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 3o60_1_B DATA FIRST_RESID 3 DATA SEQUENCE NYVKVHQPLN VDLRTQKTQT KLYTVLERFY VEDRTFESIS IKDLCEQARV DATA SEQUENCE SRATFYRHHK EIIQVIEVQI LRTXQYFSLE FDQIILTKEN IQRLILRTIQ DATA SEQUENCE KNPLLFQVIF WSRAENIFID VVSGEILRIS LLKEVSFSDS KFXPNCFARX DATA SEQUENCE ILSLAAEIQQ SNKDYTNDQL VELIQEAARF LQ 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 3 N HA 0.000 4.740 4.740 0.000 0.000 0.220 3 N C 0.000 175.214 175.510 -0.493 0.000 1.280 3 N CA 0.000 52.850 53.050 -0.334 0.000 0.885 3 N CB 0.000 38.408 38.487 -0.131 0.000 1.341 4 Y N 0.597 120.894 120.300 -0.005 0.000 2.562 4 Y HA 0.450 5.000 4.550 -0.001 0.000 0.363 4 Y C -0.546 175.357 175.900 0.005 0.000 0.991 4 Y CA -0.561 57.534 58.100 -0.007 0.000 1.121 4 Y CB 0.844 39.297 38.460 -0.011 0.000 1.159 4 Y HN 0.230 8.510 8.280 0.000 0.000 0.651 5 V N 0.102 120.080 119.914 0.107 0.000 2.495 5 V HA 0.735 4.854 4.120 -0.001 0.000 0.298 5 V C 0.079 176.233 176.094 0.100 0.000 1.031 5 V CA -1.488 60.867 62.300 0.092 0.000 0.871 5 V CB 1.142 33.006 31.823 0.069 0.000 0.988 5 V HN 0.399 8.589 8.190 0.000 0.000 0.432 6 K N 2.005 122.463 120.400 0.097 0.000 2.276 6 K HA 0.559 4.878 4.320 -0.001 0.000 0.283 6 K C 0.342 177.023 176.600 0.134 0.000 1.044 6 K CA -0.101 56.253 56.287 0.112 0.000 0.944 6 K CB 1.325 33.877 32.500 0.087 0.000 1.012 6 K HN 0.582 8.832 8.250 0.000 0.000 0.472 7 V N 1.582 121.608 119.914 0.187 0.000 3.565 7 V HA 0.046 4.165 4.120 -0.001 0.000 0.260 7 V C 1.010 177.200 176.094 0.161 0.000 1.231 7 V CA 0.451 62.856 62.300 0.175 0.000 1.100 7 V CB -0.823 31.145 31.823 0.243 0.000 0.807 7 V HN 0.990 9.180 8.190 0.000 0.000 0.454 8 H N 0.651 119.772 119.070 0.086 0.000 2.690 8 H HA 0.535 5.091 4.556 -0.001 0.000 0.365 8 H C 0.142 175.487 175.328 0.028 0.000 1.142 8 H CA 0.706 56.785 56.048 0.052 0.000 1.417 8 H CB 0.771 30.559 29.762 0.044 0.000 1.446 8 H HN 0.348 8.627 8.280 0.000 0.000 0.599 9 Q N 4.346 124.367 119.800 0.368 0.000 2.320 9 Q HA 0.327 4.666 4.340 -0.001 0.000 0.268 9 Q C -2.749 173.469 176.000 0.364 0.000 1.023 9 Q CA -2.147 53.815 55.803 0.265 0.000 0.744 9 Q CB 0.396 29.181 28.738 0.079 0.000 1.246 9 Q HN 0.654 8.924 8.270 0.000 0.000 0.462 10 P HA 0.202 4.622 4.420 0.000 0.000 0.266 10 P C -0.338 177.027 177.300 0.108 0.000 1.162 10 P CA 0.625 63.789 63.100 0.106 0.000 0.758 10 P CB 0.345 32.062 31.700 0.028 0.000 0.774 11 L N 0.165 121.439 121.223 0.086 0.000 2.495 11 L HA 0.599 4.939 4.340 -0.001 0.000 0.248 11 L C 0.674 177.553 176.870 0.014 0.000 1.229 11 L CA -0.448 54.412 54.840 0.035 0.000 0.942 11 L CB -0.722 41.343 42.059 0.011 0.000 1.242 11 L HN 0.572 8.802 8.230 0.000 0.000 0.484 12 N N 0.869 119.575 118.700 0.010 0.000 2.468 12 N HA 0.632 5.371 4.740 -0.001 0.000 0.265 12 N C -0.275 175.233 175.510 -0.003 0.000 1.199 12 N CA 0.568 53.619 53.050 0.002 0.000 0.928 12 N CB 1.302 39.790 38.487 0.001 0.000 1.059 12 N HN 1.151 9.531 8.380 0.000 0.000 0.467 13 V N 1.283 121.196 119.914 -0.003 0.000 3.098 13 V HA 0.316 4.436 4.120 -0.001 0.000 0.294 13 V C -1.328 174.766 176.094 -0.000 0.000 1.351 13 V CA -1.068 61.229 62.300 -0.005 0.000 0.999 13 V CB 2.166 33.984 31.823 -0.008 0.000 1.104 13 V HN 0.966 9.156 8.190 0.000 0.000 0.438 14 D N 2.098 122.499 120.400 0.001 0.000 2.383 14 D HA 0.234 4.874 4.640 -0.001 0.000 0.248 14 D C 1.202 177.509 176.300 0.011 0.000 1.170 14 D CA -0.699 53.304 54.000 0.006 0.000 0.977 14 D CB 0.956 41.759 40.800 0.005 0.000 1.120 14 D HN 0.380 8.750 8.370 0.000 0.000 0.481 15 L N -0.274 120.958 121.223 0.014 0.000 2.131 15 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 15 L C 2.282 179.167 176.870 0.025 0.000 1.092 15 L CA 1.427 56.279 54.840 0.020 0.000 0.759 15 L CB -0.239 41.832 42.059 0.020 0.000 0.903 15 L HN 0.461 8.691 8.230 0.000 0.000 0.435 16 R N -0.914 119.599 120.500 0.022 0.000 2.073 16 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 16 R C 2.139 178.458 176.300 0.032 0.000 1.134 16 R CA 2.245 58.361 56.100 0.027 0.000 0.952 16 R CB -0.154 30.159 30.300 0.022 0.000 0.850 16 R HN 0.419 8.689 8.270 0.000 0.000 0.433 17 T N 0.906 115.473 114.554 0.022 0.000 2.708 17 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 17 T C 1.732 176.456 174.700 0.039 0.000 1.037 17 T CA 1.371 63.483 62.100 0.020 0.000 1.146 17 T CB -0.207 68.659 68.868 -0.002 0.000 0.865 17 T HN 0.411 8.651 8.240 0.000 0.000 0.435 18 Q N 1.247 121.068 119.800 0.035 0.000 2.084 18 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 18 Q C 2.832 178.869 176.000 0.061 0.000 0.978 18 Q CA 1.669 57.499 55.803 0.046 0.000 0.844 18 Q CB -0.596 28.163 28.738 0.034 0.000 0.898 18 Q HN 0.665 8.935 8.270 0.000 0.000 0.426 19 K N 1.220 121.653 120.400 0.054 0.000 2.057 19 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 19 K C 2.042 178.686 176.600 0.072 0.000 1.049 19 K CA 1.916 58.238 56.287 0.058 0.000 0.931 19 K CB -1.631 30.896 32.500 0.045 0.000 0.714 19 K HN 0.364 8.614 8.250 0.000 0.000 0.440 20 T N -0.113 114.490 114.554 0.081 0.000 2.788 20 T HA -0.229 4.120 4.350 -0.001 0.000 0.268 20 T C 2.289 177.075 174.700 0.143 0.000 1.044 20 T CA 2.101 64.265 62.100 0.108 0.000 1.139 20 T CB -0.235 68.704 68.868 0.118 0.000 0.867 20 T HN 0.614 8.854 8.240 0.000 0.000 0.454 21 Q N 0.666 120.558 119.800 0.152 0.000 2.084 21 Q HA -0.063 4.276 4.340 -0.001 0.000 0.202 21 Q C 2.222 178.312 176.000 0.150 0.000 0.978 21 Q CA 2.528 58.433 55.803 0.170 0.000 0.844 21 Q CB -0.964 27.867 28.738 0.154 0.000 0.898 21 Q HN 0.545 8.815 8.270 0.000 0.000 0.426 22 T N 1.151 115.779 114.554 0.123 0.000 2.881 22 T HA -0.114 4.235 4.350 -0.001 0.000 0.270 22 T C 1.259 176.024 174.700 0.108 0.000 1.068 22 T CA 1.592 63.768 62.100 0.126 0.000 1.131 22 T CB -0.117 68.807 68.868 0.093 0.000 0.871 22 T HN 0.530 8.770 8.240 0.000 0.000 0.479 23 K N 0.231 120.681 120.400 0.083 0.000 2.242 23 K HA 0.227 4.546 4.320 -0.001 0.000 0.200 23 K C 1.878 178.499 176.600 0.035 0.000 1.050 23 K CA 0.076 56.390 56.287 0.044 0.000 0.981 23 K CB -0.249 32.274 32.500 0.039 0.000 0.795 23 K HN 0.110 8.360 8.250 0.000 0.000 0.477 24 L N 0.986 122.256 121.223 0.078 0.000 2.027 24 L HA -0.107 4.232 4.340 -0.001 0.000 0.206 24 L C 2.392 179.314 176.870 0.087 0.000 1.074 24 L CA 1.609 56.496 54.840 0.078 0.000 0.745 24 L CB -0.815 41.316 42.059 0.120 0.000 0.898 24 L HN 0.179 8.409 8.230 0.000 0.000 0.433 25 Y N -0.304 120.010 120.300 0.023 0.000 2.314 25 Y HA -0.168 4.382 4.550 -0.001 0.000 0.293 25 Y C 2.261 178.168 175.900 0.012 0.000 1.129 25 Y CA 1.851 59.968 58.100 0.029 0.000 1.201 25 Y CB -0.485 37.990 38.460 0.026 0.000 0.999 25 Y HN 0.123 8.403 8.280 0.000 0.000 0.541 26 T N -0.474 114.017 114.554 -0.104 0.000 3.072 26 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 26 T C 1.684 176.227 174.700 -0.261 0.000 1.127 26 T CA 1.256 63.232 62.100 -0.205 0.000 1.107 26 T CB -0.233 68.615 68.868 -0.034 0.000 0.910 26 T HN 0.225 8.465 8.240 0.000 0.000 0.513 27 V N 0.324 120.091 119.914 -0.245 0.000 3.307 27 V HA 0.201 4.320 4.120 -0.001 0.000 0.253 27 V C 2.230 178.065 176.094 -0.430 0.000 1.149 27 V CA 0.373 62.471 62.300 -0.336 0.000 1.112 27 V CB -0.285 31.363 31.823 -0.292 0.000 0.777 27 V HN 0.397 8.587 8.190 0.000 0.000 0.464 28 L N 0.137 121.218 121.223 -0.237 0.000 2.056 28 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 28 L C 2.605 179.445 176.870 -0.050 0.000 1.078 28 L CA 1.831 56.677 54.840 0.010 0.000 0.749 28 L CB -0.301 41.832 42.059 0.122 0.000 0.901 28 L HN 0.407 8.637 8.230 0.000 0.000 0.433 29 E N -0.192 119.817 120.200 -0.319 0.000 2.153 29 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 29 E C 2.335 178.845 176.600 -0.150 0.000 0.988 29 E CA 0.822 57.065 56.400 -0.261 0.000 0.811 29 E CB 0.166 29.628 29.700 -0.396 0.000 0.746 29 E HN 0.323 8.683 8.360 0.000 0.000 0.466 30 R N -0.520 119.851 120.500 -0.216 0.000 2.081 30 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 30 R C 2.244 178.490 176.300 -0.091 0.000 1.131 30 R CA 1.188 57.170 56.100 -0.197 0.000 0.960 30 R CB -0.301 29.821 30.300 -0.297 0.000 0.856 30 R HN 0.285 8.555 8.270 0.000 0.000 0.436 31 F N -0.712 119.220 119.950 -0.031 0.000 2.134 31 F HA -0.294 4.232 4.527 -0.001 0.000 0.299 31 F C 2.391 178.163 175.800 -0.046 0.000 1.097 31 F CA 1.026 59.047 58.000 0.035 0.000 1.264 31 F CB -0.399 38.711 39.000 0.184 0.000 1.001 31 F HN 0.122 8.422 8.300 0.000 0.000 0.479 32 Y N 0.702 120.869 120.300 -0.222 0.000 2.070 32 Y HA -0.267 4.282 4.550 -0.001 0.000 0.279 32 Y C 2.288 177.969 175.900 -0.366 0.000 1.134 32 Y CA 1.609 59.249 58.100 -0.765 0.000 1.113 32 Y CB -0.648 37.137 38.460 -1.125 0.000 0.981 32 Y HN -0.216 8.064 8.280 0.000 0.000 0.487 33 V N 1.329 120.968 119.914 -0.459 0.000 2.660 33 V HA -0.286 3.833 4.120 -0.001 0.000 0.257 33 V C 1.414 177.336 176.094 -0.286 0.000 1.088 33 V CA 2.193 64.227 62.300 -0.443 0.000 1.106 33 V CB -0.649 31.045 31.823 -0.215 0.000 0.686 33 V HN 0.497 8.687 8.190 0.000 0.000 0.481 34 E N -0.500 119.606 120.200 -0.157 0.000 2.403 34 E HA 0.049 4.399 4.350 -0.001 0.000 0.188 34 E C 0.348 176.934 176.600 -0.024 0.000 1.056 34 E CA 0.191 56.565 56.400 -0.044 0.000 0.892 34 E CB -0.051 29.689 29.700 0.068 0.000 1.049 34 E HN 0.576 8.936 8.360 0.000 0.000 0.465 35 D N 1.810 122.149 120.400 -0.102 0.000 2.699 35 D HA -0.181 4.458 4.640 -0.001 0.000 0.239 35 D C -0.615 175.735 176.300 0.084 0.000 1.136 35 D CA 0.849 54.828 54.000 -0.035 0.000 0.668 35 D CB -0.858 39.921 40.800 -0.036 0.000 1.060 35 D HN 0.374 8.744 8.370 0.000 0.000 0.429 36 R N -1.513 119.096 120.500 0.182 0.000 2.670 36 R HA 0.681 5.020 4.340 -0.001 0.000 0.289 36 R C 0.098 176.666 176.300 0.446 0.000 0.965 36 R CA -0.577 55.657 56.100 0.224 0.000 0.899 36 R CB 1.149 31.517 30.300 0.115 0.000 1.173 36 R HN 0.098 8.368 8.270 0.000 0.000 0.456 37 T N -0.199 114.524 114.554 0.281 0.000 2.932 37 T HA -0.008 4.341 4.350 -0.001 0.000 0.312 37 T C 0.632 175.377 174.700 0.075 0.000 1.071 37 T CA -0.488 61.747 62.100 0.226 0.000 1.128 37 T CB 0.385 69.290 68.868 0.062 0.000 0.984 37 T HN 0.564 8.804 8.240 0.000 0.000 0.549 38 F N 2.455 122.101 119.950 -0.505 0.000 2.186 38 F HA 0.074 4.601 4.527 -0.002 0.000 0.299 38 F C 2.638 178.219 175.800 -0.366 0.000 1.090 38 F CA 2.040 59.566 58.000 -0.790 0.000 1.307 38 F CB -1.017 37.201 39.000 -1.303 0.000 1.019 38 F HN 0.853 9.153 8.300 0.000 0.000 0.489 39 E N -0.160 119.891 120.200 -0.248 0.000 2.204 39 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 39 E C 1.943 178.386 176.600 -0.262 0.000 0.990 39 E CA 1.302 57.556 56.400 -0.243 0.000 0.821 39 E CB -1.455 28.179 29.700 -0.111 0.000 0.750 39 E HN 0.530 8.890 8.360 0.000 0.000 0.477 40 S N -0.491 115.076 115.700 -0.223 0.000 2.701 40 S HA 0.282 4.751 4.470 -0.001 0.000 0.220 40 S C 0.604 175.041 174.600 -0.271 0.000 0.954 40 S CA -0.355 57.729 58.200 -0.193 0.000 0.936 40 S CB -0.492 62.629 63.200 -0.133 0.000 0.777 40 S HN 0.446 8.756 8.310 0.000 0.000 0.518 41 I N 3.305 123.658 120.570 -0.361 0.000 2.291 41 I HA 0.227 4.397 4.170 -0.001 0.000 0.290 41 I C 0.638 176.575 176.117 -0.301 0.000 1.050 41 I CA -0.421 60.637 61.300 -0.404 0.000 1.245 41 I CB 1.112 38.848 38.000 -0.439 0.000 1.405 41 I HN 0.292 8.502 8.210 0.000 0.000 0.478 42 S N 6.691 122.254 115.700 -0.228 0.000 2.592 42 S HA 0.322 4.792 4.470 -0.001 0.000 0.271 42 S C 1.294 175.792 174.600 -0.171 0.000 1.326 42 S CA -0.660 57.442 58.200 -0.164 0.000 1.024 42 S CB 1.242 64.373 63.200 -0.116 0.000 0.921 42 S HN 0.512 8.822 8.310 0.000 0.000 0.527 43 I N 1.947 122.407 120.570 -0.184 0.000 2.226 43 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 43 I C 2.607 178.572 176.117 -0.253 0.000 1.100 43 I CA 1.479 62.592 61.300 -0.311 0.000 1.374 43 I CB -0.761 37.013 38.000 -0.377 0.000 1.057 43 I HN 0.843 9.053 8.210 0.000 0.000 0.413 44 K N 0.982 121.299 120.400 -0.139 0.000 2.063 44 K HA -0.272 4.047 4.320 -0.001 0.000 0.208 44 K C 1.919 178.483 176.600 -0.060 0.000 1.048 44 K CA 1.995 58.232 56.287 -0.084 0.000 0.928 44 K CB -0.100 32.377 32.500 -0.039 0.000 0.713 44 K HN 0.150 8.400 8.250 0.000 0.000 0.442 45 D N 0.526 120.897 120.400 -0.050 0.000 2.092 45 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 45 D C 1.921 178.284 176.300 0.105 0.000 0.994 45 D CA 1.014 55.028 54.000 0.024 0.000 0.828 45 D CB -0.119 40.661 40.800 -0.034 0.000 0.963 45 D HN 0.186 8.556 8.370 0.000 0.000 0.450 46 L N 0.144 121.406 121.223 0.065 0.000 2.027 46 L HA -0.110 4.229 4.340 -0.001 0.000 0.206 46 L C 2.545 179.384 176.870 -0.051 0.000 1.074 46 L CA 1.588 56.476 54.840 0.081 0.000 0.745 46 L CB -0.791 41.270 42.059 0.002 0.000 0.898 46 L HN 0.131 8.361 8.230 0.000 0.000 0.433 47 C N -0.032 119.177 119.300 -0.152 0.000 2.425 47 C HA -0.112 4.347 4.460 -0.001 0.000 0.277 47 C C 3.077 178.035 174.990 -0.052 0.000 1.280 47 C CA 1.206 60.140 59.018 -0.140 0.000 1.744 47 C CB -1.158 26.454 27.740 -0.214 0.000 1.989 47 C HN 0.741 8.971 8.230 0.000 0.000 0.491 48 E N -0.522 119.658 120.200 -0.034 0.000 2.077 48 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 48 E C 1.889 178.484 176.600 -0.009 0.000 0.989 48 E CA 1.417 57.811 56.400 -0.010 0.000 0.800 48 E CB -0.660 29.040 29.700 0.001 0.000 0.746 48 E HN 0.696 9.056 8.360 0.000 0.000 0.452 49 Q N -0.669 119.124 119.800 -0.012 0.000 2.170 49 Q HA 0.042 4.382 4.340 -0.001 0.000 0.203 49 Q C 2.300 178.271 176.000 -0.048 0.000 0.976 49 Q CA 1.474 57.255 55.803 -0.036 0.000 0.858 49 Q CB -0.280 28.413 28.738 -0.075 0.000 0.907 49 Q HN 0.607 8.877 8.270 0.000 0.000 0.433 50 A N 0.241 123.038 122.820 -0.039 0.000 2.251 50 A HA 0.100 4.419 4.320 -0.001 0.000 0.209 50 A C 0.364 177.948 177.584 -0.000 0.000 1.187 50 A CA -0.018 52.004 52.037 -0.025 0.000 0.823 50 A CB 0.003 18.997 19.000 -0.010 0.000 0.846 50 A HN 0.251 8.401 8.150 0.000 0.000 0.486 51 R N -1.934 118.566 120.500 -0.001 0.000 3.422 51 R HA -0.130 4.209 4.340 -0.001 0.000 0.267 51 R C -0.992 175.324 176.300 0.026 0.000 1.074 51 R CA 0.880 56.987 56.100 0.011 0.000 0.718 51 R CB -2.596 27.711 30.300 0.011 0.000 1.157 51 R HN 0.252 8.522 8.270 0.000 0.000 0.440 52 V N 0.739 120.671 119.914 0.029 0.000 2.495 52 V HA 0.458 4.577 4.120 -0.001 0.000 0.298 52 V C 0.576 176.701 176.094 0.051 0.000 1.031 52 V CA -0.335 61.997 62.300 0.055 0.000 0.871 52 V CB 2.117 33.989 31.823 0.081 0.000 0.988 52 V HN 0.404 8.594 8.190 0.000 0.000 0.432 53 S N 4.359 120.102 115.700 0.071 0.000 2.562 53 S HA 0.257 4.726 4.470 -0.001 0.000 0.281 53 S C 0.976 175.644 174.600 0.113 0.000 1.333 53 S CA -0.389 57.858 58.200 0.078 0.000 1.052 53 S CB 0.945 64.193 63.200 0.080 0.000 0.884 53 S HN 0.655 8.965 8.310 0.000 0.000 0.506 54 R N 2.254 122.821 120.500 0.111 0.000 2.096 54 R HA -0.037 4.302 4.340 -0.001 0.000 0.235 54 R C 2.585 179.074 176.300 0.316 0.000 1.127 54 R CA 1.554 57.750 56.100 0.159 0.000 0.968 54 R CB -1.008 29.407 30.300 0.192 0.000 0.861 54 R HN 0.852 9.122 8.270 0.000 0.000 0.440 55 A N 0.368 123.343 122.820 0.258 0.000 1.933 55 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 55 A C 2.073 179.785 177.584 0.212 0.000 1.175 55 A CA 2.023 54.208 52.037 0.246 0.000 0.628 55 A CB -0.933 18.155 19.000 0.147 0.000 0.814 55 A HN 0.420 8.570 8.150 0.000 0.000 0.444 56 T N -1.146 113.513 114.554 0.174 0.000 2.746 56 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 56 T C 1.692 176.492 174.700 0.167 0.000 1.039 56 T CA 1.413 63.596 62.100 0.138 0.000 1.142 56 T CB -0.526 68.414 68.868 0.120 0.000 0.866 56 T HN 0.484 8.724 8.240 0.000 0.000 0.444 57 F N 0.975 120.965 119.950 0.067 0.000 2.102 57 F HA -0.089 4.438 4.527 -0.001 0.000 0.298 57 F C 2.183 178.018 175.800 0.059 0.000 1.105 57 F CA 0.943 58.984 58.000 0.069 0.000 1.239 57 F CB -0.418 38.541 39.000 -0.069 0.000 0.991 57 F HN -0.002 8.298 8.300 0.000 0.000 0.474 58 Y N 0.850 121.302 120.300 0.253 0.000 2.181 58 Y HA -0.140 4.409 4.550 -0.002 0.000 0.288 58 Y C 2.959 178.837 175.900 -0.037 0.000 1.146 58 Y CA 2.301 60.465 58.100 0.107 0.000 1.164 58 Y CB -1.388 37.187 38.460 0.192 0.000 0.982 58 Y HN 0.096 8.376 8.280 0.000 0.000 0.515 59 R N -0.436 120.149 120.500 0.141 0.000 2.066 59 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 59 R C 2.297 178.553 176.300 -0.072 0.000 1.131 59 R CA 2.252 58.373 56.100 0.035 0.000 0.955 59 R CB -2.400 27.920 30.300 0.033 0.000 0.851 59 R HN 0.720 8.990 8.270 0.000 0.000 0.432 60 H N 0.054 119.032 119.070 -0.154 0.000 2.326 60 H HA 0.101 4.656 4.556 -0.001 0.000 0.301 60 H C 0.727 175.719 175.328 -0.560 0.000 1.081 60 H CA 1.096 56.927 56.048 -0.362 0.000 1.334 60 H CB -0.194 29.306 29.762 -0.436 0.000 1.385 60 H HN 0.684 8.964 8.280 0.000 0.000 0.504 61 H N -0.324 118.481 119.070 -0.443 0.000 2.539 61 H HA 0.435 4.991 4.556 -0.001 0.000 0.332 61 H C 1.313 176.306 175.328 -0.558 0.000 1.031 61 H CA 0.187 55.857 56.048 -0.630 0.000 1.206 61 H CB 1.716 30.785 29.762 -1.155 0.000 1.446 61 H HN 0.571 8.851 8.280 0.000 0.000 0.496 62 K N 3.084 123.426 120.400 -0.098 0.000 2.057 62 K HA -0.031 4.289 4.320 -0.001 0.000 0.206 62 K C 0.689 177.378 176.600 0.148 0.000 1.050 62 K CA 1.254 57.580 56.287 0.065 0.000 0.935 62 K CB 0.209 32.750 32.500 0.068 0.000 0.715 62 K HN 0.681 8.931 8.250 0.000 0.000 0.439 63 E N -1.806 118.461 120.200 0.110 0.000 2.393 63 E HA 0.399 4.748 4.350 -0.001 0.000 0.273 63 E C 0.726 177.501 176.600 0.292 0.000 0.918 63 E CA -0.550 55.986 56.400 0.226 0.000 0.773 63 E CB 1.897 31.693 29.700 0.160 0.000 1.275 63 E HN 0.052 8.412 8.360 0.000 0.000 0.451 64 I N 0.938 121.696 120.570 0.314 0.000 2.286 64 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 64 I C 2.392 178.665 176.117 0.259 0.000 1.115 64 I CA 1.204 62.664 61.300 0.267 0.000 1.392 64 I CB -0.103 37.944 38.000 0.079 0.000 1.065 64 I HN 0.578 8.788 8.210 0.000 0.000 0.418 65 I N 0.715 121.451 120.570 0.277 0.000 2.567 65 I HA -0.320 3.849 4.170 -0.001 0.000 0.257 65 I C 2.349 178.558 176.117 0.153 0.000 1.184 65 I CA 1.518 62.981 61.300 0.272 0.000 1.451 65 I CB -0.136 37.999 38.000 0.225 0.000 1.089 65 I HN 0.210 8.420 8.210 0.000 0.000 0.441 66 Q N -0.242 119.635 119.800 0.128 0.000 2.170 66 Q HA -0.182 4.157 4.340 -0.001 0.000 0.203 66 Q C 2.377 178.418 176.000 0.068 0.000 0.976 66 Q CA 2.215 58.077 55.803 0.098 0.000 0.858 66 Q CB -0.233 28.578 28.738 0.122 0.000 0.907 66 Q HN 0.697 8.967 8.270 0.000 0.000 0.433 67 V N -1.534 118.368 119.914 -0.019 0.000 2.343 67 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 67 V C 1.817 177.934 176.094 0.039 0.000 1.051 67 V CA 1.584 63.853 62.300 -0.052 0.000 1.036 67 V CB -0.439 31.354 31.823 -0.050 0.000 0.654 67 V HN 0.266 8.456 8.190 0.000 0.000 0.451 68 I N 1.017 121.639 120.570 0.088 0.000 2.286 68 I HA -0.195 3.974 4.170 -0.001 0.000 0.248 68 I C 2.740 178.840 176.117 -0.029 0.000 1.115 68 I CA 2.211 63.535 61.300 0.039 0.000 1.392 68 I CB -0.582 37.459 38.000 0.068 0.000 1.065 68 I HN 0.521 8.731 8.210 0.000 0.000 0.418 69 E N 0.670 120.871 120.200 0.002 0.000 2.077 69 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 69 E C 2.276 178.852 176.600 -0.040 0.000 0.989 69 E CA 1.638 58.027 56.400 -0.019 0.000 0.800 69 E CB 0.108 29.810 29.700 0.003 0.000 0.746 69 E HN 0.316 8.676 8.360 0.000 0.000 0.452 70 V N 1.013 120.922 119.914 -0.009 0.000 2.407 70 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 70 V C 2.536 178.586 176.094 -0.072 0.000 1.055 70 V CA 2.082 64.377 62.300 -0.008 0.000 1.049 70 V CB -0.681 31.193 31.823 0.085 0.000 0.662 70 V HN 0.283 8.473 8.190 0.000 0.000 0.455 71 Q N 0.261 119.975 119.800 -0.143 0.000 2.119 71 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 71 Q C 1.952 177.821 176.000 -0.218 0.000 0.972 71 Q CA 1.776 57.413 55.803 -0.276 0.000 0.847 71 Q CB -0.383 27.975 28.738 -0.634 0.000 0.903 71 Q HN 0.664 8.934 8.270 0.000 0.000 0.433 72 I N -0.215 120.249 120.570 -0.175 0.000 2.226 72 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 72 I C 2.014 178.048 176.117 -0.138 0.000 1.100 72 I CA 0.962 62.174 61.300 -0.147 0.000 1.374 72 I CB -0.273 37.660 38.000 -0.112 0.000 1.057 72 I HN 0.241 8.451 8.210 0.000 0.000 0.413 73 L N 0.346 121.497 121.223 -0.120 0.000 2.046 73 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 73 L C 2.807 179.626 176.870 -0.085 0.000 1.077 73 L CA 1.353 56.129 54.840 -0.107 0.000 0.747 73 L CB -0.558 41.451 42.059 -0.084 0.000 0.896 73 L HN 0.266 8.496 8.230 0.000 0.000 0.432 74 R N -0.238 120.220 120.500 -0.069 0.000 2.081 74 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 74 R C 0.994 177.313 176.300 0.032 0.000 1.131 74 R CA 1.140 57.218 56.100 -0.037 0.000 0.960 74 R CB -0.281 30.004 30.300 -0.026 0.000 0.856 74 R HN 0.208 8.478 8.270 0.000 0.000 0.436 78 Y N 0.065 120.391 120.300 0.043 0.000 2.200 78 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 78 Y C 1.952 177.924 175.900 0.119 0.000 1.137 78 Y CA 1.740 59.891 58.100 0.085 0.000 1.163 78 Y CB -0.156 38.356 38.460 0.086 0.000 0.988 78 Y HN 0.225 8.505 8.280 0.000 0.000 0.518 79 F N 0.962 121.009 119.950 0.162 0.000 2.120 79 F HA -0.311 4.215 4.527 -0.001 0.000 0.300 79 F C 2.458 178.338 175.800 0.133 0.000 1.095 79 F CA 1.803 59.877 58.000 0.123 0.000 1.249 79 F CB -0.466 38.564 39.000 0.050 0.000 0.995 79 F HN 0.020 8.320 8.300 0.000 0.000 0.480 80 S N 0.946 116.752 115.700 0.177 0.000 2.368 80 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 80 S C 2.486 177.193 174.600 0.179 0.000 1.030 80 S CA 1.722 59.985 58.200 0.105 0.000 0.999 80 S CB -1.619 61.542 63.200 -0.065 0.000 0.844 80 S HN 0.444 8.754 8.310 0.000 0.000 0.459 81 L N 1.723 123.075 121.223 0.215 0.000 2.017 81 L HA 0.063 4.403 4.340 -0.001 0.000 0.208 81 L C 2.630 179.595 176.870 0.158 0.000 1.073 81 L CA 2.591 57.646 54.840 0.359 0.000 0.745 81 L CB -1.859 40.398 42.059 0.330 0.000 0.894 81 L HN 0.520 8.750 8.230 0.000 0.000 0.432 82 E N -1.257 119.001 120.200 0.096 0.000 2.106 82 E HA -0.217 4.132 4.350 -0.001 0.000 0.192 82 E C 2.100 178.663 176.600 -0.062 0.000 0.984 82 E CA 1.212 57.618 56.400 0.010 0.000 0.806 82 E CB -0.199 29.499 29.700 -0.004 0.000 0.750 82 E HN 0.774 9.134 8.360 0.000 0.000 0.458 83 F N 1.960 121.749 119.950 -0.269 0.000 2.134 83 F HA -0.228 4.298 4.527 -0.002 0.000 0.299 83 F C 1.776 177.487 175.800 -0.149 0.000 1.097 83 F CA 1.727 59.514 58.000 -0.355 0.000 1.264 83 F CB -0.123 38.590 39.000 -0.479 0.000 1.001 83 F HN -0.025 8.275 8.300 0.000 0.000 0.479 84 D N 0.061 120.419 120.400 -0.070 0.000 2.117 84 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 84 D C 2.233 178.445 176.300 -0.147 0.000 0.987 84 D CA 1.417 55.344 54.000 -0.123 0.000 0.829 84 D CB -0.428 40.404 40.800 0.053 0.000 0.961 84 D HN 0.477 8.847 8.370 0.000 0.000 0.460 85 Q N 0.171 119.919 119.800 -0.087 0.000 2.084 85 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 85 Q C 0.926 176.864 176.000 -0.104 0.000 0.978 85 Q CA 0.502 56.263 55.803 -0.069 0.000 0.844 85 Q CB -0.146 28.574 28.738 -0.031 0.000 0.898 85 Q HN 0.433 8.703 8.270 0.000 0.000 0.426 86 I N -0.604 119.874 120.570 -0.152 0.000 2.813 86 I HA 0.043 4.212 4.170 -0.001 0.000 0.287 86 I C 0.137 176.154 176.117 -0.166 0.000 1.196 86 I CA -0.360 60.852 61.300 -0.146 0.000 1.421 86 I CB 0.312 38.215 38.000 -0.161 0.000 1.365 86 I HN -0.091 8.119 8.210 0.000 0.000 0.591 87 I N 5.260 125.763 120.570 -0.112 0.000 2.648 87 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 87 I C 0.081 176.118 176.117 -0.133 0.000 1.153 87 I CA 0.031 61.268 61.300 -0.104 0.000 1.426 87 I CB 0.165 38.128 38.000 -0.063 0.000 1.381 87 I HN 0.511 8.721 8.210 0.000 0.000 0.571 88 L N 6.763 127.896 121.223 -0.150 0.000 2.261 88 L HA 0.314 4.654 4.340 -0.001 0.000 0.289 88 L C 0.353 177.168 176.870 -0.091 0.000 1.059 88 L CA -0.080 54.664 54.840 -0.161 0.000 0.816 88 L CB 0.928 42.865 42.059 -0.204 0.000 1.191 88 L HN 0.778 9.008 8.230 0.000 0.000 0.431 89 T N -1.303 113.214 114.554 -0.062 0.000 2.883 89 T HA 0.441 4.790 4.350 -0.001 0.000 0.296 89 T C 0.742 175.435 174.700 -0.011 0.000 1.117 89 T CA -0.126 61.954 62.100 -0.033 0.000 1.006 89 T CB 1.916 70.769 68.868 -0.025 0.000 1.191 89 T HN 0.380 8.620 8.240 0.000 0.000 0.508 90 K N 0.389 120.787 120.400 -0.003 0.000 2.097 90 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 90 K C 1.923 178.531 176.600 0.014 0.000 1.049 90 K CA 2.277 58.568 56.287 0.007 0.000 0.933 90 K CB -1.225 31.277 32.500 0.004 0.000 0.717 90 K HN 0.934 9.184 8.250 0.000 0.000 0.442 91 E N 0.067 120.272 120.200 0.009 0.000 2.107 91 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 91 E C 1.946 178.558 176.600 0.021 0.000 0.982 91 E CA 1.134 57.542 56.400 0.014 0.000 0.809 91 E CB -0.135 29.570 29.700 0.007 0.000 0.756 91 E HN 0.548 8.908 8.360 0.000 0.000 0.459 92 N N 0.200 118.906 118.700 0.010 0.000 2.142 92 N HA -0.101 4.638 4.740 -0.001 0.000 0.186 92 N C 1.632 177.165 175.510 0.038 0.000 1.023 92 N CA 1.248 54.302 53.050 0.006 0.000 0.852 92 N CB -0.078 38.391 38.487 -0.030 0.000 0.998 92 N HN 0.192 8.572 8.380 0.000 0.000 0.424 93 I N 0.841 121.448 120.570 0.062 0.000 2.226 93 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 93 I C 2.280 178.497 176.117 0.166 0.000 1.100 93 I CA 1.149 62.546 61.300 0.163 0.000 1.374 93 I CB -0.282 37.839 38.000 0.200 0.000 1.057 93 I HN 0.188 8.398 8.210 0.000 0.000 0.413 94 Q N -0.086 119.769 119.800 0.092 0.000 2.084 94 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 94 Q C 2.436 178.487 176.000 0.085 0.000 0.978 94 Q CA 1.377 57.224 55.803 0.074 0.000 0.844 94 Q CB -0.086 28.673 28.738 0.036 0.000 0.898 94 Q HN 0.379 8.649 8.270 0.000 0.000 0.426 95 R N 0.050 120.593 120.500 0.071 0.000 2.148 95 R HA -0.005 4.334 4.340 -0.001 0.000 0.223 95 R C 2.218 178.572 176.300 0.091 0.000 1.088 95 R CA 0.436 56.575 56.100 0.065 0.000 0.985 95 R CB -0.063 30.262 30.300 0.041 0.000 0.880 95 R HN 0.298 8.568 8.270 0.000 0.000 0.451 96 L N 0.692 121.984 121.223 0.116 0.000 2.056 96 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 96 L C 1.976 179.014 176.870 0.279 0.000 1.078 96 L CA 1.378 56.308 54.840 0.149 0.000 0.749 96 L CB -0.096 42.024 42.059 0.102 0.000 0.901 96 L HN 0.219 8.449 8.230 0.000 0.000 0.433 97 I N -0.306 120.453 120.570 0.314 0.000 2.226 97 I HA -0.350 3.819 4.170 -0.001 0.000 0.245 97 I C 2.453 178.674 176.117 0.173 0.000 1.100 97 I CA 1.121 62.586 61.300 0.275 0.000 1.374 97 I CB -0.192 37.911 38.000 0.172 0.000 1.057 97 I HN 0.274 8.484 8.210 0.000 0.000 0.413 98 L N 0.226 121.523 121.223 0.124 0.000 2.046 98 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 98 L C 2.785 179.711 176.870 0.094 0.000 1.077 98 L CA 1.464 56.355 54.840 0.084 0.000 0.747 98 L CB -0.558 41.538 42.059 0.062 0.000 0.896 98 L HN 0.220 8.450 8.230 0.000 0.000 0.432 99 R N -0.739 119.825 120.500 0.106 0.000 2.120 99 R HA -0.119 4.220 4.340 -0.001 0.000 0.234 99 R C 2.208 178.579 176.300 0.118 0.000 1.123 99 R CA 1.792 57.950 56.100 0.098 0.000 0.975 99 R CB -0.524 29.826 30.300 0.085 0.000 0.866 99 R HN 0.405 8.675 8.270 0.000 0.000 0.446 100 T N 1.278 115.932 114.554 0.168 0.000 2.746 100 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 100 T C 1.942 176.758 174.700 0.194 0.000 1.039 100 T CA 1.148 63.361 62.100 0.189 0.000 1.142 100 T CB -0.155 68.868 68.868 0.258 0.000 0.866 100 T HN 0.140 8.380 8.240 0.000 0.000 0.444 101 I N 1.173 121.856 120.570 0.189 0.000 2.252 101 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 101 I C 2.800 179.001 176.117 0.139 0.000 1.102 101 I CA 1.217 62.632 61.300 0.192 0.000 1.385 101 I CB -0.399 37.612 38.000 0.019 0.000 1.064 101 I HN 0.235 8.445 8.210 0.000 0.000 0.414 102 Q N 0.719 120.577 119.800 0.098 0.000 2.311 102 Q HA -0.117 4.223 4.340 -0.001 0.000 0.203 102 Q C 2.524 178.571 176.000 0.080 0.000 0.954 102 Q CA 1.401 57.252 55.803 0.080 0.000 0.885 102 Q CB -0.200 28.578 28.738 0.067 0.000 0.963 102 Q HN 0.606 8.876 8.270 0.000 0.000 0.471 103 K N 1.724 122.174 120.400 0.083 0.000 2.228 103 K HA -0.040 4.280 4.320 -0.001 0.000 0.202 103 K C 0.482 177.117 176.600 0.057 0.000 1.051 103 K CA 1.210 57.532 56.287 0.058 0.000 0.960 103 K CB -0.342 32.181 32.500 0.037 0.000 0.743 103 K HN 0.402 8.652 8.250 0.000 0.000 0.458 104 N N -0.360 118.396 118.700 0.093 0.000 2.573 104 N HA 0.312 5.052 4.740 -0.001 0.000 0.262 104 N C -2.854 172.748 175.510 0.154 0.000 1.029 104 N CA -2.313 50.787 53.050 0.083 0.000 0.882 104 N CB 1.978 40.478 38.487 0.021 0.000 1.204 104 N HN -0.124 8.256 8.380 0.000 0.000 0.519 105 P HA 0.179 4.599 4.420 0.000 0.000 0.232 105 P C 1.210 178.588 177.300 0.131 0.000 1.170 105 P CA 0.021 63.217 63.100 0.159 0.000 0.824 105 P CB 0.885 32.651 31.700 0.110 0.000 0.896 106 L N -0.833 120.442 121.223 0.088 0.000 2.217 106 L HA -0.056 4.283 4.340 -0.001 0.000 0.211 106 L C 2.143 179.015 176.870 0.004 0.000 1.107 106 L CA 1.219 56.100 54.840 0.068 0.000 0.783 106 L CB -0.867 41.239 42.059 0.079 0.000 0.919 106 L HN 0.079 8.309 8.230 0.000 0.000 0.442 107 L N -1.162 120.046 121.223 -0.026 0.000 1.976 107 L HA -0.268 4.071 4.340 -0.001 0.000 0.209 107 L C 2.597 179.305 176.870 -0.271 0.000 1.071 107 L CA 1.672 56.421 54.840 -0.152 0.000 0.746 107 L CB -0.387 41.490 42.059 -0.302 0.000 0.890 107 L HN 0.099 8.329 8.230 0.000 0.000 0.432 108 F N 0.415 120.233 119.950 -0.220 0.000 2.161 108 F HA -0.283 4.243 4.527 -0.001 0.000 0.300 108 F C 2.755 178.312 175.800 -0.405 0.000 1.089 108 F CA 1.503 59.244 58.000 -0.432 0.000 1.282 108 F CB -0.546 38.244 39.000 -0.349 0.000 1.010 108 F HN 0.214 8.514 8.300 0.000 0.000 0.485 109 Q N -0.587 119.208 119.800 -0.009 0.000 2.084 109 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 109 Q C 2.383 178.208 176.000 -0.291 0.000 0.978 109 Q CA 1.660 57.445 55.803 -0.030 0.000 0.844 109 Q CB -0.739 28.002 28.738 0.006 0.000 0.898 109 Q HN 0.278 8.548 8.270 0.000 0.000 0.426 110 V N 1.063 120.717 119.914 -0.433 0.000 2.343 110 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 110 V C 2.124 178.161 176.094 -0.095 0.000 1.051 110 V CA 1.508 63.608 62.300 -0.334 0.000 1.036 110 V CB -0.342 31.376 31.823 -0.175 0.000 0.654 110 V HN 0.325 8.515 8.190 0.000 0.000 0.451 111 I N -1.058 119.370 120.570 -0.236 0.000 2.179 111 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 111 I C 2.225 178.217 176.117 -0.209 0.000 1.088 111 I CA 1.680 62.801 61.300 -0.298 0.000 1.357 111 I CB -0.319 37.358 38.000 -0.540 0.000 1.051 111 I HN 0.226 8.436 8.210 0.000 0.000 0.409 112 F N -0.598 119.341 119.950 -0.019 0.000 2.171 112 F HA -0.229 4.298 4.527 -0.001 0.000 0.300 112 F C 2.152 177.959 175.800 0.011 0.000 1.090 112 F CA 0.820 58.818 58.000 -0.004 0.000 1.293 112 F CB -1.272 37.742 39.000 0.023 0.000 1.013 112 F HN 0.236 8.536 8.300 0.000 0.000 0.486 113 W N 1.609 122.888 121.300 -0.035 0.000 2.363 113 W HA -0.187 4.472 4.660 -0.002 0.000 0.296 113 W C 2.290 178.677 176.519 -0.219 0.000 1.212 113 W CA 2.149 59.441 57.345 -0.088 0.000 1.260 113 W CB -0.515 28.821 29.460 -0.207 0.000 1.131 113 W HN -0.010 8.170 8.180 0.000 0.000 0.530 114 S N 0.341 115.749 115.700 -0.486 0.000 2.593 114 S HA 0.153 4.622 4.470 -0.001 0.000 0.217 114 S C 0.583 174.863 174.600 -0.533 0.000 0.966 114 S CA 0.298 57.796 58.200 -1.170 0.000 0.914 114 S CB -0.335 62.056 63.200 -1.349 0.000 0.776 114 S HN 0.359 8.669 8.310 0.000 0.000 0.523 115 R N 0.020 120.387 120.500 -0.222 0.000 3.422 115 R HA -0.181 4.158 4.340 -0.001 0.000 0.267 115 R C 0.478 176.745 176.300 -0.056 0.000 1.074 115 R CA 0.583 56.641 56.100 -0.071 0.000 0.718 115 R CB -2.381 27.885 30.300 -0.057 0.000 1.157 115 R HN 0.591 8.861 8.270 0.000 0.000 0.440 116 A N -0.068 122.711 122.820 -0.069 0.000 2.460 116 A HA 0.154 4.474 4.320 -0.001 0.000 0.258 116 A C 1.453 179.055 177.584 0.030 0.000 1.300 116 A CA -0.066 51.946 52.037 -0.041 0.000 0.913 116 A CB 0.174 19.121 19.000 -0.089 0.000 1.031 116 A HN 0.344 8.494 8.150 0.000 0.000 0.512 117 E N 0.716 120.961 120.200 0.075 0.000 2.077 117 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 117 E C 1.540 178.229 176.600 0.148 0.000 0.989 117 E CA 1.428 57.910 56.400 0.138 0.000 0.800 117 E CB -0.150 29.672 29.700 0.204 0.000 0.746 117 E HN 0.517 8.877 8.360 0.000 0.000 0.452 118 N N 0.299 119.056 118.700 0.094 0.000 2.120 118 N HA -0.097 4.642 4.740 -0.001 0.000 0.188 118 N C 1.824 177.374 175.510 0.066 0.000 1.024 118 N CA 0.860 53.953 53.050 0.071 0.000 0.852 118 N CB -0.147 38.365 38.487 0.041 0.000 1.003 118 N HN 0.195 8.575 8.380 0.000 0.000 0.424 119 I N 0.080 120.687 120.570 0.062 0.000 2.226 119 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 119 I C 2.074 178.216 176.117 0.042 0.000 1.100 119 I CA 0.808 62.130 61.300 0.037 0.000 1.374 119 I CB -0.189 37.829 38.000 0.030 0.000 1.057 119 I HN 0.005 8.215 8.210 0.000 0.000 0.413 120 F N 1.656 121.571 119.950 -0.059 0.000 2.134 120 F HA -0.237 4.289 4.527 -0.001 0.000 0.299 120 F C 2.322 178.091 175.800 -0.051 0.000 1.097 120 F CA 1.690 59.645 58.000 -0.075 0.000 1.264 120 F CB -0.108 38.845 39.000 -0.078 0.000 1.001 120 F HN -0.100 8.200 8.300 0.000 0.000 0.479 121 I N 0.648 121.307 120.570 0.148 0.000 2.226 121 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 121 I C 2.210 178.276 176.117 -0.085 0.000 1.100 121 I CA 1.959 63.283 61.300 0.040 0.000 1.374 121 I CB -1.135 36.912 38.000 0.079 0.000 1.057 121 I HN 0.272 8.482 8.210 0.000 0.000 0.413 122 D N 1.486 121.849 120.400 -0.063 0.000 2.097 122 D HA -0.146 4.493 4.640 -0.001 0.000 0.195 122 D C 2.098 178.324 176.300 -0.124 0.000 0.989 122 D CA 1.504 55.458 54.000 -0.076 0.000 0.827 122 D CB -0.281 40.491 40.800 -0.046 0.000 0.966 122 D HN 0.107 8.477 8.370 0.000 0.000 0.456 123 V N 0.054 119.867 119.914 -0.168 0.000 2.270 123 V HA -0.184 3.935 4.120 -0.001 0.000 0.245 123 V C 2.810 178.732 176.094 -0.287 0.000 1.043 123 V CA 1.502 63.674 62.300 -0.212 0.000 1.014 123 V CB -0.350 31.333 31.823 -0.234 0.000 0.645 123 V HN 0.175 8.365 8.190 0.000 0.000 0.447 124 V N 0.789 120.430 119.914 -0.455 0.000 2.343 124 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 124 V C 2.757 178.684 176.094 -0.278 0.000 1.051 124 V CA 2.276 64.285 62.300 -0.485 0.000 1.036 124 V CB -0.736 30.611 31.823 -0.793 0.000 0.654 124 V HN 0.776 8.966 8.190 0.000 0.000 0.451 125 S N 1.021 116.597 115.700 -0.207 0.000 2.368 125 S HA -0.122 4.348 4.470 -0.001 0.000 0.225 125 S C 2.128 176.670 174.600 -0.095 0.000 1.030 125 S CA 1.566 59.691 58.200 -0.124 0.000 0.999 125 S CB -0.962 62.172 63.200 -0.111 0.000 0.844 125 S HN 0.536 8.846 8.310 0.000 0.000 0.459 126 G N 1.602 110.340 108.800 -0.104 0.000 2.442 126 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.219 126 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.219 126 G C 1.502 176.362 174.900 -0.066 0.000 1.141 126 G CA 0.815 45.872 45.100 -0.072 0.000 0.763 126 G HN 0.525 8.815 8.290 0.000 0.000 0.554 127 E N 0.243 120.379 120.200 -0.106 0.000 2.274 127 E HA 0.055 4.404 4.350 -0.001 0.000 0.194 127 E C 2.506 179.053 176.600 -0.088 0.000 0.996 127 E CA 0.122 56.456 56.400 -0.110 0.000 0.840 127 E CB -0.018 29.584 29.700 -0.164 0.000 0.772 127 E HN 0.507 8.867 8.360 0.000 0.000 0.491 128 I N 0.402 120.932 120.570 -0.067 0.000 2.439 128 I HA -0.210 3.959 4.170 -0.001 0.000 0.251 128 I C 2.211 178.392 176.117 0.105 0.000 1.139 128 I CA 0.335 61.640 61.300 0.008 0.000 1.438 128 I CB -0.040 37.993 38.000 0.055 0.000 1.085 128 I HN 0.095 8.305 8.210 0.000 0.000 0.427 129 L N 1.276 122.548 121.223 0.081 0.000 1.982 129 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 129 L C 2.746 179.674 176.870 0.097 0.000 1.078 129 L CA 1.736 56.663 54.840 0.146 0.000 0.749 129 L CB -0.880 41.233 42.059 0.090 0.000 0.894 129 L HN 0.123 8.353 8.230 0.000 0.000 0.436 130 R N -0.202 120.321 120.500 0.039 0.000 2.159 130 R HA -0.290 4.049 4.340 -0.001 0.000 0.249 130 R C 2.282 178.595 176.300 0.021 0.000 1.136 130 R CA 2.841 58.953 56.100 0.020 0.000 0.951 130 R CB -1.004 29.292 30.300 -0.007 0.000 0.876 130 R HN 0.477 8.747 8.270 0.000 0.000 0.440 131 I N 1.237 121.806 120.570 -0.002 0.000 2.208 131 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 131 I C 2.327 178.469 176.117 0.041 0.000 1.097 131 I CA 1.871 63.166 61.300 -0.008 0.000 1.363 131 I CB -0.043 37.891 38.000 -0.110 0.000 1.051 131 I HN 0.265 8.475 8.210 0.000 0.000 0.413 132 S N 0.192 115.929 115.700 0.063 0.000 2.428 132 S HA -0.042 4.427 4.470 -0.001 0.000 0.230 132 S C 1.942 176.543 174.600 0.002 0.000 1.014 132 S CA 0.848 59.068 58.200 0.033 0.000 0.957 132 S CB -0.322 62.906 63.200 0.045 0.000 0.784 132 S HN 0.359 8.669 8.310 0.000 0.000 0.499 133 L N 1.027 122.269 121.223 0.031 0.000 2.056 133 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 133 L C 2.225 179.106 176.870 0.018 0.000 1.078 133 L CA 1.034 55.886 54.840 0.020 0.000 0.749 133 L CB -0.610 41.469 42.059 0.033 0.000 0.901 133 L HN 0.308 8.538 8.230 0.000 0.000 0.433 134 L N -0.377 120.865 121.223 0.032 0.000 2.083 134 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 134 L C 2.125 179.019 176.870 0.040 0.000 1.083 134 L CA 1.125 55.989 54.840 0.041 0.000 0.752 134 L CB -0.397 41.698 42.059 0.060 0.000 0.899 134 L HN 0.209 8.439 8.230 0.000 0.000 0.433 135 K N 0.175 120.600 120.400 0.041 0.000 2.417 135 K HA 0.072 4.391 4.320 -0.001 0.000 0.196 135 K C -0.087 176.507 176.600 -0.009 0.000 1.023 135 K CA 0.017 56.324 56.287 0.032 0.000 1.122 135 K CB 0.341 32.889 32.500 0.079 0.000 0.850 135 K HN 0.221 8.471 8.250 0.000 0.000 0.521 136 E N 0.727 120.915 120.200 -0.021 0.000 2.320 136 E HA -0.166 4.184 4.350 -0.001 0.000 0.234 136 E C -1.011 175.543 176.600 -0.076 0.000 1.183 136 E CA 0.120 56.496 56.400 -0.041 0.000 0.713 136 E CB -1.117 28.564 29.700 -0.031 0.000 1.226 136 E HN -0.056 8.304 8.360 0.000 0.000 0.382 137 V N 0.957 120.795 119.914 -0.126 0.000 2.630 137 V HA 0.435 4.554 4.120 -0.001 0.000 0.305 137 V C 0.327 176.209 176.094 -0.354 0.000 1.046 137 V CA -0.423 61.743 62.300 -0.223 0.000 0.934 137 V CB 2.198 33.851 31.823 -0.283 0.000 1.003 137 V HN 0.239 8.429 8.190 0.000 0.000 0.451 138 S N 3.587 119.085 115.700 -0.337 0.000 2.482 138 S HA 0.760 5.230 4.470 -0.001 0.000 0.303 138 S C -1.093 173.364 174.600 -0.237 0.000 1.091 138 S CA -0.481 57.566 58.200 -0.255 0.000 1.057 138 S CB 1.288 64.435 63.200 -0.089 0.000 1.031 138 S HN 0.376 8.686 8.310 0.000 0.000 0.485 139 F N 1.920 121.909 119.950 0.064 0.000 2.426 139 F HA 0.393 4.919 4.527 -0.001 0.000 0.348 139 F C 1.698 177.526 175.800 0.046 0.000 1.124 139 F CA -1.403 56.640 58.000 0.072 0.000 1.008 139 F CB 1.169 40.218 39.000 0.081 0.000 1.139 139 F HN 0.650 8.950 8.300 0.000 0.000 0.452 140 S N 0.878 116.739 115.700 0.268 0.000 2.407 140 S HA -0.258 4.211 4.470 -0.001 0.000 0.244 140 S C 0.520 175.177 174.600 0.095 0.000 1.077 140 S CA 1.995 60.270 58.200 0.125 0.000 1.159 140 S CB -0.284 62.959 63.200 0.071 0.000 1.045 140 S HN 0.719 9.029 8.310 0.000 0.000 0.438 141 D N -0.119 120.341 120.400 0.100 0.000 2.471 141 D HA 0.392 5.031 4.640 -0.001 0.000 0.245 141 D C 0.744 177.101 176.300 0.095 0.000 1.116 141 D CA 0.013 54.048 54.000 0.059 0.000 0.853 141 D CB 1.522 42.315 40.800 -0.011 0.000 1.123 141 D HN 0.085 8.455 8.370 0.000 0.000 0.540 142 S N 3.755 119.512 115.700 0.095 0.000 2.565 142 S HA -0.321 4.148 4.470 -0.001 0.000 0.310 142 S C 1.603 176.250 174.600 0.079 0.000 1.244 142 S CA 2.397 60.655 58.200 0.097 0.000 1.170 142 S CB -0.651 62.586 63.200 0.062 0.000 1.179 142 S HN 0.786 9.096 8.310 0.000 0.000 0.441 143 K N -0.632 119.800 120.400 0.054 0.000 2.788 143 K HA 0.610 4.929 4.320 -0.001 0.000 0.190 143 K C -0.561 176.053 176.600 0.023 0.000 1.143 143 K CA -0.180 56.118 56.287 0.017 0.000 1.099 143 K CB -0.245 32.268 32.500 0.021 0.000 0.767 143 K HN 0.350 8.600 8.250 0.000 0.000 0.466 147 N N 0.372 118.869 118.700 -0.338 0.000 2.132 147 N HA -0.194 4.546 4.740 -0.001 0.000 0.191 147 N C 1.825 177.119 175.510 -0.361 0.000 1.015 147 N CA 1.634 54.498 53.050 -0.309 0.000 0.864 147 N CB -1.093 37.197 38.487 -0.329 0.000 1.006 147 N HN 0.543 8.923 8.380 0.000 0.000 0.430 148 C N 0.261 119.208 119.300 -0.587 0.000 2.413 148 C HA -0.075 4.384 4.460 -0.001 0.000 0.276 148 C C 2.374 177.216 174.990 -0.248 0.000 1.236 148 C CA 0.427 59.146 59.018 -0.499 0.000 1.735 148 C CB -1.561 25.806 27.740 -0.622 0.000 2.031 148 C HN 0.274 8.504 8.230 0.000 0.000 0.474 149 F N 2.315 122.185 119.950 -0.134 0.000 2.134 149 F HA 0.087 4.613 4.527 -0.001 0.000 0.299 149 F C 2.791 178.566 175.800 -0.041 0.000 1.097 149 F CA 1.422 59.382 58.000 -0.067 0.000 1.264 149 F CB -1.467 37.498 39.000 -0.058 0.000 1.001 149 F HN 0.342 8.642 8.300 0.000 0.000 0.479 150 A N -0.093 122.796 122.820 0.116 0.000 1.898 150 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 150 A C 1.788 179.458 177.584 0.143 0.000 1.181 150 A CA 0.559 52.659 52.037 0.106 0.000 0.620 150 A CB -0.504 18.507 19.000 0.017 0.000 0.819 150 A HN 0.158 8.308 8.150 0.000 0.000 0.442 154 L N 1.601 122.884 121.223 0.099 0.000 2.081 154 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 154 L C 2.220 179.082 176.870 -0.014 0.000 1.080 154 L CA 2.658 57.487 54.840 -0.020 0.000 0.754 154 L CB -0.142 41.967 42.059 0.084 0.000 0.893 154 L HN 0.420 8.650 8.230 0.000 0.000 0.433 155 S N -0.877 114.821 115.700 -0.002 0.000 2.489 155 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 155 S C 1.761 176.314 174.600 -0.079 0.000 0.995 155 S CA 0.371 58.550 58.200 -0.036 0.000 0.934 155 S CB -0.030 63.152 63.200 -0.030 0.000 0.771 155 S HN 0.395 8.705 8.310 0.000 0.000 0.522 156 L N 1.072 122.238 121.223 -0.095 0.000 2.095 156 L HA 0.085 4.424 4.340 -0.001 0.000 0.204 156 L C 2.753 179.503 176.870 -0.200 0.000 1.080 156 L CA 0.967 55.731 54.840 -0.126 0.000 0.759 156 L CB -0.550 41.449 42.059 -0.100 0.000 0.914 156 L HN 0.386 8.616 8.230 0.000 0.000 0.439 157 A N -0.182 122.439 122.820 -0.333 0.000 1.908 157 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 157 A C 2.411 179.829 177.584 -0.277 0.000 1.181 157 A CA 1.795 53.475 52.037 -0.595 0.000 0.627 157 A CB -0.794 17.227 19.000 -1.630 0.000 0.818 157 A HN 0.488 8.638 8.150 0.000 0.000 0.445 158 A N -0.485 122.280 122.820 -0.092 0.000 1.902 158 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 158 A C 1.983 179.515 177.584 -0.087 0.000 1.181 158 A CA 2.106 54.122 52.037 -0.035 0.000 0.623 158 A CB -0.459 18.393 19.000 -0.248 0.000 0.818 158 A HN 0.552 8.702 8.150 0.000 0.000 0.443 159 E N 0.247 120.385 120.200 -0.103 0.000 2.028 159 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 159 E C 1.747 178.314 176.600 -0.055 0.000 0.988 159 E CA 1.348 57.695 56.400 -0.087 0.000 0.799 159 E CB -0.402 29.231 29.700 -0.112 0.000 0.755 159 E HN 0.577 8.937 8.360 0.000 0.000 0.447 160 I N 0.799 121.324 120.570 -0.074 0.000 2.185 160 I HA -0.342 3.828 4.170 -0.001 0.000 0.246 160 I C 2.574 178.711 176.117 0.034 0.000 1.088 160 I CA 1.917 63.207 61.300 -0.016 0.000 1.347 160 I CB -0.313 37.660 38.000 -0.045 0.000 1.041 160 I HN 0.361 8.571 8.210 0.000 0.000 0.415 161 Q N 0.441 120.253 119.800 0.020 0.000 2.444 161 Q HA -0.182 4.158 4.340 -0.001 0.000 0.206 161 Q C 1.932 177.967 176.000 0.057 0.000 0.948 161 Q CA 0.614 56.452 55.803 0.059 0.000 0.946 161 Q CB 0.170 28.968 28.738 0.099 0.000 1.027 161 Q HN 0.480 8.750 8.270 0.000 0.000 0.513 162 Q N 0.550 120.370 119.800 0.035 0.000 2.353 162 Q HA 0.049 4.388 4.340 -0.001 0.000 0.240 162 Q C 0.159 176.181 176.000 0.037 0.000 0.868 162 Q CA 0.577 56.395 55.803 0.025 0.000 0.944 162 Q CB 0.415 29.146 28.738 -0.012 0.000 1.104 162 Q HN 0.240 8.510 8.270 0.000 0.000 0.531 163 S N 0.992 116.728 115.700 0.059 0.000 2.523 163 S HA 0.142 4.612 4.470 -0.001 0.000 0.275 163 S C 0.873 175.516 174.600 0.071 0.000 1.281 163 S CA -0.017 58.233 58.200 0.085 0.000 1.050 163 S CB 0.453 63.755 63.200 0.170 0.000 0.937 163 S HN 0.486 8.796 8.310 0.000 0.000 0.492 164 N N 2.612 121.340 118.700 0.047 0.000 2.137 164 N HA -0.127 4.613 4.740 -0.001 0.000 0.190 164 N C 0.816 176.332 175.510 0.010 0.000 1.017 164 N CA 1.030 54.095 53.050 0.025 0.000 0.859 164 N CB -0.770 37.724 38.487 0.011 0.000 1.002 164 N HN 0.830 9.210 8.380 0.000 0.000 0.428 165 K N 1.273 121.672 120.400 -0.001 0.000 2.230 165 K HA 0.112 4.431 4.320 -0.001 0.000 0.253 165 K C -0.448 176.092 176.600 -0.101 0.000 1.008 165 K CA 0.125 56.350 56.287 -0.104 0.000 0.910 165 K CB 0.188 32.545 32.500 -0.239 0.000 0.994 165 K HN 0.144 8.394 8.250 0.000 0.000 0.495 166 D N 0.419 120.707 120.400 -0.187 0.000 2.308 166 D HA 0.346 4.986 4.640 -0.001 0.000 0.242 166 D C -1.242 174.934 176.300 -0.206 0.000 1.059 166 D CA 0.024 53.963 54.000 -0.102 0.000 0.830 166 D CB 0.893 41.658 40.800 -0.058 0.000 1.161 166 D HN 0.458 8.828 8.370 0.000 0.000 0.494 167 Y N 0.966 121.268 120.300 0.002 0.000 2.334 167 Y HA 0.151 4.701 4.550 -0.001 0.000 0.336 167 Y C 1.281 177.183 175.900 0.003 0.000 0.960 167 Y CA -0.691 57.410 58.100 0.001 0.000 1.164 167 Y CB 1.559 40.017 38.460 -0.003 0.000 1.155 167 Y HN 0.168 8.448 8.280 0.000 0.000 0.478 168 T N -0.502 114.122 114.554 0.118 0.000 2.813 168 T HA 0.087 4.436 4.350 -0.001 0.000 0.297 168 T C 1.022 175.781 174.700 0.098 0.000 1.036 168 T CA -0.167 61.981 62.100 0.081 0.000 1.044 168 T CB 0.590 69.485 68.868 0.045 0.000 0.993 168 T HN 0.799 9.039 8.240 0.000 0.000 0.535 169 N N 0.861 119.601 118.700 0.067 0.000 2.166 169 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 169 N C 1.194 176.735 175.510 0.051 0.000 1.019 169 N CA 1.250 54.334 53.050 0.057 0.000 0.856 169 N CB -0.094 38.421 38.487 0.046 0.000 0.993 169 N HN 0.636 9.016 8.380 0.000 0.000 0.426 170 D N 0.639 121.067 120.400 0.047 0.000 2.144 170 D HA -0.161 4.478 4.640 -0.001 0.000 0.199 170 D C 2.560 178.891 176.300 0.052 0.000 0.984 170 D CA 1.304 55.327 54.000 0.038 0.000 0.834 170 D CB -0.611 40.206 40.800 0.030 0.000 0.955 170 D HN 0.447 8.817 8.370 0.000 0.000 0.465 171 Q N 0.891 120.741 119.800 0.083 0.000 2.020 171 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 171 Q C 2.486 178.560 176.000 0.122 0.000 0.982 171 Q CA 1.155 57.041 55.803 0.138 0.000 0.838 171 Q CB -1.084 27.792 28.738 0.231 0.000 0.899 171 Q HN 0.354 8.624 8.270 0.000 0.000 0.423 172 L N 0.209 121.488 121.223 0.092 0.000 2.046 172 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 172 L C 2.631 179.494 176.870 -0.013 0.000 1.077 172 L CA 1.164 56.001 54.840 -0.005 0.000 0.747 172 L CB -0.597 41.453 42.059 -0.014 0.000 0.896 172 L HN 0.335 8.565 8.230 0.000 0.000 0.432 173 V N 0.510 120.430 119.914 0.010 0.000 2.407 173 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 173 V C 3.043 179.133 176.094 -0.006 0.000 1.055 173 V CA 2.220 64.522 62.300 0.004 0.000 1.049 173 V CB -0.936 30.896 31.823 0.014 0.000 0.662 173 V HN 0.626 8.816 8.190 0.000 0.000 0.455 174 E N 0.033 120.233 120.200 0.001 0.000 2.110 174 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 174 E C 2.032 178.613 176.600 -0.032 0.000 0.988 174 E CA 1.689 58.083 56.400 -0.010 0.000 0.804 174 E CB -0.601 29.103 29.700 0.006 0.000 0.745 174 E HN 0.645 9.005 8.360 0.000 0.000 0.458 175 L N -0.174 121.029 121.223 -0.033 0.000 2.046 175 L HA -0.031 4.309 4.340 -0.001 0.000 0.208 175 L C 2.585 179.413 176.870 -0.069 0.000 1.077 175 L CA 1.070 55.872 54.840 -0.063 0.000 0.747 175 L CB -0.351 41.649 42.059 -0.099 0.000 0.896 175 L HN 0.294 8.524 8.230 0.000 0.000 0.432 176 I N -0.184 120.356 120.570 -0.051 0.000 3.456 176 I HA -0.169 4.000 4.170 -0.001 0.000 0.291 176 I C 1.862 177.960 176.117 -0.032 0.000 1.307 176 I CA 0.645 61.925 61.300 -0.034 0.000 1.333 176 I CB -0.145 37.844 38.000 -0.018 0.000 1.032 176 I HN 0.391 8.601 8.210 0.000 0.000 0.506 177 Q N 0.295 120.061 119.800 -0.056 0.000 2.313 177 Q HA 0.029 4.368 4.340 -0.001 0.000 0.263 177 Q C 1.821 177.750 176.000 -0.118 0.000 0.820 177 Q CA 0.218 55.985 55.803 -0.060 0.000 0.974 177 Q CB 0.364 29.076 28.738 -0.042 0.000 1.156 177 Q HN 0.295 8.565 8.270 0.000 0.000 0.517 178 E N -0.261 119.839 120.200 -0.167 0.000 2.077 178 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 178 E C 1.494 177.822 176.600 -0.454 0.000 0.989 178 E CA 1.145 57.351 56.400 -0.323 0.000 0.800 178 E CB 0.053 29.570 29.700 -0.305 0.000 0.746 178 E HN 0.437 8.797 8.360 0.000 0.000 0.452 179 A N 1.202 123.880 122.820 -0.237 0.000 1.855 179 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 179 A C 2.410 179.994 177.584 -0.001 0.000 1.191 179 A CA 1.656 53.638 52.037 -0.091 0.000 0.613 179 A CB -0.826 18.174 19.000 -0.001 0.000 0.829 179 A HN 0.362 8.512 8.150 0.000 0.000 0.442 180 A N -0.408 122.409 122.820 -0.005 0.000 1.948 180 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 180 A C 2.460 180.070 177.584 0.042 0.000 1.177 180 A CA 3.098 55.157 52.037 0.037 0.000 0.636 180 A CB -1.063 17.954 19.000 0.029 0.000 0.815 180 A HN 0.802 8.952 8.150 0.000 0.000 0.449 181 R N -1.535 118.955 120.500 -0.018 0.000 2.096 181 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 181 R C 1.908 178.294 176.300 0.143 0.000 1.127 181 R CA 1.851 57.954 56.100 0.006 0.000 0.968 181 R CB -1.502 28.745 30.300 -0.088 0.000 0.861 181 R HN 0.538 8.808 8.270 0.000 0.000 0.440 182 F N 0.482 120.444 119.950 0.020 0.000 2.146 182 F HA 0.106 4.632 4.527 -0.001 0.000 0.298 182 F C 2.178 177.990 175.800 0.019 0.000 1.096 182 F CA 0.524 58.535 58.000 0.017 0.000 1.275 182 F CB -0.776 38.232 39.000 0.014 0.000 1.008 182 F HN 0.064 8.364 8.300 0.000 0.000 0.480 183 L N -1.131 120.225 121.223 0.222 0.000 2.362 183 L HA -0.115 4.224 4.340 -0.001 0.000 0.219 183 L C 1.118 178.049 176.870 0.102 0.000 1.134 183 L CA 0.856 55.774 54.840 0.130 0.000 0.807 183 L CB -0.280 41.846 42.059 0.111 0.000 0.927 183 L HN 0.263 8.493 8.230 0.000 0.000 0.447 184 Q N 0.000 119.867 119.800 0.111 0.000 2.315 184 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 184 Q CA 0.000 55.853 55.803 0.083 0.000 1.022 184 Q CB 0.000 28.778 28.738 0.067 0.000 1.108 184 Q HN 0.000 8.270 8.270 0.000 0.000 0.481