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 1t24_1_A DATA FIRST_RESID 18 DATA SEQUENCE APKAKIVLVG SGMIGGXVMA TLIVQKNLGD XVVLFDIVKN MPHGKALDTS DATA SEQUENCE HTNVMYSNCK VSGSXNTYDD LAGADVVIVT AGFTKSXKEW NRDDLLPLNN DATA SEQUENCE KIMIEIGGHI KKNCNAFIIV VTNPVDVMVQ LLHQHSGVPK NKIIGLGGVL DATA SEQUENCE DTSRLKYYIS QKLNVCPRDV NAHIVGAHGN KMVLLKRYIT VPQEFINNKX DATA SEQUENCE LISDAEXLEA IFDRTVNTAL EIVNLHASPY VAPAAAIIEM AESYLKDLKK DATA SEQUENCE VLICSTLLEG QYGHSDXIFG GTPVVLGANG VEXQVIELQL NSEEKAKFDE DATA SEQUENCE AIAETKRMKA LA 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 18 A HA 0.000 4.320 4.320 0.000 0.000 0.244 18 A C 0.000 177.585 177.584 0.001 0.000 1.274 18 A CA 0.000 52.038 52.037 0.002 0.000 0.836 18 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 19 P HA 0.573 4.993 4.420 0.000 0.000 0.281 19 P C -0.230 177.077 177.300 0.012 0.000 1.264 19 P CA -0.496 62.610 63.100 0.010 0.000 0.824 19 P CB 0.619 32.327 31.700 0.013 0.000 1.092 20 K N 0.335 120.744 120.400 0.015 0.000 2.469 20 K HA 0.351 4.672 4.320 0.001 0.000 0.274 20 K C 0.285 176.900 176.600 0.024 0.000 0.983 20 K CA -0.221 56.077 56.287 0.018 0.000 0.974 20 K CB 0.220 32.732 32.500 0.020 0.000 0.913 20 K HN 0.644 8.894 8.250 0.000 0.000 0.493 21 A N 2.866 125.704 122.820 0.030 0.000 2.425 21 A HA 0.044 4.365 4.320 0.001 0.000 0.242 21 A C -0.053 177.559 177.584 0.045 0.000 1.077 21 A CA 0.088 52.152 52.037 0.046 0.000 0.781 21 A CB 0.238 19.274 19.000 0.059 0.000 1.020 21 A HN 0.725 8.875 8.150 0.000 0.000 0.494 22 K N 1.878 122.309 120.400 0.052 0.000 2.307 22 K HA 0.601 4.921 4.320 0.001 0.000 0.263 22 K C -1.507 175.124 176.600 0.052 0.000 0.973 22 K CA -0.288 56.025 56.287 0.043 0.000 0.846 22 K CB 0.607 33.129 32.500 0.036 0.000 1.100 22 K HN 0.611 8.861 8.250 0.000 0.000 0.438 23 I N 4.834 125.431 120.570 0.044 0.000 2.382 23 I HA 0.227 4.397 4.170 0.001 0.000 0.286 23 I C -0.768 175.367 176.117 0.030 0.000 1.002 23 I CA -1.175 60.153 61.300 0.047 0.000 1.135 23 I CB 1.924 39.954 38.000 0.051 0.000 1.288 23 I HN 0.256 8.466 8.210 0.000 0.000 0.448 24 V N 7.465 127.393 119.914 0.023 0.000 2.370 24 V HA 0.332 4.453 4.120 0.001 0.000 0.279 24 V C 0.178 176.283 176.094 0.019 0.000 1.029 24 V CA -0.531 61.776 62.300 0.012 0.000 0.870 24 V CB 1.513 33.326 31.823 -0.016 0.000 0.984 24 V HN 0.485 8.675 8.190 0.000 0.000 0.451 25 L N 5.906 127.148 121.223 0.033 0.000 2.282 25 L HA 0.376 4.717 4.340 0.001 0.000 0.287 25 L C -0.193 176.729 176.870 0.086 0.000 1.075 25 L CA -0.466 54.397 54.840 0.038 0.000 0.839 25 L CB 1.048 43.119 42.059 0.021 0.000 1.219 25 L HN 0.371 8.601 8.230 0.000 0.000 0.434 26 V N 3.367 123.334 119.914 0.089 0.000 2.352 26 V HA 0.562 4.682 4.120 0.001 0.000 0.253 26 V C 0.793 176.975 176.094 0.145 0.000 1.083 26 V CA -0.113 62.300 62.300 0.188 0.000 0.993 26 V CB 0.152 32.040 31.823 0.108 0.000 1.111 26 V HN 0.997 9.187 8.190 0.000 0.000 0.490 27 G N 3.660 112.534 108.800 0.124 0.000 3.438 27 G HA2 -0.057 3.903 3.960 0.001 0.000 0.684 27 G HA3 -0.057 3.903 3.960 0.001 0.000 0.684 27 G C -0.219 174.659 174.900 -0.037 0.000 1.192 27 G CA -0.375 44.725 45.100 0.001 0.000 1.013 27 G HN 0.578 8.868 8.290 0.000 0.000 0.530 28 S N 1.321 116.963 115.700 -0.097 0.000 2.661 28 S HA 0.555 5.026 4.470 0.001 0.000 0.245 28 S C 1.347 175.877 174.600 -0.117 0.000 1.117 28 S CA 0.292 58.430 58.200 -0.104 0.000 1.091 28 S CB 0.678 63.793 63.200 -0.141 0.000 0.887 28 S HN 1.318 9.628 8.310 0.000 0.000 0.491 29 G N 1.528 110.260 108.800 -0.114 0.000 2.783 29 G HA2 0.276 4.237 3.960 0.001 0.000 0.182 29 G HA3 0.276 4.237 3.960 0.001 0.000 0.182 29 G C 1.104 175.913 174.900 -0.153 0.000 1.516 29 G CA -0.240 44.778 45.100 -0.138 0.000 1.079 29 G HN 0.194 8.484 8.290 0.000 0.000 0.573 30 M N -0.344 119.129 119.600 -0.213 0.000 2.086 30 M HA 0.047 4.527 4.480 0.001 0.000 0.261 30 M C 2.621 178.843 176.300 -0.129 0.000 1.067 30 M CA 1.189 56.279 55.300 -0.350 0.000 1.116 30 M CB -1.299 30.887 32.600 -0.690 0.000 1.348 30 M HN 0.375 8.665 8.290 0.000 0.000 0.407 31 I N -0.297 120.259 120.570 -0.022 0.000 2.252 31 I HA -0.166 4.005 4.170 0.001 0.000 0.245 31 I C 2.608 178.736 176.117 0.017 0.000 1.102 31 I CA 1.247 62.578 61.300 0.053 0.000 1.385 31 I CB -1.064 36.968 38.000 0.054 0.000 1.064 31 I HN 0.331 8.541 8.210 0.000 0.000 0.414 32 G N 0.829 109.618 108.800 -0.017 0.000 2.476 32 G HA2 -0.164 3.796 3.960 0.001 0.000 0.218 32 G HA3 -0.164 3.796 3.960 0.001 0.000 0.218 32 G C 1.099 175.985 174.900 -0.023 0.000 1.164 32 G CA 0.795 45.882 45.100 -0.022 0.000 0.768 32 G HN 0.497 8.787 8.290 0.000 0.000 0.560 36 M N 0.940 120.557 119.600 0.028 0.000 2.117 36 M HA -0.124 4.357 4.480 0.001 0.000 0.262 36 M C 2.325 178.634 176.300 0.014 0.000 1.065 36 M CA 2.520 57.833 55.300 0.021 0.000 1.114 36 M CB -0.407 32.205 32.600 0.020 0.000 1.361 36 M HN 0.508 8.798 8.290 0.000 0.000 0.408 37 A N -0.016 122.806 122.820 0.004 0.000 1.902 37 A HA -0.151 4.169 4.320 0.001 0.000 0.217 37 A C 2.181 179.764 177.584 -0.002 0.000 1.181 37 A CA 2.247 54.281 52.037 -0.005 0.000 0.623 37 A CB -1.150 17.837 19.000 -0.021 0.000 0.818 37 A HN 0.474 8.624 8.150 0.000 0.000 0.443 38 T N 0.555 115.109 114.554 0.002 0.000 2.708 38 T HA -0.105 4.245 4.350 0.001 0.000 0.266 38 T C 1.805 176.512 174.700 0.012 0.000 1.037 38 T CA 1.540 63.643 62.100 0.005 0.000 1.146 38 T CB -0.387 68.488 68.868 0.012 0.000 0.865 38 T HN 0.376 8.616 8.240 0.000 0.000 0.435 39 L N 0.074 121.307 121.223 0.016 0.000 2.093 39 L HA 0.010 4.350 4.340 0.001 0.000 0.208 39 L C 2.449 179.331 176.870 0.020 0.000 1.085 39 L CA 1.002 55.852 54.840 0.018 0.000 0.755 39 L CB -0.562 41.508 42.059 0.018 0.000 0.904 39 L HN 0.264 8.494 8.230 0.000 0.000 0.435 40 I N -0.825 119.757 120.570 0.020 0.000 2.226 40 I HA -0.264 3.907 4.170 0.001 0.000 0.245 40 I C 2.418 178.548 176.117 0.022 0.000 1.100 40 I CA 1.057 62.371 61.300 0.023 0.000 1.374 40 I CB -0.218 37.795 38.000 0.022 0.000 1.057 40 I HN 0.007 8.217 8.210 0.000 0.000 0.413 41 V N 0.180 120.104 119.914 0.016 0.000 2.358 41 V HA -0.257 3.864 4.120 0.001 0.000 0.246 41 V C 2.489 178.599 176.094 0.028 0.000 1.047 41 V CA 1.533 63.843 62.300 0.017 0.000 1.035 41 V CB -0.696 31.130 31.823 0.006 0.000 0.658 41 V HN 0.437 8.627 8.190 0.000 0.000 0.452 42 Q N 0.399 120.216 119.800 0.028 0.000 2.135 42 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 42 Q C 2.061 178.087 176.000 0.043 0.000 0.981 42 Q CA 1.569 57.395 55.803 0.038 0.000 0.856 42 Q CB -0.286 28.471 28.738 0.031 0.000 0.902 42 Q HN 0.612 8.882 8.270 0.000 0.000 0.425 43 K N 0.374 120.794 120.400 0.033 0.000 2.404 43 K HA 0.024 4.345 4.320 0.001 0.000 0.194 43 K C 0.189 176.808 176.600 0.031 0.000 1.023 43 K CA -0.067 56.239 56.287 0.030 0.000 1.094 43 K CB 0.175 32.690 32.500 0.025 0.000 0.841 43 K HN 0.078 8.328 8.250 0.000 0.000 0.523 44 N N 1.254 119.974 118.700 0.035 0.000 2.716 44 N HA -0.200 4.540 4.740 0.001 0.000 0.250 44 N C 0.095 175.621 175.510 0.027 0.000 1.033 44 N CA 0.295 53.364 53.050 0.033 0.000 0.727 44 N CB -1.192 37.318 38.487 0.038 0.000 0.950 44 N HN 0.256 8.636 8.380 0.000 0.000 0.541 45 L N -1.906 119.333 121.223 0.028 0.000 2.270 45 L HA 0.267 4.608 4.340 0.001 0.000 0.210 45 L C 1.540 178.429 176.870 0.032 0.000 1.104 45 L CA 0.862 55.719 54.840 0.029 0.000 0.804 45 L CB -0.224 41.856 42.059 0.035 0.000 0.937 45 L HN 0.516 8.746 8.230 0.000 0.000 0.450 46 G N -1.553 107.265 108.800 0.030 0.000 2.321 46 G HA2 0.073 4.034 3.960 0.001 0.000 0.298 46 G HA3 0.073 4.034 3.960 0.001 0.000 0.298 46 G C -1.735 173.180 174.900 0.026 0.000 1.385 46 G CA -0.837 44.282 45.100 0.031 0.000 0.856 46 G HN -0.212 8.078 8.290 0.000 0.000 0.584 50 V N 5.344 125.260 119.914 0.003 0.000 2.384 50 V HA 0.495 4.615 4.120 0.001 0.000 0.287 50 V C -0.177 175.919 176.094 0.003 0.000 1.020 50 V CA -0.479 61.822 62.300 0.001 0.000 0.850 50 V CB 1.697 33.531 31.823 0.017 0.000 0.987 50 V HN 0.681 8.871 8.190 0.000 0.000 0.436 51 L N 6.067 127.268 121.223 -0.037 0.000 2.302 51 L HA 0.418 4.758 4.340 0.001 0.000 0.285 51 L C -0.446 176.385 176.870 -0.066 0.000 1.090 51 L CA -0.021 54.786 54.840 -0.055 0.000 0.866 51 L CB 0.218 42.212 42.059 -0.109 0.000 1.244 51 L HN 0.594 8.824 8.230 0.000 0.000 0.435 52 F N 3.961 123.822 119.950 -0.149 0.000 2.404 52 F HA 0.528 5.055 4.527 0.001 0.000 0.339 52 F C -0.080 175.611 175.800 -0.182 0.000 1.105 52 F CA -0.050 57.842 58.000 -0.180 0.000 1.087 52 F CB 0.869 39.770 39.000 -0.165 0.000 1.143 52 F HN 0.386 8.686 8.300 0.000 0.000 0.491 53 D N 4.413 124.141 120.400 -1.121 0.000 2.639 53 D HA 0.191 4.832 4.640 0.001 0.000 0.271 53 D C 0.597 176.316 176.300 -0.969 0.000 1.254 53 D CA -0.334 53.160 54.000 -0.842 0.000 0.810 53 D CB 1.831 42.376 40.800 -0.426 0.000 1.351 53 D HN 0.631 9.001 8.370 0.000 0.000 0.427 54 I N -1.065 119.154 120.570 -0.586 0.000 2.876 54 I HA 0.141 4.311 4.170 0.001 0.000 0.264 54 I C 0.602 176.558 176.117 -0.268 0.000 1.204 54 I CA 0.084 61.145 61.300 -0.398 0.000 1.485 54 I CB 0.049 37.917 38.000 -0.220 0.000 1.103 54 I HN -0.068 8.142 8.210 0.000 0.000 0.446 55 V N 3.623 123.389 119.914 -0.247 0.000 2.585 55 V HA 0.052 4.173 4.120 0.001 0.000 0.296 55 V C 0.612 176.622 176.094 -0.140 0.000 1.035 55 V CA -0.151 62.050 62.300 -0.166 0.000 1.084 55 V CB 0.341 32.073 31.823 -0.151 0.000 0.953 55 V HN 0.285 8.475 8.190 0.000 0.000 0.483 56 K N 4.610 124.957 120.400 -0.088 0.000 2.295 56 K HA 0.213 4.533 4.320 0.001 0.000 0.270 56 K C 0.786 177.379 176.600 -0.012 0.000 1.011 56 K CA -0.187 56.073 56.287 -0.045 0.000 0.953 56 K CB 0.255 32.728 32.500 -0.044 0.000 0.956 56 K HN 0.784 9.034 8.250 0.000 0.000 0.477 57 N N 0.259 118.996 118.700 0.062 0.000 2.292 57 N HA -0.313 4.427 4.740 0.001 0.000 0.219 57 N C 1.124 176.689 175.510 0.092 0.000 1.011 57 N CA 2.030 55.129 53.050 0.082 0.000 2.776 57 N CB -0.980 37.505 38.487 -0.003 0.000 0.819 57 N HN 0.652 9.032 8.380 0.000 0.000 0.457 58 M N 1.660 121.262 119.600 0.004 0.000 2.073 58 M HA -0.087 4.393 4.480 0.001 0.000 0.258 58 M C -1.063 175.195 176.300 -0.069 0.000 1.070 58 M CA 2.622 57.897 55.300 -0.042 0.000 1.103 58 M CB -1.767 30.786 32.600 -0.078 0.000 1.321 58 M HN 0.123 8.413 8.290 0.000 0.000 0.405 59 P HA -0.116 4.304 4.420 0.000 0.000 0.218 59 P C 0.867 178.016 177.300 -0.253 0.000 1.149 59 P CA 1.738 64.698 63.100 -0.232 0.000 0.817 59 P CB -0.583 30.902 31.700 -0.358 0.000 0.785 60 H N -0.618 118.405 119.070 -0.079 0.000 2.389 60 H HA -0.008 4.549 4.556 0.001 0.000 0.299 60 H C 2.319 177.612 175.328 -0.058 0.000 1.081 60 H CA 1.881 57.892 56.048 -0.062 0.000 1.345 60 H CB -1.030 28.700 29.762 -0.054 0.000 1.393 60 H HN 0.166 8.446 8.280 0.000 0.000 0.520 61 G N 0.781 109.612 108.800 0.051 0.000 2.404 61 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 61 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 61 G C 1.455 176.336 174.900 -0.031 0.000 1.174 61 G CA 0.523 45.629 45.100 0.010 0.000 0.780 61 G HN 0.308 8.598 8.290 0.000 0.000 0.537 62 K N 0.665 121.032 120.400 -0.054 0.000 2.057 62 K HA 0.025 4.345 4.320 0.001 0.000 0.207 62 K C 2.939 179.487 176.600 -0.087 0.000 1.049 62 K CA 0.991 57.236 56.287 -0.070 0.000 0.931 62 K CB -0.233 32.219 32.500 -0.080 0.000 0.714 62 K HN 0.261 8.511 8.250 0.000 0.000 0.440 63 A N 1.591 124.353 122.820 -0.095 0.000 1.877 63 A HA -0.179 4.142 4.320 0.001 0.000 0.216 63 A C 2.130 179.633 177.584 -0.134 0.000 1.186 63 A CA 1.251 53.227 52.037 -0.103 0.000 0.620 63 A CB -0.592 18.348 19.000 -0.100 0.000 0.822 63 A HN 0.211 8.361 8.150 0.000 0.000 0.443 64 L N 0.311 121.461 121.223 -0.122 0.000 1.994 64 L HA -0.177 4.163 4.340 0.001 0.000 0.208 64 L C 2.079 178.668 176.870 -0.468 0.000 1.071 64 L CA 2.765 57.481 54.840 -0.206 0.000 0.745 64 L CB -0.796 41.228 42.059 -0.058 0.000 0.892 64 L HN 0.490 8.720 8.230 0.000 0.000 0.431 65 D N -1.336 118.920 120.400 -0.240 0.000 2.106 65 D HA -0.214 4.426 4.640 0.001 0.000 0.191 65 D C 1.914 178.073 176.300 -0.234 0.000 0.997 65 D CA 2.058 55.953 54.000 -0.175 0.000 0.834 65 D CB -0.149 40.621 40.800 -0.049 0.000 0.956 65 D HN 0.412 8.782 8.370 0.000 0.000 0.448 66 T N -0.652 113.795 114.554 -0.178 0.000 2.821 66 T HA -0.146 4.205 4.350 0.001 0.000 0.267 66 T C 2.041 176.653 174.700 -0.148 0.000 1.046 66 T CA 1.773 63.801 62.100 -0.121 0.000 1.139 66 T CB -0.490 68.328 68.868 -0.082 0.000 0.871 66 T HN 0.317 8.557 8.240 0.000 0.000 0.454 67 S N 1.674 117.229 115.700 -0.242 0.000 2.400 67 S HA -0.227 4.243 4.470 0.001 0.000 0.232 67 S C 1.671 176.205 174.600 -0.109 0.000 1.025 67 S CA 1.343 59.434 58.200 -0.181 0.000 0.993 67 S CB -0.851 62.241 63.200 -0.181 0.000 0.808 67 S HN 0.743 9.053 8.310 0.000 0.000 0.478 68 H N 1.633 120.695 119.070 -0.013 0.000 2.491 68 H HA 0.003 4.560 4.556 0.001 0.000 0.290 68 H C 2.559 177.870 175.328 -0.029 0.000 1.050 68 H CA 1.278 57.314 56.048 -0.020 0.000 1.309 68 H CB -0.377 29.374 29.762 -0.019 0.000 1.392 68 H HN 0.730 9.010 8.280 0.000 0.000 0.554 69 T N -1.344 113.242 114.554 0.053 0.000 3.051 69 T HA -0.112 4.239 4.350 0.001 0.000 0.269 69 T C 1.731 176.429 174.700 -0.004 0.000 1.127 69 T CA 0.647 62.757 62.100 0.017 0.000 1.107 69 T CB -0.119 68.752 68.868 0.005 0.000 0.898 69 T HN 0.347 8.587 8.240 0.000 0.000 0.517 70 N N 1.229 119.932 118.700 0.003 0.000 2.149 70 N HA -0.090 4.651 4.740 0.001 0.000 0.188 70 N C 1.832 177.319 175.510 -0.039 0.000 1.019 70 N CA 1.323 54.371 53.050 -0.003 0.000 0.857 70 N CB -0.338 38.155 38.487 0.010 0.000 0.997 70 N HN 0.355 8.735 8.380 0.000 0.000 0.426 71 V N 1.410 121.295 119.914 -0.048 0.000 2.270 71 V HA -0.169 3.952 4.120 0.001 0.000 0.245 71 V C 1.681 177.628 176.094 -0.245 0.000 1.043 71 V CA 1.268 63.501 62.300 -0.112 0.000 1.014 71 V CB -0.377 31.403 31.823 -0.073 0.000 0.645 71 V HN 0.203 8.393 8.190 0.000 0.000 0.447 72 M N -0.085 119.405 119.600 -0.183 0.000 2.834 72 M HA 0.010 4.491 4.480 0.001 0.000 0.208 72 M C -0.410 175.730 176.300 -0.266 0.000 1.062 72 M CA 1.184 56.351 55.300 -0.222 0.000 1.049 72 M CB -0.935 31.611 32.600 -0.090 0.000 1.768 72 M HN 0.473 8.763 8.290 0.000 0.000 0.506 73 Y N -3.263 117.044 120.300 0.013 0.000 3.256 73 Y HA 0.298 4.849 4.550 0.001 0.000 0.220 73 Y C 0.273 176.179 175.900 0.010 0.000 0.896 73 Y CA -0.750 57.356 58.100 0.011 0.000 1.167 73 Y CB -0.314 38.151 38.460 0.008 0.000 1.267 73 Y HN -0.078 8.202 8.280 0.000 0.000 0.687 74 S N 0.696 116.457 115.700 0.102 0.000 2.739 74 S HA 0.514 4.984 4.470 0.001 0.000 0.306 74 S C -0.337 174.292 174.600 0.047 0.000 1.115 74 S CA -0.745 57.498 58.200 0.073 0.000 0.985 74 S CB 1.498 64.731 63.200 0.054 0.000 1.133 74 S HN 0.337 8.647 8.310 0.000 0.000 0.541 75 N N 0.602 119.325 118.700 0.038 0.000 2.673 75 N HA 0.296 5.037 4.740 0.001 0.000 0.265 75 N C -1.902 173.622 175.510 0.023 0.000 1.709 75 N CA -0.137 52.930 53.050 0.029 0.000 0.792 75 N CB 0.059 38.564 38.487 0.030 0.000 1.286 75 N HN 0.452 8.832 8.380 0.000 0.000 0.506 76 C N 1.520 120.831 119.300 0.019 0.000 2.298 76 C HA 0.471 4.931 4.460 0.001 0.000 0.323 76 C C 0.372 175.367 174.990 0.007 0.000 1.284 76 C CA -1.051 57.975 59.018 0.014 0.000 1.577 76 C CB 0.392 28.140 27.740 0.014 0.000 2.249 76 C HN 0.367 8.597 8.230 0.000 0.000 0.497 77 K N 1.764 122.169 120.400 0.008 0.000 2.382 77 K HA 0.456 4.777 4.320 0.001 0.000 0.275 77 K C -0.701 175.895 176.600 -0.007 0.000 1.009 77 K CA -0.005 56.283 56.287 0.002 0.000 0.970 77 K CB 0.565 33.070 32.500 0.008 0.000 0.934 77 K HN 0.480 8.730 8.250 0.000 0.000 0.479 78 V N 2.219 122.121 119.914 -0.020 0.000 2.447 78 V HA 0.230 4.351 4.120 0.001 0.000 0.292 78 V C -0.550 175.521 176.094 -0.038 0.000 1.021 78 V CA -0.811 61.468 62.300 -0.034 0.000 0.850 78 V CB 1.281 33.072 31.823 -0.054 0.000 1.005 78 V HN 0.923 9.113 8.190 0.000 0.000 0.426 79 S N 3.025 118.704 115.700 -0.036 0.000 2.542 79 S HA 0.909 5.379 4.470 0.001 0.000 0.293 79 S C -0.028 174.512 174.600 -0.099 0.000 1.089 79 S CA -0.351 57.827 58.200 -0.036 0.000 0.961 79 S CB 2.105 65.303 63.200 -0.003 0.000 1.062 79 S HN 1.050 9.360 8.310 0.000 0.000 0.483 80 G N 0.169 108.853 108.800 -0.193 0.000 2.451 80 G HA2 0.627 4.587 3.960 0.001 0.000 0.303 80 G HA3 0.627 4.587 3.960 0.001 0.000 0.303 80 G C -0.515 174.091 174.900 -0.491 0.000 1.166 80 G CA -0.507 44.288 45.100 -0.508 0.000 0.884 80 G HN 1.041 9.331 8.290 0.000 0.000 0.514 84 T N 0.059 114.734 114.554 0.200 0.000 2.809 84 T HA 0.226 4.577 4.350 0.001 0.000 0.296 84 T C 0.515 175.280 174.700 0.107 0.000 1.015 84 T CA -0.340 61.854 62.100 0.157 0.000 0.954 84 T CB 0.874 69.797 68.868 0.092 0.000 0.950 84 T HN 0.115 8.355 8.240 0.000 0.000 0.450 85 Y N 1.662 121.933 120.300 -0.048 0.000 2.256 85 Y HA -0.197 4.354 4.550 0.001 0.000 0.288 85 Y C 1.927 177.629 175.900 -0.330 0.000 1.155 85 Y CA 1.097 58.902 58.100 -0.492 0.000 1.203 85 Y CB -0.042 37.883 38.460 -0.892 0.000 0.980 85 Y HN 0.616 8.896 8.280 0.000 0.000 0.530 86 D N -0.389 120.010 120.400 -0.002 0.000 2.351 86 D HA -0.153 4.488 4.640 0.001 0.000 0.216 86 D C 1.214 177.508 176.300 -0.011 0.000 0.968 86 D CA 1.086 55.091 54.000 0.008 0.000 0.899 86 D CB -0.313 40.507 40.800 0.033 0.000 0.907 86 D HN 0.325 8.695 8.370 0.000 0.000 0.514 87 D N -0.105 120.278 120.400 -0.029 0.000 2.378 87 D HA -0.054 4.587 4.640 0.001 0.000 0.222 87 D C 1.865 178.137 176.300 -0.046 0.000 0.980 87 D CA 0.199 54.186 54.000 -0.021 0.000 0.907 87 D CB 0.010 40.815 40.800 0.008 0.000 0.899 87 D HN 0.316 8.686 8.370 0.000 0.000 0.527 88 L N 0.570 121.744 121.223 -0.081 0.000 2.275 88 L HA -0.037 4.303 4.340 0.001 0.000 0.215 88 L C 1.212 178.072 176.870 -0.018 0.000 1.119 88 L CA 0.032 54.834 54.840 -0.063 0.000 0.790 88 L CB -0.294 41.723 42.059 -0.071 0.000 0.919 88 L HN -0.091 8.139 8.230 0.000 0.000 0.443 89 A N -0.061 122.756 122.820 -0.006 0.000 2.546 89 A HA 0.346 4.666 4.320 0.001 0.000 0.243 89 A C 1.429 179.021 177.584 0.013 0.000 1.063 89 A CA 0.648 52.690 52.037 0.009 0.000 0.757 89 A CB -0.278 18.730 19.000 0.014 0.000 0.991 89 A HN 0.576 8.726 8.150 0.000 0.000 0.503 90 G N 0.772 109.584 108.800 0.020 0.000 2.199 90 G HA2 0.129 4.089 3.960 0.001 0.000 0.254 90 G HA3 0.129 4.089 3.960 0.001 0.000 0.254 90 G C 0.648 175.568 174.900 0.032 0.000 0.982 90 G CA 0.477 45.592 45.100 0.026 0.000 0.632 90 G HN 2.275 10.565 8.290 0.000 0.000 0.529 91 A N 0.230 123.067 122.820 0.028 0.000 2.511 91 A HA 0.504 4.825 4.320 0.001 0.000 0.242 91 A C 1.150 178.771 177.584 0.061 0.000 1.069 91 A CA 1.031 53.089 52.037 0.035 0.000 0.763 91 A CB 0.269 19.279 19.000 0.017 0.000 1.001 91 A HN 0.258 8.408 8.150 0.000 0.000 0.498 92 D N 0.701 121.152 120.400 0.084 0.000 2.323 92 D HA 0.134 4.774 4.640 0.001 0.000 0.218 92 D C -0.101 176.297 176.300 0.164 0.000 0.973 92 D CA 1.195 55.277 54.000 0.138 0.000 0.890 92 D CB 0.497 41.388 40.800 0.152 0.000 1.011 92 D HN 0.269 8.639 8.370 0.000 0.000 0.499 93 V N 1.413 121.400 119.914 0.121 0.000 2.686 93 V HA 0.320 4.440 4.120 0.001 0.000 0.306 93 V C -0.424 175.696 176.094 0.044 0.000 1.065 93 V CA -0.769 61.591 62.300 0.101 0.000 0.894 93 V CB 2.909 34.821 31.823 0.148 0.000 1.004 93 V HN -0.254 7.936 8.190 0.000 0.000 0.424 94 V N 5.960 125.873 119.914 -0.002 0.000 2.444 94 V HA 0.556 4.676 4.120 0.001 0.000 0.294 94 V C -0.442 175.629 176.094 -0.039 0.000 1.022 94 V CA -0.385 61.902 62.300 -0.022 0.000 0.850 94 V CB 1.801 33.600 31.823 -0.039 0.000 0.992 94 V HN 0.700 8.890 8.190 0.000 0.000 0.426 95 I N 5.089 125.650 120.570 -0.014 0.000 2.355 95 I HA 0.429 4.599 4.170 0.001 0.000 0.288 95 I C -0.531 175.583 176.117 -0.006 0.000 0.999 95 I CA -0.749 60.541 61.300 -0.016 0.000 1.163 95 I CB 1.990 39.992 38.000 0.005 0.000 1.316 95 I HN 0.276 8.486 8.210 0.000 0.000 0.454 96 V N 5.309 125.213 119.914 -0.017 0.000 2.333 96 V HA 0.210 4.330 4.120 0.001 0.000 0.274 96 V C 0.942 177.039 176.094 0.006 0.000 1.028 96 V CA -0.185 62.117 62.300 0.004 0.000 0.851 96 V CB 1.000 32.821 31.823 -0.004 0.000 1.000 96 V HN 0.926 9.116 8.190 0.000 0.000 0.456 97 T N 0.976 115.540 114.554 0.017 0.000 3.040 97 T HA 0.354 4.704 4.350 0.001 0.000 0.266 97 T C 0.813 175.517 174.700 0.007 0.000 1.005 97 T CA 0.435 62.542 62.100 0.011 0.000 0.906 97 T CB 0.413 69.284 68.868 0.005 0.000 1.082 97 T HN 0.737 8.977 8.240 0.000 0.000 0.531 98 A N 0.811 123.643 122.820 0.020 0.000 2.567 98 A HA 0.594 4.915 4.320 0.001 0.000 0.240 98 A C 1.098 178.679 177.584 -0.005 0.000 1.053 98 A CA 0.626 52.666 52.037 0.006 0.000 0.755 98 A CB -0.915 18.126 19.000 0.069 0.000 0.978 98 A HN 1.555 9.705 8.150 0.000 0.000 0.507 99 G N 0.661 109.412 108.800 -0.081 0.000 2.346 99 G HA2 0.360 4.320 3.960 0.001 0.000 0.294 99 G HA3 0.360 4.320 3.960 0.001 0.000 0.294 99 G C -0.828 173.966 174.900 -0.177 0.000 1.294 99 G CA -0.894 44.171 45.100 -0.059 0.000 0.962 99 G HN 0.710 9.000 8.290 0.000 0.000 0.508 100 F N 0.429 120.396 119.950 0.028 0.000 2.399 100 F HA 0.561 5.090 4.527 0.002 0.000 0.328 100 F C 1.923 177.765 175.800 0.070 0.000 1.084 100 F CA 0.438 58.460 58.000 0.037 0.000 1.053 100 F CB 2.182 41.200 39.000 0.030 0.000 1.209 100 F HN 0.612 8.912 8.300 0.000 0.000 0.502 101 T N -2.509 112.204 114.554 0.264 0.000 3.014 101 T HA 0.222 4.572 4.350 0.001 0.000 0.250 101 T C 0.227 175.159 174.700 0.387 0.000 1.060 101 T CA 0.078 62.340 62.100 0.269 0.000 1.040 101 T CB -0.075 68.889 68.868 0.161 0.000 0.971 101 T HN 0.640 8.880 8.240 0.000 0.000 0.497 102 K N 0.898 121.487 120.400 0.314 0.000 2.234 102 K HA 0.593 4.913 4.320 0.001 0.000 0.263 102 K C -0.084 176.608 176.600 0.153 0.000 1.006 102 K CA -0.514 55.946 56.287 0.288 0.000 0.854 102 K CB 0.545 33.214 32.500 0.282 0.000 1.497 102 K HN 0.060 8.310 8.250 0.000 0.000 0.417 106 E N -0.149 120.118 120.200 0.111 0.000 2.444 106 E HA 0.055 4.406 4.350 0.001 0.000 0.191 106 E C -0.607 176.061 176.600 0.112 0.000 1.041 106 E CA -0.485 55.967 56.400 0.085 0.000 0.883 106 E CB 0.193 29.920 29.700 0.045 0.000 1.024 106 E HN 0.168 8.528 8.360 0.000 0.000 0.470 107 W N 2.896 124.195 121.300 -0.001 0.000 2.385 107 W HA -0.011 4.649 4.660 0.001 0.000 0.336 107 W C -0.011 176.504 176.519 -0.006 0.000 1.351 107 W CA 0.682 58.027 57.345 -0.000 0.000 1.295 107 W CB 0.330 29.793 29.460 0.005 0.000 1.239 107 W HN -0.123 8.057 8.180 0.000 0.000 0.565 108 N N 5.106 123.326 118.700 -0.799 0.000 2.455 108 N HA 0.172 4.912 4.740 0.001 0.000 0.285 108 N C 0.644 175.599 175.510 -0.924 0.000 1.080 108 N CA -0.562 52.014 53.050 -0.791 0.000 0.932 108 N CB 1.173 39.450 38.487 -0.350 0.000 1.610 108 N HN 0.637 9.017 8.380 0.000 0.000 0.493 109 R N 1.110 121.033 120.500 -0.962 0.000 2.139 109 R HA -0.130 4.211 4.340 0.001 0.000 0.243 109 R C 0.425 176.536 176.300 -0.315 0.000 1.145 109 R CA 1.618 57.374 56.100 -0.572 0.000 0.976 109 R CB 0.062 30.142 30.300 -0.367 0.000 0.866 109 R HN 0.555 8.825 8.270 0.000 0.000 0.449 110 D N 0.658 120.891 120.400 -0.278 0.000 2.182 110 D HA -0.149 4.492 4.640 0.001 0.000 0.201 110 D C 1.110 177.317 176.300 -0.154 0.000 0.986 110 D CA 1.151 55.045 54.000 -0.177 0.000 0.847 110 D CB -0.286 40.422 40.800 -0.152 0.000 0.942 110 D HN 0.190 8.560 8.370 0.000 0.000 0.467 111 D N -0.146 120.141 120.400 -0.189 0.000 2.348 111 D HA -0.018 4.622 4.640 0.001 0.000 0.216 111 D C 1.935 178.164 176.300 -0.118 0.000 0.970 111 D CA 0.131 54.044 54.000 -0.145 0.000 0.889 111 D CB 0.065 40.773 40.800 -0.153 0.000 0.912 111 D HN 0.300 8.670 8.370 0.000 0.000 0.524 112 L N 0.126 121.283 121.223 -0.110 0.000 2.492 112 L HA -0.012 4.329 4.340 0.001 0.000 0.223 112 L C 2.127 178.975 176.870 -0.038 0.000 1.132 112 L CA -0.110 54.702 54.840 -0.047 0.000 0.850 112 L CB -0.130 41.931 42.059 0.003 0.000 0.966 112 L HN 0.026 8.256 8.230 0.000 0.000 0.454 113 L N 1.939 123.127 121.223 -0.058 0.000 1.971 113 L HA -0.131 4.209 4.340 0.001 0.000 0.215 113 L C -0.457 176.388 176.870 -0.042 0.000 1.072 113 L CA 2.338 57.151 54.840 -0.045 0.000 0.758 113 L CB -1.412 40.615 42.059 -0.053 0.000 0.889 113 L HN 0.126 8.356 8.230 0.000 0.000 0.433 114 P HA -0.096 4.324 4.420 0.000 0.000 0.226 114 P C 1.932 179.187 177.300 -0.075 0.000 1.153 114 P CA 1.326 64.388 63.100 -0.063 0.000 0.777 114 P CB -0.006 31.650 31.700 -0.074 0.000 0.794 115 L N -1.088 120.078 121.223 -0.095 0.000 2.249 115 L HA 0.068 4.409 4.340 0.001 0.000 0.207 115 L C 1.795 178.697 176.870 0.054 0.000 1.090 115 L CA 0.976 55.730 54.840 -0.144 0.000 0.802 115 L CB -0.528 41.332 42.059 -0.331 0.000 0.947 115 L HN -0.062 8.168 8.230 0.000 0.000 0.453 116 N N -0.102 118.642 118.700 0.074 0.000 2.322 116 N HA -0.042 4.698 4.740 0.001 0.000 0.181 116 N C 1.399 176.939 175.510 0.049 0.000 1.088 116 N CA 0.602 53.720 53.050 0.113 0.000 0.885 116 N CB -0.150 38.403 38.487 0.110 0.000 1.013 116 N HN 0.471 8.851 8.380 0.000 0.000 0.472 117 N N 2.092 120.799 118.700 0.013 0.000 2.069 117 N HA -0.263 4.478 4.740 0.001 0.000 0.191 117 N C 1.525 177.015 175.510 -0.033 0.000 1.031 117 N CA 1.553 54.594 53.050 -0.015 0.000 0.852 117 N CB -0.220 38.253 38.487 -0.024 0.000 1.018 117 N HN 0.212 8.592 8.380 0.000 0.000 0.423 118 K N 0.644 121.033 120.400 -0.019 0.000 2.147 118 K HA -0.044 4.277 4.320 0.001 0.000 0.205 118 K C 1.952 178.542 176.600 -0.016 0.000 1.049 118 K CA 1.414 57.681 56.287 -0.033 0.000 0.936 118 K CB -0.391 32.105 32.500 -0.006 0.000 0.722 118 K HN 0.314 8.564 8.250 0.000 0.000 0.446 119 I N 0.752 121.343 120.570 0.036 0.000 2.226 119 I HA -0.225 3.946 4.170 0.001 0.000 0.245 119 I C 2.366 178.503 176.117 0.034 0.000 1.100 119 I CA 1.015 62.356 61.300 0.069 0.000 1.374 119 I CB -0.310 37.754 38.000 0.107 0.000 1.057 119 I HN 0.206 8.416 8.210 0.000 0.000 0.413 120 M N 0.150 119.748 119.600 -0.003 0.000 2.117 120 M HA -0.150 4.330 4.480 0.001 0.000 0.262 120 M C 2.443 178.688 176.300 -0.093 0.000 1.065 120 M CA 1.844 57.127 55.300 -0.029 0.000 1.114 120 M CB -0.903 31.676 32.600 -0.034 0.000 1.361 120 M HN 0.222 8.512 8.290 0.000 0.000 0.408 121 I N -0.175 120.281 120.570 -0.189 0.000 2.179 121 I HA -0.299 3.871 4.170 0.001 0.000 0.242 121 I C 2.503 178.467 176.117 -0.254 0.000 1.088 121 I CA 1.417 62.476 61.300 -0.400 0.000 1.357 121 I CB -0.490 37.186 38.000 -0.540 0.000 1.051 121 I HN 0.388 8.598 8.210 0.000 0.000 0.409 122 E N 1.580 121.685 120.200 -0.159 0.000 2.058 122 E HA -0.233 4.117 4.350 0.001 0.000 0.194 122 E C 2.294 178.796 176.600 -0.163 0.000 0.997 122 E CA 1.478 57.788 56.400 -0.149 0.000 0.801 122 E CB -0.049 29.638 29.700 -0.021 0.000 0.746 122 E HN 0.438 8.798 8.360 0.000 0.000 0.450 123 I N 0.587 121.134 120.570 -0.039 0.000 2.286 123 I HA -0.170 4.000 4.170 0.001 0.000 0.248 123 I C 2.508 178.594 176.117 -0.051 0.000 1.115 123 I CA 1.024 62.330 61.300 0.009 0.000 1.392 123 I CB -0.542 37.515 38.000 0.094 0.000 1.065 123 I HN 0.275 8.485 8.210 0.000 0.000 0.418 124 G N 0.690 109.454 108.800 -0.060 0.000 2.476 124 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 124 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 124 G C 1.736 176.591 174.900 -0.075 0.000 1.164 124 G CA 0.919 46.000 45.100 -0.032 0.000 0.768 124 G HN 0.496 8.786 8.290 0.000 0.000 0.560 125 G N -0.087 108.614 108.800 -0.164 0.000 2.440 125 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 125 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 125 G C 1.544 176.271 174.900 -0.289 0.000 1.154 125 G CA 1.247 46.203 45.100 -0.241 0.000 0.767 125 G HN 0.613 8.903 8.290 0.000 0.000 0.552 126 H N -0.183 118.757 119.070 -0.216 0.000 2.389 126 H HA 0.124 4.680 4.556 0.001 0.000 0.299 126 H C 2.575 177.827 175.328 -0.126 0.000 1.081 126 H CA 0.935 56.847 56.048 -0.227 0.000 1.345 126 H CB 0.051 29.550 29.762 -0.438 0.000 1.393 126 H HN 0.305 8.585 8.280 0.000 0.000 0.520 127 I N 0.617 121.185 120.570 -0.003 0.000 2.226 127 I HA -0.264 3.907 4.170 0.001 0.000 0.245 127 I C 2.465 178.576 176.117 -0.011 0.000 1.100 127 I CA 1.274 62.569 61.300 -0.007 0.000 1.374 127 I CB -0.164 37.827 38.000 -0.015 0.000 1.057 127 I HN 0.191 8.401 8.210 0.000 0.000 0.413 128 K N 1.325 121.708 120.400 -0.028 0.000 2.057 128 K HA -0.264 4.057 4.320 0.001 0.000 0.207 128 K C 2.204 178.792 176.600 -0.020 0.000 1.049 128 K CA 1.696 57.968 56.287 -0.026 0.000 0.931 128 K CB -0.002 32.474 32.500 -0.040 0.000 0.714 128 K HN 0.094 8.344 8.250 0.000 0.000 0.440 129 K N -0.048 120.337 120.400 -0.026 0.000 2.031 129 K HA -0.060 4.260 4.320 0.001 0.000 0.205 129 K C 1.640 178.246 176.600 0.009 0.000 1.049 129 K CA 1.492 57.773 56.287 -0.010 0.000 0.939 129 K CB 0.122 32.616 32.500 -0.010 0.000 0.717 129 K HN 0.161 8.411 8.250 0.000 0.000 0.438 130 N N -0.441 118.268 118.700 0.016 0.000 2.387 130 N HA 0.029 4.769 4.740 0.001 0.000 0.176 130 N C 0.080 175.599 175.510 0.015 0.000 1.022 130 N CA 0.858 53.919 53.050 0.019 0.000 0.883 130 N CB 0.514 39.014 38.487 0.022 0.000 1.019 130 N HN 0.334 8.714 8.380 0.000 0.000 0.435 131 C N -1.063 118.244 119.300 0.013 0.000 2.782 131 C HA 0.420 4.881 4.460 0.001 0.000 0.328 131 C C 0.776 175.779 174.990 0.021 0.000 1.145 131 C CA -1.387 57.642 59.018 0.019 0.000 1.358 131 C CB 0.255 28.005 27.740 0.016 0.000 1.841 131 C HN 0.415 8.645 8.230 0.000 0.000 0.477 132 N N 0.497 119.227 118.700 0.050 0.000 2.178 132 N HA -0.271 4.470 4.740 0.001 0.000 0.229 132 N C 0.680 176.248 175.510 0.098 0.000 1.390 132 N CA 1.202 54.297 53.050 0.074 0.000 0.820 132 N CB -0.306 38.224 38.487 0.071 0.000 1.303 132 N HN 1.123 9.503 8.380 0.000 0.000 0.628 133 A N 0.202 123.066 122.820 0.073 0.000 2.332 133 A HA 0.432 4.753 4.320 0.001 0.000 0.258 133 A C -0.107 177.517 177.584 0.067 0.000 1.087 133 A CA -0.337 51.748 52.037 0.079 0.000 0.802 133 A CB 0.284 19.308 19.000 0.039 0.000 1.042 133 A HN 0.230 8.380 8.150 0.000 0.000 0.489 134 F N 2.499 122.354 119.950 -0.159 0.000 2.404 134 F HA 0.533 5.061 4.527 0.001 0.000 0.345 134 F C -0.403 175.266 175.800 -0.219 0.000 1.110 134 F CA -1.085 56.713 58.000 -0.337 0.000 1.130 134 F CB 0.665 39.067 39.000 -0.998 0.000 1.129 134 F HN 0.297 8.597 8.300 0.000 0.000 0.500 135 I N 7.898 128.011 120.570 -0.762 0.000 2.404 135 I HA 0.366 4.536 4.170 0.001 0.000 0.293 135 I C -0.396 175.363 176.117 -0.597 0.000 0.992 135 I CA -0.761 60.246 61.300 -0.489 0.000 1.149 135 I CB 1.407 39.241 38.000 -0.277 0.000 1.315 135 I HN 0.502 8.712 8.210 0.000 0.000 0.446 136 I N 6.053 126.426 120.570 -0.329 0.000 2.389 136 I HA 0.384 4.554 4.170 0.001 0.000 0.288 136 I C -0.347 175.694 176.117 -0.127 0.000 0.999 136 I CA -0.817 60.354 61.300 -0.215 0.000 1.129 136 I CB 2.140 40.080 38.000 -0.100 0.000 1.288 136 I HN 0.156 8.366 8.210 0.000 0.000 0.444 137 V N 7.244 127.089 119.914 -0.115 0.000 2.427 137 V HA 0.282 4.403 4.120 0.001 0.000 0.286 137 V C 0.569 176.627 176.094 -0.060 0.000 1.034 137 V CA -0.264 61.986 62.300 -0.084 0.000 0.893 137 V CB 1.862 33.621 31.823 -0.107 0.000 0.982 137 V HN 0.629 8.819 8.190 0.000 0.000 0.452 138 V N 1.831 121.724 119.914 -0.036 0.000 3.137 138 V HA 0.040 4.160 4.120 0.001 0.000 0.236 138 V C 1.065 177.162 176.094 0.006 0.000 1.260 138 V CA 0.447 62.733 62.300 -0.023 0.000 1.244 138 V CB 0.362 32.178 31.823 -0.011 0.000 1.016 138 V HN 0.915 9.105 8.190 0.000 0.000 0.477 139 T N 3.035 117.597 114.554 0.013 0.000 2.867 139 T HA -0.032 4.319 4.350 0.001 0.000 0.290 139 T C 0.158 174.882 174.700 0.042 0.000 1.025 139 T CA 0.704 62.826 62.100 0.036 0.000 1.146 139 T CB -0.126 68.760 68.868 0.030 0.000 1.024 139 T HN 0.244 8.484 8.240 0.000 0.000 0.519 140 N N 3.514 122.256 118.700 0.071 0.000 2.495 140 N HA 0.334 5.075 4.740 0.001 0.000 0.280 140 N C -2.532 172.995 175.510 0.027 0.000 1.168 140 N CA -1.914 51.174 53.050 0.063 0.000 0.978 140 N CB 1.091 39.636 38.487 0.097 0.000 1.191 140 N HN 0.318 8.698 8.380 0.000 0.000 0.497 141 P HA 0.018 4.438 4.420 0.000 0.000 0.276 141 P C 0.996 178.298 177.300 0.004 0.000 1.264 141 P CA -0.082 63.013 63.100 -0.007 0.000 0.769 141 P CB 0.988 32.660 31.700 -0.046 0.000 0.840 142 V N 3.849 123.788 119.914 0.041 0.000 2.407 142 V HA -0.205 3.916 4.120 0.001 0.000 0.248 142 V C 1.555 177.634 176.094 -0.024 0.000 1.055 142 V CA 2.067 64.375 62.300 0.014 0.000 1.049 142 V CB -0.691 31.151 31.823 0.031 0.000 0.662 142 V HN 0.450 8.639 8.190 0.000 0.000 0.455 143 D N -0.543 119.855 120.400 -0.003 0.000 2.269 143 D HA -0.088 4.553 4.640 0.001 0.000 0.208 143 D C 2.071 178.341 176.300 -0.050 0.000 0.963 143 D CA 1.397 55.392 54.000 -0.009 0.000 0.864 143 D CB 0.198 41.004 40.800 0.010 0.000 0.936 143 D HN 0.480 8.850 8.370 0.000 0.000 0.505 144 V N 1.235 121.117 119.914 -0.052 0.000 2.379 144 V HA -0.155 3.966 4.120 0.001 0.000 0.243 144 V C 2.481 178.518 176.094 -0.094 0.000 1.035 144 V CA 0.884 63.149 62.300 -0.058 0.000 1.035 144 V CB -0.233 31.567 31.823 -0.039 0.000 0.673 144 V HN 0.126 8.316 8.190 0.000 0.000 0.457 145 M N -0.243 119.306 119.600 -0.084 0.000 2.159 145 M HA -0.104 4.376 4.480 0.001 0.000 0.263 145 M C 2.376 178.580 176.300 -0.159 0.000 1.063 145 M CA 1.458 56.706 55.300 -0.087 0.000 1.110 145 M CB -1.236 31.335 32.600 -0.049 0.000 1.374 145 M HN 0.343 8.633 8.290 0.000 0.000 0.411 146 V N 0.250 120.016 119.914 -0.247 0.000 2.427 146 V HA -0.281 3.840 4.120 0.001 0.000 0.248 146 V C 2.334 178.013 176.094 -0.692 0.000 1.051 146 V CA 2.193 64.245 62.300 -0.414 0.000 1.048 146 V CB -0.385 31.185 31.823 -0.422 0.000 0.666 146 V HN 0.584 8.774 8.190 0.000 0.000 0.456 147 Q N -1.068 118.271 119.800 -0.768 0.000 2.123 147 Q HA -0.179 4.161 4.340 0.001 0.000 0.199 147 Q C 2.158 178.053 176.000 -0.175 0.000 0.966 147 Q CA 1.880 57.304 55.803 -0.633 0.000 0.845 147 Q CB -0.144 28.445 28.738 -0.248 0.000 0.907 147 Q HN 0.602 8.872 8.270 0.000 0.000 0.439 148 L N 0.594 121.749 121.223 -0.114 0.000 2.012 148 L HA -0.188 4.152 4.340 0.001 0.000 0.210 148 L C 2.084 178.999 176.870 0.076 0.000 1.073 148 L CA 1.568 56.424 54.840 0.026 0.000 0.748 148 L CB -0.733 41.334 42.059 0.014 0.000 0.891 148 L HN 0.374 8.604 8.230 0.000 0.000 0.431 149 L N -0.939 120.272 121.223 -0.019 0.000 2.093 149 L HA -0.269 4.071 4.340 0.001 0.000 0.208 149 L C 2.530 179.420 176.870 0.034 0.000 1.085 149 L CA 2.070 56.911 54.840 0.002 0.000 0.755 149 L CB -1.010 41.018 42.059 -0.051 0.000 0.904 149 L HN 0.597 8.827 8.230 0.000 0.000 0.435 150 H N -0.602 118.398 119.070 -0.116 0.000 2.321 150 H HA -0.185 4.371 4.556 0.001 0.000 0.300 150 H C 2.035 177.347 175.328 -0.028 0.000 1.087 150 H CA 1.551 57.573 56.048 -0.044 0.000 1.319 150 H CB 0.446 30.221 29.762 0.021 0.000 1.379 150 H HN 0.389 8.669 8.280 0.000 0.000 0.501 151 Q N -0.041 119.663 119.800 -0.160 0.000 2.084 151 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 151 Q C 2.118 177.900 176.000 -0.364 0.000 0.978 151 Q CA 1.212 56.822 55.803 -0.320 0.000 0.844 151 Q CB -0.315 28.251 28.738 -0.287 0.000 0.898 151 Q HN 0.751 9.021 8.270 0.000 0.000 0.426 152 H N -0.502 118.506 119.070 -0.103 0.000 2.525 152 H HA 0.070 4.626 4.556 0.001 0.000 0.275 152 H C 2.162 177.435 175.328 -0.092 0.000 0.984 152 H CA 1.269 57.261 56.048 -0.093 0.000 1.264 152 H CB 0.429 30.140 29.762 -0.085 0.000 1.432 152 H HN 0.269 8.549 8.280 0.000 0.000 0.549 153 S N -0.750 114.954 115.700 0.007 0.000 2.478 153 S HA 0.104 4.574 4.470 0.001 0.000 0.222 153 S C 1.914 176.496 174.600 -0.030 0.000 1.008 153 S CA 0.629 58.823 58.200 -0.009 0.000 0.928 153 S CB 0.196 63.400 63.200 0.007 0.000 0.781 153 S HN 0.499 8.809 8.310 0.000 0.000 0.518 154 G N 1.341 110.095 108.800 -0.077 0.000 2.168 154 G HA2 -0.288 3.673 3.960 0.001 0.000 0.263 154 G HA3 -0.288 3.673 3.960 0.001 0.000 0.263 154 G C 0.292 175.183 174.900 -0.015 0.000 0.977 154 G CA 0.453 45.502 45.100 -0.086 0.000 0.659 154 G HN 1.607 9.897 8.290 0.000 0.000 0.533 155 V N -1.972 117.974 119.914 0.053 0.000 3.051 155 V HA 0.687 4.807 4.120 0.001 0.000 0.306 155 V C -1.170 175.045 176.094 0.201 0.000 1.083 155 V CA -1.840 60.526 62.300 0.109 0.000 1.104 155 V CB 0.727 32.607 31.823 0.095 0.000 1.027 155 V HN 0.094 8.284 8.190 0.000 0.000 0.483 156 P HA 0.165 4.585 4.420 0.000 0.000 0.269 156 P C 0.563 177.963 177.300 0.167 0.000 1.215 156 P CA -0.310 62.893 63.100 0.172 0.000 0.780 156 P CB 0.333 32.101 31.700 0.114 0.000 0.898 157 K N 2.407 122.883 120.400 0.127 0.000 2.211 157 K HA -0.180 4.141 4.320 0.001 0.000 0.204 157 K C 0.899 177.467 176.600 -0.053 0.000 1.047 157 K CA 1.620 57.856 56.287 -0.085 0.000 0.935 157 K CB -0.609 31.838 32.500 -0.087 0.000 0.728 157 K HN 0.396 8.646 8.250 0.000 0.000 0.452 158 N N 0.881 119.604 118.700 0.038 0.000 2.461 158 N HA -0.055 4.686 4.740 0.001 0.000 0.188 158 N C 0.392 176.016 175.510 0.191 0.000 1.134 158 N CA 0.306 53.411 53.050 0.092 0.000 0.878 158 N CB 0.322 38.867 38.487 0.097 0.000 0.972 158 N HN 0.137 8.517 8.380 0.000 0.000 0.456 159 K N 0.535 121.015 120.400 0.134 0.000 2.414 159 K HA 0.328 4.649 4.320 0.001 0.000 0.204 159 K C -0.274 176.189 176.600 -0.228 0.000 1.026 159 K CA -0.192 56.181 56.287 0.144 0.000 1.108 159 K CB 1.092 33.678 32.500 0.143 0.000 0.855 159 K HN 0.276 8.526 8.250 0.000 0.000 0.517 160 I N 1.030 121.473 120.570 -0.211 0.000 2.644 160 I HA 0.394 4.565 4.170 0.001 0.000 0.291 160 I C -1.490 174.554 176.117 -0.122 0.000 1.180 160 I CA -1.068 60.058 61.300 -0.290 0.000 1.040 160 I CB 1.427 39.364 38.000 -0.105 0.000 1.255 160 I HN -0.003 8.207 8.210 0.000 0.000 0.422 161 I N 3.730 124.185 120.570 -0.192 0.000 3.074 161 I HA 0.931 5.102 4.170 0.001 0.000 0.310 161 I C -0.510 175.588 176.117 -0.032 0.000 1.153 161 I CA -0.911 60.387 61.300 -0.003 0.000 0.993 161 I CB 2.130 40.149 38.000 0.032 0.000 1.237 161 I HN 0.560 8.770 8.210 0.000 0.000 0.443 162 G N 2.393 111.211 108.800 0.031 0.000 2.448 162 G HA2 0.586 4.546 3.960 0.001 0.000 0.324 162 G HA3 0.586 4.546 3.960 0.001 0.000 0.324 162 G C -1.353 173.534 174.900 -0.022 0.000 1.203 162 G CA -0.777 44.313 45.100 -0.017 0.000 0.954 162 G HN 0.661 8.951 8.290 0.000 0.000 0.480 163 L N 2.246 123.432 121.223 -0.061 0.000 2.367 163 L HA 0.677 5.017 4.340 0.001 0.000 0.275 163 L C 0.852 177.607 176.870 -0.192 0.000 1.129 163 L CA 1.492 56.272 54.840 -0.101 0.000 0.839 163 L CB 1.107 43.099 42.059 -0.112 0.000 1.133 163 L HN 0.766 8.996 8.230 0.000 0.000 0.453 164 G N 2.505 111.191 108.800 -0.189 0.000 3.958 164 G HA2 0.081 4.041 3.960 0.001 0.000 0.127 164 G HA3 0.081 4.041 3.960 0.001 0.000 0.127 164 G C 0.828 175.669 174.900 -0.098 0.000 1.260 164 G CA 0.259 45.202 45.100 -0.262 0.000 1.105 164 G HN 0.888 9.178 8.290 0.000 0.000 0.431 165 G N 0.973 109.757 108.800 -0.027 0.000 2.442 165 G HA2 -0.073 3.887 3.960 0.001 0.000 0.219 165 G HA3 -0.073 3.887 3.960 0.001 0.000 0.219 165 G C 1.760 176.640 174.900 -0.034 0.000 1.141 165 G CA 2.087 47.180 45.100 -0.012 0.000 0.763 165 G HN 0.583 8.873 8.290 0.000 0.000 0.554 166 V N 0.565 120.454 119.914 -0.042 0.000 2.343 166 V HA -0.148 3.973 4.120 0.001 0.000 0.247 166 V C 2.658 178.724 176.094 -0.047 0.000 1.051 166 V CA 1.732 64.006 62.300 -0.044 0.000 1.036 166 V CB -0.424 31.380 31.823 -0.032 0.000 0.654 166 V HN 0.376 8.566 8.190 0.000 0.000 0.451 167 L N 0.199 121.389 121.223 -0.054 0.000 2.044 167 L HA -0.096 4.245 4.340 0.001 0.000 0.205 167 L C 2.146 179.010 176.870 -0.009 0.000 1.075 167 L CA 2.014 56.827 54.840 -0.045 0.000 0.747 167 L CB -0.917 41.100 42.059 -0.071 0.000 0.903 167 L HN 0.275 8.505 8.230 0.000 0.000 0.435 168 D N -0.694 119.725 120.400 0.032 0.000 2.117 168 D HA -0.183 4.458 4.640 0.001 0.000 0.197 168 D C 2.120 178.424 176.300 0.007 0.000 0.987 168 D CA 2.113 56.150 54.000 0.062 0.000 0.829 168 D CB -0.355 40.507 40.800 0.104 0.000 0.961 168 D HN 0.574 8.944 8.370 0.000 0.000 0.460 169 T N -0.858 113.685 114.554 -0.019 0.000 2.951 169 T HA -0.125 4.226 4.350 0.001 0.000 0.268 169 T C 2.094 176.768 174.700 -0.045 0.000 1.073 169 T CA 1.592 63.672 62.100 -0.034 0.000 1.134 169 T CB -0.340 68.488 68.868 -0.067 0.000 0.884 169 T HN 0.119 8.359 8.240 0.000 0.000 0.479 170 S N 2.214 117.880 115.700 -0.056 0.000 2.374 170 S HA -0.214 4.256 4.470 0.001 0.000 0.227 170 S C 2.221 176.752 174.600 -0.116 0.000 1.037 170 S CA 0.978 59.136 58.200 -0.071 0.000 1.024 170 S CB -0.530 62.621 63.200 -0.082 0.000 0.861 170 S HN 0.623 8.933 8.310 0.000 0.000 0.456 171 R N 0.381 120.782 120.500 -0.165 0.000 2.062 171 R HA 0.127 4.467 4.340 0.001 0.000 0.231 171 R C 2.482 178.527 176.300 -0.425 0.000 1.136 171 R CA 1.282 57.147 56.100 -0.392 0.000 0.948 171 R CB -0.797 29.363 30.300 -0.233 0.000 0.845 171 R HN 0.398 8.668 8.270 0.000 0.000 0.430 172 L N 1.827 122.994 121.223 -0.092 0.000 2.012 172 L HA -0.205 4.136 4.340 0.001 0.000 0.210 172 L C 1.686 178.586 176.870 0.049 0.000 1.073 172 L CA 1.905 56.791 54.840 0.076 0.000 0.748 172 L CB -0.372 41.756 42.059 0.115 0.000 0.891 172 L HN 0.010 8.240 8.230 0.000 0.000 0.431 173 K N -1.771 118.634 120.400 0.008 0.000 2.032 173 K HA -0.254 4.066 4.320 0.001 0.000 0.209 173 K C 2.157 178.763 176.600 0.010 0.000 1.048 173 K CA 2.032 58.327 56.287 0.013 0.000 0.927 173 K CB -0.604 31.900 32.500 0.007 0.000 0.712 173 K HN 0.346 8.596 8.250 0.000 0.000 0.441 174 Y N 0.691 120.903 120.300 -0.147 0.000 2.114 174 Y HA -0.275 4.275 4.550 0.000 0.000 0.284 174 Y C 1.901 177.788 175.900 -0.022 0.000 1.143 174 Y CA 1.435 59.455 58.100 -0.133 0.000 1.135 174 Y CB -0.564 37.755 38.460 -0.234 0.000 0.980 174 Y HN 0.095 8.375 8.280 0.000 0.000 0.499 175 Y N -0.585 119.718 120.300 0.005 0.000 2.151 175 Y HA -0.309 4.241 4.550 0.001 0.000 0.284 175 Y C 2.520 178.348 175.900 -0.120 0.000 1.166 175 Y CA 1.173 59.234 58.100 -0.066 0.000 1.163 175 Y CB -0.406 38.080 38.460 0.045 0.000 0.974 175 Y HN 0.118 8.398 8.280 0.000 0.000 0.511 176 I N -0.188 120.421 120.570 0.066 0.000 2.252 176 I HA -0.302 3.868 4.170 0.001 0.000 0.245 176 I C 2.635 178.694 176.117 -0.096 0.000 1.102 176 I CA 1.504 62.795 61.300 -0.014 0.000 1.385 176 I CB -0.472 37.522 38.000 -0.011 0.000 1.064 176 I HN 0.243 8.453 8.210 0.000 0.000 0.414 177 S N 0.448 116.064 115.700 -0.140 0.000 2.399 177 S HA -0.254 4.216 4.470 0.001 0.000 0.231 177 S C 1.901 176.381 174.600 -0.201 0.000 1.022 177 S CA 1.095 59.194 58.200 -0.169 0.000 0.983 177 S CB -0.491 62.611 63.200 -0.164 0.000 0.803 177 S HN 0.503 8.813 8.310 0.000 0.000 0.480 178 Q N 0.735 120.363 119.800 -0.287 0.000 2.119 178 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 178 Q C 2.216 178.148 176.000 -0.113 0.000 0.972 178 Q CA 1.585 57.247 55.803 -0.235 0.000 0.847 178 Q CB -0.205 28.380 28.738 -0.255 0.000 0.903 178 Q HN 0.568 8.838 8.270 0.000 0.000 0.433 179 K N 1.131 121.480 120.400 -0.086 0.000 2.062 179 K HA -0.063 4.258 4.320 0.001 0.000 0.205 179 K C 1.568 178.145 176.600 -0.038 0.000 1.051 179 K CA 1.125 57.382 56.287 -0.050 0.000 0.941 179 K CB -0.068 32.409 32.500 -0.039 0.000 0.719 179 K HN 0.129 8.379 8.250 0.000 0.000 0.440 180 L N 0.506 121.695 121.223 -0.057 0.000 2.558 180 L HA 0.122 4.463 4.340 0.001 0.000 0.225 180 L C 0.323 177.183 176.870 -0.017 0.000 1.128 180 L CA 0.203 55.022 54.840 -0.035 0.000 0.868 180 L CB -0.477 41.513 42.059 -0.115 0.000 1.006 180 L HN 0.446 8.676 8.230 0.000 0.000 0.454 181 N N 0.873 119.551 118.700 -0.038 0.000 2.738 181 N HA -0.161 4.580 4.740 0.001 0.000 0.249 181 N C -0.471 175.031 175.510 -0.013 0.000 1.047 181 N CA 0.312 53.348 53.050 -0.023 0.000 0.707 181 N CB -0.374 38.113 38.487 -0.001 0.000 0.937 181 N HN 0.241 8.621 8.380 0.000 0.000 0.545 182 V N -2.789 117.104 119.914 -0.035 0.000 3.126 182 V HA 0.553 4.673 4.120 0.001 0.000 0.314 182 V C 1.036 177.117 176.094 -0.022 0.000 1.138 182 V CA -1.144 61.143 62.300 -0.021 0.000 1.034 182 V CB 1.646 33.451 31.823 -0.031 0.000 1.075 182 V HN 0.270 8.460 8.190 0.000 0.000 0.442 183 C N 4.052 123.351 119.300 -0.001 0.000 2.592 183 C HA 0.279 4.739 4.460 0.001 0.000 0.408 183 C C -0.414 174.582 174.990 0.010 0.000 1.436 183 C CA -0.024 59.002 59.018 0.012 0.000 1.595 183 C CB 0.042 27.793 27.740 0.018 0.000 2.487 183 C HN 0.902 9.132 8.230 0.000 0.000 0.610 184 P HA -0.140 4.280 4.420 0.000 0.000 0.216 184 P C 1.668 178.989 177.300 0.036 0.000 1.150 184 P CA 1.366 64.499 63.100 0.055 0.000 0.843 184 P CB -0.046 31.767 31.700 0.187 0.000 0.787 185 R N -0.113 120.406 120.500 0.033 0.000 2.193 185 R HA -0.106 4.234 4.340 0.001 0.000 0.229 185 R C 1.372 177.679 176.300 0.012 0.000 1.110 185 R CA 1.313 57.425 56.100 0.019 0.000 0.988 185 R CB -1.019 29.292 30.300 0.018 0.000 0.871 185 R HN 0.075 8.345 8.270 0.000 0.000 0.458 186 D N -0.675 119.729 120.400 0.007 0.000 2.347 186 D HA -0.018 4.622 4.640 0.001 0.000 0.215 186 D C -0.264 176.029 176.300 -0.013 0.000 0.976 186 D CA 0.475 54.476 54.000 0.002 0.000 0.884 186 D CB 0.250 41.051 40.800 0.002 0.000 0.915 186 D HN -0.005 8.365 8.370 0.000 0.000 0.526 187 V N 1.239 121.141 119.914 -0.021 0.000 2.465 187 V HA 0.197 4.318 4.120 0.001 0.000 0.279 187 V C 0.238 176.333 176.094 0.001 0.000 1.045 187 V CA -0.625 61.658 62.300 -0.028 0.000 0.938 187 V CB 1.343 33.142 31.823 -0.041 0.000 0.986 187 V HN -0.051 8.139 8.190 0.000 0.000 0.467 188 N N 2.127 120.841 118.700 0.023 0.000 2.269 188 N HA 0.831 5.571 4.740 0.001 0.000 0.304 188 N C -0.868 174.689 175.510 0.078 0.000 1.072 188 N CA -0.291 52.783 53.050 0.039 0.000 0.802 188 N CB 1.883 40.411 38.487 0.068 0.000 1.348 188 N HN 0.904 9.284 8.380 0.000 0.000 0.484 189 A N 1.773 124.612 122.820 0.033 0.000 2.605 189 A HA 0.403 4.723 4.320 0.001 0.000 0.294 189 A C -1.970 175.575 177.584 -0.065 0.000 1.062 189 A CA -0.589 51.505 52.037 0.096 0.000 0.682 189 A CB 1.208 20.259 19.000 0.085 0.000 1.278 189 A HN 0.741 8.891 8.150 0.000 0.000 0.410 190 H N 0.697 119.802 119.070 0.058 0.000 2.547 190 H HA 0.592 5.148 4.556 0.001 0.000 0.342 190 H C -1.256 174.052 175.328 -0.034 0.000 1.048 190 H CA -0.245 55.800 56.048 -0.004 0.000 1.204 190 H CB 1.686 31.403 29.762 -0.075 0.000 1.493 190 H HN 0.505 8.785 8.280 0.000 0.000 0.511 191 I N 4.091 124.678 120.570 0.028 0.000 2.447 191 I HA 0.265 4.436 4.170 0.001 0.000 0.287 191 I C 0.002 176.118 176.117 -0.002 0.000 1.023 191 I CA -0.921 60.371 61.300 -0.013 0.000 1.083 191 I CB 1.924 39.906 38.000 -0.031 0.000 1.245 191 I HN 0.279 8.489 8.210 0.000 0.000 0.434 192 V N 2.041 121.941 119.914 -0.024 0.000 3.156 192 V HA 1.027 5.148 4.120 0.001 0.000 0.311 192 V C 0.437 176.418 176.094 -0.188 0.000 1.208 192 V CA 0.332 62.615 62.300 -0.028 0.000 1.063 192 V CB 1.156 33.014 31.823 0.058 0.000 1.098 192 V HN 0.975 9.165 8.190 0.000 0.000 0.452 193 G N 0.246 108.824 108.800 -0.369 0.000 5.064 193 G HA2 0.270 4.231 3.960 0.001 0.000 0.277 193 G HA3 0.270 4.231 3.960 0.001 0.000 0.277 193 G C 0.351 174.969 174.900 -0.469 0.000 1.580 193 G CA 0.483 45.049 45.100 -0.890 0.000 1.109 193 G HN 2.623 10.913 8.290 0.000 0.000 0.695 194 A N -0.966 121.683 122.820 -0.284 0.000 2.594 194 A HA 0.678 4.998 4.320 0.001 0.000 0.295 194 A C -0.931 176.621 177.584 -0.054 0.000 1.071 194 A CA 0.558 52.507 52.037 -0.147 0.000 0.685 194 A CB 1.352 20.250 19.000 -0.170 0.000 1.285 194 A HN 1.816 9.966 8.150 0.000 0.000 0.405 195 H N 0.352 119.374 119.070 -0.080 0.000 2.908 195 H HA 0.575 5.132 4.556 0.002 0.000 0.269 195 H C 0.392 175.695 175.328 -0.042 0.000 1.303 195 H CA 1.063 57.085 56.048 -0.044 0.000 1.341 195 H CB 0.081 29.832 29.762 -0.017 0.000 1.519 195 H HN 1.212 9.492 8.280 0.000 0.000 0.505 196 G N 2.756 111.364 108.800 -0.321 0.000 2.340 196 G HA2 -0.088 3.872 3.960 0.001 0.000 0.299 196 G HA3 -0.088 3.872 3.960 0.001 0.000 0.299 196 G C -0.081 174.707 174.900 -0.187 0.000 1.291 196 G CA -0.803 44.132 45.100 -0.275 0.000 0.841 196 G HN 0.395 8.685 8.290 0.000 0.000 0.500 197 N N -0.171 118.444 118.700 -0.142 0.000 2.430 197 N HA -0.059 4.682 4.740 0.001 0.000 0.186 197 N C 1.298 176.760 175.510 -0.081 0.000 1.032 197 N CA 0.761 53.757 53.050 -0.090 0.000 0.893 197 N CB 0.131 38.575 38.487 -0.072 0.000 0.957 197 N HN 0.248 8.628 8.380 0.000 0.000 0.442 198 K N 0.996 121.335 120.400 -0.101 0.000 2.446 198 K HA 0.154 4.475 4.320 0.001 0.000 0.203 198 K C 0.537 177.064 176.600 -0.122 0.000 1.027 198 K CA -0.219 56.008 56.287 -0.099 0.000 1.166 198 K CB -0.328 32.110 32.500 -0.105 0.000 0.869 198 K HN 0.433 8.683 8.250 0.000 0.000 0.504 199 M N -0.491 119.037 119.600 -0.120 0.000 2.245 199 M HA 0.037 4.517 4.480 0.001 0.000 0.335 199 M C -0.036 176.193 176.300 -0.119 0.000 1.155 199 M CA 0.378 55.606 55.300 -0.120 0.000 1.055 199 M CB 0.132 32.679 32.600 -0.087 0.000 1.670 199 M HN -0.342 7.948 8.290 0.000 0.000 0.447 200 V N 5.223 125.061 119.914 -0.126 0.000 2.348 200 V HA 0.269 4.389 4.120 0.001 0.000 0.270 200 V C -0.194 175.826 176.094 -0.124 0.000 1.037 200 V CA -0.600 61.636 62.300 -0.106 0.000 0.872 200 V CB 0.681 32.462 31.823 -0.070 0.000 1.002 200 V HN 0.675 8.865 8.190 0.000 0.000 0.464 201 L N 6.636 127.728 121.223 -0.219 0.000 2.268 201 L HA 0.390 4.731 4.340 0.001 0.000 0.289 201 L C 0.061 176.761 176.870 -0.284 0.000 1.064 201 L CA 0.296 54.900 54.840 -0.393 0.000 0.824 201 L CB 0.855 42.376 42.059 -0.897 0.000 1.202 201 L HN 0.484 8.714 8.230 0.000 0.000 0.433 202 L N 4.516 125.702 121.223 -0.063 0.000 2.356 202 L HA 0.193 4.533 4.340 0.001 0.000 0.282 202 L C 1.663 178.675 176.870 0.236 0.000 1.132 202 L CA -0.229 54.691 54.840 0.133 0.000 0.923 202 L CB 0.247 42.437 42.059 0.218 0.000 1.278 202 L HN 0.675 8.905 8.230 0.000 0.000 0.436 203 K N 2.444 123.004 120.400 0.267 0.000 2.074 203 K HA -0.240 4.081 4.320 0.001 0.000 0.209 203 K C 2.062 178.806 176.600 0.240 0.000 1.048 203 K CA 1.664 58.180 56.287 0.382 0.000 0.926 203 K CB 0.068 32.802 32.500 0.391 0.000 0.713 203 K HN 0.459 8.709 8.250 0.000 0.000 0.444 204 R N -0.706 119.898 120.500 0.174 0.000 2.193 204 R HA -0.127 4.213 4.340 0.001 0.000 0.229 204 R C 0.628 176.869 176.300 -0.097 0.000 1.110 204 R CA 1.297 57.402 56.100 0.008 0.000 0.988 204 R CB -0.001 30.245 30.300 -0.090 0.000 0.871 204 R HN 0.280 8.550 8.270 0.000 0.000 0.458 205 Y N -0.008 120.349 120.300 0.096 0.000 2.683 205 Y HA 0.308 4.859 4.550 0.000 0.000 0.297 205 Y C -0.237 175.762 175.900 0.166 0.000 1.147 205 Y CA -0.400 57.758 58.100 0.096 0.000 1.274 205 Y CB 0.413 38.896 38.460 0.038 0.000 1.143 205 Y HN -0.070 8.210 8.280 0.000 0.000 0.527 206 I N 1.072 121.782 120.570 0.234 0.000 2.359 206 I HA 0.351 4.522 4.170 0.001 0.000 0.294 206 I C 0.120 176.312 176.117 0.124 0.000 0.987 206 I CA -0.490 60.923 61.300 0.189 0.000 1.225 206 I CB 1.504 39.613 38.000 0.182 0.000 1.366 206 I HN 0.067 8.277 8.210 0.000 0.000 0.466 207 T N 1.742 116.355 114.554 0.099 0.000 2.906 207 T HA 0.610 4.960 4.350 0.001 0.000 0.295 207 T C 0.009 174.706 174.700 -0.005 0.000 1.075 207 T CA -0.612 61.528 62.100 0.066 0.000 1.005 207 T CB 2.421 71.343 68.868 0.090 0.000 1.136 207 T HN 0.220 8.460 8.240 0.000 0.000 0.498 208 V N -0.125 119.765 119.914 -0.040 0.000 3.368 208 V HA 0.242 4.362 4.120 0.001 0.000 0.255 208 V C -1.587 174.511 176.094 0.006 0.000 1.466 208 V CA -0.368 61.841 62.300 -0.151 0.000 1.095 208 V CB -0.607 30.844 31.823 -0.620 0.000 0.899 208 V HN 0.671 8.861 8.190 0.000 0.000 0.440 209 P HA -0.038 4.382 4.420 0.000 0.000 0.314 209 P C 0.837 178.256 177.300 0.197 0.000 1.376 209 P CA 0.475 63.648 63.100 0.121 0.000 0.821 209 P CB 0.057 31.801 31.700 0.072 0.000 1.691 210 Q N -1.033 118.847 119.800 0.134 0.000 1.955 210 Q HA -0.375 3.965 4.340 0.001 0.000 0.150 210 Q C 1.506 177.564 176.000 0.097 0.000 0.972 210 Q CA 2.685 58.545 55.803 0.096 0.000 1.502 210 Q CB -1.843 26.928 28.738 0.055 0.000 1.628 210 Q HN 0.588 8.858 8.270 0.000 0.000 0.813 211 E N -1.444 118.827 120.200 0.119 0.000 2.077 211 E HA -0.141 4.210 4.350 0.001 0.000 0.193 211 E C 1.556 178.130 176.600 -0.044 0.000 0.989 211 E CA 1.350 57.756 56.400 0.009 0.000 0.800 211 E CB -0.263 29.405 29.700 -0.054 0.000 0.746 211 E HN 0.517 8.877 8.360 0.000 0.000 0.452 212 F N 0.746 120.698 119.950 0.003 0.000 2.259 212 F HA -0.070 4.457 4.527 0.001 0.000 0.298 212 F C 2.158 177.955 175.800 -0.005 0.000 1.088 212 F CA 0.703 58.703 58.000 0.000 0.000 1.358 212 F CB -0.223 38.779 39.000 0.003 0.000 1.040 212 F HN -0.030 8.270 8.300 0.000 0.000 0.505 213 I N -0.143 120.526 120.570 0.166 0.000 2.202 213 I HA -0.286 3.885 4.170 0.001 0.000 0.242 213 I C 2.020 178.161 176.117 0.039 0.000 1.091 213 I CA 0.980 62.328 61.300 0.080 0.000 1.368 213 I CB -0.534 37.500 38.000 0.057 0.000 1.058 213 I HN 0.077 8.287 8.210 0.000 0.000 0.410 214 N N 1.221 119.936 118.700 0.025 0.000 2.149 214 N HA -0.177 4.564 4.740 0.001 0.000 0.188 214 N C 1.338 176.838 175.510 -0.016 0.000 1.019 214 N CA 1.247 54.296 53.050 -0.002 0.000 0.857 214 N CB -0.580 37.899 38.487 -0.014 0.000 0.997 214 N HN 0.339 8.719 8.380 0.000 0.000 0.426 215 N N 1.266 119.948 118.700 -0.030 0.000 2.461 215 N HA 0.024 4.764 4.740 0.001 0.000 0.188 215 N C -0.238 175.265 175.510 -0.012 0.000 1.134 215 N CA 0.187 53.211 53.050 -0.044 0.000 0.878 215 N CB 0.270 38.694 38.487 -0.105 0.000 0.972 215 N HN 0.301 8.681 8.380 0.000 0.000 0.456 219 I N 0.868 121.484 120.570 0.077 0.000 2.722 219 I HA 0.425 4.596 4.170 0.001 0.000 0.292 219 I C -0.454 175.674 176.117 0.018 0.000 1.267 219 I CA -0.180 61.139 61.300 0.033 0.000 1.036 219 I CB 2.158 40.169 38.000 0.019 0.000 1.281 219 I HN 0.121 8.331 8.210 0.000 0.000 0.423 220 S N 4.077 119.772 115.700 -0.010 0.000 2.713 220 S HA 0.373 4.843 4.470 0.001 0.000 0.283 220 S C 0.558 175.131 174.600 -0.046 0.000 1.161 220 S CA -0.605 57.584 58.200 -0.018 0.000 0.999 220 S CB 1.611 64.799 63.200 -0.020 0.000 1.039 220 S HN 0.684 8.994 8.310 0.000 0.000 0.548 221 D N 1.180 121.554 120.400 -0.043 0.000 2.123 221 D HA -0.113 4.528 4.640 0.001 0.000 0.196 221 D C 2.141 178.384 176.300 -0.095 0.000 0.992 221 D CA 1.760 55.718 54.000 -0.069 0.000 0.833 221 D CB -0.536 40.241 40.800 -0.038 0.000 0.954 221 D HN 0.710 9.080 8.370 0.000 0.000 0.455 222 A N 1.185 123.966 122.820 -0.065 0.000 1.898 222 A HA -0.130 4.190 4.320 0.001 0.000 0.216 222 A C 1.370 178.904 177.584 -0.082 0.000 1.181 222 A CA 0.813 52.813 52.037 -0.062 0.000 0.620 222 A CB -0.297 18.680 19.000 -0.038 0.000 0.819 222 A HN 0.181 8.331 8.150 0.000 0.000 0.442 226 E N 0.620 120.589 120.200 -0.385 0.000 2.085 226 E HA -0.187 4.163 4.350 0.001 0.000 0.194 226 E C 1.837 178.393 176.600 -0.074 0.000 0.994 226 E CA 1.799 58.062 56.400 -0.228 0.000 0.801 226 E CB 0.031 29.675 29.700 -0.093 0.000 0.743 226 E HN 0.602 8.962 8.360 0.000 0.000 0.453 227 A N 0.694 123.468 122.820 -0.076 0.000 1.930 227 A HA -0.125 4.196 4.320 0.001 0.000 0.217 227 A C 2.145 179.722 177.584 -0.011 0.000 1.175 227 A CA 1.111 53.128 52.037 -0.033 0.000 0.627 227 A CB -0.495 18.474 19.000 -0.051 0.000 0.815 227 A HN 0.335 8.485 8.150 0.000 0.000 0.443 228 I N -1.280 119.275 120.570 -0.025 0.000 2.315 228 I HA -0.208 3.963 4.170 0.001 0.000 0.248 228 I C 2.158 178.445 176.117 0.283 0.000 1.117 228 I CA 0.907 62.251 61.300 0.072 0.000 1.404 228 I CB -0.293 37.756 38.000 0.082 0.000 1.071 228 I HN 0.241 8.451 8.210 0.000 0.000 0.419 229 F N 1.250 121.243 119.950 0.071 0.000 2.102 229 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 229 F C 2.393 178.234 175.800 0.068 0.000 1.105 229 F CA 1.248 59.294 58.000 0.078 0.000 1.239 229 F CB -1.244 37.793 39.000 0.061 0.000 0.991 229 F HN 0.141 8.441 8.300 0.000 0.000 0.474 230 D N -0.395 120.151 120.400 0.243 0.000 2.117 230 D HA -0.163 4.477 4.640 0.001 0.000 0.197 230 D C 2.419 178.785 176.300 0.110 0.000 0.987 230 D CA 0.949 55.032 54.000 0.137 0.000 0.829 230 D CB -0.405 40.446 40.800 0.086 0.000 0.961 230 D HN 0.170 8.540 8.370 0.000 0.000 0.460 231 R N 0.160 120.713 120.500 0.089 0.000 2.081 231 R HA -0.104 4.236 4.340 0.001 0.000 0.235 231 R C 1.970 178.380 176.300 0.183 0.000 1.131 231 R CA 1.542 57.667 56.100 0.041 0.000 0.960 231 R CB -0.171 30.028 30.300 -0.168 0.000 0.856 231 R HN 0.083 8.353 8.270 0.000 0.000 0.436 232 T N 0.318 115.046 114.554 0.289 0.000 2.674 232 T HA -0.110 4.241 4.350 0.001 0.000 0.265 232 T C 1.825 176.632 174.700 0.178 0.000 1.039 232 T CA 1.540 63.829 62.100 0.315 0.000 1.150 232 T CB -0.185 68.848 68.868 0.276 0.000 0.864 232 T HN 0.037 8.277 8.240 0.000 0.000 0.427 233 V N 2.073 122.063 119.914 0.127 0.000 2.332 233 V HA -0.172 3.949 4.120 0.001 0.000 0.248 233 V C 1.711 177.857 176.094 0.086 0.000 1.055 233 V CA 1.748 64.091 62.300 0.072 0.000 1.038 233 V CB -0.705 31.147 31.823 0.048 0.000 0.651 233 V HN 0.530 8.720 8.190 0.000 0.000 0.450 234 N N -1.048 117.713 118.700 0.102 0.000 2.322 234 N HA -0.015 4.726 4.740 0.001 0.000 0.194 234 N C 1.468 177.042 175.510 0.107 0.000 1.126 234 N CA 0.391 53.502 53.050 0.102 0.000 0.845 234 N CB 0.210 38.745 38.487 0.079 0.000 0.976 234 N HN 0.330 8.710 8.380 0.000 0.000 0.475 235 T N 0.335 114.967 114.554 0.130 0.000 2.684 235 T HA -0.179 4.171 4.350 0.001 0.000 0.267 235 T C 2.135 176.872 174.700 0.061 0.000 1.036 235 T CA 1.423 63.600 62.100 0.129 0.000 1.148 235 T CB -0.259 68.723 68.868 0.190 0.000 0.863 235 T HN 0.374 8.614 8.240 0.000 0.000 0.436 236 A N 1.301 124.158 122.820 0.062 0.000 1.883 236 A HA -0.083 4.237 4.320 0.001 0.000 0.217 236 A C 2.255 179.704 177.584 -0.226 0.000 1.186 236 A CA 1.637 53.639 52.037 -0.059 0.000 0.624 236 A CB -0.957 18.095 19.000 0.087 0.000 0.822 236 A HN 0.424 8.574 8.150 0.000 0.000 0.444 237 L N 0.069 121.282 121.223 -0.018 0.000 2.042 237 L HA -0.180 4.160 4.340 0.001 0.000 0.210 237 L C 2.328 179.170 176.870 -0.047 0.000 1.076 237 L CA 2.764 57.612 54.840 0.013 0.000 0.749 237 L CB -0.661 41.528 42.059 0.216 0.000 0.893 237 L HN 0.635 8.865 8.230 0.000 0.000 0.432 238 E N -0.316 119.879 120.200 -0.008 0.000 2.038 238 E HA -0.263 4.088 4.350 0.001 0.000 0.195 238 E C 2.220 178.799 176.600 -0.035 0.000 1.000 238 E CA 2.091 58.488 56.400 -0.005 0.000 0.803 238 E CB -0.279 29.433 29.700 0.021 0.000 0.750 238 E HN 0.646 9.006 8.360 0.000 0.000 0.448 239 I N 0.410 120.944 120.570 -0.060 0.000 2.315 239 I HA -0.221 3.950 4.170 0.001 0.000 0.248 239 I C 2.374 178.418 176.117 -0.122 0.000 1.117 239 I CA 0.419 61.679 61.300 -0.066 0.000 1.404 239 I CB -0.059 37.898 38.000 -0.071 0.000 1.071 239 I HN 0.072 8.282 8.210 0.000 0.000 0.419 240 V N 1.144 120.906 119.914 -0.254 0.000 2.407 240 V HA -0.283 3.837 4.120 0.001 0.000 0.248 240 V C 2.092 178.086 176.094 -0.166 0.000 1.055 240 V CA 1.925 64.025 62.300 -0.334 0.000 1.049 240 V CB -0.713 30.718 31.823 -0.653 0.000 0.662 240 V HN 0.496 8.686 8.190 0.000 0.000 0.455 241 N N -0.336 118.305 118.700 -0.097 0.000 2.354 241 N HA 0.022 4.762 4.740 0.001 0.000 0.179 241 N C 1.721 177.228 175.510 -0.005 0.000 1.021 241 N CA 0.971 54.001 53.050 -0.033 0.000 0.887 241 N CB 0.104 38.587 38.487 -0.007 0.000 0.974 241 N HN 0.405 8.785 8.380 0.000 0.000 0.437 242 L N -0.991 120.236 121.223 0.005 0.000 2.270 242 L HA -0.033 4.308 4.340 0.001 0.000 0.210 242 L C 1.814 178.747 176.870 0.106 0.000 1.104 242 L CA 0.910 55.774 54.840 0.041 0.000 0.804 242 L CB 0.024 42.105 42.059 0.038 0.000 0.937 242 L HN 0.241 8.471 8.230 0.000 0.000 0.450 243 H N -1.659 117.390 119.070 -0.035 0.000 2.725 243 H HA 0.547 5.103 4.556 0.001 0.000 0.129 243 H C -0.727 174.595 175.328 -0.009 0.000 1.173 243 H CA 0.330 56.369 56.048 -0.014 0.000 1.137 243 H CB 0.583 30.340 29.762 -0.008 0.000 0.808 243 H HN 0.002 8.282 8.280 0.000 0.000 0.250 244 A N -0.236 122.338 122.820 -0.411 0.000 2.566 244 A HA 0.503 4.823 4.320 0.001 0.000 0.290 244 A C -0.985 176.429 177.584 -0.284 0.000 1.071 244 A CA -0.009 51.768 52.037 -0.433 0.000 0.658 244 A CB 0.510 19.111 19.000 -0.664 0.000 1.285 244 A HN 0.405 8.555 8.150 0.000 0.000 0.427 245 S N 1.480 117.037 115.700 -0.240 0.000 2.596 245 S HA 0.361 4.832 4.470 0.001 0.000 0.298 245 S C -2.157 172.428 174.600 -0.025 0.000 1.255 245 S CA -0.471 57.601 58.200 -0.212 0.000 1.083 245 S CB -0.357 62.783 63.200 -0.100 0.000 0.837 245 S HN 0.393 8.704 8.310 0.000 0.000 0.499 246 P HA 0.070 4.490 4.420 0.000 0.000 0.265 246 P C -0.319 177.030 177.300 0.082 0.000 1.187 246 P CA 0.281 63.350 63.100 -0.052 0.000 0.766 246 P CB 0.080 31.739 31.700 -0.069 0.000 0.820 247 Y N -0.638 119.648 120.300 -0.025 0.000 2.450 247 Y HA 0.212 4.762 4.550 0.000 0.000 0.279 247 Y C 1.316 177.208 175.900 -0.014 0.000 1.106 247 Y CA -0.184 57.904 58.100 -0.019 0.000 1.143 247 Y CB -0.849 37.598 38.460 -0.021 0.000 1.328 247 Y HN -0.037 8.243 8.280 0.000 0.000 0.553 248 V N 1.597 121.352 119.914 -0.265 0.000 2.283 248 V HA -0.166 3.955 4.120 0.001 0.000 0.243 248 V C 2.748 178.791 176.094 -0.085 0.000 1.039 248 V CA 2.395 64.612 62.300 -0.138 0.000 1.016 248 V CB -1.092 30.599 31.823 -0.219 0.000 0.650 248 V HN 0.543 8.733 8.190 0.000 0.000 0.449 249 A N 0.386 123.137 122.820 -0.116 0.000 1.898 249 A HA -0.068 4.253 4.320 0.001 0.000 0.216 249 A C 0.525 178.078 177.584 -0.051 0.000 1.181 249 A CA 1.776 53.760 52.037 -0.089 0.000 0.620 249 A CB -1.852 17.083 19.000 -0.109 0.000 0.819 249 A HN 0.520 8.670 8.150 0.000 0.000 0.442 250 P HA -0.213 4.207 4.420 0.000 0.000 0.214 250 P C 1.842 179.139 177.300 -0.004 0.000 1.163 250 P CA 2.238 65.330 63.100 -0.014 0.000 0.889 250 P CB -0.162 31.549 31.700 0.018 0.000 0.790 251 A N -0.117 122.713 122.820 0.017 0.000 1.892 251 A HA -0.213 4.107 4.320 0.001 0.000 0.218 251 A C 2.363 179.951 177.584 0.007 0.000 1.188 251 A CA 2.598 54.648 52.037 0.023 0.000 0.631 251 A CB -1.713 17.315 19.000 0.047 0.000 0.822 251 A HN 0.212 8.362 8.150 0.000 0.000 0.447 252 A N -0.369 122.447 122.820 -0.008 0.000 1.902 252 A HA 0.154 4.475 4.320 0.001 0.000 0.217 252 A C 2.520 180.097 177.584 -0.012 0.000 1.181 252 A CA 2.205 54.234 52.037 -0.013 0.000 0.623 252 A CB -1.042 17.939 19.000 -0.032 0.000 0.818 252 A HN 1.117 9.267 8.150 0.000 0.000 0.443 253 A N 0.036 122.844 122.820 -0.021 0.000 1.877 253 A HA -0.105 4.216 4.320 0.001 0.000 0.216 253 A C 2.111 179.692 177.584 -0.004 0.000 1.186 253 A CA 1.592 53.617 52.037 -0.021 0.000 0.620 253 A CB -0.662 18.316 19.000 -0.038 0.000 0.822 253 A HN 0.495 8.645 8.150 0.000 0.000 0.443 254 I N -0.026 120.544 120.570 -0.001 0.000 2.163 254 I HA -0.249 3.922 4.170 0.001 0.000 0.243 254 I C 2.096 178.234 176.117 0.035 0.000 1.085 254 I CA 0.984 62.294 61.300 0.016 0.000 1.347 254 I CB -0.284 37.724 38.000 0.012 0.000 1.044 254 I HN 0.236 8.446 8.210 0.000 0.000 0.408 255 I N 0.580 121.167 120.570 0.029 0.000 2.394 255 I HA -0.253 3.918 4.170 0.001 0.000 0.251 255 I C 2.515 178.655 176.117 0.039 0.000 1.136 255 I CA 1.439 62.761 61.300 0.037 0.000 1.425 255 I CB -1.267 36.750 38.000 0.027 0.000 1.079 255 I HN 0.399 8.609 8.210 0.000 0.000 0.425 256 E N 0.803 121.019 120.200 0.027 0.000 2.077 256 E HA -0.233 4.118 4.350 0.001 0.000 0.193 256 E C 2.331 178.957 176.600 0.043 0.000 0.989 256 E CA 1.320 57.736 56.400 0.026 0.000 0.800 256 E CB 0.024 29.730 29.700 0.011 0.000 0.746 256 E HN 0.382 8.742 8.360 0.000 0.000 0.452 257 M N 0.266 119.900 119.600 0.057 0.000 2.077 257 M HA -0.114 4.367 4.480 0.001 0.000 0.261 257 M C 2.475 178.853 176.300 0.130 0.000 1.070 257 M CA 1.692 57.048 55.300 0.094 0.000 1.125 257 M CB -0.193 32.470 32.600 0.105 0.000 1.339 257 M HN 0.206 8.496 8.290 0.000 0.000 0.409 258 A N -0.066 122.834 122.820 0.133 0.000 1.902 258 A HA -0.227 4.094 4.320 0.001 0.000 0.217 258 A C 2.044 179.712 177.584 0.140 0.000 1.181 258 A CA 2.024 54.161 52.037 0.166 0.000 0.623 258 A CB -0.869 18.212 19.000 0.135 0.000 0.818 258 A HN 0.590 8.740 8.150 0.000 0.000 0.443 259 E N -0.455 119.797 120.200 0.086 0.000 2.110 259 E HA -0.172 4.179 4.350 0.001 0.000 0.193 259 E C 2.165 178.785 176.600 0.033 0.000 0.988 259 E CA 1.220 57.653 56.400 0.054 0.000 0.804 259 E CB -0.166 29.555 29.700 0.034 0.000 0.745 259 E HN 0.543 8.903 8.360 0.000 0.000 0.458 260 S N -0.770 114.954 115.700 0.039 0.000 2.368 260 S HA -0.207 4.263 4.470 0.001 0.000 0.225 260 S C 1.775 176.364 174.600 -0.019 0.000 1.030 260 S CA 1.306 59.513 58.200 0.011 0.000 0.999 260 S CB -0.464 62.751 63.200 0.023 0.000 0.844 260 S HN 0.540 8.850 8.310 0.000 0.000 0.459 261 Y N 1.826 122.033 120.300 -0.155 0.000 2.114 261 Y HA -0.049 4.502 4.550 0.001 0.000 0.284 261 Y C 1.942 177.736 175.900 -0.177 0.000 1.143 261 Y CA 1.804 59.734 58.100 -0.284 0.000 1.135 261 Y CB -0.581 37.548 38.460 -0.552 0.000 0.980 261 Y HN 0.228 8.508 8.280 0.000 0.000 0.499 262 L N 0.128 121.298 121.223 -0.088 0.000 2.083 262 L HA -0.223 4.117 4.340 0.001 0.000 0.209 262 L C 1.894 178.663 176.870 -0.168 0.000 1.083 262 L CA 1.791 56.550 54.840 -0.134 0.000 0.752 262 L CB -0.385 41.690 42.059 0.027 0.000 0.899 262 L HN 0.166 8.396 8.230 0.000 0.000 0.433 263 K N -0.874 119.457 120.400 -0.116 0.000 2.372 263 K HA 0.026 4.346 4.320 0.001 0.000 0.200 263 K C -0.145 176.391 176.600 -0.107 0.000 1.022 263 K CA -0.028 56.203 56.287 -0.092 0.000 1.125 263 K CB 0.324 32.795 32.500 -0.048 0.000 0.855 263 K HN 0.000 8.250 8.250 0.000 0.000 0.524 264 D N 1.206 121.511 120.400 -0.158 0.000 2.689 264 D HA -0.183 4.457 4.640 0.001 0.000 0.237 264 D C 0.307 176.559 176.300 -0.080 0.000 1.148 264 D CA 0.346 54.262 54.000 -0.140 0.000 0.656 264 D CB -1.125 39.595 40.800 -0.134 0.000 1.050 264 D HN 0.247 8.617 8.370 0.000 0.000 0.426 265 L N 0.407 121.594 121.223 -0.061 0.000 2.313 265 L HA 0.015 4.356 4.340 0.001 0.000 0.214 265 L C 1.653 178.510 176.870 -0.023 0.000 1.119 265 L CA 0.862 55.682 54.840 -0.033 0.000 0.809 265 L CB -0.294 41.753 42.059 -0.020 0.000 0.933 265 L HN 0.233 8.463 8.230 0.000 0.000 0.449 266 K N 0.214 120.599 120.400 -0.025 0.000 3.069 266 K HA -0.183 4.138 4.320 0.001 0.000 0.267 266 K C -0.152 176.451 176.600 0.005 0.000 1.082 266 K CA 0.640 56.921 56.287 -0.011 0.000 0.782 266 K CB -1.532 30.961 32.500 -0.012 0.000 1.230 266 K HN 0.362 8.612 8.250 0.000 0.000 0.488 267 K N 0.910 121.315 120.400 0.008 0.000 2.355 267 K HA 0.177 4.497 4.320 0.001 0.000 0.270 267 K C 0.394 177.010 176.600 0.027 0.000 1.003 267 K CA -0.230 56.068 56.287 0.017 0.000 0.957 267 K CB 0.954 33.464 32.500 0.016 0.000 0.939 267 K HN -0.084 8.166 8.250 0.000 0.000 0.482 268 V N 5.428 125.361 119.914 0.032 0.000 2.408 268 V HA 0.254 4.375 4.120 0.001 0.000 0.267 268 V C -0.079 176.034 176.094 0.031 0.000 1.047 268 V CA -0.324 62.003 62.300 0.045 0.000 0.937 268 V CB 0.013 31.875 31.823 0.065 0.000 0.999 268 V HN 0.522 8.712 8.190 0.000 0.000 0.472 269 L N 5.830 127.074 121.223 0.035 0.000 2.455 269 L HA 0.591 4.932 4.340 0.001 0.000 0.264 269 L C -0.605 176.282 176.870 0.028 0.000 0.968 269 L CA -0.585 54.265 54.840 0.018 0.000 0.827 269 L CB 2.628 44.704 42.059 0.028 0.000 1.317 269 L HN 0.429 8.659 8.230 0.000 0.000 0.407 270 I N 2.062 122.633 120.570 0.002 0.000 2.396 270 I HA 0.320 4.491 4.170 0.001 0.000 0.289 270 I C -0.446 175.687 176.117 0.027 0.000 1.056 270 I CA 0.023 61.338 61.300 0.024 0.000 1.365 270 I CB 0.617 38.616 38.000 -0.000 0.000 1.407 270 I HN 0.542 8.752 8.210 0.000 0.000 0.509 271 C N 3.349 122.680 119.300 0.051 0.000 3.171 271 C HA 0.392 4.853 4.460 0.001 0.000 0.308 271 C C 0.290 175.324 174.990 0.074 0.000 1.334 271 C CA -0.799 58.251 59.018 0.053 0.000 1.473 271 C CB 1.995 29.777 27.740 0.070 0.000 1.866 271 C HN 0.701 8.931 8.230 0.000 0.000 0.465 272 S N 0.886 116.639 115.700 0.089 0.000 2.499 272 S HA 0.606 5.077 4.470 0.001 0.000 0.275 272 S C -0.277 174.465 174.600 0.237 0.000 1.257 272 S CA 0.288 58.581 58.200 0.155 0.000 1.050 272 S CB 0.226 63.522 63.200 0.159 0.000 0.937 272 S HN 0.853 9.163 8.310 0.000 0.000 0.490 273 T N 3.992 118.616 114.554 0.117 0.000 2.868 273 T HA 0.434 4.784 4.350 0.001 0.000 0.306 273 T C -1.220 173.028 174.700 -0.753 0.000 1.224 273 T CA -0.715 61.265 62.100 -0.200 0.000 1.012 273 T CB 0.883 69.694 68.868 -0.095 0.000 1.221 273 T HN 0.539 8.779 8.240 0.000 0.000 0.499 274 L N 4.064 124.489 121.223 -1.331 0.000 2.477 274 L HA 0.448 4.788 4.340 0.001 0.000 0.272 274 L C -0.735 175.890 176.870 -0.407 0.000 1.157 274 L CA 0.355 54.517 54.840 -1.129 0.000 0.889 274 L CB -0.325 41.202 42.059 -0.887 0.000 1.158 274 L HN 0.526 8.756 8.230 0.000 0.000 0.473 275 L N 5.971 127.071 121.223 -0.204 0.000 2.312 275 L HA 0.364 4.705 4.340 0.001 0.000 0.281 275 L C 0.464 177.328 176.870 -0.010 0.000 1.070 275 L CA -0.186 54.641 54.840 -0.022 0.000 0.805 275 L CB 0.749 42.888 42.059 0.133 0.000 1.174 275 L HN 0.654 8.884 8.230 0.000 0.000 0.434 276 E N 1.880 122.075 120.200 -0.008 0.000 3.306 276 E HA 0.285 4.635 4.350 0.001 0.000 0.197 276 E C 0.700 177.296 176.600 -0.007 0.000 0.980 276 E CA 0.167 56.563 56.400 -0.006 0.000 1.259 276 E CB 1.056 30.741 29.700 -0.024 0.000 1.112 276 E HN 1.011 9.371 8.360 0.000 0.000 0.458 277 G N 0.815 109.621 108.800 0.010 0.000 2.480 277 G HA2 -0.221 3.739 3.960 0.001 0.000 0.193 277 G HA3 -0.221 3.739 3.960 0.001 0.000 0.193 277 G C 0.196 175.066 174.900 -0.050 0.000 1.004 277 G CA -0.784 44.306 45.100 -0.017 0.000 0.696 277 G HN 0.197 8.487 8.290 0.000 0.000 0.478 278 Q N -0.277 119.479 119.800 -0.072 0.000 2.315 278 Q HA 0.481 4.821 4.340 0.001 0.000 0.289 278 Q C 0.608 176.522 176.000 -0.144 0.000 1.044 278 Q CA 0.480 56.132 55.803 -0.252 0.000 0.920 278 Q CB -0.087 28.470 28.738 -0.302 0.000 1.214 278 Q HN 0.641 8.911 8.270 0.000 0.000 0.392 279 Y N 0.050 120.253 120.300 -0.161 0.000 4.753 279 Y HA -0.300 4.251 4.550 0.002 0.000 0.232 279 Y C 1.252 177.114 175.900 -0.063 0.000 1.029 279 Y CA 1.138 59.105 58.100 -0.222 0.000 1.996 279 Y CB -1.986 36.097 38.460 -0.628 0.000 1.602 279 Y HN 0.984 9.264 8.280 0.000 0.000 0.621 280 G N -1.312 107.488 108.800 0.000 0.000 2.159 280 G HA2 -0.301 3.659 3.960 0.001 0.000 0.256 280 G HA3 -0.301 3.659 3.960 0.001 0.000 0.256 280 G C -0.160 174.610 174.900 -0.216 0.000 0.977 280 G CA 0.255 45.295 45.100 -0.100 0.000 0.652 280 G HN 0.688 8.978 8.290 0.000 0.000 0.531 281 H N 0.174 119.305 119.070 0.102 0.000 2.469 281 H HA 0.699 5.255 4.556 0.000 0.000 0.342 281 H C -0.367 175.013 175.328 0.087 0.000 1.115 281 H CA 0.219 56.343 56.048 0.127 0.000 1.204 281 H CB 2.049 31.948 29.762 0.229 0.000 1.492 281 H HN 0.209 8.489 8.280 0.000 0.000 0.499 282 S N 1.981 117.784 115.700 0.171 0.000 2.627 282 S HA 0.286 4.757 4.470 0.001 0.000 0.283 282 S C -0.856 173.816 174.600 0.120 0.000 1.127 282 S CA -0.883 57.382 58.200 0.109 0.000 0.863 282 S CB 2.203 65.437 63.200 0.056 0.000 1.121 282 S HN 0.762 9.072 8.310 0.000 0.000 0.479 286 F N 3.467 123.436 119.950 0.031 0.000 2.397 286 F HA 0.869 5.397 4.527 0.000 0.000 0.331 286 F C 0.863 176.661 175.800 -0.003 0.000 1.090 286 F CA -0.098 57.912 58.000 0.017 0.000 1.065 286 F CB 1.906 40.903 39.000 -0.005 0.000 1.184 286 F HN 0.478 8.778 8.300 0.000 0.000 0.499 287 G N 0.242 109.132 108.800 0.149 0.000 2.704 287 G HA2 0.504 4.465 3.960 0.001 0.000 0.293 287 G HA3 0.504 4.465 3.960 0.001 0.000 0.293 287 G C -1.114 173.833 174.900 0.079 0.000 1.421 287 G CA -0.749 44.383 45.100 0.054 0.000 0.870 287 G HN 0.856 9.146 8.290 0.000 0.000 0.492 288 G N -0.578 108.229 108.800 0.011 0.000 2.355 288 G HA2 0.542 4.503 3.960 0.001 0.000 0.276 288 G HA3 0.542 4.503 3.960 0.001 0.000 0.276 288 G C -0.224 174.738 174.900 0.104 0.000 1.198 288 G CA 0.447 45.574 45.100 0.046 0.000 0.876 288 G HN 0.836 9.126 8.290 0.000 0.000 0.478 289 T N 3.065 117.697 114.554 0.130 0.000 2.885 289 T HA 0.574 4.925 4.350 0.001 0.000 0.322 289 T C -2.951 171.834 174.700 0.142 0.000 1.387 289 T CA -1.061 61.144 62.100 0.176 0.000 1.041 289 T CB 2.293 71.336 68.868 0.291 0.000 1.287 289 T HN 0.293 8.533 8.240 0.000 0.000 0.491 290 P HA 0.295 4.715 4.420 0.000 0.000 0.264 290 P C -0.534 176.827 177.300 0.102 0.000 1.193 290 P CA -0.047 63.135 63.100 0.137 0.000 0.763 290 P CB 0.465 32.287 31.700 0.204 0.000 0.810 291 V N 1.442 121.405 119.914 0.083 0.000 3.102 291 V HA 0.594 4.715 4.120 0.001 0.000 0.312 291 V C -0.529 175.603 176.094 0.063 0.000 1.135 291 V CA -1.122 61.220 62.300 0.069 0.000 1.022 291 V CB 2.174 34.041 31.823 0.074 0.000 1.056 291 V HN 0.188 8.378 8.190 0.000 0.000 0.436 292 V N 3.359 123.305 119.914 0.053 0.000 2.370 292 V HA 0.479 4.600 4.120 0.001 0.000 0.279 292 V C -0.132 175.990 176.094 0.045 0.000 1.029 292 V CA -0.354 61.972 62.300 0.043 0.000 0.870 292 V CB 1.128 32.969 31.823 0.030 0.000 0.984 292 V HN 0.737 8.927 8.190 0.000 0.000 0.451 293 L N 5.134 126.381 121.223 0.040 0.000 2.287 293 L HA 0.856 5.197 4.340 0.001 0.000 0.287 293 L C 0.648 177.512 176.870 -0.009 0.000 1.022 293 L CA 0.020 54.879 54.840 0.032 0.000 0.814 293 L CB 1.438 43.529 42.059 0.053 0.000 1.217 293 L HN 0.807 9.037 8.230 0.000 0.000 0.420 294 G N 0.797 109.576 108.800 -0.036 0.000 3.021 294 G HA2 0.509 4.470 3.960 0.001 0.000 0.290 294 G HA3 0.509 4.470 3.960 0.001 0.000 0.290 294 G C 0.480 175.256 174.900 -0.207 0.000 1.291 294 G CA 0.180 45.221 45.100 -0.099 0.000 0.834 294 G HN 0.530 8.820 8.290 0.000 0.000 0.564 295 A N -0.348 122.311 122.820 -0.268 0.000 2.024 295 A HA -0.039 4.282 4.320 0.001 0.000 0.220 295 A C 1.637 179.078 177.584 -0.238 0.000 1.164 295 A CA 1.627 53.418 52.037 -0.409 0.000 0.643 295 A CB -0.357 18.484 19.000 -0.266 0.000 0.806 295 A HN 0.439 8.589 8.150 0.000 0.000 0.451 296 N N -0.360 118.297 118.700 -0.072 0.000 2.313 296 N HA 0.261 5.002 4.740 0.001 0.000 0.207 296 N C 1.096 176.680 175.510 0.125 0.000 1.141 296 N CA 0.929 54.002 53.050 0.038 0.000 0.830 296 N CB 0.388 38.889 38.487 0.023 0.000 1.008 296 N HN 0.615 8.995 8.380 0.000 0.000 0.481 297 G N 0.495 109.389 108.800 0.157 0.000 2.527 297 G HA2 -0.305 3.656 3.960 0.001 0.000 0.262 297 G HA3 -0.305 3.656 3.960 0.001 0.000 0.262 297 G C -0.364 174.610 174.900 0.123 0.000 1.153 297 G CA -0.229 44.944 45.100 0.121 0.000 0.954 297 G HN 0.077 8.367 8.290 0.000 0.000 0.552 298 V N 2.999 123.040 119.914 0.211 0.000 2.381 298 V HA 0.310 4.431 4.120 0.001 0.000 0.257 298 V C 0.955 177.098 176.094 0.081 0.000 1.057 298 V CA 0.623 63.006 62.300 0.138 0.000 1.013 298 V CB 0.268 32.165 31.823 0.124 0.000 1.069 298 V HN 0.561 8.751 8.190 0.000 0.000 0.484 302 V N 3.361 123.278 119.914 0.005 0.000 2.350 302 V HA 0.458 4.579 4.120 0.001 0.000 0.276 302 V C -0.176 175.916 176.094 -0.004 0.000 1.028 302 V CA -0.368 61.936 62.300 0.007 0.000 0.860 302 V CB 0.992 32.808 31.823 -0.011 0.000 0.990 302 V HN 0.589 8.779 8.190 0.000 0.000 0.453 303 I N 4.355 124.935 120.570 0.018 0.000 2.315 303 I HA 0.338 4.509 4.170 0.001 0.000 0.291 303 I C 0.425 176.529 176.117 -0.022 0.000 1.006 303 I CA -0.100 61.200 61.300 0.001 0.000 1.265 303 I CB 1.199 39.219 38.000 0.033 0.000 1.387 303 I HN 0.657 8.867 8.210 0.000 0.000 0.475 304 E N 7.685 127.810 120.200 -0.125 0.000 2.081 304 E HA 0.336 4.687 4.350 0.001 0.000 0.281 304 E C -0.827 175.646 176.600 -0.212 0.000 0.986 304 E CA -0.696 55.512 56.400 -0.320 0.000 0.796 304 E CB 0.877 30.275 29.700 -0.504 0.000 1.085 304 E HN 0.530 8.890 8.360 0.000 0.000 0.398 305 L N 4.288 125.468 121.223 -0.071 0.000 2.490 305 L HA -0.001 4.339 4.340 0.001 0.000 0.274 305 L C 0.710 177.572 176.870 -0.012 0.000 1.201 305 L CA 0.355 55.160 54.840 -0.058 0.000 0.869 305 L CB 0.417 42.350 42.059 -0.210 0.000 1.123 305 L HN 0.577 8.807 8.230 0.000 0.000 0.484 306 Q N 4.171 124.004 119.800 0.055 0.000 3.184 306 Q HA 0.249 4.590 4.340 0.001 0.000 0.288 306 Q C -0.559 175.525 176.000 0.141 0.000 1.412 306 Q CA -0.177 55.661 55.803 0.058 0.000 0.991 306 Q CB -0.010 28.756 28.738 0.046 0.000 1.688 306 Q HN 0.488 8.758 8.270 0.000 0.000 0.554 307 L N 2.017 123.325 121.223 0.140 0.000 2.485 307 L HA -0.020 4.320 4.340 0.001 0.000 0.275 307 L C 0.853 177.794 176.870 0.119 0.000 1.207 307 L CA -0.297 54.645 54.840 0.170 0.000 0.855 307 L CB -0.121 42.026 42.059 0.146 0.000 1.114 307 L HN 0.530 8.760 8.230 0.000 0.000 0.485 308 N N 0.465 119.238 118.700 0.121 0.000 2.327 308 N HA 0.011 4.751 4.740 0.001 0.000 0.257 308 N C 0.709 176.267 175.510 0.079 0.000 1.281 308 N CA -0.252 52.847 53.050 0.082 0.000 0.942 308 N CB 0.495 39.024 38.487 0.069 0.000 1.199 308 N HN 0.491 8.871 8.380 0.000 0.000 0.532 309 S N -0.815 114.922 115.700 0.062 0.000 2.370 309 S HA -0.165 4.305 4.470 0.001 0.000 0.226 309 S C 1.204 175.847 174.600 0.071 0.000 1.033 309 S CA 1.291 59.527 58.200 0.060 0.000 1.011 309 S CB -0.462 62.765 63.200 0.046 0.000 0.852 309 S HN 0.613 8.923 8.310 0.000 0.000 0.457 310 E N 1.037 121.279 120.200 0.071 0.000 2.072 310 E HA -0.058 4.293 4.350 0.001 0.000 0.190 310 E C 2.080 178.734 176.600 0.089 0.000 0.982 310 E CA 1.235 57.679 56.400 0.074 0.000 0.803 310 E CB -0.207 29.533 29.700 0.067 0.000 0.755 310 E HN 0.618 8.978 8.360 0.000 0.000 0.453 311 E N 0.730 120.993 120.200 0.104 0.000 2.077 311 E HA -0.159 4.192 4.350 0.001 0.000 0.193 311 E C 1.883 178.565 176.600 0.137 0.000 0.989 311 E CA 1.019 57.492 56.400 0.122 0.000 0.800 311 E CB -0.047 29.742 29.700 0.148 0.000 0.746 311 E HN 0.132 8.492 8.360 0.000 0.000 0.452 312 K N 0.459 120.938 120.400 0.131 0.000 2.103 312 K HA -0.132 4.189 4.320 0.001 0.000 0.207 312 K C 2.214 178.925 176.600 0.185 0.000 1.048 312 K CA 1.055 57.436 56.287 0.157 0.000 0.930 312 K CB -0.150 32.422 32.500 0.121 0.000 0.716 312 K HN 0.070 8.320 8.250 0.000 0.000 0.444 313 A N 1.836 124.735 122.820 0.131 0.000 1.902 313 A HA -0.180 4.140 4.320 0.001 0.000 0.217 313 A C 1.884 179.531 177.584 0.105 0.000 1.181 313 A CA 1.452 53.556 52.037 0.112 0.000 0.623 313 A CB -0.180 18.868 19.000 0.079 0.000 0.818 313 A HN 0.068 8.218 8.150 0.000 0.000 0.443 314 K N -0.984 119.474 120.400 0.096 0.000 2.057 314 K HA -0.070 4.251 4.320 0.001 0.000 0.206 314 K C 1.672 178.297 176.600 0.041 0.000 1.050 314 K CA 1.169 57.490 56.287 0.056 0.000 0.935 314 K CB -0.871 31.656 32.500 0.045 0.000 0.715 314 K HN 0.544 8.794 8.250 0.000 0.000 0.439 315 F N 2.895 122.815 119.950 -0.050 0.000 2.095 315 F HA -0.248 4.280 4.527 0.001 0.000 0.298 315 F C 1.642 177.387 175.800 -0.092 0.000 1.104 315 F CA 1.733 59.663 58.000 -0.116 0.000 1.232 315 F CB -0.037 38.867 39.000 -0.161 0.000 0.987 315 F HN 0.057 8.357 8.300 0.000 0.000 0.475 316 D N 0.237 120.782 120.400 0.241 0.000 2.123 316 D HA -0.190 4.450 4.640 0.001 0.000 0.196 316 D C 2.143 178.462 176.300 0.030 0.000 0.992 316 D CA 1.555 55.682 54.000 0.211 0.000 0.833 316 D CB -0.476 40.480 40.800 0.259 0.000 0.954 316 D HN 0.493 8.863 8.370 0.000 0.000 0.455 317 E N 0.381 120.582 120.200 0.000 0.000 2.110 317 E HA -0.122 4.228 4.350 0.001 0.000 0.193 317 E C 2.076 178.613 176.600 -0.106 0.000 0.988 317 E CA 0.916 57.295 56.400 -0.036 0.000 0.804 317 E CB -0.005 29.680 29.700 -0.026 0.000 0.745 317 E HN 0.207 8.567 8.360 0.000 0.000 0.458 318 A N 1.434 124.138 122.820 -0.194 0.000 1.873 318 A HA -0.158 4.162 4.320 0.001 0.000 0.215 318 A C 2.117 179.529 177.584 -0.287 0.000 1.186 318 A CA 0.948 52.824 52.037 -0.269 0.000 0.616 318 A CB -0.375 18.386 19.000 -0.399 0.000 0.823 318 A HN 0.113 8.263 8.150 0.000 0.000 0.442 319 I N 0.205 120.544 120.570 -0.385 0.000 2.286 319 I HA -0.242 3.929 4.170 0.001 0.000 0.248 319 I C 2.876 178.904 176.117 -0.148 0.000 1.115 319 I CA 1.397 62.496 61.300 -0.336 0.000 1.392 319 I CB -1.564 36.094 38.000 -0.570 0.000 1.065 319 I HN 0.372 8.582 8.210 0.000 0.000 0.418 320 A N 0.302 123.067 122.820 -0.091 0.000 1.972 320 A HA -0.180 4.140 4.320 0.001 0.000 0.219 320 A C 2.212 179.771 177.584 -0.042 0.000 1.169 320 A CA 1.318 53.339 52.037 -0.027 0.000 0.635 320 A CB -0.356 18.642 19.000 -0.004 0.000 0.810 320 A HN 0.345 8.495 8.150 0.000 0.000 0.446 321 E N -0.417 119.740 120.200 -0.072 0.000 2.072 321 E HA -0.108 4.242 4.350 0.001 0.000 0.191 321 E C 2.176 178.738 176.600 -0.064 0.000 0.985 321 E CA 1.664 58.022 56.400 -0.070 0.000 0.801 321 E CB -0.746 28.901 29.700 -0.090 0.000 0.750 321 E HN 0.594 8.954 8.360 0.000 0.000 0.452 322 T N 1.374 115.883 114.554 -0.074 0.000 2.684 322 T HA -0.184 4.166 4.350 0.001 0.000 0.267 322 T C 1.972 176.658 174.700 -0.024 0.000 1.036 322 T CA 1.875 63.945 62.100 -0.051 0.000 1.148 322 T CB -0.116 68.718 68.868 -0.056 0.000 0.863 322 T HN 0.084 8.324 8.240 0.000 0.000 0.436 323 K N 1.036 121.427 120.400 -0.015 0.000 2.057 323 K HA -0.052 4.269 4.320 0.001 0.000 0.207 323 K C 2.453 179.055 176.600 0.003 0.000 1.049 323 K CA 1.124 57.417 56.287 0.011 0.000 0.931 323 K CB -0.098 32.420 32.500 0.031 0.000 0.714 323 K HN 0.150 8.400 8.250 0.000 0.000 0.440 324 R N 0.151 120.645 120.500 -0.009 0.000 2.080 324 R HA -0.135 4.206 4.340 0.001 0.000 0.236 324 R C 2.178 178.467 176.300 -0.018 0.000 1.137 324 R CA 2.173 58.266 56.100 -0.013 0.000 0.943 324 R CB -0.214 30.073 30.300 -0.022 0.000 0.846 324 R HN 0.274 8.544 8.270 0.000 0.000 0.431 325 M N 0.263 119.847 119.600 -0.027 0.000 2.229 325 M HA -0.124 4.357 4.480 0.001 0.000 0.264 325 M C 2.371 178.659 176.300 -0.019 0.000 1.063 325 M CA 1.421 56.703 55.300 -0.030 0.000 1.114 325 M CB -0.177 32.398 32.600 -0.042 0.000 1.387 325 M HN 0.129 8.419 8.290 0.000 0.000 0.420 326 K N 0.888 121.282 120.400 -0.010 0.000 2.103 326 K HA -0.150 4.171 4.320 0.001 0.000 0.207 326 K C 1.889 178.492 176.600 0.004 0.000 1.048 326 K CA 1.519 57.807 56.287 0.002 0.000 0.930 326 K CB -0.045 32.464 32.500 0.016 0.000 0.716 326 K HN 0.289 8.539 8.250 0.000 0.000 0.444 327 A N 0.851 123.673 122.820 0.003 0.000 1.969 327 A HA -0.056 4.265 4.320 0.001 0.000 0.218 327 A C 1.981 179.563 177.584 -0.003 0.000 1.169 327 A CA 0.982 53.020 52.037 0.003 0.000 0.635 327 A CB -0.329 18.673 19.000 0.003 0.000 0.810 327 A HN 0.304 8.454 8.150 0.000 0.000 0.445 328 L N -0.955 120.262 121.223 -0.010 0.000 2.270 328 L HA 0.098 4.439 4.340 0.001 0.000 0.210 328 L C 1.849 178.709 176.870 -0.016 0.000 1.104 328 L CA 0.201 55.032 54.840 -0.016 0.000 0.804 328 L CB -0.590 41.454 42.059 -0.025 0.000 0.937 328 L HN 0.417 8.647 8.230 0.000 0.000 0.450 329 A N 0.000 122.812 122.820 -0.013 0.000 2.254 329 A HA 0.000 4.321 4.320 0.001 0.000 0.244 329 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 329 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 329 A HN 0.000 8.150 8.150 0.000 0.000 0.486