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 2in2_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPNTEFALSL LRKNIMTITT SKGEFTGLGI HDRVCVIPTH AQPGDDVLVN DATA SEQUENCE GQKIRVKDKY KLVDPENINL ELTVLTLDRN EKFRDIRGFI SEDLEGVDAT DATA SEQUENCE LVVHSNNFTN TILEVGPVTM AGLINLSSTP TNRMIRYDYA TKTGQCGGVL DATA SEQUENCE CATGKIFGIH VGGNGRQGFS AQLKKQYFVE KQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.967 3.960 0.012 0.000 0.244 1 G C 0.000 174.918 174.900 0.029 0.000 0.946 1 G CA 0.000 45.110 45.100 0.016 0.000 0.502 2 P HA -0.013 4.439 4.420 0.053 0.000 0.223 2 P C 0.599 177.948 177.300 0.081 0.000 1.151 2 P CA 1.755 64.883 63.100 0.047 0.000 0.787 2 P CB -0.060 31.656 31.700 0.027 0.000 0.788 3 N N -4.071 114.667 118.700 0.063 0.000 2.188 3 N HA -0.277 4.529 4.740 0.109 0.000 0.184 3 N C 1.459 177.049 175.510 0.134 0.000 1.018 3 N CA 2.878 55.985 53.050 0.096 0.000 0.858 3 N CB -1.794 36.725 38.487 0.053 0.000 0.989 3 N HN 0.490 8.854 8.380 0.038 0.039 0.426 4 T N 2.674 117.276 114.554 0.079 0.000 2.777 4 T HA -0.296 4.087 4.350 0.053 0.000 0.266 4 T C 1.886 176.620 174.700 0.058 0.000 1.040 4 T CA 4.485 66.620 62.100 0.058 0.000 1.141 4 T CB -0.241 68.647 68.868 0.033 0.000 0.868 4 T HN -0.685 7.495 8.240 0.057 0.094 0.444 5 E N 1.261 121.501 120.200 0.067 0.000 2.106 5 E HA -0.236 4.126 4.350 0.020 0.000 0.192 5 E C 2.016 178.651 176.600 0.058 0.000 0.984 5 E CA 2.331 58.760 56.400 0.049 0.000 0.806 5 E CB -0.688 29.042 29.700 0.050 0.000 0.750 5 E HN -0.672 7.730 8.360 0.070 0.000 0.458 6 F N 1.401 121.335 119.950 -0.027 0.000 2.134 6 F HA -0.385 4.110 4.527 -0.053 0.000 0.299 6 F C 0.867 176.636 175.800 -0.052 0.000 1.097 6 F CA 3.479 61.453 58.000 -0.043 0.000 1.264 6 F CB -0.094 38.884 39.000 -0.036 0.000 1.001 6 F HN -0.058 8.388 8.300 0.243 0.000 0.479 7 A N -0.526 122.291 122.820 -0.006 0.000 1.940 7 A HA -0.366 3.860 4.320 -0.155 0.000 0.219 7 A C 1.582 179.066 177.584 -0.167 0.000 1.176 7 A CA 3.202 55.184 52.037 -0.091 0.000 0.631 7 A CB -0.704 18.312 19.000 0.027 0.000 0.814 7 A HN 0.101 8.271 8.150 0.160 0.076 0.446 8 L N -2.944 118.208 121.223 -0.118 0.000 2.141 8 L HA -0.229 4.048 4.340 -0.106 0.000 0.209 8 L C 1.825 178.593 176.870 -0.171 0.000 1.094 8 L CA 2.712 57.484 54.840 -0.114 0.000 0.763 8 L CB -0.218 41.804 42.059 -0.062 0.000 0.908 8 L HN -0.349 7.753 8.230 -0.066 0.089 0.437 9 S N -0.143 115.419 115.700 -0.230 0.000 2.395 9 S HA -0.207 4.155 4.470 -0.181 0.000 0.225 9 S C 2.036 176.420 174.600 -0.361 0.000 1.027 9 S CA 3.935 61.978 58.200 -0.262 0.000 0.965 9 S CB -0.121 62.932 63.200 -0.245 0.000 0.812 9 S HN -0.507 7.539 8.310 -0.232 0.125 0.482 10 L N 1.696 122.589 121.223 -0.550 0.000 2.141 10 L HA -0.180 3.864 4.340 -0.495 0.000 0.209 10 L C 0.890 177.583 176.870 -0.294 0.000 1.094 10 L CA 2.477 57.006 54.840 -0.519 0.000 0.763 10 L CB -0.258 41.389 42.059 -0.688 0.000 0.908 10 L HN 0.321 8.042 8.230 -0.667 0.108 0.437 11 L N -0.176 120.894 121.223 -0.255 0.000 1.971 11 L HA -0.439 3.773 4.340 -0.213 0.000 0.215 11 L C 1.630 178.382 176.870 -0.195 0.000 1.072 11 L CA 3.741 58.449 54.840 -0.219 0.000 0.758 11 L CB -0.276 41.657 42.059 -0.211 0.000 0.889 11 L HN 0.093 7.963 8.230 -0.276 0.195 0.433 12 R N -3.301 117.099 120.500 -0.167 0.000 2.235 12 R HA -0.252 4.019 4.340 -0.115 0.000 0.213 12 R C 1.263 177.511 176.300 -0.087 0.000 1.059 12 R CA 2.281 58.310 56.100 -0.119 0.000 0.997 12 R CB -0.249 29.990 30.300 -0.101 0.000 0.884 12 R HN -0.709 7.456 8.270 -0.176 0.000 0.462 13 K N -0.973 119.362 120.400 -0.108 0.000 2.102 13 K HA -0.036 4.255 4.320 -0.048 0.000 0.206 13 K C 0.805 177.418 176.600 0.021 0.000 1.031 13 K CA 1.725 57.971 56.287 -0.069 0.000 0.962 13 K CB 0.742 33.159 32.500 -0.138 0.000 0.811 13 K HN -0.658 7.303 8.250 -0.155 0.196 0.453 14 N N -3.918 114.766 118.700 -0.026 0.000 2.170 14 N HA 0.268 5.163 4.740 0.258 0.000 0.222 14 N C -1.443 174.013 175.510 -0.092 0.000 1.218 14 N CA -0.533 52.522 53.050 0.009 0.000 0.889 14 N CB 2.445 40.874 38.487 -0.096 0.000 1.083 14 N HN 0.060 8.266 8.380 -0.110 0.108 0.520 15 I N 0.851 121.377 120.570 -0.073 0.000 2.404 15 I HA 0.794 5.126 4.170 -0.085 -0.213 0.293 15 I C -1.671 174.428 176.117 -0.030 0.000 0.992 15 I CA -0.564 60.688 61.300 -0.079 0.000 1.149 15 I CB 2.149 40.078 38.000 -0.118 0.000 1.315 15 I HN -0.687 7.478 8.210 -0.075 0.000 0.446 16 M N 3.028 122.654 119.600 0.043 0.000 2.683 16 M HA 0.607 5.143 4.480 0.093 0.000 0.274 16 M C -2.286 174.125 176.300 0.186 0.000 1.272 16 M CA -2.341 53.028 55.300 0.115 0.000 0.833 16 M CB 3.309 35.988 32.600 0.132 0.000 1.708 16 M HN 0.356 8.665 8.290 0.031 0.000 0.463 17 T N 3.242 117.916 114.554 0.200 0.000 2.771 17 T HA 0.595 5.241 4.350 0.164 -0.198 0.291 17 T C -0.520 174.234 174.700 0.090 0.000 0.954 17 T CA 0.358 62.544 62.100 0.143 0.000 1.045 17 T CB 0.651 69.565 68.868 0.077 0.000 0.917 17 T HN 0.033 8.516 8.240 0.190 -0.129 0.484 18 I N 8.367 128.991 120.570 0.089 0.000 2.362 18 I HA 0.382 4.735 4.170 0.066 -0.143 0.289 18 I C -0.776 175.373 176.117 0.054 0.000 0.994 18 I CA -1.422 59.924 61.300 0.077 0.000 1.158 18 I CB 2.289 40.346 38.000 0.094 0.000 1.315 18 I HN 1.057 9.226 8.210 0.112 0.108 0.451 19 T N 10.333 124.903 114.554 0.026 0.000 2.855 19 T HA 0.191 4.621 4.350 -0.044 -0.107 0.290 19 T C -0.106 174.612 174.700 0.031 0.000 0.941 19 T CA 0.336 62.435 62.100 -0.002 0.000 1.030 19 T CB -1.132 67.728 68.868 -0.013 0.000 0.935 19 T HN 0.762 9.020 8.240 0.030 0.000 0.564 20 T N 3.629 118.222 114.554 0.065 0.000 2.888 20 T HA 0.219 4.608 4.350 0.064 0.000 0.283 20 T C -0.459 174.286 174.700 0.075 0.000 1.013 20 T CA -1.912 60.243 62.100 0.091 0.000 0.938 20 T CB 1.983 70.946 68.868 0.158 0.000 1.298 20 T HN 0.431 8.616 8.240 0.066 0.094 0.580 21 S N -0.821 114.926 115.700 0.078 0.000 2.406 21 S HA -0.173 4.324 4.470 0.045 0.000 0.228 21 S C 1.592 176.250 174.600 0.096 0.000 1.020 21 S CA 2.262 60.501 58.200 0.065 0.000 0.965 21 S CB 0.110 63.341 63.200 0.052 0.000 0.798 21 S HN 0.082 8.436 8.310 0.074 0.000 0.488 22 K N -1.481 119.025 120.400 0.177 0.000 2.228 22 K HA -0.044 4.387 4.320 0.186 0.000 0.202 22 K C 0.166 176.904 176.600 0.231 0.000 1.051 22 K CA -0.037 56.417 56.287 0.277 0.000 0.960 22 K CB 0.756 33.477 32.500 0.368 0.000 0.743 22 K HN -0.328 8.034 8.250 0.186 0.000 0.458 23 G N -1.939 106.900 108.800 0.065 0.000 2.356 23 G HA2 -0.065 3.781 3.960 -0.190 0.000 0.288 23 G HA3 -0.065 3.562 3.960 -0.554 0.000 0.288 23 G C -2.709 171.870 174.900 -0.534 0.000 1.302 23 G CA -0.296 44.599 45.100 -0.341 0.000 0.887 23 G HN -0.913 7.353 8.290 0.168 0.125 0.521 24 E N 1.194 121.045 120.200 -0.582 0.000 2.001 24 E HA 0.534 4.910 4.350 -0.201 -0.146 0.279 24 E C -0.734 175.576 176.600 -0.484 0.000 1.045 24 E CA -0.431 55.744 56.400 -0.375 0.000 0.833 24 E CB 0.162 29.731 29.700 -0.218 0.000 1.077 24 E HN 0.179 8.222 8.360 -0.528 0.000 0.397 25 F N 4.914 124.882 119.950 0.030 0.000 2.656 25 F HA 0.287 4.854 4.527 0.066 0.000 0.394 25 F C -0.123 175.709 175.800 0.054 0.000 1.168 25 F CA -1.469 56.559 58.000 0.047 0.000 1.135 25 F CB 3.127 42.149 39.000 0.037 0.000 1.480 25 F HN 0.741 9.069 8.300 0.048 0.000 0.500 26 T N 2.577 117.318 114.554 0.312 0.000 2.771 26 T HA 0.246 4.923 4.350 0.217 -0.197 0.291 26 T C -0.331 174.450 174.700 0.134 0.000 0.954 26 T CA 1.179 63.401 62.100 0.204 0.000 1.045 26 T CB 0.287 69.262 68.868 0.178 0.000 0.917 26 T HN 0.089 8.555 8.240 0.376 0.000 0.484 27 G N 4.721 113.576 108.800 0.092 0.000 2.417 27 G HA2 0.504 4.602 3.960 0.021 0.000 0.320 27 G HA3 0.504 4.473 3.960 0.016 0.000 0.320 27 G C -3.051 171.811 174.900 -0.063 0.000 1.204 27 G CA -1.116 43.995 45.100 0.018 0.000 0.923 27 G HN 0.762 9.119 8.290 0.113 0.000 0.466 28 L N 5.783 126.942 121.223 -0.106 0.000 2.272 28 L HA 0.672 5.039 4.340 -0.183 -0.137 0.289 28 L C -0.996 175.659 176.870 -0.359 0.000 1.032 28 L CA -1.694 53.036 54.840 -0.183 0.000 0.810 28 L CB 3.010 45.005 42.059 -0.106 0.000 1.205 28 L HN -0.502 7.686 8.230 -0.069 0.000 0.422 29 G N 6.009 114.449 108.800 -0.600 0.000 2.403 29 G HA2 0.211 3.671 3.960 -1.015 0.000 0.259 29 G HA3 0.211 3.122 3.960 -1.748 0.000 0.259 29 G C -0.752 173.858 174.900 -0.483 0.000 1.244 29 G CA -0.166 44.340 45.100 -0.991 0.000 0.849 29 G HN 0.739 8.611 8.290 -0.510 0.113 0.532 30 I N 2.370 122.700 120.570 -0.400 0.000 2.681 30 I HA 0.104 4.095 4.170 -0.298 0.000 0.247 30 I C -1.086 174.993 176.117 -0.064 0.000 1.091 30 I CA 0.272 61.379 61.300 -0.321 0.000 1.442 30 I CB 0.970 38.618 38.000 -0.586 0.000 1.219 30 I HN 0.796 8.629 8.210 -0.435 0.116 0.451 31 H N -7.221 111.858 119.070 0.015 0.000 3.068 31 H HA 0.322 5.089 4.556 0.141 -0.126 0.342 31 H C -0.832 174.621 175.328 0.210 0.000 1.284 31 H CA -1.204 54.915 56.048 0.117 0.000 1.181 31 H CB 2.315 32.121 29.762 0.074 0.000 1.898 31 H HN -0.739 7.387 8.280 -0.257 0.000 0.540 32 D N 2.802 123.418 120.400 0.360 0.000 4.471 32 D HA -0.541 4.199 4.640 0.166 0.000 0.191 32 D C 0.026 176.471 176.300 0.243 0.000 0.625 32 D CA 3.575 57.728 54.000 0.256 0.000 1.190 32 D CB -0.330 40.650 40.800 0.300 0.000 0.677 32 D HN 0.259 8.822 8.370 0.322 0.000 0.467 33 R N -0.216 120.438 120.500 0.255 0.000 2.549 33 R HA 0.261 4.849 4.340 0.413 0.000 0.344 33 R C -0.845 175.633 176.300 0.296 0.000 0.979 33 R CA -0.973 55.311 56.100 0.307 0.000 1.140 33 R CB 1.294 31.686 30.300 0.153 0.000 1.377 33 R HN -0.330 8.066 8.270 0.211 0.000 0.541 34 V N 1.731 121.725 119.914 0.132 0.000 2.427 34 V HA 0.142 4.451 4.120 0.066 -0.149 0.268 34 V C -1.203 174.815 176.094 -0.126 0.000 1.046 34 V CA 0.323 62.603 62.300 -0.033 0.000 0.970 34 V CB -0.645 30.984 31.823 -0.322 0.000 1.001 34 V HN 0.535 8.622 8.190 0.113 0.171 0.476 35 C N 8.127 127.381 119.300 -0.076 0.000 2.771 35 C HA 0.932 5.325 4.460 -0.338 -0.137 0.333 35 C C -2.475 172.498 174.990 -0.029 0.000 1.267 35 C CA -3.036 55.875 59.018 -0.179 0.000 1.721 35 C CB 4.176 31.805 27.740 -0.184 0.000 2.222 35 C HN 1.227 9.357 8.230 0.026 0.115 0.485 36 V N 2.799 122.692 119.914 -0.036 0.000 2.841 36 V HA 0.936 5.274 4.120 0.079 -0.171 0.310 36 V C -2.815 173.292 176.094 0.021 0.000 1.090 36 V CA -2.330 59.998 62.300 0.046 0.000 0.930 36 V CB 3.808 35.703 31.823 0.119 0.000 1.014 36 V HN 0.277 8.403 8.190 -0.106 0.000 0.425 37 I N 6.592 127.179 120.570 0.027 0.000 2.918 37 I HA 0.636 4.813 4.170 0.011 0.000 0.301 37 I C -3.052 173.056 176.117 -0.014 0.000 1.312 37 I CA -3.821 57.485 61.300 0.010 0.000 1.007 37 I CB 5.043 43.054 38.000 0.018 0.000 1.281 37 I HN 1.011 9.242 8.210 0.036 0.000 0.440 38 P HA 0.502 5.115 4.420 -0.031 -0.211 0.272 38 P C -0.591 176.655 177.300 -0.089 0.000 1.230 38 P CA -0.466 62.586 63.100 -0.081 0.000 0.788 38 P CB 0.957 32.553 31.700 -0.174 0.000 0.949 39 T N -0.315 114.220 114.554 -0.031 0.000 2.852 39 T HA -0.072 4.267 4.350 -0.018 0.000 0.256 39 T C 1.886 176.581 174.700 -0.009 0.000 1.038 39 T CA 3.555 65.651 62.100 -0.008 0.000 1.141 39 T CB 0.686 69.566 68.868 0.020 0.000 0.869 39 T HN -0.101 8.287 8.240 0.019 -0.137 0.439 40 H N 1.035 120.080 119.070 -0.043 0.000 2.561 40 H HA -0.130 4.415 4.556 -0.020 0.000 0.278 40 H C 0.951 176.270 175.328 -0.014 0.000 1.014 40 H CA 2.410 58.439 56.048 -0.031 0.000 1.211 40 H CB -1.025 28.710 29.762 -0.044 0.000 1.365 40 H HN 0.690 9.596 8.280 0.220 -0.494 0.594 41 A N -0.970 121.607 122.820 -0.406 0.000 2.066 41 A HA -0.264 3.914 4.320 -0.238 0.000 0.218 41 A C -1.354 176.210 177.584 -0.034 0.000 1.157 41 A CA 0.833 52.722 52.037 -0.247 0.000 0.670 41 A CB 0.008 18.848 19.000 -0.266 0.000 0.804 41 A HN 0.333 8.145 8.150 -0.437 0.077 0.453 42 Q N -5.333 114.450 119.800 -0.029 0.000 2.420 42 Q HA -0.336 4.068 4.340 0.004 -0.061 0.359 42 Q C -2.852 173.161 176.000 0.021 0.000 1.403 42 Q CA -0.863 54.945 55.803 0.009 0.000 0.982 42 Q CB -1.989 26.764 28.738 0.025 0.000 1.137 42 Q HN -0.090 7.977 8.270 -0.060 0.167 0.317 43 P HA 0.171 4.612 4.420 0.035 0.000 0.290 43 P C -0.629 176.680 177.300 0.015 0.000 1.276 43 P CA -0.916 62.198 63.100 0.023 0.000 0.808 43 P CB 0.530 32.243 31.700 0.021 0.000 0.966 44 G N 1.807 110.616 108.800 0.016 0.000 2.563 44 G HA2 0.000 3.964 3.960 0.007 0.000 0.283 44 G HA3 0.000 3.967 3.960 0.011 0.000 0.283 44 G C -0.572 174.331 174.900 0.004 0.000 1.309 44 G CA -0.581 44.524 45.100 0.009 0.000 1.022 44 G HN -0.213 8.090 8.290 0.022 0.000 0.501 45 D N -2.814 117.586 120.400 -0.001 0.000 2.234 45 D HA -0.143 4.489 4.640 -0.014 0.000 0.205 45 D C -1.247 175.052 176.300 -0.001 0.000 0.962 45 D CA 1.574 55.569 54.000 -0.007 0.000 0.855 45 D CB 0.087 40.881 40.800 -0.010 0.000 0.951 45 D HN 0.050 8.420 8.370 0.000 0.000 0.500 46 D N -4.710 115.693 120.400 0.005 0.000 2.646 46 D HA 0.442 5.201 4.640 0.012 -0.112 0.245 46 D C -1.789 174.519 176.300 0.014 0.000 1.099 46 D CA -1.391 52.615 54.000 0.010 0.000 0.849 46 D CB 3.018 43.823 40.800 0.008 0.000 1.448 46 D HN -0.691 7.655 8.370 0.005 0.027 0.489 47 V N -0.669 119.257 119.914 0.020 0.000 3.181 47 V HA 0.331 4.464 4.120 0.021 0.000 0.308 47 V C -2.781 173.328 176.094 0.026 0.000 1.214 47 V CA -2.755 59.560 62.300 0.025 0.000 1.053 47 V CB 4.066 35.909 31.823 0.032 0.000 1.069 47 V HN 0.846 9.048 8.190 0.022 0.000 0.441 48 L N 2.508 123.746 121.223 0.025 0.000 2.262 48 L HA 0.520 5.013 4.340 0.022 -0.140 0.288 48 L C -1.121 175.769 176.870 0.033 0.000 1.035 48 L CA -1.010 53.844 54.840 0.023 0.000 0.820 48 L CB 0.492 42.558 42.059 0.012 0.000 1.204 48 L HN 0.086 8.331 8.230 0.025 0.000 0.424 49 V N 5.400 125.339 119.914 0.041 0.000 2.334 49 V HA 0.253 4.541 4.120 0.061 -0.131 0.267 49 V C -0.558 175.566 176.094 0.049 0.000 1.040 49 V CA -1.410 60.925 62.300 0.057 0.000 0.866 49 V CB 0.922 32.791 31.823 0.077 0.000 1.019 49 V HN 0.971 9.183 8.190 0.036 0.000 0.468 50 N N 9.534 128.264 118.700 0.049 0.000 2.741 50 N HA -0.359 4.406 4.740 0.041 0.000 0.251 50 N C -0.405 175.118 175.510 0.021 0.000 1.112 50 N CA 1.515 54.590 53.050 0.042 0.000 0.750 50 N CB -0.896 37.623 38.487 0.053 0.000 1.119 50 N HN 1.191 9.604 8.380 0.055 0.000 0.561 51 G N -6.306 102.503 108.800 0.014 0.000 2.213 51 G HA2 -0.505 3.455 3.960 -0.000 0.000 0.236 51 G HA3 -0.505 3.456 3.960 0.002 0.000 0.236 51 G C -0.760 174.145 174.900 0.009 0.000 0.991 51 G CA -0.108 44.995 45.100 0.005 0.000 0.629 51 G HN 0.319 8.577 8.290 0.018 0.043 0.517 52 Q N 1.717 121.526 119.800 0.015 0.000 2.279 52 Q HA -0.035 4.311 4.340 0.009 0.000 0.256 52 Q C -0.245 175.764 176.000 0.016 0.000 0.937 52 Q CA -0.861 54.951 55.803 0.014 0.000 0.933 52 Q CB 0.868 29.616 28.738 0.016 0.000 1.189 52 Q HN -0.230 7.854 8.270 0.021 0.198 0.417 53 K N 4.167 124.574 120.400 0.012 0.000 2.416 53 K HA -0.066 4.405 4.320 0.014 -0.143 0.283 53 K C -0.468 176.141 176.600 0.015 0.000 1.037 53 K CA 1.313 57.608 56.287 0.012 0.000 0.995 53 K CB 0.297 32.802 32.500 0.008 0.000 0.938 53 K HN 0.403 8.658 8.250 0.009 0.000 0.475 54 I N 3.488 124.070 120.570 0.019 0.000 2.894 54 I HA 0.274 4.454 4.170 0.017 0.000 0.302 54 I C -2.618 173.512 176.117 0.021 0.000 1.188 54 I CA -2.095 59.218 61.300 0.022 0.000 1.014 54 I CB 4.727 42.747 38.000 0.033 0.000 1.242 54 I HN 0.843 9.065 8.210 0.020 0.000 0.430 55 R N 4.765 125.276 120.500 0.019 0.000 2.604 55 R HA 0.252 4.599 4.340 0.013 0.000 0.287 55 R C -1.262 175.049 176.300 0.018 0.000 0.970 55 R CA -1.008 55.101 56.100 0.014 0.000 0.946 55 R CB 2.176 32.481 30.300 0.009 0.000 1.127 55 R HN 0.420 8.701 8.270 0.018 0.000 0.473 56 V N 2.727 122.647 119.914 0.011 0.000 2.432 56 V HA -0.049 4.085 4.120 0.024 0.000 0.275 56 V C -0.717 175.372 176.094 -0.008 0.000 1.043 56 V CA 0.377 62.682 62.300 0.007 0.000 0.925 56 V CB 0.076 31.898 31.823 -0.003 0.000 0.985 56 V HN 0.472 8.665 8.190 0.005 0.000 0.466 57 K N 5.496 125.896 120.400 -0.001 0.000 2.021 57 K HA -0.126 4.190 4.320 -0.007 0.000 0.205 57 K C 0.087 176.655 176.600 -0.053 0.000 1.047 57 K CA 2.058 58.340 56.287 -0.008 0.000 0.943 57 K CB 0.709 33.223 32.500 0.022 0.000 0.725 57 K HN 0.631 8.892 8.250 0.018 0.000 0.439 58 D N -0.445 119.904 120.400 -0.085 0.000 2.787 58 D HA 0.133 4.605 4.640 -0.280 0.000 0.246 58 D C -2.011 174.065 176.300 -0.374 0.000 1.150 58 D CA -0.497 53.343 54.000 -0.267 0.000 0.864 58 D CB 3.357 44.011 40.800 -0.245 0.000 1.481 58 D HN -0.489 7.859 8.370 -0.036 0.000 0.509 59 K N 1.300 121.394 120.400 -0.510 0.000 2.535 59 K HA 0.440 4.636 4.320 -0.206 0.000 0.253 59 K C -1.314 175.039 176.600 -0.412 0.000 0.953 59 K CA -1.299 54.788 56.287 -0.333 0.000 0.863 59 K CB 0.234 32.642 32.500 -0.153 0.000 1.111 59 K HN 0.301 8.221 8.250 -0.550 0.000 0.431 60 Y N 4.558 124.858 120.300 -0.000 0.000 2.587 60 Y HA 0.085 4.629 4.550 -0.010 0.000 0.328 60 Y C -1.323 174.557 175.900 -0.034 0.000 0.980 60 Y CA -1.757 56.335 58.100 -0.015 0.000 1.272 60 Y CB 0.287 38.736 38.460 -0.018 0.000 1.094 60 Y HN 1.144 9.337 8.280 0.027 0.104 0.503 61 K N 5.137 125.580 120.400 0.071 0.000 2.278 61 K HA -0.077 4.254 4.320 0.018 0.000 0.289 61 K C -1.001 175.607 176.600 0.013 0.000 1.080 61 K CA 0.109 56.412 56.287 0.026 0.000 0.934 61 K CB -0.285 32.219 32.500 0.008 0.000 1.093 61 K HN 0.531 8.809 8.250 0.046 0.000 0.459 62 L N 8.669 129.874 121.223 -0.030 0.000 2.259 62 L HA 0.230 4.534 4.340 -0.060 0.000 0.288 62 L C -2.289 174.509 176.870 -0.119 0.000 1.051 62 L CA -0.645 54.135 54.840 -0.101 0.000 0.824 62 L CB 0.483 42.406 42.059 -0.227 0.000 1.206 62 L HN 0.224 8.434 8.230 -0.034 0.000 0.429 63 V N 0.779 120.649 119.914 -0.072 0.000 3.119 63 V HA 0.322 4.395 4.120 -0.077 0.000 0.311 63 V C -1.812 174.268 176.094 -0.023 0.000 1.259 63 V CA -3.433 58.835 62.300 -0.055 0.000 1.067 63 V CB 2.807 34.610 31.823 -0.033 0.000 1.123 63 V HN -0.531 7.633 8.190 -0.044 0.000 0.463 64 D N 0.715 121.111 120.400 -0.007 0.000 2.350 64 D HA 0.313 4.976 4.640 0.038 0.000 0.249 64 D C 0.184 176.490 176.300 0.011 0.000 1.119 64 D CA -1.970 52.040 54.000 0.017 0.000 0.886 64 D CB 2.497 43.307 40.800 0.016 0.000 1.195 64 D HN 0.266 8.626 8.370 -0.016 0.000 0.437 65 P HA -0.174 4.255 4.420 0.014 0.000 0.218 65 P C 0.152 177.456 177.300 0.007 0.000 1.150 65 P CA 1.550 64.658 63.100 0.014 0.000 0.841 65 P CB 0.267 31.977 31.700 0.016 0.000 0.784 66 E N -4.483 115.720 120.200 0.005 0.000 2.365 66 E HA -0.078 4.272 4.350 0.001 0.000 0.188 66 E C -0.464 176.133 176.600 -0.005 0.000 1.102 66 E CA -0.122 56.278 56.400 0.000 0.000 0.927 66 E CB -0.416 29.284 29.700 0.000 0.000 1.073 66 E HN -0.617 7.967 8.360 0.008 -0.220 0.467 67 N N -4.713 113.983 118.700 -0.006 0.000 2.850 67 N HA -0.439 4.294 4.740 -0.011 0.000 0.249 67 N C -1.422 174.077 175.510 -0.019 0.000 1.060 67 N CA 1.806 54.849 53.050 -0.012 0.000 0.825 67 N CB -1.847 36.633 38.487 -0.012 0.000 1.132 67 N HN 0.015 8.274 8.380 -0.002 0.120 0.564 68 I N -0.732 119.827 120.570 -0.017 0.000 2.441 68 I HA -0.186 3.965 4.170 -0.032 0.000 0.287 68 I C -0.800 175.298 176.117 -0.033 0.000 1.049 68 I CA -0.027 61.258 61.300 -0.025 0.000 1.381 68 I CB 0.439 38.429 38.000 -0.017 0.000 1.409 68 I HN -0.793 7.356 8.210 -0.011 0.055 0.523 69 N N 6.697 125.367 118.700 -0.049 0.000 2.458 69 N HA 0.058 4.769 4.740 -0.048 0.000 0.270 69 N C -0.766 174.707 175.510 -0.061 0.000 1.102 69 N CA 0.417 53.432 53.050 -0.058 0.000 0.967 69 N CB 1.277 39.718 38.487 -0.076 0.000 1.078 69 N HN 0.627 8.973 8.380 -0.057 0.000 0.471 70 L N 2.688 123.874 121.223 -0.061 0.000 2.513 70 L HA 0.113 4.423 4.340 -0.051 0.000 0.222 70 L C -0.349 176.481 176.870 -0.065 0.000 1.096 70 L CA -0.475 54.324 54.840 -0.069 0.000 0.857 70 L CB 0.940 42.929 42.059 -0.117 0.000 1.026 70 L HN 0.448 8.642 8.230 -0.060 0.000 0.469 71 E N -4.556 115.612 120.200 -0.054 0.000 2.637 71 E HA -0.309 4.038 4.350 -0.005 0.000 0.265 71 E C -1.978 174.612 176.600 -0.016 0.000 1.073 71 E CA 0.908 57.296 56.400 -0.020 0.000 0.778 71 E CB -1.271 28.416 29.700 -0.022 0.000 1.362 71 E HN 0.089 8.375 8.360 -0.056 0.041 0.413 72 L N -3.233 117.959 121.223 -0.052 0.000 2.362 72 L HA 0.417 4.739 4.340 -0.029 0.000 0.271 72 L C -2.085 174.753 176.870 -0.054 0.000 1.002 72 L CA -0.648 54.157 54.840 -0.059 0.000 0.818 72 L CB 4.288 46.275 42.059 -0.120 0.000 1.298 72 L HN -0.835 7.340 8.230 -0.069 0.014 0.420 73 T N 7.141 121.682 114.554 -0.020 0.000 2.937 73 T HA 0.448 4.955 4.350 0.004 -0.154 0.297 73 T C -1.760 172.969 174.700 0.049 0.000 0.991 73 T CA -0.555 61.550 62.100 0.008 0.000 0.990 73 T CB 2.005 70.878 68.868 0.008 0.000 0.991 73 T HN 0.769 9.004 8.240 -0.008 0.000 0.440 74 V N 7.994 127.966 119.914 0.097 0.000 2.427 74 V HA 0.475 4.830 4.120 0.153 -0.142 0.286 74 V C -1.790 174.448 176.094 0.241 0.000 1.034 74 V CA -0.654 61.750 62.300 0.174 0.000 0.893 74 V CB 0.904 32.822 31.823 0.158 0.000 0.982 74 V HN 0.843 9.094 8.190 0.103 0.000 0.452 75 L N 1.679 123.007 121.223 0.175 0.000 2.422 75 L HA 1.018 5.590 4.340 0.121 -0.160 0.264 75 L C -1.367 175.582 176.870 0.131 0.000 0.984 75 L CA -2.116 52.799 54.840 0.124 0.000 0.819 75 L CB 4.069 46.159 42.059 0.052 0.000 1.330 75 L HN 1.065 9.265 8.230 0.140 0.113 0.410 76 T N 4.597 119.225 114.554 0.124 0.000 2.762 76 T HA 0.432 5.091 4.350 0.148 -0.220 0.303 76 T C -1.240 173.519 174.700 0.098 0.000 0.977 76 T CA 0.883 63.062 62.100 0.132 0.000 0.961 76 T CB -0.058 68.902 68.868 0.153 0.000 0.944 76 T HN 1.004 9.168 8.240 0.071 0.119 0.481 77 L N 7.293 128.595 121.223 0.131 0.000 2.350 77 L HA 0.104 4.492 4.340 0.080 0.000 0.275 77 L C -1.411 175.514 176.870 0.092 0.000 1.099 77 L CA -0.446 54.463 54.840 0.115 0.000 0.808 77 L CB 2.546 44.707 42.059 0.171 0.000 1.149 77 L HN 0.734 9.070 8.230 0.177 0.000 0.442 78 D N 5.590 126.024 120.400 0.057 0.000 2.508 78 D HA 0.015 4.677 4.640 0.037 0.000 0.224 78 D C -1.501 174.809 176.300 0.017 0.000 1.171 78 D CA 0.233 54.253 54.000 0.034 0.000 1.006 78 D CB -0.052 40.761 40.800 0.023 0.000 1.073 78 D HN -0.013 8.387 8.370 0.050 0.000 0.513 79 R N 5.166 125.665 120.500 -0.001 0.000 2.670 79 R HA 0.309 4.630 4.340 -0.032 0.000 0.289 79 R C 0.432 176.686 176.300 -0.077 0.000 0.965 79 R CA -2.208 53.862 56.100 -0.050 0.000 0.899 79 R CB 2.864 33.105 30.300 -0.098 0.000 1.173 79 R HN -0.470 7.769 8.270 0.011 0.038 0.456 80 N N 5.336 123.993 118.700 -0.073 0.000 2.039 80 N HA -0.307 4.404 4.740 -0.048 0.000 0.193 80 N C 0.055 175.505 175.510 -0.100 0.000 1.044 80 N CA 2.338 55.348 53.050 -0.067 0.000 0.847 80 N CB -0.992 37.466 38.487 -0.049 0.000 1.030 80 N HN 0.441 8.784 8.380 -0.061 0.000 0.422 81 E N 0.097 120.212 120.200 -0.140 0.000 2.383 81 E HA -0.032 4.244 4.350 -0.123 0.000 0.264 81 E C -0.171 176.255 176.600 -0.291 0.000 1.050 81 E CA -0.106 56.189 56.400 -0.176 0.000 0.896 81 E CB 0.550 30.149 29.700 -0.167 0.000 0.982 81 E HN 0.077 8.358 8.360 -0.132 0.000 0.424 82 K N 0.577 120.839 120.400 -0.231 0.000 2.123 82 K HA 0.273 4.603 4.320 -0.300 -0.190 0.259 82 K C -0.162 176.281 176.600 -0.261 0.000 0.960 82 K CA -1.253 54.895 56.287 -0.232 0.000 0.872 82 K CB 1.442 33.910 32.500 -0.053 0.000 1.079 82 K HN -0.036 8.123 8.250 -0.153 0.000 0.440 83 F N 0.689 120.648 119.950 0.016 0.000 2.389 83 F HA -0.112 4.406 4.527 -0.016 0.000 0.337 83 F C 0.264 176.075 175.800 0.019 0.000 1.112 83 F CA 0.420 58.420 58.000 0.001 0.000 1.192 83 F CB 0.760 39.752 39.000 -0.013 0.000 1.185 83 F HN 0.641 8.743 8.300 -0.120 0.125 0.552 84 R N 2.276 122.888 120.500 0.186 0.000 2.401 84 R HA -0.154 4.247 4.340 0.103 0.000 0.299 84 R C -0.665 175.716 176.300 0.136 0.000 1.064 84 R CA -0.694 55.473 56.100 0.112 0.000 1.000 84 R CB 0.486 30.807 30.300 0.036 0.000 0.973 84 R HN -0.210 8.351 8.270 0.189 -0.177 0.438 85 D N 6.986 127.481 120.400 0.158 0.000 2.359 85 D HA -0.157 4.850 4.640 0.221 -0.235 0.273 85 D C 0.839 177.261 176.300 0.203 0.000 1.362 85 D CA 0.805 54.914 54.000 0.182 0.000 1.010 85 D CB -0.196 40.685 40.800 0.135 0.000 1.090 85 D HN 0.359 8.814 8.370 0.141 0.000 0.521 86 I N 0.256 120.915 120.570 0.148 0.000 3.812 86 I HA 0.110 4.537 4.170 0.428 0.000 0.319 86 I C 0.096 176.347 176.117 0.223 0.000 1.353 86 I CA -0.914 60.511 61.300 0.207 0.000 1.170 86 I CB -1.030 36.979 38.000 0.015 0.000 1.057 86 I HN 0.526 8.790 8.210 0.090 0.000 0.411 87 R N 3.346 123.940 120.500 0.155 0.000 2.090 87 R HA -0.142 4.205 4.340 0.012 0.000 0.228 87 R C 2.000 178.340 176.300 0.067 0.000 1.110 87 R CA 3.004 59.150 56.100 0.078 0.000 0.973 87 R CB -0.531 29.825 30.300 0.093 0.000 0.869 87 R HN 0.111 8.485 8.270 0.175 0.002 0.440 88 G N -2.052 106.780 108.800 0.052 0.000 2.744 88 G HA2 -0.062 3.840 3.960 -0.098 0.000 0.211 88 G HA3 -0.062 3.774 3.960 -0.206 0.000 0.211 88 G C 0.146 174.876 174.900 -0.284 0.000 1.143 88 G CA 0.523 45.545 45.100 -0.130 0.000 0.788 88 G HN -0.451 8.082 8.290 0.124 -0.169 0.534 89 F N -1.839 118.093 119.950 -0.030 0.000 2.664 89 F HA 0.127 4.607 4.527 -0.080 0.000 0.303 89 F C -0.844 174.895 175.800 -0.102 0.000 1.092 89 F CA -0.886 57.081 58.000 -0.055 0.000 1.305 89 F CB 0.461 39.470 39.000 0.016 0.000 1.054 89 F HN -0.859 7.484 8.300 0.287 0.129 0.565 90 I N 0.481 121.079 120.570 0.046 0.000 2.556 90 I HA -0.139 4.134 4.170 -0.037 -0.125 0.284 90 I C -0.347 175.720 176.117 -0.083 0.000 1.114 90 I CA 0.880 62.172 61.300 -0.014 0.000 1.418 90 I CB 0.770 38.794 38.000 0.040 0.000 1.394 90 I HN -0.649 7.400 8.210 0.049 0.191 0.552 91 S N 6.872 122.463 115.700 -0.181 0.000 2.532 91 S HA 0.281 4.675 4.470 -0.127 0.000 0.318 91 S C -0.024 174.553 174.600 -0.038 0.000 1.083 91 S CA -1.547 56.530 58.200 -0.203 0.000 1.131 91 S CB 0.117 62.997 63.200 -0.533 0.000 0.973 91 S HN 0.742 8.791 8.310 -0.230 0.124 0.468 92 E N 5.497 125.715 120.200 0.030 0.000 2.489 92 E HA -0.027 4.404 4.350 0.134 0.000 0.193 92 E C -0.593 176.071 176.600 0.106 0.000 1.057 92 E CA -0.213 56.240 56.400 0.090 0.000 0.866 92 E CB 0.018 29.757 29.700 0.065 0.000 0.916 92 E HN 0.297 8.659 8.360 0.003 0.000 0.500 93 D N 0.107 120.569 120.400 0.103 0.000 2.347 93 D HA 0.076 4.777 4.640 0.102 0.000 0.235 93 D C -0.866 175.585 176.300 0.252 0.000 1.149 93 D CA -0.232 53.843 54.000 0.125 0.000 0.850 93 D CB 0.523 41.372 40.800 0.081 0.000 1.061 93 D HN -0.643 7.686 8.370 0.063 0.078 0.487 94 L N 4.138 125.492 121.223 0.218 0.000 2.675 94 L HA 0.161 4.779 4.340 0.463 0.000 0.178 94 L C -0.396 176.506 176.870 0.054 0.000 1.135 94 L CA 1.035 56.013 54.840 0.230 0.000 0.855 94 L CB 1.155 43.320 42.059 0.178 0.000 1.235 94 L HN 0.097 8.413 8.230 0.144 0.000 0.499 95 E N 0.166 120.393 120.200 0.044 0.000 2.415 95 E HA -0.317 4.214 4.350 -0.021 -0.194 0.260 95 E C 1.147 177.749 176.600 0.003 0.000 1.016 95 E CA 1.177 57.581 56.400 0.008 0.000 0.924 95 E CB -0.215 29.498 29.700 0.021 0.000 0.961 95 E HN -0.510 7.891 8.360 0.069 0.000 0.459 96 G N 6.327 115.112 108.800 -0.025 0.000 2.213 96 G HA2 -0.386 3.560 3.960 -0.022 0.000 0.226 96 G HA3 -0.386 3.572 3.960 -0.002 0.000 0.226 96 G C -1.088 173.795 174.900 -0.029 0.000 0.992 96 G CA -0.180 44.909 45.100 -0.019 0.000 0.632 96 G HN 0.694 8.956 8.290 -0.047 0.000 0.511 97 V N 2.731 122.616 119.914 -0.048 0.000 2.539 97 V HA 0.105 4.224 4.120 -0.002 0.000 0.292 97 V C -0.885 175.118 176.094 -0.151 0.000 1.045 97 V CA -1.106 61.172 62.300 -0.038 0.000 0.945 97 V CB 0.752 32.639 31.823 0.106 0.000 0.993 97 V HN -0.392 7.689 8.190 -0.064 0.070 0.464 98 D N 5.776 126.120 120.400 -0.093 0.000 2.348 98 D HA 0.033 4.656 4.640 -0.178 -0.090 0.253 98 D C -1.130 175.071 176.300 -0.164 0.000 1.161 98 D CA 0.839 54.758 54.000 -0.135 0.000 0.876 98 D CB 0.551 41.304 40.800 -0.078 0.000 1.160 98 D HN 0.265 8.615 8.370 -0.032 0.000 0.459 99 A N 5.126 127.773 122.820 -0.287 0.000 2.380 99 A HA 0.330 4.627 4.320 -0.038 0.000 0.315 99 A C -1.869 175.582 177.584 -0.221 0.000 1.101 99 A CA -1.594 50.280 52.037 -0.271 0.000 0.771 99 A CB 3.881 22.515 19.000 -0.610 0.000 1.287 99 A HN 0.965 8.819 8.150 -0.319 0.104 0.436 100 T N 2.240 116.739 114.554 -0.093 0.000 2.829 100 T HA 0.354 4.699 4.350 -0.179 -0.102 0.280 100 T C -1.770 172.879 174.700 -0.084 0.000 0.999 100 T CA -0.541 61.498 62.100 -0.101 0.000 0.983 100 T CB 2.362 71.220 68.868 -0.016 0.000 0.968 100 T HN 0.866 9.016 8.240 0.036 0.112 0.446 101 L N 8.547 129.688 121.223 -0.138 0.000 2.255 101 L HA 0.305 4.739 4.340 -0.049 -0.124 0.289 101 L C -2.588 174.250 176.870 -0.052 0.000 1.046 101 L CA -1.441 53.341 54.840 -0.097 0.000 0.816 101 L CB 0.688 42.658 42.059 -0.148 0.000 1.197 101 L HN 1.128 9.144 8.230 -0.180 0.106 0.427 102 V N 9.089 129.000 119.914 -0.005 0.000 2.311 102 V HA 0.474 4.800 4.120 0.009 -0.200 0.275 102 V C -1.577 174.532 176.094 0.025 0.000 1.022 102 V CA -1.385 60.924 62.300 0.015 0.000 0.830 102 V CB -0.194 31.648 31.823 0.032 0.000 1.012 102 V HN 1.118 9.206 8.190 0.019 0.114 0.452 103 V N 7.874 127.797 119.914 0.015 0.000 2.459 103 V HA 0.263 4.419 4.120 0.060 0.000 0.295 103 V C -2.777 173.412 176.094 0.158 0.000 1.029 103 V CA -2.498 59.821 62.300 0.032 0.000 0.874 103 V CB 2.297 34.029 31.823 -0.152 0.000 0.985 103 V HN 0.774 8.966 8.190 0.003 0.000 0.438 104 H N 9.841 128.964 119.070 0.089 0.000 2.854 104 H HA 0.972 5.924 4.556 0.127 -0.319 0.275 104 H C -0.874 174.534 175.328 0.133 0.000 1.198 104 H CA -1.940 54.172 56.048 0.105 0.000 1.489 104 H CB 1.312 31.108 29.762 0.056 0.000 1.519 104 H HN 0.869 9.280 8.280 0.218 0.000 0.503 105 S N 7.469 123.135 115.700 -0.057 0.000 2.798 105 S HA 0.295 4.782 4.470 -0.048 -0.046 0.312 105 S C -0.086 174.375 174.600 -0.232 0.000 1.122 105 S CA -1.754 56.414 58.200 -0.053 0.000 0.949 105 S CB 2.756 66.080 63.200 0.207 0.000 1.235 105 S HN 0.713 8.924 8.310 0.038 0.123 0.552 106 N N 1.429 120.005 118.700 -0.206 0.000 2.188 106 N HA -0.274 4.338 4.740 -0.213 0.000 0.184 106 N C 0.757 176.150 175.510 -0.195 0.000 1.018 106 N CA 2.573 55.502 53.050 -0.202 0.000 0.858 106 N CB -0.254 38.126 38.487 -0.179 0.000 0.989 106 N HN 0.169 8.420 8.380 -0.216 0.000 0.426 107 N N 0.094 118.660 118.700 -0.224 0.000 2.124 107 N HA -0.163 4.407 4.740 -0.284 0.000 0.188 107 N C -0.439 174.864 175.510 -0.344 0.000 1.045 107 N CA 2.013 54.853 53.050 -0.349 0.000 0.846 107 N CB 0.594 38.734 38.487 -0.578 0.000 1.020 107 N HN -0.078 8.180 8.380 -0.203 0.000 0.432 108 F N -1.252 118.658 119.950 -0.067 0.000 2.566 108 F HA 0.133 4.650 4.527 -0.017 0.000 0.349 108 F C -0.203 175.554 175.800 -0.071 0.000 1.245 108 F CA -1.105 56.874 58.000 -0.035 0.000 1.169 108 F CB -1.556 37.449 39.000 0.009 0.000 1.470 108 F HN -0.112 8.173 8.300 -0.026 0.000 0.634 109 T N 2.417 117.003 114.554 0.052 0.000 3.185 109 T HA -0.102 4.173 4.350 -0.125 0.000 0.287 109 T C 0.378 175.188 174.700 0.182 0.000 1.051 109 T CA -0.329 61.792 62.100 0.036 0.000 1.051 109 T CB -1.113 67.761 68.868 0.009 0.000 1.034 109 T HN -0.179 8.071 8.240 0.017 0.000 0.685 110 N N 5.154 124.029 118.700 0.291 0.000 2.610 110 N HA -0.489 4.514 4.740 0.240 -0.120 0.271 110 N C -1.600 173.996 175.510 0.142 0.000 1.146 110 N CA 1.071 54.262 53.050 0.234 0.000 0.711 110 N CB -0.779 37.819 38.487 0.185 0.000 0.883 110 N HN 0.210 8.724 8.380 0.274 0.031 0.548 111 T N 3.831 118.470 114.554 0.141 0.000 2.762 111 T HA 0.234 4.645 4.350 0.101 0.000 0.303 111 T C -0.986 173.744 174.700 0.050 0.000 0.977 111 T CA 0.721 62.885 62.100 0.107 0.000 0.961 111 T CB 0.491 69.453 68.868 0.157 0.000 0.944 111 T HN 0.482 8.716 8.240 0.162 0.103 0.481 112 I N 8.723 129.316 120.570 0.038 0.000 2.287 112 I HA 0.118 4.419 4.170 0.007 -0.127 0.290 112 I C -1.284 174.828 176.117 -0.008 0.000 1.069 112 I CA -0.477 60.831 61.300 0.013 0.000 1.237 112 I CB 0.003 38.014 38.000 0.020 0.000 1.418 112 I HN 0.511 8.750 8.210 0.047 0.000 0.481 113 L N 9.596 130.795 121.223 -0.040 0.000 2.298 113 L HA 0.450 4.761 4.340 -0.049 0.000 0.284 113 L C -1.812 174.968 176.870 -0.149 0.000 1.013 113 L CA -1.693 53.103 54.840 -0.073 0.000 0.824 113 L CB 3.123 45.147 42.059 -0.058 0.000 1.221 113 L HN 0.867 8.965 8.230 -0.048 0.104 0.418 114 E N 7.363 127.472 120.200 -0.152 0.000 2.299 114 E HA -0.069 4.168 4.350 -0.189 0.000 0.272 114 E C -0.157 176.227 176.600 -0.359 0.000 1.043 114 E CA 1.176 57.456 56.400 -0.200 0.000 0.895 114 E CB -0.329 29.293 29.700 -0.130 0.000 1.011 114 E HN 0.561 8.857 8.360 -0.107 0.000 0.432 115 V N -0.650 118.990 119.914 -0.457 0.000 3.431 115 V HA 0.165 3.656 4.120 -1.047 0.000 0.253 115 V C 0.272 176.086 176.094 -0.468 0.000 1.184 115 V CA -0.035 61.843 62.300 -0.702 0.000 1.104 115 V CB 1.009 32.358 31.823 -0.791 0.000 0.799 115 V HN 0.245 8.202 8.190 -0.388 0.000 0.462 116 G N -0.125 108.481 108.800 -0.323 0.000 2.384 116 G HA2 -0.210 3.655 3.960 -0.159 0.000 0.204 116 G HA3 -0.210 3.656 3.960 -0.157 0.000 0.204 116 G C -3.224 171.559 174.900 -0.195 0.000 1.237 116 G CA -0.483 44.497 45.100 -0.200 0.000 1.060 116 G HN -0.639 7.460 8.290 -0.318 0.000 0.514 117 P HA 0.366 4.821 4.420 -0.155 -0.128 0.282 117 P C -0.900 176.336 177.300 -0.107 0.000 1.262 117 P CA -0.638 62.391 63.100 -0.119 0.000 0.773 117 P CB 0.130 31.792 31.700 -0.063 0.000 0.879 118 V N 0.932 120.742 119.914 -0.174 0.000 2.686 118 V HA 0.224 4.356 4.120 0.020 0.000 0.295 118 V C -0.657 175.407 176.094 -0.050 0.000 1.057 118 V CA -1.622 60.616 62.300 -0.104 0.000 1.012 118 V CB 0.855 32.534 31.823 -0.240 0.000 1.006 118 V HN 0.639 8.674 8.190 -0.257 0.000 0.477 119 T N -0.958 113.600 114.554 0.007 0.000 2.907 119 T HA 0.623 4.974 4.350 0.000 0.000 0.290 119 T C -1.958 172.758 174.700 0.026 0.000 1.066 119 T CA -2.586 59.519 62.100 0.008 0.000 1.012 119 T CB 2.846 71.717 68.868 0.005 0.000 1.184 119 T HN 0.404 8.671 8.240 0.046 0.000 0.522 120 M N 1.337 120.956 119.600 0.031 0.000 2.157 120 M HA 0.152 4.669 4.480 0.061 0.000 0.354 120 M C -0.959 175.367 176.300 0.044 0.000 1.170 120 M CA -0.353 54.976 55.300 0.047 0.000 1.060 120 M CB 1.684 34.315 32.600 0.051 0.000 1.615 120 M HN 0.459 9.174 8.290 0.025 -0.410 0.460 121 A N 5.370 128.227 122.820 0.060 0.000 1.871 121 A HA 0.127 4.478 4.320 0.051 0.000 0.211 121 A C 0.061 177.683 177.584 0.063 0.000 1.207 121 A CA 0.997 53.075 52.037 0.069 0.000 0.620 121 A CB 1.043 20.118 19.000 0.125 0.000 0.860 121 A HN 0.481 8.675 8.150 0.074 0.000 0.450 122 G N -1.505 107.335 108.800 0.068 0.000 2.754 122 G HA2 -0.296 3.698 3.960 0.056 0.000 0.241 122 G HA3 -0.296 3.690 3.960 0.043 0.000 0.241 122 G C -2.309 172.619 174.900 0.046 0.000 1.281 122 G CA -0.204 44.928 45.100 0.053 0.000 0.971 122 G HN -0.416 7.923 8.290 0.082 0.000 0.569 123 L N 3.934 125.175 121.223 0.031 0.000 2.294 123 L HA 0.917 5.491 4.340 0.010 -0.228 0.283 123 L C -0.456 176.420 176.870 0.009 0.000 1.015 123 L CA -1.671 53.178 54.840 0.015 0.000 0.831 123 L CB 1.438 43.503 42.059 0.009 0.000 1.217 123 L HN -0.042 8.205 8.230 0.029 0.000 0.420 124 I N 1.963 122.531 120.570 -0.003 0.000 3.042 124 I HA 0.532 4.701 4.170 -0.001 0.000 0.310 124 I C -3.135 172.948 176.117 -0.056 0.000 1.117 124 I CA -3.342 57.954 61.300 -0.007 0.000 1.003 124 I CB 4.334 42.358 38.000 0.040 0.000 1.228 124 I HN 0.662 8.862 8.210 -0.017 0.000 0.443 125 N N 0.804 119.471 118.700 -0.055 0.000 2.405 125 N HA 0.399 5.226 4.740 -0.109 -0.152 0.299 125 N C -1.305 174.136 175.510 -0.115 0.000 1.075 125 N CA -0.967 52.032 53.050 -0.086 0.000 0.884 125 N CB 2.029 40.481 38.487 -0.058 0.000 1.194 125 N HN 0.065 8.427 8.380 -0.030 0.000 0.491 126 L N 3.419 124.541 121.223 -0.168 0.000 2.366 126 L HA 0.332 4.592 4.340 -0.133 0.000 0.266 126 L C -0.638 176.154 176.870 -0.132 0.000 1.010 126 L CA -0.561 54.167 54.840 -0.187 0.000 0.879 126 L CB 0.923 42.767 42.059 -0.359 0.000 1.228 126 L HN 1.020 9.033 8.230 -0.172 0.114 0.439 127 S N 7.303 122.953 115.700 -0.083 0.000 3.706 127 S HA -0.377 4.065 4.470 -0.046 0.000 0.363 127 S C -0.623 173.940 174.600 -0.062 0.000 0.999 127 S CA 1.531 59.693 58.200 -0.063 0.000 1.143 127 S CB -1.684 61.477 63.200 -0.066 0.000 0.902 127 S HN 0.867 9.137 8.310 -0.066 0.000 0.476 128 S N -7.835 107.830 115.700 -0.058 0.000 2.427 128 S HA -0.306 4.185 4.470 -0.044 -0.048 0.253 128 S C -0.101 174.462 174.600 -0.062 0.000 1.246 128 S CA 2.400 60.570 58.200 -0.051 0.000 1.421 128 S CB -0.569 62.607 63.200 -0.040 0.000 1.769 128 S HN 0.449 9.064 8.310 -0.057 -0.339 0.620 129 T N 5.602 120.106 114.554 -0.084 0.000 2.727 129 T HA 0.273 4.576 4.350 -0.078 0.000 0.295 129 T C -2.167 172.469 174.700 -0.107 0.000 0.915 129 T CA -0.704 61.338 62.100 -0.097 0.000 1.066 129 T CB 0.198 68.991 68.868 -0.125 0.000 0.891 129 T HN -0.543 7.438 8.240 -0.094 0.202 0.516 130 P HA 0.298 4.785 4.420 -0.078 -0.114 0.282 130 P C -1.150 176.098 177.300 -0.087 0.000 1.274 130 P CA -0.820 62.235 63.100 -0.075 0.000 0.770 130 P CB 0.404 32.075 31.700 -0.049 0.000 0.867 131 T N 1.613 116.105 114.554 -0.103 0.000 2.807 131 T HA 0.637 5.160 4.350 -0.092 -0.228 0.279 131 T C -1.243 173.425 174.700 -0.054 0.000 0.993 131 T CA -2.135 59.902 62.100 -0.105 0.000 0.970 131 T CB 2.520 71.273 68.868 -0.193 0.000 0.950 131 T HN 0.982 9.053 8.240 -0.104 0.106 0.441 132 N N 3.818 122.503 118.700 -0.026 0.000 2.314 132 N HA 0.320 5.180 4.740 0.011 -0.113 0.294 132 N C -0.806 174.726 175.510 0.037 0.000 1.029 132 N CA -1.036 52.020 53.050 0.009 0.000 0.845 132 N CB 2.427 40.924 38.487 0.016 0.000 1.321 132 N HN -0.017 8.343 8.380 -0.034 0.000 0.481 133 R N -0.901 119.634 120.500 0.059 0.000 3.305 133 R HA -0.448 3.995 4.340 0.088 -0.050 0.268 133 R C -2.021 174.339 176.300 0.099 0.000 1.087 133 R CA 0.843 56.999 56.100 0.093 0.000 0.725 133 R CB -2.635 27.750 30.300 0.142 0.000 1.233 133 R HN 0.461 8.649 8.270 0.049 0.111 0.416 134 M N -1.714 117.941 119.600 0.092 0.000 2.264 134 M HA 0.402 5.064 4.480 0.119 -0.111 0.352 134 M C -0.769 175.613 176.300 0.137 0.000 1.173 134 M CA -1.063 54.311 55.300 0.124 0.000 1.075 134 M CB 2.439 35.133 32.600 0.157 0.000 1.621 134 M HN -0.554 7.783 8.290 0.078 0.000 0.457 135 I N 3.202 123.858 120.570 0.144 0.000 2.359 135 I HA 0.366 4.597 4.170 0.102 0.000 0.294 135 I C -2.748 173.415 176.117 0.077 0.000 0.987 135 I CA -1.700 59.674 61.300 0.124 0.000 1.225 135 I CB 2.370 40.462 38.000 0.155 0.000 1.366 135 I HN 0.907 9.106 8.210 0.154 0.103 0.466 136 R N 9.509 130.013 120.500 0.007 0.000 2.561 136 R HA 0.938 5.262 4.340 -0.398 -0.223 0.297 136 R C -1.873 174.364 176.300 -0.105 0.000 0.969 136 R CA -2.513 53.467 56.100 -0.201 0.000 0.879 136 R CB 4.014 34.166 30.300 -0.246 0.000 1.178 136 R HN 0.873 9.163 8.270 0.035 0.000 0.445 137 Y N 1.908 122.121 120.300 -0.145 0.000 2.376 137 Y HA 0.487 4.983 4.550 -0.090 0.000 0.340 137 Y C -1.967 173.887 175.900 -0.076 0.000 0.965 137 Y CA -3.233 54.811 58.100 -0.093 0.000 1.078 137 Y CB 2.649 41.065 38.460 -0.073 0.000 1.193 137 Y HN 0.194 7.947 8.280 -0.878 0.000 0.452 138 D N 5.144 125.586 120.400 0.071 0.000 2.402 138 D HA 0.220 5.066 4.640 -0.073 -0.251 0.235 138 D C -1.443 174.964 176.300 0.179 0.000 1.226 138 D CA -0.269 53.750 54.000 0.030 0.000 0.918 138 D CB -0.315 40.491 40.800 0.009 0.000 1.043 138 D HN 0.341 8.767 8.370 0.093 0.000 0.506 139 Y N 5.474 125.787 120.300 0.022 0.000 2.348 139 Y HA 0.079 4.655 4.550 0.042 0.000 0.321 139 Y C -2.571 173.350 175.900 0.035 0.000 1.163 139 Y CA -0.446 57.697 58.100 0.071 0.000 1.070 139 Y CB 3.284 41.858 38.460 0.189 0.000 1.250 139 Y HN 0.048 8.270 8.280 0.063 0.096 0.425 140 A N 8.578 131.055 122.820 -0.571 0.000 2.535 140 A HA -0.049 4.211 4.320 -0.289 -0.114 0.290 140 A C -1.048 176.087 177.584 -0.748 0.000 1.270 140 A CA 0.529 52.262 52.037 -0.508 0.000 0.937 140 A CB -0.714 18.080 19.000 -0.344 0.000 1.096 140 A HN 0.304 8.186 8.150 -0.447 0.000 0.534 141 T N 3.611 117.953 114.554 -0.354 0.000 2.895 141 T HA 0.103 4.320 4.350 -0.221 0.000 0.283 141 T C -0.478 174.198 174.700 -0.040 0.000 1.014 141 T CA -1.293 60.727 62.100 -0.134 0.000 1.037 141 T CB 1.897 70.866 68.868 0.169 0.000 1.006 141 T HN 0.405 8.520 8.240 -0.208 0.000 0.468 142 K N 6.921 127.327 120.400 0.010 0.000 2.183 142 K HA 0.042 4.382 4.320 0.033 0.000 0.272 142 K C -0.377 176.273 176.600 0.083 0.000 1.113 142 K CA -0.923 55.394 56.287 0.049 0.000 0.949 142 K CB -0.421 32.127 32.500 0.080 0.000 1.365 142 K HN 0.242 8.510 8.250 0.030 0.000 0.420 143 T N 3.372 117.984 114.554 0.097 0.000 2.939 143 T HA -0.431 4.028 4.350 0.181 0.000 0.312 143 T C 1.008 175.807 174.700 0.164 0.000 1.064 143 T CA 1.814 64.000 62.100 0.144 0.000 1.136 143 T CB 0.304 69.253 68.868 0.134 0.000 1.035 143 T HN -0.254 8.031 8.240 0.076 0.000 0.538 144 G N 5.697 114.601 108.800 0.172 0.000 2.870 144 G HA2 -0.145 3.979 3.960 0.273 0.000 0.216 144 G HA3 -0.145 4.013 3.960 0.330 0.000 0.216 144 G C -0.213 174.761 174.900 0.122 0.000 0.973 144 G CA 0.259 45.501 45.100 0.235 0.000 0.807 144 G HN 0.664 9.077 8.290 0.204 0.000 0.573 145 Q N 1.682 121.410 119.800 -0.120 0.000 2.412 145 Q HA 0.216 4.332 4.340 -0.373 0.000 0.298 145 Q C -0.797 175.182 176.000 -0.034 0.000 0.938 145 Q CA -2.010 53.608 55.803 -0.308 0.000 0.968 145 Q CB -1.904 26.447 28.738 -0.646 0.000 1.187 145 Q HN 0.042 8.261 8.270 -0.086 0.000 0.421 146 C N 0.968 120.238 119.300 -0.049 0.000 2.648 146 C HA -0.359 4.306 4.460 0.069 -0.164 0.406 146 C C 1.146 176.009 174.990 -0.211 0.000 1.406 146 C CA 2.191 61.074 59.018 -0.224 0.000 1.610 146 C CB -1.036 26.255 27.740 -0.749 0.000 2.451 146 C HN -0.441 7.656 8.230 -0.059 0.098 0.608 147 G N 6.183 114.970 108.800 -0.022 0.000 2.179 147 G HA2 -0.357 3.622 3.960 0.032 0.000 0.220 147 G HA3 -0.357 3.736 3.960 0.045 -0.105 0.220 147 G C -0.474 174.478 174.900 0.087 0.000 0.990 147 G CA -0.134 44.987 45.100 0.035 0.000 0.646 147 G HN 1.128 9.345 8.290 0.063 0.110 0.517 148 G N 0.351 109.206 108.800 0.091 0.000 2.299 148 G HA2 -0.151 3.934 3.960 0.042 0.000 0.256 148 G HA3 -0.151 3.845 3.960 -0.007 -0.041 0.256 148 G C -0.829 174.133 174.900 0.104 0.000 1.259 148 G CA 0.110 45.245 45.100 0.058 0.000 0.943 148 G HN -0.161 8.127 8.290 0.103 0.064 0.479 149 V N 7.785 127.747 119.914 0.080 0.000 2.403 149 V HA -0.188 3.994 4.120 0.103 0.000 0.265 149 V C -0.861 175.300 176.094 0.111 0.000 1.034 149 V CA 1.273 63.627 62.300 0.090 0.000 1.036 149 V CB -0.333 31.524 31.823 0.056 0.000 1.032 149 V HN 0.685 8.913 8.190 0.064 0.000 0.478 150 L N 9.951 131.270 121.223 0.161 0.000 2.312 150 L HA 0.526 5.100 4.340 0.099 -0.174 0.287 150 L C -1.532 175.532 176.870 0.323 0.000 1.091 150 L CA -0.438 54.513 54.840 0.186 0.000 0.846 150 L CB 0.124 42.310 42.059 0.212 0.000 1.219 150 L HN 0.372 8.709 8.230 0.178 0.000 0.439 151 C N 6.187 125.665 119.300 0.296 0.000 3.323 151 C HA 1.057 5.856 4.460 0.346 -0.132 0.324 151 C C -2.282 172.899 174.990 0.317 0.000 1.428 151 C CA -2.654 56.556 59.018 0.319 0.000 1.368 151 C CB 4.751 32.639 27.740 0.247 0.000 1.731 151 C HN 1.088 9.430 8.230 0.187 0.000 0.455 152 A N -1.830 121.099 122.820 0.181 0.000 2.533 152 A HA 0.435 4.825 4.320 0.116 0.000 0.293 152 A C -2.188 175.245 177.584 -0.252 0.000 1.228 152 A CA -1.470 50.618 52.037 0.085 0.000 0.689 152 A CB 2.398 21.525 19.000 0.212 0.000 1.303 152 A HN 0.749 8.906 8.150 0.012 0.000 0.444 153 T N 2.452 116.830 114.554 -0.293 0.000 2.734 153 T HA -0.337 3.465 4.350 -0.914 0.000 0.269 153 T C 1.117 175.339 174.700 -0.796 0.000 0.964 153 T CA 2.791 64.529 62.100 -0.603 0.000 1.226 153 T CB -1.862 66.871 68.868 -0.225 0.000 0.910 153 T HN 0.227 8.393 8.240 -0.123 0.000 0.534 154 G N 6.294 114.111 108.800 -1.638 0.000 2.176 154 G HA2 -0.516 3.118 3.960 -0.543 0.000 0.252 154 G HA3 -0.516 3.309 3.960 -0.225 0.000 0.252 154 G C -1.968 172.755 174.900 -0.294 0.000 1.024 154 G CA 0.277 44.989 45.100 -0.646 0.000 0.755 154 G HN 0.235 6.262 8.290 -3.771 0.000 0.507 155 K N -1.845 118.287 120.400 -0.446 0.000 2.668 155 K HA 0.518 4.818 4.320 -0.331 -0.179 0.246 155 K C -1.643 174.677 176.600 -0.466 0.000 0.976 155 K CA -1.405 54.611 56.287 -0.452 0.000 0.902 155 K CB 2.524 34.637 32.500 -0.645 0.000 1.172 155 K HN -0.317 7.424 8.250 -0.671 0.106 0.452 156 I N 3.945 124.357 120.570 -0.264 0.000 2.312 156 I HA 0.054 4.188 4.170 -0.059 0.000 0.291 156 I C 0.412 176.395 176.117 -0.222 0.000 1.031 156 I CA -0.350 60.869 61.300 -0.136 0.000 1.293 156 I CB -0.188 37.815 38.000 0.005 0.000 1.403 156 I HN 0.910 8.915 8.210 -0.154 0.113 0.484 157 F N 6.201 126.201 119.950 0.085 0.000 2.446 157 F HA 0.543 5.328 4.527 0.090 -0.204 0.292 157 F C 0.911 176.787 175.800 0.126 0.000 1.096 157 F CA 0.599 58.654 58.000 0.093 0.000 1.438 157 F CB 1.920 40.964 39.000 0.073 0.000 1.107 157 F HN 0.696 9.106 8.300 0.184 0.000 0.546 158 G N -4.212 104.769 108.800 0.302 0.000 2.368 158 G HA2 0.109 4.202 3.960 0.222 0.000 0.269 158 G HA3 0.109 4.464 3.960 0.254 -0.243 0.269 158 G C -3.285 171.742 174.900 0.212 0.000 1.291 158 G CA 0.312 45.558 45.100 0.244 0.000 0.903 158 G HN -0.667 7.803 8.290 0.300 0.000 0.483 159 I N -5.336 115.349 120.570 0.192 0.000 2.647 159 I HA 0.823 5.264 4.170 0.192 -0.156 0.295 159 I C -1.967 174.273 176.117 0.206 0.000 1.078 159 I CA -2.381 59.026 61.300 0.179 0.000 1.048 159 I CB 3.990 42.064 38.000 0.124 0.000 1.239 159 I HN -0.365 7.956 8.210 0.186 0.000 0.421 160 H N 6.474 125.620 119.070 0.127 0.000 3.145 160 H HA 0.047 4.843 4.556 0.174 -0.136 0.263 160 H C 0.514 175.887 175.328 0.074 0.000 1.057 160 H CA 0.746 56.874 56.048 0.133 0.000 1.477 160 H CB -0.061 29.786 29.762 0.142 0.000 1.529 160 H HN 0.811 9.160 8.280 0.304 0.113 0.508 161 V N 5.566 125.468 119.914 -0.020 0.000 2.535 161 V HA 0.017 4.155 4.120 0.030 0.000 0.246 161 V C -0.791 175.320 176.094 0.029 0.000 1.045 161 V CA 0.864 63.170 62.300 0.011 0.000 1.058 161 V CB 0.931 32.767 31.823 0.022 0.000 0.689 161 V HN -0.384 7.773 8.190 -0.055 0.000 0.461 162 G N -3.163 105.525 108.800 -0.187 0.000 3.288 162 G HA2 -0.012 3.952 3.960 0.007 0.000 0.285 162 G HA3 -0.012 3.919 3.960 -0.049 0.000 0.285 162 G C -1.473 173.330 174.900 -0.162 0.000 3.680 162 G CA 0.492 45.524 45.100 -0.113 0.000 0.508 162 G HN -0.731 7.348 8.290 -0.352 0.000 0.300 163 G N 1.079 109.681 108.800 -0.329 0.000 2.437 163 G HA2 0.386 4.494 3.960 0.117 0.000 0.319 163 G HA3 0.386 4.286 3.960 -0.100 0.000 0.319 163 G C -2.634 172.335 174.900 0.115 0.000 1.158 163 G CA -1.753 43.309 45.100 -0.062 0.000 0.899 163 G HN -0.118 7.875 8.290 -0.496 0.000 0.502 164 N N 1.384 120.137 118.700 0.089 0.000 2.371 164 N HA 0.136 4.921 4.740 0.075 0.000 0.280 164 N C 0.055 175.572 175.510 0.011 0.000 1.084 164 N CA -0.218 52.873 53.050 0.069 0.000 0.892 164 N CB 3.419 41.954 38.487 0.079 0.000 1.653 164 N HN 0.248 8.653 8.380 0.043 0.000 0.480 165 G N 4.299 113.093 108.800 -0.009 0.000 2.556 165 G HA2 -0.479 3.452 3.960 -0.049 0.000 0.283 165 G HA3 -0.479 3.460 3.960 -0.036 0.000 0.283 165 G C -0.368 174.472 174.900 -0.100 0.000 1.177 165 G CA 0.803 45.874 45.100 -0.048 0.000 0.978 165 G HN 0.385 8.679 8.290 0.008 0.000 0.554 166 R N 3.962 124.397 120.500 -0.109 0.000 2.320 166 R HA -0.099 4.282 4.340 -0.155 -0.133 0.211 166 R C -0.912 175.276 176.300 -0.186 0.000 0.931 166 R CA 0.359 56.380 56.100 -0.131 0.000 1.071 166 R CB -0.325 29.919 30.300 -0.093 0.000 1.025 166 R HN 0.327 8.547 8.270 -0.083 0.000 0.495 167 Q N -0.524 119.114 119.800 -0.270 0.000 2.413 167 Q HA 0.346 4.491 4.340 -0.550 -0.135 0.258 167 Q C -0.987 174.577 176.000 -0.726 0.000 1.037 167 Q CA -1.283 54.172 55.803 -0.579 0.000 0.764 167 Q CB 1.829 30.120 28.738 -0.744 0.000 1.217 167 Q HN -0.599 7.465 8.270 -0.193 0.090 0.490 168 G N 2.158 110.449 108.800 -0.848 0.000 2.391 168 G HA2 0.244 3.962 3.960 -0.403 0.000 0.305 168 G HA3 0.244 3.262 3.960 -1.569 0.000 0.305 168 G C -2.204 172.032 174.900 -1.107 0.000 1.072 168 G CA -0.629 43.882 45.100 -0.983 0.000 1.016 168 G HN 0.471 8.279 8.290 -0.804 0.000 0.418 169 F N 6.928 126.563 119.950 -0.525 0.000 2.404 169 F HA 0.398 4.873 4.527 -0.309 -0.133 0.358 169 F C -0.924 174.689 175.800 -0.313 0.000 1.120 169 F CA -0.487 57.294 58.000 -0.366 0.000 1.144 169 F CB 0.897 39.736 39.000 -0.268 0.000 1.133 169 F HN -0.308 7.764 8.300 -0.380 0.000 0.495 170 S N 3.203 118.942 115.700 0.065 0.000 2.566 170 S HA 0.611 5.333 4.470 0.093 -0.197 0.298 170 S C -1.673 173.011 174.600 0.140 0.000 1.083 170 S CA -2.316 55.968 58.200 0.141 0.000 0.978 170 S CB 2.840 66.218 63.200 0.297 0.000 1.073 170 S HN 0.643 8.995 8.310 0.070 0.000 0.491 171 A N 3.350 126.245 122.820 0.125 0.000 2.310 171 A HA 0.331 4.710 4.320 0.098 0.000 0.299 171 A C -1.424 176.257 177.584 0.161 0.000 1.147 171 A CA -1.574 50.528 52.037 0.109 0.000 0.818 171 A CB 1.569 20.603 19.000 0.057 0.000 1.096 171 A HN 0.914 9.139 8.150 0.126 0.000 0.495 172 Q N 1.954 121.858 119.800 0.173 0.000 2.344 172 Q HA -0.016 4.465 4.340 0.234 0.000 0.253 172 Q C -0.324 175.850 176.000 0.289 0.000 1.050 172 Q CA -0.640 55.299 55.803 0.225 0.000 0.912 172 Q CB 0.179 29.042 28.738 0.208 0.000 1.258 172 Q HN -0.024 8.335 8.270 0.148 0.000 0.443 173 L N 7.899 129.308 121.223 0.309 0.000 2.375 173 L HA 0.005 4.628 4.340 0.472 0.000 0.276 173 L C -1.295 175.836 176.870 0.436 0.000 1.162 173 L CA -0.561 54.543 54.840 0.439 0.000 0.991 173 L CB -1.514 40.816 42.059 0.453 0.000 1.315 173 L HN -0.273 8.126 8.230 0.281 0.000 0.431 174 K N 1.390 122.030 120.400 0.400 0.000 2.098 174 K HA 0.064 4.501 4.320 0.194 0.000 0.261 174 K C 1.071 177.820 176.600 0.248 0.000 0.987 174 K CA -0.874 55.540 56.287 0.211 0.000 0.916 174 K CB 0.954 33.465 32.500 0.018 0.000 1.039 174 K HN -0.559 7.975 8.250 0.514 0.024 0.455 175 K N 2.539 123.054 120.400 0.192 0.000 2.209 175 K HA -0.419 4.191 4.320 0.484 0.000 0.204 175 K C 2.509 179.186 176.600 0.129 0.000 1.048 175 K CA 3.516 59.952 56.287 0.247 0.000 0.940 175 K CB -0.352 32.226 32.500 0.130 0.000 0.729 175 K HN -0.007 8.537 8.250 0.122 -0.221 0.451 176 Q N 0.535 120.297 119.800 -0.064 0.000 2.152 176 Q HA -0.269 4.004 4.340 -0.112 0.000 0.206 176 Q C 2.838 178.695 176.000 -0.238 0.000 0.985 176 Q CA 2.686 58.369 55.803 -0.199 0.000 0.863 176 Q CB -0.761 27.761 28.738 -0.361 0.000 0.904 176 Q HN 0.262 8.454 8.270 -0.078 0.031 0.422 177 Y N -3.897 116.260 120.300 -0.237 0.000 2.516 177 Y HA -0.211 4.131 4.550 -0.347 0.000 0.291 177 Y C 0.560 176.081 175.900 -0.631 0.000 1.131 177 Y CA 1.996 59.787 58.100 -0.515 0.000 1.281 177 Y CB 0.136 38.124 38.460 -0.787 0.000 1.013 177 Y HN -0.555 7.525 8.280 -0.289 0.026 0.554 178 F N -4.759 115.279 119.950 0.146 0.000 2.653 178 F HA 0.089 4.687 4.527 0.119 0.000 0.304 178 F C -0.752 175.130 175.800 0.136 0.000 1.092 178 F CA -0.370 57.721 58.000 0.152 0.000 1.279 178 F CB 0.758 39.877 39.000 0.199 0.000 1.044 178 F HN -0.493 7.658 8.300 0.064 0.187 0.564 179 V N 1.786 121.787 119.914 0.146 0.000 2.421 179 V HA -0.219 3.954 4.120 0.089 0.000 0.271 179 V C 0.259 176.388 176.094 0.059 0.000 1.031 179 V CA 0.960 63.307 62.300 0.078 0.000 1.032 179 V CB -0.027 31.805 31.823 0.015 0.000 1.009 179 V HN -0.871 7.189 8.190 0.068 0.171 0.477 180 E N 8.559 128.804 120.200 0.075 0.000 2.023 180 E HA -0.267 4.135 4.350 0.087 0.000 0.196 180 E C 0.263 176.882 176.600 0.032 0.000 1.003 180 E CA 1.865 58.308 56.400 0.072 0.000 0.809 180 E CB 0.003 29.752 29.700 0.081 0.000 0.755 180 E HN 0.331 8.730 8.360 0.065 0.000 0.449 181 K N 0.342 120.755 120.400 0.021 0.000 2.376 181 K HA 0.214 4.541 4.320 0.013 0.000 0.257 181 K C -0.839 175.763 176.600 0.003 0.000 0.939 181 K CA -0.393 55.902 56.287 0.013 0.000 0.809 181 K CB 0.066 32.575 32.500 0.016 0.000 1.121 181 K HN -0.337 7.924 8.250 0.018 0.000 0.425 182 Q N 0.000 119.798 119.800 -0.003 0.000 2.315 182 Q HA 0.000 4.334 4.340 -0.010 0.000 0.214 182 Q CA 0.000 55.798 55.803 -0.009 0.000 1.022 182 Q CB 0.000 28.727 28.738 -0.019 0.000 1.108 182 Q HN 0.000 8.269 8.270 -0.001 0.000 0.481