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 1gvk_1_B DATA FIRST_RESID 16 DATA SEQUENCE VVGGTEAQRN SWPSQISLQY SSWAHTcGGT LIRQNWVMTA AHcVDRELTR DATA SEQUENCE VVVGEHNLNQ NNGTEQYVGV QKIVVHPYWN TDDAGYDIAL LRLAQSVTLN DATA SEQUENCE SYVQLGVLPR AGTILANNSP cYITGWGLTR XTNGQLAQTL QQAYLPTVDY DATA SEQUENCE AIcSSYWGST VKNSMVcAGG DGRSGcQGDS GGPLHcLVNG QYAVHGVTSF DATA SEQUENCE VRLGcVTRKP TVFTRVSAYI SWINNVIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 V HA 0.000 4.147 4.120 0.046 0.000 0.244 16 V C 0.000 176.119 176.094 0.042 0.000 1.182 16 V CA 0.000 62.322 62.300 0.037 0.000 1.235 16 V CB 0.000 31.831 31.823 0.013 0.000 1.184 17 V N 6.031 125.974 119.914 0.048 0.000 2.546 17 V HA 0.102 4.431 4.120 0.045 -0.183 0.284 17 V C 0.886 177.010 176.094 0.051 0.000 1.050 17 V CA -1.180 61.148 62.300 0.047 0.000 0.981 17 V CB 0.053 31.903 31.823 0.045 0.000 0.990 17 V HN 0.736 8.956 8.190 0.051 0.000 0.474 18 G N 6.635 115.464 108.800 0.049 0.000 2.160 18 G HA2 -0.402 3.715 3.960 0.057 0.000 0.251 18 G HA3 -0.402 3.590 3.960 0.052 0.000 0.251 18 G C -0.586 174.356 174.900 0.070 0.000 1.008 18 G CA 0.353 45.487 45.100 0.056 0.000 0.724 18 G HN 0.703 9.020 8.290 0.045 0.000 0.514 19 G N -0.520 108.318 108.800 0.065 0.000 2.621 19 G HA2 0.476 4.470 3.960 0.057 0.000 0.271 19 G HA3 0.476 4.616 3.960 0.100 -0.120 0.271 19 G C -1.324 173.622 174.900 0.076 0.000 1.236 19 G CA -0.697 44.448 45.100 0.075 0.000 0.958 19 G HN -0.545 7.738 8.290 0.054 0.040 0.512 20 T N -4.316 110.291 114.554 0.088 0.000 2.916 20 T HA 0.239 4.627 4.350 0.064 0.000 0.292 20 T C -0.915 173.824 174.700 0.064 0.000 1.064 20 T CA -2.160 59.986 62.100 0.077 0.000 1.011 20 T CB 3.153 72.076 68.868 0.092 0.000 1.152 20 T HN 0.395 8.699 8.240 0.106 0.000 0.510 21 E N 3.782 124.019 120.200 0.062 0.000 2.257 21 E HA -0.074 4.429 4.350 0.045 -0.126 0.278 21 E C -0.528 176.134 176.600 0.105 0.000 1.049 21 E CA -0.432 56.012 56.400 0.073 0.000 0.876 21 E CB 0.475 30.229 29.700 0.090 0.000 1.035 21 E HN 0.189 8.585 8.360 0.061 0.000 0.419 22 A N 7.585 130.486 122.820 0.135 0.000 2.483 22 A HA -0.127 4.409 4.320 0.133 -0.136 0.238 22 A C -0.340 177.325 177.584 0.135 0.000 1.070 22 A CA 0.401 52.540 52.037 0.170 0.000 0.770 22 A CB 0.924 20.092 19.000 0.280 0.000 1.008 22 A HN 0.156 8.367 8.150 0.101 0.000 0.497 23 Q N 1.236 121.023 119.800 -0.022 0.000 2.432 23 Q HA -0.201 4.077 4.340 -0.103 0.000 0.264 23 Q C 2.041 177.964 176.000 -0.128 0.000 1.035 23 Q CA 0.225 55.962 55.803 -0.111 0.000 0.908 23 Q CB 1.028 29.659 28.738 -0.178 0.000 1.280 23 Q HN 0.389 8.621 8.270 -0.063 0.000 0.455 24 R N 0.997 121.362 120.500 -0.225 0.000 2.276 24 R HA -0.214 4.060 4.340 -0.110 0.000 0.203 24 R C -1.032 175.297 176.300 0.048 0.000 1.017 24 R CA 2.218 58.214 56.100 -0.174 0.000 1.010 24 R CB -0.031 30.062 30.300 -0.344 0.000 0.900 24 R HN 0.658 8.790 8.270 -0.231 0.000 0.469 25 N N -5.196 113.457 118.700 -0.079 0.000 2.235 25 N HA 0.122 4.810 4.740 -0.086 0.000 0.231 25 N C -0.365 174.969 175.510 -0.294 0.000 1.177 25 N CA -0.933 52.019 53.050 -0.163 0.000 0.874 25 N CB -0.510 37.809 38.487 -0.279 0.000 1.097 25 N HN -0.332 7.881 8.380 -0.131 0.089 0.518 26 S N -0.395 115.047 115.700 -0.431 0.000 2.387 26 S HA -0.031 3.956 4.470 -0.805 0.000 0.226 26 S C 0.097 174.061 174.600 -1.061 0.000 1.026 26 S CA 2.994 60.640 58.200 -0.923 0.000 0.972 26 S CB 0.331 62.698 63.200 -1.387 0.000 0.814 26 S HN -0.217 7.837 8.310 -0.336 0.054 0.477 27 W N -2.466 118.717 121.300 -0.195 0.000 1.759 27 W HA 0.467 4.958 4.660 -0.282 0.000 0.291 27 W C -1.751 174.743 176.519 -0.041 0.000 0.855 27 W CA -2.843 54.379 57.345 -0.205 0.000 2.167 27 W CB -0.658 28.640 29.460 -0.269 0.000 2.351 27 W HN -0.214 7.830 8.180 -0.226 0.000 0.423 28 P HA -0.011 4.585 4.420 0.150 -0.086 0.237 28 P C -0.247 177.147 177.300 0.158 0.000 1.178 28 P CA 1.109 64.281 63.100 0.121 0.000 0.766 28 P CB -0.054 31.663 31.700 0.028 0.000 0.876 29 S N -4.206 111.613 115.700 0.198 0.000 2.558 29 S HA 0.145 4.857 4.470 0.156 -0.149 0.217 29 S C 0.311 175.037 174.600 0.211 0.000 0.975 29 S CA -0.054 58.261 58.200 0.192 0.000 0.912 29 S CB -0.443 62.877 63.200 0.200 0.000 0.776 29 S HN -0.107 8.286 8.310 0.227 0.054 0.526 30 Q N 3.682 123.634 119.800 0.253 0.000 2.337 30 Q HA 0.144 4.761 4.340 0.213 -0.149 0.270 30 Q C -0.194 175.973 176.000 0.279 0.000 1.002 30 Q CA 0.540 56.489 55.803 0.243 0.000 0.888 30 Q CB 1.019 29.878 28.738 0.202 0.000 1.222 30 Q HN -0.722 7.671 8.270 0.280 0.045 0.400 31 I N 0.224 120.965 120.570 0.284 0.000 2.957 31 I HA 0.657 5.087 4.170 0.269 -0.098 0.310 31 I C -1.972 174.371 176.117 0.376 0.000 1.063 31 I CA -2.805 58.653 61.300 0.265 0.000 1.033 31 I CB 3.652 41.733 38.000 0.136 0.000 1.230 31 I HN -0.010 8.352 8.210 0.254 0.000 0.447 32 S N 1.547 117.360 115.700 0.188 0.000 2.433 32 S HA 0.401 5.056 4.470 0.308 0.000 0.310 32 S C -1.297 173.309 174.600 0.010 0.000 1.097 32 S CA -1.570 56.687 58.200 0.096 0.000 1.103 32 S CB 1.081 64.117 63.200 -0.274 0.000 0.992 32 S HN -0.063 8.302 8.310 0.091 0.000 0.469 33 L N 8.823 130.033 121.223 -0.022 0.000 2.264 33 L HA 0.685 5.163 4.340 -0.025 -0.153 0.289 33 L C -2.198 174.621 176.870 -0.086 0.000 1.044 33 L CA -0.792 54.019 54.840 -0.049 0.000 0.807 33 L CB 2.519 44.557 42.059 -0.035 0.000 1.192 33 L HN 0.577 8.798 8.230 -0.014 0.000 0.425 34 Q N 4.445 124.253 119.800 0.014 0.000 2.413 34 Q HA 0.869 5.385 4.340 0.025 -0.161 0.276 34 Q C -0.684 175.509 176.000 0.320 0.000 1.099 34 Q CA -1.929 53.930 55.803 0.093 0.000 0.814 34 Q CB 4.216 33.003 28.738 0.083 0.000 1.379 34 Q HN 0.391 8.674 8.270 0.021 0.000 0.436 35 Y N -0.230 120.226 120.300 0.260 0.000 3.305 35 Y HA 0.944 5.903 4.550 0.327 -0.212 0.323 35 Y C 1.355 177.305 175.900 0.084 0.000 1.478 35 Y CA -3.411 54.826 58.100 0.228 0.000 0.782 35 Y CB 0.777 39.282 38.460 0.074 0.000 1.178 35 Y HN 0.538 8.796 8.280 -0.037 0.000 0.810 36 S N -0.194 115.419 115.700 -0.145 0.000 2.693 36 S HA -0.233 4.148 4.470 -0.149 0.000 0.261 36 S C 0.858 175.363 174.600 -0.159 0.000 0.981 36 S CA 1.246 59.364 58.200 -0.137 0.000 0.984 36 S CB -1.399 61.755 63.200 -0.078 0.000 0.763 36 S HN -0.038 8.202 8.310 -0.117 0.000 0.546 37 S N -0.673 114.880 115.700 -0.245 0.000 2.840 37 S HA 0.275 4.679 4.470 -0.111 0.000 0.307 37 S C -2.308 172.016 174.600 -0.460 0.000 1.180 37 S CA -0.648 57.427 58.200 -0.209 0.000 0.846 37 S CB 1.335 64.482 63.200 -0.088 0.000 1.233 37 S HN -0.531 7.613 8.310 -0.276 0.000 0.548 38 W N -0.743 120.476 121.300 -0.136 0.000 2.736 38 W HA 0.139 4.846 4.660 -0.211 -0.174 0.335 38 W C -1.070 175.299 176.519 -0.249 0.000 1.059 38 W CA -0.909 56.326 57.345 -0.184 0.000 1.226 38 W CB 2.735 32.121 29.460 -0.125 0.000 1.416 38 W HN 0.088 8.332 8.180 0.107 0.000 0.505 39 A N 3.392 126.085 122.820 -0.211 0.000 2.330 39 A HA 0.434 4.672 4.320 -0.138 0.000 0.313 39 A C -2.300 175.165 177.584 -0.199 0.000 1.124 39 A CA -1.533 50.319 52.037 -0.309 0.000 0.774 39 A CB 2.904 21.514 19.000 -0.649 0.000 1.198 39 A HN 0.707 8.671 8.150 -0.311 0.000 0.465 40 H N 5.778 124.777 119.070 -0.118 0.000 2.964 40 H HA -0.203 4.444 4.556 -0.048 -0.120 0.328 40 H C -0.234 175.130 175.328 0.061 0.000 1.030 40 H CA 1.900 57.916 56.048 -0.054 0.000 1.445 40 H CB 0.155 29.850 29.762 -0.111 0.000 1.449 40 H HN 0.671 8.990 8.280 0.066 0.000 0.581 41 T N 4.928 119.238 114.554 -0.406 0.000 2.989 41 T HA 0.156 4.542 4.350 0.061 0.000 0.250 41 T C -1.207 173.340 174.700 -0.256 0.000 0.981 41 T CA 0.819 62.850 62.100 -0.115 0.000 0.980 41 T CB 1.748 70.737 68.868 0.202 0.000 1.133 41 T HN 0.535 8.450 8.240 -0.541 0.000 0.489 42 c N -1.347 116.957 118.600 -0.493 0.000 3.321 42 c HA 0.275 4.967 4.570 -0.005 -0.126 0.329 42 c C -1.522 172.550 174.090 -0.030 0.000 1.394 42 c CA -0.452 55.789 56.329 -0.146 0.000 1.291 42 c CB 3.955 46.407 42.510 -0.096 0.000 1.606 42 c HN -0.576 7.210 8.230 -0.740 0.000 0.463 43 G N -1.043 107.853 108.800 0.159 0.000 2.537 43 G HA2 0.684 4.795 3.960 0.252 0.000 0.297 43 G HA3 0.684 5.015 3.960 0.354 -0.159 0.297 43 G C -2.083 172.885 174.900 0.113 0.000 1.310 43 G CA -1.357 43.885 45.100 0.236 0.000 1.027 43 G HN 0.368 8.741 8.290 0.138 0.000 0.505 44 G N -3.948 104.932 108.800 0.134 0.000 2.506 44 G HA2 0.384 4.391 3.960 0.079 0.000 0.292 44 G HA3 0.384 4.686 3.960 0.056 -0.309 0.292 44 G C -2.434 172.528 174.900 0.103 0.000 1.425 44 G CA 0.320 45.472 45.100 0.086 0.000 0.788 44 G HN -0.667 7.735 8.290 0.186 0.000 0.490 45 T N 1.562 116.168 114.554 0.086 0.000 2.812 45 T HA 0.614 5.233 4.350 0.118 -0.197 0.282 45 T C -1.428 173.336 174.700 0.107 0.000 0.990 45 T CA -0.581 61.578 62.100 0.098 0.000 0.960 45 T CB 2.979 71.887 68.868 0.068 0.000 0.948 45 T HN 0.427 8.712 8.240 0.076 0.000 0.438 46 L N 8.348 129.641 121.223 0.117 0.000 2.418 46 L HA -0.007 4.513 4.340 0.115 -0.112 0.274 46 L C -0.948 175.989 176.870 0.112 0.000 1.135 46 L CA 0.445 55.352 54.840 0.112 0.000 0.870 46 L CB 0.562 42.683 42.059 0.103 0.000 1.154 46 L HN 0.476 8.782 8.230 0.127 0.000 0.462 47 I N 0.819 121.463 120.570 0.123 0.000 4.323 47 I HA 0.443 4.665 4.170 0.087 0.000 0.328 47 I C -0.697 175.482 176.117 0.104 0.000 1.310 47 I CA -0.195 61.164 61.300 0.099 0.000 1.186 47 I CB 2.254 40.296 38.000 0.071 0.000 1.130 47 I HN 0.429 8.729 8.210 0.149 0.000 0.411 48 R N -0.936 119.661 120.500 0.162 0.000 2.855 48 R HA 0.272 4.682 4.340 0.117 0.000 0.266 48 R C 0.700 177.085 176.300 0.141 0.000 1.034 48 R CA -2.756 53.444 56.100 0.167 0.000 0.944 48 R CB 2.083 32.548 30.300 0.274 0.000 1.219 48 R HN -0.677 7.712 8.270 0.198 0.000 0.474 49 Q N 1.097 120.959 119.800 0.103 0.000 2.297 49 Q HA -0.308 4.065 4.340 0.055 0.000 0.208 49 Q C 0.293 176.312 176.000 0.032 0.000 0.981 49 Q CA 3.292 59.131 55.803 0.060 0.000 0.876 49 Q CB 0.089 28.852 28.738 0.041 0.000 0.921 49 Q HN 0.576 8.907 8.270 0.101 0.000 0.446 50 N N -4.702 114.019 118.700 0.035 0.000 2.291 50 N HA 0.115 4.785 4.740 -0.116 0.000 0.244 50 N C -1.849 173.503 175.510 -0.262 0.000 1.216 50 N CA -1.328 51.647 53.050 -0.125 0.000 0.879 50 N CB -0.116 38.254 38.487 -0.195 0.000 1.167 50 N HN 0.016 8.427 8.380 0.111 0.036 0.515 51 W N -2.173 119.121 121.300 -0.010 0.000 3.129 51 W HA 0.620 5.493 4.660 -0.016 -0.223 0.333 51 W C -1.861 174.657 176.519 -0.002 0.000 1.141 51 W CA -0.630 56.706 57.345 -0.014 0.000 1.224 51 W CB 3.966 33.409 29.460 -0.029 0.000 1.393 51 W HN -0.314 7.874 8.180 0.200 0.112 0.499 52 V N 2.225 122.296 119.914 0.261 0.000 2.555 52 V HA 0.640 5.017 4.120 0.156 -0.163 0.302 52 V C -1.790 174.412 176.094 0.179 0.000 1.038 52 V CA -1.798 60.605 62.300 0.170 0.000 0.887 52 V CB 4.239 36.121 31.823 0.099 0.000 0.991 52 V HN 0.878 9.225 8.190 0.262 0.000 0.434 53 M N 7.847 127.524 119.600 0.128 0.000 2.157 53 M HA 0.609 5.316 4.480 0.125 -0.153 0.354 53 M C -1.639 174.696 176.300 0.059 0.000 1.170 53 M CA -0.651 54.710 55.300 0.101 0.000 1.060 53 M CB 2.125 34.775 32.600 0.084 0.000 1.615 53 M HN 0.678 9.039 8.290 0.118 0.000 0.460 54 T N 6.412 120.983 114.554 0.028 0.000 2.654 54 T HA 0.565 5.111 4.350 -0.027 -0.212 0.289 54 T C -2.119 172.512 174.700 -0.114 0.000 1.062 54 T CA -2.472 59.606 62.100 -0.036 0.000 1.041 54 T CB 3.066 71.912 68.868 -0.037 0.000 1.417 54 T HN 0.416 8.684 8.240 0.046 0.000 0.510 55 A N -0.199 122.493 122.820 -0.214 0.000 2.327 55 A HA 0.286 4.581 4.320 -0.308 -0.160 0.283 55 A C 0.728 178.036 177.584 -0.459 0.000 1.127 55 A CA -1.270 50.556 52.037 -0.352 0.000 0.810 55 A CB 0.905 19.625 19.000 -0.467 0.000 1.066 55 A HN 0.294 8.319 8.150 -0.208 0.000 0.492 56 A N 4.433 126.886 122.820 -0.612 0.000 1.917 56 A HA -0.380 3.650 4.320 -0.483 0.000 0.219 56 A C 2.140 179.300 177.584 -0.706 0.000 1.182 56 A CA 2.793 54.356 52.037 -0.789 0.000 0.633 56 A CB -1.038 17.099 19.000 -1.438 0.000 0.819 56 A HN 0.936 8.738 8.150 -0.617 -0.021 0.448 57 H N -2.226 116.407 119.070 -0.730 0.000 2.491 57 H HA 0.009 4.564 4.556 -0.001 0.000 0.290 57 H C 2.206 177.488 175.328 -0.076 0.000 1.050 57 H CA 1.272 57.197 56.048 -0.205 0.000 1.309 57 H CB -0.695 29.073 29.762 0.010 0.000 1.392 57 H HN 0.474 nan 8.280 nan 0.000 0.554 58 c N -0.108 118.201 118.600 -0.486 0.000 2.446 58 c HA -0.163 4.287 4.570 -0.201 0.000 0.279 58 c C -0.500 173.522 174.090 -0.114 0.000 1.366 58 c CA 1.811 57.975 56.329 -0.276 0.000 1.763 58 c CB -0.388 41.941 42.510 -0.302 0.000 1.929 58 c HN 0.069 7.746 8.230 -0.683 0.143 0.509 59 V N -8.237 111.612 119.914 -0.109 0.000 3.252 59 V HA 0.401 4.509 4.120 -0.020 0.000 0.320 59 V C -1.836 174.264 176.094 0.009 0.000 1.459 59 V CA -1.705 60.572 62.300 -0.038 0.000 1.095 59 V CB 0.012 31.813 31.823 -0.035 0.000 0.997 59 V HN -0.384 7.546 8.190 -0.167 0.160 0.469 60 D N 0.588 121.014 120.400 0.045 0.000 3.057 60 D HA 0.094 4.807 4.640 0.121 0.000 0.246 60 D C -0.752 175.619 176.300 0.118 0.000 1.238 60 D CA -0.235 53.846 54.000 0.136 0.000 0.949 60 D CB -1.095 39.896 40.800 0.318 0.000 1.086 60 D HN -0.642 7.747 8.370 0.031 0.000 0.487 61 R N 0.023 120.561 120.500 0.064 0.000 3.014 61 R HA 0.216 4.585 4.340 0.048 0.000 0.262 61 R C -1.223 175.089 176.300 0.021 0.000 1.066 61 R CA -1.752 54.370 56.100 0.037 0.000 0.939 61 R CB 1.711 32.015 30.300 0.008 0.000 1.372 61 R HN 0.716 8.878 8.270 0.052 0.139 0.431 62 E N -0.292 119.908 120.200 -0.000 0.000 2.496 62 E HA 0.184 4.544 4.350 0.016 0.000 0.200 62 E C -0.858 175.741 176.600 -0.002 0.000 1.016 62 E CA -0.669 55.734 56.400 0.004 0.000 0.962 62 E CB -0.960 28.742 29.700 0.003 0.000 1.071 62 E HN 0.296 8.648 8.360 -0.013 0.000 0.457 63 L N -0.269 120.949 121.223 -0.009 0.000 2.454 63 L HA 0.119 4.457 4.340 -0.004 0.000 0.256 63 L C 0.647 177.553 176.870 0.060 0.000 1.136 63 L CA -0.175 54.668 54.840 0.005 0.000 0.804 63 L CB 0.505 42.538 42.059 -0.043 0.000 1.181 63 L HN -0.376 7.730 8.230 -0.015 0.115 0.469 64 T N 0.995 115.603 114.554 0.090 0.000 2.847 64 T HA 0.138 4.562 4.350 0.123 0.000 0.279 64 T C -0.832 174.033 174.700 0.275 0.000 0.984 64 T CA 0.474 62.658 62.100 0.140 0.000 0.988 64 T CB 0.967 69.887 68.868 0.086 0.000 1.040 64 T HN -0.048 8.237 8.240 0.074 0.000 0.528 65 R N -1.805 118.753 120.500 0.096 0.000 2.753 65 R HA 0.363 4.819 4.340 -0.092 -0.172 0.272 65 R C -3.036 173.194 176.300 -0.117 0.000 1.034 65 R CA -0.201 55.808 56.100 -0.151 0.000 0.869 65 R CB 2.709 32.650 30.300 -0.599 0.000 1.264 65 R HN 0.715 9.086 8.270 0.168 0.000 0.481 66 V N 1.221 121.065 119.914 -0.117 0.000 2.483 66 V HA 0.733 4.983 4.120 -0.069 -0.171 0.295 66 V C -1.710 174.302 176.094 -0.136 0.000 1.035 66 V CA -1.977 60.269 62.300 -0.090 0.000 0.896 66 V CB 2.925 34.718 31.823 -0.052 0.000 0.986 66 V HN 0.537 8.654 8.190 -0.122 0.000 0.447 67 V N 6.771 126.598 119.914 -0.145 0.000 2.409 67 V HA 0.617 4.724 4.120 -0.343 -0.194 0.291 67 V C -0.532 175.473 176.094 -0.148 0.000 1.020 67 V CA -2.030 60.118 62.300 -0.253 0.000 0.848 67 V CB 0.928 32.559 31.823 -0.321 0.000 0.990 67 V HN 0.525 8.652 8.190 -0.105 0.000 0.430 68 V N 1.850 121.671 119.914 -0.155 0.000 2.834 68 V HA 0.499 4.638 4.120 0.032 0.000 0.313 68 V C 0.695 176.754 176.094 -0.058 0.000 1.060 68 V CA -3.195 59.080 62.300 -0.041 0.000 0.989 68 V CB 1.563 33.379 31.823 -0.013 0.000 1.041 68 V HN 0.200 8.258 8.190 -0.220 0.000 0.459 69 G N 0.962 109.797 108.800 0.059 0.000 2.179 69 G HA2 -0.526 3.618 3.960 0.010 0.000 0.257 69 G HA3 -0.526 3.674 3.960 0.161 -0.144 0.257 69 G C -1.284 173.637 174.900 0.036 0.000 1.010 69 G CA 0.665 45.805 45.100 0.066 0.000 0.736 69 G HN 0.462 8.819 8.290 0.111 0.000 0.513 70 E N -1.101 119.166 120.200 0.112 0.000 2.266 70 E HA -0.042 4.332 4.350 0.039 0.000 0.277 70 E C -1.652 175.205 176.600 0.429 0.000 1.018 70 E CA -0.939 55.544 56.400 0.140 0.000 0.840 70 E CB 1.176 30.850 29.700 -0.042 0.000 1.082 70 E HN -0.492 7.927 8.360 0.155 0.034 0.395 71 H N 6.713 125.950 119.070 0.279 0.000 2.176 71 H HA 0.117 4.958 4.556 0.475 0.000 0.228 71 H C -0.876 174.708 175.328 0.427 0.000 0.879 71 H CA 1.361 57.625 56.048 0.360 0.000 1.027 71 H CB 3.117 32.975 29.762 0.161 0.000 1.356 71 H HN -0.089 8.526 8.280 0.261 -0.179 0.425 72 N N 0.014 118.814 118.700 0.167 0.000 2.446 72 N HA 0.311 5.313 4.740 0.082 -0.213 0.265 72 N C 1.322 176.823 175.510 -0.015 0.000 0.975 72 N CA -1.480 51.618 53.050 0.080 0.000 0.928 72 N CB 0.649 39.200 38.487 0.107 0.000 1.160 72 N HN -0.362 8.488 8.380 0.210 -0.344 0.495 73 L N 6.126 127.270 121.223 -0.131 0.000 2.353 73 L HA -0.196 4.121 4.340 -0.301 -0.159 0.220 73 L C 0.899 177.712 176.870 -0.096 0.000 1.133 73 L CA 2.272 56.967 54.840 -0.242 0.000 0.798 73 L CB -0.135 41.702 42.059 -0.370 0.000 0.922 73 L HN 0.629 8.805 8.230 -0.089 0.000 0.445 74 N N -5.063 113.614 118.700 -0.038 0.000 2.184 74 N HA 0.127 4.857 4.740 -0.016 0.000 0.206 74 N C -1.277 174.238 175.510 0.008 0.000 1.151 74 N CA 0.374 53.417 53.050 -0.011 0.000 0.878 74 N CB 1.231 39.718 38.487 -0.001 0.000 1.014 74 N HN -0.325 8.296 8.380 -0.025 -0.256 0.512 75 Q N -2.307 117.503 119.800 0.017 0.000 2.416 75 Q HA 0.143 4.496 4.340 0.022 0.000 0.281 75 Q C -1.590 174.430 176.000 0.033 0.000 1.067 75 Q CA -1.443 54.377 55.803 0.028 0.000 0.809 75 Q CB 3.299 32.060 28.738 0.039 0.000 1.418 75 Q HN -0.817 7.514 8.270 0.013 -0.053 0.411 76 N N 1.612 120.329 118.700 0.029 0.000 2.438 76 N HA -0.210 4.679 4.740 0.043 -0.124 0.267 76 N C -0.206 175.314 175.510 0.017 0.000 1.222 76 N CA 0.267 53.334 53.050 0.029 0.000 0.930 76 N CB -0.215 38.285 38.487 0.022 0.000 1.083 76 N HN 0.201 8.596 8.380 0.025 0.000 0.476 77 N N 5.756 124.460 118.700 0.006 0.000 2.392 77 N HA 0.021 4.756 4.740 -0.008 0.000 0.177 77 N C 0.254 175.711 175.510 -0.087 0.000 1.066 77 N CA 0.438 53.472 53.050 -0.027 0.000 0.895 77 N CB 0.620 39.096 38.487 -0.018 0.000 0.988 77 N HN 0.238 9.112 8.380 0.012 -0.487 0.457 78 G N -1.402 107.359 108.800 -0.066 0.000 2.148 78 G HA2 -0.344 3.568 3.960 -0.080 0.000 0.254 78 G HA3 -0.344 3.591 3.960 -0.042 0.000 0.254 78 G C 0.035 174.855 174.900 -0.134 0.000 0.981 78 G CA 1.511 46.564 45.100 -0.079 0.000 0.670 78 G HN -0.161 8.398 8.290 -0.034 -0.289 0.528 79 T N -5.541 108.903 114.554 -0.182 0.000 3.087 79 T HA 0.002 4.238 4.350 -0.191 0.000 0.283 79 T C -0.057 174.548 174.700 -0.157 0.000 0.956 79 T CA -0.584 61.372 62.100 -0.240 0.000 0.894 79 T CB 1.172 69.689 68.868 -0.585 0.000 1.160 79 T HN -0.129 7.972 8.240 -0.153 0.048 0.532 80 E N 2.961 123.062 120.200 -0.164 0.000 2.383 80 E HA 0.180 4.666 4.350 -0.275 -0.301 0.264 80 E C -0.507 175.905 176.600 -0.314 0.000 1.050 80 E CA 0.618 56.838 56.400 -0.300 0.000 0.896 80 E CB 0.316 29.730 29.700 -0.477 0.000 0.982 80 E HN -0.064 8.219 8.360 -0.128 0.000 0.424 81 Q N 1.888 121.453 119.800 -0.393 0.000 2.356 81 Q HA 0.300 4.533 4.340 -0.177 0.000 0.270 81 Q C -1.298 174.426 176.000 -0.459 0.000 1.058 81 Q CA -1.256 54.377 55.803 -0.283 0.000 0.802 81 Q CB 3.028 31.695 28.738 -0.117 0.000 1.303 81 Q HN 0.352 8.396 8.270 -0.378 0.000 0.444 82 Y N 2.066 122.299 120.300 -0.112 0.000 2.335 82 Y HA 0.659 5.242 4.550 -0.196 -0.150 0.338 82 Y C -0.120 175.683 175.900 -0.161 0.000 0.977 82 Y CA -1.236 56.758 58.100 -0.177 0.000 1.114 82 Y CB 1.948 40.269 38.460 -0.231 0.000 1.182 82 Y HN 0.238 8.555 8.280 0.062 0.000 0.463 83 V N 3.317 123.198 119.914 -0.055 0.000 2.808 83 V HA 0.203 4.296 4.120 -0.044 0.000 0.308 83 V C -1.256 174.785 176.094 -0.089 0.000 1.099 83 V CA -1.356 60.906 62.300 -0.064 0.000 0.920 83 V CB 4.153 35.937 31.823 -0.065 0.000 1.014 83 V HN 0.558 8.693 8.190 -0.090 0.000 0.425 84 G N 3.952 112.712 108.800 -0.066 0.000 2.527 84 G HA2 0.120 4.071 3.960 -0.016 0.000 0.248 84 G HA3 0.120 4.051 3.960 -0.049 0.000 0.248 84 G C -1.673 173.198 174.900 -0.049 0.000 1.231 84 G CA -0.737 44.337 45.100 -0.043 0.000 0.838 84 G HN 0.591 8.849 8.290 -0.052 0.000 0.570 85 V N 2.370 122.270 119.914 -0.023 0.000 2.408 85 V HA -0.124 3.952 4.120 -0.074 0.000 0.267 85 V C -0.928 175.142 176.094 -0.041 0.000 1.047 85 V CA 0.018 62.295 62.300 -0.039 0.000 0.937 85 V CB -0.391 31.428 31.823 -0.006 0.000 0.999 85 V HN -0.470 7.724 8.190 0.006 0.000 0.472 86 Q N 8.819 128.565 119.800 -0.090 0.000 2.297 86 Q HA -0.074 4.235 4.340 -0.050 0.000 0.203 86 Q C -0.043 175.911 176.000 -0.077 0.000 0.931 86 Q CA 1.333 57.085 55.803 -0.084 0.000 0.885 86 Q CB 1.595 30.259 28.738 -0.124 0.000 0.991 86 Q HN 0.649 8.840 8.270 -0.131 0.000 0.498 87 K N -1.548 118.790 120.400 -0.104 0.000 2.523 87 K HA 0.318 4.626 4.320 -0.019 0.000 0.257 87 K C -2.408 174.183 176.600 -0.014 0.000 0.932 87 K CA -0.442 55.812 56.287 -0.054 0.000 0.812 87 K CB 3.831 36.289 32.500 -0.070 0.000 1.326 87 K HN -0.673 7.490 8.250 -0.146 0.000 0.433 88 I N 4.780 125.376 120.570 0.043 0.000 2.389 88 I HA 0.363 4.725 4.170 0.095 -0.135 0.288 88 I C -0.645 175.548 176.117 0.126 0.000 0.999 88 I CA -1.057 60.293 61.300 0.084 0.000 1.129 88 I CB 1.773 39.811 38.000 0.064 0.000 1.288 88 I HN 0.223 8.458 8.210 0.042 0.000 0.444 89 V N 9.746 129.770 119.914 0.185 0.000 2.325 89 V HA 0.258 4.482 4.120 0.172 0.000 0.280 89 V C -1.533 174.728 176.094 0.278 0.000 1.016 89 V CA -1.596 60.828 62.300 0.207 0.000 0.818 89 V CB 0.450 32.381 31.823 0.181 0.000 1.019 89 V HN 0.888 9.204 8.190 0.210 0.000 0.434 90 V N 6.875 126.923 119.914 0.224 0.000 2.732 90 V HA -0.081 4.135 4.120 0.160 0.000 0.297 90 V C 0.125 176.360 176.094 0.235 0.000 1.060 90 V CA -1.091 61.324 62.300 0.191 0.000 1.038 90 V CB 0.673 32.578 31.823 0.136 0.000 1.003 90 V HN 0.345 8.645 8.190 0.184 0.000 0.481 91 H N 8.123 127.161 119.070 -0.054 0.000 3.070 91 H HA -0.025 4.304 4.556 -0.378 0.000 0.313 91 H C 0.454 175.725 175.328 -0.094 0.000 0.997 91 H CA 0.462 56.302 56.048 -0.346 0.000 1.438 91 H CB 1.206 30.554 29.762 -0.690 0.000 1.455 91 H HN -0.231 8.056 8.280 0.012 0.000 0.575 92 P HA -0.087 4.375 4.420 0.069 0.000 0.228 92 P C -0.722 176.716 177.300 0.229 0.000 1.151 92 P CA 1.653 64.724 63.100 -0.049 0.000 0.770 92 P CB 0.117 31.716 31.700 -0.168 0.000 0.786 93 Y N -5.837 114.592 120.300 0.214 0.000 2.462 93 Y HA 0.086 4.531 4.550 -0.175 0.000 0.261 93 Y C -0.209 175.615 175.900 -0.126 0.000 1.146 93 Y CA -1.854 56.122 58.100 -0.206 0.000 1.283 93 Y CB -0.440 37.539 38.460 -0.802 0.000 1.090 93 Y HN -0.315 8.301 8.280 0.654 0.057 0.526 94 W N 1.699 123.062 121.300 0.106 0.000 2.257 94 W HA -0.298 4.486 4.660 0.207 0.000 0.337 94 W C -1.286 175.291 176.519 0.096 0.000 1.321 94 W CA 0.750 58.174 57.345 0.132 0.000 1.267 94 W CB 0.635 30.158 29.460 0.105 0.000 1.187 94 W HN -0.726 7.573 8.180 0.473 0.165 0.565 95 N N 7.469 125.652 118.700 -0.862 0.000 2.448 95 N HA 0.206 4.577 4.740 -0.614 0.000 0.279 95 N C 0.483 175.182 175.510 -1.351 0.000 1.025 95 N CA -1.008 51.543 53.050 -0.830 0.000 0.898 95 N CB 1.699 39.942 38.487 -0.406 0.000 1.303 95 N HN 0.240 8.108 8.380 -0.853 0.000 0.495 96 T N 6.242 120.198 114.554 -0.997 0.000 2.929 96 T HA -0.233 3.721 4.350 -0.660 0.000 0.271 96 T C 0.739 175.238 174.700 -0.334 0.000 1.085 96 T CA 2.576 64.354 62.100 -0.535 0.000 1.125 96 T CB -0.075 68.782 68.868 -0.018 0.000 0.874 96 T HN 0.614 8.439 8.240 -0.692 0.000 0.494 97 D N 0.023 120.236 120.400 -0.312 0.000 2.348 97 D HA -0.100 4.450 4.640 -0.150 0.000 0.216 97 D C -0.292 175.875 176.300 -0.222 0.000 0.970 97 D CA 1.678 55.555 54.000 -0.206 0.000 0.889 97 D CB 0.296 41.002 40.800 -0.157 0.000 0.912 97 D HN -0.414 7.957 8.370 -0.349 -0.211 0.524 98 D N -3.044 117.161 120.400 -0.325 0.000 3.009 98 D HA 0.078 4.595 4.640 -0.205 0.000 0.318 98 D C -1.407 174.726 176.300 -0.279 0.000 1.273 98 D CA -0.851 52.995 54.000 -0.257 0.000 1.001 98 D CB 2.774 43.457 40.800 -0.196 0.000 1.411 98 D HN -0.499 7.409 8.370 -0.469 0.181 0.577 99 A N -3.193 119.598 122.820 -0.049 0.000 3.612 99 A HA -0.241 4.077 4.320 -0.003 0.000 0.226 99 A C -0.861 176.670 177.584 -0.088 0.000 0.966 99 A CA 0.544 52.582 52.037 0.002 0.000 1.801 99 A CB -0.656 18.391 19.000 0.079 0.000 0.830 99 A HN 0.599 8.704 8.150 -0.076 0.000 0.752 100 G N -1.980 106.803 108.800 -0.029 0.000 2.545 100 G HA2 -0.306 3.410 3.960 -0.407 0.000 0.216 100 G HA3 -0.306 3.661 3.960 0.011 0.000 0.216 100 G C -0.872 174.038 174.900 0.017 0.000 1.314 100 G CA -0.386 44.628 45.100 -0.142 0.000 0.906 100 G HN -0.607 7.715 8.290 0.054 0.000 0.563 101 Y N -5.811 114.550 120.300 0.101 0.000 4.177 101 Y HA -0.451 3.878 4.550 -0.369 0.000 0.227 101 Y C -0.863 174.986 175.900 -0.085 0.000 1.154 101 Y CA -0.076 57.955 58.100 -0.115 0.000 1.887 101 Y CB -2.773 35.634 38.460 -0.088 0.000 1.594 101 Y HN -0.111 7.915 8.280 -0.423 0.000 0.668 102 D N 0.021 120.399 120.400 -0.038 0.000 2.558 102 D HA 0.067 4.307 4.640 -0.667 0.000 0.221 102 D C -1.521 174.536 176.300 -0.405 0.000 1.143 102 D CA 0.126 53.938 54.000 -0.312 0.000 1.010 102 D CB -1.032 39.707 40.800 -0.102 0.000 1.068 102 D HN 0.011 8.333 8.370 -0.032 0.030 0.511 103 I N 2.094 122.386 120.570 -0.464 0.000 2.842 103 I HA 0.563 4.748 4.170 -0.293 -0.191 0.297 103 I C -3.275 172.704 176.117 -0.230 0.000 1.380 103 I CA -1.232 59.844 61.300 -0.374 0.000 1.018 103 I CB 4.181 41.849 38.000 -0.554 0.000 1.311 103 I HN -0.333 7.559 8.210 -0.470 0.037 0.439 104 A N 5.208 128.015 122.820 -0.021 0.000 2.594 104 A HA 0.833 5.482 4.320 0.328 -0.132 0.295 104 A C -2.716 175.011 177.584 0.238 0.000 1.071 104 A CA -1.272 50.860 52.037 0.158 0.000 0.685 104 A CB 3.992 23.000 19.000 0.013 0.000 1.285 104 A HN 0.471 8.603 8.150 -0.030 0.000 0.405 105 L N -0.112 121.290 121.223 0.298 0.000 2.346 105 L HA 0.867 5.542 4.340 0.251 -0.185 0.276 105 L C -1.084 175.992 176.870 0.343 0.000 1.006 105 L CA -1.712 53.298 54.840 0.283 0.000 0.817 105 L CB 3.155 45.293 42.059 0.131 0.000 1.272 105 L HN 0.383 8.822 8.230 0.349 0.000 0.421 106 L N 0.893 122.303 121.223 0.312 0.000 2.319 106 L HA 0.688 5.260 4.340 0.082 -0.182 0.281 106 L C -1.045 175.770 176.870 -0.092 0.000 1.005 106 L CA -1.735 53.172 54.840 0.111 0.000 0.828 106 L CB 1.386 43.475 42.059 0.049 0.000 1.227 106 L HN 0.799 9.225 8.230 0.327 0.000 0.415 107 R N 4.592 124.784 120.500 -0.512 0.000 2.265 107 R HA 0.442 4.091 4.340 -1.455 -0.182 0.314 107 R C -1.052 174.943 176.300 -0.508 0.000 1.053 107 R CA -1.143 54.310 56.100 -1.078 0.000 0.931 107 R CB 1.713 31.177 30.300 -1.393 0.000 1.024 107 R HN 0.417 8.480 8.270 -0.346 0.000 0.457 108 L N 4.707 125.671 121.223 -0.432 0.000 2.399 108 L HA 0.223 4.587 4.340 -0.184 -0.134 0.266 108 L C 0.102 176.847 176.870 -0.207 0.000 1.114 108 L CA -0.310 54.389 54.840 -0.236 0.000 0.804 108 L CB 0.819 42.778 42.059 -0.167 0.000 1.146 108 L HN 0.288 8.089 8.230 -0.536 0.108 0.451 109 A N 1.679 124.418 122.820 -0.134 0.000 2.015 109 A HA -0.177 4.074 4.320 -0.115 0.000 0.219 109 A C -0.343 177.189 177.584 -0.088 0.000 1.163 109 A CA 1.847 53.823 52.037 -0.102 0.000 0.646 109 A CB 0.553 19.514 19.000 -0.064 0.000 0.806 109 A HN 0.503 8.585 8.150 -0.113 0.000 0.448 110 Q N -4.656 115.096 119.800 -0.080 0.000 2.451 110 Q HA 0.218 4.521 4.340 -0.062 0.000 0.281 110 Q C -1.804 174.156 176.000 -0.066 0.000 1.099 110 Q CA -1.321 54.445 55.803 -0.062 0.000 0.806 110 Q CB 4.009 32.724 28.738 -0.038 0.000 1.419 110 Q HN -0.209 8.011 8.270 -0.082 0.000 0.427 111 S N 2.147 117.819 115.700 -0.048 0.000 2.528 111 S HA -0.001 4.614 4.470 -0.041 -0.170 0.277 111 S C 0.280 174.869 174.600 -0.019 0.000 1.297 111 S CA -0.325 57.855 58.200 -0.032 0.000 1.052 111 S CB -0.116 63.075 63.200 -0.015 0.000 0.917 111 S HN 0.129 8.415 8.310 -0.041 0.000 0.492 112 V N 1.790 121.696 119.914 -0.014 0.000 3.083 112 V HA 0.269 4.445 4.120 -0.013 -0.064 0.306 112 V C -0.374 175.723 176.094 0.006 0.000 1.077 112 V CA -1.700 60.595 62.300 -0.008 0.000 1.073 112 V CB 0.882 32.700 31.823 -0.008 0.000 1.081 112 V HN 0.248 8.430 8.190 -0.013 0.000 0.474 113 T N 3.616 118.175 114.554 0.008 0.000 2.799 113 T HA 0.061 4.420 4.350 0.014 0.000 0.286 113 T C -0.947 173.768 174.700 0.025 0.000 0.973 113 T CA 0.052 62.161 62.100 0.015 0.000 1.035 113 T CB 0.774 69.651 68.868 0.015 0.000 0.932 113 T HN -0.078 8.483 8.240 0.003 -0.319 0.469 114 L N 5.886 127.124 121.223 0.024 0.000 2.375 114 L HA 0.136 4.630 4.340 0.033 -0.135 0.271 114 L C -0.690 176.193 176.870 0.022 0.000 1.107 114 L CA -0.192 54.663 54.840 0.026 0.000 0.806 114 L CB 0.898 42.970 42.059 0.021 0.000 1.146 114 L HN 0.266 8.508 8.230 0.020 0.000 0.447 115 N N 1.213 119.923 118.700 0.018 0.000 3.387 115 N HA 0.055 4.782 4.740 -0.022 0.000 0.294 115 N C -0.047 175.412 175.510 -0.086 0.000 1.519 115 N CA -0.489 52.556 53.050 -0.007 0.000 0.875 115 N CB 0.587 39.105 38.487 0.051 0.000 1.657 115 N HN 0.108 8.501 8.380 0.021 0.000 0.527 116 S N -4.040 111.518 115.700 -0.238 0.000 2.547 116 S HA -0.127 4.182 4.470 -0.267 0.000 0.235 116 S C 0.357 174.641 174.600 -0.527 0.000 0.980 116 S CA 2.240 60.190 58.200 -0.418 0.000 0.941 116 S CB -0.886 61.975 63.200 -0.564 0.000 0.763 116 S HN 0.238 8.414 8.310 -0.223 0.000 0.532 117 Y N -2.106 118.185 120.300 -0.014 0.000 2.449 117 Y HA 0.162 4.710 4.550 -0.004 0.000 0.254 117 Y C -0.805 175.108 175.900 0.023 0.000 1.140 117 Y CA -0.550 57.551 58.100 0.001 0.000 1.272 117 Y CB 1.556 40.018 38.460 0.004 0.000 1.114 117 Y HN -0.304 8.130 8.280 -0.146 -0.241 0.525 118 V N -0.025 119.955 119.914 0.110 0.000 2.498 118 V HA 0.430 4.783 4.120 0.107 -0.169 0.283 118 V C -1.631 174.497 176.094 0.055 0.000 1.015 118 V CA -1.464 60.891 62.300 0.092 0.000 0.867 118 V CB 0.683 32.555 31.823 0.081 0.000 1.025 118 V HN -0.609 7.572 8.190 0.057 0.043 0.441 119 Q N 4.735 124.573 119.800 0.063 0.000 2.456 119 Q HA 0.395 4.760 4.340 0.041 0.000 0.284 119 Q C -1.906 174.139 176.000 0.076 0.000 1.061 119 Q CA -2.067 53.768 55.803 0.052 0.000 0.799 119 Q CB 4.947 33.705 28.738 0.033 0.000 1.445 119 Q HN -0.082 8.137 8.270 0.082 0.101 0.411 120 L N -0.114 121.150 121.223 0.069 0.000 2.426 120 L HA 0.003 4.544 4.340 0.089 -0.147 0.271 120 L C 1.024 177.953 176.870 0.098 0.000 1.169 120 L CA -0.167 54.722 54.840 0.081 0.000 0.836 120 L CB 0.188 42.287 42.059 0.067 0.000 1.112 120 L HN 0.231 8.495 8.230 0.056 0.000 0.465 121 G N 2.492 111.359 108.800 0.112 0.000 2.403 121 G HA2 -0.067 3.975 3.960 0.137 0.000 0.259 121 G HA3 -0.067 3.992 3.960 0.166 0.000 0.259 121 G C -1.156 173.808 174.900 0.105 0.000 1.244 121 G CA -0.599 44.581 45.100 0.134 0.000 0.849 121 G HN 0.296 8.651 8.290 0.108 0.000 0.532 122 V N 3.421 123.408 119.914 0.121 0.000 2.461 122 V HA -0.016 4.145 4.120 0.067 0.000 0.275 122 V C -0.540 175.593 176.094 0.066 0.000 1.047 122 V CA 0.068 62.422 62.300 0.090 0.000 0.955 122 V CB 0.950 32.836 31.823 0.105 0.000 0.988 122 V HN 0.122 8.406 8.190 0.158 0.000 0.471 123 L N 7.274 128.510 121.223 0.022 0.000 2.344 123 L HA 0.500 4.816 4.340 -0.040 0.000 0.272 123 L C -1.237 175.590 176.870 -0.073 0.000 1.035 123 L CA -2.828 51.995 54.840 -0.028 0.000 0.807 123 L CB 0.191 42.240 42.059 -0.018 0.000 1.237 123 L HN 0.194 8.438 8.230 0.022 0.000 0.442 124 P HA 0.039 4.377 4.420 -0.136 0.000 0.272 124 P C -0.889 176.352 177.300 -0.099 0.000 1.230 124 P CA -0.767 62.205 63.100 -0.214 0.000 0.788 124 P CB 0.431 31.808 31.700 -0.539 0.000 0.949 125 R N -1.074 119.396 120.500 -0.051 0.000 2.679 125 R HA -0.161 4.166 4.340 -0.022 0.000 0.268 125 R C -0.011 176.272 176.300 -0.029 0.000 1.044 125 R CA 0.106 56.191 56.100 -0.025 0.000 1.105 125 R CB 0.598 30.894 30.300 -0.006 0.000 0.989 125 R HN 0.267 8.516 8.270 -0.035 0.000 0.447 126 A N 1.052 123.861 122.820 -0.018 0.000 2.565 126 A HA -0.352 4.112 4.320 -0.018 -0.155 0.237 126 A C 1.379 178.952 177.584 -0.017 0.000 1.053 126 A CA 1.190 53.218 52.037 -0.016 0.000 0.755 126 A CB -0.443 18.552 19.000 -0.009 0.000 0.980 126 A HN 0.212 8.353 8.150 -0.014 0.000 0.506 127 G N 3.366 112.151 108.800 -0.024 0.000 2.199 127 G HA2 -0.426 3.522 3.960 -0.021 0.000 0.254 127 G HA3 -0.426 3.513 3.960 -0.035 0.000 0.254 127 G C 0.013 174.908 174.900 -0.008 0.000 0.982 127 G CA -0.124 44.962 45.100 -0.023 0.000 0.632 127 G HN 0.264 8.536 8.290 -0.029 0.000 0.529 128 T N 3.871 118.429 114.554 0.006 0.000 2.888 128 T HA -0.127 4.244 4.350 0.035 0.000 0.301 128 T C -0.840 173.899 174.700 0.065 0.000 1.001 128 T CA 2.345 64.470 62.100 0.042 0.000 1.147 128 T CB 0.478 69.389 68.868 0.072 0.000 0.931 128 T HN -0.469 7.700 8.240 -0.006 0.068 0.541 129 I N 4.879 125.479 120.570 0.051 0.000 2.436 129 I HA 0.176 4.381 4.170 0.058 0.000 0.289 129 I C -0.472 175.663 176.117 0.029 0.000 1.010 129 I CA -1.662 59.663 61.300 0.042 0.000 1.098 129 I CB 0.952 38.959 38.000 0.011 0.000 1.266 129 I HN 0.072 8.305 8.210 0.038 0.000 0.434 130 L N 6.888 128.116 121.223 0.009 0.000 2.397 130 L HA 0.078 4.389 4.340 -0.048 0.000 0.271 130 L C -0.160 176.688 176.870 -0.036 0.000 1.148 130 L CA -0.704 54.106 54.840 -0.048 0.000 0.825 130 L CB 0.168 42.147 42.059 -0.133 0.000 1.117 130 L HN 0.224 8.467 8.230 0.022 0.000 0.456 131 A N 0.947 123.744 122.820 -0.039 0.000 2.507 131 A HA -0.195 4.114 4.320 -0.019 0.000 0.235 131 A C -0.965 176.596 177.584 -0.039 0.000 1.070 131 A CA -0.033 51.986 52.037 -0.029 0.000 0.768 131 A CB 0.775 19.759 19.000 -0.026 0.000 1.011 131 A HN 0.243 8.368 8.150 -0.043 0.000 0.502 132 N N 0.071 118.754 118.700 -0.030 0.000 2.353 132 N HA -0.448 4.267 4.740 -0.041 0.000 0.248 132 N C 0.275 175.761 175.510 -0.040 0.000 1.240 132 N CA 1.516 54.544 53.050 -0.036 0.000 0.862 132 N CB 0.472 38.939 38.487 -0.033 0.000 1.086 132 N HN 0.360 8.727 8.380 -0.022 0.000 0.453 133 N N 0.982 119.652 118.700 -0.049 0.000 2.776 133 N HA -0.388 4.417 4.740 -0.060 -0.102 0.250 133 N C -0.737 174.736 175.510 -0.062 0.000 1.112 133 N CA 1.329 54.350 53.050 -0.049 0.000 0.733 133 N CB -0.741 37.735 38.487 -0.018 0.000 1.097 133 N HN 0.132 8.383 8.380 -0.054 0.097 0.558 134 S N -1.018 114.627 115.700 -0.090 0.000 2.564 134 S HA 0.235 4.664 4.470 -0.069 0.000 0.278 134 S C -2.059 172.455 174.600 -0.143 0.000 1.333 134 S CA -0.310 57.829 58.200 -0.102 0.000 1.048 134 S CB 0.426 63.547 63.200 -0.133 0.000 0.900 134 S HN -0.378 7.843 8.310 -0.094 0.033 0.505 135 P HA 0.136 4.408 4.420 -0.247 0.000 0.282 135 P C -1.799 175.444 177.300 -0.095 0.000 1.274 135 P CA -0.002 63.055 63.100 -0.072 0.000 0.770 135 P CB 0.277 32.084 31.700 0.178 0.000 0.867 136 c N 0.538 118.954 118.600 -0.306 0.000 3.090 136 c HA 0.750 5.541 4.570 0.104 -0.159 0.305 136 c C -1.043 172.857 174.090 -0.315 0.000 1.292 136 c CA -1.042 55.193 56.329 -0.158 0.000 1.482 136 c CB 4.572 46.933 42.510 -0.248 0.000 1.897 136 c HN 0.104 7.962 8.230 -0.621 0.000 0.469 137 Y N -1.426 118.872 120.300 -0.004 0.000 2.376 137 Y HA 0.723 5.452 4.550 -0.041 -0.205 0.340 137 Y C -0.772 175.010 175.900 -0.197 0.000 0.965 137 Y CA -1.598 56.448 58.100 -0.090 0.000 1.078 137 Y CB 3.645 41.994 38.460 -0.185 0.000 1.193 137 Y HN 0.730 9.149 8.280 0.231 0.000 0.452 138 I N 3.802 124.362 120.570 -0.017 0.000 2.532 138 I HA 0.480 4.740 4.170 -0.093 -0.146 0.292 138 I C -1.499 174.552 176.117 -0.111 0.000 1.014 138 I CA -1.182 60.097 61.300 -0.035 0.000 1.340 138 I CB 2.590 40.653 38.000 0.105 0.000 1.422 138 I HN 0.301 8.513 8.210 0.003 0.000 0.528 139 T N 3.959 118.403 114.554 -0.182 0.000 2.907 139 T HA 1.017 5.417 4.350 -0.259 -0.204 0.292 139 T C -0.837 173.746 174.700 -0.195 0.000 1.043 139 T CA -2.466 59.470 62.100 -0.272 0.000 1.003 139 T CB 3.483 72.058 68.868 -0.488 0.000 1.084 139 T HN -0.293 7.853 8.240 -0.156 0.000 0.483 140 G N 0.428 109.050 108.800 -0.296 0.000 2.316 140 G HA2 0.195 4.297 3.960 -0.049 0.000 0.296 140 G HA3 0.195 3.974 3.960 -0.301 0.000 0.296 140 G C -1.992 172.700 174.900 -0.346 0.000 1.399 140 G CA 0.560 45.511 45.100 -0.247 0.000 0.833 140 G HN 0.027 8.103 8.290 -0.357 0.000 0.565 141 W N 0.481 121.730 121.300 -0.086 0.000 3.239 141 W HA 0.329 4.898 4.660 -0.151 0.000 0.368 141 W C 0.022 176.463 176.519 -0.129 0.000 1.154 141 W CA -0.740 56.480 57.345 -0.209 0.000 1.860 141 W CB 0.847 29.995 29.460 -0.519 0.000 1.094 141 W HN 0.575 8.927 8.180 0.288 0.000 0.643 142 G N -0.563 108.338 108.800 0.169 0.000 2.712 142 G HA2 0.013 4.281 3.960 0.162 0.000 0.258 142 G HA3 0.013 4.163 3.960 0.220 -0.059 0.258 142 G C -0.691 174.278 174.900 0.115 0.000 1.241 142 G CA -0.774 44.427 45.100 0.170 0.000 0.923 142 G HN -0.150 8.447 8.290 0.147 -0.218 0.548 143 L N -0.406 120.884 121.223 0.112 0.000 2.543 143 L HA -0.320 4.201 4.340 0.085 -0.130 0.285 143 L C 1.182 178.093 176.870 0.068 0.000 1.236 143 L CA 1.114 56.006 54.840 0.087 0.000 0.871 143 L CB -0.091 42.017 42.059 0.082 0.000 1.121 143 L HN 0.193 8.499 8.230 0.126 0.000 0.501 144 T N -4.682 109.906 114.554 0.058 0.000 3.081 144 T HA -0.012 4.606 4.350 0.046 -0.240 0.250 144 T C -0.284 174.442 174.700 0.044 0.000 1.100 144 T CA 0.384 62.513 62.100 0.048 0.000 1.038 144 T CB 1.428 70.322 68.868 0.043 0.000 0.962 144 T HN 0.082 8.357 8.240 0.059 0.000 0.516 148 N N 0.841 119.568 118.700 0.044 0.000 2.714 148 N HA -0.295 4.473 4.740 0.047 0.000 0.250 148 N C -0.669 174.866 175.510 0.042 0.000 1.117 148 N CA 1.180 54.255 53.050 0.042 0.000 0.719 148 N CB -0.487 38.020 38.487 0.034 0.000 1.081 148 N HN 0.496 8.906 8.380 0.049 0.000 0.557 149 G N -0.629 108.200 108.800 0.048 0.000 2.945 149 G HA2 0.245 4.287 3.960 0.046 0.000 0.156 149 G HA3 0.245 4.230 3.960 0.041 0.000 0.156 149 G C -2.169 172.763 174.900 0.054 0.000 1.375 149 G CA 0.117 45.245 45.100 0.047 0.000 1.039 149 G HN -0.310 7.976 8.290 0.051 0.034 0.586 150 Q N -2.254 117.579 119.800 0.056 0.000 2.433 150 Q HA 0.230 4.611 4.340 0.067 0.000 0.279 150 Q C -0.964 175.078 176.000 0.070 0.000 1.105 150 Q CA -1.606 54.234 55.803 0.062 0.000 0.815 150 Q CB 2.487 31.255 28.738 0.051 0.000 1.403 150 Q HN 0.223 8.524 8.270 0.052 0.000 0.435 151 L N 0.057 121.329 121.223 0.081 0.000 2.506 151 L HA -0.191 4.277 4.340 0.102 -0.066 0.281 151 L C 0.446 177.361 176.870 0.076 0.000 1.228 151 L CA 0.736 55.629 54.840 0.089 0.000 0.850 151 L CB 0.077 42.187 42.059 0.085 0.000 1.110 151 L HN 0.310 8.589 8.230 0.082 0.000 0.496 152 A N 2.111 124.985 122.820 0.091 0.000 2.407 152 A HA -0.035 4.326 4.320 0.069 0.000 0.248 152 A C -0.312 177.353 177.584 0.135 0.000 1.082 152 A CA 0.306 52.399 52.037 0.094 0.000 0.785 152 A CB 0.786 19.829 19.000 0.071 0.000 1.020 152 A HN -0.242 7.968 8.150 0.100 0.000 0.489 153 Q N -0.338 119.523 119.800 0.100 0.000 2.062 153 Q HA -0.096 4.399 4.340 0.067 -0.114 0.196 153 Q C 0.075 176.173 176.000 0.164 0.000 0.967 153 Q CA 2.561 58.420 55.803 0.094 0.000 0.832 153 Q CB 1.148 29.917 28.738 0.052 0.000 0.899 153 Q HN 0.374 8.688 8.270 0.074 0.000 0.442 154 T N -5.258 109.347 114.554 0.084 0.000 2.895 154 T HA 0.510 5.011 4.350 -0.093 -0.207 0.283 154 T C 0.122 174.676 174.700 -0.242 0.000 1.014 154 T CA -2.213 59.831 62.100 -0.093 0.000 1.037 154 T CB 1.747 70.539 68.868 -0.128 0.000 1.006 154 T HN -0.807 7.468 8.240 0.058 0.000 0.468 155 L N 3.527 124.402 121.223 -0.581 0.000 2.540 155 L HA -0.142 3.299 4.340 -1.499 0.000 0.276 155 L C -1.087 175.542 176.870 -0.401 0.000 1.212 155 L CA 1.247 55.549 54.840 -0.896 0.000 0.893 155 L CB 0.591 42.182 42.059 -0.780 0.000 1.138 155 L HN -0.111 7.708 8.230 -0.684 0.000 0.491 156 Q N 5.125 124.704 119.800 -0.368 0.000 2.257 156 Q HA 0.666 5.127 4.340 -0.078 -0.168 0.262 156 Q C -0.756 175.168 176.000 -0.128 0.000 0.997 156 Q CA -2.037 53.677 55.803 -0.149 0.000 0.873 156 Q CB 3.067 31.748 28.738 -0.095 0.000 1.312 156 Q HN 0.116 8.078 8.270 -0.513 0.000 0.450 157 Q N -1.414 118.380 119.800 -0.011 0.000 2.394 157 Q HA 1.030 5.555 4.340 -0.057 -0.219 0.273 157 Q C -2.142 173.961 176.000 0.173 0.000 1.089 157 Q CA -2.426 53.399 55.803 0.037 0.000 0.812 157 Q CB 4.717 33.501 28.738 0.076 0.000 1.353 157 Q HN 0.702 8.990 8.270 0.029 0.000 0.438 158 A N 0.538 123.495 122.820 0.229 0.000 2.422 158 A HA 0.442 4.927 4.320 0.276 0.000 0.302 158 A C -2.963 174.733 177.584 0.188 0.000 1.041 158 A CA -1.071 51.105 52.037 0.231 0.000 0.708 158 A CB 3.819 22.891 19.000 0.120 0.000 1.257 158 A HN 0.389 8.649 8.150 0.183 0.000 0.414 159 Y N 3.784 124.040 120.300 -0.074 0.000 2.480 159 Y HA 0.136 4.327 4.550 -0.872 -0.164 0.341 159 Y C -1.094 174.686 175.900 -0.200 0.000 1.031 159 Y CA -0.067 57.773 58.100 -0.433 0.000 1.295 159 Y CB -0.067 38.172 38.460 -0.367 0.000 1.162 159 Y HN 0.399 8.849 8.280 0.284 0.000 0.523 160 L N 9.162 130.033 121.223 -0.586 0.000 2.417 160 L HA 0.437 4.614 4.340 -0.270 0.000 0.259 160 L C -2.326 174.240 176.870 -0.506 0.000 1.023 160 L CA -3.006 51.609 54.840 -0.374 0.000 0.901 160 L CB 0.463 42.436 42.059 -0.144 0.000 1.227 160 L HN 0.119 7.933 8.230 -0.694 0.000 0.454 161 P HA 0.215 4.565 4.420 -0.460 -0.206 0.269 161 P C -0.035 177.144 177.300 -0.203 0.000 1.209 161 P CA -0.686 62.184 63.100 -0.384 0.000 0.776 161 P CB 0.660 32.211 31.700 -0.248 0.000 0.876 162 T N 0.136 114.587 114.554 -0.172 0.000 2.856 162 T HA 0.087 4.534 4.350 -0.096 -0.155 0.306 162 T C -0.205 174.461 174.700 -0.056 0.000 1.062 162 T CA -0.016 62.020 62.100 -0.107 0.000 1.083 162 T CB 0.810 69.611 68.868 -0.111 0.000 0.984 162 T HN 0.079 8.204 8.240 -0.191 0.000 0.542 163 V N 3.793 123.693 119.914 -0.022 0.000 2.376 163 V HA 0.536 4.801 4.120 -0.050 -0.176 0.287 163 V C -0.531 175.542 176.094 -0.036 0.000 1.015 163 V CA -1.811 60.469 62.300 -0.032 0.000 0.834 163 V CB 1.544 33.370 31.823 0.004 0.000 1.001 163 V HN 0.201 8.283 8.190 -0.007 0.103 0.428 164 D N 7.304 127.674 120.400 -0.050 0.000 2.363 164 D HA -0.074 4.579 4.640 0.020 0.000 0.240 164 D C 0.268 176.574 176.300 0.011 0.000 1.236 164 D CA -1.053 52.945 54.000 -0.004 0.000 0.927 164 D CB 1.210 42.009 40.800 -0.002 0.000 1.150 164 D HN 0.101 8.744 8.370 -0.066 -0.312 0.458 165 Y N 1.482 121.756 120.300 -0.043 0.000 2.165 165 Y HA -0.559 3.978 4.550 -0.022 0.000 0.286 165 Y C 1.132 177.008 175.900 -0.040 0.000 1.155 165 Y CA 4.340 62.421 58.100 -0.031 0.000 1.164 165 Y CB -0.008 38.441 38.460 -0.019 0.000 0.978 165 Y HN 0.360 8.753 8.280 0.189 0.000 0.513 166 A N -1.353 121.421 122.820 -0.078 0.000 1.908 166 A HA -0.272 3.913 4.320 -0.225 0.000 0.218 166 A C 2.308 179.751 177.584 -0.235 0.000 1.181 166 A CA 2.747 54.687 52.037 -0.162 0.000 0.627 166 A CB -0.756 18.220 19.000 -0.039 0.000 0.818 166 A HN 0.074 8.313 8.150 0.063 -0.051 0.445 167 I N -3.137 117.284 120.570 -0.248 0.000 2.277 167 I HA -0.424 3.536 4.170 -0.351 0.000 0.243 167 I C 2.247 178.043 176.117 -0.534 0.000 1.094 167 I CA 3.475 64.528 61.300 -0.412 0.000 1.393 167 I CB 0.193 37.918 38.000 -0.459 0.000 1.078 167 I HN -0.425 7.961 8.210 -0.194 -0.293 0.417 168 c N -0.301 118.085 118.600 -0.356 0.000 2.435 168 c HA -0.289 4.180 4.570 -0.169 0.000 0.279 168 c C 0.101 174.184 174.090 -0.012 0.000 1.321 168 c CA 2.039 58.285 56.329 -0.139 0.000 1.752 168 c CB -0.764 41.757 42.510 0.018 0.000 1.959 168 c HN 0.303 8.367 8.230 -0.278 0.000 0.500 169 S N 0.215 115.775 115.700 -0.234 0.000 3.965 169 S HA 0.345 4.951 4.470 -0.025 -0.151 0.195 169 S C 0.916 175.447 174.600 -0.115 0.000 1.449 169 S CA -0.588 57.484 58.200 -0.212 0.000 0.965 169 S CB -1.632 61.181 63.200 -0.645 0.000 1.459 169 S HN -0.167 7.893 8.310 -0.389 0.017 0.476 170 S N 2.323 118.070 115.700 0.079 0.000 2.620 170 S HA -0.485 3.951 4.470 -0.056 0.000 0.341 170 S C 0.756 175.292 174.600 -0.105 0.000 1.487 170 S CA 2.940 61.138 58.200 -0.003 0.000 1.207 170 S CB -0.737 62.474 63.200 0.017 0.000 0.761 170 S HN 0.290 8.671 8.310 0.117 0.000 0.546 171 Y N -0.368 119.883 120.300 -0.083 0.000 3.115 171 Y HA 0.267 4.925 4.550 -0.204 -0.230 0.252 171 Y C 1.800 177.606 175.900 -0.156 0.000 0.907 171 Y CA -0.805 57.221 58.100 -0.122 0.000 1.261 171 Y CB 0.877 39.332 38.460 -0.008 0.000 1.128 171 Y HN -0.588 7.888 8.280 0.326 0.000 0.541 172 W N -3.284 118.133 121.300 0.194 0.000 3.211 172 W HA -0.048 4.684 4.660 0.119 0.000 0.292 172 W C 0.110 176.678 176.519 0.081 0.000 1.268 172 W CA 0.619 58.040 57.345 0.128 0.000 1.702 172 W CB 1.614 31.163 29.460 0.149 0.000 1.092 172 W HN 0.205 8.689 8.180 0.505 0.000 0.643 173 G N -1.732 107.210 108.800 0.238 0.000 2.574 173 G HA2 -0.524 3.511 3.960 0.125 0.000 0.282 173 G HA3 -0.524 3.653 3.960 0.084 -0.167 0.282 173 G C 0.314 175.295 174.900 0.135 0.000 1.257 173 G CA 1.067 46.249 45.100 0.136 0.000 0.956 173 G HN -0.553 7.868 8.290 0.219 0.000 0.560 174 S N 1.049 116.815 115.700 0.111 0.000 2.650 174 S HA -0.017 4.514 4.470 0.101 0.000 0.219 174 S C 1.941 176.620 174.600 0.131 0.000 0.960 174 S CA 0.693 58.958 58.200 0.107 0.000 0.925 174 S CB -0.912 62.337 63.200 0.082 0.000 0.775 174 S HN 0.278 8.646 8.310 0.098 0.000 0.525 175 T N 4.298 118.960 114.554 0.180 0.000 2.759 175 T HA -0.299 4.106 4.350 0.090 0.000 0.269 175 T C 0.204 174.993 174.700 0.148 0.000 1.042 175 T CA 4.226 66.424 62.100 0.164 0.000 1.140 175 T CB -0.059 68.992 68.868 0.305 0.000 0.864 175 T HN -0.451 7.849 8.240 0.224 0.074 0.455 176 V N 0.746 120.766 119.914 0.176 0.000 2.607 176 V HA -0.111 4.078 4.120 0.115 0.000 0.289 176 V C -1.126 175.100 176.094 0.220 0.000 1.053 176 V CA -0.312 62.070 62.300 0.136 0.000 0.996 176 V CB 0.441 32.310 31.823 0.076 0.000 0.995 176 V HN -0.822 7.488 8.190 0.223 0.014 0.476 177 K N 3.903 124.418 120.400 0.192 0.000 2.238 177 K HA 0.363 4.829 4.320 0.243 0.000 0.239 177 K C 0.196 176.842 176.600 0.076 0.000 0.987 177 K CA -2.726 53.655 56.287 0.158 0.000 0.857 177 K CB 2.201 34.709 32.500 0.013 0.000 1.154 177 K HN -0.572 7.757 8.250 0.132 0.000 0.439 178 N N 0.467 119.041 118.700 -0.209 0.000 2.573 178 N HA -0.255 4.255 4.740 -0.383 0.000 0.187 178 N C 0.830 176.237 175.510 -0.171 0.000 1.107 178 N CA 2.181 55.005 53.050 -0.377 0.000 0.918 178 N CB 0.074 38.192 38.487 -0.615 0.000 0.966 178 N HN 0.492 8.733 8.380 -0.232 0.000 0.448 179 S N -5.569 110.058 115.700 -0.121 0.000 2.701 179 S HA -0.029 4.381 4.470 -0.100 0.000 0.220 179 S C -0.494 174.115 174.600 0.014 0.000 0.954 179 S CA 0.694 58.845 58.200 -0.082 0.000 0.936 179 S CB -1.035 62.081 63.200 -0.141 0.000 0.777 179 S HN -0.080 8.104 8.310 -0.123 0.052 0.518 180 M N 0.023 119.632 119.600 0.016 0.000 2.662 180 M HA 0.731 5.443 4.480 0.053 -0.200 0.310 180 M C -0.995 175.337 176.300 0.053 0.000 1.204 180 M CA -0.416 54.905 55.300 0.036 0.000 0.891 180 M CB 5.045 37.642 32.600 -0.005 0.000 1.732 180 M HN -0.628 7.560 8.290 0.002 0.103 0.467 181 V N -0.130 119.830 119.914 0.078 0.000 2.555 181 V HA 0.314 4.472 4.120 0.063 0.000 0.302 181 V C -1.903 174.273 176.094 0.136 0.000 1.038 181 V CA -2.246 60.103 62.300 0.082 0.000 0.887 181 V CB 2.568 34.411 31.823 0.034 0.000 0.991 181 V HN 0.551 8.801 8.190 0.101 0.000 0.434 182 c N 5.892 124.549 118.600 0.095 0.000 2.358 182 c HA 0.836 5.668 4.570 0.144 -0.175 0.342 182 c C -0.973 173.197 174.090 0.134 0.000 1.234 182 c CA -1.473 54.933 56.329 0.127 0.000 1.969 182 c CB 1.214 43.789 42.510 0.109 0.000 2.346 182 c HN 0.693 8.964 8.230 0.068 0.000 0.525 183 A N 2.464 125.418 122.820 0.224 0.000 2.520 183 A HA 0.816 5.434 4.320 0.029 -0.281 0.298 183 A C -1.594 176.071 177.584 0.135 0.000 1.051 183 A CA -1.398 50.701 52.037 0.104 0.000 0.690 183 A CB 3.158 22.131 19.000 -0.045 0.000 1.281 183 A HN 0.467 8.806 8.150 0.314 0.000 0.402 184 G N 2.268 111.097 108.800 0.048 0.000 2.603 184 G HA2 -0.298 3.703 3.960 0.068 0.000 0.245 184 G HA3 -0.298 3.663 3.960 0.001 0.000 0.245 184 G C -0.135 174.821 174.900 0.093 0.000 1.195 184 G CA -0.002 45.128 45.100 0.050 0.000 0.953 184 G HN 0.671 8.962 8.290 0.000 0.000 0.566 185 G N 0.489 109.345 108.800 0.095 0.000 2.136 185 G HA2 -0.373 3.654 3.960 0.112 0.000 0.242 185 G HA3 -0.373 3.620 3.960 0.054 0.000 0.242 185 G C 0.170 175.087 174.900 0.027 0.000 0.989 185 G CA 0.555 45.699 45.100 0.073 0.000 0.682 185 G HN 0.438 8.782 8.290 0.090 0.000 0.522 186 D N -1.555 118.864 120.400 0.032 0.000 2.349 186 D HA -0.081 4.569 4.640 0.016 0.000 0.224 186 D C 0.679 176.981 176.300 0.004 0.000 1.029 186 D CA -0.714 53.298 54.000 0.020 0.000 0.879 186 D CB -0.403 40.419 40.800 0.036 0.000 0.906 186 D HN 0.005 8.399 8.370 0.041 0.000 0.528 187 G N -0.445 108.353 108.800 -0.002 0.000 2.132 187 G HA2 -0.374 3.574 3.960 -0.019 0.000 0.228 187 G HA3 -0.374 3.574 3.960 -0.019 0.000 0.228 187 G C -0.080 174.824 174.900 0.007 0.000 1.000 187 G CA 0.047 45.141 45.100 -0.010 0.000 0.693 187 G HN -0.218 8.012 8.290 0.003 0.061 0.515 188 R N -1.941 118.587 120.500 0.047 0.000 2.457 188 R HA -0.352 4.265 4.340 0.056 -0.243 0.274 188 R C -0.225 176.108 176.300 0.055 0.000 0.935 188 R CA 0.692 56.826 56.100 0.056 0.000 1.115 188 R CB -0.162 30.178 30.300 0.068 0.000 0.860 188 R HN -0.126 8.529 8.270 0.044 -0.359 0.426 189 S N 2.179 117.914 115.700 0.059 0.000 2.558 189 S HA 0.201 4.714 4.470 0.073 0.000 0.277 189 S C -1.262 173.374 174.600 0.060 0.000 1.143 189 S CA -0.179 58.059 58.200 0.063 0.000 0.865 189 S CB 3.556 66.789 63.200 0.055 0.000 1.102 189 S HN -0.120 8.226 8.310 0.059 0.000 0.454 190 G N 1.424 110.255 108.800 0.052 0.000 2.699 190 G HA2 0.233 4.190 3.960 -0.005 0.000 0.246 190 G HA3 0.233 4.337 3.960 0.049 -0.114 0.246 190 G C -2.115 172.807 174.900 0.037 0.000 1.219 190 G CA 0.299 45.418 45.100 0.032 0.000 0.866 190 G HN -0.187 8.133 8.290 0.050 0.000 0.572 191 c N -0.568 118.064 118.600 0.053 0.000 3.336 191 c HA 0.207 4.817 4.570 0.066 0.000 0.339 191 c C -1.561 172.586 174.090 0.095 0.000 1.468 191 c CA -0.859 55.512 56.329 0.070 0.000 1.287 191 c CB 3.316 45.868 42.510 0.070 0.000 1.682 191 c HN 0.029 8.579 8.230 0.059 -0.284 0.451 192 Q N 1.135 120.999 119.800 0.106 0.000 2.315 192 Q HA -0.224 4.199 4.340 0.138 0.000 0.289 192 Q C 2.183 178.284 176.000 0.168 0.000 1.044 192 Q CA 1.890 57.772 55.803 0.132 0.000 0.920 192 Q CB -0.043 28.767 28.738 0.120 0.000 1.214 192 Q HN 0.726 9.053 8.270 0.095 0.000 0.392 193 G N 6.000 114.921 108.800 0.202 0.000 2.213 193 G HA2 -0.222 3.941 3.960 0.337 0.000 0.236 193 G HA3 -0.222 3.904 3.960 0.275 0.000 0.236 193 G C -0.331 174.775 174.900 0.344 0.000 0.991 193 G CA -0.066 45.212 45.100 0.297 0.000 0.629 193 G HN 0.481 nan 8.290 nan 0.000 0.517 194 D N 0.855 121.385 120.400 0.217 0.000 2.305 194 D HA -0.018 4.752 4.640 0.218 0.000 0.206 194 D C 1.131 177.505 176.300 0.124 0.000 0.974 194 D CA -0.004 54.098 54.000 0.171 0.000 0.871 194 D CB 0.521 41.381 40.800 0.100 0.000 0.947 194 D HN -0.071 8.325 8.370 0.178 0.081 0.516 195 S N 0.734 116.500 115.700 0.111 0.000 2.561 195 S HA -0.200 4.300 4.470 0.050 0.000 0.294 195 S C 1.268 175.858 174.600 -0.016 0.000 1.294 195 S CA 1.065 59.301 58.200 0.061 0.000 1.055 195 S CB 0.035 63.316 63.200 0.135 0.000 0.819 195 S HN -0.125 nan 8.310 nan 0.000 0.503 196 G N 4.457 113.221 108.800 -0.061 0.000 2.284 196 G HA2 -0.419 3.601 3.960 -0.092 0.000 0.247 196 G HA3 -0.419 3.551 3.960 -0.109 -0.076 0.247 196 G C -0.259 174.644 174.900 0.005 0.000 1.012 196 G CA 0.310 45.368 45.100 -0.071 0.000 0.618 196 G HN 0.501 8.649 8.290 -0.051 0.111 0.521 197 G N 0.986 109.815 108.800 0.048 0.000 2.588 197 G HA2 0.386 4.387 3.960 0.067 0.000 0.281 197 G HA3 0.386 4.446 3.960 0.056 -0.066 0.281 197 G C -2.640 172.266 174.900 0.011 0.000 1.236 197 G CA -1.999 43.131 45.100 0.050 0.000 0.969 197 G HN -0.397 7.833 8.290 0.057 0.094 0.504 198 P HA 0.379 4.860 4.420 -0.189 -0.174 0.281 198 P C -1.913 175.168 177.300 -0.365 0.000 1.249 198 P CA -1.163 61.759 63.100 -0.296 0.000 0.810 198 P CB 1.786 33.105 31.700 -0.635 0.000 1.008 199 L N 1.780 122.765 121.223 -0.398 0.000 2.294 199 L HA 0.359 4.573 4.340 -0.451 -0.144 0.283 199 L C -1.786 174.863 176.870 -0.368 0.000 1.015 199 L CA -1.524 53.012 54.840 -0.506 0.000 0.831 199 L CB 2.017 43.519 42.059 -0.928 0.000 1.217 199 L HN -0.165 7.886 8.230 -0.298 0.000 0.420 200 H N 6.521 125.513 119.070 -0.129 0.000 2.552 200 H HA 0.460 5.296 4.556 0.163 -0.182 0.311 200 H C -0.892 174.589 175.328 0.255 0.000 1.071 200 H CA -1.249 54.853 56.048 0.090 0.000 1.307 200 H CB 0.789 30.535 29.762 -0.027 0.000 1.416 200 H HN 0.492 8.652 8.280 -0.200 0.000 0.464 201 c N 3.384 122.219 118.600 0.392 0.000 2.455 201 c HA 0.472 5.303 4.570 0.207 -0.137 0.320 201 c C -1.230 172.915 174.090 0.091 0.000 1.226 201 c CA -0.712 55.706 56.329 0.149 0.000 1.569 201 c CB 2.246 44.600 42.510 -0.260 0.000 2.200 201 c HN 0.890 9.374 8.230 0.423 0.000 0.491 202 L N 5.552 126.694 121.223 -0.135 0.000 2.278 202 L HA 0.296 4.551 4.340 -0.603 -0.277 0.287 202 L C -1.438 175.313 176.870 -0.198 0.000 1.072 202 L CA -0.154 54.425 54.840 -0.435 0.000 0.819 202 L CB 0.694 42.400 42.059 -0.589 0.000 1.176 202 L HN -0.038 8.168 8.230 -0.040 0.000 0.435 203 V N 7.772 127.612 119.914 -0.123 0.000 2.623 203 V HA 0.219 4.299 4.120 -0.067 0.000 0.304 203 V C -1.019 175.057 176.094 -0.031 0.000 1.054 203 V CA -1.196 61.073 62.300 -0.053 0.000 0.882 203 V CB 2.652 34.484 31.823 0.016 0.000 1.002 203 V HN 0.510 8.627 8.190 -0.122 0.000 0.424 204 N N 6.937 125.619 118.700 -0.030 0.000 2.716 204 N HA -0.313 4.415 4.740 -0.021 0.000 0.250 204 N C -0.472 175.021 175.510 -0.028 0.000 1.033 204 N CA 0.976 54.014 53.050 -0.020 0.000 0.727 204 N CB -0.789 37.697 38.487 -0.002 0.000 0.950 204 N HN 0.701 9.062 8.380 -0.032 0.000 0.541 205 G N -7.282 101.485 108.800 -0.055 0.000 2.179 205 G HA2 -0.454 3.482 3.960 -0.039 0.000 0.260 205 G HA3 -0.454 3.458 3.960 -0.079 0.000 0.260 205 G C -0.943 173.915 174.900 -0.071 0.000 0.977 205 G CA 0.031 45.094 45.100 -0.063 0.000 0.641 205 G HN -0.055 8.159 8.290 -0.070 0.034 0.533 206 Q N -0.801 118.963 119.800 -0.060 0.000 2.413 206 Q HA 0.391 4.730 4.340 -0.001 0.000 0.276 206 Q C -1.157 174.828 176.000 -0.025 0.000 1.099 206 Q CA -2.198 53.600 55.803 -0.007 0.000 0.814 206 Q CB 3.542 32.310 28.738 0.051 0.000 1.379 206 Q HN -0.502 7.674 8.270 -0.051 0.064 0.436 207 Y N 1.391 121.771 120.300 0.134 0.000 2.319 207 Y HA 0.130 5.010 4.550 0.217 -0.200 0.328 207 Y C -0.263 175.768 175.900 0.220 0.000 1.133 207 Y CA 0.979 59.207 58.100 0.213 0.000 1.265 207 Y CB 0.825 39.461 38.460 0.292 0.000 1.218 207 Y HN 0.432 8.865 8.280 0.256 0.000 0.508 208 A N 0.832 123.906 122.820 0.423 0.000 2.469 208 A HA 0.527 5.114 4.320 0.278 -0.101 0.299 208 A C -2.220 175.578 177.584 0.357 0.000 1.098 208 A CA -1.950 50.283 52.037 0.328 0.000 0.737 208 A CB 4.191 23.329 19.000 0.230 0.000 1.312 208 A HN 0.489 8.906 8.150 0.446 0.000 0.414 209 V N 1.498 121.521 119.914 0.181 0.000 2.338 209 V HA 0.127 4.451 4.120 0.046 -0.177 0.255 209 V C 0.370 176.466 176.094 0.003 0.000 1.082 209 V CA -0.102 62.236 62.300 0.064 0.000 0.951 209 V CB -1.590 30.237 31.823 0.008 0.000 1.102 209 V HN 0.361 8.633 8.190 0.136 0.000 0.489 210 H N 7.084 126.119 119.070 -0.058 0.000 2.544 210 H HA 0.073 4.619 4.556 -0.017 0.000 0.269 210 H C -0.214 175.064 175.328 -0.082 0.000 0.970 210 H CA 1.965 57.978 56.048 -0.059 0.000 1.219 210 H CB 1.559 31.275 29.762 -0.076 0.000 1.421 210 H HN 0.136 8.542 8.280 0.210 0.000 0.555 211 G N -4.028 104.745 108.800 -0.045 0.000 2.612 211 G HA2 0.457 4.329 3.960 -0.146 0.000 0.298 211 G HA3 0.457 4.681 3.960 0.057 -0.230 0.298 211 G C -2.809 172.125 174.900 0.057 0.000 1.336 211 G CA -0.477 44.611 45.100 -0.019 0.000 0.953 211 G HN -0.728 7.510 8.290 -0.086 0.000 0.482 212 V N 2.563 122.567 119.914 0.150 0.000 2.378 212 V HA 0.623 4.993 4.120 0.087 -0.198 0.288 212 V C -0.166 176.023 176.094 0.159 0.000 1.016 212 V CA -2.714 59.649 62.300 0.106 0.000 0.840 212 V CB 1.652 33.473 31.823 -0.003 0.000 0.994 212 V HN 0.071 8.356 8.190 0.160 0.000 0.431 213 T N 9.544 124.196 114.554 0.163 0.000 2.871 213 T HA -0.194 3.874 4.350 -0.469 0.000 0.296 213 T C -0.419 174.210 174.700 -0.118 0.000 0.998 213 T CA 2.729 64.760 62.100 -0.116 0.000 1.162 213 T CB -0.287 68.548 68.868 -0.056 0.000 0.947 213 T HN 0.381 8.722 8.240 0.168 0.000 0.536 214 S N 7.488 123.045 115.700 -0.239 0.000 2.979 214 S HA 0.244 4.835 4.470 0.201 0.000 0.243 214 S C -1.131 173.544 174.600 0.123 0.000 1.036 214 S CA 0.150 58.374 58.200 0.040 0.000 0.846 214 S CB 1.994 65.226 63.200 0.053 0.000 0.806 214 S HN 0.271 8.267 8.310 -0.524 0.000 0.568 215 F N -3.522 116.299 119.950 -0.215 0.000 2.686 215 F HA 0.416 4.871 4.527 -0.121 0.000 0.311 215 F C -1.939 173.776 175.800 -0.142 0.000 1.128 215 F CA -1.052 56.845 58.000 -0.172 0.000 0.946 215 F CB 1.363 40.251 39.000 -0.186 0.000 1.336 215 F HN -0.421 7.543 8.300 -0.560 0.000 0.457 216 V N -2.354 117.716 119.914 0.261 0.000 5.043 216 V HA 0.450 4.794 4.120 0.373 0.000 0.147 216 V C -0.357 176.087 176.094 0.583 0.000 0.943 216 V CA -0.951 61.555 62.300 0.344 0.000 1.408 216 V CB 1.487 33.414 31.823 0.173 0.000 2.221 216 V HN 0.125 8.492 8.190 0.294 0.000 0.440 217 R N -0.877 119.706 120.500 0.139 0.000 2.335 217 R HA 0.170 4.560 4.340 0.084 0.000 0.210 217 R C 2.755 179.080 176.300 0.042 0.000 0.892 217 R CA 0.290 56.436 56.100 0.078 0.000 1.048 217 R CB 0.582 30.913 30.300 0.051 0.000 1.067 217 R HN 0.089 8.452 8.270 0.156 0.000 0.524 218 L N 0.242 121.477 121.223 0.021 0.000 2.567 218 L HA 0.018 4.357 4.340 -0.001 0.000 0.225 218 L C -0.862 176.009 176.870 0.002 0.000 1.119 218 L CA -0.960 53.877 54.840 -0.004 0.000 0.871 218 L CB 0.187 42.224 42.059 -0.037 0.000 1.036 218 L HN -0.118 8.123 8.230 0.019 0.000 0.459 219 G N -3.921 104.893 108.800 0.023 0.000 2.350 219 G HA2 0.005 3.975 3.960 0.016 0.000 0.304 219 G HA3 0.005 3.987 3.960 0.036 0.000 0.304 219 G C -1.925 173.004 174.900 0.048 0.000 1.421 219 G CA -0.716 44.402 45.100 0.030 0.000 0.934 219 G HN -0.939 7.166 8.290 0.039 0.208 0.632 220 c N 1.230 119.860 118.600 0.050 0.000 2.511 220 c HA -0.102 4.514 4.570 0.078 0.000 0.300 220 c C -1.391 172.730 174.090 0.051 0.000 1.393 220 c CA 0.447 56.812 56.329 0.060 0.000 1.637 220 c CB -2.379 40.165 42.510 0.056 0.000 1.637 220 c HN -0.139 8.117 8.230 0.043 0.000 0.595 221 V N -3.406 116.497 119.914 -0.017 0.000 2.323 221 V HA -0.085 4.001 4.120 -0.058 0.000 0.272 221 V C -2.323 173.714 176.094 -0.095 0.000 1.806 221 V CA -0.410 61.852 62.300 -0.064 0.000 0.734 221 V CB 0.931 32.699 31.823 -0.092 0.000 1.276 221 V HN -0.673 7.515 8.190 -0.004 0.000 0.470 222 T N 7.661 122.150 114.554 -0.107 0.000 2.902 222 T HA 0.068 4.561 4.350 -0.105 -0.206 0.301 222 T C 1.082 175.631 174.700 -0.251 0.000 1.012 222 T CA 2.113 64.129 62.100 -0.139 0.000 1.151 222 T CB 0.162 68.959 68.868 -0.118 0.000 0.946 222 T HN 0.242 8.425 8.240 -0.094 0.000 0.542 223 R N -0.796 119.510 120.500 -0.324 0.000 3.951 223 R HA -0.492 3.389 4.340 -0.765 0.000 0.352 223 R C -1.525 174.471 176.300 -0.507 0.000 1.178 223 R CA 2.061 57.764 56.100 -0.661 0.000 0.949 223 R CB -1.400 28.330 30.300 -0.951 0.000 1.452 223 R HN 0.435 8.571 8.270 -0.223 0.000 0.540 224 K N -1.907 118.311 120.400 -0.303 0.000 2.762 224 K HA 0.541 4.445 4.320 -0.693 0.000 0.180 224 K C -2.161 174.526 176.600 0.145 0.000 1.067 224 K CA -3.244 52.829 56.287 -0.357 0.000 0.973 224 K CB 0.482 32.670 32.500 -0.519 0.000 1.290 224 K HN -0.586 7.465 8.250 -0.216 0.069 0.604 225 P HA -0.106 4.528 4.420 0.210 -0.088 0.269 225 P C -0.012 177.491 177.300 0.338 0.000 1.217 225 P CA -0.180 63.112 63.100 0.321 0.000 0.783 225 P CB 0.617 32.514 31.700 0.328 0.000 0.898 226 T N 3.150 117.791 114.554 0.145 0.000 2.940 226 T HA -0.086 4.193 4.350 -0.119 0.000 0.309 226 T C -0.501 173.996 174.700 -0.339 0.000 1.056 226 T CA 2.247 64.276 62.100 -0.118 0.000 1.137 226 T CB 0.300 69.073 68.868 -0.158 0.000 0.976 226 T HN -0.147 8.186 8.240 0.156 0.000 0.547 227 V N 3.995 123.418 119.914 -0.818 0.000 2.513 227 V HA 0.458 4.429 4.120 -0.493 -0.146 0.299 227 V C -1.405 174.106 176.094 -0.971 0.000 1.035 227 V CA -1.239 60.496 62.300 -0.942 0.000 0.889 227 V CB 1.323 32.049 31.823 -1.828 0.000 0.988 227 V HN 0.269 7.945 8.190 -0.858 0.000 0.440 228 F N 5.133 124.887 119.950 -0.326 0.000 2.563 228 F HA 0.523 5.090 4.527 -0.166 -0.139 0.316 228 F C 0.194 175.918 175.800 -0.127 0.000 1.076 228 F CA -2.084 55.807 58.000 -0.181 0.000 0.921 228 F CB 3.856 42.785 39.000 -0.118 0.000 1.209 228 F HN 0.905 9.186 8.300 -0.033 0.000 0.462 229 T N 4.469 119.069 114.554 0.076 0.000 2.888 229 T HA -0.138 4.243 4.350 0.052 0.000 0.301 229 T C -0.225 174.544 174.700 0.115 0.000 1.001 229 T CA 2.031 64.161 62.100 0.050 0.000 1.147 229 T CB 0.233 69.053 68.868 -0.079 0.000 0.931 229 T HN 0.503 8.775 8.240 0.052 0.000 0.541 230 R N 8.175 128.770 120.500 0.157 0.000 2.248 230 R HA 0.024 4.575 4.340 0.112 -0.143 0.337 230 R C 1.481 177.905 176.300 0.207 0.000 1.085 230 R CA -0.277 55.909 56.100 0.142 0.000 0.934 230 R CB -0.052 30.303 30.300 0.091 0.000 1.034 230 R HN 0.145 8.518 8.270 0.171 0.000 0.465 231 V N 8.730 128.724 119.914 0.133 0.000 2.324 231 V HA -0.440 3.804 4.120 0.206 0.000 0.250 231 V C 1.238 177.411 176.094 0.132 0.000 1.060 231 V CA 4.060 66.442 62.300 0.137 0.000 1.042 231 V CB -0.635 31.206 31.823 0.029 0.000 0.650 231 V HN 0.157 8.400 8.190 0.088 0.000 0.450 232 S N -2.953 112.766 115.700 0.032 0.000 2.547 232 S HA -0.167 4.294 4.470 -0.014 0.000 0.235 232 S C 1.333 175.925 174.600 -0.013 0.000 0.980 232 S CA 2.134 60.328 58.200 -0.009 0.000 0.941 232 S CB -1.170 62.004 63.200 -0.045 0.000 0.763 232 S HN 0.392 8.688 8.310 0.014 0.023 0.532 233 A N 1.962 124.762 122.820 -0.033 0.000 2.208 233 A HA 0.015 4.216 4.320 -0.197 0.000 0.209 233 A C 0.379 177.709 177.584 -0.423 0.000 1.161 233 A CA 1.832 53.715 52.037 -0.257 0.000 0.782 233 A CB 0.185 18.943 19.000 -0.403 0.000 0.816 233 A HN -0.345 7.674 8.150 0.044 0.157 0.477 234 Y N -5.877 114.467 120.300 0.075 0.000 2.682 234 Y HA 0.226 4.897 4.550 0.203 0.000 0.251 234 Y C 0.048 176.064 175.900 0.194 0.000 1.172 234 Y CA -1.093 57.112 58.100 0.175 0.000 1.186 234 Y CB 0.801 39.381 38.460 0.199 0.000 1.216 234 Y HN -0.471 7.732 8.280 0.168 0.177 0.540 235 I N 0.316 120.991 120.570 0.175 0.000 2.179 235 I HA -0.540 3.696 4.170 0.110 0.000 0.242 235 I C 1.445 177.615 176.117 0.089 0.000 1.088 235 I CA 3.177 64.541 61.300 0.106 0.000 1.357 235 I CB -0.886 37.138 38.000 0.039 0.000 1.051 235 I HN -0.264 8.012 8.210 0.110 0.000 0.409 236 S N -0.669 115.086 115.700 0.093 0.000 2.382 236 S HA -0.271 4.210 4.470 0.018 0.000 0.228 236 S C 1.799 176.451 174.600 0.086 0.000 1.027 236 S CA 3.767 62.006 58.200 0.065 0.000 0.991 236 S CB -0.617 62.623 63.200 0.066 0.000 0.823 236 S HN 0.291 8.654 8.310 0.089 0.000 0.469 237 W N 2.532 123.851 121.300 0.032 0.000 2.335 237 W HA -0.348 4.302 4.660 -0.017 0.000 0.311 237 W C 1.299 177.797 176.519 -0.034 0.000 1.213 237 W CA 3.101 60.463 57.345 0.029 0.000 1.274 237 W CB -0.064 29.507 29.460 0.185 0.000 1.148 237 W HN -0.519 7.886 8.180 0.375 0.000 0.498 238 I N -2.115 118.420 120.570 -0.058 0.000 2.127 238 I HA -0.790 2.970 4.170 -0.683 0.000 0.241 238 I C 1.863 177.720 176.117 -0.433 0.000 1.075 238 I CA 4.659 65.753 61.300 -0.344 0.000 1.334 238 I CB -0.448 37.517 38.000 -0.059 0.000 1.040 238 I HN 0.096 8.467 8.210 0.269 0.000 0.405 239 N N -0.285 118.264 118.700 -0.250 0.000 2.166 239 N HA -0.390 4.189 4.740 -0.270 0.000 0.186 239 N C 2.349 177.688 175.510 -0.286 0.000 1.019 239 N CA 3.249 56.154 53.050 -0.242 0.000 0.856 239 N CB -0.177 38.231 38.487 -0.131 0.000 0.993 239 N HN -0.182 8.110 8.380 -0.147 0.000 0.426 240 N N 0.517 119.048 118.700 -0.282 0.000 2.120 240 N HA -0.251 4.371 4.740 -0.197 0.000 0.188 240 N C 1.943 177.229 175.510 -0.373 0.000 1.024 240 N CA 2.910 55.798 53.050 -0.269 0.000 0.852 240 N CB -0.440 37.923 38.487 -0.206 0.000 1.003 240 N HN -0.056 8.174 8.380 -0.249 0.000 0.424 241 V N 1.137 120.684 119.914 -0.611 0.000 2.295 241 V HA -0.376 3.459 4.120 -0.476 0.000 0.246 241 V C 2.229 177.956 176.094 -0.612 0.000 1.049 241 V CA 3.956 65.866 62.300 -0.649 0.000 1.024 241 V CB -0.510 30.722 31.823 -0.985 0.000 0.648 241 V HN -0.159 7.584 8.190 -0.746 0.000 0.447 242 I N -0.965 119.139 120.570 -0.778 0.000 2.226 242 I HA -0.495 2.994 4.170 -1.135 0.000 0.245 242 I C 2.393 178.323 176.117 -0.312 0.000 1.100 242 I CA 4.130 64.950 61.300 -0.801 0.000 1.374 242 I CB -0.568 36.915 38.000 -0.863 0.000 1.057 242 I HN -0.343 7.406 8.210 -0.768 0.000 0.413 243 A N -1.294 121.378 122.820 -0.247 0.000 2.014 243 A HA -0.218 4.048 4.320 -0.090 0.000 0.218 243 A C 1.080 178.617 177.584 -0.078 0.000 1.163 243 A CA 2.491 54.453 52.037 -0.125 0.000 0.652 243 A CB -0.577 18.352 19.000 -0.118 0.000 0.808 243 A HN -0.085 7.886 8.150 -0.298 0.000 0.449 244 S N -1.969 113.668 115.700 -0.105 0.000 2.362 244 S HA -0.065 4.380 4.470 -0.042 0.000 0.221 244 S C 0.934 175.540 174.600 0.010 0.000 1.032 244 S CA 1.995 60.162 58.200 -0.055 0.000 0.973 244 S CB 0.367 63.517 63.200 -0.085 0.000 0.849 244 S HN -0.376 7.695 8.310 -0.169 0.138 0.465 245 N N 0.000 118.739 118.700 0.065 0.000 1.763 245 N HA 0.000 4.822 4.740 0.137 0.000 0.220 245 N CA 0.000 53.172 53.050 0.204 0.000 0.885 245 N CB 0.000 38.727 38.487 0.401 0.000 1.341 245 N HN 0.000 8.387 8.380 0.012 0.000 0.667