36 S CA -1.266 56.741 58.200 -0.321 0.000 0.858 36 S CB 2.991 66.170 63.200 -0.036 0.000 1.114 36 S HN 0.156 8.135 8.310 -0.552 0.000 0.468 37 Y N -2.681 117.682 120.300 0.105 0.000 2.689 37 Y HA 0.438 5.227 4.550 0.199 -0.119 0.333 37 Y C -1.058 174.937 175.900 0.159 0.000 1.190 37 Y CA -1.062 57.135 58.100 0.162 0.000 1.063 37 Y CB 4.332 42.919 38.460 0.211 0.000 1.294 37 Y HN 0.023 8.410 8.280 0.177 0.000 0.466 38 G N -2.602 106.423 108.800 0.375 0.000 2.537 38 G HA2 0.761 5.076 3.960 0.257 0.000 0.308 38 G HA3 0.761 5.119 3.960 0.501 -0.097 0.308 38 G C -1.448 173.539 174.900 0.145 0.000 1.237 38 G CA -1.629 43.665 45.100 0.324 0.000 0.968 38 G HN 0.099 8.612 8.290 0.373 0.000 0.481 39 T N -2.308 112.326 114.554 0.134 0.000 3.003 39 T HA 0.532 5.057 4.350 -0.005 -0.178 0.261 39 T C 0.755 175.497 174.700 0.070 0.000 1.003 39 T CA -1.799 60.329 62.100 0.047 0.000 0.917 39 T CB 1.565 70.452 68.868 0.032 0.000 1.084 39 T HN -0.236 8.108 8.240 0.174 0.000 0.522 40 G N 1.377 110.297 108.800 0.200 0.000 2.664 40 G HA2 -0.145 3.910 3.960 0.159 0.000 0.242 40 G HA3 -0.145 3.988 3.960 0.288 0.000 0.242 40 G C 0.850 175.913 174.900 0.272 0.000 1.225 40 G CA -0.575 44.668 45.100 0.237 0.000 0.849 40 G HN -0.440 8.017 8.290 0.278 0.000 0.581 41 E N -0.762 119.562 120.200 0.206 0.000 2.150 41 E HA -0.194 4.238 4.350 0.136 0.000 0.193 41 E C 0.257 177.053 176.600 0.327 0.000 0.985 41 E CA 1.970 58.483 56.400 0.187 0.000 0.814 41 E CB 0.194 29.962 29.700 0.114 0.000 0.752 41 E HN 0.451 8.909 8.360 0.163 0.000 0.466 42 R N -6.103 114.601 120.500 0.339 0.000 2.734 42 R HA 0.229 4.749 4.340 0.299 0.000 0.271 42 R C -1.662 174.605 176.300 -0.055 0.000 1.021 42 R CA -1.424 54.794 56.100 0.197 0.000 0.893 42 R CB 3.665 34.013 30.300 0.081 0.000 1.244 42 R HN -0.565 7.855 8.270 0.285 0.021 0.464 43 V N 1.667 121.342 119.914 -0.399 0.000 2.637 43 V HA -0.097 3.796 4.120 -0.378 0.000 0.296 43 V C -1.074 174.986 176.094 -0.057 0.000 1.046 43 V CA 0.653 62.741 62.300 -0.353 0.000 1.066 43 V CB 0.323 31.892 31.823 -0.424 0.000 0.968 43 V HN 0.018 7.942 8.190 -0.443 0.000 0.483 44 K N 7.078 127.471 120.400 -0.012 0.000 2.578 44 K HA 0.426 4.927 4.320 0.035 -0.160 0.250 44 K C -1.320 175.308 176.600 0.047 0.000 0.955 44 K CA -1.169 55.133 56.287 0.024 0.000 0.825 44 K CB 2.199 34.699 32.500 0.000 0.000 1.151 44 K HN -0.220 8.016 8.250 -0.024 0.000 0.432 45 L N 3.972 125.248 121.223 0.088 0.000 2.332 45 L HA 0.543 4.927 4.340 0.073 0.000 0.269 45 L C -2.265 174.656 176.870 0.085 0.000 1.016 45 L CA -3.073 51.822 54.840 0.093 0.000 0.809 45 L CB 0.753 42.886 42.059 0.124 0.000 1.280 45 L HN 0.070 8.373 8.230 0.122 0.000 0.447 46 P HA 0.046 4.492 4.420 0.043 0.000 0.271 46 P C -0.473 176.964 177.300 0.229 0.000 1.244 46 P CA -0.308 62.861 63.100 0.114 0.000 0.793 46 P CB 0.542 32.317 31.700 0.125 0.000 0.984 47 G N -2.824 106.111 108.800 0.226 0.000 3.247 47 G HA2 0.426 4.680 3.960 0.489 0.000 0.226 47 G HA3 0.426 4.781 3.960 0.193 -0.280 0.226 47 G C -1.111 173.973 174.900 0.307 0.000 1.220 47 G CA -0.018 45.269 45.100 0.312 0.000 0.875 47 G HN -0.150 8.235 8.290 0.157 0.000 0.606 48 M N -0.788 118.845 119.600 0.056 0.000 2.501 48 M HA 0.038 4.296 4.480 -0.371 0.000 0.261 48 M C 0.036 176.296 176.300 -0.067 0.000 1.129 48 M CA 1.573 56.713 55.300 -0.266 0.000 1.126 48 M CB 0.942 33.199 32.600 -0.572 0.000 1.359 48 M HN 0.358 8.673 8.290 0.042 0.000 0.471 49 A N -2.289 120.538 122.820 0.013 0.000 2.423 49 A HA 0.343 4.714 4.320 0.084 0.000 0.304 49 A C -0.625 177.029 177.584 0.117 0.000 1.104 49 A CA -1.116 50.962 52.037 0.068 0.000 0.757 49 A CB 2.106 21.130 19.000 0.041 0.000 1.313 49 A HN -0.903 7.256 8.150 0.016 0.000 0.423 50 F N 0.604 120.574 119.950 0.033 0.000 2.134 50 F HA -0.338 4.221 4.527 0.053 0.000 0.299 50 F C -0.231 175.589 175.800 0.034 0.000 1.097 50 F CA 2.447 60.471 58.000 0.040 0.000 1.264 50 F CB 0.346 39.365 39.000 0.031 0.000 1.001 50 F HN 0.459 8.943 8.300 0.305 0.000 0.479 51 D N -3.207 117.296 120.400 0.171 0.000 2.319 51 D HA -0.053 4.591 4.640 0.006 0.000 0.230 51 D C -0.463 175.831 176.300 -0.011 0.000 1.094 51 D CA 0.072 54.114 54.000 0.070 0.000 0.856 51 D CB -1.043 39.842 40.800 0.141 0.000 0.915 51 D HN 0.196 8.711 8.370 0.241 0.000 0.517 52 K N 0.074 120.457 120.400 -0.028 0.000 2.877 52 K HA 0.524 4.827 4.320 -0.029 0.000 0.176 52 K C -2.414 174.170 176.600 -0.026 0.000 1.075 52 K CA -3.109 53.164 56.287 -0.023 0.000 0.939 52 K CB -0.055 32.445 32.500 -0.001 0.000 1.237 52 K HN -0.393 7.651 8.250 -0.027 0.190 0.607 53 P HA 0.220 4.628 4.420 -0.019 0.000 0.278 53 P C -0.978 176.288 177.300 -0.057 0.000 1.238 53 P CA -0.965 62.101 63.100 -0.056 0.000 0.794 53 P CB 0.971 32.606 31.700 -0.109 0.000 0.955 54 N N 2.116 120.803 118.700 -0.021 0.000 2.402 54 N HA 0.077 4.684 4.740 -0.222 0.000 0.252 54 N C -1.074 174.284 175.510 -0.253 0.000 1.118 54 N CA 0.032 53.000 53.050 -0.136 0.000 0.945 54 N CB 0.149 38.662 38.487 0.043 0.000 1.147 54 N HN -0.097 8.310 8.380 0.044 0.000 0.495 55 V N 3.964 123.608 119.914 -0.450 0.000 2.435 55 V HA 0.384 4.572 4.120 -0.172 -0.171 0.290 55 V C -0.952 174.773 176.094 -0.614 0.000 1.030 55 V CA -0.940 61.151 62.300 -0.348 0.000 0.881 55 V CB 1.763 33.473 31.823 -0.188 0.000 0.983 55 V HN 0.053 7.972 8.190 -0.451 0.000 0.445 56 Y N 5.059 125.300 120.300 -0.099 0.000 2.605 56 Y HA 0.180 4.683 4.550 -0.077 0.000 0.343 56 Y C -1.335 174.493 175.900 -0.121 0.000 1.036 56 Y CA -1.844 56.192 58.100 -0.107 0.000 1.065 56 Y CB 3.025 41.404 38.460 -0.136 0.000 1.288 56 Y HN 0.346 8.657 8.280 0.053 0.000 0.481 57 E N -1.122 119.128 120.200 0.084 0.000 2.343 57 E HA 0.170 4.567 4.350 0.078 0.000 0.269 57 E C 0.047 176.652 176.600 0.008 0.000 1.047 57 E CA -1.378 55.059 56.400 0.063 0.000 0.874 57 E CB 1.242 30.989 29.700 0.078 0.000 1.033 57 E HN 0.499 8.925 8.360 0.109 0.000 0.409 58 F N 0.279 120.242 119.950 0.021 0.000 2.553 58 F HA -0.427 4.080 4.527 -0.034 0.000 0.356 58 F C 1.474 177.259 175.800 -0.026 0.000 1.142 58 F CA 2.486 60.481 58.000 -0.009 0.000 1.322 58 F CB 0.373 39.382 39.000 0.016 0.000 1.126 58 F HN 0.333 8.839 8.300 0.343 0.000 0.599 59 G N 3.461 112.331 108.800 0.116 0.000 2.268 59 G HA2 -0.388 3.592 3.960 0.034 0.000 0.240 59 G HA3 -0.388 3.609 3.960 0.062 0.000 0.240 59 G C -0.401 174.472 174.900 -0.045 0.000 1.010 59 G CA -0.311 44.812 45.100 0.038 0.000 0.618 59 G HN 0.167 8.519 8.290 0.103 0.000 0.516 60 T N 6.132 120.638 114.554 -0.080 0.000 2.765 60 T HA -0.278 4.031 4.350 -0.068 0.000 0.284 60 T C -0.036 174.531 174.700 -0.222 0.000 0.946 60 T CA 1.446 63.476 62.100 -0.116 0.000 1.185 60 T CB -0.091 68.716 68.868 -0.101 0.000 0.887 60 T HN -0.527 7.587 8.240 -0.066 0.086 0.532 61 K N 6.613 126.922 120.400 -0.151 0.000 2.561 61 K HA -0.379 3.977 4.320 -0.166 -0.136 0.280 61 K C 1.335 177.825 176.600 -0.184 0.000 0.975 61 K CA 1.493 57.692 56.287 -0.147 0.000 1.024 61 K CB 0.122 32.589 32.500 -0.056 0.000 0.883 61 K HN 0.360 8.551 8.250 -0.097 0.000 0.496 62 Y N 2.282 122.525 120.300 -0.094 0.000 2.256 62 Y HA -0.433 4.027 4.550 -0.149 0.000 0.288 62 Y C 2.244 178.093 175.900 -0.084 0.000 1.155 62 Y CA 4.344 62.378 58.100 -0.111 0.000 1.203 62 Y CB -0.293 38.112 38.460 -0.091 0.000 0.980 62 Y HN 0.358 8.598 8.280 -0.066 0.000 0.530 63 E N -0.270 119.973 120.200 0.072 0.000 2.047 63 E HA -0.410 3.953 4.350 0.021 0.000 0.191 63 E C 1.711 178.335 176.600 0.041 0.000 0.987 63 E CA 3.979 60.394 56.400 0.025 0.000 0.799 63 E CB -0.585 29.098 29.700 -0.028 0.000 0.752 63 E HN 0.104 8.483 8.360 0.062 0.019 0.449 64 D N -1.437 118.958 120.400 -0.008 0.000 2.218 64 D HA -0.240 4.407 4.640 0.013 0.000 0.204 64 D C 2.495 178.764 176.300 -0.051 0.000 0.976 64 D CA 3.238 57.230 54.000 -0.015 0.000 0.853 64 D CB -0.842 39.942 40.800 -0.027 0.000 0.939 64 D HN 0.072 8.427 8.370 -0.024 0.000 0.481 65 I N -0.420 120.057 120.570 -0.155 0.000 2.406 65 I HA -0.396 3.519 4.170 -0.425 0.000 0.249 65 I C 1.118 177.149 176.117 -0.143 0.000 1.122 65 I CA 3.368 64.457 61.300 -0.352 0.000 1.431 65 I CB 0.121 37.733 38.000 -0.647 0.000 1.087 65 I HN -0.803 7.207 8.210 -0.147 0.112 0.424 66 Y N 0.824 121.040 120.300 -0.141 0.000 2.224 66 Y HA -0.512 3.980 4.550 -0.096 0.000 0.289 66 Y C 1.748 177.611 175.900 -0.062 0.000 1.146 66 Y CA 4.031 62.079 58.100 -0.087 0.000 1.182 66 Y CB 0.252 38.681 38.460 -0.052 0.000 0.983 66 Y HN -0.263 8.013 8.280 0.128 0.081 0.524 67 R N -3.686 116.927 120.500 0.189 0.000 2.119 67 R HA -0.178 4.268 4.340 0.177 0.000 0.222 67 R C 2.063 178.382 176.300 0.032 0.000 1.088 67 R CA 0.868 57.047 56.100 0.132 0.000 0.984 67 R CB -0.904 29.467 30.300 0.117 0.000 0.884 67 R HN -0.274 8.082 8.270 0.170 0.016 0.447 68 D N 0.831 121.238 120.400 0.011 0.000 2.097 68 D HA -0.179 4.483 4.640 0.037 0.000 0.195 68 D C 2.392 178.665 176.300 -0.044 0.000 0.989 68 D CA 2.942 56.955 54.000 0.022 0.000 0.827 68 D CB -0.211 40.658 40.800 0.115 0.000 0.966 68 D HN -0.741 7.547 8.370 0.008 0.087 0.456 69 L N -2.217 118.910 121.223 -0.160 0.000 2.217 69 L HA -0.282 3.822 4.340 -0.395 0.000 0.211 69 L C 1.949 178.727 176.870 -0.153 0.000 1.107 69 L CA 2.444 57.075 54.840 -0.347 0.000 0.783 69 L CB -0.261 41.418 42.059 -0.633 0.000 0.919 69 L HN -0.540 7.589 8.230 -0.169 0.000 0.442 70 E N -0.484 119.635 120.200 -0.135 0.000 2.072 70 E HA -0.429 3.871 4.350 -0.083 0.000 0.191 70 E C 1.773 178.386 176.600 0.023 0.000 0.985 70 E CA 3.165 59.525 56.400 -0.066 0.000 0.801 70 E CB 0.090 29.771 29.700 -0.033 0.000 0.750 70 E HN -0.444 7.693 8.360 -0.146 0.135 0.452 71 S N -2.047 113.670 115.700 0.028 0.000 2.446 71 S HA -0.120 4.378 4.470 0.048 0.000 0.225 71 S C 2.004 176.642 174.600 0.063 0.000 1.016 71 S CA 2.307 60.535 58.200 0.045 0.000 0.943 71 S CB -0.226 62.997 63.200 0.038 0.000 0.786 71 S HN -0.454 7.864 8.310 0.014 0.000 0.508 72 K N 0.432 120.878 120.400 0.076 0.000 2.057 72 K HA -0.156 4.218 4.320 0.090 0.000 0.206 72 K C 0.150 176.859 176.600 0.181 0.000 1.050 72 K CA 1.989 58.350 56.287 0.123 0.000 0.935 72 K CB 0.657 33.244 32.500 0.145 0.000 0.715 72 K HN -0.715 7.566 8.250 0.051 0.000 0.439 73 D N -3.230 117.320 120.400 0.249 0.000 2.732 73 D HA 0.041 4.772 4.640 0.152 0.000 0.203 73 D C -1.785 174.677 176.300 0.270 0.000 1.342 73 D CA 0.530 54.674 54.000 0.239 0.000 1.190 73 D CB 0.188 41.124 40.800 0.226 0.000 1.406 73 D HN -0.558 7.960 8.370 0.247 0.000 0.597 74 K N 4.147 124.639 120.400 0.153 0.000 2.442 74 K HA -0.338 4.041 4.320 0.098 0.000 0.198 74 K C 0.258 176.915 176.600 0.096 0.000 1.044 74 K CA 2.198 58.548 56.287 0.105 0.000 0.948 74 K CB 0.218 32.755 32.500 0.062 0.000 0.762 74 K HN 0.268 8.589 8.250 0.118 0.000 0.472 75 E N -1.310 118.955 120.200 0.110 0.000 2.132 75 E HA -0.102 4.280 4.350 0.053 0.000 0.193 75 E C 1.402 178.045 176.600 0.071 0.000 0.951 75 E CA 1.734 58.180 56.400 0.077 0.000 0.843 75 E CB 0.257 29.998 29.700 0.070 0.000 0.807 75 E HN -0.595 7.997 8.360 0.127 -0.155 0.467 76 F N 2.247 122.152 119.950 -0.075 0.000 2.095 76 F HA -0.383 4.050 4.527 -0.156 0.000 0.298 76 F C 1.629 177.294 175.800 -0.225 0.000 1.104 76 F CA 3.500 61.380 58.000 -0.201 0.000 1.232 76 F CB 0.367 39.151 39.000 -0.360 0.000 0.987 76 F HN -0.629 8.091 8.300 0.229 -0.284 0.475 77 Y N -6.388 113.849 120.300 -0.105 0.000 2.553 77 Y HA 0.032 4.497 4.550 -0.423 -0.168 0.303 77 Y C 0.876 176.664 175.900 -0.186 0.000 1.194 77 Y CA 1.214 59.181 58.100 -0.222 0.000 1.305 77 Y CB -1.588 36.837 38.460 -0.057 0.000 1.045 77 Y HN -0.563 7.804 8.280 0.146 0.000 0.514 78 T N 2.031 116.556 114.554 -0.048 0.000 3.021 78 T HA -0.123 4.221 4.350 -0.011 0.000 0.245 78 T C 1.700 176.351 174.700 -0.082 0.000 1.028 78 T CA 3.233 65.312 62.100 -0.035 0.000 1.139 78 T CB 0.186 69.051 68.868 -0.004 0.000 0.884 78 T HN -0.630 7.388 8.240 -0.059 0.186 0.457 79 Q N 0.277 119.993 119.800 -0.141 0.000 2.119 79 Q HA -0.165 4.118 4.340 -0.095 0.000 0.201 79 Q C 1.581 177.474 176.000 -0.177 0.000 0.972 79 Q CA 2.248 57.966 55.803 -0.141 0.000 0.847 79 Q CB -0.308 28.350 28.738 -0.134 0.000 0.903 79 Q HN -0.666 7.506 8.270 -0.163 0.000 0.433 80 N N -3.581 114.947 118.700 -0.287 0.000 2.398 80 N HA -0.043 4.587 4.740 -0.183 0.000 0.188 80 N C 0.712 176.151 175.510 -0.117 0.000 1.122 80 N CA -0.480 52.425 53.050 -0.242 0.000 0.866 80 N CB -0.603 37.638 38.487 -0.410 0.000 0.970 80 N HN -0.686 7.456 8.380 -0.397 0.000 0.462 81 G N -0.436 108.317 108.800 -0.079 0.000 2.148 81 G HA2 -0.389 3.579 3.960 0.013 0.000 0.254 81 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.254 81 G C 0.263 175.200 174.900 0.062 0.000 0.981 81 G CA 1.080 46.181 45.100 0.002 0.000 0.670 81 G HN -0.553 7.503 8.290 -0.098 0.176 0.528 82 L N 0.053 121.300 121.223 0.039 0.000 2.109 82 L HA -0.342 4.034 4.340 0.059 0.000 0.207 82 L C 1.294 178.180 176.870 0.027 0.000 1.086 82 L CA 2.714 57.587 54.840 0.055 0.000 0.760 82 L CB -0.410 41.711 42.059 0.103 0.000 0.910 82 L HN -0.601 7.849 8.230 0.012 -0.212 0.437 83 L N -2.600 118.618 121.223 -0.008 0.000 2.093 83 L HA -0.496 3.707 4.340 -0.229 0.000 0.208 83 L C 1.844 178.798 176.870 0.141 0.000 1.085 83 L CA 3.560 58.340 54.840 -0.099 0.000 0.755 83 L CB -0.474 41.440 42.059 -0.241 0.000 0.904 83 L HN -0.371 7.862 8.230 0.005 0.000 0.435 84 H N -1.028 118.075 119.070 0.054 0.000 2.353 84 H HA -0.350 4.264 4.556 0.097 0.000 0.300 84 H C 1.604 176.959 175.328 0.044 0.000 1.090 84 H CA 3.594 59.681 56.048 0.065 0.000 1.327 84 H CB 0.029 29.809 29.762 0.030 0.000 1.383 84 H HN -0.341 8.067 8.280 0.214 0.000 0.508 85 M N -0.287 119.341 119.600 0.047 0.000 2.132 85 M HA -0.354 4.076 4.480 -0.083 0.000 0.263 85 M C 1.426 177.671 176.300 -0.093 0.000 1.065 85 M CA 3.993 59.273 55.300 -0.033 0.000 1.122 85 M CB -0.075 32.550 32.600 0.042 0.000 1.365 85 M HN -0.642 7.730 8.290 0.136 0.000 0.411 86 L N -2.230 118.993 121.223 0.000 0.000 2.201 86 L HA -0.347 3.974 4.340 -0.031 0.000 0.212 86 L C 2.210 179.072 176.870 -0.014 0.000 1.105 86 L CA 2.500 57.362 54.840 0.037 0.000 0.775 86 L CB -0.582 41.583 42.059 0.177 0.000 0.913 86 L HN -0.136 8.121 8.230 0.045 0.000 0.440 87 D N -0.567 119.836 120.400 0.004 0.000 2.084 87 D HA -0.300 4.228 4.640 -0.187 0.000 0.196 87 D C 1.825 177.984 176.300 -0.236 0.000 0.985 87 D CA 3.344 57.263 54.000 -0.134 0.000 0.826 87 D CB 0.043 40.784 40.800 -0.098 0.000 0.978 87 D HN -0.432 7.863 8.370 0.058 0.109 0.456 88 R N -1.277 119.045 120.500 -0.296 0.000 2.083 88 R HA -0.464 3.718 4.340 -0.262 0.000 0.237 88 R C 2.355 178.459 176.300 -0.327 0.000 1.137 88 R CA 3.484 59.407 56.100 -0.295 0.000 0.951 88 R CB -0.019 30.103 30.300 -0.296 0.000 0.851 88 R HN -0.576 7.493 8.270 -0.335 0.000 0.434 89 N N -2.418 116.022 118.700 -0.434 0.000 2.149 89 N HA -0.272 4.092 4.740 -0.628 0.000 0.188 89 N C 2.032 177.133 175.510 -0.680 0.000 1.019 89 N CA 2.658 55.261 53.050 -0.745 0.000 0.857 89 N CB -0.597 37.086 38.487 -1.340 0.000 0.997 89 N HN -0.419 7.723 8.380 -0.397 0.000 0.426 90 R N 0.179 120.415 120.500 -0.440 0.000 2.120 90 R HA -0.164 4.250 4.340 -0.111 -0.141 0.234 90 R C 1.657 177.853 176.300 -0.173 0.000 1.123 90 R CA 1.697 57.673 56.100 -0.206 0.000 0.975 90 R CB -0.549 29.659 30.300 -0.153 0.000 0.866 90 R HN -0.704 7.246 8.270 -0.388 0.087 0.446 91 R N -3.047 117.331 120.500 -0.203 0.000 2.276 91 R HA -0.088 4.174 4.340 -0.131 0.000 0.203 91 R C 0.959 177.159 176.300 -0.166 0.000 1.017 91 R CA 1.668 57.672 56.100 -0.160 0.000 1.010 91 R CB -0.290 29.919 30.300 -0.152 0.000 0.900 91 R HN -0.489 7.529 8.270 -0.235 0.111 0.469 92 I N -3.610 116.826 120.570 -0.223 0.000 2.729 92 I HA -0.158 3.876 4.170 -0.227 0.000 0.256 92 I C -0.462 175.553 176.117 -0.170 0.000 1.115 92 I CA 1.267 62.413 61.300 -0.257 0.000 1.446 92 I CB 1.236 38.974 38.000 -0.437 0.000 1.176 92 I HN -0.646 7.243 8.210 -0.264 0.163 0.446 93 K N -3.063 117.269 120.400 -0.113 0.000 2.614 93 K HA 0.235 4.557 4.320 0.004 0.000 0.293 93 K C -1.630 175.045 176.600 0.125 0.000 1.045 93 K CA -0.934 55.362 56.287 0.015 0.000 0.880 93 K CB 1.610 34.148 32.500 0.063 0.000 1.552 93 K HN -0.488 7.670 8.250 -0.154 0.000 0.404 94 K N -1.668 118.812 120.400 0.133 0.000 2.021 94 K HA -0.090 4.305 4.320 0.125 0.000 0.205 94 K C -0.785 175.909 176.600 0.157 0.000 1.047 94 K CA 3.019 59.384 56.287 0.130 0.000 0.943 94 K CB 0.276 32.806 32.500 0.050 0.000 0.725 94 K HN 0.372 8.682 8.250 0.099 0.000 0.439 95 C N -6.656 112.666 119.300 0.037 0.000 3.171 95 C HA 0.440 4.433 4.460 -0.778 0.000 0.308 95 C C -2.657 172.158 174.990 -0.291 0.000 1.334 95 C CA -3.881 54.934 59.018 -0.340 0.000 1.473 95 C CB 1.258 28.880 27.740 -0.197 0.000 1.866 95 C HN -0.574 7.705 8.230 0.081 0.000 0.465 96 P HA 0.022 4.509 4.420 0.111 0.000 0.271 96 P C -1.602 175.874 177.300 0.293 0.000 1.216 96 P CA -0.016 63.051 63.100 -0.056 0.000 0.771 96 P CB 0.675 32.224 31.700 -0.251 0.000 0.864 97 E N 1.889 122.302 120.200 0.355 0.000 2.212 97 E HA 0.199 4.719 4.350 0.283 0.000 0.268 97 E C -1.134 175.582 176.600 0.194 0.000 0.902 97 E CA -1.559 55.023 56.400 0.303 0.000 0.779 97 E CB 3.317 33.156 29.700 0.232 0.000 1.172 97 E HN 0.075 8.614 8.360 0.298 0.000 0.409 98 R N 2.778 123.144 120.500 -0.223 0.000 2.265 98 R HA 0.256 4.377 4.340 -0.669 -0.183 0.314 98 R C 1.693 177.916 176.300 -0.128 0.000 1.053 98 R CA -0.074 55.715 56.100 -0.518 0.000 0.931 98 R CB 0.895 30.726 30.300 -0.783 0.000 1.024 98 R HN 0.502 8.664 8.270 -0.180 0.000 0.457 99 F N 8.125 127.940 119.950 -0.225 0.000 2.161 99 F HA -0.412 3.674 4.527 -0.734 0.000 0.300 99 F C 1.209 176.693 175.800 -0.526 0.000 1.089 99 F CA 3.997 61.735 58.000 -0.436 0.000 1.282 99 F CB 0.425 39.234 39.000 -0.319 0.000 1.010 99 F HN 0.503 8.863 8.300 0.099 0.000 0.485 100 Q N -2.855 116.623 119.800 -0.537 0.000 2.364 100 Q HA -0.218 3.075 4.340 -1.744 0.000 0.207 100 Q C 0.510 176.193 176.000 -0.528 0.000 0.970 100 Q CA 2.658 57.942 55.803 -0.864 0.000 0.888 100 Q CB -0.511 27.979 28.738 -0.415 0.000 0.951 100 Q HN 0.431 8.494 8.270 -0.317 0.017 0.469 101 D N -3.695 116.486 120.400 -0.365 0.000 2.389 101 D HA 0.180 4.734 4.640 -0.144 0.000 0.206 101 D C -0.178 176.018 176.300 -0.173 0.000 1.055 101 D CA 0.790 54.674 54.000 -0.193 0.000 0.856 101 D CB 1.026 41.752 40.800 -0.124 0.000 0.957 101 D HN -0.457 7.531 8.370 -0.367 0.162 0.509 102 T N 2.369 116.753 114.554 -0.284 0.000 2.899 102 T HA -0.105 4.199 4.350 -0.076 0.000 0.295 102 T C 0.039 174.614 174.700 -0.209 0.000 1.033 102 T CA 0.231 62.210 62.100 -0.202 0.000 1.084 102 T CB 0.410 69.105 68.868 -0.288 0.000 0.979 102 T HN -0.641 7.334 8.240 -0.442 0.000 0.532 103 K N 2.711 123.027 120.400 -0.139 0.000 2.358 103 K HA 0.208 4.434 4.320 -0.157 0.000 0.200 103 K C -0.189 176.269 176.600 -0.236 0.000 1.030 103 K CA -0.772 55.421 56.287 -0.156 0.000 1.097 103 K CB -0.098 32.337 32.500 -0.107 0.000 0.862 103 K HN 0.169 8.364 8.250 -0.092 0.000 0.534 104 E N 1.361 121.412 120.200 -0.248 0.000 2.398 104 E HA -0.027 4.088 4.350 -0.392 0.000 0.263 104 E C -1.041 175.094 176.600 -0.776 0.000 1.046 104 E CA 0.553 56.692 56.400 -0.435 0.000 0.908 104 E CB 0.609 30.131 29.700 -0.298 0.000 0.963 104 E HN -0.708 7.552 8.360 -0.167 0.000 0.431 105 Q N -0.357 118.848 119.800 -0.991 0.000 2.348 105 Q HA 0.179 3.844 4.340 -1.124 0.000 0.271 105 Q C -1.225 174.188 176.000 -0.978 0.000 1.067 105 Q CA -1.033 54.088 55.803 -1.136 0.000 0.839 105 Q CB 2.337 30.348 28.738 -1.213 0.000 1.354 105 Q HN 0.238 8.009 8.270 -0.832 0.000 0.447 106 F N 0.082 120.093 119.950 0.102 0.000 2.603 106 F HA 0.215 4.809 4.527 0.111 0.000 0.317 106 F C -1.079 174.858 175.800 0.228 0.000 1.066 106 F CA -0.885 57.223 58.000 0.180 0.000 0.941 106 F CB 2.978 42.105 39.000 0.211 0.000 1.291 106 F HN -0.132 8.337 8.300 0.283 0.000 0.472 107 D N -1.507 119.102 120.400 0.349 0.000 2.216 107 D HA 0.072 4.847 4.640 0.224 0.000 0.208 107 D C -0.338 176.104 176.300 0.237 0.000 0.960 107 D CA 2.396 56.544 54.000 0.247 0.000 0.861 107 D CB 2.097 43.014 40.800 0.195 0.000 0.985 107 D HN 0.116 8.694 8.370 0.348 0.000 0.493 108 I N -2.856 117.846 120.570 0.221 0.000 2.569 108 I HA 0.544 5.006 4.170 0.167 -0.192 0.290 108 I C -2.158 174.000 176.117 0.068 0.000 1.088 108 I CA -0.784 60.600 61.300 0.140 0.000 1.047 108 I CB 4.289 42.325 38.000 0.059 0.000 1.237 108 I HN -0.756 7.599 8.210 0.242 0.000 0.421 109 I N 5.938 126.526 120.570 0.031 0.000 2.410 109 I HA 0.445 4.697 4.170 -0.156 -0.176 0.286 109 I C -1.141 174.930 176.117 -0.078 0.000 1.009 109 I CA -1.218 60.034 61.300 -0.080 0.000 1.111 109 I CB 2.214 40.158 38.000 -0.093 0.000 1.262 109 I HN 0.598 8.845 8.210 0.062 0.000 0.443 110 V N 8.846 128.693 119.914 -0.112 0.000 2.394 110 V HA 0.735 5.058 4.120 -0.052 -0.235 0.282 110 V C -0.255 175.792 176.094 -0.079 0.000 1.031 110 V CA -1.517 60.733 62.300 -0.084 0.000 0.881 110 V CB 1.071 32.831 31.823 -0.106 0.000 0.982 110 V HN 0.644 8.749 8.190 -0.143 0.000 0.451 111 T N 1.474 116.010 114.554 -0.029 0.000 2.945 111 T HA 0.878 5.401 4.350 -0.045 -0.200 0.286 111 T C 0.828 175.525 174.700 -0.004 0.000 1.025 111 T CA -2.827 59.265 62.100 -0.014 0.000 1.039 111 T CB 2.656 71.555 68.868 0.051 0.000 1.068 111 T HN 0.551 8.795 8.240 0.006 0.000 0.497 112 V N -5.675 114.241 119.914 0.004 0.000 3.427 112 V HA 0.689 5.036 4.120 -0.005 -0.230 0.305 112 V C -1.370 174.732 176.094 0.014 0.000 1.412 112 V CA -1.597 60.706 62.300 0.005 0.000 1.086 112 V CB 0.993 32.824 31.823 0.013 0.000 0.964 112 V HN -0.132 8.064 8.190 0.009 0.000 0.439 113 E N -3.021 117.194 120.200 0.024 0.000 2.389 113 E HA 0.341 4.858 4.350 0.009 -0.161 0.281 113 E C -1.202 175.430 176.600 0.053 0.000 1.072 113 E CA -1.086 55.330 56.400 0.027 0.000 0.845 113 E CB 2.535 32.256 29.700 0.036 0.000 1.239 113 E HN -0.801 7.620 8.360 0.034 -0.041 0.434 114 E N 2.874 123.098 120.200 0.040 0.000 2.118 114 E HA -0.454 3.949 4.350 0.089 0.000 0.195 114 E C 1.229 177.912 176.600 0.139 0.000 0.992 114 E CA 4.284 60.733 56.400 0.082 0.000 0.804 114 E CB 0.083 29.808 29.700 0.041 0.000 0.741 114 E HN 0.707 9.079 8.360 0.021 0.000 0.458 115 R N -2.129 118.424 120.500 0.089 0.000 2.096 115 R HA -0.266 4.120 4.340 0.077 0.000 0.235 115 R C 2.231 178.574 176.300 0.071 0.000 1.127 115 R CA 3.116 59.262 56.100 0.077 0.000 0.968 115 R CB -0.305 30.032 30.300 0.062 0.000 0.861 115 R HN 0.109 8.411 8.270 0.070 0.010 0.440 116 V N 0.050 120.006 119.914 0.071 0.000 2.379 116 V HA -0.460 3.675 4.120 0.025 0.000 0.245 116 V C 1.595 177.705 176.094 0.026 0.000 1.044 116 V CA 3.675 65.998 62.300 0.039 0.000 1.036 116 V CB 0.049 31.890 31.823 0.031 0.000 0.664 116 V HN -0.532 7.702 8.190 0.074 0.000 0.453 117 Y N 0.816 121.081 120.300 -0.058 0.000 2.069 117 Y HA -0.643 3.848 4.550 -0.099 0.000 0.278 117 Y C 1.454 177.322 175.900 -0.053 0.000 1.175 117 Y CA 4.019 62.078 58.100 -0.068 0.000 1.134 117 Y CB -0.262 38.172 38.460 -0.042 0.000 0.965 117 Y HN -0.025 8.379 8.280 0.208 0.000 0.498 118 D N -1.440 118.957 120.400 -0.005 0.000 2.144 118 D HA -0.281 4.249 4.640 -0.184 0.000 0.199 118 D C 2.652 178.897 176.300 -0.091 0.000 0.984 118 D CA 3.499 57.450 54.000 -0.081 0.000 0.834 118 D CB -0.472 40.348 40.800 0.034 0.000 0.955 118 D HN -0.176 8.271 8.370 0.127 0.000 0.465 119 L N -0.573 120.623 121.223 -0.044 0.000 2.056 119 L HA -0.319 4.027 4.340 0.010 0.000 0.207 119 L C 2.015 178.879 176.870 -0.011 0.000 1.078 119 L CA 3.130 57.964 54.840 -0.010 0.000 0.749 119 L CB 0.000 42.065 42.059 0.011 0.000 0.901 119 L HN -0.739 7.477 8.230 -0.023 0.000 0.433 120 V N -0.426 119.414 119.914 -0.125 0.000 2.261 120 V HA -0.598 3.474 4.120 -0.081 0.000 0.246 120 V C 1.870 177.924 176.094 -0.067 0.000 1.047 120 V CA 4.870 67.058 62.300 -0.187 0.000 1.015 120 V CB -0.213 31.318 31.823 -0.487 0.000 0.642 120 V HN -0.305 7.787 8.190 -0.164 0.000 0.446 121 V N -0.740 119.031 119.914 -0.239 0.000 2.287 121 V HA -0.621 3.370 4.120 -0.215 0.000 0.248 121 V C 1.743 177.779 176.094 -0.098 0.000 1.053 121 V CA 4.527 66.685 62.300 -0.236 0.000 1.027 121 V CB -0.158 31.412 31.823 -0.423 0.000 0.646 121 V HN -0.373 7.604 8.190 -0.355 0.000 0.447 122 M N -0.178 119.386 119.600 -0.061 0.000 2.080 122 M HA -0.473 3.986 4.480 -0.034 0.000 0.260 122 M C 1.762 178.080 176.300 0.029 0.000 1.068 122 M CA 3.570 58.862 55.300 -0.013 0.000 1.109 122 M CB -0.033 32.571 32.600 0.006 0.000 1.342 122 M HN -0.294 7.948 8.290 -0.080 0.000 0.405 123 H N 0.303 119.379 119.070 0.010 0.000 2.321 123 H HA -0.318 4.247 4.556 0.014 0.000 0.300 123 H C 2.081 177.423 175.328 0.023 0.000 1.087 123 H CA 3.804 59.875 56.048 0.038 0.000 1.319 123 H CB 0.212 30.046 29.762 0.120 0.000 1.379 123 H HN -0.398 8.007 8.280 0.209 0.000 0.501 124 M N -3.249 116.378 119.600 0.044 0.000 2.159 124 M HA -0.330 4.099 4.480 -0.084 0.000 0.263 124 M C 2.608 178.837 176.300 -0.118 0.000 1.063 124 M CA 1.990 57.255 55.300 -0.059 0.000 1.110 124 M CB -1.265 31.308 32.600 -0.045 0.000 1.374 124 M HN -0.325 8.060 8.290 0.158 0.000 0.411 125 E N -2.936 117.209 120.200 -0.091 0.000 2.208 125 E HA -0.231 4.082 4.350 -0.061 0.000 0.193 125 E C 1.329 177.879 176.600 -0.084 0.000 0.988 125 E CA 2.126 58.482 56.400 -0.073 0.000 0.828 125 E CB 0.075 29.741 29.700 -0.057 0.000 0.763 125 E HN -0.248 7.968 8.360 -0.072 0.101 0.478 126 S N -2.974 112.653 115.700 -0.121 0.000 2.453 126 S HA -0.140 4.281 4.470 -0.082 0.000 0.231 126 S C 0.496 175.012 174.600 -0.139 0.000 1.005 126 S CA 1.399 59.526 58.200 -0.121 0.000 0.949 126 S CB 0.498 63.620 63.200 -0.130 0.000 0.774 126 S HN -0.556 7.538 8.310 -0.143 0.129 0.510 127 M N 2.679 122.170 119.600 -0.182 0.000 2.235 127 M HA 0.054 4.455 4.480 -0.132 0.000 0.351 127 M C -0.003 176.255 176.300 -0.071 0.000 1.178 127 M CA -0.464 54.752 55.300 -0.140 0.000 1.143 127 M CB 0.375 32.877 32.600 -0.163 0.000 1.530 127 M HN -0.852 7.280 8.290 -0.214 0.030 0.461 128 E N 2.735 122.907 120.200 -0.046 0.000 2.338 128 E HA -0.072 4.261 4.350 -0.029 0.000 0.272 128 E C -0.035 176.563 176.600 -0.003 0.000 1.029 128 E CA -0.109 56.275 56.400 -0.027 0.000 0.872 128 E CB 0.667 30.352 29.700 -0.025 0.000 1.015 128 E HN 0.159 8.490 8.360 -0.048 0.000 0.417 129 S N 4.556 120.257 115.700 0.001 0.000 2.414 129 S HA -0.096 4.535 4.470 0.061 -0.124 0.290 129 S C -0.553 174.053 174.600 0.010 0.000 1.160 129 S CA 0.681 58.896 58.200 0.025 0.000 1.069 129 S CB 0.159 63.359 63.200 0.001 0.000 1.012 129 S HN 0.333 8.636 8.310 -0.012 0.000 0.510 130 V N 6.165 126.099 119.914 0.033 0.000 3.048 130 V HA 0.066 4.187 4.120 0.001 0.000 0.241 130 V C -0.089 176.019 176.094 0.023 0.000 1.129 130 V CA 1.102 63.412 62.300 0.016 0.000 1.128 130 V CB 0.926 32.756 31.823 0.013 0.000 0.849 130 V HN 0.244 8.384 8.190 0.060 0.085 0.475 131 D N -0.238 120.196 120.400 0.057 0.000 2.366 131 D HA 0.075 4.737 4.640 0.036 0.000 0.205 131 D C -1.112 175.231 176.300 0.072 0.000 1.022 131 D CA 0.666 54.703 54.000 0.061 0.000 0.868 131 D CB 0.630 41.478 40.800 0.080 0.000 0.953 131 D HN -0.535 7.773 8.370 0.086 0.113 0.514 132 N N -1.792 116.956 118.700 0.080 0.000 2.708 132 N HA -0.230 4.538 4.740 0.047 0.000 0.249 132 N C -1.103 174.541 175.510 0.222 0.000 1.097 132 N CA 0.422 53.513 53.050 0.069 0.000 0.710 132 N CB -1.187 37.268 38.487 -0.054 0.000 1.032 132 N HN -0.189 8.239 8.380 0.079 0.000 0.551 133 R N -0.405 120.254 120.500 0.265 0.000 2.216 133 R HA 0.317 4.784 4.340 0.212 0.000 0.332 133 R C -2.458 173.979 176.300 0.228 0.000 1.056 133 R CA -2.181 54.071 56.100 0.254 0.000 0.901 133 R CB 0.813 31.262 30.300 0.249 0.000 1.039 133 R HN -0.222 8.182 8.270 0.255 0.019 0.456 134 P HA 0.184 4.391 4.420 -0.631 -0.166 0.271 134 P C -1.672 175.447 177.300 -0.302 0.000 1.216 134 P CA -0.266 62.680 63.100 -0.257 0.000 0.776 134 P CB 0.631 32.233 31.700 -0.162 0.000 0.881 135 V N 1.620 121.217 119.914 -0.529 0.000 2.686 135 V HA 0.339 4.491 4.120 -0.181 -0.140 0.306 135 V C -2.360 173.487 176.094 -0.411 0.000 1.065 135 V CA -2.273 59.831 62.300 -0.326 0.000 0.894 135 V CB 3.249 34.954 31.823 -0.196 0.000 1.004 135 V HN 0.181 7.933 8.190 -0.730 0.000 0.424 136 H N 8.030 127.095 119.070 -0.009 0.000 2.552 136 H HA 0.445 5.181 4.556 0.052 -0.149 0.311 136 H C -0.444 174.923 175.328 0.065 0.000 1.071 136 H CA -1.068 55.017 56.048 0.061 0.000 1.307 136 H CB 1.119 30.948 29.762 0.111 0.000 1.416 136 H HN 0.024 8.316 8.280 0.021 0.000 0.464 137 V N 6.060 126.074 119.914 0.168 0.000 2.383 137 V HA 0.470 4.856 4.120 0.087 -0.214 0.275 137 V C -1.434 174.834 176.094 0.289 0.000 1.036 137 V CA -0.644 61.739 62.300 0.138 0.000 0.889 137 V CB 0.918 32.745 31.823 0.006 0.000 0.985 137 V HN 0.354 8.620 8.190 0.127 0.000 0.459 138 L N 6.795 128.126 121.223 0.180 0.000 2.356 138 L HA 0.771 5.419 4.340 0.137 -0.225 0.277 138 L C -1.496 175.391 176.870 0.028 0.000 0.996 138 L CA -1.852 53.047 54.840 0.098 0.000 0.822 138 L CB 2.699 44.745 42.059 -0.022 0.000 1.256 138 L HN 0.597 8.892 8.230 0.108 0.000 0.413 139 N N 3.478 122.120 118.700 -0.097 0.000 2.419 139 N HA 0.387 5.282 4.740 -0.049 -0.184 0.277 139 N C -1.418 174.023 175.510 -0.115 0.000 1.006 139 N CA -0.638 52.327 53.050 -0.143 0.000 0.923 139 N CB 2.394 40.643 38.487 -0.397 0.000 1.140 139 N HN 0.393 8.663 8.380 -0.184 0.000 0.488 140 V N 6.459 126.333 119.914 -0.066 0.000 2.407 140 V HA 0.223 4.326 4.120 -0.029 0.000 0.291 140 V C -1.689 174.392 176.094 -0.021 0.000 1.018 140 V CA -1.269 61.010 62.300 -0.035 0.000 0.842 140 V CB 2.246 34.054 31.823 -0.024 0.000 0.996 140 V HN 0.340 8.498 8.190 -0.053 0.000 0.426 141 D N 8.566 128.957 120.400 -0.016 0.000 2.450 141 D HA -0.150 4.636 4.640 -0.008 -0.150 0.247 141 D C -0.933 175.369 176.300 0.004 0.000 1.162 141 D CA 1.600 55.596 54.000 -0.007 0.000 0.879 141 D CB 0.036 40.832 40.800 -0.008 0.000 1.163 141 D HN 0.465 8.825 8.370 -0.018 0.000 0.472 142 V N 3.977 123.896 119.914 0.009 0.000 2.443 142 V HA 0.294 4.421 4.120 0.012 0.000 0.293 142 V C -0.889 175.217 176.094 0.020 0.000 1.021 142 V CA -1.285 61.023 62.300 0.014 0.000 0.848 142 V CB 2.761 34.593 31.823 0.015 0.000 0.998 142 V HN -0.170 8.026 8.190 0.010 0.000 0.424 143 V N 7.180 127.105 119.914 0.018 0.000 2.694 143 V HA -0.280 3.855 4.120 0.025 0.000 0.306 143 V C -0.057 176.055 176.094 0.030 0.000 1.054 143 V CA 0.791 63.105 62.300 0.023 0.000 1.161 143 V CB 0.616 32.449 31.823 0.018 0.000 0.916 143 V HN 0.243 8.441 8.190 0.014 0.000 0.490 144 N N 6.875 125.598 118.700 0.038 0.000 3.124 144 N HA -0.026 4.740 4.740 0.044 0.000 0.284 144 N C -1.745 173.792 175.510 0.045 0.000 1.209 144 N CA -0.268 52.809 53.050 0.044 0.000 1.149 144 N CB -1.394 37.124 38.487 0.052 0.000 1.434 144 N HN 0.319 8.723 8.380 0.039 0.000 0.529 145 N N 1.701 120.425 118.700 0.039 0.000 2.732 145 N HA 0.111 4.876 4.740 0.041 0.000 0.259 145 N C -0.735 174.797 175.510 0.038 0.000 1.402 145 N CA -1.210 51.863 53.050 0.038 0.000 0.829 145 N CB 2.269 40.774 38.487 0.031 0.000 1.495 145 N HN -0.635 7.714 8.380 0.036 0.053 0.511 146 A N -0.358 122.484 122.820 0.038 0.000 1.940 146 A HA -0.232 4.122 4.320 0.056 0.000 0.219 146 A C 1.702 179.312 177.584 0.044 0.000 1.176 146 A CA 2.993 55.057 52.037 0.046 0.000 0.631 146 A CB -0.142 18.883 19.000 0.043 0.000 0.814 146 A HN 0.651 8.821 8.150 0.034 0.000 0.446 147 E N -1.963 118.253 120.200 0.028 0.000 2.046 147 E HA -0.277 4.088 4.350 0.026 0.000 0.190 147 E C 2.393 179.005 176.600 0.021 0.000 0.982 147 E CA 3.177 59.590 56.400 0.021 0.000 0.800 147 E CB -0.224 29.479 29.700 0.005 0.000 0.756 147 E HN -0.462 8.027 8.360 0.022 -0.115 0.449 148 D N -0.710 119.702 120.400 0.019 0.000 2.277 148 D HA -0.088 4.555 4.640 0.006 0.000 0.208 148 D C 2.036 178.352 176.300 0.027 0.000 0.962 148 D CA 2.669 56.678 54.000 0.015 0.000 0.865 148 D CB -0.037 40.770 40.800 0.013 0.000 0.939 148 D HN -0.186 8.528 8.370 0.020 -0.331 0.510 149 A N 0.111 122.954 122.820 0.038 0.000 1.968 149 A HA -0.215 4.127 4.320 0.036 0.000 0.217 149 A C 1.497 179.115 177.584 0.056 0.000 1.169 149 A CA 3.075 55.139 52.037 0.044 0.000 0.638 149 A CB -0.352 18.679 19.000 0.051 0.000 0.812 149 A HN 0.029 8.179 8.150 0.040 0.024 0.446 150 L N -1.333 119.937 121.223 0.078 0.000 2.072 150 L HA -0.213 4.209 4.340 0.136 0.000 0.205 150 L C 1.616 178.585 176.870 0.165 0.000 1.079 150 L CA 2.910 57.831 54.840 0.134 0.000 0.752 150 L CB -0.169 41.986 42.059 0.161 0.000 0.906 150 L HN -0.788 7.473 8.230 0.071 0.011 0.436 151 M N -2.788 116.856 119.600 0.074 0.000 2.108 151 M HA -0.366 4.103 4.480 -0.018 0.000 0.261 151 M C 2.367 178.700 176.300 0.054 0.000 1.066 151 M CA 3.313 58.628 55.300 0.025 0.000 1.107 151 M CB -1.256 31.328 32.600 -0.027 0.000 1.356 151 M HN -0.654 7.663 8.290 0.045 0.000 0.406 152 G N -2.465 106.353 108.800 0.030 0.000 2.422 152 G HA2 -0.356 3.613 3.960 0.016 0.000 0.218 152 G HA3 -0.356 3.609 3.960 0.009 0.000 0.218 152 G C 0.351 175.234 174.900 -0.028 0.000 1.146 152 G CA 2.020 47.126 45.100 0.011 0.000 0.769 152 G HN 0.118 8.425 8.290 0.030 0.000 0.547 153 A N 2.133 124.914 122.820 -0.065 0.000 1.902 153 A HA -0.298 3.925 4.320 -0.162 0.000 0.217 153 A C 1.574 178.852 177.584 -0.508 0.000 1.181 153 A CA 2.689 54.584 52.037 -0.238 0.000 0.623 153 A CB -0.509 18.342 19.000 -0.250 0.000 0.818 153 A HN -0.498 7.532 8.150 -0.020 0.107 0.443 154 F N -1.467 118.124 119.950 -0.598 0.000 2.075 154 F HA -0.433 3.589 4.527 -0.842 0.000 0.297 154 F C 2.056 177.726 175.800 -0.217 0.000 1.113 154 F CA 4.817 62.494 58.000 -0.538 0.000 1.218 154 F CB -0.062 38.750 39.000 -0.314 0.000 0.984 154 F HN -0.817 7.474 8.300 -0.016 0.000 0.472 155 V N -0.451 119.517 119.914 0.091 0.000 2.287 155 V HA -0.575 3.667 4.120 0.203 0.000 0.248 155 V C 2.167 178.318 176.094 0.096 0.000 1.053 155 V CA 4.315 66.701 62.300 0.143 0.000 1.027 155 V CB -0.127 31.775 31.823 0.132 0.000 0.646 155 V HN -0.487 7.759 8.190 0.093 0.000 0.447 156 I N -1.079 119.479 120.570 -0.021 0.000 2.208 156 I HA -0.540 3.555 4.170 -0.125 0.000 0.245 156 I C 1.938 177.970 176.117 -0.142 0.000 1.097 156 I CA 4.268 65.507 61.300 -0.102 0.000 1.363 156 I CB -0.397 37.539 38.000 -0.108 0.000 1.051 156 I HN -0.250 7.941 8.210 -0.032 0.000 0.413 157 T N 2.328 116.810 114.554 -0.119 0.000 2.821 157 T HA -0.422 3.827 4.350 -0.169 0.000 0.267 157 T C 1.966 176.657 174.700 -0.016 0.000 1.046 157 T CA 5.417 67.466 62.100 -0.084 0.000 1.139 157 T CB -0.308 68.586 68.868 0.044 0.000 0.871 157 T HN -0.464 7.603 8.240 -0.142 0.088 0.454 158 D N 1.929 122.367 120.400 0.063 0.000 2.144 158 D HA -0.223 4.512 4.640 0.159 0.000 0.199 158 D C 1.868 178.215 176.300 0.077 0.000 0.984 158 D CA 3.272 57.367 54.000 0.159 0.000 0.834 158 D CB -0.449 40.525 40.800 0.291 0.000 0.955 158 D HN -0.305 8.108 8.370 0.072 0.000 0.465 159 M N 0.586 120.093 119.600 -0.155 0.000 2.099 159 M HA -0.390 3.604 4.480 -0.809 0.000 0.262 159 M C 1.514 177.615 176.300 -0.330 0.000 1.067 159 M CA 3.885 58.838 55.300 -0.578 0.000 1.124 159 M CB 0.292 32.389 32.600 -0.838 0.000 1.353 159 M HN -0.526 7.604 8.290 -0.127 0.084 0.410 160 I N -1.284 119.116 120.570 -0.282 0.000 2.286 160 I HA -0.531 3.475 4.170 -0.273 0.000 0.248 160 I C 2.145 178.162 176.117 -0.167 0.000 1.115 160 I CA 2.612 63.730 61.300 -0.305 0.000 1.392 160 I CB -1.634 36.039 38.000 -0.545 0.000 1.065 160 I HN -0.165 7.878 8.210 -0.278 0.000 0.418 161 N N -0.264 118.410 118.700 -0.045 0.000 2.084 161 N HA -0.338 4.560 4.740 0.264 0.000 0.190 161 N C 2.134 177.694 175.510 0.083 0.000 1.030 161 N CA 2.967 56.098 53.050 0.135 0.000 0.849 161 N CB -0.357 38.235 38.487 0.176 0.000 1.012 161 N HN -0.277 8.069 8.380 -0.056 0.000 0.423 162 M N 0.511 120.131 119.600 0.033 0.000 2.080 162 M HA -0.348 4.166 4.480 0.056 0.000 0.260 162 M C 2.441 178.738 176.300 -0.007 0.000 1.068 162 M CA 3.760 59.077 55.300 0.028 0.000 1.109 162 M CB 0.235 32.853 32.600 0.031 0.000 1.342 162 M HN -0.704 7.594 8.290 0.014 0.000 0.405 163 M N -2.748 116.817 119.600 -0.057 0.000 2.229 163 M HA -0.214 4.219 4.480 -0.079 0.000 0.264 163 M C 2.426 178.721 176.300 -0.009 0.000 1.063 163 M CA 2.480 57.739 55.300 -0.069 0.000 1.114 163 M CB -0.974 31.550 32.600 -0.126 0.000 1.387 163 M HN -0.508 7.728 8.290 -0.091 0.000 0.420 164 A N -2.405 120.438 122.820 0.038 0.000 2.121 164 A HA -0.168 4.207 4.320 0.092 0.000 0.218 164 A C 0.121 177.750 177.584 0.075 0.000 1.154 164 A CA 2.098 54.193 52.037 0.097 0.000 0.679 164 A CB -0.680 18.448 19.000 0.214 0.000 0.795 164 A HN -0.443 7.730 8.150 0.039 0.000 0.458 165 K N -3.393 117.041 120.400 0.056 0.000 2.361 165 K HA -0.045 4.305 4.320 0.050 0.000 0.196 165 K C 0.525 177.143 176.600 0.031 0.000 1.039 165 K CA 0.232 56.547 56.287 0.046 0.000 1.001 165 K CB 0.145 32.672 32.500 0.046 0.000 0.795 165 K HN -0.749 7.490 8.250 0.049 0.041 0.495 166 S N 0.329 116.041 115.700 0.020 0.000 2.549 166 S HA -0.144 4.332 4.470 0.010 0.000 0.286 166 S C 1.164 175.777 174.600 0.021 0.000 1.314 166 S CA 1.219 59.426 58.200 0.011 0.000 1.062 166 S CB 0.507 63.701 63.200 -0.011 0.000 0.865 166 S HN -0.676 7.643 8.310 0.015 0.000 0.498 167 T N 2.050 116.616 114.554 0.021 0.000 3.081 167 T HA 0.044 4.411 4.350 0.029 0.000 0.255 167 T C 0.232 174.950 174.700 0.030 0.000 1.113 167 T CA 0.499 62.615 62.100 0.026 0.000 1.082 167 T CB 0.507 69.390 68.868 0.024 0.000 0.939 167 T HN 0.426 8.677 8.240 0.018 0.000 0.506 168 D N 1.736 122.152 120.400 0.027 0.000 2.584 168 D HA 0.149 4.816 4.640 0.045 0.000 0.238 168 D C -1.540 174.777 176.300 0.028 0.000 1.302 168 D CA -0.045 53.976 54.000 0.035 0.000 0.884 168 D CB 0.853 41.674 40.800 0.034 0.000 1.456 168 D HN -0.664 7.662 8.370 0.020 0.056 0.528 169 L N 4.151 125.393 121.223 0.032 0.000 2.046 169 L HA -0.169 4.139 4.340 -0.053 0.000 0.208 169 L C 0.806 177.664 176.870 -0.020 0.000 1.077 169 L CA 2.519 57.350 54.840 -0.015 0.000 0.747 169 L CB 0.239 42.299 42.059 0.001 0.000 0.896 169 L HN 0.333 8.592 8.230 0.049 0.000 0.432 170 D N -2.777 117.691 120.400 0.114 0.000 2.149 170 D HA -0.297 4.518 4.640 0.291 0.000 0.198 170 D C 1.516 177.877 176.300 0.101 0.000 0.990 170 D CA 2.926 57.040 54.000 0.190 0.000 0.839 170 D CB -0.661 40.267 40.800 0.212 0.000 0.948 170 D HN 0.382 8.835 8.370 0.137 0.000 0.460 171 N N -3.786 114.952 118.700 0.063 0.000 2.424 171 N HA -0.010 4.765 4.740 0.058 0.000 0.178 171 N C 0.501 176.020 175.510 0.015 0.000 1.060 171 N CA 1.046 54.124 53.050 0.046 0.000 0.901 171 N CB 0.581 39.095 38.487 0.045 0.000 0.979 171 N HN -0.725 7.833 8.380 0.060 -0.142 0.451 172 D N -1.479 118.914 120.400 -0.012 0.000 2.355 172 D HA 0.172 4.803 4.640 -0.016 0.000 0.206 172 D C 0.835 177.090 176.300 -0.074 0.000 1.010 172 D CA 1.193 55.175 54.000 -0.031 0.000 0.875 172 D CB 1.116 41.899 40.800 -0.029 0.000 0.966 172 D HN -0.490 7.766 8.370 -0.016 0.104 0.512 173 I N 0.474 120.962 120.570 -0.136 0.000 2.286 173 I HA -0.481 3.548 4.170 -0.235 0.000 0.248 173 I C 0.129 176.115 176.117 -0.218 0.000 1.115 173 I CA 3.410 64.559 61.300 -0.252 0.000 1.392 173 I CB 0.087 37.787 38.000 -0.499 0.000 1.065 173 I HN -0.378 7.755 8.210 -0.129 0.000 0.418 174 D N -1.320 119.006 120.400 -0.123 0.000 2.104 174 D HA -0.341 4.247 4.640 -0.086 0.000 0.194 174 D C 2.513 178.787 176.300 -0.043 0.000 0.994 174 D CA 3.911 57.876 54.000 -0.058 0.000 0.830 174 D CB -0.967 39.849 40.800 0.027 0.000 0.959 174 D HN 0.449 8.772 8.370 -0.078 0.000 0.452 175 E N 0.019 120.200 120.200 -0.031 0.000 2.072 175 E HA -0.241 4.107 4.350 -0.003 0.000 0.191 175 E C 2.676 179.266 176.600 -0.016 0.000 0.985 175 E CA 2.542 58.934 56.400 -0.014 0.000 0.801 175 E CB -0.138 29.558 29.700 -0.006 0.000 0.750 175 E HN -0.694 7.648 8.360 -0.030 0.000 0.452 176 L N -0.788 120.410 121.223 -0.042 0.000 2.046 176 L HA -0.352 3.989 4.340 0.002 0.000 0.208 176 L C 2.317 179.179 176.870 -0.013 0.000 1.077 176 L CA 3.103 57.924 54.840 -0.031 0.000 0.747 176 L CB -0.285 41.729 42.059 -0.074 0.000 0.896 176 L HN -0.547 7.645 8.230 -0.063 0.000 0.432 177 I N -1.357 119.169 120.570 -0.074 0.000 2.179 177 I HA -0.612 3.523 4.170 -0.059 0.000 0.242 177 I C 1.976 178.117 176.117 0.040 0.000 1.088 177 I CA 4.342 65.609 61.300 -0.054 0.000 1.357 177 I CB -0.193 37.727 38.000 -0.134 0.000 1.051 177 I HN 0.185 8.324 8.210 -0.119 0.000 0.409 178 Q N 0.111 119.924 119.800 0.021 0.000 2.084 178 Q HA -0.293 4.277 4.340 0.033 -0.210 0.202 178 Q C 2.169 178.195 176.000 0.044 0.000 0.978 178 Q CA 2.795 58.617 55.803 0.031 0.000 0.844 178 Q CB -0.491 28.257 28.738 0.018 0.000 0.898 178 Q HN -0.496 7.774 8.270 -0.000 0.000 0.426 179 E N 0.255 120.485 120.200 0.050 0.000 2.110 179 E HA -0.287 4.077 4.350 0.023 0.000 0.193 179 E C 2.169 178.810 176.600 0.068 0.000 0.988 179 E CA 2.486 58.914 56.400 0.047 0.000 0.804 179 E CB -0.534 29.194 29.700 0.047 0.000 0.745 179 E HN -0.513 7.874 8.360 0.044 0.000 0.458 180 F N -0.062 119.866 119.950 -0.036 0.000 2.186 180 F HA -0.301 4.209 4.527 -0.029 0.000 0.299 180 F C 1.684 177.464 175.800 -0.034 0.000 1.090 180 F CA 3.698 61.676 58.000 -0.035 0.000 1.307 180 F CB 0.489 39.461 39.000 -0.047 0.000 1.019 180 F HN -0.364 8.082 8.300 0.244 0.000 0.489 181 E N -0.016 120.260 120.200 0.126 0.000 2.077 181 E HA -0.385 4.153 4.350 0.042 -0.163 0.193 181 E C 2.600 179.170 176.600 -0.050 0.000 0.989 181 E CA 3.011 59.433 56.400 0.036 0.000 0.800 181 E CB -0.156 29.575 29.700 0.052 0.000 0.746 181 E HN -0.241 8.221 8.360 0.170 0.000 0.452 182 E N -1.539 118.638 120.200 -0.038 0.000 2.150 182 E HA -0.317 4.008 4.350 -0.043 0.000 0.193 182 E C 2.178 178.724 176.600 -0.089 0.000 0.985 182 E CA 2.715 59.085 56.400 -0.050 0.000 0.814 182 E CB -0.088 29.596 29.700 -0.027 0.000 0.752 182 E HN -0.359 7.993 8.360 -0.013 0.000 0.466 183 R N -1.675 118.742 120.500 -0.138 0.000 2.080 183 R HA -0.179 4.089 4.340 -0.121 0.000 0.222 183 R C 2.093 178.251 176.300 -0.236 0.000 1.107 183 R CA 2.712 58.709 56.100 -0.172 0.000 0.980 183 R CB 0.208 30.398 30.300 -0.183 0.000 0.879 183 R HN -0.481 7.702 8.270 -0.145 0.000 0.439 184 R N -3.954 116.326 120.500 -0.367 0.000 2.334 184 R HA 0.155 4.312 4.340 -0.305 0.000 0.216 184 R C -0.903 175.272 176.300 -0.210 0.000 0.905 184 R CA -1.468 54.406 56.100 -0.376 0.000 1.064 184 R CB 0.131 29.995 30.300 -0.726 0.000 1.046 184 R HN -0.377 7.639 8.270 -0.425 0.000 0.508 185 K N -4.582 115.727 120.400 -0.152 0.000 3.077 185 K HA -0.395 3.947 4.320 -0.071 -0.064 0.264 185 K C -1.023 175.540 176.600 -0.062 0.000 1.008 185 K CA 0.924 57.159 56.287 -0.086 0.000 0.740 185 K CB -3.519 28.937 32.500 -0.072 0.000 1.273 185 K HN -0.342 7.762 8.250 -0.157 0.052 0.477 186 R N -2.477 117.993 120.500 -0.050 0.000 2.628 186 R HA 0.240 4.574 4.340 -0.010 0.000 0.288 186 R C -1.482 174.833 176.300 0.025 0.000 0.980 186 R CA -1.564 54.534 56.100 -0.003 0.000 0.891 186 R CB 2.998 33.317 30.300 0.032 0.000 1.188 186 R HN -0.666 7.564 8.270 -0.066 0.000 0.450 187 V N 3.589 123.508 119.914 0.009 0.000 2.614 187 V HA -0.164 3.962 4.120 0.011 0.000 0.291 187 V C -0.894 175.197 176.094 -0.004 0.000 1.049 187 V CA 0.075 62.376 62.300 0.002 0.000 1.038 187 V CB 0.687 32.499 31.823 -0.019 0.000 0.980 187 V HN 0.317 8.506 8.190 -0.001 0.000 0.481 188 I N 6.202 126.769 120.570 -0.005 0.000 2.389 188 I HA 0.349 4.680 4.170 -0.064 -0.200 0.288 188 I C -0.572 175.494 176.117 -0.084 0.000 0.999 188 I CA -1.898 59.376 61.300 -0.042 0.000 1.129 188 I CB 2.119 40.108 38.000 -0.019 0.000 1.288 188 I HN -0.185 8.354 8.210 0.007 -0.325 0.444 189 L N 6.783 127.879 121.223 -0.210 0.000 2.331 189 L HA 0.183 4.412 4.340 -0.185 0.000 0.278 189 L C -1.581 175.210 176.870 -0.131 0.000 1.106 189 L CA -0.674 53.971 54.840 -0.324 0.000 0.824 189 L CB 0.732 42.253 42.059 -0.896 0.000 1.142 189 L HN -0.167 7.905 8.230 -0.263 0.000 0.443 190 H N 4.987 124.033 119.070 -0.041 0.000 2.759 190 H HA 0.827 5.687 4.556 0.120 -0.232 0.354 190 H C -1.291 174.141 175.328 0.173 0.000 1.074 190 H CA -1.977 54.123 56.048 0.087 0.000 1.226 190 H CB 2.832 32.611 29.762 0.030 0.000 1.648 190 H HN 0.234 8.577 8.280 0.105 0.000 0.529 191 S N 5.745 121.323 115.700 -0.203 0.000 2.548 191 S HA 0.327 4.549 4.470 -0.414 0.000 0.286 191 S C -2.061 172.294 174.600 -0.409 0.000 1.098 191 S CA -0.799 57.198 58.200 -0.338 0.000 0.930 191 S CB 2.876 65.996 63.200 -0.134 0.000 1.070 191 S HN 0.288 8.627 8.310 0.047 0.000 0.480 192 V N 3.826 123.509 119.914 -0.385 0.000 2.347 192 V HA 0.307 4.330 4.120 -0.414 -0.151 0.280 192 V C -0.764 175.004 176.094 -0.543 0.000 1.021 192 V CA -0.880 61.170 62.300 -0.416 0.000 0.847 192 V CB 0.637 32.268 31.823 -0.320 0.000 0.990 192 V HN 0.388 8.373 8.190 -0.341 0.000 0.444 193 L N 6.068 126.882 121.223 -0.681 0.000 2.267 193 L HA 0.565 4.621 4.340 -0.473 0.000 0.264 193 L C -1.605 174.635 176.870 -1.051 0.000 1.021 193 L CA -1.342 53.112 54.840 -0.644 0.000 0.861 193 L CB 3.785 45.634 42.059 -0.350 0.000 1.443 193 L HN 0.056 7.906 8.230 -0.632 0.000 0.475 194 F N -4.972 114.824 119.950 -0.257 0.000 2.574 194 F HA 0.590 5.184 4.527 -0.240 -0.212 0.313 194 F C 0.175 175.827 175.800 -0.247 0.000 1.130 194 F CA -1.185 56.679 58.000 -0.227 0.000 0.936 194 F CB 3.319 42.251 39.000 -0.113 0.000 1.219 194 F HN -0.033 8.199 8.300 -0.113 0.000 0.445 195 Y N 0.000 120.366 120.300 0.111 0.000 2.660 195 Y HA 0.000 4.567 4.550 0.028 0.000 0.201 195 Y CA 0.000 58.130 58.100 0.050 0.000 1.940 195 Y CB 0.000 38.466 38.460 0.010 0.000 1.050 195 Y HN 0.000 8.266 8.280 -0.023 0.000 0.758