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 2vcv_1_K DATA FIRST_RESID 4 DATA SEQUENCE KPKLHYFNGR GRMEPIRWLL AAAGVEFEEK FIGSAEDLGK LRNDGSLMFQ DATA SEQUENCE QVPMVEIDGM KLVQTRAILN YIASKYNLYG KDIKERALID MYTEGMADLN DATA SEQUENCE EMILLLPLCR PEEKDAKIAL IKEKTKSRYF PAFEKVLQSH GQDYLVGNKL DATA SEQUENCE SRADISLVEL LYYVEELDSS LISNFPLLKA LKTRISNLPT VKKFLQPGSP DATA SEQUENCE RKPPADAKAL EEARKIFRF 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 4 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4 K C 0.000 176.656 176.600 0.094 0.000 0.988 4 K CA 0.000 56.335 56.287 0.080 0.000 0.838 4 K CB 0.000 32.528 32.500 0.046 0.000 1.064 5 P HA 0.034 4.454 4.420 -0.000 0.000 0.266 5 P C -1.070 176.282 177.300 0.087 0.000 1.195 5 P CA -0.233 62.931 63.100 0.106 0.000 0.768 5 P CB 0.535 32.302 31.700 0.111 0.000 0.838 6 K N 2.995 123.419 120.400 0.041 0.000 2.274 6 K HA 0.422 4.741 4.320 -0.001 0.000 0.262 6 K C -1.123 175.419 176.600 -0.097 0.000 0.961 6 K CA -0.315 55.948 56.287 -0.040 0.000 0.833 6 K CB 0.366 32.836 32.500 -0.049 0.000 1.102 6 K HN 0.332 8.582 8.250 -0.000 0.000 0.436 7 L N 5.456 126.581 121.223 -0.164 0.000 2.265 7 L HA 0.398 4.737 4.340 -0.001 0.000 0.289 7 L C -0.183 176.561 176.870 -0.209 0.000 1.033 7 L CA -0.835 53.929 54.840 -0.127 0.000 0.814 7 L CB 1.036 43.036 42.059 -0.098 0.000 1.203 7 L HN 0.556 8.786 8.230 -0.000 0.000 0.423 8 H N 4.170 123.293 119.070 0.089 0.000 2.641 8 H HA 0.428 4.984 4.556 -0.001 0.000 0.295 8 H C -1.275 174.246 175.328 0.322 0.000 1.070 8 H CA -0.183 55.959 56.048 0.156 0.000 1.257 8 H CB 1.294 31.130 29.762 0.123 0.000 1.393 8 H HN 0.488 8.768 8.280 -0.000 0.000 0.464 9 Y N 2.433 122.870 120.300 0.228 0.000 2.713 9 Y HA 0.138 4.687 4.550 -0.001 0.000 0.335 9 Y C -0.913 175.184 175.900 0.328 0.000 1.222 9 Y CA -1.798 56.440 58.100 0.231 0.000 1.061 9 Y CB 1.038 39.522 38.460 0.040 0.000 1.314 9 Y HN 0.421 8.701 8.280 -0.000 0.000 0.453 10 F N 1.071 120.990 119.950 -0.051 0.000 2.485 10 F HA 0.326 4.853 4.527 -0.001 0.000 0.327 10 F C 0.487 176.332 175.800 0.075 0.000 1.203 10 F CA -0.688 57.323 58.000 0.018 0.000 1.295 10 F CB 0.336 39.293 39.000 -0.071 0.000 1.191 10 F HN 0.453 8.753 8.300 -0.000 0.000 0.588 11 N N 1.519 120.202 118.700 -0.028 0.000 2.671 11 N HA 0.434 5.174 4.740 -0.001 0.000 0.274 11 N C -0.397 175.072 175.510 -0.068 0.000 1.188 11 N CA 0.396 53.145 53.050 -0.501 0.000 1.065 11 N CB -0.297 37.672 38.487 -0.863 0.000 1.415 11 N HN 1.070 9.450 8.380 -0.000 0.000 0.511 12 G N 1.268 109.997 108.800 -0.119 0.000 2.356 12 G HA2 0.144 4.104 3.960 -0.001 0.000 0.294 12 G HA3 0.144 4.104 3.960 -0.001 0.000 0.294 12 G C 0.380 175.260 174.900 -0.033 0.000 1.423 12 G CA -0.684 44.458 45.100 0.071 0.000 0.806 12 G HN 0.327 8.617 8.290 -0.000 0.000 0.527 13 R N -0.174 120.394 120.500 0.113 0.000 2.070 13 R HA 0.140 4.479 4.340 -0.001 0.000 0.232 13 R C 2.339 178.704 176.300 0.108 0.000 1.138 13 R CA 1.669 57.836 56.100 0.111 0.000 0.936 13 R CB -0.838 29.522 30.300 0.099 0.000 0.839 13 R HN 1.265 9.535 8.270 -0.000 0.000 0.429 14 G N 0.937 109.887 108.800 0.249 0.000 2.648 14 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.357 14 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.357 14 G C 0.582 175.536 174.900 0.089 0.000 1.342 14 G CA 1.068 46.367 45.100 0.332 0.000 0.978 14 G HN 0.415 8.705 8.290 -0.000 0.000 0.532 15 R N -0.707 119.796 120.500 0.005 0.000 2.276 15 R HA 0.197 4.537 4.340 -0.001 0.000 0.196 15 R C 2.503 178.597 176.300 -0.343 0.000 0.961 15 R CA 1.008 57.017 56.100 -0.151 0.000 1.024 15 R CB -0.124 30.120 30.300 -0.095 0.000 0.940 15 R HN 0.439 8.709 8.270 -0.000 0.000 0.480 16 M N 0.976 120.164 119.600 -0.686 0.000 2.349 16 M HA -0.039 4.440 4.480 -0.001 0.000 0.266 16 M C 1.784 177.956 176.300 -0.212 0.000 1.076 16 M CA 1.518 56.464 55.300 -0.590 0.000 1.126 16 M CB 0.127 32.173 32.600 -0.923 0.000 1.392 16 M HN -0.130 8.159 8.290 -0.000 0.000 0.440 17 E N 0.344 120.508 120.200 -0.061 0.000 2.097 17 E HA -0.159 4.190 4.350 -0.001 0.000 0.196 17 E C -0.942 175.802 176.600 0.239 0.000 1.000 17 E CA 1.922 58.426 56.400 0.174 0.000 0.804 17 E CB -1.255 28.628 29.700 0.305 0.000 0.740 17 E HN 0.346 8.706 8.360 -0.000 0.000 0.454 18 P HA -0.126 4.294 4.420 -0.000 0.000 0.218 18 P C 0.959 178.263 177.300 0.006 0.000 1.148 18 P CA 1.271 64.390 63.100 0.031 0.000 0.822 18 P CB -0.011 31.659 31.700 -0.049 0.000 0.784 19 I N -1.288 119.241 120.570 -0.068 0.000 2.546 19 I HA -0.146 4.023 4.170 -0.001 0.000 0.255 19 I C 2.440 178.399 176.117 -0.263 0.000 1.163 19 I CA 1.079 62.288 61.300 -0.152 0.000 1.457 19 I CB -0.341 37.550 38.000 -0.183 0.000 1.092 19 I HN -0.134 8.076 8.210 -0.000 0.000 0.434 20 R N -0.261 120.118 120.500 -0.202 0.000 2.073 20 R HA -0.138 4.202 4.340 -0.001 0.000 0.229 20 R C 2.095 178.147 176.300 -0.414 0.000 1.120 20 R CA 1.522 57.453 56.100 -0.281 0.000 0.967 20 R CB -0.429 29.945 30.300 0.123 0.000 0.862 20 R HN 0.294 8.564 8.270 -0.000 0.000 0.436 21 W N 0.965 122.013 121.300 -0.420 0.000 2.335 21 W HA -0.176 4.484 4.660 -0.001 0.000 0.311 21 W C 2.071 178.310 176.519 -0.467 0.000 1.213 21 W CA 0.866 57.855 57.345 -0.593 0.000 1.274 21 W CB -0.514 28.822 29.460 -0.208 0.000 1.148 21 W HN 0.066 8.246 8.180 -0.000 0.000 0.498 22 L N -0.277 120.907 121.223 -0.064 0.000 2.056 22 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 22 L C 2.176 178.947 176.870 -0.164 0.000 1.078 22 L CA 1.759 56.547 54.840 -0.086 0.000 0.749 22 L CB -1.075 40.944 42.059 -0.067 0.000 0.901 22 L HN -0.036 8.194 8.230 -0.000 0.000 0.433 23 L N -0.830 120.260 121.223 -0.223 0.000 1.994 23 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 23 L C 2.668 179.440 176.870 -0.164 0.000 1.071 23 L CA 1.366 56.075 54.840 -0.218 0.000 0.745 23 L CB -0.913 40.985 42.059 -0.269 0.000 0.892 23 L HN 0.368 8.598 8.230 -0.000 0.000 0.431 24 A N -0.087 122.610 122.820 -0.205 0.000 1.883 24 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 24 A C 2.473 179.916 177.584 -0.235 0.000 1.186 24 A CA 1.911 53.794 52.037 -0.258 0.000 0.624 24 A CB -0.788 17.771 19.000 -0.735 0.000 0.822 24 A HN 0.437 8.587 8.150 -0.000 0.000 0.444 25 A N -0.485 122.189 122.820 -0.243 0.000 2.015 25 A HA 0.251 4.571 4.320 -0.001 0.000 0.219 25 A C 2.303 179.827 177.584 -0.100 0.000 1.163 25 A CA 1.704 53.670 52.037 -0.118 0.000 0.646 25 A CB -0.738 18.240 19.000 -0.036 0.000 0.806 25 A HN 1.089 9.239 8.150 -0.000 0.000 0.448 26 A N -1.480 121.250 122.820 -0.151 0.000 2.206 26 A HA 0.386 4.706 4.320 -0.001 0.000 0.211 26 A C 1.751 179.221 177.584 -0.191 0.000 1.158 26 A CA 1.193 53.120 52.037 -0.185 0.000 0.761 26 A CB -0.999 17.796 19.000 -0.342 0.000 0.801 26 A HN 1.894 10.044 8.150 -0.000 0.000 0.473 27 G N -1.238 107.469 108.800 -0.155 0.000 2.198 27 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.257 27 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.257 27 G C -0.071 174.747 174.900 -0.136 0.000 1.042 27 G CA 0.183 45.213 45.100 -0.116 0.000 0.791 27 G HN 0.839 9.129 8.290 -0.000 0.000 0.502 28 V N 0.364 120.176 119.914 -0.170 0.000 2.370 28 V HA 0.370 4.490 4.120 -0.001 0.000 0.283 28 V C 0.643 176.734 176.094 -0.004 0.000 1.023 28 V CA -0.776 61.434 62.300 -0.150 0.000 0.857 28 V CB 1.656 33.257 31.823 -0.369 0.000 0.985 28 V HN 0.429 8.619 8.190 -0.000 0.000 0.443 29 E N 4.548 124.730 120.200 -0.030 0.000 2.316 29 E HA 0.457 4.807 4.350 -0.001 0.000 0.275 29 E C -0.947 175.669 176.600 0.026 0.000 1.029 29 E CA -0.003 56.345 56.400 -0.087 0.000 0.871 29 E CB 0.857 30.506 29.700 -0.084 0.000 1.022 29 E HN 0.590 8.950 8.360 -0.000 0.000 0.418 30 F N -0.212 119.706 119.950 -0.052 0.000 2.613 30 F HA 0.553 5.080 4.527 -0.001 0.000 0.314 30 F C -0.355 175.409 175.800 -0.061 0.000 1.075 30 F CA -1.177 56.794 58.000 -0.050 0.000 0.945 30 F CB 1.072 40.041 39.000 -0.051 0.000 1.310 30 F HN 0.186 8.486 8.300 -0.000 0.000 0.467 31 E N 0.473 120.760 120.200 0.145 0.000 2.232 31 E HA 0.486 4.836 4.350 -0.001 0.000 0.264 31 E C -1.312 175.298 176.600 0.017 0.000 0.973 31 E CA -1.077 55.327 56.400 0.007 0.000 0.849 31 E CB 2.192 31.862 29.700 -0.049 0.000 1.198 31 E HN 0.654 9.014 8.360 -0.000 0.000 0.407 32 E N 1.218 121.311 120.200 -0.178 0.000 2.272 32 E HA 0.246 4.596 4.350 -0.001 0.000 0.269 32 E C -1.071 175.155 176.600 -0.622 0.000 0.877 32 E CA -0.631 55.530 56.400 -0.398 0.000 0.755 32 E CB 2.404 31.783 29.700 -0.534 0.000 1.192 32 E HN 0.131 8.491 8.360 -0.000 0.000 0.422 33 K N 3.775 123.844 120.400 -0.552 0.000 2.464 33 K HA 0.278 4.598 4.320 -0.001 0.000 0.252 33 K C -1.277 175.220 176.600 -0.173 0.000 1.000 33 K CA -0.544 55.519 56.287 -0.373 0.000 0.951 33 K CB 0.374 32.725 32.500 -0.249 0.000 1.183 33 K HN 0.257 8.507 8.250 -0.000 0.000 0.445 34 F N 4.951 124.939 119.950 0.064 0.000 2.445 34 F HA 0.259 4.785 4.527 -0.001 0.000 0.359 34 F C 0.684 176.541 175.800 0.096 0.000 1.101 34 F CA -0.768 57.288 58.000 0.093 0.000 1.177 34 F CB 0.289 39.341 39.000 0.087 0.000 1.110 34 F HN 0.303 8.603 8.300 -0.000 0.000 0.522 35 I N 3.340 124.103 120.570 0.320 0.000 2.505 35 I HA 0.120 4.290 4.170 -0.001 0.000 0.287 35 I C 1.291 177.491 176.117 0.139 0.000 1.104 35 I CA 0.489 61.897 61.300 0.180 0.000 1.387 35 I CB 0.461 38.540 38.000 0.131 0.000 1.404 35 I HN 0.868 9.078 8.210 -0.000 0.000 0.528 36 G N 4.140 112.989 108.800 0.081 0.000 2.944 36 G HA2 0.185 4.144 3.960 -0.001 0.000 0.220 36 G HA3 0.185 4.144 3.960 -0.001 0.000 0.220 36 G C 0.260 175.147 174.900 -0.021 0.000 1.100 36 G CA 0.308 45.434 45.100 0.044 0.000 0.780 36 G HN 0.618 8.908 8.290 -0.000 0.000 0.539 37 S N -1.871 113.800 115.700 -0.047 0.000 2.638 37 S HA 0.667 5.137 4.470 -0.001 0.000 0.274 37 S C 0.965 175.493 174.600 -0.120 0.000 1.157 37 S CA 0.207 58.360 58.200 -0.078 0.000 0.826 37 S CB 1.427 64.602 63.200 -0.042 0.000 1.139 37 S HN 0.502 8.812 8.310 -0.000 0.000 0.474 38 A N 0.461 123.207 122.820 -0.122 0.000 2.015 38 A HA 0.025 4.344 4.320 -0.001 0.000 0.219 38 A C 1.740 179.280 177.584 -0.073 0.000 1.163 38 A CA 1.738 53.702 52.037 -0.122 0.000 0.646 38 A CB -1.074 17.869 19.000 -0.095 0.000 0.806 38 A HN 0.845 8.995 8.150 -0.000 0.000 0.448 39 E N 0.528 120.698 120.200 -0.050 0.000 2.106 39 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 39 E C 1.470 178.060 176.600 -0.017 0.000 0.984 39 E CA 1.312 57.696 56.400 -0.027 0.000 0.806 39 E CB -0.207 29.482 29.700 -0.018 0.000 0.750 39 E HN 0.550 8.910 8.360 -0.000 0.000 0.458 40 D N -0.130 120.259 120.400 -0.017 0.000 2.097 40 D HA -0.133 4.506 4.640 -0.001 0.000 0.195 40 D C 1.860 178.165 176.300 0.008 0.000 0.989 40 D CA 0.663 54.667 54.000 0.008 0.000 0.827 40 D CB -0.274 40.542 40.800 0.026 0.000 0.966 40 D HN 0.087 8.457 8.370 -0.000 0.000 0.456 41 L N 0.673 121.881 121.223 -0.025 0.000 2.141 41 L HA 0.063 4.402 4.340 -0.001 0.000 0.209 41 L C 2.115 178.985 176.870 -0.000 0.000 1.094 41 L CA 1.727 56.559 54.840 -0.013 0.000 0.763 41 L CB -0.775 41.232 42.059 -0.086 0.000 0.908 41 L HN 0.052 8.282 8.230 -0.000 0.000 0.437 42 G N -0.742 108.049 108.800 -0.014 0.000 2.442 42 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.219 42 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.219 42 G C 1.726 176.626 174.900 0.001 0.000 1.141 42 G CA 0.896 45.994 45.100 -0.004 0.000 0.763 42 G HN 0.426 8.716 8.290 -0.000 0.000 0.554 43 K N -0.021 120.379 120.400 0.001 0.000 2.025 43 K HA 0.094 4.414 4.320 -0.001 0.000 0.207 43 K C 2.556 179.153 176.600 -0.005 0.000 1.049 43 K CA 0.618 56.905 56.287 0.000 0.000 0.933 43 K CB -0.276 32.227 32.500 0.005 0.000 0.714 43 K HN 0.320 8.570 8.250 -0.000 0.000 0.438 44 L N 0.728 121.948 121.223 -0.006 0.000 2.043 44 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 44 L C 2.685 179.547 176.870 -0.014 0.000 1.075 44 L CA 1.396 56.222 54.840 -0.024 0.000 0.752 44 L CB -0.401 41.645 42.059 -0.021 0.000 0.891 44 L HN 0.211 8.441 8.230 -0.000 0.000 0.432 45 R N -0.076 120.428 120.500 0.007 0.000 2.092 45 R HA -0.120 4.219 4.340 -0.001 0.000 0.231 45 R C 1.935 178.237 176.300 0.003 0.000 1.119 45 R CA 1.571 57.680 56.100 0.015 0.000 0.970 45 R CB -0.440 29.879 30.300 0.031 0.000 0.864 45 R HN 0.567 8.837 8.270 -0.000 0.000 0.440 46 N N 0.173 118.873 118.700 -0.000 0.000 2.270 46 N HA -0.103 4.637 4.740 -0.001 0.000 0.181 46 N C 0.729 176.233 175.510 -0.011 0.000 1.016 46 N CA 0.602 53.650 53.050 -0.004 0.000 0.870 46 N CB 0.094 38.579 38.487 -0.002 0.000 0.979 46 N HN 0.104 8.484 8.380 -0.000 0.000 0.431 47 D N -0.377 120.013 120.400 -0.017 0.000 2.347 47 D HA 0.060 4.699 4.640 -0.001 0.000 0.213 47 D C 1.264 177.545 176.300 -0.032 0.000 0.985 47 D CA 0.442 54.428 54.000 -0.024 0.000 0.879 47 D CB 0.048 40.830 40.800 -0.030 0.000 0.919 47 D HN 0.336 8.706 8.370 -0.000 0.000 0.526 48 G N 0.366 109.146 108.800 -0.034 0.000 2.136 48 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.242 48 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.242 48 G C 1.282 176.146 174.900 -0.060 0.000 0.989 48 G CA 0.651 45.724 45.100 -0.045 0.000 0.682 48 G HN 0.293 8.583 8.290 -0.000 0.000 0.522 49 S N -0.706 114.956 115.700 -0.065 0.000 2.481 49 S HA 0.238 4.707 4.470 -0.001 0.000 0.231 49 S C 0.948 175.499 174.600 -0.082 0.000 0.996 49 S CA 0.622 58.769 58.200 -0.089 0.000 0.942 49 S CB 0.034 63.157 63.200 -0.128 0.000 0.768 49 S HN 0.524 8.834 8.310 -0.000 0.000 0.520 50 L N 1.315 122.502 121.223 -0.060 0.000 2.345 50 L HA 0.417 4.756 4.340 -0.001 0.000 0.274 50 L C 0.908 177.725 176.870 -0.088 0.000 0.999 50 L CA -0.232 54.585 54.840 -0.037 0.000 0.849 50 L CB 1.196 43.270 42.059 0.025 0.000 1.220 50 L HN 0.112 8.342 8.230 -0.000 0.000 0.422 51 M N 2.276 121.765 119.600 -0.185 0.000 2.106 51 M HA -0.164 4.315 4.480 -0.001 0.000 0.259 51 M C 0.475 176.458 176.300 -0.529 0.000 1.068 51 M CA 2.394 57.434 55.300 -0.434 0.000 1.100 51 M CB 0.147 32.340 32.600 -0.679 0.000 1.351 51 M HN 0.504 8.794 8.290 -0.000 0.000 0.404 52 F N 0.208 120.174 119.950 0.027 0.000 2.708 52 F HA 0.282 4.808 4.527 -0.001 0.000 0.300 52 F C 0.676 176.505 175.800 0.047 0.000 1.118 52 F CA -0.241 57.779 58.000 0.034 0.000 1.307 52 F CB -0.150 38.870 39.000 0.033 0.000 0.986 52 F HN 0.268 8.568 8.300 -0.000 0.000 0.522 53 Q N -0.957 118.929 119.800 0.144 0.000 2.374 53 Q HA -0.251 4.089 4.340 -0.001 0.000 0.218 53 Q C -0.182 175.917 176.000 0.164 0.000 0.691 53 Q CA 0.954 56.832 55.803 0.125 0.000 1.340 53 Q CB -1.668 27.141 28.738 0.119 0.000 1.498 53 Q HN 0.540 8.810 8.270 -0.000 0.000 0.739 54 Q N 0.139 120.056 119.800 0.196 0.000 2.433 54 Q HA 0.731 5.071 4.340 -0.001 0.000 0.279 54 Q C -0.288 175.856 176.000 0.240 0.000 1.105 54 Q CA -0.594 55.347 55.803 0.230 0.000 0.815 54 Q CB 2.670 31.532 28.738 0.206 0.000 1.403 54 Q HN 0.134 8.404 8.270 -0.000 0.000 0.435 55 V N -2.363 117.743 119.914 0.320 0.000 3.096 55 V HA 0.669 4.788 4.120 -0.001 0.000 0.319 55 V C -2.560 173.750 176.094 0.360 0.000 1.103 55 V CA -2.676 59.842 62.300 0.363 0.000 1.016 55 V CB 0.700 32.832 31.823 0.515 0.000 1.090 55 V HN 0.585 8.775 8.190 -0.000 0.000 0.449 56 P HA 0.258 4.678 4.420 -0.000 0.000 0.267 56 P C -0.636 176.752 177.300 0.146 0.000 1.200 56 P CA 0.095 63.280 63.100 0.142 0.000 0.772 56 P CB 0.230 31.854 31.700 -0.128 0.000 0.855 57 M N 2.894 122.596 119.600 0.170 0.000 2.324 57 M HA 0.363 4.842 4.480 -0.001 0.000 0.288 57 M C -2.119 174.282 176.300 0.168 0.000 1.097 57 M CA -0.817 54.562 55.300 0.132 0.000 0.928 57 M CB 2.227 34.888 32.600 0.102 0.000 1.648 57 M HN -0.004 8.286 8.290 -0.000 0.000 0.460 58 V N 4.362 124.333 119.914 0.095 0.000 2.483 58 V HA 0.374 4.494 4.120 -0.001 0.000 0.297 58 V C -0.417 175.717 176.094 0.067 0.000 1.027 58 V CA -0.679 61.671 62.300 0.084 0.000 0.855 58 V CB 1.983 33.808 31.823 0.003 0.000 0.995 58 V HN 0.795 8.985 8.190 -0.000 0.000 0.424 59 E N 5.247 125.519 120.200 0.119 0.000 2.003 59 E HA 0.470 4.819 4.350 -0.001 0.000 0.279 59 E C -0.637 175.985 176.600 0.037 0.000 1.132 59 E CA 0.026 56.469 56.400 0.070 0.000 0.888 59 E CB 1.523 31.297 29.700 0.123 0.000 1.056 59 E HN 0.570 8.930 8.360 -0.000 0.000 0.399 60 I N 2.150 122.711 120.570 -0.014 0.000 2.619 60 I HA 0.140 4.309 4.170 -0.001 0.000 0.292 60 I C -0.975 175.117 176.117 -0.042 0.000 1.100 60 I CA -0.580 60.718 61.300 -0.004 0.000 1.043 60 I CB 1.537 39.544 38.000 0.011 0.000 1.239 60 I HN 0.327 8.537 8.210 -0.000 0.000 0.420 61 D N 5.849 126.264 120.400 0.025 0.000 2.692 61 D HA -0.200 4.439 4.640 -0.001 0.000 0.233 61 D C 0.993 177.287 176.300 -0.011 0.000 1.172 61 D CA 1.679 55.698 54.000 0.031 0.000 0.636 61 D CB -1.123 39.736 40.800 0.099 0.000 1.028 61 D HN 1.217 9.587 8.370 -0.000 0.000 0.419 62 G N -1.419 107.374 108.800 -0.012 0.000 2.245 62 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.264 62 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.264 62 G C 0.430 175.304 174.900 -0.043 0.000 0.985 62 G CA 0.674 45.763 45.100 -0.019 0.000 0.625 62 G HN 0.462 8.752 8.290 -0.000 0.000 0.536 63 M N 0.300 119.852 119.600 -0.079 0.000 2.314 63 M HA 0.423 4.902 4.480 -0.001 0.000 0.342 63 M C 0.284 176.537 176.300 -0.080 0.000 1.171 63 M CA -0.206 55.032 55.300 -0.103 0.000 1.098 63 M CB 1.335 33.824 32.600 -0.186 0.000 1.559 63 M HN -0.035 8.255 8.290 -0.000 0.000 0.459 64 K N 3.484 123.842 120.400 -0.070 0.000 2.290 64 K HA 0.417 4.737 4.320 -0.001 0.000 0.250 64 K C -1.065 175.498 176.600 -0.062 0.000 1.092 64 K CA -0.179 56.074 56.287 -0.057 0.000 1.006 64 K CB 0.322 32.784 32.500 -0.064 0.000 1.549 64 K HN 0.611 8.861 8.250 -0.000 0.000 0.436 65 L N 3.399 124.584 121.223 -0.064 0.000 2.319 65 L HA 0.255 4.595 4.340 -0.001 0.000 0.280 65 L C -0.116 176.751 176.870 -0.005 0.000 1.099 65 L CA -0.464 54.341 54.840 -0.059 0.000 0.828 65 L CB 1.056 43.050 42.059 -0.108 0.000 1.150 65 L HN 0.233 8.463 8.230 -0.000 0.000 0.442 66 V N 3.049 122.977 119.914 0.023 0.000 3.166 66 V HA 0.475 4.594 4.120 -0.001 0.000 0.317 66 V C -0.827 175.328 176.094 0.101 0.000 1.136 66 V CA -0.704 61.643 62.300 0.078 0.000 1.035 66 V CB 1.875 33.765 31.823 0.112 0.000 1.110 66 V HN 0.803 8.993 8.190 -0.000 0.000 0.450 67 Q N 0.382 120.249 119.800 0.111 0.000 2.476 67 Q HA -0.134 4.205 4.340 -0.001 0.000 0.256 67 Q C 0.887 176.907 176.000 0.034 0.000 1.269 67 Q CA 0.771 56.622 55.803 0.080 0.000 0.627 67 Q CB -1.406 27.394 28.738 0.104 0.000 0.751 67 Q HN 1.052 9.322 8.270 -0.000 0.000 0.317 68 T N 1.829 116.385 114.554 0.003 0.000 2.620 68 T HA -0.265 4.085 4.350 -0.001 0.000 0.267 68 T C 1.736 176.427 174.700 -0.016 0.000 1.044 68 T CA 2.035 64.118 62.100 -0.029 0.000 1.161 68 T CB -0.001 68.834 68.868 -0.055 0.000 0.862 68 T HN 0.434 8.674 8.240 -0.000 0.000 0.438 69 R N 0.556 121.054 120.500 -0.004 0.000 2.096 69 R HA -0.011 4.329 4.340 -0.001 0.000 0.235 69 R C 2.821 179.140 176.300 0.032 0.000 1.127 69 R CA 1.226 57.329 56.100 0.006 0.000 0.968 69 R CB -0.482 29.825 30.300 0.012 0.000 0.861 69 R HN 0.409 8.679 8.270 -0.000 0.000 0.440 70 A N 1.190 124.039 122.820 0.048 0.000 1.877 70 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 70 A C 2.120 179.752 177.584 0.080 0.000 1.186 70 A CA 1.354 53.434 52.037 0.071 0.000 0.620 70 A CB -0.471 18.571 19.000 0.069 0.000 0.822 70 A HN 0.195 8.345 8.150 -0.000 0.000 0.443 71 I N -0.541 120.057 120.570 0.047 0.000 2.202 71 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 71 I C 2.374 178.535 176.117 0.073 0.000 1.091 71 I CA 1.021 62.349 61.300 0.047 0.000 1.368 71 I CB -0.369 37.631 38.000 -0.000 0.000 1.058 71 I HN 0.256 8.466 8.210 -0.000 0.000 0.410 72 L N 0.543 121.777 121.223 0.019 0.000 2.083 72 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 72 L C 2.302 179.152 176.870 -0.033 0.000 1.083 72 L CA 1.175 56.003 54.840 -0.021 0.000 0.752 72 L CB -0.658 41.361 42.059 -0.067 0.000 0.899 72 L HN 0.316 8.546 8.230 -0.000 0.000 0.433 73 N N -0.724 117.983 118.700 0.011 0.000 2.142 73 N HA -0.229 4.510 4.740 -0.001 0.000 0.186 73 N C 1.681 177.283 175.510 0.154 0.000 1.023 73 N CA 1.199 54.282 53.050 0.054 0.000 0.852 73 N CB -0.390 38.202 38.487 0.175 0.000 0.998 73 N HN 0.314 8.694 8.380 -0.000 0.000 0.424 74 Y N 1.488 121.818 120.300 0.050 0.000 2.114 74 Y HA -0.060 4.490 4.550 -0.001 0.000 0.284 74 Y C 2.175 178.092 175.900 0.029 0.000 1.143 74 Y CA 1.429 59.553 58.100 0.041 0.000 1.135 74 Y CB -0.379 38.094 38.460 0.022 0.000 0.980 74 Y HN -0.048 8.232 8.280 -0.000 0.000 0.499 75 I N 0.125 120.809 120.570 0.189 0.000 2.264 75 I HA -0.352 3.817 4.170 -0.001 0.000 0.248 75 I C 2.637 178.820 176.117 0.111 0.000 1.111 75 I CA 1.261 62.675 61.300 0.190 0.000 1.382 75 I CB -0.748 37.380 38.000 0.214 0.000 1.060 75 I HN 0.348 8.558 8.210 -0.000 0.000 0.418 76 A N 0.016 122.844 122.820 0.013 0.000 1.902 76 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 76 A C 2.499 180.124 177.584 0.069 0.000 1.181 76 A CA 2.151 54.172 52.037 -0.028 0.000 0.623 76 A CB -0.686 18.122 19.000 -0.320 0.000 0.818 76 A HN 0.378 8.528 8.150 -0.000 0.000 0.443 77 S N -0.537 115.219 115.700 0.092 0.000 2.345 77 S HA -0.154 4.316 4.470 -0.001 0.000 0.220 77 S C 2.039 176.531 174.600 -0.180 0.000 1.031 77 S CA 1.569 59.778 58.200 0.015 0.000 0.996 77 S CB -0.276 62.895 63.200 -0.048 0.000 0.882 77 S HN 0.667 8.977 8.310 -0.000 0.000 0.445 78 K N 0.103 120.262 120.400 -0.401 0.000 2.063 78 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 78 K C 0.653 176.918 176.600 -0.558 0.000 1.048 78 K CA 1.416 57.328 56.287 -0.625 0.000 0.928 78 K CB -0.155 31.759 32.500 -0.976 0.000 0.713 78 K HN 0.410 8.660 8.250 -0.000 0.000 0.442 79 Y N 0.512 120.761 120.300 -0.085 0.000 2.625 79 Y HA 0.255 4.805 4.550 -0.000 0.000 0.285 79 Y C -0.351 175.525 175.900 -0.041 0.000 1.168 79 Y CA -0.218 57.851 58.100 -0.051 0.000 1.250 79 Y CB -0.336 38.101 38.460 -0.039 0.000 1.130 79 Y HN 0.204 8.484 8.280 -0.000 0.000 0.526 80 N N 0.033 118.759 118.700 0.043 0.000 2.776 80 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 80 N C -0.432 175.103 175.510 0.042 0.000 1.111 80 N CA 0.332 53.400 53.050 0.030 0.000 0.711 80 N CB -1.434 37.061 38.487 0.014 0.000 1.065 80 N HN 0.317 8.697 8.380 -0.000 0.000 0.556 81 L N -0.274 120.988 121.223 0.064 0.000 3.017 81 L HA 0.237 4.577 4.340 -0.001 0.000 0.255 81 L C -0.030 176.885 176.870 0.075 0.000 1.247 81 L CA -0.086 54.778 54.840 0.040 0.000 1.038 81 L CB 0.173 42.241 42.059 0.015 0.000 1.380 81 L HN 0.236 8.466 8.230 -0.000 0.000 0.548 82 Y N 0.976 121.258 120.300 -0.031 0.000 2.666 82 Y HA 0.511 5.061 4.550 -0.000 0.000 0.264 82 Y C 0.919 176.795 175.900 -0.039 0.000 1.054 82 Y CA -0.668 57.413 58.100 -0.033 0.000 1.121 82 Y CB 0.135 38.571 38.460 -0.040 0.000 1.190 82 Y HN 0.233 8.513 8.280 -0.000 0.000 0.587 83 G N 1.979 110.859 108.800 0.134 0.000 2.697 83 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.240 83 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.240 83 G C 0.724 175.620 174.900 -0.006 0.000 1.346 83 G CA 0.274 45.400 45.100 0.043 0.000 0.887 83 G HN 0.525 8.815 8.290 -0.000 0.000 0.569 84 K N -0.561 119.823 120.400 -0.028 0.000 2.391 84 K HA 0.455 4.775 4.320 -0.001 0.000 0.197 84 K C 0.475 177.039 176.600 -0.060 0.000 1.087 84 K CA 1.108 57.370 56.287 -0.042 0.000 1.012 84 K CB 0.555 33.036 32.500 -0.033 0.000 0.925 84 K HN 0.889 9.139 8.250 -0.000 0.000 0.547 85 D N -0.885 119.475 120.400 -0.068 0.000 2.752 85 D HA 0.082 4.722 4.640 -0.001 0.000 0.313 85 D C 0.598 176.840 176.300 -0.097 0.000 1.225 85 D CA -0.866 53.089 54.000 -0.077 0.000 0.976 85 D CB 0.218 40.987 40.800 -0.052 0.000 1.443 85 D HN -0.073 8.297 8.370 -0.000 0.000 0.515 86 I N -0.084 120.433 120.570 -0.088 0.000 2.208 86 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 86 I C 1.781 177.855 176.117 -0.072 0.000 1.097 86 I CA 1.305 62.551 61.300 -0.090 0.000 1.363 86 I CB 0.013 37.972 38.000 -0.068 0.000 1.051 86 I HN 0.324 8.534 8.210 -0.000 0.000 0.413 87 K N 0.180 120.549 120.400 -0.053 0.000 2.103 87 K HA -0.150 4.169 4.320 -0.001 0.000 0.204 87 K C 1.942 178.514 176.600 -0.046 0.000 1.052 87 K CA 1.270 57.533 56.287 -0.040 0.000 0.945 87 K CB -0.068 32.417 32.500 -0.024 0.000 0.722 87 K HN 0.453 8.703 8.250 -0.000 0.000 0.443 88 E N 0.514 120.687 120.200 -0.044 0.000 2.072 88 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 88 E C 2.077 178.653 176.600 -0.040 0.000 0.985 88 E CA 0.771 57.149 56.400 -0.037 0.000 0.801 88 E CB 0.066 29.754 29.700 -0.019 0.000 0.750 88 E HN 0.198 8.558 8.360 -0.000 0.000 0.452 89 R N 0.429 120.892 120.500 -0.062 0.000 2.096 89 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 89 R C 2.346 178.641 176.300 -0.009 0.000 1.127 89 R CA 0.989 57.057 56.100 -0.053 0.000 0.968 89 R CB -0.255 29.884 30.300 -0.268 0.000 0.861 89 R HN 0.095 8.365 8.270 -0.000 0.000 0.440 90 A N 1.316 124.105 122.820 -0.051 0.000 1.877 90 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 90 A C 2.177 179.693 177.584 -0.114 0.000 1.186 90 A CA 1.182 53.188 52.037 -0.052 0.000 0.620 90 A CB -0.546 18.426 19.000 -0.046 0.000 0.822 90 A HN 0.171 8.321 8.150 -0.000 0.000 0.443 91 L N -0.660 120.446 121.223 -0.195 0.000 2.017 91 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 91 L C 2.544 178.969 176.870 -0.742 0.000 1.073 91 L CA 1.450 55.991 54.840 -0.499 0.000 0.745 91 L CB -0.602 41.208 42.059 -0.414 0.000 0.894 91 L HN 0.375 8.605 8.230 -0.000 0.000 0.432 92 I N -0.214 120.167 120.570 -0.315 0.000 2.163 92 I HA -0.308 3.862 4.170 -0.001 0.000 0.243 92 I C 2.185 178.294 176.117 -0.013 0.000 1.085 92 I CA 1.261 62.498 61.300 -0.106 0.000 1.347 92 I CB -0.449 37.604 38.000 0.088 0.000 1.044 92 I HN 0.278 8.488 8.210 -0.000 0.000 0.408 93 D N 0.531 120.953 120.400 0.037 0.000 2.084 93 D HA -0.234 4.405 4.640 -0.001 0.000 0.194 93 D C 2.105 178.448 176.300 0.070 0.000 0.990 93 D CA 1.421 55.466 54.000 0.075 0.000 0.826 93 D CB -0.312 40.545 40.800 0.095 0.000 0.971 93 D HN 0.293 8.663 8.370 -0.000 0.000 0.453 94 M N -0.255 119.367 119.600 0.036 0.000 2.082 94 M HA -0.264 4.215 4.480 -0.001 0.000 0.258 94 M C 1.919 178.398 176.300 0.298 0.000 1.069 94 M CA 1.487 56.854 55.300 0.111 0.000 1.102 94 M CB -0.102 32.534 32.600 0.060 0.000 1.336 94 M HN -0.020 8.270 8.290 -0.000 0.000 0.404 95 Y N 0.658 121.075 120.300 0.196 0.000 2.114 95 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 95 Y C 3.052 179.089 175.900 0.229 0.000 1.143 95 Y CA 1.904 60.204 58.100 0.333 0.000 1.135 95 Y CB -2.038 36.593 38.460 0.284 0.000 0.980 95 Y HN 0.479 8.759 8.280 -0.000 0.000 0.499 96 T N -1.995 112.707 114.554 0.246 0.000 2.881 96 T HA -0.124 4.225 4.350 -0.001 0.000 0.270 96 T C 1.573 176.327 174.700 0.091 0.000 1.068 96 T CA 1.348 63.502 62.100 0.091 0.000 1.131 96 T CB -0.129 68.740 68.868 0.001 0.000 0.871 96 T HN 0.180 8.420 8.240 -0.000 0.000 0.479 97 E N 1.349 121.627 120.200 0.129 0.000 2.107 97 E HA 0.038 4.388 4.350 -0.001 0.000 0.191 97 E C 2.536 179.218 176.600 0.136 0.000 0.982 97 E CA 1.146 57.609 56.400 0.105 0.000 0.809 97 E CB -0.882 28.877 29.700 0.098 0.000 0.756 97 E HN 0.689 9.049 8.360 -0.000 0.000 0.459 98 G N 0.989 109.932 108.800 0.238 0.000 2.418 98 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 98 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 98 G C 1.708 176.709 174.900 0.167 0.000 1.158 98 G CA 0.892 46.184 45.100 0.320 0.000 0.771 98 G HN 0.159 8.449 8.290 -0.000 0.000 0.545 99 M N 0.902 120.621 119.600 0.198 0.000 2.108 99 M HA -0.014 4.466 4.480 -0.001 0.000 0.261 99 M C 3.009 179.245 176.300 -0.106 0.000 1.066 99 M CA 1.482 56.773 55.300 -0.016 0.000 1.107 99 M CB -0.233 32.306 32.600 -0.101 0.000 1.356 99 M HN 0.297 8.587 8.290 -0.000 0.000 0.406 100 A N 0.154 122.944 122.820 -0.051 0.000 1.969 100 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 100 A C 1.678 179.219 177.584 -0.071 0.000 1.169 100 A CA 1.805 53.809 52.037 -0.055 0.000 0.635 100 A CB -0.617 18.367 19.000 -0.026 0.000 0.810 100 A HN 0.382 8.532 8.150 -0.000 0.000 0.445 101 D N -0.382 119.973 120.400 -0.075 0.000 2.097 101 D HA -0.127 4.513 4.640 -0.001 0.000 0.195 101 D C 1.837 178.020 176.300 -0.195 0.000 0.989 101 D CA 1.185 55.140 54.000 -0.076 0.000 0.827 101 D CB -0.389 40.436 40.800 0.041 0.000 0.966 101 D HN 0.342 8.712 8.370 -0.000 0.000 0.456 102 L N 1.370 122.311 121.223 -0.470 0.000 2.017 102 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 102 L C 1.800 178.552 176.870 -0.197 0.000 1.073 102 L CA 1.701 56.257 54.840 -0.473 0.000 0.745 102 L CB -1.168 40.448 42.059 -0.738 0.000 0.894 102 L HN -0.061 8.169 8.230 -0.000 0.000 0.432 103 N N -0.416 118.200 118.700 -0.141 0.000 2.060 103 N HA -0.315 4.425 4.740 -0.001 0.000 0.195 103 N C 1.901 177.385 175.510 -0.043 0.000 1.028 103 N CA 1.804 54.828 53.050 -0.043 0.000 0.861 103 N CB -0.176 38.296 38.487 -0.025 0.000 1.029 103 N HN 0.493 8.873 8.380 -0.000 0.000 0.428 104 E N -0.214 119.952 120.200 -0.057 0.000 2.077 104 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 104 E C 1.976 178.551 176.600 -0.043 0.000 0.989 104 E CA 1.345 57.718 56.400 -0.046 0.000 0.800 104 E CB -0.145 29.532 29.700 -0.039 0.000 0.746 104 E HN 0.489 8.849 8.360 -0.000 0.000 0.452 105 M N -0.281 119.293 119.600 -0.044 0.000 2.065 105 M HA -0.169 4.310 4.480 -0.001 0.000 0.259 105 M C 2.255 178.535 176.300 -0.034 0.000 1.069 105 M CA 1.583 56.864 55.300 -0.031 0.000 1.110 105 M CB -0.414 32.172 32.600 -0.024 0.000 1.328 105 M HN 0.166 8.456 8.290 -0.000 0.000 0.405 106 I N 0.071 120.617 120.570 -0.040 0.000 2.226 106 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 106 I C 2.455 178.534 176.117 -0.063 0.000 1.100 106 I CA 0.834 62.108 61.300 -0.044 0.000 1.374 106 I CB -0.451 37.530 38.000 -0.032 0.000 1.057 106 I HN 0.268 8.478 8.210 -0.000 0.000 0.413 107 L N 0.857 122.041 121.223 -0.064 0.000 2.042 107 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 107 L C 1.995 178.829 176.870 -0.059 0.000 1.076 107 L CA 2.025 56.824 54.840 -0.068 0.000 0.749 107 L CB -0.355 41.672 42.059 -0.053 0.000 0.893 107 L HN 0.176 8.406 8.230 -0.000 0.000 0.432 108 L N -1.497 119.695 121.223 -0.053 0.000 2.607 108 L HA 0.042 4.382 4.340 -0.001 0.000 0.228 108 L C 2.035 178.887 176.870 -0.029 0.000 1.123 108 L CA -0.342 54.467 54.840 -0.051 0.000 0.890 108 L CB -0.206 41.822 42.059 -0.051 0.000 1.103 108 L HN 0.252 8.482 8.230 -0.000 0.000 0.468 109 L N 1.836 123.044 121.223 -0.026 0.000 2.051 109 L HA -0.157 4.182 4.340 -0.001 0.000 0.214 109 L C -0.459 176.409 176.870 -0.003 0.000 1.076 109 L CA 2.309 57.140 54.840 -0.014 0.000 0.758 109 L CB -1.235 40.814 42.059 -0.017 0.000 0.890 109 L HN 0.143 8.373 8.230 -0.000 0.000 0.433 110 P HA -0.137 4.283 4.420 -0.000 0.000 0.223 110 P C 1.759 179.079 177.300 0.034 0.000 1.144 110 P CA 1.237 64.347 63.100 0.016 0.000 0.783 110 P CB -0.034 31.679 31.700 0.022 0.000 0.771 111 L N -2.546 118.694 121.223 0.029 0.000 2.446 111 L HA 0.040 4.379 4.340 -0.001 0.000 0.219 111 L C 0.870 177.761 176.870 0.036 0.000 1.116 111 L CA -0.085 54.785 54.840 0.050 0.000 0.844 111 L CB -0.508 41.576 42.059 0.042 0.000 0.970 111 L HN -0.103 8.127 8.230 -0.000 0.000 0.457 112 C N 1.626 120.938 119.300 0.020 0.000 2.648 112 C HA 0.096 4.555 4.460 -0.001 0.000 0.419 112 C C 1.303 176.303 174.990 0.017 0.000 1.352 112 C CA -0.670 58.358 59.018 0.016 0.000 1.816 112 C CB -0.492 27.253 27.740 0.009 0.000 2.598 112 C HN 0.328 8.558 8.230 -0.000 0.000 0.598 113 R N 4.337 124.847 120.500 0.016 0.000 2.734 113 R HA 0.072 4.411 4.340 -0.001 0.000 0.266 113 R C -1.415 174.892 176.300 0.011 0.000 1.044 113 R CA -0.684 55.424 56.100 0.014 0.000 1.128 113 R CB -0.027 30.280 30.300 0.012 0.000 1.010 113 R HN 0.504 8.774 8.270 -0.000 0.000 0.461 114 P HA -0.207 4.213 4.420 -0.000 0.000 0.217 114 P C 0.265 177.569 177.300 0.007 0.000 1.151 114 P CA 1.497 64.602 63.100 0.007 0.000 0.849 114 P CB 0.215 31.919 31.700 0.006 0.000 0.787 115 E N -0.209 119.994 120.200 0.006 0.000 2.274 115 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 115 E C 1.649 178.252 176.600 0.006 0.000 0.996 115 E CA 1.027 57.430 56.400 0.006 0.000 0.840 115 E CB -0.716 28.987 29.700 0.005 0.000 0.772 115 E HN 0.585 8.945 8.360 -0.000 0.000 0.491 116 E N 0.552 120.756 120.200 0.007 0.000 2.476 116 E HA 0.094 4.444 4.350 -0.001 0.000 0.199 116 E C 1.672 178.276 176.600 0.006 0.000 1.021 116 E CA -0.051 56.353 56.400 0.006 0.000 0.907 116 E CB 0.071 29.776 29.700 0.007 0.000 0.974 116 E HN 0.040 8.400 8.360 -0.000 0.000 0.489 117 K N 1.320 121.723 120.400 0.006 0.000 2.097 117 K HA -0.140 4.180 4.320 -0.001 0.000 0.205 117 K C 1.197 177.800 176.600 0.005 0.000 1.050 117 K CA 1.763 58.054 56.287 0.006 0.000 0.938 117 K CB 0.126 32.630 32.500 0.007 0.000 0.718 117 K HN -0.049 8.201 8.250 -0.000 0.000 0.442 118 D N 0.233 120.637 120.400 0.005 0.000 2.144 118 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 118 D C 1.665 177.968 176.300 0.005 0.000 0.984 118 D CA 1.273 55.277 54.000 0.005 0.000 0.834 118 D CB -0.128 40.675 40.800 0.005 0.000 0.955 118 D HN 0.351 8.721 8.370 -0.000 0.000 0.465 119 A N 0.453 123.276 122.820 0.004 0.000 1.898 119 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 119 A C 2.081 179.667 177.584 0.004 0.000 1.181 119 A CA 1.628 53.667 52.037 0.004 0.000 0.620 119 A CB -0.352 18.650 19.000 0.004 0.000 0.819 119 A HN 0.048 8.198 8.150 -0.000 0.000 0.442 120 K N 0.280 120.682 120.400 0.004 0.000 2.026 120 K HA -0.030 4.289 4.320 -0.001 0.000 0.208 120 K C 1.616 178.217 176.600 0.002 0.000 1.048 120 K CA 1.626 57.915 56.287 0.003 0.000 0.929 120 K CB -0.609 31.893 32.500 0.002 0.000 0.713 120 K HN 0.497 8.747 8.250 -0.000 0.000 0.439 121 I N 0.334 120.905 120.570 0.002 0.000 2.163 121 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 121 I C 2.239 178.356 176.117 0.001 0.000 1.085 121 I CA 1.409 62.709 61.300 0.001 0.000 1.347 121 I CB -0.412 37.590 38.000 0.004 0.000 1.044 121 I HN 0.247 8.457 8.210 -0.000 0.000 0.408 122 A N 0.520 123.342 122.820 0.002 0.000 1.908 122 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 122 A C 2.259 179.844 177.584 0.001 0.000 1.181 122 A CA 1.748 53.786 52.037 0.002 0.000 0.627 122 A CB -0.859 18.143 19.000 0.003 0.000 0.818 122 A HN 0.405 8.555 8.150 -0.000 0.000 0.445 123 L N -0.059 121.166 121.223 0.003 0.000 2.046 123 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 123 L C 2.226 179.102 176.870 0.009 0.000 1.077 123 L CA 1.731 56.575 54.840 0.006 0.000 0.747 123 L CB -0.424 41.640 42.059 0.009 0.000 0.896 123 L HN 0.439 8.669 8.230 -0.000 0.000 0.432 124 I N -0.510 120.062 120.570 0.004 0.000 2.163 124 I HA -0.353 3.816 4.170 -0.001 0.000 0.243 124 I C 2.456 178.559 176.117 -0.024 0.000 1.085 124 I CA 1.592 62.889 61.300 -0.004 0.000 1.347 124 I CB -0.407 37.584 38.000 -0.014 0.000 1.044 124 I HN 0.262 8.472 8.210 -0.000 0.000 0.408 125 K N 0.133 120.520 120.400 -0.023 0.000 2.026 125 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 125 K C 2.190 178.772 176.600 -0.030 0.000 1.048 125 K CA 1.264 57.532 56.287 -0.033 0.000 0.929 125 K CB -0.219 32.275 32.500 -0.010 0.000 0.713 125 K HN 0.253 8.503 8.250 -0.000 0.000 0.439 126 E N 1.507 121.699 120.200 -0.013 0.000 2.051 126 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 126 E C 1.756 178.343 176.600 -0.021 0.000 0.991 126 E CA 1.383 57.777 56.400 -0.010 0.000 0.799 126 E CB 0.191 29.887 29.700 -0.006 0.000 0.748 126 E HN 0.031 8.391 8.360 -0.000 0.000 0.449 127 K N 0.143 120.538 120.400 -0.008 0.000 2.097 127 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 127 K C 2.255 178.860 176.600 0.008 0.000 1.049 127 K CA 1.364 57.651 56.287 -0.000 0.000 0.933 127 K CB -0.915 31.656 32.500 0.118 0.000 0.717 127 K HN 0.178 8.428 8.250 -0.000 0.000 0.442 128 T N 1.272 115.803 114.554 -0.037 0.000 2.708 128 T HA -0.124 4.225 4.350 -0.001 0.000 0.266 128 T C 1.948 176.472 174.700 -0.295 0.000 1.037 128 T CA 1.528 63.469 62.100 -0.265 0.000 1.146 128 T CB -0.021 68.543 68.868 -0.506 0.000 0.865 128 T HN 0.231 8.471 8.240 -0.000 0.000 0.435 129 K N 0.792 121.128 120.400 -0.107 0.000 2.167 129 K HA 0.026 4.345 4.320 -0.001 0.000 0.203 129 K C 2.542 179.219 176.600 0.129 0.000 1.052 129 K CA 1.186 57.535 56.287 0.103 0.000 0.956 129 K CB 0.104 32.683 32.500 0.132 0.000 0.735 129 K HN 0.376 8.626 8.250 -0.000 0.000 0.451 130 S N -0.814 114.890 115.700 0.007 0.000 2.506 130 S HA 0.130 4.600 4.470 -0.001 0.000 0.219 130 S C 1.767 176.302 174.600 -0.108 0.000 1.031 130 S CA -0.193 57.997 58.200 -0.016 0.000 0.911 130 S CB 0.432 63.613 63.200 -0.031 0.000 0.812 130 S HN 0.093 8.403 8.310 -0.000 0.000 0.497 131 R N -0.782 119.585 120.500 -0.221 0.000 2.191 131 R HA 0.424 4.763 4.340 -0.001 0.000 0.187 131 R C 1.426 177.420 176.300 -0.510 0.000 1.078 131 R CA 0.474 56.300 56.100 -0.456 0.000 1.139 131 R CB -0.445 29.396 30.300 -0.765 0.000 1.120 131 R HN 0.337 8.607 8.270 -0.000 0.000 0.536 132 Y N -0.734 119.486 120.300 -0.134 0.000 2.205 132 Y HA 0.104 4.654 4.550 -0.001 0.000 0.292 132 Y C 1.874 177.752 175.900 -0.037 0.000 1.119 132 Y CA 0.797 58.830 58.100 -0.113 0.000 1.117 132 Y CB -0.429 38.054 38.460 0.040 0.000 1.037 132 Y HN -0.030 8.250 8.280 -0.000 0.000 0.510 133 F N 0.238 120.075 119.950 -0.189 0.000 2.134 133 F HA -0.080 4.447 4.527 -0.001 0.000 0.299 133 F C -0.540 174.886 175.800 -0.623 0.000 1.097 133 F CA 0.486 58.137 58.000 -0.581 0.000 1.264 133 F CB -2.351 35.890 39.000 -1.265 0.000 1.001 133 F HN 0.055 8.355 8.300 -0.000 0.000 0.479 134 P HA -0.192 4.228 4.420 -0.000 0.000 0.215 134 P C 1.685 178.921 177.300 -0.108 0.000 1.157 134 P CA 2.480 65.589 63.100 0.016 0.000 0.874 134 P CB -0.204 31.521 31.700 0.042 0.000 0.790 135 A N -1.165 121.493 122.820 -0.269 0.000 1.883 135 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 135 A C 1.922 179.248 177.584 -0.429 0.000 1.186 135 A CA 1.807 53.591 52.037 -0.422 0.000 0.624 135 A CB -1.825 16.775 19.000 -0.668 0.000 0.822 135 A HN 0.104 8.254 8.150 -0.000 0.000 0.444 136 F N -0.441 119.419 119.950 -0.149 0.000 2.293 136 F HA 0.053 4.580 4.527 -0.001 0.000 0.297 136 F C 2.230 177.912 175.800 -0.197 0.000 1.089 136 F CA 1.160 59.023 58.000 -0.228 0.000 1.377 136 F CB -0.617 38.252 39.000 -0.218 0.000 1.051 136 F HN 0.293 8.593 8.300 -0.000 0.000 0.511 137 E N 1.068 121.265 120.200 -0.005 0.000 2.077 137 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 137 E C 2.187 178.775 176.600 -0.020 0.000 0.989 137 E CA 1.386 57.799 56.400 0.022 0.000 0.800 137 E CB -0.139 29.673 29.700 0.186 0.000 0.746 137 E HN 0.272 8.632 8.360 -0.000 0.000 0.452 138 K N -0.237 120.137 120.400 -0.043 0.000 2.057 138 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 138 K C 2.131 178.660 176.600 -0.119 0.000 1.049 138 K CA 1.359 57.606 56.287 -0.068 0.000 0.931 138 K CB -0.346 32.113 32.500 -0.068 0.000 0.714 138 K HN 0.174 8.424 8.250 -0.000 0.000 0.440 139 V N 1.264 121.087 119.914 -0.151 0.000 2.287 139 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 139 V C 1.987 177.814 176.094 -0.444 0.000 1.053 139 V CA 1.757 63.933 62.300 -0.206 0.000 1.027 139 V CB -0.287 31.436 31.823 -0.167 0.000 0.646 139 V HN 0.369 8.559 8.190 -0.000 0.000 0.447 140 L N -0.177 120.868 121.223 -0.296 0.000 2.042 140 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 140 L C 2.775 179.486 176.870 -0.265 0.000 1.076 140 L CA 2.211 56.883 54.840 -0.280 0.000 0.749 140 L CB -0.826 41.188 42.059 -0.075 0.000 0.893 140 L HN 0.425 8.655 8.230 -0.000 0.000 0.432 141 Q N 0.436 120.139 119.800 -0.163 0.000 2.096 141 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 141 Q C 2.377 178.307 176.000 -0.116 0.000 0.982 141 Q CA 2.404 58.148 55.803 -0.099 0.000 0.850 141 Q CB -0.326 28.379 28.738 -0.054 0.000 0.901 141 Q HN 0.591 8.861 8.270 -0.000 0.000 0.422 142 S N -0.257 115.337 115.700 -0.177 0.000 2.359 142 S HA -0.232 4.237 4.470 -0.001 0.000 0.224 142 S C 1.748 176.325 174.600 -0.038 0.000 1.035 142 S CA 1.551 59.687 58.200 -0.106 0.000 1.018 142 S CB -0.786 62.359 63.200 -0.091 0.000 0.876 142 S HN 0.799 9.109 8.310 -0.000 0.000 0.448 143 H N -0.809 118.285 119.070 0.041 0.000 2.639 143 H HA 0.517 5.073 4.556 -0.001 0.000 0.267 143 H C 1.579 176.928 175.328 0.035 0.000 0.958 143 H CA -0.009 56.065 56.048 0.043 0.000 1.221 143 H CB -0.744 29.055 29.762 0.061 0.000 1.446 143 H HN 0.598 8.878 8.280 -0.000 0.000 0.512 144 G N 0.380 109.354 108.800 0.291 0.000 2.153 144 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.252 144 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.252 144 G C -0.108 174.925 174.900 0.221 0.000 0.994 144 G CA 0.404 45.620 45.100 0.194 0.000 0.698 144 G HN 0.623 8.913 8.290 -0.000 0.000 0.521 145 Q N -0.672 119.360 119.800 0.388 0.000 2.193 145 Q HA 0.480 4.820 4.340 -0.001 0.000 0.246 145 Q C 0.237 176.296 176.000 0.098 0.000 0.959 145 Q CA -0.787 55.081 55.803 0.108 0.000 0.904 145 Q CB 0.904 29.544 28.738 -0.164 0.000 1.238 145 Q HN 0.073 8.343 8.270 -0.000 0.000 0.469 146 D N -0.350 120.043 120.400 -0.010 0.000 2.363 146 D HA 0.021 4.660 4.640 -0.001 0.000 0.220 146 D C -0.556 175.442 176.300 -0.503 0.000 0.994 146 D CA 1.083 54.936 54.000 -0.245 0.000 0.890 146 D CB 0.224 40.806 40.800 -0.364 0.000 0.906 146 D HN 0.297 8.667 8.370 -0.000 0.000 0.530 147 Y N -1.116 119.211 120.300 0.044 0.000 2.576 147 Y HA 0.295 4.845 4.550 -0.001 0.000 0.346 147 Y C 1.169 177.134 175.900 0.109 0.000 1.018 147 Y CA -0.907 57.222 58.100 0.049 0.000 1.050 147 Y CB 1.343 39.814 38.460 0.018 0.000 1.280 147 Y HN -0.382 7.898 8.280 -0.000 0.000 0.474 148 L N 0.567 121.973 121.223 0.305 0.000 2.046 148 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 148 L C -0.235 176.893 176.870 0.430 0.000 1.077 148 L CA 1.016 56.069 54.840 0.356 0.000 0.747 148 L CB -0.158 42.070 42.059 0.282 0.000 0.896 148 L HN 0.298 8.528 8.230 -0.000 0.000 0.432 149 V N -0.834 119.250 119.914 0.282 0.000 2.577 149 V HA 0.551 4.670 4.120 -0.001 0.000 0.303 149 V C 0.626 176.762 176.094 0.070 0.000 1.042 149 V CA -0.217 62.194 62.300 0.186 0.000 0.872 149 V CB 1.230 33.147 31.823 0.157 0.000 0.998 149 V HN 0.376 8.566 8.190 -0.000 0.000 0.423 150 G N 4.401 113.211 108.800 0.016 0.000 2.155 150 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.257 150 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.257 150 G C 0.556 175.435 174.900 -0.035 0.000 0.983 150 G CA 0.668 45.759 45.100 -0.015 0.000 0.676 150 G HN 1.424 9.714 8.290 -0.000 0.000 0.528 151 N N -1.280 117.398 118.700 -0.038 0.000 2.735 151 N HA -0.188 4.551 4.740 -0.001 0.000 0.248 151 N C -0.047 175.457 175.510 -0.010 0.000 1.083 151 N CA 2.347 55.408 53.050 0.019 0.000 0.703 151 N CB -0.863 37.619 38.487 -0.008 0.000 1.005 151 N HN 1.246 9.626 8.380 -0.000 0.000 0.550 152 K N -0.087 120.228 120.400 -0.142 0.000 2.543 152 K HA 0.406 4.726 4.320 -0.001 0.000 0.255 152 K C -0.864 175.376 176.600 -0.599 0.000 0.934 152 K CA -0.897 55.145 56.287 -0.407 0.000 0.810 152 K CB 0.823 33.206 32.500 -0.195 0.000 1.315 152 K HN 0.049 8.299 8.250 -0.000 0.000 0.433 153 L N 3.519 124.140 121.223 -1.003 0.000 2.640 153 L HA 0.120 4.459 4.340 -0.001 0.000 0.280 153 L C -0.685 176.077 176.870 -0.179 0.000 1.229 153 L CA 1.384 55.896 54.840 -0.547 0.000 0.919 153 L CB 0.194 42.036 42.059 -0.361 0.000 1.168 153 L HN 0.742 8.972 8.230 -0.000 0.000 0.496 154 S N 4.010 119.685 115.700 -0.041 0.000 2.661 154 S HA 0.543 5.012 4.470 -0.001 0.000 0.285 154 S C 0.824 175.424 174.600 0.000 0.000 1.138 154 S CA -0.424 57.774 58.200 -0.003 0.000 0.855 154 S CB 1.383 64.605 63.200 0.035 0.000 1.136 154 S HN 0.813 9.123 8.310 -0.000 0.000 0.484 155 R N 0.420 120.898 120.500 -0.036 0.000 2.185 155 R HA -0.124 4.215 4.340 -0.001 0.000 0.247 155 R C 1.875 178.138 176.300 -0.062 0.000 1.159 155 R CA 1.722 57.778 56.100 -0.074 0.000 0.988 155 R CB -1.210 28.990 30.300 -0.167 0.000 0.871 155 R HN 0.666 8.936 8.270 -0.000 0.000 0.458 156 A N 1.973 124.782 122.820 -0.018 0.000 1.898 156 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 156 A C 1.686 179.243 177.584 -0.044 0.000 1.181 156 A CA 1.649 53.688 52.037 0.003 0.000 0.620 156 A CB -0.372 18.715 19.000 0.144 0.000 0.819 156 A HN 0.423 8.573 8.150 -0.000 0.000 0.442 157 D N 0.142 120.554 120.400 0.020 0.000 2.117 157 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 157 D C 1.873 178.159 176.300 -0.023 0.000 0.987 157 D CA 1.125 55.140 54.000 0.024 0.000 0.829 157 D CB -0.240 40.666 40.800 0.176 0.000 0.961 157 D HN 0.327 8.697 8.370 -0.000 0.000 0.460 158 I N 0.910 121.476 120.570 -0.007 0.000 2.252 158 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 158 I C 2.625 178.642 176.117 -0.167 0.000 1.102 158 I CA 0.772 62.071 61.300 -0.003 0.000 1.385 158 I CB -1.214 36.815 38.000 0.049 0.000 1.064 158 I HN -0.079 8.131 8.210 -0.000 0.000 0.414 159 S N 0.874 116.462 115.700 -0.187 0.000 2.368 159 S HA -0.166 4.303 4.470 -0.001 0.000 0.225 159 S C 2.008 176.396 174.600 -0.353 0.000 1.030 159 S CA 1.155 59.190 58.200 -0.275 0.000 0.999 159 S CB -0.308 62.772 63.200 -0.201 0.000 0.844 159 S HN 0.308 8.618 8.310 -0.000 0.000 0.459 160 L N 1.616 122.639 121.223 -0.332 0.000 2.046 160 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 160 L C 2.292 178.958 176.870 -0.339 0.000 1.077 160 L CA 1.638 56.240 54.840 -0.396 0.000 0.747 160 L CB -0.925 40.855 42.059 -0.464 0.000 0.896 160 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 161 V N -0.300 119.441 119.914 -0.288 0.000 2.453 161 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 161 V C 2.568 178.468 176.094 -0.322 0.000 1.048 161 V CA 1.718 63.895 62.300 -0.205 0.000 1.049 161 V CB -0.577 31.247 31.823 0.001 0.000 0.672 161 V HN 0.579 8.769 8.190 -0.000 0.000 0.457 162 E N 0.072 119.760 120.200 -0.854 0.000 2.085 162 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 162 E C 2.210 178.206 176.600 -1.006 0.000 0.994 162 E CA 1.711 57.257 56.400 -1.423 0.000 0.801 162 E CB -0.128 28.394 29.700 -1.963 0.000 0.743 162 E HN 0.440 8.800 8.360 -0.000 0.000 0.453 163 L N 1.051 121.891 121.223 -0.638 0.000 2.046 163 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 163 L C 2.243 179.032 176.870 -0.135 0.000 1.077 163 L CA 1.450 56.088 54.840 -0.337 0.000 0.747 163 L CB -0.417 41.524 42.059 -0.197 0.000 0.896 163 L HN 0.216 8.446 8.230 -0.000 0.000 0.432 164 L N -2.031 119.104 121.223 -0.148 0.000 2.131 164 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 164 L C 2.395 179.213 176.870 -0.088 0.000 1.092 164 L CA 1.220 56.012 54.840 -0.080 0.000 0.759 164 L CB -0.794 41.122 42.059 -0.239 0.000 0.903 164 L HN 0.262 8.492 8.230 -0.000 0.000 0.435 165 Y N -1.452 118.787 120.300 -0.102 0.000 2.242 165 Y HA -0.213 4.337 4.550 -0.001 0.000 0.291 165 Y C 2.459 178.445 175.900 0.143 0.000 1.137 165 Y CA 1.223 59.329 58.100 0.010 0.000 1.181 165 Y CB -0.326 38.151 38.460 0.028 0.000 0.989 165 Y HN 0.050 8.330 8.280 -0.000 0.000 0.527 166 Y N -1.356 119.039 120.300 0.160 0.000 2.242 166 Y HA -0.165 4.384 4.550 -0.001 0.000 0.291 166 Y C 2.486 178.430 175.900 0.073 0.000 1.137 166 Y CA 0.289 58.447 58.100 0.097 0.000 1.181 166 Y CB -1.238 37.244 38.460 0.036 0.000 0.989 166 Y HN -0.100 8.180 8.280 -0.000 0.000 0.527 167 V N 0.196 120.248 119.914 0.231 0.000 2.295 167 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 167 V C 2.360 178.538 176.094 0.141 0.000 1.049 167 V CA 2.161 64.551 62.300 0.150 0.000 1.024 167 V CB -0.609 31.325 31.823 0.185 0.000 0.648 167 V HN 0.360 8.550 8.190 -0.000 0.000 0.447 168 E N 0.179 120.467 120.200 0.146 0.000 2.085 168 E HA -0.294 4.056 4.350 -0.001 0.000 0.194 168 E C 2.169 178.845 176.600 0.126 0.000 0.994 168 E CA 1.759 58.229 56.400 0.117 0.000 0.801 168 E CB -0.106 29.637 29.700 0.072 0.000 0.743 168 E HN 0.712 9.072 8.360 -0.000 0.000 0.453 169 E N 0.047 120.346 120.200 0.166 0.000 2.160 169 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 169 E C 2.072 178.730 176.600 0.095 0.000 0.991 169 E CA 0.949 57.434 56.400 0.142 0.000 0.810 169 E CB -0.036 29.767 29.700 0.171 0.000 0.742 169 E HN 0.220 8.580 8.360 -0.000 0.000 0.466 170 L N 0.515 121.791 121.223 0.088 0.000 2.049 170 L HA 0.016 4.355 4.340 -0.001 0.000 0.203 170 L C 0.206 177.107 176.870 0.052 0.000 1.074 170 L CA 1.359 56.233 54.840 0.057 0.000 0.749 170 L CB 0.613 42.698 42.059 0.043 0.000 0.907 170 L HN -0.094 8.136 8.230 -0.000 0.000 0.439 171 D N -1.998 118.438 120.400 0.061 0.000 2.591 171 D HA 0.103 4.742 4.640 -0.001 0.000 0.222 171 D C 0.538 176.883 176.300 0.075 0.000 1.360 171 D CA 0.622 54.656 54.000 0.057 0.000 0.967 171 D CB 1.325 42.151 40.800 0.043 0.000 1.456 171 D HN 0.176 8.546 8.370 -0.000 0.000 0.588 172 S N 1.441 117.184 115.700 0.071 0.000 2.474 172 S HA -0.134 4.335 4.470 -0.001 0.000 0.235 172 S C 1.600 176.250 174.600 0.084 0.000 0.997 172 S CA 1.225 59.470 58.200 0.075 0.000 0.949 172 S CB -0.187 63.048 63.200 0.059 0.000 0.766 172 S HN 0.363 8.673 8.310 -0.000 0.000 0.517 173 S N 1.395 117.143 115.700 0.080 0.000 2.527 173 S HA 0.236 4.705 4.470 -0.001 0.000 0.222 173 S C 1.621 176.302 174.600 0.134 0.000 0.985 173 S CA 0.036 58.287 58.200 0.085 0.000 0.921 173 S CB -0.749 62.486 63.200 0.059 0.000 0.772 173 S HN 0.500 8.810 8.310 -0.000 0.000 0.529 174 L N 0.639 121.959 121.223 0.161 0.000 2.131 174 L HA 0.119 4.458 4.340 -0.001 0.000 0.210 174 L C 2.371 179.530 176.870 0.483 0.000 1.092 174 L CA 1.194 56.168 54.840 0.224 0.000 0.759 174 L CB -0.364 41.754 42.059 0.098 0.000 0.903 174 L HN 0.368 8.598 8.230 -0.000 0.000 0.435 175 I N -0.574 120.280 120.570 0.473 0.000 3.578 175 I HA -0.153 4.017 4.170 -0.001 0.000 0.295 175 I C 2.393 178.704 176.117 0.323 0.000 1.280 175 I CA 0.455 62.055 61.300 0.499 0.000 1.347 175 I CB 0.111 38.234 38.000 0.204 0.000 1.051 175 I HN 0.309 8.519 8.210 -0.000 0.000 0.460 176 S N 0.575 116.390 115.700 0.193 0.000 2.387 176 S HA -0.220 4.249 4.470 -0.001 0.000 0.230 176 S C 1.427 176.001 174.600 -0.044 0.000 1.035 176 S CA 1.337 59.572 58.200 0.059 0.000 1.014 176 S CB -0.504 62.717 63.200 0.035 0.000 0.836 176 S HN 0.528 8.838 8.310 -0.000 0.000 0.466 177 N N 0.463 119.052 118.700 -0.185 0.000 2.327 177 N HA 0.252 4.991 4.740 -0.001 0.000 0.231 177 N C -1.330 173.665 175.510 -0.857 0.000 1.130 177 N CA 0.106 52.861 53.050 -0.492 0.000 0.845 177 N CB 0.215 38.367 38.487 -0.558 0.000 1.073 177 N HN 0.422 8.802 8.380 -0.000 0.000 0.496 178 F N 0.354 120.305 119.950 0.002 0.000 2.710 178 F HA 0.346 4.872 4.527 -0.001 0.000 0.345 178 F C -1.667 174.085 175.800 -0.080 0.000 1.362 178 F CA -1.827 56.147 58.000 -0.043 0.000 1.175 178 F CB 1.542 40.497 39.000 -0.076 0.000 1.561 178 F HN -0.127 8.173 8.300 -0.000 0.000 0.593 179 P HA -0.172 4.248 4.420 -0.000 0.000 0.215 179 P C 1.662 178.956 177.300 -0.010 0.000 1.153 179 P CA 1.509 64.607 63.100 -0.003 0.000 0.853 179 P CB 0.567 32.255 31.700 -0.020 0.000 0.788 180 L N -1.485 119.738 121.223 -0.000 0.000 2.201 180 L HA -0.079 4.261 4.340 -0.001 0.000 0.212 180 L C 2.774 179.605 176.870 -0.064 0.000 1.105 180 L CA 0.844 55.668 54.840 -0.027 0.000 0.775 180 L CB -0.780 41.268 42.059 -0.019 0.000 0.913 180 L HN -0.090 8.140 8.230 -0.000 0.000 0.440 181 L N -0.360 120.816 121.223 -0.079 0.000 2.072 181 L HA -0.168 4.172 4.340 -0.001 0.000 0.205 181 L C 2.612 179.375 176.870 -0.178 0.000 1.079 181 L CA 1.223 55.950 54.840 -0.189 0.000 0.752 181 L CB -0.395 41.441 42.059 -0.372 0.000 0.906 181 L HN 0.208 8.438 8.230 -0.000 0.000 0.436 182 K N 0.385 120.715 120.400 -0.117 0.000 2.032 182 K HA -0.190 4.129 4.320 -0.001 0.000 0.209 182 K C 2.207 178.754 176.600 -0.088 0.000 1.048 182 K CA 1.591 57.819 56.287 -0.098 0.000 0.927 182 K CB -0.376 32.093 32.500 -0.052 0.000 0.712 182 K HN 0.273 8.523 8.250 -0.000 0.000 0.441 183 A N 1.381 124.158 122.820 -0.073 0.000 1.933 183 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 183 A C 2.119 179.651 177.584 -0.087 0.000 1.175 183 A CA 1.146 53.144 52.037 -0.067 0.000 0.628 183 A CB -0.441 18.525 19.000 -0.057 0.000 0.814 183 A HN 0.246 8.396 8.150 -0.000 0.000 0.444 184 L N -0.085 121.073 121.223 -0.108 0.000 2.072 184 L HA -0.071 4.268 4.340 -0.001 0.000 0.205 184 L C 2.261 179.074 176.870 -0.095 0.000 1.079 184 L CA 2.493 57.257 54.840 -0.126 0.000 0.752 184 L CB -0.514 41.461 42.059 -0.139 0.000 0.906 184 L HN 0.435 8.665 8.230 -0.000 0.000 0.436 185 K N -1.218 119.117 120.400 -0.108 0.000 2.032 185 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 185 K C 1.816 178.411 176.600 -0.008 0.000 1.048 185 K CA 2.075 58.309 56.287 -0.089 0.000 0.927 185 K CB -0.223 32.154 32.500 -0.203 0.000 0.712 185 K HN 0.429 8.679 8.250 -0.000 0.000 0.441 186 T N 0.637 115.176 114.554 -0.026 0.000 2.674 186 T HA -0.118 4.231 4.350 -0.001 0.000 0.265 186 T C 1.921 176.636 174.700 0.025 0.000 1.039 186 T CA 1.185 63.292 62.100 0.011 0.000 1.150 186 T CB -0.222 68.641 68.868 -0.009 0.000 0.864 186 T HN 0.302 8.542 8.240 -0.000 0.000 0.427 187 R N 0.235 120.728 120.500 -0.011 0.000 2.080 187 R HA -0.085 4.254 4.340 -0.001 0.000 0.236 187 R C 2.376 178.694 176.300 0.029 0.000 1.137 187 R CA 1.355 57.443 56.100 -0.020 0.000 0.943 187 R CB -0.359 29.880 30.300 -0.103 0.000 0.846 187 R HN 0.280 8.550 8.270 -0.000 0.000 0.431 188 I N 0.385 120.984 120.570 0.047 0.000 2.226 188 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 188 I C 2.179 178.391 176.117 0.158 0.000 1.100 188 I CA 1.363 62.738 61.300 0.125 0.000 1.374 188 I CB -1.162 36.921 38.000 0.138 0.000 1.057 188 I HN 0.120 8.330 8.210 -0.000 0.000 0.413 189 S N 1.388 117.194 115.700 0.176 0.000 2.400 189 S HA -0.146 4.323 4.470 -0.001 0.000 0.232 189 S C 1.627 176.301 174.600 0.123 0.000 1.025 189 S CA 1.098 59.417 58.200 0.199 0.000 0.993 189 S CB -0.309 63.046 63.200 0.259 0.000 0.808 189 S HN 0.469 8.779 8.310 -0.000 0.000 0.478 190 N N 1.173 119.929 118.700 0.093 0.000 2.459 190 N HA 0.091 4.831 4.740 -0.001 0.000 0.181 190 N C 0.191 175.739 175.510 0.063 0.000 1.046 190 N CA 0.246 53.336 53.050 0.066 0.000 0.904 190 N CB -0.432 38.086 38.487 0.051 0.000 0.964 190 N HN 0.408 8.788 8.380 -0.000 0.000 0.444 191 L N 2.055 123.325 121.223 0.079 0.000 2.540 191 L HA 0.016 4.356 4.340 -0.001 0.000 0.276 191 L C -1.011 175.888 176.870 0.049 0.000 1.212 191 L CA -1.067 53.816 54.840 0.071 0.000 0.893 191 L CB 0.250 42.364 42.059 0.092 0.000 1.138 191 L HN -0.092 8.138 8.230 -0.000 0.000 0.491 192 P HA -0.188 4.232 4.420 -0.000 0.000 0.216 192 P C 1.547 178.853 177.300 0.009 0.000 1.150 192 P CA 1.552 64.663 63.100 0.018 0.000 0.843 192 P CB 0.024 31.731 31.700 0.011 0.000 0.787 193 T N -3.602 110.955 114.554 0.005 0.000 2.857 193 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 193 T C 1.809 176.505 174.700 -0.007 0.000 1.048 193 T CA 1.135 63.227 62.100 -0.013 0.000 1.139 193 T CB -1.403 67.445 68.868 -0.032 0.000 0.874 193 T HN -0.099 8.141 8.240 -0.000 0.000 0.455 194 V N 1.641 121.566 119.914 0.017 0.000 2.379 194 V HA -0.019 4.100 4.120 -0.001 0.000 0.245 194 V C 2.788 178.898 176.094 0.027 0.000 1.044 194 V CA 1.608 63.928 62.300 0.034 0.000 1.036 194 V CB -0.691 31.201 31.823 0.115 0.000 0.664 194 V HN 0.454 8.644 8.190 -0.000 0.000 0.453 195 K N 0.530 120.950 120.400 0.034 0.000 2.063 195 K HA -0.268 4.051 4.320 -0.001 0.000 0.208 195 K C 2.294 178.886 176.600 -0.013 0.000 1.048 195 K CA 1.913 58.211 56.287 0.018 0.000 0.928 195 K CB -0.139 32.376 32.500 0.025 0.000 0.713 195 K HN 0.400 8.650 8.250 -0.000 0.000 0.442 196 K N -0.282 120.114 120.400 -0.006 0.000 2.025 196 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 196 K C 2.003 178.587 176.600 -0.027 0.000 1.049 196 K CA 1.305 57.581 56.287 -0.018 0.000 0.933 196 K CB -0.246 32.249 32.500 -0.009 0.000 0.714 196 K HN 0.097 8.347 8.250 -0.000 0.000 0.438 197 F N 1.667 121.494 119.950 -0.205 0.000 2.216 197 F HA -0.093 4.434 4.527 -0.001 0.000 0.300 197 F C 1.502 177.099 175.800 -0.337 0.000 1.085 197 F CA 1.175 58.993 58.000 -0.303 0.000 1.326 197 F CB 0.036 38.764 39.000 -0.453 0.000 1.027 197 F HN -0.004 8.296 8.300 -0.000 0.000 0.497 198 L N -0.519 120.536 121.223 -0.280 0.000 2.554 198 L HA 0.019 4.359 4.340 -0.001 0.000 0.226 198 L C 0.864 177.596 176.870 -0.230 0.000 1.137 198 L CA 0.111 54.753 54.840 -0.330 0.000 0.863 198 L CB -0.445 41.486 42.059 -0.214 0.000 0.985 198 L HN 0.085 8.315 8.230 -0.000 0.000 0.451 199 Q N -0.060 119.631 119.800 -0.181 0.000 2.256 199 Q HA 0.267 4.607 4.340 -0.001 0.000 0.232 199 Q C -2.091 173.821 176.000 -0.147 0.000 0.965 199 Q CA -2.014 53.714 55.803 -0.124 0.000 0.908 199 Q CB 0.463 29.152 28.738 -0.081 0.000 1.209 199 Q HN -0.086 8.184 8.270 -0.000 0.000 0.489 200 P HA -0.031 4.389 4.420 -0.000 0.000 0.268 200 P C 0.239 177.482 177.300 -0.095 0.000 1.208 200 P CA 0.785 63.829 63.100 -0.094 0.000 0.777 200 P CB 0.302 31.966 31.700 -0.060 0.000 0.875 201 G N 0.410 109.157 108.800 -0.089 0.000 2.184 201 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.264 201 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.264 201 G C 0.419 175.267 174.900 -0.087 0.000 0.975 201 G CA 0.450 45.506 45.100 -0.072 0.000 0.642 201 G HN 0.856 9.146 8.290 -0.000 0.000 0.536 202 S N -0.222 115.394 115.700 -0.139 0.000 2.655 202 S HA 0.644 5.113 4.470 -0.001 0.000 0.265 202 S C -0.918 173.611 174.600 -0.119 0.000 1.240 202 S CA -0.482 57.627 58.200 -0.152 0.000 0.986 202 S CB 1.670 64.711 63.200 -0.266 0.000 0.985 202 S HN -0.003 8.307 8.310 -0.000 0.000 0.562 203 P HA 0.107 4.527 4.420 -0.000 0.000 0.242 203 P C 0.232 177.585 177.300 0.087 0.000 1.197 203 P CA 0.058 63.249 63.100 0.152 0.000 0.765 203 P CB -0.019 31.899 31.700 0.364 0.000 0.936 204 R N 1.295 121.559 120.500 -0.394 0.000 2.538 204 R HA 0.050 4.390 4.340 -0.001 0.000 0.282 204 R C -0.201 175.999 176.300 -0.166 0.000 1.009 204 R CA 0.508 56.264 56.100 -0.573 0.000 1.063 204 R CB 0.170 29.737 30.300 -1.220 0.000 0.945 204 R HN -0.059 8.211 8.270 -0.000 0.000 0.414 205 K N 5.252 125.655 120.400 0.005 0.000 2.156 205 K HA 0.442 4.761 4.320 -0.001 0.000 0.250 205 K C -2.255 174.378 176.600 0.054 0.000 0.955 205 K CA -1.815 54.496 56.287 0.039 0.000 0.855 205 K CB 1.601 34.148 32.500 0.078 0.000 1.101 205 K HN 0.435 8.685 8.250 -0.000 0.000 0.434 206 P HA 0.202 4.622 4.420 -0.000 0.000 0.274 206 P C -2.620 174.709 177.300 0.048 0.000 1.246 206 P CA -1.535 61.588 63.100 0.038 0.000 0.795 206 P CB -0.036 31.677 31.700 0.022 0.000 1.006 207 P HA 0.049 4.469 4.420 -0.000 0.000 0.266 207 P C -0.246 177.067 177.300 0.022 0.000 1.195 207 P CA 0.314 63.416 63.100 0.004 0.000 0.768 207 P CB 0.002 31.708 31.700 0.010 0.000 0.838 208 A N 2.801 125.633 122.820 0.020 0.000 2.488 208 A HA 0.338 4.657 4.320 -0.001 0.000 0.249 208 A C 0.441 178.042 177.584 0.027 0.000 1.083 208 A CA 0.067 52.130 52.037 0.045 0.000 0.768 208 A CB -0.396 18.637 19.000 0.055 0.000 1.017 208 A HN 0.626 8.776 8.150 -0.000 0.000 0.496 209 D N 1.182 121.600 120.400 0.030 0.000 2.650 209 D HA 0.591 5.230 4.640 -0.001 0.000 0.255 209 D C 1.025 177.337 176.300 0.020 0.000 1.135 209 D CA 0.015 54.028 54.000 0.021 0.000 1.099 209 D CB 0.557 41.368 40.800 0.018 0.000 1.273 209 D HN 0.383 8.753 8.370 -0.000 0.000 0.628 210 A N -0.237 122.592 122.820 0.014 0.000 1.883 210 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 210 A C 1.958 179.545 177.584 0.005 0.000 1.186 210 A CA 1.843 53.886 52.037 0.010 0.000 0.624 210 A CB -0.839 18.164 19.000 0.006 0.000 0.822 210 A HN 0.545 8.695 8.150 -0.000 0.000 0.444 211 K N -0.650 119.751 120.400 0.003 0.000 2.217 211 K HA 0.024 4.344 4.320 -0.001 0.000 0.202 211 K C 2.121 178.717 176.600 -0.007 0.000 1.051 211 K CA 0.854 57.138 56.287 -0.005 0.000 0.952 211 K CB -0.208 32.289 32.500 -0.005 0.000 0.736 211 K HN 0.435 8.685 8.250 -0.000 0.000 0.453 212 A N 1.092 123.916 122.820 0.006 0.000 1.897 212 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 212 A C 1.943 179.520 177.584 -0.011 0.000 1.181 212 A CA 0.904 52.946 52.037 0.008 0.000 0.620 212 A CB -0.375 18.655 19.000 0.049 0.000 0.821 212 A HN 0.301 8.451 8.150 -0.000 0.000 0.443 213 L N 0.189 121.424 121.223 0.020 0.000 2.093 213 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 213 L C 2.126 179.005 176.870 0.015 0.000 1.085 213 L CA 2.508 57.384 54.840 0.060 0.000 0.755 213 L CB -0.708 41.396 42.059 0.074 0.000 0.904 213 L HN 0.592 8.822 8.230 -0.000 0.000 0.435 214 E N -0.390 119.798 120.200 -0.020 0.000 2.058 214 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 214 E C 1.972 178.526 176.600 -0.077 0.000 0.997 214 E CA 1.746 58.114 56.400 -0.054 0.000 0.801 214 E CB -0.059 29.618 29.700 -0.039 0.000 0.746 214 E HN 0.663 9.023 8.360 -0.000 0.000 0.450 215 E N -0.305 119.855 120.200 -0.066 0.000 2.152 215 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 215 E C 1.908 178.437 176.600 -0.119 0.000 0.983 215 E CA 0.662 57.011 56.400 -0.085 0.000 0.818 215 E CB -0.008 29.652 29.700 -0.067 0.000 0.758 215 E HN 0.311 8.671 8.360 -0.000 0.000 0.467 216 A N 1.381 124.135 122.820 -0.109 0.000 1.930 216 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 216 A C 2.008 179.650 177.584 0.097 0.000 1.175 216 A CA 0.982 53.008 52.037 -0.020 0.000 0.627 216 A CB -0.271 18.730 19.000 0.002 0.000 0.815 216 A HN 0.059 8.209 8.150 -0.000 0.000 0.443 217 R N -0.064 120.303 120.500 -0.222 0.000 2.120 217 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 217 R C 2.015 178.141 176.300 -0.290 0.000 1.123 217 R CA 1.500 57.243 56.100 -0.595 0.000 0.975 217 R CB -0.243 29.698 30.300 -0.597 0.000 0.866 217 R HN 0.516 8.786 8.270 -0.000 0.000 0.446 218 K N 0.281 120.568 120.400 -0.187 0.000 2.097 218 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 218 K C 2.015 178.522 176.600 -0.154 0.000 1.050 218 K CA 1.165 57.364 56.287 -0.146 0.000 0.938 218 K CB -0.009 32.420 32.500 -0.118 0.000 0.718 218 K HN 0.201 8.451 8.250 -0.000 0.000 0.442 219 I N -0.612 119.834 120.570 -0.207 0.000 2.339 219 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 219 I C 1.643 177.520 176.117 -0.399 0.000 1.096 219 I CA 1.157 62.231 61.300 -0.376 0.000 1.408 219 I CB -0.016 37.606 38.000 -0.630 0.000 1.092 219 I HN -0.010 8.200 8.210 -0.000 0.000 0.423 220 F N 0.124 120.095 119.950 0.036 0.000 2.437 220 F HA 0.240 4.766 4.527 -0.001 0.000 0.288 220 F C 0.997 176.853 175.800 0.092 0.000 1.085 220 F CA -0.031 58.048 58.000 0.131 0.000 1.430 220 F CB -0.002 39.182 39.000 0.308 0.000 1.120 220 F HN -0.174 8.126 8.300 -0.000 0.000 0.556 221 R N -0.498 120.068 120.500 0.110 0.000 3.644 221 R HA -0.173 4.166 4.340 -0.001 0.000 0.308 221 R C -0.299 175.989 176.300 -0.021 0.000 1.161 221 R CA 0.310 56.375 56.100 -0.058 0.000 0.819 221 R CB -2.729 27.565 30.300 -0.010 0.000 1.363 221 R HN 0.394 8.664 8.270 -0.000 0.000 0.479 222 F N 0.000 119.991 119.950 0.068 0.000 2.286 222 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 222 F CA 0.000 58.020 58.000 0.034 0.000 1.383 222 F CB 0.000 39.008 39.000 0.014 0.000 1.145 222 F HN 0.000 8.300 8.300 -0.000 0.000 0.574