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 1oy2_1_A DATA FIRST_RESID 17 DATA SEQUENCE GQLGGEEWTR HGSFVNKPTR GWLHPNDKVM GPGVSYLVRY MGCVEVLQSM DATA SEQUENCE RALDFNTRTQ VTREAISLVC EAVPGAKGAT RRRKPCSRPL SSILGRSNLK DATA SEQUENCE FAGMPITLTV STSSLNLMAA DCKQIIANHH MQSISFASGG DPDTAEYVAY DATA SEQUENCE VAKDPVNQRA CHILECPEGL AQDVISTIGQ AFELRFKQYL R 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.950 3.960 -0.017 0.000 0.244 17 G C 0.000 174.890 174.900 -0.017 0.000 0.946 17 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 18 Q N -1.412 118.379 119.800 -0.015 0.000 3.217 18 Q HA -0.219 4.113 4.340 -0.012 0.000 0.025 18 Q C -1.642 174.351 176.000 -0.011 0.000 1.708 18 Q CA 0.008 55.802 55.803 -0.015 0.000 0.234 18 Q CB 0.426 29.149 28.738 -0.024 0.000 0.989 18 Q HN -0.013 8.250 8.270 -0.012 0.000 0.321 19 L N 1.619 122.837 121.223 -0.008 0.000 2.404 19 L HA 0.156 4.496 4.340 0.000 0.000 0.272 19 L C 0.289 177.160 176.870 0.002 0.000 0.980 19 L CA 0.361 55.200 54.840 -0.001 0.000 0.836 19 L CB -0.201 41.860 42.059 0.003 0.000 1.238 19 L HN 0.223 8.447 8.230 -0.009 0.000 0.408 20 G N 3.527 112.332 108.800 0.008 0.000 2.730 20 G HA2 -0.240 3.744 3.960 0.040 0.000 0.686 20 G HA3 -0.240 3.732 3.960 0.020 0.000 0.686 20 G C -1.228 173.672 174.900 0.001 0.000 1.343 20 G CA -0.809 44.302 45.100 0.019 0.000 0.826 20 G HN 0.046 8.341 8.290 0.009 0.000 0.582 21 G N -1.341 107.468 108.800 0.016 0.000 2.866 21 G HA2 0.729 4.661 3.960 -0.046 0.000 0.289 21 G HA3 0.729 4.649 3.960 -0.066 0.000 0.289 21 G C -1.094 173.811 174.900 0.008 0.000 1.396 21 G CA 0.499 45.585 45.100 -0.024 0.000 0.848 21 G HN 0.488 8.813 8.290 0.057 0.000 0.515 22 E N -1.467 118.715 120.200 -0.030 0.000 3.601 22 E HA 0.001 4.392 4.350 0.067 0.000 0.142 22 E C -1.048 175.534 176.600 -0.029 0.000 0.966 22 E CA 0.110 56.510 56.400 -0.001 0.000 1.527 22 E CB 1.094 30.777 29.700 -0.028 0.000 1.089 22 E HN 0.293 8.603 8.360 -0.082 0.000 0.383 23 E N 0.044 120.188 120.200 -0.094 0.000 2.496 23 E HA 0.108 4.414 4.350 -0.073 0.000 0.202 23 E C -0.984 175.550 176.600 -0.110 0.000 1.021 23 E CA -0.324 55.999 56.400 -0.128 0.000 1.015 23 E CB 0.439 30.016 29.700 -0.205 0.000 1.102 23 E HN -0.028 8.239 8.360 -0.155 0.000 0.452 24 W N 0.117 121.405 121.300 -0.020 0.000 2.497 24 W HA 0.181 4.849 4.660 0.013 0.000 0.359 24 W C -0.307 176.217 176.519 0.008 0.000 1.131 24 W CA -1.176 56.173 57.345 0.008 0.000 1.280 24 W CB 1.232 30.717 29.460 0.041 0.000 1.319 24 W HN -0.423 7.780 8.180 0.183 0.086 0.626 25 T N -1.407 113.368 114.554 0.369 0.000 3.905 25 T HA 0.264 4.717 4.350 0.172 0.000 0.227 25 T C -0.632 174.182 174.700 0.190 0.000 1.055 25 T CA -0.256 61.970 62.100 0.210 0.000 1.607 25 T CB 1.035 69.988 68.868 0.141 0.000 0.781 25 T HN -0.371 8.175 8.240 0.510 0.000 0.639 26 R N 1.119 121.747 120.500 0.213 0.000 2.642 26 R HA 0.154 4.541 4.340 0.079 0.000 0.435 26 R C -0.894 175.448 176.300 0.071 0.000 1.046 26 R CA -0.302 55.855 56.100 0.094 0.000 1.103 26 R CB 0.580 30.862 30.300 -0.030 0.000 1.425 26 R HN 0.356 8.819 8.270 0.321 0.000 0.586 27 H N -1.155 117.908 119.070 -0.011 0.000 2.559 27 H HA 0.146 4.676 4.556 -0.042 0.000 0.343 27 H C 0.591 175.921 175.328 0.003 0.000 1.209 27 H CA -0.541 55.496 56.048 -0.018 0.000 1.287 27 H CB 1.596 31.351 29.762 -0.013 0.000 1.650 27 H HN -0.339 8.128 8.280 0.311 0.000 0.567 28 G N 0.029 108.886 108.800 0.095 0.000 2.588 28 G HA2 0.086 4.082 3.960 0.060 0.000 0.278 28 G HA3 0.086 4.070 3.960 0.041 0.000 0.278 28 G C -0.665 174.301 174.900 0.109 0.000 1.307 28 G CA -0.462 44.681 45.100 0.071 0.000 1.016 28 G HN 0.059 8.383 8.290 0.057 0.000 0.503 29 S N -1.170 114.600 115.700 0.117 0.000 2.552 29 S HA 0.032 4.647 4.470 0.241 0.000 0.271 29 S C 0.337 175.072 174.600 0.225 0.000 1.168 29 S CA -0.246 58.074 58.200 0.200 0.000 1.026 29 S CB 1.089 64.394 63.200 0.177 0.000 1.120 29 S HN -0.212 8.153 8.310 0.092 0.000 0.514 30 F N 0.377 120.348 119.950 0.036 0.000 2.426 30 F HA -0.031 4.518 4.527 0.035 0.000 0.309 30 F C 2.111 177.927 175.800 0.027 0.000 1.246 30 F CA -0.031 57.989 58.000 0.033 0.000 1.229 30 F CB 0.222 39.241 39.000 0.032 0.000 1.255 30 F HN 0.003 8.640 8.300 0.562 0.000 0.558 31 V N -0.935 119.078 119.914 0.166 0.000 2.231 31 V HA -0.275 3.878 4.120 0.054 0.000 0.250 31 V C -0.354 175.803 176.094 0.106 0.000 1.058 31 V CA 2.357 64.715 62.300 0.096 0.000 1.022 31 V CB -0.555 31.312 31.823 0.073 0.000 0.640 31 V HN 0.088 8.364 8.190 0.143 0.000 0.445 32 N N -2.526 116.252 118.700 0.129 0.000 3.804 32 N HA -0.039 4.754 4.740 0.089 0.000 0.127 32 N C -1.820 173.735 175.510 0.075 0.000 1.217 32 N CA -0.118 52.985 53.050 0.089 0.000 1.795 32 N CB -0.573 37.949 38.487 0.058 0.000 1.663 32 N HN -0.205 8.278 8.380 0.172 0.000 0.723 33 K N 0.765 121.213 120.400 0.078 0.000 2.525 33 K HA 0.377 4.713 4.320 0.027 0.000 0.254 33 K C -2.672 173.917 176.600 -0.018 0.000 0.934 33 K CA -1.694 54.614 56.287 0.035 0.000 0.802 33 K CB 1.626 34.158 32.500 0.053 0.000 1.295 33 K HN -0.296 8.018 8.250 0.106 0.000 0.433 34 P HA 0.195 4.584 4.420 -0.052 0.000 0.277 34 P C -1.137 176.113 177.300 -0.083 0.000 1.271 34 P CA -0.060 63.011 63.100 -0.049 0.000 0.795 34 P CB 0.711 32.396 31.700 -0.025 0.000 1.101 35 T N -2.000 112.503 114.554 -0.085 0.000 2.733 35 T HA 0.083 4.380 4.350 -0.089 0.000 0.312 35 T C -2.236 172.428 174.700 -0.059 0.000 1.590 35 T CA -0.627 61.416 62.100 -0.096 0.000 1.005 35 T CB 0.831 69.603 68.868 -0.161 0.000 1.528 35 T HN -0.186 8.016 8.240 -0.063 0.000 0.496 36 R N 1.191 121.657 120.500 -0.057 0.000 2.533 36 R HA 0.655 5.109 4.340 0.002 -0.112 0.288 36 R C -1.543 174.750 176.300 -0.013 0.000 1.039 36 R CA -1.063 55.020 56.100 -0.028 0.000 0.909 36 R CB 2.053 32.324 30.300 -0.048 0.000 1.195 36 R HN 0.119 8.342 8.270 -0.078 0.000 0.438 37 G N 0.653 109.479 108.800 0.043 0.000 3.234 37 G HA2 0.232 4.381 3.960 0.099 0.000 0.159 37 G HA3 0.232 4.461 3.960 0.151 -0.178 0.159 37 G C -2.103 172.880 174.900 0.138 0.000 1.175 37 G CA -1.576 43.590 45.100 0.110 0.000 0.900 37 G HN 0.381 8.516 8.290 0.058 0.190 0.621 38 W N 0.973 122.305 121.300 0.052 0.000 2.223 38 W HA -0.205 4.482 4.660 0.044 0.000 0.334 38 W C 0.974 177.533 176.519 0.066 0.000 1.334 38 W CA 2.016 59.396 57.345 0.059 0.000 1.246 38 W CB 0.589 30.099 29.460 0.083 0.000 1.184 38 W HN -0.015 8.405 8.180 0.396 -0.003 0.563 39 L N 2.260 123.427 121.223 -0.092 0.000 3.412 39 L HA -0.648 3.822 4.340 -0.105 -0.193 0.253 39 L C -1.105 175.707 176.870 -0.097 0.000 4.367 39 L CA 2.673 57.539 54.840 0.045 0.000 0.793 39 L CB -0.997 41.303 42.059 0.401 0.000 3.488 39 L HN 0.726 8.592 8.230 -0.606 0.000 0.786 40 H N -5.968 113.152 119.070 0.082 0.000 4.318 40 H HA 0.261 4.824 4.556 0.011 0.000 0.111 40 H C -2.428 172.927 175.328 0.045 0.000 1.240 40 H CA 1.148 57.222 56.048 0.044 0.000 0.981 40 H CB 0.557 30.347 29.762 0.047 0.000 1.138 40 H HN 0.386 8.745 8.280 0.250 0.071 0.180 41 P HA 0.379 4.841 4.420 0.071 0.000 0.297 41 P C -0.494 176.869 177.300 0.105 0.000 1.307 41 P CA -1.269 61.895 63.100 0.107 0.000 0.773 41 P CB 1.878 33.630 31.700 0.086 0.000 1.265 42 N N -1.868 116.867 118.700 0.058 0.000 2.387 42 N HA -0.142 4.665 4.740 0.111 0.000 0.176 42 N C 1.609 177.163 175.510 0.073 0.000 1.022 42 N CA 2.977 56.068 53.050 0.067 0.000 0.883 42 N CB -0.090 38.404 38.487 0.011 0.000 1.019 42 N HN 0.232 8.624 8.380 0.020 0.000 0.435 43 D N -1.204 119.229 120.400 0.056 0.000 2.218 43 D HA -0.310 4.369 4.640 0.065 0.000 0.204 43 D C 1.601 177.940 176.300 0.066 0.000 0.976 43 D CA 3.118 57.155 54.000 0.061 0.000 0.853 43 D CB -0.071 40.763 40.800 0.056 0.000 0.939 43 D HN 0.204 8.597 8.370 0.037 0.000 0.481 44 K N -1.851 118.600 120.400 0.085 0.000 2.211 44 K HA -0.232 4.131 4.320 0.072 0.000 0.204 44 K C 1.692 178.337 176.600 0.075 0.000 1.047 44 K CA 2.408 58.751 56.287 0.094 0.000 0.935 44 K CB -0.556 32.035 32.500 0.151 0.000 0.728 44 K HN -0.068 8.205 8.250 0.095 0.034 0.452 45 V N -6.416 113.543 119.914 0.076 0.000 2.672 45 V HA 0.114 4.226 4.120 -0.013 0.000 0.242 45 V C 2.022 178.121 176.094 0.008 0.000 1.059 45 V CA 2.092 64.407 62.300 0.024 0.000 1.081 45 V CB 0.467 32.310 31.823 0.035 0.000 0.752 45 V HN -0.519 7.584 8.190 0.095 0.144 0.472 46 M N -1.441 118.179 119.600 0.033 0.000 2.659 46 M HA 0.089 4.577 4.480 0.013 0.000 0.243 46 M C 0.557 176.872 176.300 0.025 0.000 1.111 46 M CA 1.911 57.228 55.300 0.029 0.000 1.070 46 M CB -0.280 32.351 32.600 0.052 0.000 1.525 46 M HN -0.469 7.853 8.290 0.053 0.000 0.517 47 G N 0.090 108.904 108.800 0.023 0.000 2.482 47 G HA2 0.311 4.283 3.960 0.021 0.000 0.184 47 G HA3 0.311 4.289 3.960 0.031 0.000 0.184 47 G C -1.183 173.719 174.900 0.003 0.000 1.331 47 G CA 0.421 45.533 45.100 0.020 0.000 0.668 47 G HN -0.269 7.954 8.290 0.024 0.082 0.631 48 P HA 0.052 4.460 4.420 -0.020 0.000 0.220 48 P C -0.201 177.073 177.300 -0.042 0.000 1.154 48 P CA -0.265 62.825 63.100 -0.016 0.000 0.837 48 P CB 1.087 32.784 31.700 -0.004 0.000 0.815 49 G N -0.621 108.158 108.800 -0.036 0.000 2.854 49 G HA2 -0.363 3.654 3.960 -0.071 0.000 0.686 49 G HA3 -0.363 3.541 3.960 -0.094 0.000 0.686 49 G C -0.940 173.900 174.900 -0.100 0.000 1.202 49 G CA -0.320 44.736 45.100 -0.074 0.000 0.878 49 G HN -0.037 8.142 8.290 -0.008 0.107 0.583 50 V N -1.614 118.245 119.914 -0.091 0.000 2.405 50 V HA 0.161 4.188 4.120 -0.155 0.000 0.264 50 V C -1.122 174.776 176.094 -0.325 0.000 1.048 50 V CA 0.142 62.387 62.300 -0.091 0.000 0.966 50 V CB 0.335 32.357 31.823 0.332 0.000 1.015 50 V HN -0.350 7.772 8.190 -0.113 0.000 0.477 51 S N 6.080 121.321 115.700 -0.765 0.000 2.532 51 S HA 0.860 5.361 4.470 -0.322 -0.224 0.299 51 S C -1.064 172.968 174.600 -0.947 0.000 1.105 51 S CA -1.561 56.276 58.200 -0.605 0.000 1.018 51 S CB 2.314 65.325 63.200 -0.315 0.000 1.021 51 S HN -0.080 7.718 8.310 -0.853 0.000 0.483 52 Y N 1.103 121.410 120.300 0.012 0.000 2.744 52 Y HA 0.123 4.682 4.550 0.014 0.000 0.330 52 Y C -1.988 173.914 175.900 0.004 0.000 1.263 52 Y CA -1.612 56.498 58.100 0.017 0.000 1.065 52 Y CB 2.285 40.768 38.460 0.038 0.000 1.306 52 Y HN 0.510 8.800 8.280 0.016 0.000 0.459 53 L N 1.439 122.774 121.223 0.186 0.000 2.295 53 L HA 0.244 4.785 4.340 0.067 -0.160 0.288 53 L C -0.259 176.660 176.870 0.082 0.000 1.079 53 L CA 0.193 55.089 54.840 0.094 0.000 0.830 53 L CB -0.044 42.053 42.059 0.063 0.000 1.200 53 L HN 0.451 8.814 8.230 0.221 0.000 0.438 54 V N 0.064 120.019 119.914 0.068 0.000 2.656 54 V HA 0.473 4.612 4.120 0.032 0.000 0.307 54 V C -1.335 174.787 176.094 0.048 0.000 1.051 54 V CA -2.316 60.014 62.300 0.049 0.000 0.893 54 V CB 3.071 34.928 31.823 0.057 0.000 0.999 54 V HN 0.710 8.937 8.190 0.062 0.000 0.426 55 R N 4.499 125.016 120.500 0.029 0.000 2.242 55 R HA 0.227 4.809 4.340 0.064 -0.204 0.334 55 R C -0.857 175.496 176.300 0.087 0.000 1.071 55 R CA -0.619 55.507 56.100 0.044 0.000 0.922 55 R CB 0.541 30.840 30.300 -0.002 0.000 1.023 55 R HN 0.027 8.297 8.270 0.001 0.000 0.458 56 Y N 8.341 128.639 120.300 -0.003 0.000 2.537 56 Y HA -0.097 4.454 4.550 0.002 0.000 0.339 56 Y C -1.755 174.175 175.900 0.049 0.000 1.066 56 Y CA 0.334 58.443 58.100 0.014 0.000 1.357 56 Y CB 0.646 39.114 38.460 0.014 0.000 1.175 56 Y HN 0.618 9.029 8.280 0.219 0.000 0.525 57 M N 7.799 127.179 119.600 -0.367 0.000 2.423 57 M HA 0.317 4.761 4.480 -0.194 -0.080 0.335 57 M C 0.022 176.012 176.300 -0.515 0.000 1.177 57 M CA -2.126 52.999 55.300 -0.292 0.000 1.038 57 M CB 2.559 35.146 32.600 -0.021 0.000 1.641 57 M HN 0.048 8.110 8.290 -0.246 0.081 0.455 58 G N 0.003 108.613 108.800 -0.316 0.000 2.945 58 G HA2 -0.132 3.620 3.960 -0.347 0.000 0.248 58 G HA3 -0.132 3.844 3.960 -0.173 -0.119 0.248 58 G C -0.376 174.393 174.900 -0.218 0.000 1.250 58 G CA 0.292 45.225 45.100 -0.278 0.000 0.886 58 G HN 0.206 8.381 8.290 -0.192 0.000 0.609 59 C N -2.255 116.947 119.300 -0.163 0.000 2.335 59 C HA 0.260 4.827 4.460 0.010 -0.101 0.363 59 C C -0.578 174.407 174.990 -0.008 0.000 1.198 59 C CA -1.627 57.361 59.018 -0.051 0.000 2.279 59 C CB 1.814 29.520 27.740 -0.056 0.000 2.334 59 C HN -0.341 7.892 8.230 -0.174 -0.108 0.559 60 V N -2.921 117.020 119.914 0.045 0.000 2.407 60 V HA 0.333 4.454 4.120 0.002 0.000 0.291 60 V C -1.876 174.240 176.094 0.037 0.000 1.018 60 V CA -2.230 60.086 62.300 0.026 0.000 0.842 60 V CB 1.031 32.869 31.823 0.025 0.000 0.996 60 V HN 0.738 8.867 8.190 0.099 0.120 0.426 61 E N 8.071 128.283 120.200 0.019 0.000 2.217 61 E HA 0.085 4.455 4.350 0.033 0.000 0.279 61 E C -1.135 175.475 176.600 0.017 0.000 1.068 61 E CA -0.373 56.039 56.400 0.021 0.000 0.882 61 E CB 0.360 30.066 29.700 0.010 0.000 1.039 61 E HN 0.022 8.287 8.360 0.006 0.099 0.418 62 V N 5.941 125.868 119.914 0.022 0.000 2.630 62 V HA 0.230 4.357 4.120 0.011 0.000 0.305 62 V C -0.834 175.268 176.094 0.014 0.000 1.046 62 V CA -1.094 61.216 62.300 0.016 0.000 0.934 62 V CB 1.609 33.444 31.823 0.019 0.000 1.003 62 V HN -0.238 7.969 8.190 0.029 0.000 0.451 63 L N 2.124 123.353 121.223 0.010 0.000 2.642 63 L HA 0.152 4.500 4.340 0.012 0.000 0.233 63 L C -0.183 176.694 176.870 0.011 0.000 1.077 63 L CA 0.022 54.868 54.840 0.010 0.000 0.879 63 L CB 0.123 42.186 42.059 0.006 0.000 1.151 63 L HN 0.271 8.505 8.230 0.007 0.000 0.495 64 Q N -2.545 117.261 119.800 0.009 0.000 2.523 64 Q HA -0.215 4.129 4.340 0.008 0.000 0.283 64 Q C -0.289 175.721 176.000 0.016 0.000 1.140 64 Q CA 0.980 56.788 55.803 0.010 0.000 0.981 64 Q CB 0.557 29.300 28.738 0.007 0.000 1.310 64 Q HN -0.627 7.647 8.270 0.007 0.000 0.483 65 S N 0.930 116.642 115.700 0.020 0.000 6.084 65 S HA 0.016 4.501 4.470 0.025 0.000 0.113 65 S C 0.118 174.741 174.600 0.039 0.000 1.162 65 S CA 0.236 58.452 58.200 0.027 0.000 1.406 65 S CB 0.061 63.276 63.200 0.026 0.000 1.969 65 S HN 0.231 8.552 8.310 0.019 0.000 0.555 66 M N 1.625 121.250 119.600 0.041 0.000 3.127 66 M HA 0.097 4.627 4.480 0.083 0.000 0.228 66 M C -0.371 175.962 176.300 0.055 0.000 1.558 66 M CA 0.811 56.148 55.300 0.062 0.000 1.349 66 M CB 1.658 34.291 32.600 0.056 0.000 1.098 66 M HN -0.256 8.052 8.290 0.031 0.000 0.582 67 R N 1.622 122.140 120.500 0.030 0.000 2.824 67 R HA -0.145 4.196 4.340 0.002 0.000 0.240 67 R C -1.232 175.064 176.300 -0.007 0.000 1.548 67 R CA 0.144 56.248 56.100 0.007 0.000 1.119 67 R CB -1.118 29.183 30.300 0.002 0.000 1.189 67 R HN 0.153 8.440 8.270 0.028 0.000 0.596 68 A N 2.987 125.796 122.820 -0.017 0.000 2.793 68 A HA 0.345 4.652 4.320 -0.021 0.000 0.236 68 A C -0.446 177.101 177.584 -0.061 0.000 1.242 68 A CA -1.768 50.254 52.037 -0.026 0.000 0.885 68 A CB 2.413 21.411 19.000 -0.005 0.000 1.436 68 A HN -0.197 7.921 8.150 -0.017 0.022 0.483 69 L N -0.800 120.390 121.223 -0.055 0.000 1.951 69 L HA -0.270 4.029 4.340 -0.068 0.000 0.222 69 L C 0.168 176.959 176.870 -0.131 0.000 1.078 69 L CA 2.059 56.855 54.840 -0.073 0.000 0.778 69 L CB 0.529 42.557 42.059 -0.051 0.000 0.893 69 L HN 0.328 8.537 8.230 -0.036 0.000 0.436 70 D N -4.652 115.660 120.400 -0.147 0.000 2.684 70 D HA 0.027 4.371 4.640 -0.494 0.000 0.233 70 D C -1.233 174.962 176.300 -0.175 0.000 1.374 70 D CA 0.170 53.992 54.000 -0.298 0.000 0.906 70 D CB -0.207 40.455 40.800 -0.230 0.000 1.526 70 D HN -0.686 7.633 8.370 -0.084 0.000 0.518 71 F N -2.583 117.356 119.950 -0.018 0.000 3.093 71 F HA -0.481 4.033 4.527 -0.022 0.000 0.283 71 F C -1.596 174.185 175.800 -0.031 0.000 0.848 71 F CA 1.117 59.103 58.000 -0.023 0.000 1.059 71 F CB -1.633 37.355 39.000 -0.020 0.000 1.191 71 F HN 0.393 8.538 8.300 -0.258 0.000 0.514 72 N N -5.424 113.336 118.700 0.101 0.000 3.171 72 N HA 0.056 4.817 4.740 0.035 0.000 0.239 72 N C -1.894 173.621 175.510 0.009 0.000 1.275 72 N CA -0.614 52.462 53.050 0.043 0.000 0.920 72 N CB 2.465 40.973 38.487 0.036 0.000 1.554 72 N HN -0.629 7.739 8.380 0.055 0.044 0.504 73 T N -3.884 110.670 114.554 -0.001 0.000 4.553 73 T HA 0.161 4.505 4.350 -0.010 0.000 0.321 73 T C 0.143 174.838 174.700 -0.008 0.000 0.893 73 T CA 0.329 62.425 62.100 -0.007 0.000 0.879 73 T CB 1.172 70.037 68.868 -0.005 0.000 1.001 73 T HN 0.170 8.407 8.240 -0.005 0.000 0.439 74 R N 2.282 122.775 120.500 -0.012 0.000 2.070 74 R HA -0.252 4.082 4.340 -0.010 0.000 0.227 74 R C 1.804 178.102 176.300 -0.003 0.000 1.147 74 R CA 4.292 60.386 56.100 -0.011 0.000 0.924 74 R CB -0.637 29.652 30.300 -0.018 0.000 0.827 74 R HN 0.164 8.427 8.270 -0.013 0.000 0.431 75 T N -0.949 113.602 114.554 -0.004 0.000 2.622 75 T HA -0.369 3.983 4.350 0.004 0.000 0.266 75 T C 1.482 176.179 174.700 -0.005 0.000 1.047 75 T CA 4.331 66.430 62.100 -0.001 0.000 1.159 75 T CB -0.756 68.111 68.868 -0.003 0.000 0.863 75 T HN -0.030 8.206 8.240 -0.006 0.000 0.422 76 Q N 0.317 120.112 119.800 -0.009 0.000 1.978 76 Q HA -0.326 4.005 4.340 -0.014 0.000 0.211 76 Q C 2.573 178.565 176.000 -0.012 0.000 1.013 76 Q CA 2.878 58.673 55.803 -0.013 0.000 0.869 76 Q CB -1.283 27.446 28.738 -0.015 0.000 0.953 76 Q HN 0.331 8.596 8.270 -0.009 0.000 0.415 77 V N 0.622 120.531 119.914 -0.009 0.000 2.214 77 V HA -0.512 3.602 4.120 -0.009 0.000 0.247 77 V C 2.183 178.273 176.094 -0.006 0.000 1.051 77 V CA 3.952 66.248 62.300 -0.007 0.000 1.003 77 V CB -0.903 30.919 31.823 -0.001 0.000 0.635 77 V HN -0.565 7.620 8.190 -0.008 0.000 0.447 78 T N 0.866 115.422 114.554 0.002 0.000 2.792 78 T HA -0.513 3.846 4.350 0.016 0.000 0.268 78 T C 2.175 176.868 174.700 -0.010 0.000 1.059 78 T CA 4.394 66.500 62.100 0.009 0.000 1.136 78 T CB -0.736 68.147 68.868 0.024 0.000 0.846 78 T HN -0.386 7.856 8.240 0.004 0.000 0.489 79 R N 1.256 121.746 120.500 -0.017 0.000 2.070 79 R HA -0.310 4.007 4.340 -0.040 0.000 0.232 79 R C 2.168 178.438 176.300 -0.051 0.000 1.138 79 R CA 4.100 60.180 56.100 -0.034 0.000 0.936 79 R CB -0.180 30.104 30.300 -0.026 0.000 0.839 79 R HN 0.138 8.258 8.270 -0.011 0.143 0.429 80 E N -0.703 119.473 120.200 -0.039 0.000 2.150 80 E HA -0.262 4.058 4.350 -0.050 0.000 0.193 80 E C 1.945 178.517 176.600 -0.048 0.000 0.985 80 E CA 2.754 59.129 56.400 -0.042 0.000 0.814 80 E CB -0.309 29.373 29.700 -0.030 0.000 0.752 80 E HN -0.406 7.937 8.360 -0.029 0.000 0.466 81 A N 0.240 123.038 122.820 -0.036 0.000 1.851 81 A HA -0.289 4.016 4.320 -0.026 0.000 0.216 81 A C 1.992 179.540 177.584 -0.060 0.000 1.195 81 A CA 3.139 55.158 52.037 -0.030 0.000 0.622 81 A CB -0.459 18.539 19.000 -0.004 0.000 0.831 81 A HN 0.110 8.226 8.150 -0.028 0.017 0.444 82 I N -2.375 118.143 120.570 -0.087 0.000 2.151 82 I HA -0.671 3.415 4.170 -0.139 0.000 0.243 82 I C 2.117 178.089 176.117 -0.242 0.000 1.080 82 I CA 4.272 65.459 61.300 -0.188 0.000 1.339 82 I CB -0.264 37.566 38.000 -0.284 0.000 1.039 82 I HN -0.228 7.943 8.210 -0.064 0.000 0.409 83 S N -1.445 114.142 115.700 -0.187 0.000 2.419 83 S HA -0.310 4.044 4.470 -0.195 0.000 0.233 83 S C 2.001 176.539 174.600 -0.104 0.000 1.016 83 S CA 3.296 61.405 58.200 -0.153 0.000 0.974 83 S CB -0.243 62.893 63.200 -0.107 0.000 0.786 83 S HN -0.504 7.715 8.310 -0.152 0.000 0.492 84 L N 2.749 123.922 121.223 -0.083 0.000 1.973 84 L HA -0.174 4.136 4.340 -0.050 0.000 0.208 84 L C 1.296 178.132 176.870 -0.057 0.000 1.073 84 L CA 2.452 57.258 54.840 -0.058 0.000 0.746 84 L CB -0.870 41.163 42.059 -0.043 0.000 0.891 84 L HN -0.272 7.743 8.230 -0.086 0.164 0.433 85 V N -0.554 119.324 119.914 -0.060 0.000 2.370 85 V HA -0.609 3.481 4.120 -0.049 0.000 0.252 85 V C 1.513 177.582 176.094 -0.042 0.000 1.068 85 V CA 4.043 66.312 62.300 -0.051 0.000 1.061 85 V CB -0.134 31.663 31.823 -0.042 0.000 0.656 85 V HN -0.299 7.853 8.190 -0.064 0.000 0.455 86 C N -2.668 116.595 119.300 -0.060 0.000 2.440 86 C HA -0.341 4.117 4.460 -0.003 0.000 0.278 86 C C 1.817 176.789 174.990 -0.030 0.000 1.295 86 C CA 4.297 63.291 59.018 -0.039 0.000 1.738 86 C CB -1.106 26.586 27.740 -0.081 0.000 1.987 86 C HN -0.339 7.818 8.230 -0.097 0.014 0.492 87 E N 0.437 120.613 120.200 -0.040 0.000 2.058 87 E HA -0.320 4.014 4.350 -0.027 0.000 0.194 87 E C 1.076 177.662 176.600 -0.023 0.000 0.997 87 E CA 2.782 59.163 56.400 -0.031 0.000 0.801 87 E CB -0.375 29.305 29.700 -0.034 0.000 0.746 87 E HN -0.387 7.833 8.360 -0.053 0.108 0.450 88 A N -2.810 119.994 122.820 -0.027 0.000 1.898 88 A HA -0.098 4.208 4.320 -0.023 0.000 0.216 88 A C 0.741 178.315 177.584 -0.017 0.000 1.181 88 A CA 2.112 54.134 52.037 -0.025 0.000 0.620 88 A CB 0.623 19.603 19.000 -0.034 0.000 0.819 88 A HN -0.591 7.539 8.150 -0.032 0.000 0.442 89 V N -0.533 119.373 119.914 -0.013 0.000 2.225 89 V HA 0.480 4.600 4.120 0.000 0.000 0.264 89 V C -1.743 174.357 176.094 0.010 0.000 1.067 89 V CA -4.511 57.789 62.300 -0.000 0.000 0.903 89 V CB 1.341 33.166 31.823 0.003 0.000 1.136 89 V HN -0.620 7.559 8.190 -0.017 0.000 0.456 90 P HA 0.079 4.583 4.420 0.013 -0.076 0.234 90 P C 1.388 178.701 177.300 0.022 0.000 1.167 90 P CA 1.071 64.178 63.100 0.012 0.000 0.763 90 P CB 0.091 31.794 31.700 0.005 0.000 0.835 91 G N -0.025 108.788 108.800 0.022 0.000 2.503 91 G HA2 -0.319 3.654 3.960 0.021 0.000 0.221 91 G HA3 -0.319 3.656 3.960 0.024 0.000 0.221 91 G C -0.045 174.875 174.900 0.033 0.000 1.131 91 G CA 1.275 46.390 45.100 0.025 0.000 0.756 91 G HN 0.119 8.352 8.290 0.018 0.067 0.572 92 A N -0.333 122.514 122.820 0.045 0.000 1.930 92 A HA -0.152 4.196 4.320 0.046 0.000 0.217 92 A C -0.355 177.269 177.584 0.067 0.000 1.175 92 A CA 0.304 52.377 52.037 0.061 0.000 0.627 92 A CB 0.332 19.391 19.000 0.098 0.000 0.815 92 A HN -0.679 7.482 8.150 0.045 0.017 0.443 93 K N -1.303 119.134 120.400 0.063 0.000 6.357 93 K HA -0.348 3.997 4.320 0.041 0.000 0.664 93 K C -0.951 175.700 176.600 0.085 0.000 1.803 93 K CA 0.744 57.064 56.287 0.055 0.000 1.595 93 K CB -1.483 31.041 32.500 0.038 0.000 1.816 93 K HN -0.281 7.896 8.250 0.054 0.106 0.323 94 G N 2.787 111.640 108.800 0.088 0.000 2.472 94 G HA2 0.222 4.262 3.960 0.132 0.000 0.212 94 G HA3 0.222 4.326 3.960 0.240 0.000 0.212 94 G C -1.317 173.612 174.900 0.049 0.000 1.484 94 G CA 0.941 46.119 45.100 0.129 0.000 0.542 94 G HN 0.371 8.693 8.290 0.053 0.000 1.118 95 A N -0.057 122.757 122.820 -0.010 0.000 1.975 95 A HA 0.319 4.627 4.320 -0.019 0.000 0.197 95 A C -0.054 177.514 177.584 -0.027 0.000 1.537 95 A CA 0.939 52.953 52.037 -0.037 0.000 0.972 95 A CB 0.931 19.873 19.000 -0.097 0.000 1.019 95 A HN 0.051 8.191 8.150 -0.017 0.000 0.488 96 T N -1.069 113.468 114.554 -0.028 0.000 2.633 96 T HA 0.137 4.477 4.350 -0.016 0.000 0.262 96 T C -1.457 173.239 174.700 -0.008 0.000 0.920 96 T CA -0.380 61.708 62.100 -0.020 0.000 1.062 96 T CB 1.683 70.534 68.868 -0.028 0.000 1.390 96 T HN -0.584 7.635 8.240 -0.034 0.000 0.549 97 R N -2.222 118.273 120.500 -0.008 0.000 2.644 97 R HA 0.312 4.653 4.340 0.001 0.000 0.257 97 R C -0.780 175.517 176.300 -0.004 0.000 1.082 97 R CA 0.256 56.355 56.100 -0.002 0.000 0.927 97 R CB 1.635 31.937 30.300 0.002 0.000 1.258 97 R HN 0.249 8.512 8.270 -0.011 0.000 0.459 98 R N -0.540 119.958 120.500 -0.003 0.000 1.804 98 R HA -0.429 3.909 4.340 -0.002 0.000 0.082 98 R C -1.257 175.039 176.300 -0.007 0.000 0.945 98 R CA 2.795 58.893 56.100 -0.004 0.000 1.841 98 R CB -0.751 29.548 30.300 -0.003 0.000 0.352 98 R HN 0.665 8.935 8.270 -0.000 0.000 0.703 99 R N -0.383 120.112 120.500 -0.009 0.000 2.647 99 R HA 0.041 4.487 4.340 -0.014 -0.114 0.260 99 R C -2.080 174.213 176.300 -0.011 0.000 1.154 99 R CA 0.155 56.248 56.100 -0.011 0.000 1.029 99 R CB 2.364 32.658 30.300 -0.010 0.000 1.262 99 R HN -0.145 8.103 8.270 -0.007 0.018 0.437 100 K N 4.808 125.200 120.400 -0.014 0.000 2.536 100 K HA 0.152 4.465 4.320 -0.013 0.000 0.335 100 K C -2.761 173.829 176.600 -0.018 0.000 1.390 100 K CA -1.073 55.206 56.287 -0.014 0.000 1.083 100 K CB 0.818 33.310 32.500 -0.013 0.000 1.416 100 K HN 0.314 8.698 8.250 -0.017 -0.143 0.509 101 P HA 0.141 4.548 4.420 -0.022 0.000 0.271 101 P C -0.543 176.746 177.300 -0.019 0.000 1.216 101 P CA -0.339 62.750 63.100 -0.019 0.000 0.776 101 P CB 0.636 32.326 31.700 -0.017 0.000 0.881 102 C N 3.792 123.080 119.300 -0.022 0.000 2.779 102 C HA 0.304 4.753 4.460 -0.018 0.000 0.314 102 C C 0.207 175.185 174.990 -0.020 0.000 1.231 102 C CA -0.798 58.208 59.018 -0.021 0.000 1.652 102 C CB 2.945 30.671 27.740 -0.024 0.000 2.198 102 C HN 0.186 8.402 8.230 -0.024 0.000 0.483 103 S N 1.163 116.852 115.700 -0.018 0.000 2.640 103 S HA -0.005 4.454 4.470 -0.018 0.000 0.262 103 S C -0.789 173.799 174.600 -0.020 0.000 1.232 103 S CA 1.006 59.195 58.200 -0.018 0.000 0.988 103 S CB 0.575 63.766 63.200 -0.016 0.000 1.034 103 S HN 0.135 8.435 8.310 -0.017 0.000 0.569 104 R N -1.426 119.063 120.500 -0.019 0.000 1.430 104 R HA -0.153 4.175 4.340 -0.020 0.000 0.469 104 R C -2.537 173.750 176.300 -0.021 0.000 1.339 104 R CA -0.133 55.955 56.100 -0.020 0.000 1.404 104 R CB -1.750 28.538 30.300 -0.020 0.000 3.597 104 R HN 0.257 8.517 8.270 -0.018 0.000 0.523 105 P HA 0.030 4.438 4.420 -0.020 0.000 0.286 105 P C -1.305 175.983 177.300 -0.020 0.000 1.293 105 P CA -0.514 62.574 63.100 -0.020 0.000 0.770 105 P CB 0.548 32.237 31.700 -0.019 0.000 1.206 106 L N -0.922 120.287 121.223 -0.022 0.000 2.439 106 L HA 0.089 4.415 4.340 -0.023 0.000 0.261 106 L C -0.162 176.692 176.870 -0.026 0.000 1.153 106 L CA 0.437 55.262 54.840 -0.025 0.000 0.808 106 L CB 0.528 42.570 42.059 -0.029 0.000 1.126 106 L HN 0.138 8.355 8.230 -0.023 0.000 0.460 107 S N -0.678 115.006 115.700 -0.027 0.000 3.914 107 S HA -0.233 4.220 4.470 -0.028 0.000 0.674 107 S C -1.156 173.432 174.600 -0.020 0.000 1.528 107 S CA 0.641 58.825 58.200 -0.027 0.000 1.636 107 S CB 0.464 63.644 63.200 -0.033 0.000 0.356 107 S HN -0.073 8.221 8.310 -0.027 0.000 1.280 108 S N 2.906 118.596 115.700 -0.017 0.000 3.036 108 S HA 0.099 4.561 4.470 -0.013 0.000 0.301 108 S C -0.901 173.694 174.600 -0.010 0.000 1.205 108 S CA 0.143 58.336 58.200 -0.013 0.000 0.999 108 S CB -0.866 62.328 63.200 -0.010 0.000 1.337 108 S HN 0.240 8.539 8.310 -0.019 0.000 0.515 109 I N 2.165 122.729 120.570 -0.010 0.000 3.002 109 I HA 0.262 4.430 4.170 -0.004 0.000 0.310 109 I C -1.393 174.720 176.117 -0.006 0.000 1.087 109 I CA -1.337 59.959 61.300 -0.007 0.000 1.017 109 I CB 2.521 40.517 38.000 -0.008 0.000 1.226 109 I HN -0.621 7.582 8.210 -0.012 0.000 0.443 110 L N -1.763 119.458 121.223 -0.003 0.000 0.588 110 L HA -0.391 3.950 4.340 0.002 0.000 0.356 110 L C -0.987 175.881 176.870 -0.004 0.000 0.998 110 L CA 1.085 55.923 54.840 -0.002 0.000 1.223 110 L CB -0.402 41.652 42.059 -0.007 0.000 0.010 110 L HN 0.162 8.392 8.230 0.000 0.000 0.092 111 G N -1.413 107.386 108.800 -0.003 0.000 2.754 111 G HA2 0.172 4.128 3.960 -0.006 0.000 0.205 111 G HA3 0.172 4.130 3.960 -0.002 0.000 0.205 111 G C -1.171 173.724 174.900 -0.008 0.000 1.213 111 G CA 0.204 45.301 45.100 -0.005 0.000 0.616 111 G HN 0.437 8.726 8.290 -0.002 0.000 0.900 112 R N 0.001 120.496 120.500 -0.008 0.000 2.907 112 R HA 0.224 4.554 4.340 -0.017 0.000 0.246 112 R C -2.464 173.827 176.300 -0.015 0.000 1.082 112 R CA 0.388 56.479 56.100 -0.014 0.000 1.003 112 R CB 2.310 32.601 30.300 -0.015 0.000 1.261 112 R HN -0.415 7.853 8.270 -0.005 0.000 0.474 113 S N 2.573 118.260 115.700 -0.023 0.000 2.509 113 S HA 0.204 4.771 4.470 -0.019 -0.108 0.297 113 S C -0.987 173.587 174.600 -0.042 0.000 1.118 113 S CA -1.146 57.038 58.200 -0.028 0.000 1.074 113 S CB 2.203 65.385 63.200 -0.030 0.000 1.038 113 S HN 0.206 8.501 8.310 -0.025 0.000 0.498 114 N N 3.357 122.023 118.700 -0.055 0.000 2.421 114 N HA 0.196 4.894 4.740 -0.069 0.000 0.285 114 N C 0.195 175.643 175.510 -0.104 0.000 1.027 114 N CA -1.449 51.554 53.050 -0.079 0.000 0.918 114 N CB 0.773 39.205 38.487 -0.091 0.000 1.152 114 N HN 0.120 8.470 8.380 -0.050 0.000 0.485 115 L N -4.247 116.915 121.223 -0.100 0.000 2.599 115 L HA 0.030 4.312 4.340 -0.096 0.000 0.230 115 L C -0.338 176.448 176.870 -0.141 0.000 1.141 115 L CA -0.385 54.396 54.840 -0.099 0.000 0.877 115 L CB -0.740 41.282 42.059 -0.061 0.000 1.009 115 L HN 0.298 8.476 8.230 -0.087 0.000 0.447 116 K N 1.612 121.874 120.400 -0.230 0.000 2.264 116 K HA -0.283 3.730 4.320 -0.512 0.000 0.262 116 K C -0.574 175.787 176.600 -0.398 0.000 1.247 116 K CA 1.353 57.353 56.287 -0.479 0.000 1.248 116 K CB -1.046 31.122 32.500 -0.554 0.000 0.825 116 K HN -0.303 7.737 8.250 -0.200 0.090 0.468 117 F N -4.386 115.577 119.950 0.021 0.000 2.950 117 F HA -0.367 4.199 4.527 0.065 0.000 0.334 117 F C -1.530 174.263 175.800 -0.012 0.000 0.979 117 F CA -0.238 57.804 58.000 0.071 0.000 1.140 117 F CB -2.794 36.332 39.000 0.210 0.000 1.281 117 F HN -0.281 7.952 8.300 -0.111 0.000 0.734 118 A N -1.968 120.903 122.820 0.085 0.000 2.294 118 A HA 0.315 4.749 4.320 -0.113 -0.182 0.330 118 A C -0.240 177.365 177.584 0.036 0.000 1.133 118 A CA -1.380 50.647 52.037 -0.016 0.000 0.836 118 A CB 2.081 21.055 19.000 -0.043 0.000 1.190 118 A HN -0.531 7.671 8.150 0.087 0.000 0.492 119 G N 0.567 109.379 108.800 0.020 0.000 2.341 119 G HA2 -0.365 3.613 3.960 0.030 0.000 0.292 119 G HA3 -0.365 3.619 3.960 0.039 0.000 0.292 119 G C -0.538 174.393 174.900 0.053 0.000 1.021 119 G CA 0.784 45.906 45.100 0.037 0.000 0.905 119 G HN 0.166 8.450 8.290 -0.010 0.000 0.508 120 M N 1.321 120.968 119.600 0.079 0.000 2.101 120 M HA 0.493 5.012 4.480 0.066 0.000 0.340 120 M C -2.815 173.532 176.300 0.077 0.000 1.057 120 M CA -2.566 52.787 55.300 0.089 0.000 0.984 120 M CB 2.872 35.551 32.600 0.133 0.000 1.560 120 M HN -0.637 7.689 8.290 0.084 0.015 0.435 121 P HA 0.241 4.684 4.420 0.039 0.000 0.288 121 P C -1.789 175.526 177.300 0.024 0.000 1.363 121 P CA -0.623 62.498 63.100 0.034 0.000 0.837 121 P CB -0.353 31.359 31.700 0.021 0.000 0.981 122 I N -0.973 119.613 120.570 0.025 0.000 3.264 122 I HA 0.769 4.989 4.170 -0.006 -0.054 0.315 122 I C -1.535 174.582 176.117 0.001 0.000 1.154 122 I CA -2.787 58.513 61.300 0.000 0.000 0.962 122 I CB 3.645 41.630 38.000 -0.025 0.000 1.265 122 I HN 0.032 8.266 8.210 0.040 0.000 0.463 123 T N 1.347 115.890 114.554 -0.018 0.000 2.794 123 T HA 0.349 4.891 4.350 0.012 -0.185 0.304 123 T C -0.411 174.265 174.700 -0.040 0.000 0.973 123 T CA -0.990 61.100 62.100 -0.017 0.000 0.972 123 T CB -0.966 67.883 68.868 -0.031 0.000 0.952 123 T HN 0.343 8.564 8.240 -0.031 0.000 0.509 124 L N 6.633 127.845 121.223 -0.018 0.000 2.379 124 L HA 0.221 4.512 4.340 -0.082 0.000 0.269 124 L C -2.068 174.770 176.870 -0.054 0.000 1.084 124 L CA -0.604 54.208 54.840 -0.046 0.000 0.802 124 L CB 2.510 44.550 42.059 -0.032 0.000 1.175 124 L HN 0.325 8.569 8.230 0.023 0.000 0.448 125 T N 5.808 120.305 114.554 -0.095 0.000 2.928 125 T HA 0.630 5.143 4.350 -0.129 -0.240 0.296 125 T C -1.794 172.811 174.700 -0.158 0.000 1.000 125 T CA -0.389 61.635 62.100 -0.126 0.000 0.989 125 T CB 2.219 71.007 68.868 -0.133 0.000 1.005 125 T HN -0.157 8.019 8.240 -0.106 0.000 0.442 126 V N 3.883 123.666 119.914 -0.220 0.000 2.427 126 V HA 0.396 4.336 4.120 -0.300 0.000 0.286 126 V C -2.667 173.217 176.094 -0.349 0.000 1.034 126 V CA -2.245 59.826 62.300 -0.381 0.000 0.893 126 V CB 1.483 32.829 31.823 -0.795 0.000 0.982 126 V HN 0.872 8.844 8.190 -0.186 0.106 0.452 127 S N 5.847 121.381 115.700 -0.276 0.000 2.627 127 S HA 0.355 4.725 4.470 -0.167 0.000 0.283 127 S C -0.762 173.753 174.600 -0.141 0.000 1.127 127 S CA -2.207 55.888 58.200 -0.175 0.000 0.863 127 S CB 2.875 66.011 63.200 -0.108 0.000 1.121 127 S HN 0.157 8.310 8.310 -0.261 0.000 0.479 128 T N 3.952 118.464 114.554 -0.070 0.000 2.708 128 T HA -0.185 4.155 4.350 -0.016 0.000 0.271 128 T C -0.090 174.591 174.700 -0.032 0.000 0.985 128 T CA 1.732 63.816 62.100 -0.027 0.000 1.229 128 T CB -0.682 68.191 68.868 0.009 0.000 0.934 128 T HN -0.010 8.198 8.240 -0.052 0.000 0.522 129 S N 2.467 118.145 115.700 -0.037 0.000 3.631 129 S HA -0.418 4.033 4.470 -0.032 0.000 0.366 129 S C -1.315 173.274 174.600 -0.018 0.000 0.993 129 S CA 0.883 59.068 58.200 -0.025 0.000 1.167 129 S CB -0.988 62.209 63.200 -0.006 0.000 0.909 129 S HN 0.180 8.465 8.310 -0.042 0.000 0.478 130 S N -1.374 114.300 115.700 -0.043 0.000 2.546 130 S HA 0.173 4.790 4.470 -0.004 -0.149 0.303 130 S C -2.584 171.975 174.600 -0.070 0.000 1.067 130 S CA 0.546 58.727 58.200 -0.032 0.000 0.944 130 S CB 1.782 64.969 63.200 -0.022 0.000 1.155 130 S HN -0.511 7.755 8.310 -0.073 0.000 0.449 131 L N 6.779 127.968 121.223 -0.057 0.000 2.298 131 L HA 0.382 4.767 4.340 -0.121 -0.117 0.284 131 L C -1.587 175.227 176.870 -0.093 0.000 1.013 131 L CA -0.715 54.073 54.840 -0.086 0.000 0.824 131 L CB 2.549 44.576 42.059 -0.053 0.000 1.221 131 L HN 0.311 8.524 8.230 -0.028 0.000 0.418 132 N N 6.165 124.801 118.700 -0.108 0.000 2.372 132 N HA 0.306 4.969 4.740 -0.129 0.000 0.285 132 N C -1.209 174.226 175.510 -0.125 0.000 1.008 132 N CA -1.166 51.816 53.050 -0.114 0.000 0.880 132 N CB 2.190 40.624 38.487 -0.089 0.000 1.239 132 N HN -0.173 8.138 8.380 -0.114 0.000 0.484 133 L N -1.629 119.506 121.223 -0.147 0.000 2.358 133 L HA 0.527 4.790 4.340 -0.128 0.000 0.268 133 L C -0.427 176.364 176.870 -0.130 0.000 1.032 133 L CA -1.344 53.407 54.840 -0.149 0.000 0.805 133 L CB 1.936 43.872 42.059 -0.205 0.000 1.253 133 L HN 0.014 8.146 8.230 -0.163 0.000 0.452 134 M N -1.409 118.125 119.600 -0.111 0.000 2.124 134 M HA 0.198 4.694 4.480 -0.100 -0.076 0.280 134 M C -1.450 174.800 176.300 -0.084 0.000 0.954 134 M CA -1.014 54.230 55.300 -0.093 0.000 0.958 134 M CB 2.712 35.267 32.600 -0.076 0.000 1.611 134 M HN 0.375 8.603 8.290 -0.104 0.000 0.449 135 A N 2.965 125.729 122.820 -0.093 0.000 2.513 135 A HA -0.111 4.162 4.320 -0.079 0.000 0.274 135 A C -0.398 177.154 177.584 -0.053 0.000 1.115 135 A CA 1.134 53.123 52.037 -0.080 0.000 0.792 135 A CB -0.188 18.755 19.000 -0.094 0.000 1.053 135 A HN 0.048 8.136 8.150 -0.105 0.000 0.515 136 A N 3.831 126.628 122.820 -0.038 0.000 2.081 136 A HA -0.194 4.109 4.320 -0.028 0.000 0.214 136 A C 0.871 178.444 177.584 -0.018 0.000 1.158 136 A CA 2.668 54.690 52.037 -0.024 0.000 0.724 136 A CB 0.157 19.149 19.000 -0.014 0.000 0.826 136 A HN 0.369 8.499 8.150 -0.035 0.000 0.463 137 D N -3.029 117.361 120.400 -0.017 0.000 2.394 137 D HA -0.026 4.610 4.640 -0.008 0.000 0.226 137 D C 0.468 176.758 176.300 -0.017 0.000 0.990 137 D CA 1.773 55.767 54.000 -0.011 0.000 0.902 137 D CB 0.383 41.183 40.800 -0.001 0.000 1.038 137 D HN -0.153 8.176 8.370 -0.021 0.029 0.499 138 C N -1.274 118.008 119.300 -0.030 0.000 2.481 138 C HA -0.068 4.375 4.460 -0.028 0.000 0.275 138 C C -0.625 174.343 174.990 -0.037 0.000 1.419 138 C CA 0.778 59.773 59.018 -0.038 0.000 1.773 138 C CB 0.311 28.012 27.740 -0.064 0.000 1.862 138 C HN -0.057 8.151 8.230 -0.036 0.000 0.530 139 K N -2.228 118.150 120.400 -0.036 0.000 3.510 139 K HA -0.320 3.981 4.320 -0.031 0.000 0.275 139 K C -1.759 174.816 176.600 -0.041 0.000 1.094 139 K CA 0.800 57.068 56.287 -0.033 0.000 0.822 139 K CB -3.169 29.316 32.500 -0.025 0.000 1.351 139 K HN -0.065 8.124 8.250 -0.036 0.040 0.458 140 Q N -3.782 115.988 119.800 -0.051 0.000 2.944 140 Q HA 0.147 4.458 4.340 -0.048 0.000 0.328 140 Q C -2.175 173.784 176.000 -0.069 0.000 0.810 140 Q CA -1.261 54.508 55.803 -0.057 0.000 0.847 140 Q CB 1.837 30.537 28.738 -0.063 0.000 1.408 140 Q HN -0.169 8.070 8.270 -0.052 0.000 0.484 141 I N -0.903 119.622 120.570 -0.075 0.000 2.530 141 I HA 0.176 4.292 4.170 -0.089 0.000 0.297 141 I C -1.325 174.725 176.117 -0.111 0.000 1.011 141 I CA -1.373 59.875 61.300 -0.086 0.000 1.107 141 I CB 2.487 40.444 38.000 -0.071 0.000 1.285 141 I HN -0.059 8.110 8.210 -0.069 0.000 0.436 142 I N 5.611 126.099 120.570 -0.136 0.000 2.377 142 I HA 0.214 4.281 4.170 -0.172 0.000 0.293 142 I C -1.656 174.353 176.117 -0.179 0.000 0.987 142 I CA -1.029 60.166 61.300 -0.175 0.000 1.185 142 I CB 2.130 39.995 38.000 -0.224 0.000 1.341 142 I HN 0.309 8.330 8.210 -0.130 0.111 0.455 143 A N 6.615 129.316 122.820 -0.198 0.000 2.350 143 A HA 0.274 4.447 4.320 -0.245 0.000 0.318 143 A C -1.647 175.724 177.584 -0.355 0.000 1.132 143 A CA -0.894 50.977 52.037 -0.277 0.000 0.811 143 A CB 2.114 20.950 19.000 -0.272 0.000 1.313 143 A HN 0.226 8.266 8.150 -0.184 0.000 0.454 144 N N -0.342 118.051 118.700 -0.511 0.000 2.542 144 N HA 0.181 4.742 4.740 -0.299 0.000 0.288 144 N C -1.231 174.024 175.510 -0.425 0.000 1.115 144 N CA 1.098 53.929 53.050 -0.364 0.000 0.924 144 N CB 2.126 40.533 38.487 -0.133 0.000 1.526 144 N HN 0.349 8.368 8.380 -0.601 0.000 0.515 145 H N 1.384 120.443 119.070 -0.018 0.000 2.551 145 H HA 0.348 4.914 4.556 0.017 0.000 0.238 145 H C -0.878 174.446 175.328 -0.008 0.000 1.345 145 H CA -0.251 55.790 56.048 -0.011 0.000 1.105 145 H CB -0.049 29.693 29.762 -0.034 0.000 1.805 145 H HN 0.130 8.289 8.280 -0.203 0.000 0.553 146 H N 2.294 121.428 119.070 0.107 0.000 2.406 146 H HA 0.136 4.747 4.556 0.092 0.000 0.304 146 H C 0.004 175.373 175.328 0.068 0.000 1.042 146 H CA 0.598 56.698 56.048 0.087 0.000 1.360 146 H CB 1.010 30.823 29.762 0.084 0.000 1.448 146 H HN 0.163 8.561 8.280 0.197 0.000 0.553 147 M N -2.348 117.372 119.600 0.200 0.000 3.385 147 M HA 0.165 4.709 4.480 0.107 0.000 0.286 147 M C 0.424 176.774 176.300 0.083 0.000 1.381 147 M CA -1.074 54.291 55.300 0.109 0.000 0.813 147 M CB 1.328 33.961 32.600 0.054 0.000 1.731 147 M HN -0.627 7.784 8.290 0.200 0.000 0.460 148 Q N -0.382 119.447 119.800 0.049 0.000 1.998 148 Q HA -0.234 4.143 4.340 0.062 0.000 0.209 148 Q C 0.693 176.706 176.000 0.022 0.000 1.002 148 Q CA 2.812 58.637 55.803 0.037 0.000 0.858 148 Q CB 0.274 29.014 28.738 0.004 0.000 0.932 148 Q HN 0.329 8.619 8.270 0.034 0.000 0.416 149 S N -7.432 108.270 115.700 0.003 0.000 5.309 149 S HA -0.107 4.382 4.470 0.033 0.000 0.106 149 S C -1.773 172.833 174.600 0.010 0.000 1.057 149 S CA 0.508 58.715 58.200 0.012 0.000 1.384 149 S CB 0.831 64.022 63.200 -0.014 0.000 1.547 149 S HN -0.249 8.052 8.310 -0.014 0.000 0.431 150 I N -4.137 116.408 120.570 -0.042 0.000 3.434 150 I HA 0.441 4.543 4.170 -0.113 0.000 0.317 150 I C -1.788 174.233 176.117 -0.160 0.000 1.230 150 I CA -0.603 60.637 61.300 -0.099 0.000 0.918 150 I CB 1.742 39.684 38.000 -0.097 0.000 1.337 150 I HN -0.648 7.531 8.210 -0.051 0.000 0.482 151 S N -0.918 114.653 115.700 -0.215 0.000 5.768 151 S HA 0.007 4.241 4.470 -0.395 0.000 0.129 151 S C -1.494 172.833 174.600 -0.455 0.000 1.124 151 S CA 0.289 58.265 58.200 -0.374 0.000 1.411 151 S CB 1.263 64.216 63.200 -0.410 0.000 1.995 151 S HN -0.060 8.131 8.310 -0.198 0.000 0.565 152 F N 1.736 121.598 119.950 -0.147 0.000 2.499 152 F HA 0.270 4.742 4.527 -0.091 0.000 0.333 152 F C -1.106 174.622 175.800 -0.121 0.000 1.138 152 F CA -1.266 56.665 58.000 -0.115 0.000 0.945 152 F CB 2.041 40.978 39.000 -0.105 0.000 1.181 152 F HN -0.228 8.026 8.300 -0.078 0.000 0.435 153 A N 3.571 126.460 122.820 0.116 0.000 2.378 153 A HA 0.228 4.523 4.320 -0.042 0.000 0.293 153 A C -1.022 176.584 177.584 0.036 0.000 1.250 153 A CA -0.733 51.308 52.037 0.006 0.000 0.915 153 A CB 2.314 21.282 19.000 -0.054 0.000 1.402 153 A HN 0.323 8.578 8.150 0.175 0.000 0.502 154 S N -1.219 114.496 115.700 0.026 0.000 2.475 154 S HA 0.004 4.481 4.470 0.012 0.000 0.224 154 S C 1.795 176.408 174.600 0.021 0.000 1.042 154 S CA 1.749 59.964 58.200 0.025 0.000 0.935 154 S CB 0.955 64.179 63.200 0.039 0.000 0.801 154 S HN 0.673 8.999 8.310 0.026 0.000 0.509 155 G N 0.630 109.446 108.800 0.026 0.000 4.655 155 G HA2 -0.372 3.742 3.960 0.010 0.000 0.220 155 G HA3 -0.372 3.594 3.960 0.011 0.000 0.220 155 G C -0.488 174.424 174.900 0.020 0.000 1.403 155 G CA -0.038 45.072 45.100 0.016 0.000 0.931 155 G HN 0.142 8.451 8.290 0.032 0.000 0.654 156 G N 1.286 110.097 108.800 0.019 0.000 2.901 156 G HA2 -0.352 3.618 3.960 0.017 0.000 0.654 156 G HA3 -0.352 3.860 3.960 0.032 -0.233 0.654 156 G C -3.093 171.815 174.900 0.013 0.000 1.550 156 G CA -0.216 44.897 45.100 0.021 0.000 0.978 156 G HN -0.370 7.872 8.290 0.015 0.056 0.566 157 D N -0.731 119.676 120.400 0.012 0.000 3.937 157 D HA 0.203 4.847 4.640 0.006 0.000 0.250 157 D C -1.980 174.325 176.300 0.008 0.000 1.434 157 D CA -0.997 53.007 54.000 0.007 0.000 0.834 157 D CB 0.366 41.166 40.800 0.001 0.000 1.395 157 D HN -0.039 8.340 8.370 0.015 0.000 0.778 158 P HA 0.299 4.732 4.420 0.021 0.000 0.286 158 P C -0.650 176.670 177.300 0.033 0.000 1.292 158 P CA -0.905 62.210 63.100 0.024 0.000 0.842 158 P CB 2.734 34.452 31.700 0.029 0.000 1.207 159 D N -0.250 120.181 120.400 0.050 0.000 2.144 159 D HA -0.172 4.495 4.640 0.046 0.000 0.200 159 D C -0.508 175.829 176.300 0.062 0.000 0.978 159 D CA 2.522 56.559 54.000 0.062 0.000 0.833 159 D CB 0.621 41.477 40.800 0.094 0.000 0.961 159 D HN 0.491 8.893 8.370 0.054 0.000 0.470 160 T N -7.337 107.267 114.554 0.083 0.000 4.012 160 T HA 0.029 4.401 4.350 0.036 0.000 0.167 160 T C -1.340 173.427 174.700 0.110 0.000 0.566 160 T CA -0.449 61.695 62.100 0.073 0.000 1.112 160 T CB 0.048 68.939 68.868 0.039 0.000 1.206 160 T HN -0.499 7.797 8.240 0.092 0.000 0.544 161 A N 4.491 127.356 122.820 0.075 0.000 1.260 161 A HA -0.294 4.055 4.320 0.047 0.000 0.276 161 A C -0.644 176.986 177.584 0.078 0.000 1.132 161 A CA 2.371 54.450 52.037 0.070 0.000 1.094 161 A CB -1.202 17.843 19.000 0.075 0.000 1.471 161 A HN 0.129 8.311 8.150 0.054 0.000 0.723 162 E N -0.309 119.964 120.200 0.121 0.000 4.170 162 E HA 0.216 4.594 4.350 0.047 0.000 0.199 162 E C -2.187 174.449 176.600 0.060 0.000 1.080 162 E CA -0.530 55.912 56.400 0.070 0.000 1.446 162 E CB 0.993 30.709 29.700 0.027 0.000 1.170 162 E HN 0.301 8.727 8.360 0.188 0.046 0.429 163 Y N -2.357 117.956 120.300 0.021 0.000 2.562 163 Y HA 0.062 4.629 4.550 0.029 0.000 0.343 163 Y C -0.984 174.943 175.900 0.046 0.000 1.025 163 Y CA -0.697 57.421 58.100 0.030 0.000 1.082 163 Y CB 3.007 41.482 38.460 0.025 0.000 1.264 163 Y HN -0.557 7.857 8.280 0.224 0.000 0.478 164 V N 2.029 122.073 119.914 0.216 0.000 2.841 164 V HA 0.249 4.480 4.120 0.186 0.000 0.310 164 V C -2.120 174.128 176.094 0.257 0.000 1.090 164 V CA -2.153 60.267 62.300 0.199 0.000 0.930 164 V CB 4.310 36.222 31.823 0.148 0.000 1.014 164 V HN 0.260 8.561 8.190 0.184 0.000 0.425 165 A N 4.555 127.530 122.820 0.258 0.000 2.374 165 A HA 0.273 4.761 4.320 0.279 0.000 0.317 165 A C -2.106 175.703 177.584 0.375 0.000 1.094 165 A CA -1.259 50.942 52.037 0.272 0.000 0.765 165 A CB 3.009 22.117 19.000 0.180 0.000 1.268 165 A HN 0.061 8.346 8.150 0.225 0.000 0.438 166 Y N 0.046 120.431 120.300 0.143 0.000 2.524 166 Y HA 0.270 4.888 4.550 0.114 0.000 0.344 166 Y C -1.432 174.505 175.900 0.061 0.000 1.012 166 Y CA -0.587 57.585 58.100 0.119 0.000 1.068 166 Y CB 4.423 42.975 38.460 0.153 0.000 1.249 166 Y HN 0.550 8.958 8.280 0.399 0.112 0.468 167 V N 1.014 120.914 119.914 -0.023 0.000 2.617 167 V HA 0.061 4.187 4.120 0.009 0.000 0.298 167 V C -1.043 174.971 176.094 -0.134 0.000 1.048 167 V CA -1.886 60.387 62.300 -0.046 0.000 0.964 167 V CB 2.273 34.064 31.823 -0.054 0.000 1.004 167 V HN 0.061 8.116 8.190 -0.227 0.000 0.466 168 A N 8.213 130.952 122.820 -0.135 0.000 2.457 168 A HA 0.435 4.608 4.320 -0.246 0.000 0.283 168 A C -2.010 175.520 177.584 -0.091 0.000 1.166 168 A CA -0.864 51.045 52.037 -0.212 0.000 0.740 168 A CB 1.950 20.724 19.000 -0.375 0.000 1.181 168 A HN 0.539 8.658 8.150 -0.051 0.000 0.446 169 K N 4.915 125.260 120.400 -0.091 0.000 2.219 169 K HA -0.021 4.276 4.320 -0.038 0.000 0.280 169 K C -1.304 175.238 176.600 -0.095 0.000 1.104 169 K CA -0.069 56.180 56.287 -0.063 0.000 0.925 169 K CB -0.734 31.736 32.500 -0.050 0.000 1.261 169 K HN 0.244 8.432 8.250 -0.104 0.000 0.445 170 D N -0.588 119.757 120.400 -0.090 0.000 2.229 170 D HA 0.186 4.767 4.640 -0.099 0.000 0.209 170 D C -2.485 173.778 176.300 -0.061 0.000 1.295 170 D CA -2.275 51.644 54.000 -0.136 0.000 0.913 170 D CB -0.280 40.280 40.800 -0.400 0.000 1.581 170 D HN -0.481 7.858 8.370 -0.051 0.000 0.502 171 P HA -0.042 4.375 4.420 -0.006 0.000 0.270 171 P C -0.130 177.167 177.300 -0.004 0.000 1.227 171 P CA -0.789 62.307 63.100 -0.006 0.000 0.788 171 P CB 0.668 32.376 31.700 0.013 0.000 0.926 172 V N -0.846 119.076 119.914 0.012 0.000 3.376 172 V HA -0.394 3.733 4.120 0.011 0.000 0.303 172 V C -0.261 175.860 176.094 0.046 0.000 1.100 172 V CA 1.249 63.567 62.300 0.029 0.000 1.126 172 V CB 0.517 32.374 31.823 0.056 0.000 1.085 172 V HN -0.215 7.986 8.190 0.018 0.000 0.480 173 N N -0.388 118.353 118.700 0.068 0.000 2.862 173 N HA -0.245 4.566 4.740 0.118 0.000 0.246 173 N C -1.608 173.933 175.510 0.052 0.000 1.101 173 N CA 0.475 53.575 53.050 0.082 0.000 0.679 173 N CB -0.672 37.862 38.487 0.078 0.000 0.986 173 N HN 0.165 8.587 8.380 0.069 0.000 0.557 174 Q N -5.681 114.141 119.800 0.038 0.000 2.630 174 Q HA -0.421 3.930 4.340 0.019 0.000 0.210 174 Q C -1.344 174.670 176.000 0.023 0.000 1.400 174 Q CA 1.526 57.345 55.803 0.027 0.000 0.668 174 Q CB -0.924 27.831 28.738 0.028 0.000 0.781 174 Q HN 0.119 8.409 8.270 0.034 0.000 0.311 175 R N 0.299 120.810 120.500 0.018 0.000 3.275 175 R HA 0.341 4.694 4.340 0.022 0.000 0.154 175 R C -1.174 175.145 176.300 0.032 0.000 0.843 175 R CA 0.427 56.540 56.100 0.021 0.000 1.027 175 R CB 3.653 33.961 30.300 0.014 0.000 1.423 175 R HN -0.035 8.243 8.270 0.013 0.000 0.530 176 A N -2.401 120.444 122.820 0.042 0.000 2.330 176 A HA 0.456 4.821 4.320 0.074 0.000 0.329 176 A C -2.285 175.363 177.584 0.107 0.000 1.135 176 A CA -1.579 50.509 52.037 0.085 0.000 0.817 176 A CB 2.921 21.996 19.000 0.125 0.000 1.269 176 A HN -0.249 7.917 8.150 0.026 0.000 0.469 177 C N 0.137 119.531 119.300 0.157 0.000 2.478 177 C HA 0.387 4.986 4.460 0.125 -0.064 0.334 177 C C -1.046 174.116 174.990 0.288 0.000 1.106 177 C CA -0.975 58.145 59.018 0.169 0.000 1.363 177 C CB 1.226 29.029 27.740 0.106 0.000 1.941 177 C HN -0.012 8.307 8.230 0.149 0.000 0.436 178 H N 6.042 125.206 119.070 0.156 0.000 2.745 178 H HA -0.074 4.538 4.556 0.094 0.000 0.373 178 H C -1.040 174.373 175.328 0.143 0.000 1.226 178 H CA 0.262 56.407 56.048 0.162 0.000 1.435 178 H CB 0.974 30.914 29.762 0.296 0.000 1.461 178 H HN 0.450 8.909 8.280 0.300 0.000 0.616 179 I N -2.697 117.967 120.570 0.158 0.000 2.646 179 I HA 0.156 4.450 4.170 0.208 0.000 0.299 179 I C -1.843 174.320 176.117 0.076 0.000 1.036 179 I CA -1.889 59.489 61.300 0.129 0.000 1.074 179 I CB 2.357 40.409 38.000 0.087 0.000 1.258 179 I HN -0.187 8.025 8.210 0.003 0.000 0.430 180 L N 2.602 123.905 121.223 0.134 0.000 2.403 180 L HA 0.608 5.099 4.340 0.035 -0.130 0.253 180 L C -2.479 174.380 176.870 -0.018 0.000 1.045 180 L CA -0.930 53.947 54.840 0.062 0.000 0.845 180 L CB 5.215 47.302 42.059 0.047 0.000 1.447 180 L HN 0.935 9.287 8.230 0.204 0.000 0.411 181 E N 0.299 120.441 120.200 -0.098 0.000 2.334 181 E HA 0.351 4.524 4.350 -0.295 0.000 0.280 181 E C -2.706 173.813 176.600 -0.136 0.000 0.899 181 E CA -0.292 55.959 56.400 -0.250 0.000 0.813 181 E CB 3.295 32.716 29.700 -0.465 0.000 1.318 181 E HN -0.081 8.254 8.360 -0.042 0.000 0.399 182 C N 6.960 126.197 119.300 -0.105 0.000 2.396 182 C HA 0.560 4.989 4.460 -0.050 0.000 0.321 182 C C -1.436 173.513 174.990 -0.068 0.000 1.233 182 C CA -4.197 54.784 59.018 -0.061 0.000 1.440 182 C CB 3.262 30.985 27.740 -0.030 0.000 2.110 182 C HN 0.665 8.827 8.230 -0.113 0.000 0.473 183 P HA 0.085 4.699 4.420 -0.052 -0.224 0.224 183 P C -1.092 176.182 177.300 -0.042 0.000 1.157 183 P CA 0.703 63.775 63.100 -0.047 0.000 0.799 183 P CB 0.655 32.335 31.700 -0.033 0.000 0.809 184 E N -5.388 114.781 120.200 -0.052 0.000 2.389 184 E HA -0.002 4.306 4.350 -0.070 0.000 0.281 184 E C -1.181 175.345 176.600 -0.124 0.000 1.111 184 E CA -0.467 55.892 56.400 -0.068 0.000 0.869 184 E CB 1.222 30.896 29.700 -0.043 0.000 1.259 184 E HN -0.828 7.476 8.360 -0.051 0.026 0.434 185 G N 0.278 108.964 108.800 -0.189 0.000 4.013 185 G HA2 -0.308 3.444 3.960 -0.346 0.000 0.255 185 G HA3 -0.308 3.354 3.960 -0.496 0.000 0.255 185 G C -0.163 174.379 174.900 -0.598 0.000 1.765 185 G CA 0.517 45.361 45.100 -0.427 0.000 1.396 185 G HN 0.199 8.405 8.290 -0.140 0.000 0.605 186 L N 4.374 125.233 121.223 -0.607 0.000 2.341 186 L HA 0.108 4.294 4.340 -0.257 0.000 0.214 186 L C 1.033 177.876 176.870 -0.044 0.000 1.115 186 L CA 0.445 55.129 54.840 -0.260 0.000 0.820 186 L CB -0.183 41.898 42.059 0.036 0.000 0.944 186 L HN 0.085 8.010 8.230 -0.508 0.000 0.452 187 A N -1.845 120.932 122.820 -0.071 0.000 2.032 187 A HA -0.368 3.966 4.320 0.023 0.000 0.221 187 A C 2.284 179.846 177.584 -0.037 0.000 1.165 187 A CA 3.058 55.081 52.037 -0.024 0.000 0.645 187 A CB -0.915 18.061 19.000 -0.041 0.000 0.807 187 A HN -0.392 7.657 8.150 -0.120 0.029 0.453 188 Q N -3.890 115.861 119.800 -0.081 0.000 2.083 188 Q HA -0.261 4.027 4.340 -0.087 0.000 0.198 188 Q C 1.747 177.649 176.000 -0.163 0.000 0.969 188 Q CA 2.787 58.526 55.803 -0.106 0.000 0.838 188 Q CB -0.379 28.292 28.738 -0.112 0.000 0.900 188 Q HN -0.444 7.717 8.270 -0.110 0.043 0.436 189 D N -0.814 119.475 120.400 -0.186 0.000 2.110 189 D HA -0.060 4.222 4.640 -0.596 0.000 0.202 189 D C 2.667 178.748 176.300 -0.365 0.000 0.975 189 D CA 2.271 55.984 54.000 -0.478 0.000 0.839 189 D CB -0.039 40.370 40.800 -0.652 0.000 0.996 189 D HN -0.366 7.848 8.370 -0.098 0.097 0.464 190 V N -1.409 118.549 119.914 0.074 0.000 2.282 190 V HA -0.350 4.070 4.120 0.500 0.000 0.249 190 V C 1.339 177.506 176.094 0.122 0.000 1.057 190 V CA 2.742 65.227 62.300 0.308 0.000 1.032 190 V CB -1.049 31.041 31.823 0.444 0.000 0.645 190 V HN -0.120 8.180 8.190 0.183 0.000 0.447 191 I N -3.162 117.437 120.570 0.049 0.000 2.530 191 I HA -0.296 3.911 4.170 0.061 0.000 0.257 191 I C -1.331 174.765 176.117 -0.035 0.000 1.179 191 I CA 1.203 62.514 61.300 0.019 0.000 1.440 191 I CB 0.315 38.314 38.000 -0.002 0.000 1.087 191 I HN -0.832 7.402 8.210 0.039 0.000 0.440 192 S N -2.830 112.802 115.700 -0.113 0.000 3.392 192 S HA -0.295 4.095 4.470 -0.243 -0.066 0.693 192 S C -0.850 173.675 174.600 -0.125 0.000 0.620 192 S CA 0.821 58.932 58.200 -0.148 0.000 1.452 192 S CB -0.835 62.317 63.200 -0.080 0.000 0.988 192 S HN 0.056 8.080 8.310 -0.154 0.194 0.932 193 T N 1.158 115.611 114.554 -0.168 0.000 3.878 193 T HA 0.109 4.398 4.350 -0.102 0.000 0.313 193 T C -0.688 173.915 174.700 -0.161 0.000 0.917 193 T CA 1.376 63.397 62.100 -0.133 0.000 1.190 193 T CB 1.756 70.558 68.868 -0.110 0.000 1.068 193 T HN 0.502 8.601 8.240 -0.235 0.000 0.494 194 I N 1.539 121.978 120.570 -0.218 0.000 2.306 194 I HA 0.333 4.381 4.170 -0.202 0.000 0.288 194 I C -0.067 175.881 176.117 -0.283 0.000 1.036 194 I CA -0.526 60.625 61.300 -0.248 0.000 1.221 194 I CB -0.420 37.399 38.000 -0.301 0.000 1.385 194 I HN -0.481 7.584 8.210 -0.242 0.000 0.472 195 G N 5.859 114.531 108.800 -0.213 0.000 2.649 195 G HA2 -0.427 3.450 3.960 -0.137 0.000 0.281 195 G HA3 -0.427 3.572 3.960 -0.159 -0.134 0.281 195 G C -2.187 172.598 174.900 -0.192 0.000 1.325 195 G CA 0.247 45.244 45.100 -0.172 0.000 0.916 195 G HN 0.080 8.262 8.290 -0.180 0.000 0.562 196 Q N -2.597 117.157 119.800 -0.078 0.000 2.774 196 Q HA 0.032 4.300 4.340 -0.119 0.000 0.232 196 Q C -1.834 174.320 176.000 0.255 0.000 0.985 196 Q CA -0.747 55.066 55.803 0.016 0.000 1.058 196 Q CB 2.646 31.382 28.738 -0.004 0.000 1.789 196 Q HN 0.075 8.271 8.270 -0.027 0.058 0.487 197 A N 6.498 129.603 122.820 0.474 0.000 2.507 197 A HA -0.140 4.362 4.320 0.303 0.000 0.281 197 A C -1.185 176.590 177.584 0.319 0.000 1.154 197 A CA 0.781 53.043 52.037 0.375 0.000 0.828 197 A CB -0.960 18.244 19.000 0.340 0.000 1.069 197 A HN 0.432 9.034 8.150 0.781 0.017 0.522 198 F N 6.515 126.516 119.950 0.085 0.000 2.123 198 F HA -0.177 4.373 4.527 0.038 0.000 0.257 198 F C -0.211 175.615 175.800 0.043 0.000 0.967 198 F CA 0.020 58.048 58.000 0.046 0.000 1.152 198 F CB 1.367 40.383 39.000 0.027 0.000 1.869 198 F HN -0.543 7.976 8.300 0.364 0.000 0.562 199 E N -2.062 118.049 120.200 -0.149 0.000 2.399 199 E HA -0.194 4.126 4.350 -0.050 0.000 0.273 199 E C -2.346 174.133 176.600 -0.202 0.000 1.059 199 E CA 0.473 56.814 56.400 -0.098 0.000 0.789 199 E CB -0.914 28.811 29.700 0.042 0.000 1.327 199 E HN 0.000 8.101 8.360 -0.432 0.000 0.398 200 L N -2.276 118.695 121.223 -0.419 0.000 3.688 200 L HA 0.049 4.284 4.340 -0.175 0.000 0.258 200 L C -2.058 174.575 176.870 -0.396 0.000 0.993 200 L CA 0.836 55.496 54.840 -0.300 0.000 1.283 200 L CB 1.144 43.074 42.059 -0.216 0.000 1.960 200 L HN -0.681 7.096 8.230 -0.756 0.000 0.652 201 R N 5.371 125.729 120.500 -0.236 0.000 2.644 201 R HA 0.274 4.463 4.340 -0.253 0.000 0.271 201 R C -0.581 175.752 176.300 0.056 0.000 1.687 201 R CA -0.630 55.374 56.100 -0.158 0.000 1.655 201 R CB 0.850 31.083 30.300 -0.111 0.000 1.285 201 R HN 0.207 8.390 8.270 -0.144 0.000 0.643 202 F N -0.650 119.222 119.950 -0.130 0.000 3.006 202 F HA -0.306 4.257 4.527 -0.078 -0.083 0.289 202 F C -0.890 174.877 175.800 -0.055 0.000 0.772 202 F CA 1.533 59.487 58.000 -0.076 0.000 1.162 202 F CB -1.000 37.975 39.000 -0.041 0.000 1.382 202 F HN 0.165 8.381 8.300 -0.141 0.000 0.406 203 K N -3.124 117.358 120.400 0.137 0.000 2.424 203 K HA -0.072 4.292 4.320 0.074 0.000 0.198 203 K C 0.029 176.666 176.600 0.063 0.000 1.190 203 K CA 0.111 56.444 56.287 0.078 0.000 0.935 203 K CB 0.790 33.320 32.500 0.050 0.000 1.087 203 K HN -0.326 7.905 8.250 0.071 0.062 0.524 204 Q N -2.765 117.067 119.800 0.053 0.000 0.749 204 Q HA -0.323 4.053 4.340 0.061 0.000 0.182 204 Q C -0.488 175.630 176.000 0.196 0.000 1.126 204 Q CA 1.122 56.977 55.803 0.087 0.000 0.197 204 Q CB -0.654 28.121 28.738 0.063 0.000 5.540 204 Q HN -0.186 8.098 8.270 0.023 0.000 0.300 205 Y N -5.098 115.198 120.300 -0.007 0.000 4.236 205 Y HA -0.402 4.145 4.550 -0.005 0.000 0.220 205 Y C 0.210 176.109 175.900 -0.002 0.000 1.115 205 Y CA 0.263 58.361 58.100 -0.003 0.000 1.811 205 Y CB -1.981 36.480 38.460 0.002 0.000 1.581 205 Y HN 0.508 9.014 8.280 0.377 0.000 0.643 206 L N -5.760 115.526 121.223 0.105 0.000 3.970 206 L HA -0.415 3.949 4.340 0.040 0.000 0.425 206 L C -0.627 176.283 176.870 0.066 0.000 1.162 206 L CA 1.422 56.295 54.840 0.056 0.000 0.968 206 L CB -0.425 41.650 42.059 0.026 0.000 1.896 206 L HN 0.285 8.527 8.230 0.103 0.049 1.006 207 R N 0.000 120.557 120.500 0.094 0.000 2.786 207 R HA 0.000 4.384 4.340 0.074 0.000 0.208 207 R CA 0.000 56.148 56.100 0.079 0.000 0.921 207 R CB 0.000 30.355 30.300 0.091 0.000 0.687 207 R HN 0.000 8.193 8.270 0.123 0.151 0.535