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 3lh3_1_D DATA FIRST_RESID 40 DATA SEQUENCE TDETPASYNL AVRRAAPAVV NVYNRGLNTN SHNQLEIRTL GSGVIMDQRG DATA SEQUENCE YIITNKHVIN DADQIIVALQ DGRVFEALLV GSDSLTDLAV LKINATGGLP DATA SEQUENCE TIPINARRVP HIGDVVLAIG NPYNLGQTIT QGIISATGRI GLNPTGRQNF DATA SEQUENCE LQTDASINHG NXGGALVNSL GELMGINTLS FDXXXXXETP EGIGFAIPFQ DATA SEQUENCE LATKIMDKLI RDGRVIR 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 40 T HA 0.000 4.347 4.350 -0.006 0.000 0.228 40 T C 0.000 174.696 174.700 -0.007 0.000 1.109 40 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 40 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 41 D N 1.778 122.174 120.400 -0.007 0.000 2.395 41 D HA 0.036 4.671 4.640 -0.008 0.000 0.213 41 D C -1.058 175.236 176.300 -0.010 0.000 1.110 41 D CA 0.143 54.138 54.000 -0.008 0.000 0.835 41 D CB 0.792 41.588 40.800 -0.007 0.000 0.965 41 D HN 0.100 8.466 8.370 -0.007 0.000 0.505 42 E N 0.250 120.443 120.200 -0.011 0.000 2.404 42 E HA 0.045 4.387 4.350 -0.014 0.000 0.261 42 E C -0.736 175.854 176.600 -0.017 0.000 1.074 42 E CA 0.592 56.984 56.400 -0.014 0.000 0.917 42 E CB 0.877 30.569 29.700 -0.014 0.000 0.965 42 E HN -0.195 8.106 8.360 -0.010 0.053 0.433 43 T N 4.090 118.631 114.554 -0.022 0.000 2.758 43 T HA 0.238 4.573 4.350 -0.025 0.000 0.285 43 T C -2.056 172.622 174.700 -0.037 0.000 0.981 43 T CA -2.269 59.815 62.100 -0.027 0.000 0.965 43 T CB 0.403 69.253 68.868 -0.029 0.000 0.927 43 T HN -0.154 8.073 8.240 -0.022 0.000 0.448 44 P HA 0.054 4.448 4.420 -0.044 0.000 0.271 44 P C -0.219 177.034 177.300 -0.079 0.000 1.216 44 P CA -0.330 62.740 63.100 -0.049 0.000 0.776 44 P CB 0.400 32.076 31.700 -0.040 0.000 0.881 45 A N 2.547 125.308 122.820 -0.097 0.000 2.511 45 A HA -0.118 4.098 4.320 -0.173 0.000 0.242 45 A C -0.587 176.862 177.584 -0.225 0.000 1.069 45 A CA 0.788 52.725 52.037 -0.166 0.000 0.763 45 A CB -0.080 18.826 19.000 -0.156 0.000 1.001 45 A HN 0.015 8.118 8.150 -0.079 0.000 0.498 46 S N 1.550 117.036 115.700 -0.357 0.000 2.558 46 S HA 0.054 4.344 4.470 -0.299 0.000 0.277 46 S C -1.122 173.201 174.600 -0.461 0.000 1.143 46 S CA -0.142 57.861 58.200 -0.329 0.000 0.865 46 S CB 0.790 63.908 63.200 -0.137 0.000 1.102 46 S HN -0.143 7.921 8.310 -0.412 0.000 0.454 47 Y N 2.542 122.843 120.300 0.001 0.000 2.681 47 Y HA 0.194 4.743 4.550 -0.001 0.000 0.267 47 Y C 0.162 176.061 175.900 -0.001 0.000 1.166 47 Y CA -0.766 57.334 58.100 -0.001 0.000 1.209 47 Y CB -0.161 38.298 38.460 -0.001 0.000 1.161 47 Y HN 0.234 8.493 8.280 -0.035 0.000 0.534 48 N N 1.629 120.372 118.700 0.071 0.000 2.205 48 N HA -0.372 4.405 4.740 0.061 0.000 0.186 48 N C 1.076 176.614 175.510 0.046 0.000 1.015 48 N CA 3.328 56.408 53.050 0.050 0.000 0.862 48 N CB 0.289 38.786 38.487 0.017 0.000 0.986 48 N HN -0.429 7.889 8.380 0.017 0.072 0.429 49 L N -0.215 121.034 121.223 0.043 0.000 2.017 49 L HA -0.291 4.063 4.340 0.024 0.000 0.208 49 L C 1.004 177.899 176.870 0.042 0.000 1.073 49 L CA 3.143 58.005 54.840 0.036 0.000 0.745 49 L CB -0.478 41.600 42.059 0.031 0.000 0.894 49 L HN -0.179 8.055 8.230 0.040 0.019 0.432 50 A N -2.332 120.529 122.820 0.067 0.000 1.908 50 A HA -0.361 3.977 4.320 0.030 0.000 0.218 50 A C 2.139 179.743 177.584 0.033 0.000 1.181 50 A CA 2.940 55.006 52.037 0.048 0.000 0.627 50 A CB -1.218 17.819 19.000 0.062 0.000 0.818 50 A HN 0.010 8.219 8.150 0.098 0.000 0.445 51 V N -1.633 118.309 119.914 0.047 0.000 2.295 51 V HA -0.627 3.509 4.120 0.027 0.000 0.246 51 V C 2.409 178.517 176.094 0.023 0.000 1.049 51 V CA 4.295 66.616 62.300 0.034 0.000 1.024 51 V CB -0.354 31.495 31.823 0.044 0.000 0.648 51 V HN -0.611 7.540 8.190 0.066 0.079 0.447 52 R N -1.179 119.335 120.500 0.024 0.000 2.120 52 R HA -0.289 4.061 4.340 0.017 0.000 0.234 52 R C 2.233 178.541 176.300 0.012 0.000 1.123 52 R CA 3.283 59.394 56.100 0.017 0.000 0.975 52 R CB -0.307 30.003 30.300 0.016 0.000 0.866 52 R HN -0.087 8.200 8.270 0.028 0.000 0.446 53 R N -3.564 116.942 120.500 0.010 0.000 2.093 53 R HA -0.134 4.208 4.340 0.003 0.000 0.224 53 R C 0.716 177.014 176.300 -0.003 0.000 1.101 53 R CA 2.729 58.831 56.100 0.002 0.000 0.979 53 R CB 0.315 30.614 30.300 -0.001 0.000 0.877 53 R HN -0.500 7.763 8.270 0.013 0.015 0.441 54 A N -3.319 119.500 122.820 -0.003 0.000 1.984 54 A HA 0.204 4.515 4.320 -0.015 0.000 0.203 54 A C 1.398 178.981 177.584 -0.002 0.000 1.292 54 A CA 1.140 53.171 52.037 -0.010 0.000 0.782 54 A CB 0.583 19.572 19.000 -0.019 0.000 0.924 54 A HN -0.482 7.669 8.150 0.002 0.000 0.475 55 A N -0.116 122.706 122.820 0.004 0.000 1.917 55 A HA -0.109 4.214 4.320 0.005 0.000 0.219 55 A C -1.123 176.468 177.584 0.012 0.000 1.182 55 A CA 4.373 56.415 52.037 0.008 0.000 0.633 55 A CB -2.420 16.588 19.000 0.014 0.000 0.819 55 A HN 0.016 8.170 8.150 0.007 0.000 0.448 56 P HA -0.227 4.208 4.420 0.024 0.000 0.221 56 P C -0.346 176.968 177.300 0.023 0.000 1.145 56 P CA 1.784 64.897 63.100 0.021 0.000 0.795 56 P CB -0.386 31.326 31.700 0.020 0.000 0.775 57 A N -5.266 117.562 122.820 0.014 0.000 2.275 57 A HA 0.153 4.484 4.320 0.019 0.000 0.212 57 A C -1.497 176.094 177.584 0.012 0.000 1.201 57 A CA -0.581 51.464 52.037 0.013 0.000 0.843 57 A CB 0.771 19.774 19.000 0.005 0.000 0.873 57 A HN -0.647 7.472 8.150 0.010 0.036 0.492 58 V N 0.114 120.034 119.914 0.010 0.000 2.383 58 V HA 0.457 4.737 4.120 0.001 -0.159 0.275 58 V C -0.506 175.593 176.094 0.008 0.000 1.036 58 V CA -0.315 61.987 62.300 0.003 0.000 0.889 58 V CB 1.025 32.845 31.823 -0.004 0.000 0.985 58 V HN -0.561 7.473 8.190 0.011 0.162 0.459 59 V N 0.654 120.570 119.914 0.003 0.000 2.881 59 V HA 0.600 4.827 4.120 0.029 -0.089 0.316 59 V C -1.240 174.835 176.094 -0.031 0.000 1.070 59 V CA -3.505 58.802 62.300 0.012 0.000 0.976 59 V CB 2.780 34.625 31.823 0.037 0.000 1.038 59 V HN 0.432 8.512 8.190 -0.004 0.107 0.446 60 N N 2.251 120.932 118.700 -0.031 0.000 2.422 60 N HA 0.207 4.942 4.740 -0.207 -0.119 0.264 60 N C -0.734 174.634 175.510 -0.236 0.000 1.063 60 N CA -1.199 51.755 53.050 -0.161 0.000 0.959 60 N CB 0.480 38.906 38.487 -0.102 0.000 1.087 60 N HN -0.085 8.307 8.380 0.020 0.000 0.483 61 V N 4.021 123.720 119.914 -0.358 0.000 2.398 61 V HA 0.412 4.634 4.120 -0.105 -0.165 0.286 61 V C -1.272 174.569 176.094 -0.422 0.000 1.026 61 V CA -0.749 61.401 62.300 -0.250 0.000 0.868 61 V CB 1.672 33.403 31.823 -0.152 0.000 0.982 61 V HN -0.063 7.792 8.190 -0.373 0.112 0.443 62 Y N 6.032 126.327 120.300 -0.008 0.000 2.328 62 Y HA 0.237 4.782 4.550 -0.010 0.000 0.336 62 Y C -1.441 174.457 175.900 -0.003 0.000 0.960 62 Y CA -1.375 56.722 58.100 -0.005 0.000 1.134 62 Y CB 2.501 40.962 38.460 0.002 0.000 1.166 62 Y HN 0.862 9.227 8.280 0.141 0.000 0.464 63 N N 4.538 123.309 118.700 0.119 0.000 2.426 63 N HA 0.281 5.061 4.740 0.068 0.000 0.257 63 N C -1.487 174.075 175.510 0.087 0.000 1.002 63 N CA -0.883 52.214 53.050 0.077 0.000 0.942 63 N CB 1.465 39.976 38.487 0.039 0.000 1.112 63 N HN 0.604 9.042 8.380 0.098 0.000 0.499 64 R N 5.132 125.674 120.500 0.069 0.000 2.589 64 R HA 0.834 5.390 4.340 0.052 -0.185 0.293 64 R C -0.871 175.447 176.300 0.030 0.000 0.963 64 R CA -1.744 54.385 56.100 0.048 0.000 0.905 64 R CB 3.863 34.185 30.300 0.036 0.000 1.144 64 R HN 0.580 8.889 8.270 0.064 0.000 0.459 65 G N 0.047 108.859 108.800 0.020 0.000 2.519 65 G HA2 0.747 4.858 3.960 0.012 0.000 0.307 65 G HA3 0.747 4.714 3.960 0.013 0.000 0.307 65 G C -2.297 172.601 174.900 -0.004 0.000 1.266 65 G CA -1.541 43.566 45.100 0.011 0.000 0.970 65 G HN 0.204 8.506 8.290 0.020 0.000 0.481 66 L N 0.237 121.456 121.223 -0.006 0.000 2.455 66 L HA -0.193 4.130 4.340 -0.028 0.000 0.272 66 L C -0.811 176.043 176.870 -0.026 0.000 1.174 66 L CA 0.488 55.317 54.840 -0.019 0.000 0.869 66 L CB 0.127 42.180 42.059 -0.010 0.000 1.130 66 L HN 0.137 8.696 8.230 -0.001 -0.330 0.474 67 N N 2.493 121.163 118.700 -0.050 0.000 2.469 67 N HA 0.234 4.954 4.740 -0.034 0.000 0.253 67 N C 0.302 175.780 175.510 -0.053 0.000 0.970 67 N CA -1.349 51.670 53.050 -0.053 0.000 0.940 67 N CB 1.712 40.153 38.487 -0.075 0.000 1.128 67 N HN -0.382 7.956 8.380 -0.070 0.000 0.503 68 T N 4.082 118.620 114.554 -0.027 0.000 2.788 68 T HA -0.240 4.242 4.350 -0.012 -0.140 0.268 68 T C 0.884 175.577 174.700 -0.012 0.000 1.044 68 T CA 2.341 64.433 62.100 -0.014 0.000 1.139 68 T CB -0.118 68.747 68.868 -0.004 0.000 0.867 68 T HN 0.374 8.602 8.240 -0.020 0.000 0.454 69 N N 0.061 118.752 118.700 -0.015 0.000 2.289 69 N HA -0.124 4.618 4.740 0.003 0.000 0.184 69 N C 0.076 175.585 175.510 -0.001 0.000 1.016 69 N CA 1.998 55.045 53.050 -0.005 0.000 0.872 69 N CB 0.015 38.498 38.487 -0.006 0.000 0.973 69 N HN -0.403 8.151 8.380 -0.019 -0.186 0.433 70 S N -1.462 114.216 115.700 -0.036 0.000 2.666 70 S HA 0.214 4.712 4.470 0.046 0.000 0.230 70 S C 0.186 174.790 174.600 0.007 0.000 1.146 70 S CA -0.351 57.826 58.200 -0.038 0.000 1.162 70 S CB 1.143 64.213 63.200 -0.217 0.000 1.085 70 S HN -0.666 7.590 8.310 -0.063 0.016 0.514 71 H N -1.627 117.445 119.070 0.003 0.000 2.537 71 H HA 0.244 4.801 4.556 0.003 0.000 0.295 71 H C 0.021 175.351 175.328 0.003 0.000 1.054 71 H CA -1.330 54.719 56.048 0.002 0.000 1.156 71 H CB -0.347 29.416 29.762 0.001 0.000 1.468 71 H HN -0.215 7.824 8.280 -0.776 -0.225 0.551 72 N N -5.237 113.409 118.700 -0.089 0.000 2.829 72 N HA -0.461 4.307 4.740 -0.066 -0.067 0.250 72 N C -0.940 174.519 175.510 -0.085 0.000 1.090 72 N CA 1.332 54.344 53.050 -0.062 0.000 0.781 72 N CB -2.509 35.976 38.487 -0.003 0.000 1.124 72 N HN 0.062 8.286 8.380 -0.129 0.078 0.559 73 Q N -2.143 117.529 119.800 -0.213 0.000 2.421 73 Q HA -0.116 4.196 4.340 -0.045 0.000 0.255 73 Q C -0.867 175.070 176.000 -0.105 0.000 1.013 73 Q CA -0.165 55.550 55.803 -0.146 0.000 0.895 73 Q CB 0.751 29.346 28.738 -0.240 0.000 1.271 73 Q HN -0.011 7.974 8.270 -0.407 0.041 0.460 74 L N 3.850 125.043 121.223 -0.049 0.000 2.453 74 L HA -0.125 4.350 4.340 -0.030 -0.153 0.272 74 L C 0.146 176.994 176.870 -0.038 0.000 1.182 74 L CA 0.663 55.484 54.840 -0.033 0.000 0.858 74 L CB 0.147 42.197 42.059 -0.014 0.000 1.120 74 L HN 0.255 8.467 8.230 -0.030 0.000 0.474 75 E N 1.626 121.811 120.200 -0.025 0.000 2.317 75 E HA 0.215 4.554 4.350 -0.018 0.000 0.270 75 E C -1.056 175.553 176.600 0.015 0.000 0.885 75 E CA -2.320 54.072 56.400 -0.014 0.000 0.760 75 E CB 3.794 33.480 29.700 -0.022 0.000 1.227 75 E HN -0.244 8.105 8.360 -0.018 0.000 0.434 76 I N 2.908 123.497 120.570 0.032 0.000 2.662 76 I HA -0.349 4.025 4.170 0.091 -0.149 0.285 76 I C 0.640 176.803 176.117 0.076 0.000 1.161 76 I CA 2.021 63.368 61.300 0.079 0.000 1.415 76 I CB -0.254 37.819 38.000 0.121 0.000 1.385 76 I HN 0.583 8.805 8.210 0.021 0.000 0.552 77 R N 8.020 128.566 120.500 0.077 0.000 2.121 77 R HA 0.154 4.531 4.340 0.062 0.000 0.206 77 R C 0.152 176.507 176.300 0.091 0.000 1.094 77 R CA 1.017 57.158 56.100 0.069 0.000 1.055 77 R CB 1.612 31.944 30.300 0.053 0.000 0.964 77 R HN 0.839 9.157 8.270 0.080 0.000 0.473 78 T N 0.780 115.388 114.554 0.090 0.000 2.933 78 T HA 0.258 4.682 4.350 0.124 0.000 0.305 78 T C -2.443 172.279 174.700 0.037 0.000 1.092 78 T CA -1.273 60.878 62.100 0.084 0.000 1.008 78 T CB 2.111 71.016 68.868 0.063 0.000 1.102 78 T HN -0.601 7.690 8.240 0.085 0.000 0.469 79 L N 0.583 121.788 121.223 -0.031 0.000 2.354 79 L HA 1.070 5.433 4.340 -0.193 -0.139 0.264 79 L C -1.116 175.579 176.870 -0.293 0.000 1.008 79 L CA -1.854 52.879 54.840 -0.178 0.000 0.819 79 L CB 3.955 45.916 42.059 -0.163 0.000 1.339 79 L HN 0.134 8.353 8.230 -0.019 0.000 0.420 80 G N -0.343 108.259 108.800 -0.331 0.000 2.772 80 G HA2 0.399 4.310 3.960 -0.310 0.000 0.284 80 G HA3 0.399 4.202 3.960 -0.262 0.000 0.284 80 G C -2.037 172.703 174.900 -0.267 0.000 1.217 80 G CA 0.055 44.980 45.100 -0.292 0.000 0.831 80 G HN 0.434 8.495 8.290 -0.381 0.000 0.523 81 S N -0.918 114.667 115.700 -0.192 0.000 2.704 81 S HA 1.006 5.537 4.470 -0.155 -0.153 0.296 81 S C -1.099 173.441 174.600 -0.101 0.000 1.138 81 S CA -1.562 56.554 58.200 -0.140 0.000 0.875 81 S CB 4.168 67.307 63.200 -0.102 0.000 1.151 81 S HN 0.103 8.306 8.310 -0.177 0.000 0.500 82 G N -2.131 106.631 108.800 -0.064 0.000 2.684 82 G HA2 0.805 5.007 3.960 -0.038 0.000 0.290 82 G HA3 0.805 4.745 3.960 -0.034 0.000 0.290 82 G C -3.111 171.780 174.900 -0.016 0.000 1.425 82 G CA -0.070 45.008 45.100 -0.037 0.000 0.822 82 G HN -0.062 8.194 8.290 -0.057 0.000 0.482 83 V N 0.101 120.014 119.914 -0.003 0.000 2.525 83 V HA 0.429 4.694 4.120 0.003 -0.143 0.299 83 V C -0.900 175.202 176.094 0.014 0.000 1.034 83 V CA -1.415 60.888 62.300 0.005 0.000 0.863 83 V CB 3.435 35.263 31.823 0.008 0.000 0.999 83 V HN 0.272 8.462 8.190 0.000 0.000 0.423 84 I N 7.910 128.487 120.570 0.012 0.000 2.505 84 I HA -0.129 4.173 4.170 0.018 -0.121 0.287 84 I C -0.091 176.040 176.117 0.022 0.000 1.104 84 I CA 1.419 62.728 61.300 0.015 0.000 1.387 84 I CB -0.199 37.804 38.000 0.005 0.000 1.404 84 I HN 0.650 8.866 8.210 0.010 0.000 0.528 85 M N 5.691 125.316 119.600 0.042 0.000 2.466 85 M HA 0.044 4.542 4.480 0.029 0.000 0.265 85 M C 0.030 176.356 176.300 0.043 0.000 1.122 85 M CA -0.642 54.683 55.300 0.042 0.000 1.157 85 M CB 0.319 32.951 32.600 0.052 0.000 1.352 85 M HN 0.379 8.703 8.290 0.057 0.000 0.464 86 D N -5.718 114.719 120.400 0.062 0.000 2.615 86 D HA 0.139 4.800 4.640 0.036 0.000 0.267 86 D C 0.002 176.329 176.300 0.045 0.000 1.236 86 D CA -1.080 52.953 54.000 0.056 0.000 0.839 86 D CB 0.749 41.593 40.800 0.074 0.000 1.380 86 D HN -0.866 7.550 8.370 0.077 0.000 0.433 87 Q N -2.125 117.693 119.800 0.030 0.000 2.226 87 Q HA -0.246 4.091 4.340 -0.006 0.000 0.204 87 Q C 1.316 177.310 176.000 -0.011 0.000 0.975 87 Q CA 2.796 58.602 55.803 0.006 0.000 0.866 87 Q CB -0.269 28.473 28.738 0.007 0.000 0.915 87 Q HN 0.348 8.637 8.270 0.032 0.000 0.440 88 R N -3.874 116.643 120.500 0.028 0.000 2.189 88 R HA -0.290 4.030 4.340 -0.034 0.000 0.223 88 R C 0.562 176.765 176.300 -0.162 0.000 1.092 88 R CA 1.689 57.781 56.100 -0.013 0.000 0.989 88 R CB 0.598 30.980 30.300 0.135 0.000 0.876 88 R HN -0.576 7.882 8.270 0.076 -0.143 0.457 89 G N -4.039 104.680 108.800 -0.135 0.000 2.135 89 G HA2 -0.349 3.504 3.960 -0.179 0.000 0.183 89 G HA3 -0.349 3.581 3.960 -0.304 -0.152 0.183 89 G C -1.015 173.732 174.900 -0.255 0.000 1.004 89 G CA -0.524 44.439 45.100 -0.228 0.000 0.677 89 G HN -0.348 7.881 8.290 -0.045 0.034 0.512 90 Y N 0.466 120.732 120.300 -0.057 0.000 2.319 90 Y HA 0.304 5.009 4.550 -0.043 -0.181 0.328 90 Y C -0.965 174.914 175.900 -0.035 0.000 1.133 90 Y CA 1.005 59.080 58.100 -0.041 0.000 1.265 90 Y CB 1.127 39.569 38.460 -0.030 0.000 1.218 90 Y HN -1.065 7.442 8.280 0.108 -0.163 0.508 91 I N 1.558 122.200 120.570 0.121 0.000 2.582 91 I HA 0.535 4.918 4.170 0.051 -0.182 0.292 91 I C -1.079 175.071 176.117 0.055 0.000 1.066 91 I CA -1.565 59.769 61.300 0.057 0.000 1.053 91 I CB 4.270 42.279 38.000 0.015 0.000 1.241 91 I HN 0.420 8.713 8.210 0.139 0.000 0.421 92 I N 6.665 127.257 120.570 0.036 0.000 2.385 92 I HA 0.659 5.006 4.170 0.025 -0.162 0.294 92 I C -0.881 175.237 176.117 0.002 0.000 0.988 92 I CA -0.883 60.430 61.300 0.023 0.000 1.265 92 I CB 2.219 40.234 38.000 0.025 0.000 1.388 92 I HN 0.285 8.515 8.210 0.033 0.000 0.480 93 T N 5.091 119.638 114.554 -0.012 0.000 2.754 93 T HA 0.426 4.750 4.350 -0.042 0.000 0.296 93 T C -1.942 172.726 174.700 -0.054 0.000 1.205 93 T CA -2.873 59.201 62.100 -0.043 0.000 1.009 93 T CB 1.641 70.471 68.868 -0.064 0.000 1.368 93 T HN 0.467 8.703 8.240 -0.007 0.000 0.509 94 N N 0.890 119.522 118.700 -0.113 0.000 2.529 94 N HA 0.226 5.116 4.740 -0.046 -0.178 0.278 94 N C 0.869 176.279 175.510 -0.166 0.000 1.146 94 N CA 0.226 53.192 53.050 -0.139 0.000 0.980 94 N CB 1.052 39.373 38.487 -0.278 0.000 1.124 94 N HN 0.432 8.722 8.380 -0.149 0.000 0.458 95 K N 5.889 126.256 120.400 -0.055 0.000 2.063 95 K HA -0.392 3.913 4.320 -0.025 0.000 0.208 95 K C 0.928 177.516 176.600 -0.020 0.000 1.048 95 K CA 3.159 59.436 56.287 -0.017 0.000 0.928 95 K CB 0.019 32.541 32.500 0.037 0.000 0.713 95 K HN 0.167 8.337 8.250 -0.002 0.079 0.442 96 H N -4.793 114.285 119.070 0.013 0.000 2.546 96 H HA -0.102 4.463 4.556 0.013 0.000 0.277 96 H C 1.339 176.671 175.328 0.006 0.000 1.004 96 H CA 2.296 58.351 56.048 0.012 0.000 1.231 96 H CB -0.209 29.563 29.762 0.016 0.000 1.382 96 H HN -0.521 7.987 8.280 0.043 -0.202 0.580 97 V N -1.434 118.225 119.914 -0.425 0.000 2.488 97 V HA -0.231 3.768 4.120 -0.202 0.000 0.246 97 V C 0.686 176.719 176.094 -0.103 0.000 1.046 97 V CA 2.117 64.257 62.300 -0.268 0.000 1.053 97 V CB 0.518 32.148 31.823 -0.321 0.000 0.679 97 V HN -0.614 7.096 8.190 -0.551 0.150 0.458 98 I N -10.624 109.899 120.570 -0.078 0.000 3.956 98 I HA 0.094 4.251 4.170 -0.022 0.000 0.333 98 I C -0.594 175.523 176.117 -0.001 0.000 1.302 98 I CA -1.693 59.590 61.300 -0.029 0.000 1.122 98 I CB 0.034 38.018 38.000 -0.026 0.000 1.013 98 I HN -0.862 7.292 8.210 -0.094 0.000 0.405 99 N N 3.410 122.115 118.700 0.010 0.000 2.357 99 N HA -0.228 4.526 4.740 0.023 0.000 0.257 99 N C -0.525 175.001 175.510 0.027 0.000 1.250 99 N CA 1.830 54.896 53.050 0.026 0.000 0.862 99 N CB 0.065 38.580 38.487 0.045 0.000 1.066 99 N HN -0.594 7.790 8.380 0.007 0.000 0.468 100 D N -3.564 116.851 120.400 0.023 0.000 3.012 100 D HA -0.344 4.308 4.640 0.020 0.000 0.222 100 D C -1.542 174.772 176.300 0.022 0.000 1.167 100 D CA 1.241 55.254 54.000 0.022 0.000 0.854 100 D CB -1.242 39.572 40.800 0.024 0.000 1.107 100 D HN 0.362 8.745 8.370 0.022 0.000 0.421 101 A N -3.256 119.577 122.820 0.022 0.000 2.401 101 A HA -0.133 4.329 4.320 0.026 -0.127 0.259 101 A C -0.253 177.344 177.584 0.021 0.000 1.103 101 A CA -0.233 51.818 52.037 0.024 0.000 0.789 101 A CB 0.813 19.827 19.000 0.025 0.000 1.035 101 A HN -0.727 7.398 8.150 0.020 0.037 0.491 102 D N 2.529 122.942 120.400 0.021 0.000 2.240 102 D HA -0.022 4.628 4.640 0.016 0.000 0.206 102 D C 0.304 176.616 176.300 0.020 0.000 0.963 102 D CA 2.141 56.151 54.000 0.017 0.000 0.863 102 D CB 1.291 42.098 40.800 0.013 0.000 0.973 102 D HN 0.069 8.452 8.370 0.022 0.000 0.501 103 Q N -1.342 118.473 119.800 0.025 0.000 2.289 103 Q HA 0.257 4.614 4.340 0.028 0.000 0.270 103 Q C -2.479 173.547 176.000 0.044 0.000 1.038 103 Q CA -0.391 55.430 55.803 0.031 0.000 0.812 103 Q CB 3.689 32.443 28.738 0.026 0.000 1.300 103 Q HN -0.466 7.820 8.270 0.028 0.000 0.427 104 I N 6.552 127.150 120.570 0.047 0.000 2.339 104 I HA 0.625 5.021 4.170 0.070 -0.184 0.290 104 I C -1.316 174.851 176.117 0.084 0.000 0.994 104 I CA -1.117 60.219 61.300 0.061 0.000 1.191 104 I CB 1.558 39.583 38.000 0.042 0.000 1.343 104 I HN 0.591 8.826 8.210 0.042 0.000 0.458 105 I N 7.314 127.962 120.570 0.129 0.000 2.412 105 I HA 0.571 4.958 4.170 0.126 -0.141 0.296 105 I C -1.123 175.117 176.117 0.205 0.000 0.987 105 I CA -2.979 58.416 61.300 0.158 0.000 1.180 105 I CB 1.478 39.568 38.000 0.150 0.000 1.340 105 I HN 0.594 8.898 8.210 0.156 0.000 0.455 106 V N 6.448 126.476 119.914 0.190 0.000 2.444 106 V HA 0.450 4.829 4.120 0.159 -0.164 0.294 106 V C -2.179 174.040 176.094 0.208 0.000 1.022 106 V CA -1.746 60.666 62.300 0.187 0.000 0.850 106 V CB 3.105 35.027 31.823 0.164 0.000 0.992 106 V HN 0.454 8.756 8.190 0.187 0.000 0.426 107 A N 7.521 130.459 122.820 0.197 0.000 2.303 107 A HA 0.775 5.310 4.320 0.109 -0.150 0.320 107 A C -1.751 175.907 177.584 0.123 0.000 1.192 107 A CA -2.228 49.902 52.037 0.154 0.000 0.821 107 A CB 2.709 21.831 19.000 0.203 0.000 1.188 107 A HN 0.650 8.916 8.150 0.193 0.000 0.492 108 L N 2.161 123.451 121.223 0.111 0.000 2.439 108 L HA 0.154 4.550 4.340 0.093 0.000 0.259 108 L C 1.883 178.791 176.870 0.064 0.000 1.129 108 L CA -0.593 54.306 54.840 0.098 0.000 0.803 108 L CB 1.314 43.453 42.059 0.134 0.000 1.161 108 L HN 0.217 8.506 8.230 0.099 0.000 0.462 109 Q N 1.168 121.000 119.800 0.053 0.000 2.369 109 Q HA -0.239 4.125 4.340 0.040 0.000 0.206 109 Q C 0.449 176.469 176.000 0.033 0.000 0.963 109 Q CA 2.124 57.951 55.803 0.040 0.000 0.894 109 Q CB -0.504 28.254 28.738 0.033 0.000 0.965 109 Q HN 0.985 9.287 8.270 0.053 0.000 0.475 110 D N -5.528 114.894 120.400 0.037 0.000 2.349 110 D HA -0.055 4.599 4.640 0.023 0.000 0.224 110 D C 0.632 176.940 176.300 0.013 0.000 1.029 110 D CA -0.333 53.683 54.000 0.028 0.000 0.879 110 D CB -0.431 40.391 40.800 0.036 0.000 0.906 110 D HN -0.517 7.850 8.370 0.047 0.031 0.528 111 G N -0.319 108.486 108.800 0.007 0.000 2.231 111 G HA2 -0.388 3.564 3.960 -0.013 0.000 0.206 111 G HA3 -0.388 3.560 3.960 -0.021 0.000 0.206 111 G C -0.510 174.351 174.900 -0.065 0.000 0.996 111 G CA -0.337 44.752 45.100 -0.019 0.000 0.645 111 G HN -0.554 7.703 8.290 0.018 0.044 0.498 112 R N 1.075 121.528 120.500 -0.078 0.000 2.438 112 R HA 0.068 4.240 4.340 -0.279 0.000 0.287 112 R C -1.311 174.782 176.300 -0.344 0.000 1.077 112 R CA 0.272 56.226 56.100 -0.244 0.000 1.034 112 R CB 1.180 31.364 30.300 -0.193 0.000 0.993 112 R HN -0.400 8.131 8.270 -0.026 -0.276 0.459 113 V N 2.615 122.198 119.914 -0.551 0.000 2.588 113 V HA 0.764 4.926 4.120 -0.218 -0.172 0.304 113 V C -0.393 175.321 176.094 -0.632 0.000 1.042 113 V CA -1.508 60.556 62.300 -0.394 0.000 0.877 113 V CB 2.393 34.100 31.823 -0.193 0.000 0.996 113 V HN 0.091 7.924 8.190 -0.595 0.000 0.425 114 F N 4.849 124.808 119.950 0.014 0.000 2.588 114 F HA 0.398 4.924 4.527 -0.001 0.000 0.314 114 F C -1.404 174.402 175.800 0.009 0.000 1.069 114 F CA -1.688 56.314 58.000 0.004 0.000 0.931 114 F CB 4.163 43.161 39.000 -0.004 0.000 1.260 114 F HN 0.305 8.661 8.300 0.093 0.000 0.465 115 E N 1.946 122.267 120.200 0.202 0.000 2.259 115 E HA 0.383 4.931 4.350 0.105 -0.135 0.281 115 E C -1.409 175.251 176.600 0.101 0.000 1.027 115 E CA -0.497 55.974 56.400 0.118 0.000 0.838 115 E CB 1.609 31.354 29.700 0.074 0.000 1.066 115 E HN 0.290 8.773 8.360 0.206 0.000 0.401 116 A N 6.151 129.014 122.820 0.071 0.000 2.325 116 A HA 0.546 5.004 4.320 0.007 -0.133 0.333 116 A C -1.608 175.984 177.584 0.013 0.000 1.155 116 A CA -1.610 50.445 52.037 0.029 0.000 0.814 116 A CB 2.508 21.526 19.000 0.030 0.000 1.206 116 A HN 0.433 8.627 8.150 0.073 0.000 0.482 117 L N 0.649 121.866 121.223 -0.011 0.000 2.322 117 L HA 0.366 4.709 4.340 0.005 0.000 0.279 117 L C -0.659 176.214 176.870 0.004 0.000 1.036 117 L CA -1.566 53.272 54.840 -0.004 0.000 0.807 117 L CB 2.415 44.464 42.059 -0.016 0.000 1.226 117 L HN -0.031 8.179 8.230 -0.033 0.000 0.433 118 L N 4.454 125.686 121.223 0.014 0.000 2.385 118 L HA -0.014 4.340 4.340 0.023 0.000 0.281 118 L C 0.068 176.957 176.870 0.032 0.000 1.106 118 L CA 0.665 55.518 54.840 0.022 0.000 0.856 118 L CB -0.731 41.339 42.059 0.018 0.000 1.186 118 L HN 0.279 8.518 8.230 0.014 0.000 0.453 119 V N 5.903 125.849 119.914 0.052 0.000 2.488 119 V HA -0.037 4.126 4.120 0.071 0.000 0.246 119 V C -0.822 175.302 176.094 0.049 0.000 1.046 119 V CA 1.576 63.921 62.300 0.075 0.000 1.053 119 V CB 0.719 32.632 31.823 0.150 0.000 0.679 119 V HN 0.393 8.618 8.190 0.058 0.000 0.458 120 G N -5.570 103.253 108.800 0.037 0.000 2.340 120 G HA2 0.009 3.981 3.960 0.019 0.000 0.298 120 G HA3 0.009 4.104 3.960 0.018 -0.124 0.298 120 G C -3.352 171.558 174.900 0.016 0.000 1.498 120 G CA 0.185 45.298 45.100 0.022 0.000 0.847 120 G HN -0.768 7.546 8.290 0.040 0.000 0.594 121 S N -0.917 114.789 115.700 0.011 0.000 2.588 121 S HA 0.771 5.376 4.470 0.008 -0.131 0.275 121 S C -1.683 172.921 174.600 0.007 0.000 1.130 121 S CA -1.685 56.520 58.200 0.009 0.000 0.855 121 S CB 3.692 66.900 63.200 0.012 0.000 1.116 121 S HN 0.130 8.446 8.310 0.010 0.000 0.472 122 D N 0.271 120.676 120.400 0.007 0.000 2.542 122 D HA 0.400 5.042 4.640 0.003 0.000 0.252 122 D C 0.373 176.681 176.300 0.014 0.000 1.222 122 D CA -1.250 52.752 54.000 0.004 0.000 0.895 122 D CB 2.584 43.380 40.800 -0.007 0.000 1.207 122 D HN 0.264 8.640 8.370 0.009 0.000 0.558 123 S N 5.267 120.976 115.700 0.016 0.000 2.406 123 S HA -0.158 4.335 4.470 0.038 0.000 0.228 123 S C 1.046 175.660 174.600 0.023 0.000 1.020 123 S CA 2.532 60.748 58.200 0.026 0.000 0.965 123 S CB -0.037 63.176 63.200 0.022 0.000 0.798 123 S HN 0.353 8.670 8.310 0.012 0.000 0.488 124 L N 1.109 122.337 121.223 0.008 0.000 2.079 124 L HA -0.198 4.144 4.340 0.004 0.000 0.210 124 L C 0.242 177.109 176.870 -0.004 0.000 1.081 124 L CA 2.484 57.323 54.840 -0.001 0.000 0.752 124 L CB 0.484 42.534 42.059 -0.014 0.000 0.896 124 L HN -0.364 8.002 8.230 0.003 -0.134 0.433 125 T N -9.882 104.667 114.554 -0.008 0.000 3.044 125 T HA -0.022 4.300 4.350 -0.047 0.000 0.260 125 T C -0.051 174.667 174.700 0.031 0.000 1.019 125 T CA -0.924 61.162 62.100 -0.023 0.000 0.921 125 T CB 1.248 70.082 68.868 -0.055 0.000 1.053 125 T HN -0.829 7.396 8.240 -0.004 0.012 0.533 126 D N 0.914 121.348 120.400 0.057 0.000 2.751 126 D HA -0.349 4.375 4.640 0.094 -0.028 0.233 126 D C -1.443 174.900 176.300 0.072 0.000 1.149 126 D CA 1.391 55.451 54.000 0.099 0.000 0.682 126 D CB -0.999 39.908 40.800 0.179 0.000 1.068 126 D HN -0.306 7.967 8.370 0.046 0.125 0.429 127 L N -2.669 118.574 121.223 0.032 0.000 2.331 127 L HA 0.494 4.970 4.340 0.016 -0.126 0.275 127 L C -2.069 174.805 176.870 0.006 0.000 1.022 127 L CA -0.964 53.884 54.840 0.014 0.000 0.812 127 L CB 2.952 45.012 42.059 0.002 0.000 1.257 127 L HN -0.697 7.530 8.230 0.023 0.017 0.435 128 A N 0.912 123.731 122.820 -0.002 0.000 2.475 128 A HA 0.852 5.310 4.320 0.006 -0.134 0.301 128 A C -2.295 175.296 177.584 0.011 0.000 1.059 128 A CA -1.692 50.346 52.037 0.001 0.000 0.710 128 A CB 3.929 22.923 19.000 -0.010 0.000 1.288 128 A HN 0.835 8.981 8.150 -0.006 0.000 0.408 129 V N 1.442 121.372 119.914 0.026 0.000 2.459 129 V HA 0.903 5.260 4.120 0.054 -0.204 0.295 129 V C -0.972 175.163 176.094 0.069 0.000 1.029 129 V CA -1.880 60.454 62.300 0.057 0.000 0.874 129 V CB 2.219 34.085 31.823 0.072 0.000 0.985 129 V HN 0.396 8.601 8.190 0.026 0.000 0.438 130 L N 5.328 126.592 121.223 0.068 0.000 2.304 130 L HA 0.914 5.444 4.340 0.031 -0.171 0.268 130 L C -1.257 175.618 176.870 0.008 0.000 1.010 130 L CA -2.101 52.760 54.840 0.034 0.000 0.813 130 L CB 3.246 45.310 42.059 0.009 0.000 1.315 130 L HN 0.813 8.978 8.230 0.070 0.108 0.445 131 K N 0.813 121.166 120.400 -0.078 0.000 2.565 131 K HA 0.609 4.904 4.320 -0.350 -0.185 0.249 131 K C -1.391 175.081 176.600 -0.213 0.000 0.958 131 K CA -1.184 54.953 56.287 -0.250 0.000 0.806 131 K CB 2.455 34.766 32.500 -0.316 0.000 1.194 131 K HN 0.027 8.243 8.250 -0.056 0.000 0.434 132 I N 1.623 122.029 120.570 -0.274 0.000 2.648 132 I HA 0.506 4.559 4.170 -0.195 0.000 0.304 132 I C -1.994 173.916 176.117 -0.345 0.000 1.009 132 I CA -1.944 59.182 61.300 -0.290 0.000 1.114 132 I CB 2.548 40.298 38.000 -0.415 0.000 1.293 132 I HN 0.222 8.244 8.210 -0.314 0.000 0.449 133 N N 4.210 122.741 118.700 -0.282 0.000 2.558 133 N HA 0.196 4.800 4.740 -0.226 0.000 0.242 133 N C -1.553 173.818 175.510 -0.231 0.000 0.979 133 N CA -0.877 52.045 53.050 -0.214 0.000 0.931 133 N CB 0.187 38.614 38.487 -0.100 0.000 1.122 133 N HN 0.270 8.522 8.380 -0.215 0.000 0.508 134 A N 4.469 127.117 122.820 -0.286 0.000 2.365 134 A HA 0.430 4.726 4.320 -0.040 0.000 0.318 134 A C -0.017 177.536 177.584 -0.052 0.000 1.091 134 A CA -0.843 51.073 52.037 -0.202 0.000 0.763 134 A CB 2.107 20.832 19.000 -0.458 0.000 1.248 134 A HN 0.022 8.008 8.150 -0.273 0.000 0.442 135 T N 0.868 115.447 114.554 0.043 0.000 2.852 135 T HA -0.103 4.253 4.350 0.010 0.000 0.256 135 T C 1.020 175.736 174.700 0.027 0.000 1.038 135 T CA 0.219 62.337 62.100 0.031 0.000 1.141 135 T CB 0.195 69.092 68.868 0.049 0.000 0.869 135 T HN 0.044 8.349 8.240 0.109 0.000 0.439 136 G N 1.495 110.327 108.800 0.054 0.000 2.653 136 G HA2 -0.022 3.958 3.960 0.033 0.000 0.265 136 G HA3 -0.022 3.975 3.960 0.061 0.000 0.265 136 G C -0.572 174.341 174.900 0.022 0.000 1.237 136 G CA -0.800 44.326 45.100 0.044 0.000 0.946 136 G HN -0.532 7.810 8.290 0.088 0.000 0.522 137 G N -1.792 107.020 108.800 0.020 0.000 2.491 137 G HA2 0.043 4.002 3.960 -0.002 0.000 0.242 137 G HA3 0.043 4.010 3.960 0.011 0.000 0.242 137 G C -1.350 173.557 174.900 0.012 0.000 1.266 137 G CA -0.350 44.755 45.100 0.009 0.000 0.844 137 G HN -0.049 8.255 8.290 0.024 0.000 0.571 138 L N 2.914 124.134 121.223 -0.006 0.000 2.325 138 L HA 0.420 4.768 4.340 0.014 0.000 0.278 138 L C -1.769 175.104 176.870 0.005 0.000 1.023 138 L CA -2.767 52.070 54.840 -0.005 0.000 0.811 138 L CB 1.338 43.368 42.059 -0.048 0.000 1.249 138 L HN -0.423 8.047 8.230 -0.014 -0.249 0.431 139 P HA 0.139 4.566 4.420 0.012 0.000 0.276 139 P C -1.583 175.722 177.300 0.008 0.000 1.230 139 P CA -0.584 62.525 63.100 0.015 0.000 0.776 139 P CB 0.289 32.003 31.700 0.023 0.000 0.888 140 T N -2.144 112.413 114.554 0.005 0.000 2.908 140 T HA 0.141 4.616 4.350 0.005 -0.122 0.290 140 T C -0.216 174.482 174.700 -0.004 0.000 1.034 140 T CA -2.505 59.596 62.100 0.003 0.000 1.010 140 T CB 3.149 72.020 68.868 0.004 0.000 1.068 140 T HN -0.270 7.972 8.240 0.004 0.000 0.481 141 I N 2.262 122.828 120.570 -0.007 0.000 2.441 141 I HA 0.183 4.341 4.170 -0.021 0.000 0.287 141 I C -2.161 173.934 176.117 -0.037 0.000 1.049 141 I CA -2.920 58.367 61.300 -0.021 0.000 1.381 141 I CB 1.489 39.476 38.000 -0.022 0.000 1.409 141 I HN -0.237 7.971 8.210 -0.002 0.000 0.523 142 P HA 0.056 4.446 4.420 -0.050 0.000 0.267 142 P C -1.840 175.391 177.300 -0.115 0.000 1.205 142 P CA -0.151 62.909 63.100 -0.066 0.000 0.765 142 P CB 0.433 32.096 31.700 -0.062 0.000 0.828 143 I N 2.319 122.823 120.570 -0.110 0.000 2.447 143 I HA 0.164 4.158 4.170 -0.294 0.000 0.287 143 I C -1.286 174.750 176.117 -0.135 0.000 1.023 143 I CA -0.607 60.590 61.300 -0.172 0.000 1.083 143 I CB 2.840 40.792 38.000 -0.079 0.000 1.245 143 I HN -0.077 8.088 8.210 -0.076 0.000 0.434 144 N N 7.544 126.116 118.700 -0.214 0.000 2.609 144 N HA 0.113 4.828 4.740 -0.042 0.000 0.234 144 N C 0.197 175.718 175.510 0.018 0.000 1.001 144 N CA -1.438 51.557 53.050 -0.091 0.000 0.926 144 N CB 0.203 38.637 38.487 -0.088 0.000 1.130 144 N HN 0.252 8.417 8.380 -0.358 0.000 0.510 145 A N 5.575 128.466 122.820 0.118 0.000 2.125 145 A HA -0.121 4.489 4.320 0.483 0.000 0.219 145 A C 0.899 178.603 177.584 0.199 0.000 1.156 145 A CA 2.202 54.390 52.037 0.251 0.000 0.671 145 A CB 0.023 19.109 19.000 0.143 0.000 0.794 145 A HN 0.772 8.967 8.150 0.075 0.000 0.459 146 R N -4.835 115.740 120.500 0.125 0.000 2.362 146 R HA 0.099 4.487 4.340 0.081 0.000 0.227 146 R C -0.325 176.031 176.300 0.093 0.000 0.905 146 R CA -0.451 55.702 56.100 0.088 0.000 1.067 146 R CB 0.900 31.232 30.300 0.053 0.000 1.078 146 R HN -0.496 8.046 8.270 0.095 -0.214 0.516 147 R N 1.799 122.371 120.500 0.120 0.000 2.401 147 R HA -0.122 4.250 4.340 0.054 0.000 0.299 147 R C -0.882 175.485 176.300 0.112 0.000 1.064 147 R CA 0.143 56.294 56.100 0.084 0.000 1.000 147 R CB 0.037 30.349 30.300 0.020 0.000 0.973 147 R HN -0.650 7.683 8.270 0.135 0.018 0.438 148 V N 8.133 128.035 119.914 -0.019 0.000 2.347 148 V HA 0.193 4.279 4.120 -0.057 0.000 0.280 148 V C -1.811 174.026 176.094 -0.429 0.000 1.021 148 V CA -3.250 58.956 62.300 -0.156 0.000 0.847 148 V CB 1.438 33.163 31.823 -0.163 0.000 0.990 148 V HN 0.070 8.243 8.190 -0.029 0.000 0.444 149 P HA -0.008 4.323 4.420 -0.148 0.000 0.271 149 P C -1.571 175.537 177.300 -0.321 0.000 1.220 149 P CA -0.274 62.712 63.100 -0.190 0.000 0.768 149 P CB 0.559 32.257 31.700 -0.003 0.000 0.848 150 H N 3.531 122.626 119.070 0.042 0.000 2.569 150 H HA 0.247 4.821 4.556 0.030 0.000 0.357 150 H C 0.050 175.391 175.328 0.021 0.000 1.153 150 H CA -1.850 54.216 56.048 0.029 0.000 1.193 150 H CB 3.726 33.503 29.762 0.024 0.000 1.602 150 H HN 0.338 8.940 8.280 -0.034 -0.342 0.523 151 I N 2.340 123.003 120.570 0.154 0.000 2.668 151 I HA -0.629 3.695 4.170 0.062 -0.116 0.285 151 I C 1.220 177.377 176.117 0.066 0.000 1.168 151 I CA 2.259 63.608 61.300 0.081 0.000 1.424 151 I CB -0.738 37.298 38.000 0.061 0.000 1.377 151 I HN 0.590 8.902 8.210 0.171 0.000 0.560 152 G N 7.121 115.945 108.800 0.040 0.000 2.213 152 G HA2 -0.376 3.593 3.960 0.014 0.000 0.226 152 G HA3 -0.376 3.602 3.960 0.030 0.000 0.226 152 G C -0.415 174.502 174.900 0.027 0.000 0.992 152 G CA -0.568 44.548 45.100 0.027 0.000 0.632 152 G HN 0.490 8.798 8.290 0.029 0.000 0.511 153 D N 2.800 123.225 120.400 0.042 0.000 2.493 153 D HA -0.093 4.569 4.640 0.037 0.000 0.240 153 D C 0.053 176.342 176.300 -0.018 0.000 1.142 153 D CA 1.494 55.511 54.000 0.028 0.000 0.872 153 D CB 0.346 41.169 40.800 0.038 0.000 1.173 153 D HN -0.366 7.980 8.370 0.061 0.061 0.467 154 V N 2.869 122.757 119.914 -0.044 0.000 2.585 154 V HA -0.040 4.166 4.120 -0.125 -0.161 0.296 154 V C -0.093 175.902 176.094 -0.166 0.000 1.035 154 V CA 1.069 63.289 62.300 -0.133 0.000 1.084 154 V CB 0.033 31.734 31.823 -0.203 0.000 0.953 154 V HN 0.220 8.397 8.190 -0.022 0.000 0.483 155 V N 0.353 120.159 119.914 -0.179 0.000 3.007 155 V HA 0.962 5.153 4.120 -0.146 -0.159 0.311 155 V C -1.663 174.330 176.094 -0.169 0.000 1.120 155 V CA -3.191 59.021 62.300 -0.147 0.000 0.980 155 V CB 3.965 35.741 31.823 -0.079 0.000 1.033 155 V HN 0.116 8.200 8.190 -0.176 0.000 0.429 156 L N 0.606 121.750 121.223 -0.133 0.000 2.341 156 L HA 0.935 5.430 4.340 -0.104 -0.218 0.278 156 L C -1.009 175.828 176.870 -0.055 0.000 1.005 156 L CA -2.192 52.589 54.840 -0.098 0.000 0.818 156 L CB 2.876 44.885 42.059 -0.083 0.000 1.259 156 L HN 0.392 8.553 8.230 -0.114 0.000 0.418 157 A N 2.725 125.521 122.820 -0.039 0.000 2.290 157 A HA 0.837 5.310 4.320 -0.020 -0.164 0.310 157 A C -1.358 176.217 177.584 -0.015 0.000 1.202 157 A CA -1.866 50.157 52.037 -0.022 0.000 0.837 157 A CB 2.143 21.132 19.000 -0.018 0.000 1.139 157 A HN 0.724 8.850 8.150 -0.039 0.000 0.509 158 I N 2.337 122.899 120.570 -0.013 0.000 2.447 158 I HA 0.819 5.188 4.170 -0.007 -0.203 0.287 158 I C -0.637 175.469 176.117 -0.018 0.000 1.023 158 I CA -1.551 59.742 61.300 -0.011 0.000 1.083 158 I CB 2.275 40.270 38.000 -0.009 0.000 1.245 158 I HN 0.319 8.521 8.210 -0.013 0.000 0.434 159 G N 4.965 113.753 108.800 -0.021 0.000 2.489 159 G HA2 0.211 4.143 3.960 -0.046 0.000 0.305 159 G HA3 0.211 4.140 3.960 -0.051 0.000 0.305 159 G C -3.396 171.479 174.900 -0.042 0.000 1.311 159 G CA 0.621 45.696 45.100 -0.041 0.000 0.813 159 G HN -0.191 8.091 8.290 -0.013 0.000 0.480 160 N N 0.363 119.018 118.700 -0.075 0.000 2.904 160 N HA 0.665 5.390 4.740 -0.025 0.000 0.257 160 N C -2.064 173.395 175.510 -0.085 0.000 1.363 160 N CA -3.711 49.300 53.050 -0.065 0.000 0.856 160 N CB 1.934 40.363 38.487 -0.096 0.000 1.166 160 N HN -0.088 8.230 8.380 -0.104 0.000 0.499 161 P HA 0.163 4.636 4.420 -0.234 -0.194 0.276 161 P C -0.065 177.266 177.300 0.052 0.000 1.235 161 P CA -0.048 62.995 63.100 -0.096 0.000 0.772 161 P CB 0.168 31.866 31.700 -0.003 0.000 0.871 162 Y N -0.241 120.102 120.300 0.071 0.000 4.324 162 Y HA -0.510 4.149 4.550 0.182 0.000 0.224 162 Y C -0.997 174.955 175.900 0.086 0.000 1.113 162 Y CA 1.271 59.439 58.100 0.114 0.000 1.887 162 Y CB -2.347 36.170 38.460 0.094 0.000 1.602 162 Y HN 0.394 8.455 8.280 -0.365 0.000 0.654 163 N N -3.038 115.748 118.700 0.143 0.000 2.725 163 N HA -0.336 4.590 4.740 0.098 -0.128 0.249 163 N C 0.309 175.902 175.510 0.139 0.000 1.103 163 N CA 1.139 54.271 53.050 0.137 0.000 0.707 163 N CB -0.806 37.794 38.487 0.188 0.000 1.043 163 N HN -0.350 8.026 8.380 0.063 0.041 0.553 164 L N -2.029 119.273 121.223 0.132 0.000 2.478 164 L HA -0.083 4.318 4.340 0.102 0.000 0.223 164 L C 0.851 177.769 176.870 0.081 0.000 1.140 164 L CA 0.943 55.847 54.840 0.107 0.000 0.842 164 L CB 0.266 42.392 42.059 0.112 0.000 0.953 164 L HN -0.612 7.682 8.230 0.140 0.020 0.452 165 G N -2.723 106.123 108.800 0.077 0.000 2.570 165 G HA2 -0.296 3.704 3.960 0.068 0.000 0.686 165 G HA3 -0.296 3.698 3.960 0.058 0.000 0.686 165 G C -1.656 173.270 174.900 0.043 0.000 1.257 165 G CA -1.033 44.104 45.100 0.061 0.000 0.846 165 G HN -0.550 8.005 8.290 0.081 -0.216 0.627 166 Q N 1.919 121.739 119.800 0.033 0.000 2.283 166 Q HA -0.227 4.315 4.340 0.010 -0.196 0.301 166 Q C -0.402 175.613 176.000 0.025 0.000 1.063 166 Q CA 1.417 57.232 55.803 0.021 0.000 0.952 166 Q CB 0.471 29.221 28.738 0.020 0.000 1.166 166 Q HN 0.368 8.660 8.270 0.037 0.000 0.381 167 T N 8.998 123.564 114.554 0.019 0.000 2.861 167 T HA 0.247 4.615 4.350 0.030 0.000 0.287 167 T C -1.843 172.868 174.700 0.018 0.000 1.003 167 T CA -0.826 61.289 62.100 0.026 0.000 0.977 167 T CB 2.034 70.924 68.868 0.036 0.000 0.996 167 T HN 0.674 8.921 8.240 0.011 0.000 0.448 168 I N 4.873 125.457 120.570 0.022 0.000 2.354 168 I HA 0.755 5.139 4.170 0.009 -0.208 0.292 168 I C 0.185 176.313 176.117 0.018 0.000 0.989 168 I CA -2.509 58.801 61.300 0.017 0.000 1.188 168 I CB 0.458 38.473 38.000 0.026 0.000 1.342 168 I HN 0.338 8.564 8.210 0.027 0.000 0.457 169 T N 4.559 119.116 114.554 0.005 0.000 2.908 169 T HA 0.368 4.726 4.350 0.013 0.000 0.290 169 T C -1.869 172.817 174.700 -0.024 0.000 1.034 169 T CA -2.062 60.039 62.100 0.002 0.000 1.010 169 T CB 2.525 71.396 68.868 0.004 0.000 1.068 169 T HN 0.203 8.441 8.240 -0.003 0.000 0.481 170 Q N 4.978 124.762 119.800 -0.026 0.000 2.353 170 Q HA 0.770 5.214 4.340 -0.110 -0.169 0.268 170 Q C -1.042 174.919 176.000 -0.065 0.000 1.045 170 Q CA -1.097 54.662 55.803 -0.073 0.000 0.811 170 Q CB 3.468 32.169 28.738 -0.063 0.000 1.305 170 Q HN 0.054 8.319 8.270 -0.009 0.000 0.447 171 G N 4.274 113.017 108.800 -0.095 0.000 2.772 171 G HA2 0.716 4.642 3.960 -0.056 0.000 0.284 171 G HA3 0.716 4.804 3.960 -0.064 -0.167 0.284 171 G C -2.626 172.223 174.900 -0.085 0.000 1.217 171 G CA 0.296 45.353 45.100 -0.073 0.000 0.831 171 G HN 0.475 8.688 8.290 -0.128 0.000 0.523 172 I N -5.895 114.636 120.570 -0.064 0.000 3.191 172 I HA 0.907 5.209 4.170 -0.062 -0.169 0.313 172 I C -1.128 174.965 176.117 -0.041 0.000 1.193 172 I CA -2.466 58.803 61.300 -0.052 0.000 0.968 172 I CB 4.548 42.528 38.000 -0.032 0.000 1.262 172 I HN 0.520 9.005 8.210 -0.059 -0.310 0.456 173 I N 1.478 122.036 120.570 -0.021 0.000 2.505 173 I HA -0.045 4.243 4.170 -0.013 -0.126 0.287 173 I C 0.453 176.565 176.117 -0.008 0.000 1.104 173 I CA 1.127 62.424 61.300 -0.006 0.000 1.387 173 I CB -0.575 37.436 38.000 0.020 0.000 1.404 173 I HN 0.063 8.264 8.210 -0.015 0.000 0.528 174 S N 9.474 125.158 115.700 -0.027 0.000 2.439 174 S HA 0.002 4.454 4.470 -0.030 0.000 0.224 174 S C -0.801 173.793 174.600 -0.009 0.000 1.029 174 S CA 1.183 59.362 58.200 -0.035 0.000 0.946 174 S CB 0.740 63.891 63.200 -0.082 0.000 0.797 174 S HN 0.825 9.000 8.310 -0.039 0.112 0.504 175 A N -1.917 120.911 122.820 0.014 0.000 2.566 175 A HA 0.344 4.689 4.320 0.042 0.000 0.290 175 A C -2.866 174.764 177.584 0.077 0.000 1.071 175 A CA 0.039 52.103 52.037 0.045 0.000 0.658 175 A CB 1.855 20.886 19.000 0.052 0.000 1.285 175 A HN -0.859 7.300 8.150 0.015 0.000 0.427 176 T N -3.811 110.792 114.554 0.083 0.000 2.906 176 T HA 0.331 4.864 4.350 0.114 -0.114 0.295 176 T C 0.302 175.059 174.700 0.094 0.000 1.075 176 T CA -2.234 59.921 62.100 0.092 0.000 1.005 176 T CB 2.263 71.169 68.868 0.062 0.000 1.136 176 T HN 0.015 8.298 8.240 0.073 0.000 0.498 177 G N -0.203 108.654 108.800 0.094 0.000 2.246 177 G HA2 -0.378 3.615 3.960 0.055 0.000 0.273 177 G HA3 -0.378 3.614 3.960 0.054 0.000 0.273 177 G C -0.355 174.610 174.900 0.108 0.000 1.055 177 G CA 0.514 45.659 45.100 0.075 0.000 0.851 177 G HN 0.145 8.492 8.290 0.094 0.000 0.500 178 R N -1.394 119.217 120.500 0.186 0.000 2.474 178 R HA 0.343 4.763 4.340 0.134 0.000 0.295 178 R C 0.333 176.755 176.300 0.204 0.000 0.980 178 R CA -1.714 54.501 56.100 0.191 0.000 0.934 178 R CB 1.354 31.826 30.300 0.288 0.000 1.101 178 R HN -0.632 7.781 8.270 0.237 0.000 0.469 179 I N -2.679 117.946 120.570 0.092 0.000 3.291 179 I HA 0.141 4.574 4.170 0.169 -0.162 0.279 179 I C 0.380 176.450 176.117 -0.078 0.000 1.294 179 I CA 0.607 61.956 61.300 0.082 0.000 1.428 179 I CB 0.563 38.581 38.000 0.030 0.000 1.070 179 I HN 0.413 8.660 8.210 0.061 0.000 0.478 180 G N 0.097 108.630 108.800 -0.446 0.000 2.498 180 G HA2 -0.367 2.142 3.960 -2.419 0.000 0.245 180 G HA3 -0.367 2.806 3.960 -1.313 0.000 0.245 180 G C -0.343 174.193 174.900 -0.608 0.000 1.204 180 G CA 0.395 44.748 45.100 -1.244 0.000 0.933 180 G HN -0.267 7.770 8.290 -0.342 0.049 0.574 181 L N 2.607 123.539 121.223 -0.484 0.000 2.156 181 L HA -0.051 4.290 4.340 0.001 0.000 0.208 181 L C 0.274 177.078 176.870 -0.111 0.000 1.095 181 L CA 0.992 55.729 54.840 -0.172 0.000 0.770 181 L CB 0.059 41.983 42.059 -0.225 0.000 0.914 181 L HN 0.126 7.987 8.230 -0.616 0.000 0.439 182 N N -1.179 117.449 118.700 -0.119 0.000 2.441 182 N HA 0.049 4.753 4.740 -0.061 0.000 0.251 182 N C -1.398 174.094 175.510 -0.031 0.000 1.242 182 N CA -0.733 52.280 53.050 -0.062 0.000 0.898 182 N CB -0.291 38.172 38.487 -0.042 0.000 1.100 182 N HN -0.290 7.998 8.380 -0.153 0.000 0.443 183 P HA -0.116 4.308 4.420 0.007 0.000 0.215 183 P C -0.602 176.698 177.300 0.001 0.000 1.157 183 P CA 1.334 64.433 63.100 -0.002 0.000 0.874 183 P CB 0.423 32.121 31.700 -0.003 0.000 0.790 184 T N -2.197 112.356 114.554 -0.002 0.000 2.928 184 T HA 0.119 4.473 4.350 0.006 0.000 0.296 184 T C -1.581 173.122 174.700 0.006 0.000 1.000 184 T CA -0.421 61.681 62.100 0.003 0.000 0.989 184 T CB 1.594 70.463 68.868 0.002 0.000 1.005 184 T HN -0.554 7.683 8.240 -0.005 0.000 0.442 185 G N 3.271 112.080 108.800 0.015 0.000 2.687 185 G HA2 0.310 4.283 3.960 0.021 0.000 0.301 185 G HA3 0.310 4.300 3.960 0.050 0.000 0.301 185 G C -0.866 174.043 174.900 0.016 0.000 1.416 185 G CA -0.370 44.746 45.100 0.027 0.000 1.005 185 G HN -0.052 8.248 8.290 0.016 0.000 0.509 186 R N 2.524 123.024 120.500 -0.001 0.000 2.081 186 R HA -0.145 4.186 4.340 -0.016 0.000 0.235 186 R C 0.335 176.610 176.300 -0.042 0.000 1.131 186 R CA 1.779 57.867 56.100 -0.020 0.000 0.960 186 R CB -0.544 29.740 30.300 -0.026 0.000 0.856 186 R HN 0.389 8.659 8.270 -0.000 0.000 0.436 187 Q N -0.688 119.073 119.800 -0.064 0.000 2.392 187 Q HA -0.041 4.199 4.340 -0.167 0.000 0.262 187 Q C -1.694 174.213 176.000 -0.155 0.000 1.003 187 Q CA -1.102 54.601 55.803 -0.167 0.000 0.888 187 Q CB 0.894 29.451 28.738 -0.301 0.000 1.260 187 Q HN -0.135 8.109 8.270 -0.043 0.000 0.435 188 N N 0.420 118.994 118.700 -0.210 0.000 2.400 188 N HA 0.236 5.096 4.740 -0.001 -0.120 0.288 188 N C -1.209 174.187 175.510 -0.189 0.000 1.024 188 N CA -0.936 52.051 53.050 -0.106 0.000 0.894 188 N CB 1.726 40.178 38.487 -0.059 0.000 1.173 188 N HN 0.097 8.336 8.380 -0.236 0.000 0.487 189 F N 0.774 120.748 119.950 0.040 0.000 2.522 189 F HA 0.307 4.994 4.527 0.085 -0.109 0.324 189 F C -0.026 175.855 175.800 0.137 0.000 1.077 189 F CA -1.206 56.856 58.000 0.102 0.000 0.944 189 F CB 4.040 43.141 39.000 0.168 0.000 1.175 189 F HN 0.011 8.574 8.300 0.299 -0.084 0.468 190 L N 0.825 122.256 121.223 0.346 0.000 2.380 190 L HA 0.147 4.732 4.340 0.190 -0.132 0.273 190 L C -0.927 176.100 176.870 0.262 0.000 1.138 190 L CA -0.408 54.574 54.840 0.238 0.000 0.832 190 L CB 0.341 42.494 42.059 0.155 0.000 1.124 190 L HN 0.213 8.634 8.230 0.319 0.000 0.454 191 Q N 3.582 123.460 119.800 0.130 0.000 2.274 191 Q HA 0.795 5.187 4.340 -0.235 -0.193 0.260 191 Q C -0.973 174.952 176.000 -0.125 0.000 0.974 191 Q CA -1.584 54.160 55.803 -0.098 0.000 0.876 191 Q CB 3.446 32.114 28.738 -0.118 0.000 1.297 191 Q HN 0.216 8.555 8.270 0.115 0.000 0.446 192 T N 4.407 118.834 114.554 -0.212 0.000 2.883 192 T HA 0.703 5.140 4.350 -0.104 -0.150 0.301 192 T C -1.601 173.004 174.700 -0.159 0.000 1.158 192 T CA -2.808 59.210 62.100 -0.136 0.000 1.007 192 T CB 1.556 70.376 68.868 -0.080 0.000 1.186 192 T HN 0.474 8.519 8.240 -0.325 0.000 0.499 193 D N 4.480 124.815 120.400 -0.109 0.000 2.402 193 D HA 0.230 4.871 4.640 -0.109 -0.066 0.216 193 D C -0.084 176.178 176.300 -0.064 0.000 1.128 193 D CA -1.686 52.259 54.000 -0.092 0.000 0.833 193 D CB -0.102 40.653 40.800 -0.075 0.000 0.971 193 D HN -0.018 8.298 8.370 -0.090 0.000 0.503 194 A N 1.390 124.172 122.820 -0.063 0.000 2.522 194 A HA -0.182 4.264 4.320 -0.042 -0.151 0.256 194 A C -0.494 177.069 177.584 -0.035 0.000 1.086 194 A CA 0.886 52.895 52.037 -0.047 0.000 0.763 194 A CB 0.272 19.242 19.000 -0.051 0.000 1.024 194 A HN -0.694 7.369 8.150 -0.070 0.045 0.502 195 S N 2.532 118.222 115.700 -0.017 0.000 2.546 195 S HA -0.125 4.343 4.470 -0.004 0.000 0.290 195 S C -0.816 173.787 174.600 0.005 0.000 1.262 195 S CA 0.969 59.169 58.200 0.000 0.000 1.083 195 S CB 0.015 63.226 63.200 0.019 0.000 0.859 195 S HN 0.214 8.516 8.310 -0.013 0.000 0.495 196 I N 6.906 127.479 120.570 0.006 0.000 2.465 196 I HA 0.149 4.319 4.170 -0.001 0.000 0.291 196 I C -1.639 174.488 176.117 0.017 0.000 1.014 196 I CA -1.347 59.955 61.300 0.004 0.000 1.093 196 I CB 1.959 39.957 38.000 -0.004 0.000 1.267 196 I HN 0.405 8.618 8.210 0.006 0.000 0.431 197 N N 4.112 122.806 118.700 -0.010 0.000 2.831 197 N HA 0.308 5.056 4.740 0.013 0.000 0.276 197 N C -1.673 173.743 175.510 -0.157 0.000 1.416 197 N CA -1.724 51.302 53.050 -0.040 0.000 0.799 197 N CB 4.355 42.850 38.487 0.012 0.000 1.554 197 N HN -0.016 8.631 8.380 -0.030 -0.285 0.541 198 H N 0.113 118.944 119.070 -0.398 0.000 3.070 198 H HA -0.258 4.172 4.556 -0.211 0.000 0.313 198 H C 0.637 175.702 175.328 -0.438 0.000 0.997 198 H CA 2.445 58.255 56.048 -0.397 0.000 1.438 198 H CB 0.452 29.948 29.762 -0.444 0.000 1.455 198 H HN 0.422 8.552 8.280 -0.249 0.000 0.575 199 G N 6.237 114.628 108.800 -0.682 0.000 2.278 199 G HA2 -0.466 3.343 3.960 -0.521 0.000 0.210 199 G HA3 -0.466 3.398 3.960 -0.412 -0.152 0.210 199 G C -0.773 173.966 174.900 -0.268 0.000 1.000 199 G CA -0.055 44.761 45.100 -0.474 0.000 0.635 199 G HN 0.523 8.409 8.290 -0.673 0.000 0.495 203 G N 0.944 109.727 108.800 -0.029 0.000 2.535 203 G HA2 0.376 4.319 3.960 -0.027 0.000 0.282 203 G HA3 0.376 4.508 3.960 -0.029 -0.189 0.282 203 G C -2.234 172.666 174.900 0.001 0.000 1.350 203 G CA -0.924 44.163 45.100 -0.022 0.000 1.039 203 G HN -0.499 7.772 8.290 -0.030 0.000 0.509 204 A N -2.179 120.639 122.820 -0.003 0.000 2.317 204 A HA 0.573 5.036 4.320 0.014 -0.135 0.327 204 A C -2.189 175.396 177.584 0.001 0.000 1.178 204 A CA -1.796 50.243 52.037 0.003 0.000 0.817 204 A CB 2.929 21.924 19.000 -0.008 0.000 1.189 204 A HN -0.189 7.956 8.150 -0.009 0.000 0.489 205 L N 4.783 126.012 121.223 0.010 0.000 2.298 205 L HA 0.830 5.346 4.340 -0.012 -0.184 0.284 205 L C -1.660 175.198 176.870 -0.020 0.000 1.013 205 L CA -1.131 53.709 54.840 -0.000 0.000 0.824 205 L CB 2.916 44.989 42.059 0.024 0.000 1.221 205 L HN 0.050 8.294 8.230 0.023 0.000 0.418 206 V N 1.366 121.255 119.914 -0.042 0.000 2.960 206 V HA 1.012 5.233 4.120 -0.077 -0.147 0.315 206 V C -1.462 174.589 176.094 -0.072 0.000 1.087 206 V CA -3.844 58.417 62.300 -0.064 0.000 0.982 206 V CB 3.748 35.535 31.823 -0.061 0.000 1.039 206 V HN 0.522 8.685 8.190 -0.044 0.000 0.437 207 N N 0.624 119.278 118.700 -0.076 0.000 2.431 207 N HA 0.447 5.300 4.740 -0.085 -0.163 0.289 207 N C 1.932 177.404 175.510 -0.062 0.000 1.277 207 N CA -1.413 51.594 53.050 -0.071 0.000 0.972 207 N CB 0.792 39.248 38.487 -0.051 0.000 1.143 207 N HN -0.165 8.164 8.380 -0.086 0.000 0.578 208 S N -1.156 114.521 115.700 -0.039 0.000 2.555 208 S HA -0.135 4.348 4.470 0.021 0.000 0.230 208 S C 0.731 175.370 174.600 0.065 0.000 0.978 208 S CA 2.128 60.352 58.200 0.038 0.000 0.934 208 S CB -0.740 62.544 63.200 0.141 0.000 0.766 208 S HN 0.358 8.648 8.310 -0.034 0.000 0.533 209 L N -2.407 118.827 121.223 0.018 0.000 2.567 209 L HA 0.159 4.515 4.340 0.026 0.000 0.225 209 L C 0.614 177.479 176.870 -0.008 0.000 1.119 209 L CA 0.062 54.908 54.840 0.010 0.000 0.871 209 L CB 0.133 42.189 42.059 -0.004 0.000 1.036 209 L HN -0.433 8.016 8.230 -0.002 -0.220 0.459 210 G N -2.630 106.158 108.800 -0.021 0.000 2.175 210 G HA2 -0.452 3.491 3.960 -0.028 0.000 0.244 210 G HA3 -0.452 3.495 3.960 -0.023 0.000 0.244 210 G C -0.412 174.447 174.900 -0.068 0.000 0.982 210 G CA -0.184 44.896 45.100 -0.033 0.000 0.641 210 G HN -0.348 7.850 8.290 -0.024 0.078 0.527 211 E N -0.064 120.079 120.200 -0.095 0.000 2.392 211 E HA -0.227 4.168 4.350 -0.165 -0.144 0.264 211 E C -0.738 175.731 176.600 -0.218 0.000 1.024 211 E CA -0.132 56.168 56.400 -0.168 0.000 0.903 211 E CB 0.765 30.353 29.700 -0.187 0.000 0.963 211 E HN -0.701 7.736 8.360 -0.081 -0.125 0.432 212 L N 4.302 125.344 121.223 -0.302 0.000 2.418 212 L HA -0.166 4.075 4.340 -0.164 0.000 0.274 212 L C -0.872 175.743 176.870 -0.425 0.000 1.135 212 L CA 1.129 55.801 54.840 -0.281 0.000 0.870 212 L CB 0.357 42.286 42.059 -0.218 0.000 1.154 212 L HN -0.090 7.947 8.230 -0.320 0.000 0.462 213 M N 4.029 123.557 119.600 -0.121 0.000 2.657 213 M HA 0.170 4.730 4.480 0.133 0.000 0.262 213 M C 0.082 176.544 176.300 0.270 0.000 1.213 213 M CA 0.293 55.646 55.300 0.088 0.000 1.182 213 M CB 1.875 34.505 32.600 0.049 0.000 1.303 213 M HN 0.657 8.905 8.290 -0.070 0.000 0.501 214 G N -4.404 104.488 108.800 0.153 0.000 2.548 214 G HA2 0.336 4.564 3.960 0.197 0.000 0.301 214 G HA3 0.336 4.404 3.960 0.152 -0.017 0.301 214 G C -2.897 172.068 174.900 0.109 0.000 1.349 214 G CA 0.404 45.599 45.100 0.159 0.000 0.792 214 G HN -0.500 7.842 8.290 0.087 0.000 0.481 215 I N -0.677 119.960 120.570 0.111 0.000 2.354 215 I HA 0.585 4.982 4.170 0.069 -0.186 0.286 215 I C -0.568 175.622 176.117 0.122 0.000 1.007 215 I CA -3.707 57.647 61.300 0.091 0.000 1.167 215 I CB 0.148 38.193 38.000 0.075 0.000 1.320 215 I HN 0.116 8.399 8.210 0.121 0.000 0.458 216 N N 8.835 127.591 118.700 0.093 0.000 2.412 216 N HA -0.096 4.852 4.740 0.136 -0.127 0.258 216 N C -0.037 175.551 175.510 0.130 0.000 1.236 216 N CA 1.645 54.758 53.050 0.106 0.000 0.882 216 N CB 0.350 38.868 38.487 0.053 0.000 1.066 216 N HN 0.052 8.471 8.380 0.065 0.000 0.465 217 T N 3.236 117.900 114.554 0.184 0.000 3.254 217 T HA 0.428 5.153 4.350 0.224 -0.240 0.267 217 T C -0.425 174.385 174.700 0.183 0.000 0.946 217 T CA 0.467 62.705 62.100 0.229 0.000 0.991 217 T CB 2.371 71.444 68.868 0.343 0.000 1.205 217 T HN 0.263 8.616 8.240 0.188 0.000 0.494 218 L N 0.479 121.785 121.223 0.138 0.000 2.371 218 L HA 0.339 4.712 4.340 0.056 0.000 0.262 218 L C -2.067 174.893 176.870 0.150 0.000 1.006 218 L CA -0.972 53.925 54.840 0.096 0.000 0.818 218 L CB 4.063 46.120 42.059 -0.004 0.000 1.354 218 L HN -0.740 7.587 8.230 0.163 0.000 0.415 219 S N -0.090 115.682 115.700 0.119 0.000 2.605 219 S HA 0.183 4.725 4.470 0.119 0.000 0.308 219 S C -1.077 173.623 174.600 0.168 0.000 1.113 219 S CA -1.579 56.695 58.200 0.124 0.000 1.049 219 S CB 1.529 64.769 63.200 0.067 0.000 1.001 219 S HN 0.059 8.414 8.310 0.075 0.000 0.480 220 F N 9.063 129.075 119.950 0.104 0.000 2.538 220 F HA -0.213 4.391 4.527 0.128 0.000 0.382 220 F C -1.730 174.097 175.800 0.045 0.000 1.069 220 F CA 1.462 59.531 58.000 0.115 0.000 1.138 220 F CB 0.431 39.520 39.000 0.150 0.000 1.068 220 F HN 0.081 8.599 8.300 0.365 0.000 0.556 228 T N 2.646 117.226 114.554 0.043 0.000 2.744 228 T HA 0.258 4.641 4.350 0.055 0.000 0.291 228 T C -1.965 172.779 174.700 0.073 0.000 0.957 228 T CA -1.856 60.276 62.100 0.053 0.000 1.002 228 T CB 0.604 69.496 68.868 0.041 0.000 0.919 228 T HN -0.376 7.886 8.240 0.037 0.000 0.468 229 P HA 0.060 4.551 4.420 0.117 0.000 0.271 229 P C -1.819 175.534 177.300 0.090 0.000 1.216 229 P CA -0.331 62.856 63.100 0.145 0.000 0.776 229 P CB 0.765 32.667 31.700 0.337 0.000 0.881 230 E N 1.698 121.925 120.200 0.045 0.000 2.224 230 E HA 0.034 4.403 4.350 0.031 0.000 0.265 230 E C 0.331 176.924 176.600 -0.013 0.000 0.878 230 E CA -0.650 55.762 56.400 0.020 0.000 0.759 230 E CB 1.318 31.026 29.700 0.013 0.000 1.164 230 E HN 0.103 8.481 8.360 0.030 0.000 0.414 231 G N 3.470 112.258 108.800 -0.019 0.000 2.198 231 G HA2 -0.390 3.540 3.960 -0.049 0.000 0.260 231 G HA3 -0.390 3.538 3.960 -0.053 0.000 0.260 231 G C -1.251 173.582 174.900 -0.112 0.000 1.025 231 G CA 0.397 45.465 45.100 -0.055 0.000 0.769 231 G HN 0.642 8.930 8.290 -0.004 0.000 0.507 232 I N 0.221 120.718 120.570 -0.120 0.000 2.437 232 I HA 0.128 4.098 4.170 -0.333 0.000 0.279 232 I C -1.866 174.062 176.117 -0.315 0.000 1.028 232 I CA -0.821 60.325 61.300 -0.257 0.000 1.142 232 I CB 0.383 38.232 38.000 -0.252 0.000 1.266 232 I HN -0.364 7.810 8.210 -0.060 0.000 0.461 233 G N 4.878 113.379 108.800 -0.499 0.000 2.605 233 G HA2 0.847 4.733 3.960 -0.283 0.000 0.296 233 G HA3 0.847 4.672 3.960 -0.226 0.000 0.296 233 G C -2.614 171.849 174.900 -0.729 0.000 1.304 233 G CA -1.393 43.451 45.100 -0.426 0.000 0.941 233 G HN 0.231 8.221 8.290 -0.500 0.000 0.475 234 F N -2.123 117.799 119.950 -0.047 0.000 2.578 234 F HA 0.910 5.636 4.527 -0.002 -0.200 0.311 234 F C -2.083 173.774 175.800 0.095 0.000 1.094 234 F CA -1.724 56.236 58.000 -0.067 0.000 0.923 234 F CB 5.053 43.774 39.000 -0.465 0.000 1.230 234 F HN 0.039 8.362 8.300 0.039 0.000 0.450 235 A N 0.068 123.166 122.820 0.463 0.000 2.449 235 A HA 0.750 5.439 4.320 0.366 -0.149 0.302 235 A C -1.948 175.908 177.584 0.453 0.000 1.048 235 A CA -2.169 50.103 52.037 0.392 0.000 0.708 235 A CB 3.856 22.980 19.000 0.207 0.000 1.274 235 A HN 0.741 9.197 8.150 0.509 0.000 0.410 236 I N 1.949 122.679 120.570 0.267 0.000 2.533 236 I HA 0.167 4.219 4.170 -0.197 0.000 0.284 236 I C -1.473 174.661 176.117 0.029 0.000 1.109 236 I CA -3.171 58.129 61.300 -0.000 0.000 1.412 236 I CB -0.575 37.404 38.000 -0.036 0.000 1.396 236 I HN -0.056 8.315 8.210 0.268 0.000 0.543 237 P HA 0.046 4.631 4.420 0.062 -0.128 0.267 237 P C 0.979 178.261 177.300 -0.030 0.000 1.200 237 P CA 0.038 63.125 63.100 -0.022 0.000 0.772 237 P CB 0.248 31.873 31.700 -0.124 0.000 0.855 238 F N 1.942 121.876 119.950 -0.027 0.000 2.365 238 F HA -0.303 4.210 4.527 -0.023 0.000 0.300 238 F C 1.101 176.880 175.800 -0.035 0.000 1.090 238 F CA 3.204 61.188 58.000 -0.027 0.000 1.408 238 F CB -0.512 38.475 39.000 -0.022 0.000 1.060 238 F HN -0.094 8.369 8.300 0.272 0.000 0.534 239 Q N 0.028 119.385 119.800 -0.738 0.000 2.083 239 Q HA -0.292 3.767 4.340 -0.470 0.000 0.198 239 Q C 2.084 177.935 176.000 -0.248 0.000 0.969 239 Q CA 3.368 58.845 55.803 -0.544 0.000 0.838 239 Q CB -1.004 27.368 28.738 -0.609 0.000 0.900 239 Q HN 0.081 7.787 8.270 -0.883 0.034 0.436 240 L N -0.784 120.310 121.223 -0.216 0.000 2.093 240 L HA -0.236 4.021 4.340 -0.138 0.000 0.208 240 L C 1.117 177.927 176.870 -0.100 0.000 1.085 240 L CA 2.438 57.189 54.840 -0.148 0.000 0.755 240 L CB -0.574 41.388 42.059 -0.162 0.000 0.904 240 L HN -0.651 7.431 8.230 -0.246 0.000 0.435 241 A N -1.905 120.871 122.820 -0.072 0.000 1.898 241 A HA -0.315 3.986 4.320 -0.032 0.000 0.216 241 A C 2.019 179.595 177.584 -0.013 0.000 1.181 241 A CA 3.341 55.364 52.037 -0.024 0.000 0.620 241 A CB -0.853 18.162 19.000 0.025 0.000 0.819 241 A HN -0.320 7.783 8.150 -0.078 0.000 0.442 242 T N 0.014 114.565 114.554 -0.004 0.000 2.821 242 T HA -0.392 3.963 4.350 0.009 0.000 0.267 242 T C 2.001 176.681 174.700 -0.033 0.000 1.046 242 T CA 4.893 66.994 62.100 0.001 0.000 1.139 242 T CB -0.221 68.670 68.868 0.038 0.000 0.871 242 T HN -0.378 7.858 8.240 -0.008 0.000 0.454 243 K N 1.673 122.041 120.400 -0.053 0.000 2.057 243 K HA -0.262 4.025 4.320 -0.055 0.000 0.206 243 K C 2.363 178.930 176.600 -0.055 0.000 1.050 243 K CA 3.395 59.647 56.287 -0.058 0.000 0.935 243 K CB -0.123 32.335 32.500 -0.070 0.000 0.715 243 K HN -0.734 7.478 8.250 -0.064 0.000 0.439 244 I N -0.388 120.150 120.570 -0.054 0.000 2.315 244 I HA -0.392 3.750 4.170 -0.047 0.000 0.248 244 I C 1.758 177.848 176.117 -0.045 0.000 1.117 244 I CA 2.428 63.700 61.300 -0.047 0.000 1.404 244 I CB -0.688 37.286 38.000 -0.044 0.000 1.071 244 I HN -0.403 7.774 8.210 -0.056 0.000 0.419 245 M N 1.366 120.939 119.600 -0.044 0.000 2.086 245 M HA -0.538 3.916 4.480 -0.044 0.000 0.261 245 M C 1.250 177.493 176.300 -0.095 0.000 1.067 245 M CA 4.656 59.923 55.300 -0.055 0.000 1.116 245 M CB -0.188 32.385 32.600 -0.044 0.000 1.348 245 M HN -0.312 7.955 8.290 -0.039 0.000 0.407 246 D N -1.192 119.153 120.400 -0.091 0.000 2.178 246 D HA -0.277 4.274 4.640 -0.149 0.000 0.201 246 D C 2.648 178.892 176.300 -0.093 0.000 0.980 246 D CA 3.465 57.400 54.000 -0.109 0.000 0.842 246 D CB -0.666 40.085 40.800 -0.082 0.000 0.948 246 D HN -0.366 7.960 8.370 -0.074 0.000 0.472 247 K N -0.598 119.760 120.400 -0.069 0.000 2.167 247 K HA -0.149 4.139 4.320 -0.053 0.000 0.203 247 K C 2.325 178.895 176.600 -0.049 0.000 1.052 247 K CA 3.069 59.323 56.287 -0.054 0.000 0.956 247 K CB 0.121 32.595 32.500 -0.044 0.000 0.735 247 K HN -0.785 7.314 8.250 -0.064 0.113 0.451 248 L N -0.841 120.352 121.223 -0.050 0.000 2.179 248 L HA -0.287 4.039 4.340 -0.023 0.000 0.208 248 L C 1.862 178.708 176.870 -0.040 0.000 1.096 248 L CA 2.803 57.623 54.840 -0.033 0.000 0.779 248 L CB -0.066 41.981 42.059 -0.020 0.000 0.922 248 L HN -0.522 7.675 8.230 -0.055 0.000 0.443 249 I N -2.406 118.107 120.570 -0.095 0.000 2.315 249 I HA -0.487 3.632 4.170 -0.085 0.000 0.248 249 I C 1.714 177.778 176.117 -0.088 0.000 1.117 249 I CA 3.544 64.756 61.300 -0.145 0.000 1.404 249 I CB -0.183 37.583 38.000 -0.389 0.000 1.071 249 I HN -0.330 7.809 8.210 -0.118 0.000 0.419 250 R N -0.705 119.747 120.500 -0.080 0.000 2.062 250 R HA -0.162 4.147 4.340 -0.051 0.000 0.226 250 R C 1.259 177.542 176.300 -0.028 0.000 1.125 250 R CA 2.750 58.818 56.100 -0.053 0.000 0.966 250 R CB 0.657 30.925 30.300 -0.054 0.000 0.861 250 R HN -0.494 7.724 8.270 -0.087 0.000 0.433 251 D N -5.740 114.644 120.400 -0.026 0.000 2.407 251 D HA 0.155 4.788 4.640 -0.012 0.000 0.208 251 D C 0.248 176.543 176.300 -0.007 0.000 1.083 251 D CA -0.126 53.865 54.000 -0.015 0.000 0.844 251 D CB 0.750 41.540 40.800 -0.017 0.000 0.967 251 D HN -0.465 7.886 8.370 -0.032 0.000 0.506 252 G N -0.446 108.351 108.800 -0.005 0.000 2.245 252 G HA2 -0.412 3.663 3.960 0.012 0.000 0.264 252 G HA3 -0.412 3.553 3.960 0.008 0.000 0.264 252 G C -1.681 173.221 174.900 0.002 0.000 0.985 252 G CA 0.890 45.993 45.100 0.005 0.000 0.625 252 G HN 0.335 8.526 8.290 -0.011 0.092 0.536 253 R N -4.071 116.426 120.500 -0.005 0.000 2.747 253 R HA 0.281 4.618 4.340 -0.005 0.000 0.272 253 R C -2.338 173.954 176.300 -0.013 0.000 1.032 253 R CA -1.586 54.510 56.100 -0.006 0.000 0.896 253 R CB 2.221 32.519 30.300 -0.003 0.000 1.253 253 R HN -0.909 7.255 8.270 -0.009 0.101 0.461 254 V N 1.144 121.050 119.914 -0.014 0.000 2.334 254 V HA 0.068 4.175 4.120 -0.022 0.000 0.267 254 V C -0.804 175.280 176.094 -0.016 0.000 1.040 254 V CA -0.433 61.856 62.300 -0.019 0.000 0.866 254 V CB 0.048 31.858 31.823 -0.022 0.000 1.019 254 V HN 0.294 8.478 8.190 -0.011 0.000 0.468 255 I N 8.632 129.192 120.570 -0.017 0.000 2.379 255 I HA -0.014 4.149 4.170 -0.012 0.000 0.290 255 I C -0.550 175.557 176.117 -0.016 0.000 1.063 255 I CA 0.168 61.460 61.300 -0.015 0.000 1.351 255 I CB -0.152 37.840 38.000 -0.014 0.000 1.410 255 I HN 0.250 8.449 8.210 -0.018 0.000 0.505 256 R N 0.000 120.491 120.500 -0.015 0.000 2.786 256 R HA 0.000 4.329 4.340 -0.018 0.000 0.208 256 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 256 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 256 R HN 0.000 8.262 8.270 -0.013 0.000 0.535