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 2kxp_1_A DATA FIRST_RESID 7 DATA SEQUENCE RVSDEEKVRI AAKFITHAPP GEFNEVFNDV RLLLNNDNLL REGAAHAFAQ DATA SEQUENCE YNMDQFTPVK IEGYDDQVLI TEHGDLGNGR FLDPRNKISF KFDHLRKEAS DATA SEQUENCE DPQPEDTESA LKQWRDACDS ALRAYVKDHY PNGFCTVYGK SIDGQQTIIA DATA SEQUENCE CIESHQFQPK NFWNGRWRSE WKFTITPPTA QVAAVLKIQV HYYEDGNVQL DATA SEQUENCE VSHKDIQDSV QVSSDVQTAK EFIKIIENAE NEYQTAISEN YQTMSDTTFK DATA SEQUENCE ALRRQLPVTR TKIDWNKILS YKIGK 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 7 R HA 0.000 4.328 4.340 -0.019 0.000 0.208 7 R C 0.000 176.285 176.300 -0.024 0.000 0.893 7 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 7 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 8 V N 4.519 124.416 119.914 -0.028 0.000 2.519 8 V HA -0.002 4.279 4.120 -0.036 -0.182 0.258 8 V C -0.128 175.943 176.094 -0.038 0.000 0.989 8 V CA 0.213 62.492 62.300 -0.036 0.000 1.170 8 V CB -0.509 31.289 31.823 -0.042 0.000 1.066 8 V HN 0.311 8.485 8.190 -0.027 0.000 0.469 9 S N 5.986 121.665 115.700 -0.036 0.000 2.553 9 S HA -0.229 4.222 4.470 -0.031 0.000 0.271 9 S C 0.956 175.531 174.600 -0.043 0.000 1.362 9 S CA 1.289 59.468 58.200 -0.035 0.000 1.010 9 S CB 1.438 64.619 63.200 -0.033 0.000 0.865 9 S HN -0.137 8.153 8.310 -0.033 0.000 0.543 10 D N 0.990 121.367 120.400 -0.039 0.000 2.178 10 D HA -0.279 4.331 4.640 -0.049 0.000 0.201 10 D C 2.160 178.429 176.300 -0.051 0.000 0.980 10 D CA 3.337 57.310 54.000 -0.044 0.000 0.842 10 D CB -0.474 40.304 40.800 -0.036 0.000 0.948 10 D HN 0.444 8.794 8.370 -0.034 0.000 0.472 11 E N 0.045 120.217 120.200 -0.046 0.000 2.110 11 E HA -0.372 3.949 4.350 -0.049 0.000 0.193 11 E C 2.065 178.627 176.600 -0.064 0.000 0.988 11 E CA 3.372 59.742 56.400 -0.050 0.000 0.804 11 E CB -0.381 29.293 29.700 -0.042 0.000 0.745 11 E HN 0.326 8.645 8.360 -0.040 0.017 0.458 12 E N -1.323 118.838 120.200 -0.065 0.000 2.072 12 E HA -0.285 4.017 4.350 -0.079 0.000 0.191 12 E C 2.585 179.120 176.600 -0.109 0.000 0.985 12 E CA 2.808 59.161 56.400 -0.079 0.000 0.801 12 E CB -0.396 29.264 29.700 -0.068 0.000 0.750 12 E HN 0.268 8.496 8.360 -0.056 0.098 0.452 13 K N -0.459 119.879 120.400 -0.103 0.000 2.097 13 K HA -0.271 3.957 4.320 -0.153 0.000 0.206 13 K C 2.546 179.055 176.600 -0.151 0.000 1.049 13 K CA 3.203 59.412 56.287 -0.129 0.000 0.933 13 K CB -0.097 32.343 32.500 -0.100 0.000 0.717 13 K HN -0.677 7.446 8.250 -0.082 0.077 0.442 14 V N -0.295 119.550 119.914 -0.115 0.000 2.358 14 V HA -0.433 3.621 4.120 -0.109 0.000 0.246 14 V C 2.003 178.021 176.094 -0.127 0.000 1.047 14 V CA 4.096 66.333 62.300 -0.105 0.000 1.035 14 V CB -0.637 31.146 31.823 -0.067 0.000 0.658 14 V HN -0.017 8.018 8.190 -0.094 0.099 0.452 15 R N -0.887 119.537 120.500 -0.127 0.000 2.096 15 R HA -0.325 3.954 4.340 -0.102 0.000 0.235 15 R C 2.867 179.035 176.300 -0.220 0.000 1.127 15 R CA 3.506 59.525 56.100 -0.134 0.000 0.968 15 R CB -0.259 29.975 30.300 -0.110 0.000 0.861 15 R HN -0.642 7.560 8.270 -0.113 0.000 0.440 16 I N -0.776 119.615 120.570 -0.300 0.000 2.202 16 I HA -0.359 3.484 4.170 -0.544 0.000 0.242 16 I C 1.810 177.490 176.117 -0.728 0.000 1.091 16 I CA 1.926 62.899 61.300 -0.545 0.000 1.368 16 I CB -1.297 36.383 38.000 -0.533 0.000 1.058 16 I HN -0.358 7.696 8.210 -0.244 0.008 0.410 17 A N -0.853 121.687 122.820 -0.467 0.000 1.972 17 A HA -0.338 3.738 4.320 -0.407 0.000 0.219 17 A C 1.949 179.402 177.584 -0.217 0.000 1.169 17 A CA 3.216 55.045 52.037 -0.348 0.000 0.635 17 A CB -0.961 17.901 19.000 -0.231 0.000 0.810 17 A HN -0.001 7.938 8.150 -0.352 0.000 0.446 18 A N -1.667 121.054 122.820 -0.165 0.000 1.930 18 A HA -0.314 4.014 4.320 0.013 0.000 0.217 18 A C 1.536 179.104 177.584 -0.026 0.000 1.175 18 A CA 2.900 54.912 52.037 -0.043 0.000 0.627 18 A CB -0.604 18.390 19.000 -0.010 0.000 0.815 18 A HN 0.036 7.968 8.150 -0.191 0.103 0.443 19 K N -1.087 119.212 120.400 -0.168 0.000 2.057 19 K HA -0.214 3.960 4.320 -0.244 0.000 0.206 19 K C 1.433 177.926 176.600 -0.179 0.000 1.050 19 K CA 2.773 58.876 56.287 -0.307 0.000 0.935 19 K CB -0.122 32.132 32.500 -0.410 0.000 0.715 19 K HN -0.608 7.399 8.250 -0.255 0.090 0.439 20 F N -4.172 115.639 119.950 -0.232 0.000 2.146 20 F HA -0.231 4.223 4.527 -0.121 0.000 0.298 20 F C 2.574 178.331 175.800 -0.073 0.000 1.096 20 F CA 0.855 58.770 58.000 -0.141 0.000 1.275 20 F CB -0.409 38.504 39.000 -0.145 0.000 1.008 20 F HN -0.540 7.657 8.300 -0.172 0.000 0.480 21 I N -1.088 119.545 120.570 0.104 0.000 2.202 21 I HA -0.459 3.561 4.170 -0.251 0.000 0.242 21 I C 1.762 177.968 176.117 0.149 0.000 1.091 21 I CA 3.858 65.122 61.300 -0.059 0.000 1.368 21 I CB -0.030 37.925 38.000 -0.075 0.000 1.058 21 I HN -0.208 8.048 8.210 0.077 0.000 0.410 22 T N -4.188 110.570 114.554 0.341 0.000 3.215 22 T HA -0.164 4.555 4.350 0.614 0.000 0.254 22 T C -0.031 175.064 174.700 0.659 0.000 1.149 22 T CA 1.529 63.951 62.100 0.537 0.000 1.042 22 T CB -0.444 68.699 68.868 0.460 0.000 0.966 22 T HN 0.172 8.459 8.240 0.261 0.109 0.534 23 H N 0.026 119.238 119.070 0.235 0.000 2.662 23 H HA 0.167 4.853 4.556 0.216 0.000 0.268 23 H C -0.999 174.428 175.328 0.166 0.000 1.152 23 H CA -1.202 54.965 56.048 0.200 0.000 1.072 23 H CB 0.579 30.441 29.762 0.168 0.000 1.660 23 H HN -0.674 7.638 8.280 0.451 0.239 0.584 24 A N 2.429 125.411 122.820 0.270 0.000 2.371 24 A HA 0.180 4.543 4.320 0.071 0.000 0.257 24 A C -2.460 175.284 177.584 0.267 0.000 1.089 24 A CA -1.455 50.669 52.037 0.144 0.000 0.794 24 A CB -0.726 18.235 19.000 -0.065 0.000 1.029 24 A HN -0.638 7.635 8.150 0.307 0.061 0.488 25 P HA 0.183 4.739 4.420 0.226 0.000 0.273 25 P C -2.446 174.998 177.300 0.241 0.000 1.250 25 P CA -1.486 61.726 63.100 0.187 0.000 0.793 25 P CB -0.507 31.229 31.700 0.060 0.000 1.011 26 P HA -0.088 4.497 4.420 0.275 0.000 0.276 26 P C 0.075 177.465 177.300 0.150 0.000 1.264 26 P CA -0.238 62.993 63.100 0.218 0.000 0.769 26 P CB 0.005 31.830 31.700 0.209 0.000 0.840 27 G N 4.534 113.407 108.800 0.123 0.000 2.130 27 G HA2 -0.289 3.660 3.960 -0.019 0.000 0.216 27 G HA3 -0.289 3.696 3.960 0.042 0.000 0.216 27 G C -0.512 174.401 174.900 0.022 0.000 0.999 27 G CA 0.282 45.404 45.100 0.037 0.000 0.686 27 G HN 0.115 8.521 8.290 0.192 0.000 0.515 28 E N -2.504 117.729 120.200 0.055 0.000 3.586 28 E HA 0.139 4.664 4.350 -0.015 -0.184 0.175 28 E C -1.059 175.528 176.600 -0.022 0.000 0.980 28 E CA -1.190 55.208 56.400 -0.004 0.000 1.391 28 E CB 1.002 30.663 29.700 -0.064 0.000 1.101 28 E HN -0.725 7.711 8.360 0.127 0.000 0.440 29 F N 2.496 122.340 119.950 -0.176 0.000 2.128 29 F HA -0.270 4.003 4.527 -0.423 0.000 0.295 29 F C 0.726 176.396 175.800 -0.217 0.000 1.100 29 F CA 4.616 62.398 58.000 -0.363 0.000 1.260 29 F CB 0.426 39.051 39.000 -0.626 0.000 1.009 29 F HN 0.302 8.684 8.300 0.138 0.000 0.476 30 N N -0.869 117.812 118.700 -0.032 0.000 2.025 30 N HA -0.449 4.261 4.740 -0.051 0.000 0.194 30 N C 1.465 176.948 175.510 -0.046 0.000 1.044 30 N CA 4.058 57.089 53.050 -0.033 0.000 0.851 30 N CB -0.926 37.577 38.487 0.027 0.000 1.036 30 N HN 0.133 8.564 8.380 0.083 0.000 0.422 31 E N -0.817 119.355 120.200 -0.047 0.000 2.086 31 E HA -0.333 4.010 4.350 -0.011 0.000 0.205 31 E C 2.265 178.811 176.600 -0.090 0.000 1.027 31 E CA 3.697 60.072 56.400 -0.043 0.000 0.830 31 E CB -0.653 29.028 29.700 -0.032 0.000 0.751 31 E HN 0.166 8.505 8.360 -0.035 0.000 0.456 32 V N -0.159 119.657 119.914 -0.163 0.000 2.343 32 V HA -0.369 3.653 4.120 -0.163 0.000 0.247 32 V C 1.825 177.777 176.094 -0.238 0.000 1.051 32 V CA 3.783 65.958 62.300 -0.208 0.000 1.036 32 V CB -0.263 31.403 31.823 -0.262 0.000 0.654 32 V HN -0.815 7.270 8.190 -0.176 0.000 0.451 33 F N 1.985 121.647 119.950 -0.479 0.000 2.069 33 F HA -0.504 3.759 4.527 -0.439 0.000 0.298 33 F C 1.268 176.940 175.800 -0.213 0.000 1.113 33 F CA 4.226 61.967 58.000 -0.433 0.000 1.214 33 F CB 0.128 38.806 39.000 -0.537 0.000 0.978 33 F HN 0.423 8.349 8.300 -0.320 0.182 0.474 34 N N -1.383 117.348 118.700 0.052 0.000 2.166 34 N HA -0.363 4.411 4.740 0.055 0.000 0.186 34 N C 2.349 177.798 175.510 -0.101 0.000 1.019 34 N CA 3.043 56.101 53.050 0.014 0.000 0.856 34 N CB -0.900 37.623 38.487 0.060 0.000 0.993 34 N HN 0.452 8.790 8.380 0.114 0.111 0.426 35 D N 0.525 120.858 120.400 -0.111 0.000 2.117 35 D HA -0.186 4.410 4.640 -0.074 0.000 0.197 35 D C 2.446 178.670 176.300 -0.128 0.000 0.987 35 D CA 3.290 57.229 54.000 -0.102 0.000 0.829 35 D CB -0.308 40.433 40.800 -0.098 0.000 0.961 35 D HN -0.139 8.078 8.370 -0.103 0.092 0.460 36 V N 0.340 120.135 119.914 -0.198 0.000 2.358 36 V HA -0.432 3.637 4.120 -0.085 0.000 0.246 36 V C 1.477 177.417 176.094 -0.257 0.000 1.047 36 V CA 3.808 65.986 62.300 -0.203 0.000 1.035 36 V CB -0.276 31.380 31.823 -0.279 0.000 0.658 36 V HN -0.023 7.942 8.190 -0.242 0.079 0.452 37 R N 0.487 120.762 120.500 -0.374 0.000 2.080 37 R HA -0.410 3.742 4.340 -0.313 0.000 0.236 37 R C 2.489 178.699 176.300 -0.151 0.000 1.137 37 R CA 4.238 60.160 56.100 -0.297 0.000 0.943 37 R CB -0.152 29.977 30.300 -0.284 0.000 0.846 37 R HN -0.104 7.879 8.270 -0.478 0.000 0.431 38 L N -2.208 118.948 121.223 -0.112 0.000 2.127 38 L HA -0.271 4.037 4.340 -0.052 0.000 0.211 38 L C 2.174 179.007 176.870 -0.061 0.000 1.089 38 L CA 2.839 57.639 54.840 -0.066 0.000 0.757 38 L CB -0.107 41.924 42.059 -0.047 0.000 0.899 38 L HN -0.341 7.814 8.230 -0.124 0.000 0.434 39 L N -3.313 117.867 121.223 -0.071 0.000 2.044 39 L HA -0.279 4.038 4.340 -0.037 0.000 0.205 39 L C 1.788 178.622 176.870 -0.061 0.000 1.075 39 L CA 2.240 57.050 54.840 -0.051 0.000 0.747 39 L CB 0.274 42.316 42.059 -0.030 0.000 0.903 39 L HN -0.590 7.480 8.230 -0.091 0.106 0.435 40 L N -3.617 117.552 121.223 -0.091 0.000 2.131 40 L HA -0.189 4.098 4.340 -0.088 0.000 0.210 40 L C -0.036 176.791 176.870 -0.072 0.000 1.092 40 L CA 1.364 56.147 54.840 -0.094 0.000 0.759 40 L CB 0.564 42.545 42.059 -0.129 0.000 0.903 40 L HN 0.405 8.443 8.230 -0.114 0.124 0.435 41 N N -1.697 116.963 118.700 -0.068 0.000 2.714 41 N HA -0.316 4.397 4.740 -0.045 0.000 0.252 41 N C -1.495 173.989 175.510 -0.043 0.000 1.014 41 N CA 1.443 54.464 53.050 -0.048 0.000 0.735 41 N CB -1.399 37.066 38.487 -0.037 0.000 0.924 41 N HN -0.130 8.183 8.380 -0.079 0.020 0.540 42 N N -2.913 115.758 118.700 -0.049 0.000 3.111 42 N HA 0.031 4.755 4.740 -0.027 0.000 0.200 42 N C -1.348 174.142 175.510 -0.034 0.000 1.464 42 N CA -0.136 52.891 53.050 -0.037 0.000 0.758 42 N CB 1.883 40.346 38.487 -0.040 0.000 1.548 42 N HN -0.560 7.783 8.380 -0.062 0.000 0.595 43 D N 3.854 124.243 120.400 -0.019 0.000 2.158 43 D HA -0.405 4.232 4.640 -0.004 0.000 0.197 43 D C 1.433 177.737 176.300 0.008 0.000 0.995 43 D CA 3.649 57.649 54.000 0.000 0.000 0.846 43 D CB -0.282 40.529 40.800 0.018 0.000 0.941 43 D HN 0.623 8.983 8.370 -0.016 0.000 0.456 44 N N -1.185 117.516 118.700 0.001 0.000 2.094 44 N HA -0.301 4.446 4.740 0.011 0.000 0.191 44 N C 1.966 177.477 175.510 0.002 0.000 1.023 44 N CA 2.619 55.671 53.050 0.004 0.000 0.857 44 N CB -0.349 38.136 38.487 -0.002 0.000 1.013 44 N HN 0.142 8.506 8.380 -0.004 0.013 0.426 45 L N -1.007 120.209 121.223 -0.012 0.000 2.179 45 L HA -0.134 4.199 4.340 -0.011 0.000 0.208 45 L C 1.277 178.138 176.870 -0.014 0.000 1.096 45 L CA 1.981 56.810 54.840 -0.018 0.000 0.779 45 L CB -0.252 41.785 42.059 -0.037 0.000 0.922 45 L HN -0.451 7.673 8.230 -0.018 0.095 0.443 46 L N -1.031 120.181 121.223 -0.018 0.000 2.083 46 L HA -0.405 3.907 4.340 -0.046 0.000 0.209 46 L C 1.684 178.590 176.870 0.061 0.000 1.083 46 L CA 2.768 57.600 54.840 -0.012 0.000 0.752 46 L CB -0.114 41.921 42.059 -0.040 0.000 0.899 46 L HN -0.048 8.072 8.230 -0.023 0.097 0.433 47 R N -3.383 117.156 120.500 0.064 0.000 2.092 47 R HA -0.271 4.133 4.340 0.107 0.000 0.231 47 R C 2.320 178.667 176.300 0.079 0.000 1.119 47 R CA 2.822 58.969 56.100 0.078 0.000 0.970 47 R CB -0.158 30.174 30.300 0.053 0.000 0.864 47 R HN -0.085 8.201 8.270 0.043 0.010 0.440 48 E N 0.722 120.958 120.200 0.060 0.000 2.068 48 E HA -0.327 4.062 4.350 0.065 0.000 0.207 48 E C 0.606 177.281 176.600 0.125 0.000 1.032 48 E CA 2.375 58.814 56.400 0.066 0.000 0.839 48 E CB -0.273 29.444 29.700 0.028 0.000 0.758 48 E HN -0.621 7.656 8.360 0.040 0.107 0.457 49 G N -4.537 104.333 108.800 0.117 0.000 4.644 49 G HA2 0.308 4.452 3.960 0.308 0.000 0.307 49 G HA3 0.308 4.339 3.960 0.118 0.000 0.307 49 G C -1.082 173.939 174.900 0.202 0.000 1.331 49 G CA -1.057 44.152 45.100 0.182 0.000 1.059 49 G HN -0.593 7.742 8.290 0.075 0.000 0.590 50 A N 1.430 124.366 122.820 0.192 0.000 1.862 50 A HA -0.047 4.459 4.320 0.309 0.000 0.211 50 A C 0.745 178.451 177.584 0.203 0.000 1.220 50 A CA 2.276 54.455 52.037 0.237 0.000 0.616 50 A CB 0.483 19.612 19.000 0.215 0.000 0.878 50 A HN -0.384 7.722 8.150 0.166 0.143 0.453 51 A N -1.609 121.223 122.820 0.021 0.000 1.877 51 A HA -0.388 3.769 4.320 -0.271 0.000 0.216 51 A C 1.101 178.664 177.584 -0.036 0.000 1.186 51 A CA 2.963 54.887 52.037 -0.189 0.000 0.620 51 A CB -0.832 17.927 19.000 -0.402 0.000 0.822 51 A HN 0.347 8.500 8.150 0.004 0.000 0.443 52 H N -1.968 117.169 119.070 0.112 0.000 2.390 52 H HA -0.344 4.305 4.556 0.155 0.000 0.298 52 H C 1.790 177.234 175.328 0.194 0.000 1.106 52 H CA 3.949 60.083 56.048 0.143 0.000 1.297 52 H CB -0.291 29.531 29.762 0.100 0.000 1.375 52 H HN 0.223 8.469 8.280 -0.056 0.000 0.509 53 A N -0.749 122.270 122.820 0.331 0.000 1.854 53 A HA -0.271 4.232 4.320 0.304 0.000 0.214 53 A C 1.728 179.543 177.584 0.385 0.000 1.192 53 A CA 2.786 55.023 52.037 0.333 0.000 0.611 53 A CB -0.603 18.587 19.000 0.316 0.000 0.832 53 A HN -0.586 7.647 8.150 0.315 0.106 0.442 54 F N 0.041 120.155 119.950 0.273 0.000 2.043 54 F HA -0.556 4.008 4.527 0.061 0.000 0.297 54 F C 1.366 177.264 175.800 0.162 0.000 1.118 54 F CA 3.252 61.348 58.000 0.160 0.000 1.202 54 F CB -0.220 38.836 39.000 0.093 0.000 0.965 54 F HN -0.230 8.349 8.300 0.464 0.000 0.482 55 A N -2.039 121.090 122.820 0.516 0.000 1.837 55 A HA -0.452 4.034 4.320 0.277 0.000 0.216 55 A C 2.125 179.822 177.584 0.188 0.000 1.210 55 A CA 3.167 55.408 52.037 0.340 0.000 0.632 55 A CB -0.832 18.383 19.000 0.358 0.000 0.843 55 A HN 0.074 8.524 8.150 0.500 0.000 0.448 56 Q N -2.036 117.886 119.800 0.202 0.000 2.165 56 Q HA -0.437 3.946 4.340 0.073 0.000 0.215 56 Q C 2.376 178.436 176.000 0.101 0.000 1.010 56 Q CA 3.144 59.029 55.803 0.136 0.000 0.896 56 Q CB -0.646 28.200 28.738 0.180 0.000 0.956 56 Q HN -0.491 7.926 8.270 0.246 0.000 0.413 57 Y N 1.358 121.688 120.300 0.051 0.000 2.062 57 Y HA -0.484 4.089 4.550 0.040 0.000 0.272 57 Y C 1.440 177.286 175.900 -0.090 0.000 1.117 57 Y CA 3.424 61.517 58.100 -0.011 0.000 1.095 57 Y CB -0.122 38.274 38.460 -0.107 0.000 0.985 57 Y HN 0.154 8.627 8.280 0.333 0.006 0.479 58 N N -1.255 117.385 118.700 -0.100 0.000 2.184 58 N HA -0.483 4.055 4.740 -0.336 0.000 0.190 58 N C 2.264 177.607 175.510 -0.278 0.000 1.011 58 N CA 2.877 55.801 53.050 -0.210 0.000 0.867 58 N CB 0.040 38.495 38.487 -0.053 0.000 0.993 58 N HN -0.245 8.262 8.380 0.213 0.000 0.433 59 M N 0.454 119.919 119.600 -0.225 0.000 2.074 59 M HA -0.184 4.370 4.480 -0.203 -0.195 0.259 59 M C 2.139 178.181 176.300 -0.430 0.000 1.079 59 M CA 2.146 57.301 55.300 -0.241 0.000 1.119 59 M CB -0.058 32.470 32.600 -0.121 0.000 1.297 59 M HN 0.517 8.510 8.290 -0.133 0.218 0.416 60 D N -3.864 116.327 120.400 -0.349 0.000 2.379 60 D HA -0.106 4.241 4.640 -0.487 0.000 0.243 60 D C 0.693 176.780 176.300 -0.354 0.000 1.088 60 D CA 1.657 55.435 54.000 -0.369 0.000 0.925 60 D CB -0.703 39.984 40.800 -0.189 0.000 0.888 60 D HN 0.166 8.290 8.370 -0.232 0.107 0.529 61 Q N -4.212 115.337 119.800 -0.417 0.000 2.135 61 Q HA 0.184 4.486 4.340 -0.064 0.000 0.231 61 Q C -0.036 175.963 176.000 -0.001 0.000 0.817 61 Q CA -2.087 53.562 55.803 -0.256 0.000 1.073 61 Q CB 0.171 28.502 28.738 -0.679 0.000 1.176 61 Q HN -0.555 7.261 8.270 -0.455 0.181 0.478 62 F N -2.188 117.756 119.950 -0.011 0.000 2.790 62 F HA -0.367 4.368 4.527 0.103 -0.146 0.210 62 F C 0.225 176.076 175.800 0.084 0.000 1.055 62 F CA 0.952 59.003 58.000 0.085 0.000 0.786 62 F CB -2.884 36.214 39.000 0.162 0.000 0.625 62 F HN -0.280 7.465 8.300 -0.818 0.064 0.816 63 T N 3.724 118.321 114.554 0.072 0.000 2.758 63 T HA 0.021 4.434 4.350 0.094 -0.006 0.281 63 T C -1.528 173.223 174.700 0.083 0.000 0.963 63 T CA 0.801 62.933 62.100 0.054 0.000 1.201 63 T CB 0.106 68.946 68.868 -0.047 0.000 0.906 63 T HN -0.398 7.788 8.240 -0.067 0.014 0.528 64 P HA 0.093 4.711 4.420 0.027 -0.181 0.281 64 P C -1.252 176.003 177.300 -0.075 0.000 1.286 64 P CA -0.779 62.342 63.100 0.035 0.000 0.772 64 P CB 0.469 32.220 31.700 0.086 0.000 0.862 65 V N 3.674 123.509 119.914 -0.131 0.000 3.093 65 V HA 0.309 4.360 4.120 -0.114 0.000 0.320 65 V C -1.892 174.063 176.094 -0.231 0.000 1.093 65 V CA -3.254 58.953 62.300 -0.155 0.000 1.016 65 V CB 3.664 35.406 31.823 -0.134 0.000 1.096 65 V HN 0.007 8.123 8.190 -0.122 0.000 0.452 66 K N 4.438 124.727 120.400 -0.185 0.000 2.572 66 K HA 0.258 4.453 4.320 -0.208 0.000 0.244 66 K C -0.985 175.538 176.600 -0.129 0.000 0.965 66 K CA -1.505 54.681 56.287 -0.168 0.000 0.943 66 K CB 0.699 33.131 32.500 -0.113 0.000 1.154 66 K HN 0.295 8.463 8.250 -0.138 0.000 0.447 67 I N 5.009 125.470 120.570 -0.181 0.000 2.932 67 I HA -0.386 3.698 4.170 -0.143 0.000 0.295 67 I C 1.538 177.723 176.117 0.113 0.000 1.227 67 I CA 0.918 62.155 61.300 -0.104 0.000 1.429 67 I CB 0.349 38.206 38.000 -0.238 0.000 1.339 67 I HN 0.436 8.489 8.210 -0.263 0.000 0.589 68 E N 6.602 126.884 120.200 0.138 0.000 2.504 68 E HA -0.428 3.965 4.350 0.071 0.000 0.252 68 E C 0.191 176.857 176.600 0.111 0.000 1.018 68 E CA 2.503 58.988 56.400 0.141 0.000 1.151 68 E CB 0.111 29.932 29.700 0.201 0.000 1.081 68 E HN 0.641 9.056 8.360 0.092 0.000 0.509 69 G N -2.565 106.313 108.800 0.130 0.000 3.881 69 G HA2 0.078 4.010 3.960 -0.047 0.000 0.319 69 G HA3 0.078 3.918 3.960 -0.200 0.000 0.319 69 G C -1.862 172.785 174.900 -0.422 0.000 1.472 69 G CA -0.230 44.796 45.100 -0.122 0.000 0.851 69 G HN -0.102 8.390 8.290 0.337 0.000 0.495 70 Y N 0.695 120.964 120.300 -0.052 0.000 2.767 70 Y HA 0.089 4.620 4.550 -0.031 0.000 0.254 70 Y C -0.767 175.099 175.900 -0.057 0.000 1.133 70 Y CA -1.378 56.692 58.100 -0.050 0.000 1.225 70 Y CB 0.813 39.236 38.460 -0.062 0.000 1.312 70 Y HN -0.400 7.983 8.280 0.171 0.000 0.560 71 D N -1.839 118.586 120.400 0.041 0.000 2.818 71 D HA -0.409 4.225 4.640 -0.010 0.000 0.222 71 D C -0.504 175.805 176.300 0.014 0.000 1.182 71 D CA 0.912 54.919 54.000 0.012 0.000 0.612 71 D CB -1.878 38.928 40.800 0.010 0.000 1.040 71 D HN 0.021 8.401 8.370 0.016 0.000 0.412 72 D N -2.996 117.406 120.400 0.003 0.000 2.358 72 D HA -0.085 4.561 4.640 0.010 0.000 0.224 72 D C -0.343 175.888 176.300 -0.115 0.000 1.123 72 D CA -0.430 53.554 54.000 -0.025 0.000 0.833 72 D CB -0.080 40.707 40.800 -0.022 0.000 0.946 72 D HN -0.091 8.258 8.370 0.018 0.032 0.505 73 Q N -2.893 116.788 119.800 -0.199 0.000 2.255 73 Q HA -0.434 3.811 4.340 -0.448 -0.173 0.372 73 Q C 0.008 175.795 176.000 -0.354 0.000 1.224 73 Q CA 0.883 56.411 55.803 -0.458 0.000 1.182 73 Q CB -2.248 25.925 28.738 -0.942 0.000 1.444 73 Q HN -0.176 7.913 8.270 -0.145 0.094 0.360 74 V N -2.404 117.378 119.914 -0.221 0.000 3.566 74 V HA -0.247 3.815 4.120 -0.034 0.038 0.301 74 V C -0.988 175.086 176.094 -0.033 0.000 1.105 74 V CA 0.047 62.285 62.300 -0.103 0.000 1.142 74 V CB 1.384 33.126 31.823 -0.135 0.000 1.107 74 V HN -0.571 7.444 8.190 -0.248 0.026 0.481 75 L N 1.170 122.472 121.223 0.132 0.000 2.330 75 L HA 0.258 4.697 4.340 0.165 0.000 0.271 75 L C -0.897 176.163 176.870 0.318 0.000 1.013 75 L CA -1.316 53.667 54.840 0.238 0.000 0.816 75 L CB 2.663 44.948 42.059 0.377 0.000 1.287 75 L HN -0.514 7.812 8.230 0.160 0.000 0.435 76 I N 1.655 122.357 120.570 0.220 0.000 2.306 76 I HA 0.144 4.579 4.170 0.442 0.000 0.288 76 I C -0.997 175.239 176.117 0.198 0.000 1.036 76 I CA -0.443 60.965 61.300 0.180 0.000 1.221 76 I CB -0.198 37.662 38.000 -0.233 0.000 1.385 76 I HN -0.129 8.181 8.210 0.166 0.000 0.472 77 T N 4.090 118.872 114.554 0.379 0.000 2.742 77 T HA 0.376 4.746 4.350 -0.234 -0.160 0.282 77 T C -0.090 174.471 174.700 -0.231 0.000 1.025 77 T CA -2.785 59.289 62.100 -0.043 0.000 1.020 77 T CB 2.816 71.655 68.868 -0.048 0.000 1.317 77 T HN -0.263 8.329 8.240 0.587 0.000 0.538 78 E N -2.097 117.802 120.200 -0.500 0.000 2.158 78 E HA -0.123 3.946 4.350 -0.469 0.000 0.191 78 E C 1.993 178.163 176.600 -0.717 0.000 0.982 78 E CA 2.402 58.452 56.400 -0.583 0.000 0.823 78 E CB -0.254 29.124 29.700 -0.537 0.000 0.766 78 E HN 0.440 8.460 8.360 -0.567 0.000 0.468 79 H N -0.881 117.855 119.070 -0.557 0.000 2.489 79 H HA -0.105 4.167 4.556 -0.473 0.000 0.293 79 H C 1.163 175.962 175.328 -0.882 0.000 1.066 79 H CA 1.630 57.251 56.048 -0.712 0.000 1.305 79 H CB -0.084 29.133 29.762 -0.909 0.000 1.386 79 H HN -0.515 7.116 8.280 -1.082 0.000 0.551 80 G N -3.101 105.181 108.800 -0.863 0.000 3.434 80 G HA2 0.034 3.835 3.960 -0.265 0.000 0.258 80 G HA3 0.034 3.883 3.960 -0.185 0.000 0.258 80 G C -1.812 172.380 174.900 -1.180 0.000 1.128 80 G CA -0.798 43.956 45.100 -0.577 0.000 0.792 80 G HN -0.633 7.014 8.290 -0.836 0.142 0.539 81 D N 0.940 120.564 120.400 -1.293 0.000 2.393 81 D HA -0.035 3.313 4.640 -2.155 0.000 0.232 81 D C 0.050 176.055 176.300 -0.492 0.000 1.192 81 D CA -0.827 52.414 54.000 -1.264 0.000 0.882 81 D CB -0.015 40.329 40.800 -0.761 0.000 1.038 81 D HN -0.558 7.046 8.370 -0.944 0.199 0.499 82 L N 6.579 127.617 121.223 -0.307 0.000 1.997 82 L HA -0.318 3.941 4.340 -0.136 0.000 0.216 82 L C 1.299 178.122 176.870 -0.078 0.000 1.074 82 L CA 1.966 56.728 54.840 -0.130 0.000 0.763 82 L CB 0.629 42.655 42.059 -0.055 0.000 0.890 82 L HN 0.149 8.187 8.230 -0.320 0.000 0.434 83 G N -5.414 103.374 108.800 -0.021 0.000 2.192 83 G HA2 -0.380 3.596 3.960 0.026 0.000 0.193 83 G HA3 -0.380 3.570 3.960 -0.017 0.000 0.193 83 G C -0.247 174.673 174.900 0.034 0.000 0.999 83 G CA -0.233 44.872 45.100 0.008 0.000 0.659 83 G HN -0.249 8.143 8.290 0.028 -0.085 0.503 84 N N 0.142 118.864 118.700 0.035 0.000 2.171 84 N HA 0.131 4.882 4.740 0.019 0.000 0.212 84 N C 0.381 175.902 175.510 0.018 0.000 1.184 84 N CA -0.354 52.708 53.050 0.020 0.000 0.888 84 N CB 0.868 39.353 38.487 -0.002 0.000 1.038 84 N HN -0.209 8.139 8.380 0.037 0.055 0.517 85 G N -1.285 107.559 108.800 0.073 0.000 2.336 85 G HA2 -0.301 3.698 3.960 0.064 0.000 0.194 85 G HA3 -0.301 3.603 3.960 -0.095 0.000 0.194 85 G C -1.766 173.136 174.900 0.004 0.000 0.999 85 G CA -0.167 44.937 45.100 0.006 0.000 0.669 85 G HN 0.214 8.530 8.290 0.134 0.054 0.482 86 R N -1.179 119.384 120.500 0.106 0.000 2.782 86 R HA 0.398 4.761 4.340 0.039 0.000 0.258 86 R C -1.616 174.851 176.300 0.277 0.000 1.055 86 R CA -1.162 54.986 56.100 0.081 0.000 1.065 86 R CB 2.257 32.497 30.300 -0.099 0.000 1.172 86 R HN -0.717 7.534 8.270 0.074 0.063 0.510 87 F N -2.512 117.143 119.950 -0.491 0.000 2.629 87 F HA 0.889 5.479 4.527 -0.236 -0.205 0.386 87 F C -0.373 175.199 175.800 -0.380 0.000 1.135 87 F CA -1.533 56.185 58.000 -0.470 0.000 1.116 87 F CB 3.703 42.387 39.000 -0.528 0.000 1.426 87 F HN -0.226 7.732 8.300 -0.570 0.000 0.501 88 L N -2.157 119.105 121.223 0.065 0.000 2.319 88 L HA 0.309 4.723 4.340 0.123 0.000 0.267 88 L C -1.839 175.315 176.870 0.473 0.000 1.011 88 L CA -1.099 53.865 54.840 0.208 0.000 0.818 88 L CB 4.063 46.228 42.059 0.177 0.000 1.316 88 L HN 0.090 8.297 8.230 0.093 0.079 0.432 89 D N 1.588 122.190 120.400 0.336 0.000 2.363 89 D HA 0.311 5.094 4.640 0.237 0.000 0.258 89 D C -1.769 174.588 176.300 0.094 0.000 1.259 89 D CA -3.018 51.126 54.000 0.240 0.000 0.921 89 D CB 1.697 42.629 40.800 0.220 0.000 1.201 89 D HN 0.083 8.596 8.370 0.239 0.000 0.524 90 P HA -0.160 4.277 4.420 0.029 0.000 0.217 90 P C 0.523 177.815 177.300 -0.014 0.000 1.150 90 P CA 1.416 64.501 63.100 -0.025 0.000 0.832 90 P CB 0.676 32.284 31.700 -0.154 0.000 0.787 91 R N -2.396 118.087 120.500 -0.029 0.000 2.126 91 R HA -0.273 4.199 4.340 -0.002 -0.133 0.224 91 R C 1.418 177.732 176.300 0.023 0.000 1.128 91 R CA 1.962 58.060 56.100 -0.003 0.000 0.895 91 R CB -0.727 29.570 30.300 -0.005 0.000 0.817 91 R HN -0.060 8.159 8.270 -0.058 0.016 0.435 92 N N -3.494 115.224 118.700 0.030 0.000 2.409 92 N HA -0.044 4.736 4.740 0.066 0.000 0.179 92 N C -0.520 175.021 175.510 0.051 0.000 1.032 92 N CA 0.659 53.741 53.050 0.054 0.000 0.898 92 N CB 0.693 39.219 38.487 0.065 0.000 0.971 92 N HN 0.147 9.057 8.380 0.016 -0.521 0.441 93 K N -4.824 115.605 120.400 0.047 0.000 3.585 93 K HA -0.413 4.049 4.320 0.068 -0.101 0.275 93 K C -1.822 174.810 176.600 0.054 0.000 1.026 93 K CA 0.711 57.032 56.287 0.057 0.000 0.800 93 K CB -3.166 29.364 32.500 0.051 0.000 1.401 93 K HN 0.179 8.488 8.250 0.043 -0.033 0.453 94 I N -4.325 116.281 120.570 0.061 0.000 2.913 94 I HA 0.135 4.328 4.170 0.037 0.000 0.302 94 I C -1.406 174.780 176.117 0.115 0.000 1.246 94 I CA -1.910 59.412 61.300 0.038 0.000 1.010 94 I CB 4.584 42.535 38.000 -0.082 0.000 1.259 94 I HN -0.646 7.618 8.210 0.089 0.000 0.434 95 S N 1.962 117.705 115.700 0.072 0.000 2.499 95 S HA 0.293 4.788 4.470 0.042 0.000 0.279 95 S C -1.017 173.643 174.600 0.100 0.000 1.219 95 S CA -0.817 57.415 58.200 0.053 0.000 1.062 95 S CB 1.442 64.639 63.200 -0.004 0.000 0.978 95 S HN 0.795 8.980 8.310 0.036 0.147 0.489 96 F N 1.882 121.833 119.950 0.002 0.000 2.581 96 F HA 0.456 4.951 4.527 -0.054 0.000 0.311 96 F C -2.546 173.277 175.800 0.038 0.000 1.113 96 F CA -2.337 55.651 58.000 -0.021 0.000 0.935 96 F CB 2.925 41.888 39.000 -0.063 0.000 1.232 96 F HN -0.178 7.861 8.300 -0.435 0.000 0.445 97 K N 4.196 124.598 120.400 0.004 0.000 2.284 97 K HA 0.234 4.413 4.320 -0.235 0.000 0.287 97 K C -1.470 175.068 176.600 -0.103 0.000 1.081 97 K CA -1.438 54.760 56.287 -0.148 0.000 0.910 97 K CB 1.387 33.781 32.500 -0.177 0.000 1.088 97 K HN 0.057 8.349 8.250 0.069 0.000 0.478 98 F N 2.381 122.200 119.950 -0.218 0.000 2.427 98 F HA 0.035 4.512 4.527 -0.085 0.000 0.352 98 F C -0.768 174.745 175.800 -0.477 0.000 1.100 98 F CA -2.379 55.467 58.000 -0.257 0.000 1.191 98 F CB 0.808 39.571 39.000 -0.396 0.000 1.128 98 F HN -0.217 8.000 8.300 -0.138 0.000 0.533 99 D N 6.366 126.534 120.400 -0.387 0.000 2.485 99 D HA 0.120 4.344 4.640 -0.693 0.000 0.221 99 D C -0.099 175.929 176.300 -0.454 0.000 1.112 99 D CA -2.003 51.710 54.000 -0.478 0.000 0.911 99 D CB -0.362 40.286 40.800 -0.252 0.000 1.019 99 D HN 0.109 8.379 8.370 -0.167 0.000 0.516 100 H N 1.622 120.415 119.070 -0.461 0.000 2.268 100 H HA -0.501 3.682 4.556 -0.622 0.000 0.288 100 H C 1.247 175.558 175.328 -1.694 0.000 1.088 100 H CA 1.940 57.357 56.048 -1.051 0.000 1.182 100 H CB -0.331 28.744 29.762 -1.145 0.000 1.348 100 H HN -0.227 6.887 8.280 -1.942 0.000 0.499 101 L N -0.847 119.726 121.223 -1.084 0.000 1.929 101 L HA -0.292 3.758 4.340 -0.483 0.000 0.229 101 L C 0.173 176.883 176.870 -0.266 0.000 1.086 101 L CA 1.930 56.429 54.840 -0.569 0.000 0.798 101 L CB -0.010 41.901 42.059 -0.248 0.000 0.898 101 L HN -0.152 7.695 8.230 -0.638 0.000 0.436 102 R N -1.335 119.052 120.500 -0.189 0.000 2.817 102 R HA -0.172 4.124 4.340 -0.073 0.000 0.264 102 R C 0.071 176.308 176.300 -0.105 0.000 1.009 102 R CA 1.011 57.043 56.100 -0.112 0.000 1.133 102 R CB 0.184 30.424 30.300 -0.100 0.000 1.013 102 R HN -0.591 7.694 8.270 -0.191 -0.129 0.453 103 K N -1.256 119.108 120.400 -0.060 0.000 2.444 103 K HA -0.094 4.200 4.320 -0.043 0.000 0.193 103 K C -0.984 175.585 176.600 -0.051 0.000 1.024 103 K CA 0.755 57.014 56.287 -0.047 0.000 1.077 103 K CB 0.148 32.627 32.500 -0.035 0.000 0.833 103 K HN 0.287 8.508 8.250 -0.049 0.000 0.517 104 E N -2.761 117.404 120.200 -0.058 0.000 2.244 104 E HA 0.170 4.496 4.350 -0.041 0.000 0.266 104 E C -1.506 175.063 176.600 -0.052 0.000 0.914 104 E CA -1.168 55.204 56.400 -0.046 0.000 0.794 104 E CB 2.547 32.226 29.700 -0.035 0.000 1.210 104 E HN -0.573 7.666 8.360 -0.068 0.080 0.414 105 A N 3.761 126.568 122.820 -0.021 0.000 3.156 105 A HA 0.406 4.710 4.320 -0.042 -0.009 0.311 105 A C -1.321 176.297 177.584 0.056 0.000 1.129 105 A CA -0.176 51.866 52.037 0.009 0.000 0.809 105 A CB 0.448 19.501 19.000 0.089 0.000 1.257 105 A HN 0.386 8.526 8.150 -0.017 0.000 0.491 106 S N 1.429 117.146 115.700 0.028 0.000 2.590 106 S HA 0.059 4.576 4.470 0.077 0.000 0.282 106 S C -0.456 174.174 174.600 0.050 0.000 1.136 106 S CA -1.021 57.212 58.200 0.054 0.000 1.030 106 S CB 0.782 64.009 63.200 0.045 0.000 1.195 106 S HN -0.419 7.890 8.310 -0.002 0.000 0.506 107 D N -1.778 118.655 120.400 0.055 0.000 2.760 107 D HA -0.108 4.557 4.640 0.041 0.000 0.244 107 D C -1.810 174.515 176.300 0.042 0.000 1.096 107 D CA -0.058 53.964 54.000 0.037 0.000 0.716 107 D CB -0.397 40.404 40.800 0.002 0.000 1.075 107 D HN 0.137 8.551 8.370 0.073 0.000 0.434 108 P HA 0.332 4.900 4.420 0.083 -0.099 0.286 108 P C -1.160 176.155 177.300 0.025 0.000 1.293 108 P CA -0.254 62.869 63.100 0.039 0.000 0.770 108 P CB 1.315 32.971 31.700 -0.074 0.000 1.206 109 Q N -2.937 116.873 119.800 0.017 0.000 2.364 109 Q HA 0.441 4.797 4.340 0.026 0.000 0.251 109 Q C -2.770 173.243 176.000 0.022 0.000 0.927 109 Q CA -2.541 53.273 55.803 0.019 0.000 0.924 109 Q CB 3.658 32.401 28.738 0.008 0.000 1.419 109 Q HN 0.961 9.198 8.270 0.017 0.043 0.427 110 P HA -0.140 4.303 4.420 0.038 0.000 0.261 110 P C -1.444 175.874 177.300 0.030 0.000 1.173 110 P CA 0.560 63.681 63.100 0.035 0.000 0.760 110 P CB 0.138 31.861 31.700 0.039 0.000 0.783 111 E N 5.401 125.622 120.200 0.035 0.000 2.207 111 E HA 0.174 4.540 4.350 0.027 0.000 0.250 111 E C -1.313 175.309 176.600 0.036 0.000 0.890 111 E CA -1.792 54.628 56.400 0.034 0.000 0.749 111 E CB 1.613 31.338 29.700 0.042 0.000 1.193 111 E HN -0.091 8.293 8.360 0.040 0.000 0.423 112 D N 6.853 127.271 120.400 0.031 0.000 2.455 112 D HA -0.017 4.643 4.640 0.033 0.000 0.234 112 D C 0.069 176.388 176.300 0.032 0.000 1.224 112 D CA -0.697 53.321 54.000 0.030 0.000 0.999 112 D CB -1.207 39.608 40.800 0.025 0.000 1.072 112 D HN 0.271 8.657 8.370 0.026 0.000 0.514 113 T N 1.138 115.715 114.554 0.038 0.000 2.785 113 T HA -0.190 4.185 4.350 0.043 0.000 0.341 113 T C 0.824 175.546 174.700 0.038 0.000 1.093 113 T CA 0.224 62.350 62.100 0.042 0.000 1.103 113 T CB 0.913 69.811 68.868 0.050 0.000 1.011 113 T HN -0.386 7.878 8.240 0.040 0.000 0.549 114 E N 4.384 124.608 120.200 0.040 0.000 2.216 114 E HA -0.125 4.243 4.350 0.031 0.000 0.192 114 E C 0.224 176.848 176.600 0.041 0.000 0.988 114 E CA 1.136 57.558 56.400 0.036 0.000 0.834 114 E CB 0.334 30.055 29.700 0.035 0.000 0.772 114 E HN 0.331 8.717 8.360 0.044 0.000 0.479 115 S N -4.968 110.762 115.700 0.050 0.000 3.787 115 S HA -0.446 4.058 4.470 0.057 0.000 0.321 115 S C -0.808 173.832 174.600 0.066 0.000 1.119 115 S CA 0.516 58.748 58.200 0.053 0.000 0.918 115 S CB -1.639 61.584 63.200 0.038 0.000 0.913 115 S HN 0.039 8.361 8.310 0.054 0.021 0.506 116 A N 0.614 123.484 122.820 0.082 0.000 1.909 116 A HA 0.025 4.403 4.320 0.097 0.000 0.210 116 A C 0.119 177.813 177.584 0.183 0.000 1.273 116 A CA 1.503 53.602 52.037 0.105 0.000 0.654 116 A CB 0.394 19.439 19.000 0.076 0.000 0.945 116 A HN 0.432 8.628 8.150 0.077 0.000 0.471 117 L N -4.215 117.117 121.223 0.182 0.000 2.640 117 L HA 0.281 4.937 4.340 0.527 0.000 0.230 117 L C 1.332 178.387 176.870 0.309 0.000 1.123 117 L CA -0.466 54.555 54.840 0.302 0.000 0.900 117 L CB -0.442 41.694 42.059 0.127 0.000 1.146 117 L HN -0.071 8.234 8.230 0.125 0.000 0.484 118 K N 1.053 121.564 120.400 0.186 0.000 2.074 118 K HA -0.444 3.959 4.320 0.137 0.000 0.209 118 K C 1.969 178.649 176.600 0.133 0.000 1.048 118 K CA 3.334 59.704 56.287 0.138 0.000 0.926 118 K CB -1.034 31.517 32.500 0.084 0.000 0.713 118 K HN 0.157 8.432 8.250 0.150 0.066 0.444 119 Q N -1.517 118.332 119.800 0.082 0.000 2.065 119 Q HA -0.401 3.890 4.340 -0.081 0.000 0.213 119 Q C 2.415 178.381 176.000 -0.057 0.000 1.012 119 Q CA 3.160 58.914 55.803 -0.083 0.000 0.876 119 Q CB -0.430 28.115 28.738 -0.322 0.000 0.954 119 Q HN 0.109 8.431 8.270 0.099 0.007 0.413 120 W N -1.756 119.596 121.300 0.087 0.000 2.355 120 W HA -0.165 4.754 4.660 0.168 -0.157 0.309 120 W C 2.140 178.739 176.519 0.134 0.000 1.206 120 W CA 2.417 59.849 57.345 0.145 0.000 1.284 120 W CB -0.216 29.348 29.460 0.174 0.000 1.145 120 W HN -0.697 7.758 8.180 0.459 0.000 0.502 121 R N -0.698 119.998 120.500 0.327 0.000 2.177 121 R HA -0.521 3.945 4.340 0.209 0.000 0.221 121 R C 1.763 178.144 176.300 0.134 0.000 1.110 121 R CA 3.385 59.604 56.100 0.199 0.000 0.875 121 R CB -0.674 29.711 30.300 0.141 0.000 0.810 121 R HN -0.723 7.701 8.270 0.356 0.059 0.437 122 D N -1.140 119.314 120.400 0.091 0.000 2.339 122 D HA -0.340 4.327 4.640 0.045 0.000 0.189 122 D C 1.544 177.877 176.300 0.055 0.000 1.022 122 D CA 3.172 57.205 54.000 0.055 0.000 0.884 122 D CB -0.350 40.469 40.800 0.033 0.000 0.916 122 D HN -0.352 8.074 8.370 0.093 0.000 0.453 123 A N -0.886 121.974 122.820 0.067 0.000 1.825 123 A HA -0.329 4.010 4.320 0.031 0.000 0.214 123 A C 1.960 179.602 177.584 0.096 0.000 1.206 123 A CA 3.025 55.100 52.037 0.062 0.000 0.609 123 A CB -0.648 18.383 19.000 0.052 0.000 0.851 123 A HN -0.765 7.419 8.150 0.074 0.011 0.445 124 C N -1.768 117.633 119.300 0.169 0.000 2.398 124 C HA -0.525 4.037 4.460 0.171 0.000 0.276 124 C C 1.312 176.365 174.990 0.105 0.000 1.222 124 C CA 4.485 63.609 59.018 0.178 0.000 1.746 124 C CB -1.245 26.651 27.740 0.260 0.000 2.039 124 C HN 0.187 8.550 8.230 0.222 0.000 0.470 125 D N 0.269 120.723 120.400 0.090 0.000 2.327 125 D HA -0.424 4.242 4.640 0.044 0.000 0.205 125 D C 1.994 178.322 176.300 0.046 0.000 1.036 125 D CA 3.509 57.541 54.000 0.052 0.000 0.897 125 D CB -0.165 40.656 40.800 0.035 0.000 1.117 125 D HN 0.298 8.612 8.370 0.107 0.120 0.471 126 S N 0.372 116.097 115.700 0.041 0.000 2.372 126 S HA -0.499 3.990 4.470 0.032 0.000 0.227 126 S C 2.142 176.765 174.600 0.038 0.000 1.044 126 S CA 3.324 61.544 58.200 0.034 0.000 1.050 126 S CB -0.174 63.042 63.200 0.026 0.000 0.901 126 S HN -0.670 7.664 8.310 0.041 0.000 0.447 127 A N 1.566 124.412 122.820 0.043 0.000 1.884 127 A HA -0.306 4.033 4.320 0.032 0.000 0.219 127 A C 2.049 179.667 177.584 0.056 0.000 1.197 127 A CA 2.734 54.796 52.037 0.041 0.000 0.637 127 A CB -0.619 18.406 19.000 0.042 0.000 0.827 127 A HN -0.113 8.064 8.150 0.047 0.002 0.450 128 L N -3.626 117.632 121.223 0.059 0.000 2.465 128 L HA -0.180 4.222 4.340 0.105 0.000 0.224 128 L C 1.187 178.111 176.870 0.090 0.000 1.145 128 L CA 1.458 56.346 54.840 0.080 0.000 0.834 128 L CB -0.115 41.971 42.059 0.045 0.000 0.944 128 L HN 0.733 8.806 8.230 0.058 0.192 0.451 129 R N -0.811 119.723 120.500 0.056 0.000 2.115 129 R HA -0.291 4.063 4.340 0.024 0.000 0.230 129 R C 1.703 178.017 176.300 0.023 0.000 1.111 129 R CA 3.141 59.261 56.100 0.034 0.000 0.976 129 R CB -0.219 30.100 30.300 0.031 0.000 0.870 129 R HN 0.057 8.137 8.270 0.052 0.221 0.445 130 A N -2.179 120.667 122.820 0.044 0.000 1.935 130 A HA -0.141 4.174 4.320 -0.008 0.000 0.214 130 A C 0.827 178.438 177.584 0.044 0.000 1.178 130 A CA 1.949 54.002 52.037 0.026 0.000 0.640 130 A CB -0.740 18.279 19.000 0.031 0.000 0.825 130 A HN -0.770 7.397 8.150 0.058 0.018 0.447 131 Y N -1.102 119.199 120.300 0.002 0.000 2.193 131 Y HA -0.307 4.308 4.550 0.108 0.000 0.285 131 Y C 1.761 177.742 175.900 0.134 0.000 1.166 131 Y CA 2.446 60.593 58.100 0.077 0.000 1.181 131 Y CB 0.301 38.790 38.460 0.048 0.000 0.976 131 Y HN -0.836 7.577 8.280 0.221 0.000 0.520 132 V N -0.625 119.215 119.914 -0.122 0.000 2.379 132 V HA -0.324 3.610 4.120 -0.309 0.000 0.245 132 V C -0.065 175.960 176.094 -0.115 0.000 1.044 132 V CA 2.712 64.867 62.300 -0.241 0.000 1.036 132 V CB 0.254 31.883 31.823 -0.323 0.000 0.664 132 V HN -0.428 7.766 8.190 0.024 0.011 0.453 133 K N -2.655 117.671 120.400 -0.124 0.000 2.706 133 K HA -0.038 4.202 4.320 -0.133 0.000 0.217 133 K C -0.817 175.674 176.600 -0.181 0.000 1.019 133 K CA 0.718 56.928 56.287 -0.129 0.000 1.181 133 K CB -1.330 31.116 32.500 -0.090 0.000 0.940 133 K HN -0.701 7.416 8.250 -0.095 0.076 0.491 134 D N -2.127 118.102 120.400 -0.284 0.000 2.523 134 D HA 0.124 4.539 4.640 -0.375 0.000 0.269 134 D C -0.794 174.947 176.300 -0.932 0.000 1.374 134 D CA 0.854 54.546 54.000 -0.515 0.000 0.820 134 D CB 1.548 42.035 40.800 -0.521 0.000 1.211 134 D HN -0.385 7.684 8.370 -0.245 0.154 0.502 135 H N -2.876 116.042 119.070 -0.253 0.000 3.840 135 H HA 0.155 4.479 4.556 -0.386 0.000 0.253 135 H C -0.479 174.475 175.328 -0.622 0.000 1.059 135 H CA 0.739 56.518 56.048 -0.449 0.000 1.141 135 H CB 3.502 32.870 29.762 -0.657 0.000 1.385 135 H HN -0.470 7.589 8.280 -0.204 0.098 0.744 136 Y N 0.905 121.036 120.300 -0.281 0.000 2.402 136 Y HA 0.303 4.700 4.550 -0.255 0.000 0.332 136 Y C -1.096 174.652 175.900 -0.253 0.000 0.960 136 Y CA -2.610 55.327 58.100 -0.272 0.000 1.228 136 Y CB -0.594 37.692 38.460 -0.290 0.000 1.120 136 Y HN 0.064 8.330 8.280 0.143 0.100 0.491 137 P HA -0.251 4.096 4.420 -0.122 0.000 0.213 137 P C -0.094 177.114 177.300 -0.153 0.000 1.170 137 P CA 2.169 65.197 63.100 -0.121 0.000 0.902 137 P CB 0.393 32.034 31.700 -0.098 0.000 0.789 138 N N -2.110 116.486 118.700 -0.173 0.000 2.644 138 N HA 0.110 4.646 4.740 -0.340 0.000 0.313 138 N C -1.232 174.006 175.510 -0.454 0.000 1.863 138 N CA -0.824 52.056 53.050 -0.282 0.000 0.918 138 N CB 0.545 38.942 38.487 -0.151 0.000 1.320 138 N HN -0.041 8.264 8.380 -0.125 0.000 0.490 139 G N -0.830 107.677 108.800 -0.488 0.000 2.471 139 G HA2 0.572 4.424 3.960 -0.250 0.000 0.332 139 G HA3 0.572 4.449 3.960 -0.139 -0.000 0.332 139 G C -1.776 172.607 174.900 -0.861 0.000 1.176 139 G CA -0.608 44.239 45.100 -0.421 0.000 0.949 139 G HN -0.858 7.205 8.290 -0.377 0.000 0.488 140 F N -2.314 117.624 119.950 -0.019 0.000 2.613 140 F HA 0.464 4.971 4.527 -0.034 0.000 0.314 140 F C -1.790 173.988 175.800 -0.036 0.000 1.075 140 F CA -1.402 56.588 58.000 -0.016 0.000 0.945 140 F CB 4.319 43.343 39.000 0.041 0.000 1.310 140 F HN 0.603 8.818 8.300 0.063 0.123 0.467 141 C N -2.136 117.268 119.300 0.172 0.000 2.848 141 C HA 1.211 5.961 4.460 0.090 -0.236 0.317 141 C C -0.855 174.196 174.990 0.103 0.000 1.260 141 C CA -2.429 56.643 59.018 0.091 0.000 1.656 141 C CB 4.805 32.555 27.740 0.017 0.000 2.174 141 C HN 0.491 8.856 8.230 0.225 0.000 0.479 142 T N 1.670 116.269 114.554 0.076 0.000 3.755 142 T HA 0.249 4.555 4.350 -0.073 0.000 0.327 142 T C -1.406 173.197 174.700 -0.162 0.000 0.801 142 T CA 0.114 62.186 62.100 -0.046 0.000 1.026 142 T CB 1.767 70.637 68.868 0.003 0.000 1.040 142 T HN 0.248 8.548 8.240 0.100 0.000 0.470 143 V N 6.535 126.357 119.914 -0.153 0.000 2.686 143 V HA 0.133 4.454 4.120 0.028 -0.184 0.295 143 V C -0.344 175.574 176.094 -0.293 0.000 1.055 143 V CA 0.230 62.473 62.300 -0.094 0.000 1.050 143 V CB 0.302 32.128 31.823 0.005 0.000 0.984 143 V HN 0.231 8.358 8.190 -0.105 0.000 0.482 144 Y N 5.048 125.389 120.300 0.068 0.000 2.331 144 Y HA 0.158 4.748 4.550 0.065 0.000 0.334 144 Y C -0.973 174.937 175.900 0.017 0.000 0.960 144 Y CA -1.018 57.108 58.100 0.044 0.000 1.130 144 Y CB 2.927 41.398 38.460 0.019 0.000 1.164 144 Y HN 1.234 9.487 8.280 0.177 0.133 0.458 145 G N 2.616 111.518 108.800 0.171 0.000 3.288 145 G HA2 0.372 4.382 3.960 0.084 0.000 0.337 145 G HA3 0.372 4.402 3.960 0.116 0.000 0.337 145 G C -2.473 172.479 174.900 0.088 0.000 1.142 145 G CA -0.923 44.244 45.100 0.112 0.000 1.304 145 G HN 0.498 8.891 8.290 0.172 0.000 0.475 146 K N 2.702 123.129 120.400 0.045 0.000 2.352 146 K HA 0.506 4.843 4.320 0.030 0.000 0.240 146 K C -2.168 174.410 176.600 -0.037 0.000 1.017 146 K CA -1.895 54.401 56.287 0.015 0.000 0.851 146 K CB 3.174 35.681 32.500 0.012 0.000 1.261 146 K HN -0.923 7.342 8.250 0.025 0.000 0.451 147 S N -0.216 115.462 115.700 -0.037 0.000 2.438 147 S HA 0.179 4.594 4.470 -0.092 0.000 0.316 147 S C -0.378 174.185 174.600 -0.060 0.000 1.084 147 S CA -0.902 57.261 58.200 -0.061 0.000 1.107 147 S CB 0.945 64.120 63.200 -0.043 0.000 0.981 147 S HN 0.215 8.513 8.310 -0.020 0.000 0.466 148 I N 8.226 128.748 120.570 -0.080 0.000 2.281 148 I HA 0.036 4.175 4.170 -0.052 0.000 0.293 148 I C -1.695 174.386 176.117 -0.061 0.000 1.085 148 I CA -1.370 59.890 61.300 -0.067 0.000 1.257 148 I CB 0.517 38.471 38.000 -0.077 0.000 1.430 148 I HN 0.321 8.467 8.210 -0.107 0.000 0.489 149 D N 6.760 127.132 120.400 -0.046 0.000 2.697 149 D HA -0.319 4.301 4.640 -0.033 0.000 0.235 149 D C 0.342 176.615 176.300 -0.044 0.000 1.167 149 D CA 1.413 55.389 54.000 -0.040 0.000 0.656 149 D CB -1.471 39.307 40.800 -0.036 0.000 1.025 149 D HN 0.582 8.927 8.370 -0.041 0.000 0.419 150 G N -3.152 105.620 108.800 -0.046 0.000 3.909 150 G HA2 -0.533 3.403 3.960 -0.040 0.000 0.218 150 G HA3 -0.533 3.401 3.960 -0.042 0.000 0.218 150 G C -0.441 174.415 174.900 -0.073 0.000 1.404 150 G CA 0.045 45.116 45.100 -0.048 0.000 0.905 150 G HN -0.060 8.205 8.290 -0.043 0.000 0.589 151 Q N 3.571 123.320 119.800 -0.085 0.000 2.269 151 Q HA -0.263 3.999 4.340 -0.129 0.000 0.300 151 Q C -0.744 175.155 176.000 -0.168 0.000 1.070 151 Q CA 0.696 56.424 55.803 -0.124 0.000 0.957 151 Q CB 0.379 29.048 28.738 -0.115 0.000 1.131 151 Q HN -0.306 7.855 8.270 -0.071 0.067 0.377 152 Q N 2.598 122.254 119.800 -0.240 0.000 2.260 152 Q HA 0.011 4.219 4.340 -0.220 0.000 0.242 152 Q C -0.036 175.703 176.000 -0.435 0.000 0.932 152 Q CA -0.246 55.372 55.803 -0.307 0.000 0.891 152 Q CB 1.686 30.195 28.738 -0.383 0.000 1.222 152 Q HN 0.218 8.338 8.270 -0.249 0.000 0.453 153 T N 1.233 115.547 114.554 -0.399 0.000 2.942 153 T HA 0.558 4.829 4.350 -0.775 -0.387 0.327 153 T C -2.373 172.132 174.700 -0.325 0.000 1.360 153 T CA -1.310 60.509 62.100 -0.468 0.000 1.055 153 T CB 2.594 71.287 68.868 -0.291 0.000 1.261 153 T HN -0.260 7.807 8.240 -0.289 0.000 0.485 154 I N 5.881 126.267 120.570 -0.307 0.000 2.328 154 I HA 0.388 4.702 4.170 -0.015 -0.153 0.287 154 I C -0.534 175.603 176.117 0.033 0.000 1.012 154 I CA -3.019 58.256 61.300 -0.041 0.000 1.195 154 I CB -0.617 37.459 38.000 0.127 0.000 1.350 154 I HN 0.799 8.589 8.210 -0.483 0.130 0.464 155 I N 8.922 129.515 120.570 0.039 0.000 2.304 155 I HA 0.370 4.806 4.170 0.051 -0.235 0.291 155 I C -1.521 174.708 176.117 0.186 0.000 1.018 155 I CA -1.169 60.164 61.300 0.054 0.000 1.260 155 I CB 1.438 39.339 38.000 -0.164 0.000 1.390 155 I HN 0.589 8.830 8.210 0.051 0.000 0.475 156 A N 8.377 131.319 122.820 0.204 0.000 2.273 156 A HA 0.483 4.906 4.320 0.173 0.000 0.315 156 A C -1.450 176.287 177.584 0.254 0.000 1.256 156 A CA -1.649 50.508 52.037 0.199 0.000 0.851 156 A CB 1.692 20.769 19.000 0.129 0.000 1.172 156 A HN 0.540 8.821 8.150 0.218 0.000 0.508 157 C N 5.046 124.509 119.300 0.271 0.000 2.355 157 C HA 0.900 5.660 4.460 0.166 -0.201 0.332 157 C C -0.710 174.341 174.990 0.103 0.000 1.255 157 C CA -1.018 58.139 59.018 0.232 0.000 1.792 157 C CB 1.737 29.786 27.740 0.515 0.000 2.300 157 C HN -0.125 8.267 8.230 0.270 0.000 0.515 158 I N 2.591 123.143 120.570 -0.029 0.000 2.509 158 I HA 0.673 5.012 4.170 -0.031 -0.188 0.293 158 I C -1.756 174.342 176.117 -0.031 0.000 1.020 158 I CA -1.445 59.823 61.300 -0.053 0.000 1.088 158 I CB 3.123 41.049 38.000 -0.123 0.000 1.267 158 I HN 0.575 8.719 8.210 -0.110 0.000 0.430 159 E N 5.337 125.582 120.200 0.075 0.000 2.343 159 E HA 0.864 5.571 4.350 0.247 -0.209 0.270 159 E C -1.692 175.062 176.600 0.256 0.000 0.895 159 E CA -2.921 53.621 56.400 0.237 0.000 0.767 159 E CB 4.492 34.413 29.700 0.368 0.000 1.248 159 E HN 1.035 9.308 8.360 0.047 0.115 0.440 160 S N 2.481 118.400 115.700 0.365 0.000 2.582 160 S HA 0.350 5.006 4.470 0.054 -0.154 0.296 160 S C -2.300 172.500 174.600 0.335 0.000 1.118 160 S CA 0.373 58.726 58.200 0.255 0.000 0.947 160 S CB 1.263 64.672 63.200 0.348 0.000 1.131 160 S HN 0.067 8.645 8.310 0.446 0.000 0.453 161 H N 3.599 122.856 119.070 0.311 0.000 2.960 161 H HA 0.360 5.173 4.556 0.327 -0.061 0.338 161 H C -1.748 173.736 175.328 0.261 0.000 1.261 161 H CA -1.095 55.141 56.048 0.313 0.000 1.136 161 H CB 2.122 32.083 29.762 0.332 0.000 1.875 161 H HN 0.188 8.191 8.280 -0.462 0.000 0.550 162 Q N -1.192 118.871 119.800 0.438 0.000 3.605 162 Q HA 0.271 4.647 4.340 0.061 0.000 0.222 162 Q C -1.100 174.906 176.000 0.010 0.000 0.915 162 Q CA -0.824 55.102 55.803 0.204 0.000 0.731 162 Q CB 1.266 30.169 28.738 0.274 0.000 1.423 162 Q HN 0.257 8.723 8.270 0.496 0.102 0.446 163 F N -0.338 119.665 119.950 0.088 0.000 2.506 163 F HA -0.142 4.237 4.527 -0.248 0.000 0.351 163 F C -0.468 175.052 175.800 -0.467 0.000 1.136 163 F CA -0.591 57.297 58.000 -0.187 0.000 1.298 163 F CB 0.345 39.293 39.000 -0.087 0.000 1.145 163 F HN -0.049 8.507 8.300 0.426 0.000 0.593 164 Q N 1.999 121.378 119.800 -0.701 0.000 4.079 164 Q HA 0.340 4.401 4.340 -0.465 0.000 0.178 164 Q C -2.261 173.256 176.000 -0.805 0.000 0.810 164 Q CA -1.403 53.872 55.803 -0.880 0.000 0.819 164 Q CB 0.112 27.949 28.738 -1.502 0.000 1.558 164 Q HN -0.144 8.022 8.270 -0.580 -0.244 0.423 165 P HA -0.156 3.986 4.420 -0.463 0.000 0.214 165 P C 1.301 178.235 177.300 -0.611 0.000 1.162 165 P CA 1.646 64.473 63.100 -0.456 0.000 0.879 165 P CB 0.394 31.929 31.700 -0.274 0.000 0.786 166 K N -3.289 116.869 120.400 -0.403 0.000 2.521 166 K HA -0.271 3.816 4.320 -0.388 0.000 0.198 166 K C 0.384 176.798 176.600 -0.310 0.000 1.046 166 K CA 2.390 58.475 56.287 -0.337 0.000 0.931 166 K CB -1.105 31.301 32.500 -0.158 0.000 0.764 166 K HN 0.583 8.663 8.250 -0.283 0.000 0.487 167 N N -4.104 114.396 118.700 -0.333 0.000 2.193 167 N HA 0.014 4.811 4.740 0.095 0.000 0.210 167 N C -0.886 174.668 175.510 0.074 0.000 1.215 167 N CA -0.043 53.001 53.050 -0.010 0.000 0.901 167 N CB 2.482 41.147 38.487 0.296 0.000 1.060 167 N HN -0.740 7.110 8.380 -0.470 0.248 0.508 168 F N -1.153 118.676 119.950 -0.202 0.000 2.305 168 F HA -0.392 4.041 4.527 -0.158 0.000 0.450 168 F C -1.612 173.956 175.800 -0.386 0.000 1.197 168 F CA 1.377 59.250 58.000 -0.212 0.000 1.457 168 F CB -1.990 36.916 39.000 -0.156 0.000 2.232 168 F HN 0.364 8.081 8.300 -0.657 0.190 0.758 169 W N -1.330 119.827 121.300 -0.239 0.000 4.149 169 W HA 0.101 4.899 4.660 -0.045 -0.165 0.261 169 W C -2.801 173.700 176.519 -0.030 0.000 1.215 169 W CA -0.890 56.274 57.345 -0.301 0.000 1.242 169 W CB 0.364 29.161 29.460 -1.105 0.000 1.114 169 W HN -0.818 7.160 8.180 -0.337 0.000 0.564 170 N N 0.756 119.646 118.700 0.317 0.000 2.455 170 N HA 0.453 5.272 4.740 -0.100 -0.139 0.278 170 N C -1.725 174.065 175.510 0.467 0.000 1.291 170 N CA -0.669 52.507 53.050 0.210 0.000 0.780 170 N CB 4.365 42.915 38.487 0.105 0.000 1.520 170 N HN 0.231 8.784 8.380 0.470 0.109 0.486 171 G N -1.965 107.098 108.800 0.438 0.000 2.690 171 G HA2 0.676 5.067 3.960 0.390 0.000 0.291 171 G HA3 0.676 4.913 3.960 0.461 0.000 0.291 171 G C -2.675 172.477 174.900 0.420 0.000 1.403 171 G CA -0.800 44.558 45.100 0.430 0.000 0.864 171 G HN 0.187 8.703 8.290 0.377 0.000 0.480 172 R N -0.138 120.598 120.500 0.394 0.000 2.633 172 R HA 0.550 5.304 4.340 0.520 -0.102 0.255 172 R C -2.978 173.564 176.300 0.404 0.000 1.106 172 R CA -0.279 56.082 56.100 0.435 0.000 0.959 172 R CB 3.956 34.485 30.300 0.380 0.000 1.259 172 R HN -0.030 8.452 8.270 0.352 0.000 0.453 173 W N 6.716 128.181 121.300 0.275 0.000 2.520 173 W HA 0.445 5.250 4.660 0.242 0.000 0.323 173 W C -2.218 174.418 176.519 0.195 0.000 1.062 173 W CA -1.524 55.970 57.345 0.249 0.000 1.215 173 W CB 3.784 33.410 29.460 0.277 0.000 1.340 173 W HN 1.351 9.779 8.180 0.584 0.102 0.516 174 R N 3.831 124.348 120.500 0.029 0.000 2.807 174 R HA 0.807 5.278 4.340 -0.028 -0.147 0.276 174 R C -1.118 175.226 176.300 0.073 0.000 0.979 174 R CA -1.393 54.709 56.100 0.003 0.000 0.928 174 R CB 4.293 34.572 30.300 -0.035 0.000 1.191 174 R HN 0.321 8.257 8.270 -0.556 0.000 0.471 175 S N -0.184 115.486 115.700 -0.050 0.000 2.550 175 S HA 0.258 4.948 4.470 0.136 -0.139 0.274 175 S C -2.263 172.385 174.600 0.079 0.000 1.110 175 S CA 0.153 58.455 58.200 0.169 0.000 1.013 175 S CB 2.402 65.922 63.200 0.533 0.000 1.152 175 S HN 0.259 8.301 8.310 -0.446 0.000 0.450 176 E N 6.267 126.491 120.200 0.039 0.000 2.165 176 E HA 0.545 5.165 4.350 0.213 -0.141 0.266 176 E C -2.050 174.540 176.600 -0.017 0.000 0.889 176 E CA -1.994 54.477 56.400 0.119 0.000 0.756 176 E CB 3.502 33.318 29.700 0.195 0.000 1.131 176 E HN -0.157 8.175 8.360 -0.047 0.000 0.411 177 W N 5.621 126.950 121.300 0.048 0.000 2.475 177 W HA 0.226 4.895 4.660 0.014 0.000 0.320 177 W C -1.678 174.839 176.519 -0.003 0.000 1.022 177 W CA -1.327 56.027 57.345 0.015 0.000 1.240 177 W CB 2.546 32.004 29.460 -0.004 0.000 1.328 177 W HN 0.368 8.786 8.180 0.396 0.000 0.439 178 K N 4.888 125.357 120.400 0.115 0.000 2.253 178 K HA 0.181 4.520 4.320 0.031 0.000 0.277 178 K C -2.141 174.533 176.600 0.122 0.000 1.053 178 K CA -0.723 55.599 56.287 0.057 0.000 0.892 178 K CB 2.177 34.668 32.500 -0.014 0.000 1.102 178 K HN 0.952 9.094 8.250 0.016 0.118 0.469 179 F N 9.643 129.515 119.950 -0.131 0.000 2.363 179 F HA 0.433 4.846 4.527 -0.191 0.000 0.366 179 F C -0.795 174.874 175.800 -0.219 0.000 1.083 179 F CA -3.710 54.148 58.000 -0.236 0.000 1.176 179 F CB 0.768 39.474 39.000 -0.489 0.000 1.432 179 F HN -0.047 8.197 8.300 0.068 0.097 0.482 180 T N 8.073 122.508 114.554 -0.198 0.000 6.163 180 T HA -0.263 3.919 4.350 -0.355 -0.045 0.428 180 T C -0.437 173.791 174.700 -0.787 0.000 0.855 180 T CA 1.937 63.812 62.100 -0.374 0.000 0.850 180 T CB 0.228 69.008 68.868 -0.148 0.000 0.964 180 T HN 0.276 8.541 8.240 0.041 0.000 0.310 181 I N -0.798 119.503 120.570 -0.449 0.000 2.882 181 I HA 0.040 3.851 4.170 -0.598 0.000 0.298 181 I C -1.427 174.594 176.117 -0.160 0.000 1.462 181 I CA -0.418 60.608 61.300 -0.456 0.000 1.000 181 I CB 3.045 40.721 38.000 -0.539 0.000 1.340 181 I HN -0.188 7.873 8.210 -0.248 0.000 0.462 182 T N 0.847 115.361 114.554 -0.068 0.000 3.953 182 T HA -0.004 4.336 4.350 -0.017 0.000 0.147 182 T C -1.798 172.949 174.700 0.079 0.000 0.481 182 T CA -0.608 61.496 62.100 0.006 0.000 0.870 182 T CB -1.479 67.398 68.868 0.015 0.000 1.370 182 T HN 0.045 8.239 8.240 -0.077 0.000 0.516 183 P HA -0.051 4.489 4.420 0.200 0.000 0.238 183 P C -1.484 175.882 177.300 0.109 0.000 1.168 183 P CA 1.174 64.363 63.100 0.148 0.000 0.768 183 P CB -1.098 30.697 31.700 0.159 0.000 0.834 184 P HA 0.004 4.459 4.420 0.059 0.000 0.245 184 P C -0.345 176.996 177.300 0.068 0.000 1.212 184 P CA 0.706 63.846 63.100 0.066 0.000 0.774 184 P CB 0.357 32.087 31.700 0.050 0.000 0.999 185 T N -4.983 109.624 114.554 0.088 0.000 4.880 185 T HA -0.110 4.281 4.350 0.068 0.000 0.285 185 T C -1.795 172.969 174.700 0.106 0.000 1.378 185 T CA 1.099 63.247 62.100 0.080 0.000 1.155 185 T CB 0.767 69.672 68.868 0.062 0.000 0.810 185 T HN -0.572 7.659 8.240 0.111 0.075 0.608 186 A N 0.252 123.162 122.820 0.151 0.000 2.434 186 A HA -0.387 4.120 4.320 0.313 0.000 0.686 186 A C -1.907 175.773 177.584 0.159 0.000 0.138 186 A CA 1.078 53.245 52.037 0.217 0.000 0.027 186 A CB -1.015 18.113 19.000 0.213 0.000 3.972 186 A HN -0.576 7.660 8.150 0.144 0.000 0.548 187 Q N 4.393 124.304 119.800 0.185 0.000 3.081 187 Q HA 0.118 4.472 4.340 0.103 0.048 0.219 187 Q C -0.901 175.176 176.000 0.128 0.000 1.169 187 Q CA -0.810 55.071 55.803 0.130 0.000 0.309 187 Q CB 1.974 30.776 28.738 0.106 0.000 5.821 187 Q HN 0.230 8.663 8.270 0.272 0.000 0.320 188 V N -4.751 115.243 119.914 0.134 0.000 2.585 188 V HA -0.205 4.124 4.120 0.169 -0.107 0.302 188 V C -2.196 173.943 176.094 0.075 0.000 1.892 188 V CA 0.139 62.521 62.300 0.137 0.000 0.839 188 V CB 1.598 33.523 31.823 0.170 0.000 1.279 188 V HN 0.025 8.288 8.190 0.122 0.000 0.319 189 A N -0.943 121.898 122.820 0.035 0.000 1.985 189 A HA 0.266 4.703 4.320 -0.133 -0.197 0.278 189 A C -2.526 174.919 177.584 -0.233 0.000 0.983 189 A CA 0.338 52.318 52.037 -0.095 0.000 0.910 189 A CB 1.449 20.420 19.000 -0.048 0.000 0.978 189 A HN 0.032 8.251 8.150 0.114 0.000 0.336 190 A N 3.646 126.143 122.820 -0.537 0.000 2.548 190 A HA 1.094 5.186 4.320 -0.483 -0.061 0.282 190 A C -2.756 174.474 177.584 -0.591 0.000 1.288 190 A CA -1.860 49.697 52.037 -0.800 0.000 0.748 190 A CB 4.252 21.933 19.000 -2.200 0.000 1.339 190 A HN 0.381 8.208 8.150 -0.537 0.000 0.475 191 V N -1.560 118.023 119.914 -0.553 0.000 2.781 191 V HA 0.502 4.619 4.120 -0.329 -0.194 0.289 191 V C -2.439 173.501 176.094 -0.256 0.000 1.275 191 V CA -0.746 61.360 62.300 -0.323 0.000 0.936 191 V CB 2.812 34.528 31.823 -0.179 0.000 1.074 191 V HN 0.094 7.885 8.190 -0.664 0.000 0.444 192 L N 8.750 129.793 121.223 -0.300 0.000 2.421 192 L HA 0.413 4.803 4.340 -0.099 -0.110 0.263 192 L C -0.476 176.211 176.870 -0.305 0.000 1.122 192 L CA -1.132 53.534 54.840 -0.289 0.000 0.804 192 L CB 0.328 42.060 42.059 -0.546 0.000 1.150 192 L HN 0.813 8.824 8.230 -0.365 0.000 0.457 193 K N -1.112 119.085 120.400 -0.338 0.000 2.546 193 K HA 0.637 5.058 4.320 -0.115 -0.170 0.264 193 K C -1.966 174.373 176.600 -0.436 0.000 0.937 193 K CA -0.604 55.541 56.287 -0.236 0.000 0.833 193 K CB 4.698 37.150 32.500 -0.081 0.000 1.378 193 K HN 0.033 8.031 8.250 -0.420 0.000 0.432 194 I N 1.750 122.190 120.570 -0.216 0.000 2.644 194 I HA 0.502 4.652 4.170 -0.259 -0.136 0.291 194 I C -3.108 173.017 176.117 0.013 0.000 1.180 194 I CA -1.734 59.447 61.300 -0.200 0.000 1.040 194 I CB 4.600 42.446 38.000 -0.256 0.000 1.255 194 I HN 0.799 8.969 8.210 -0.067 0.000 0.422 195 Q N 7.979 127.837 119.800 0.096 0.000 2.289 195 Q HA 0.521 5.164 4.340 0.143 -0.218 0.270 195 Q C -2.542 173.596 176.000 0.231 0.000 1.038 195 Q CA -1.448 54.452 55.803 0.160 0.000 0.812 195 Q CB 4.544 33.382 28.738 0.168 0.000 1.300 195 Q HN -0.092 8.245 8.270 0.113 0.000 0.427 196 V N 5.704 125.765 119.914 0.245 0.000 2.709 196 V HA 0.705 5.210 4.120 0.362 -0.169 0.308 196 V C -1.988 174.311 176.094 0.340 0.000 1.062 196 V CA -1.329 61.159 62.300 0.314 0.000 0.901 196 V CB 3.179 35.174 31.823 0.287 0.000 1.003 196 V HN -0.149 8.165 8.190 0.207 0.000 0.425 197 H N 7.132 126.399 119.070 0.329 0.000 2.637 197 H HA 0.624 5.528 4.556 0.299 -0.169 0.363 197 H C -1.845 173.737 175.328 0.423 0.000 1.131 197 H CA -2.254 53.989 56.048 0.325 0.000 1.183 197 H CB 4.348 34.265 29.762 0.259 0.000 1.637 197 H HN 1.143 9.622 8.280 0.516 0.111 0.531 198 Y N 7.802 128.233 120.300 0.218 0.000 2.484 198 Y HA 0.181 5.242 4.550 0.602 -0.150 0.348 198 Y C -2.339 173.774 175.900 0.356 0.000 1.103 198 Y CA -0.876 57.457 58.100 0.388 0.000 1.317 198 Y CB 2.156 40.757 38.460 0.235 0.000 1.096 198 Y HN 0.426 8.606 8.280 -0.167 0.000 0.568 199 Y N 7.736 128.354 120.300 0.529 0.000 2.804 199 Y HA 0.174 4.878 4.550 0.256 0.000 0.330 199 Y C -1.997 173.961 175.900 0.098 0.000 1.092 199 Y CA -1.950 56.362 58.100 0.355 0.000 1.315 199 Y CB -0.396 38.328 38.460 0.440 0.000 1.188 199 Y HN -0.146 8.601 8.280 0.779 0.000 0.512 200 E N 5.903 126.046 120.200 -0.096 0.000 3.846 200 E HA 0.134 3.701 4.350 -1.306 0.000 0.216 200 E C -1.156 175.275 176.600 -0.281 0.000 1.092 200 E CA -0.705 55.436 56.400 -0.432 0.000 1.370 200 E CB 0.618 30.434 29.700 0.192 0.000 1.227 200 E HN -0.084 8.428 8.360 0.253 0.000 0.442 201 D N -3.391 116.849 120.400 -0.267 0.000 2.742 201 D HA -0.159 4.461 4.640 -0.033 0.000 0.181 201 D C -1.245 175.122 176.300 0.112 0.000 0.857 201 D CA 0.624 54.602 54.000 -0.037 0.000 0.957 201 D CB -0.822 39.949 40.800 -0.049 0.000 1.047 201 D HN 0.155 8.265 8.370 -0.433 0.000 0.466 202 G N 0.325 109.260 108.800 0.224 0.000 3.159 202 G HA2 0.080 4.122 3.960 0.136 0.000 0.150 202 G HA3 0.080 4.115 3.960 0.124 0.000 0.150 202 G C -2.805 172.235 174.900 0.234 0.000 1.193 202 G CA 0.369 45.578 45.100 0.182 0.000 1.177 202 G HN -0.246 8.175 8.290 0.303 0.051 0.635 203 N N 0.835 119.620 118.700 0.142 0.000 3.261 203 N HA 0.075 4.891 4.740 0.127 0.000 0.227 203 N C -1.988 173.517 175.510 -0.008 0.000 1.338 203 N CA 0.497 53.592 53.050 0.076 0.000 0.833 203 N CB 1.577 40.087 38.487 0.039 0.000 1.606 203 N HN 0.033 8.476 8.380 0.105 0.000 0.649 204 V N 5.222 125.101 119.914 -0.058 0.000 2.531 204 V HA 0.268 4.373 4.120 -0.025 0.000 0.301 204 V C -2.044 173.988 176.094 -0.104 0.000 1.034 204 V CA -0.833 61.444 62.300 -0.039 0.000 0.865 204 V CB 2.532 34.371 31.823 0.026 0.000 0.995 204 V HN -0.197 7.960 8.190 -0.056 0.000 0.424 205 Q N 3.635 123.410 119.800 -0.043 0.000 2.421 205 Q HA 0.933 5.503 4.340 0.050 -0.200 0.280 205 Q C -1.085 174.957 176.000 0.071 0.000 1.085 205 Q CA -1.859 53.956 55.803 0.020 0.000 0.807 205 Q CB 4.239 33.002 28.738 0.041 0.000 1.405 205 Q HN 0.216 8.476 8.270 -0.016 0.000 0.419 206 L N 4.607 125.898 121.223 0.113 0.000 2.408 206 L HA 0.358 4.729 4.340 0.051 0.000 0.257 206 L C -2.047 174.876 176.870 0.089 0.000 1.053 206 L CA -0.728 54.166 54.840 0.091 0.000 0.922 206 L CB 1.293 43.430 42.059 0.131 0.000 1.261 206 L HN 0.482 8.771 8.230 0.151 0.031 0.458 207 V N 7.410 127.369 119.914 0.074 0.000 2.406 207 V HA 0.443 4.779 4.120 0.102 -0.155 0.272 207 V C -0.169 175.964 176.094 0.065 0.000 1.043 207 V CA 0.244 62.597 62.300 0.089 0.000 0.915 207 V CB 0.528 32.413 31.823 0.104 0.000 0.988 207 V HN 0.141 8.368 8.190 0.061 0.000 0.466 208 S N 7.193 122.937 115.700 0.074 0.000 2.541 208 S HA 0.367 4.796 4.470 -0.069 0.000 0.271 208 S C -2.536 172.116 174.600 0.087 0.000 1.133 208 S CA -0.493 57.723 58.200 0.027 0.000 0.876 208 S CB 2.539 65.761 63.200 0.037 0.000 1.105 208 S HN 0.416 8.778 8.310 0.086 0.000 0.470 209 H N -0.924 118.171 119.070 0.041 0.000 3.079 209 H HA 0.514 5.091 4.556 -0.184 -0.131 0.356 209 H C -1.990 173.266 175.328 -0.121 0.000 1.221 209 H CA -1.070 54.925 56.048 -0.088 0.000 1.185 209 H CB 3.092 32.804 29.762 -0.083 0.000 1.882 209 H HN 0.166 8.161 8.280 -0.475 0.000 0.543 210 K N 2.214 122.477 120.400 -0.228 0.000 2.507 210 K HA 0.338 4.612 4.320 -0.078 0.000 0.251 210 K C -1.873 174.621 176.600 -0.176 0.000 0.943 210 K CA -1.448 54.716 56.287 -0.205 0.000 0.794 210 K CB 3.059 35.352 32.500 -0.345 0.000 1.188 210 K HN 0.193 8.230 8.250 -0.355 0.000 0.428 211 D N 4.592 124.944 120.400 -0.080 0.000 2.233 211 D HA 0.189 4.838 4.640 -0.186 -0.121 0.240 211 D C -1.381 174.845 176.300 -0.122 0.000 1.074 211 D CA -1.350 52.580 54.000 -0.117 0.000 0.838 211 D CB 0.697 41.462 40.800 -0.058 0.000 1.124 211 D HN 0.086 8.442 8.370 -0.023 0.000 0.475 212 I N 1.050 121.503 120.570 -0.196 0.000 2.785 212 I HA 0.307 4.434 4.170 -0.073 0.000 0.302 212 I C -2.091 173.941 176.117 -0.142 0.000 1.069 212 I CA -1.508 59.707 61.300 -0.143 0.000 1.045 212 I CB 3.409 41.325 38.000 -0.140 0.000 1.236 212 I HN -0.381 7.653 8.210 -0.292 0.000 0.429 213 Q N 4.481 124.248 119.800 -0.055 0.000 2.526 213 Q HA 0.298 4.614 4.340 -0.040 0.000 0.238 213 Q C -2.879 173.136 176.000 0.026 0.000 0.866 213 Q CA -1.084 54.705 55.803 -0.024 0.000 0.801 213 Q CB 1.677 30.402 28.738 -0.023 0.000 1.380 213 Q HN 0.102 8.358 8.270 -0.024 0.000 0.446 214 D N 2.126 122.564 120.400 0.063 0.000 2.414 214 D HA 0.172 4.850 4.640 0.063 0.000 0.241 214 D C -0.669 175.681 176.300 0.084 0.000 1.008 214 D CA -1.255 52.794 54.000 0.082 0.000 1.001 214 D CB 2.982 43.852 40.800 0.116 0.000 1.277 214 D HN -0.210 8.206 8.370 0.075 0.000 0.538 215 S N -0.295 115.450 115.700 0.075 0.000 2.601 215 S HA 0.091 4.603 4.470 0.089 0.012 0.312 215 S C -1.004 173.643 174.600 0.077 0.000 1.107 215 S CA -1.101 57.145 58.200 0.077 0.000 1.129 215 S CB 0.700 63.937 63.200 0.062 0.000 0.982 215 S HN 0.066 8.416 8.310 0.067 0.000 0.469 216 V N 4.341 124.310 119.914 0.092 0.000 3.134 216 V HA -0.015 4.139 4.120 0.057 0.000 0.313 216 V C -0.709 175.436 176.094 0.084 0.000 1.069 216 V CA -1.385 60.964 62.300 0.081 0.000 1.048 216 V CB 1.727 33.617 31.823 0.111 0.000 1.119 216 V HN 0.352 8.494 8.190 0.104 0.110 0.461 217 Q N 1.519 121.348 119.800 0.048 0.000 2.290 217 Q HA 0.132 4.624 4.340 0.080 -0.103 0.259 217 Q C -0.921 175.111 176.000 0.054 0.000 0.941 217 Q CA -1.026 54.809 55.803 0.054 0.000 0.912 217 Q CB 1.528 30.281 28.738 0.026 0.000 1.244 217 Q HN -0.217 8.208 8.270 0.015 -0.146 0.441 218 V N 4.690 124.680 119.914 0.127 0.000 2.546 218 V HA -0.054 4.162 4.120 0.160 0.000 0.284 218 V C -0.235 175.937 176.094 0.130 0.000 1.050 218 V CA 0.278 62.689 62.300 0.185 0.000 0.981 218 V CB 0.513 32.523 31.823 0.312 0.000 0.990 218 V HN 0.357 8.558 8.190 0.139 0.073 0.474 219 S N 6.328 122.095 115.700 0.111 0.000 3.571 219 S HA -0.005 4.513 4.470 0.079 0.000 0.175 219 S C -0.495 174.164 174.600 0.099 0.000 0.907 219 S CA -0.505 57.739 58.200 0.074 0.000 1.087 219 S CB 0.762 63.964 63.200 0.004 0.000 1.471 219 S HN 0.272 8.648 8.310 0.111 0.000 0.877 220 S N 2.022 117.747 115.700 0.041 0.000 2.623 220 S HA 0.080 4.562 4.470 0.021 0.000 0.287 220 S C 0.100 174.697 174.600 -0.005 0.000 1.123 220 S CA -0.571 57.634 58.200 0.010 0.000 1.016 220 S CB 1.030 64.211 63.200 -0.033 0.000 1.233 220 S HN -0.187 8.123 8.310 0.000 0.000 0.512 221 D N 1.456 121.787 120.400 -0.115 0.000 2.232 221 D HA -0.057 4.417 4.640 -0.278 0.000 0.220 221 D C 1.477 177.724 176.300 -0.089 0.000 0.982 221 D CA 2.492 56.370 54.000 -0.204 0.000 0.892 221 D CB 0.016 40.628 40.800 -0.313 0.000 1.040 221 D HN 0.318 8.619 8.370 -0.116 0.000 0.463 222 V N -0.753 119.110 119.914 -0.085 0.000 2.809 222 V HA -0.408 3.687 4.120 -0.042 0.000 0.256 222 V C 1.740 177.788 176.094 -0.076 0.000 1.080 222 V CA 3.507 65.771 62.300 -0.061 0.000 1.102 222 V CB 0.215 32.005 31.823 -0.055 0.000 0.705 222 V HN 0.131 8.263 8.190 -0.097 0.000 0.475 223 Q N -0.849 118.900 119.800 -0.086 0.000 1.994 223 Q HA -0.220 4.055 4.340 -0.108 0.000 0.198 223 Q C 1.946 177.820 176.000 -0.209 0.000 0.976 223 Q CA 3.460 59.193 55.803 -0.115 0.000 0.828 223 Q CB -0.348 28.338 28.738 -0.086 0.000 0.894 223 Q HN 0.204 8.397 8.270 -0.075 0.032 0.432 224 T N 1.535 115.957 114.554 -0.219 0.000 2.737 224 T HA -0.381 3.592 4.350 -0.630 0.000 0.269 224 T C 1.460 175.613 174.700 -0.912 0.000 1.040 224 T CA 3.590 65.371 62.100 -0.531 0.000 1.142 224 T CB -0.240 68.538 68.868 -0.149 0.000 0.861 224 T HN -0.653 7.418 8.240 -0.105 0.106 0.456 225 A N 0.816 123.459 122.820 -0.296 0.000 1.851 225 A HA -0.371 4.081 4.320 0.220 0.000 0.216 225 A C 1.657 179.135 177.584 -0.177 0.000 1.195 225 A CA 3.448 55.443 52.037 -0.069 0.000 0.622 225 A CB -0.738 18.296 19.000 0.055 0.000 0.831 225 A HN -0.484 7.575 8.150 -0.129 0.014 0.444 226 K N -2.167 118.128 120.400 -0.175 0.000 2.152 226 K HA -0.389 3.871 4.320 -0.100 0.000 0.206 226 K C 2.464 178.932 176.600 -0.219 0.000 1.048 226 K CA 3.326 59.523 56.287 -0.150 0.000 0.933 226 K CB -0.226 32.206 32.500 -0.114 0.000 0.721 226 K HN -0.619 7.538 8.250 -0.154 0.000 0.447 227 E N -0.431 119.546 120.200 -0.372 0.000 2.106 227 E HA -0.274 3.925 4.350 -0.251 0.000 0.192 227 E C 2.428 178.826 176.600 -0.336 0.000 0.984 227 E CA 2.988 59.152 56.400 -0.394 0.000 0.806 227 E CB -0.130 29.249 29.700 -0.536 0.000 0.750 227 E HN -0.517 7.448 8.360 -0.447 0.126 0.458 228 F N -1.384 118.438 119.950 -0.214 0.000 2.084 228 F HA -0.343 3.994 4.527 -0.316 0.000 0.296 228 F C 2.095 177.669 175.800 -0.377 0.000 1.111 228 F CA 2.375 60.196 58.000 -0.298 0.000 1.224 228 F CB -0.713 38.123 39.000 -0.274 0.000 0.991 228 F HN -0.279 7.448 8.300 -0.790 0.099 0.471 229 I N -3.021 117.466 120.570 -0.139 0.000 2.399 229 I HA -0.544 3.340 4.170 -0.475 0.000 0.254 229 I C 1.843 177.724 176.117 -0.394 0.000 1.146 229 I CA 2.023 63.129 61.300 -0.324 0.000 1.412 229 I CB -1.853 36.036 38.000 -0.185 0.000 1.076 229 I HN 0.031 8.207 8.210 -0.056 0.000 0.432 230 K N -0.041 120.210 120.400 -0.249 0.000 2.103 230 K HA -0.219 3.996 4.320 -0.176 0.000 0.204 230 K C 2.355 178.828 176.600 -0.212 0.000 1.052 230 K CA 3.239 59.409 56.287 -0.195 0.000 0.945 230 K CB -0.191 32.231 32.500 -0.131 0.000 0.722 230 K HN -0.623 7.363 8.250 -0.205 0.141 0.443 231 I N -0.049 120.383 120.570 -0.230 0.000 2.252 231 I HA -0.399 3.718 4.170 -0.088 0.000 0.245 231 I C 1.695 177.587 176.117 -0.375 0.000 1.102 231 I CA 3.636 64.818 61.300 -0.197 0.000 1.385 231 I CB 0.056 37.988 38.000 -0.114 0.000 1.064 231 I HN -0.341 7.631 8.210 -0.215 0.110 0.414 232 I N -0.717 119.388 120.570 -0.775 0.000 2.286 232 I HA -0.614 2.847 4.170 -1.183 0.000 0.245 232 I C 1.427 177.260 176.117 -0.472 0.000 1.104 232 I CA 4.653 65.350 61.300 -1.005 0.000 1.397 232 I CB -0.637 36.538 38.000 -1.375 0.000 1.072 232 I HN 0.022 7.791 8.210 -0.736 0.000 0.417 233 E N 1.173 121.023 120.200 -0.583 0.000 2.058 233 E HA -0.413 3.890 4.350 -0.077 0.000 0.194 233 E C 2.489 179.057 176.600 -0.054 0.000 0.997 233 E CA 3.307 59.552 56.400 -0.258 0.000 0.801 233 E CB -0.417 29.187 29.700 -0.160 0.000 0.746 233 E HN -0.155 7.784 8.360 -0.703 0.000 0.450 234 N N -0.547 118.116 118.700 -0.062 0.000 2.142 234 N HA -0.235 4.517 4.740 0.019 0.000 0.186 234 N C 1.940 177.502 175.510 0.087 0.000 1.023 234 N CA 2.883 55.941 53.050 0.013 0.000 0.852 234 N CB -0.207 38.285 38.487 0.007 0.000 0.998 234 N HN -0.328 7.975 8.380 -0.129 0.000 0.424 235 A N 0.320 123.217 122.820 0.128 0.000 1.858 235 A HA -0.292 4.172 4.320 0.240 0.000 0.216 235 A C 2.087 179.871 177.584 0.334 0.000 1.190 235 A CA 3.062 55.265 52.037 0.277 0.000 0.617 235 A CB -0.656 18.657 19.000 0.520 0.000 0.827 235 A HN 0.208 8.280 8.150 0.051 0.109 0.443 236 E N -1.467 118.940 120.200 0.344 0.000 2.077 236 E HA -0.392 4.311 4.350 0.588 0.000 0.193 236 E C 1.959 178.742 176.600 0.305 0.000 0.989 236 E CA 3.117 59.773 56.400 0.427 0.000 0.800 236 E CB -0.195 29.751 29.700 0.409 0.000 0.746 236 E HN 0.609 8.994 8.360 0.255 0.129 0.452 237 N N -1.121 117.668 118.700 0.149 0.000 2.120 237 N HA -0.358 4.387 4.740 0.008 0.000 0.188 237 N C 1.916 177.492 175.510 0.110 0.000 1.024 237 N CA 2.999 56.087 53.050 0.064 0.000 0.852 237 N CB 0.167 38.659 38.487 0.008 0.000 1.003 237 N HN -0.098 8.249 8.380 0.125 0.108 0.424 238 E N 0.231 120.523 120.200 0.153 0.000 2.150 238 E HA -0.338 4.072 4.350 0.099 0.000 0.193 238 E C 2.014 178.734 176.600 0.199 0.000 0.985 238 E CA 2.751 59.239 56.400 0.148 0.000 0.814 238 E CB 0.018 29.808 29.700 0.149 0.000 0.752 238 E HN -0.251 8.117 8.360 0.165 0.091 0.466 239 Y N 1.190 121.585 120.300 0.159 0.000 2.200 239 Y HA -0.356 4.272 4.550 0.129 0.000 0.290 239 Y C 2.032 178.053 175.900 0.201 0.000 1.137 239 Y CA 3.070 61.279 58.100 0.181 0.000 1.163 239 Y CB 0.061 38.675 38.460 0.257 0.000 0.988 239 Y HN -0.044 8.373 8.280 0.411 0.110 0.518 240 Q N -1.950 117.927 119.800 0.127 0.000 2.119 240 Q HA -0.284 4.043 4.340 -0.021 0.000 0.201 240 Q C 2.492 178.481 176.000 -0.019 0.000 0.972 240 Q CA 2.975 58.807 55.803 0.048 0.000 0.847 240 Q CB -0.438 28.366 28.738 0.111 0.000 0.903 240 Q HN 0.182 8.634 8.270 0.304 0.000 0.433 241 T N 2.747 117.308 114.554 0.011 0.000 2.708 241 T HA -0.316 4.036 4.350 0.004 0.000 0.266 241 T C 1.587 176.281 174.700 -0.010 0.000 1.037 241 T CA 4.587 66.691 62.100 0.006 0.000 1.146 241 T CB -0.450 68.433 68.868 0.024 0.000 0.865 241 T HN -0.109 8.160 8.240 0.049 0.000 0.435 242 A N 1.200 124.006 122.820 -0.023 0.000 1.972 242 A HA -0.151 4.163 4.320 -0.010 0.000 0.219 242 A C 1.835 179.372 177.584 -0.078 0.000 1.169 242 A CA 2.674 54.691 52.037 -0.035 0.000 0.635 242 A CB -0.737 18.256 19.000 -0.012 0.000 0.810 242 A HN -0.376 7.770 8.150 -0.006 0.000 0.446 243 I N -1.328 119.155 120.570 -0.146 0.000 2.202 243 I HA -0.552 3.522 4.170 -0.159 0.000 0.242 243 I C 1.569 177.704 176.117 0.029 0.000 1.091 243 I CA 3.793 65.016 61.300 -0.128 0.000 1.368 243 I CB -0.004 37.879 38.000 -0.195 0.000 1.058 243 I HN -0.578 7.392 8.210 -0.188 0.128 0.410 244 S N -0.495 115.236 115.700 0.051 0.000 2.399 244 S HA -0.415 4.166 4.470 0.184 0.000 0.231 244 S C 2.251 176.904 174.600 0.087 0.000 1.022 244 S CA 3.856 62.114 58.200 0.098 0.000 0.983 244 S CB -0.475 62.746 63.200 0.036 0.000 0.803 244 S HN -0.136 8.178 8.310 0.007 0.000 0.480 245 E N 2.195 122.417 120.200 0.037 0.000 2.072 245 E HA -0.297 4.071 4.350 0.030 0.000 0.191 245 E C 2.059 178.672 176.600 0.021 0.000 0.985 245 E CA 2.977 59.392 56.400 0.025 0.000 0.801 245 E CB -0.191 29.514 29.700 0.008 0.000 0.750 245 E HN -0.454 7.814 8.360 0.016 0.101 0.452 246 N N -1.037 117.657 118.700 -0.011 0.000 2.223 246 N HA -0.265 4.448 4.740 -0.046 0.000 0.185 246 N C 2.096 177.566 175.510 -0.067 0.000 1.016 246 N CA 2.741 55.754 53.050 -0.062 0.000 0.863 246 N CB -0.306 38.102 38.487 -0.132 0.000 0.983 246 N HN -0.452 7.838 8.380 -0.019 0.078 0.429 247 Y N -0.422 119.853 120.300 -0.040 0.000 2.274 247 Y HA -0.252 4.269 4.550 -0.048 0.000 0.290 247 Y C 1.584 177.460 175.900 -0.041 0.000 1.145 247 Y CA 3.409 61.482 58.100 -0.046 0.000 1.203 247 Y CB -0.154 38.274 38.460 -0.053 0.000 0.984 247 Y HN -0.394 7.850 8.280 0.115 0.106 0.533 248 Q N -2.555 117.326 119.800 0.134 0.000 2.020 248 Q HA -0.220 4.163 4.340 0.071 0.000 0.198 248 Q C 2.289 178.321 176.000 0.053 0.000 0.974 248 Q CA 2.610 58.457 55.803 0.073 0.000 0.829 248 Q CB -0.197 28.569 28.738 0.046 0.000 0.894 248 Q HN -0.658 7.555 8.270 0.122 0.130 0.433 249 T N 2.499 117.075 114.554 0.036 0.000 2.833 249 T HA -0.262 4.107 4.350 0.032 0.000 0.269 249 T C 1.742 176.463 174.700 0.036 0.000 1.054 249 T CA 4.412 66.528 62.100 0.028 0.000 1.135 249 T CB -0.524 68.350 68.868 0.011 0.000 0.869 249 T HN -0.243 8.015 8.240 0.031 0.000 0.466 250 M N -1.616 117.997 119.600 0.021 0.000 2.557 250 M HA -0.174 4.328 4.480 0.037 0.000 0.259 250 M C 0.763 177.110 176.300 0.078 0.000 1.086 250 M CA 2.987 58.301 55.300 0.024 0.000 1.096 250 M CB -0.004 32.557 32.600 -0.066 0.000 1.424 250 M HN 0.119 8.295 8.290 0.007 0.118 0.488 251 S N -2.557 113.188 115.700 0.075 0.000 2.526 251 S HA 0.019 4.516 4.470 0.046 0.000 0.220 251 S C 0.141 174.807 174.600 0.109 0.000 1.017 251 S CA 1.381 59.620 58.200 0.064 0.000 0.930 251 S CB 1.263 64.473 63.200 0.016 0.000 0.856 251 S HN -0.459 7.700 8.310 0.068 0.191 0.497 252 D N 0.545 121.000 120.400 0.091 0.000 2.945 252 D HA 0.342 5.037 4.640 0.091 0.000 0.366 252 D C -1.269 175.070 176.300 0.065 0.000 1.352 252 D CA -0.663 53.383 54.000 0.076 0.000 0.810 252 D CB 0.277 41.105 40.800 0.048 0.000 1.170 252 D HN -0.193 8.095 8.370 0.078 0.129 0.461 253 T N -0.835 113.768 114.554 0.082 0.000 3.669 253 T HA -0.041 4.331 4.350 0.037 0.000 0.170 253 T C 0.813 175.546 174.700 0.055 0.000 0.559 253 T CA 1.216 63.347 62.100 0.052 0.000 0.900 253 T CB 0.882 69.772 68.868 0.036 0.000 0.716 253 T HN -0.406 7.909 8.240 0.124 0.000 0.283 254 T N 4.792 119.385 114.554 0.065 0.000 2.580 254 T HA -0.345 4.024 4.350 0.031 0.000 0.265 254 T C 1.933 176.688 174.700 0.091 0.000 1.063 254 T CA 4.392 66.529 62.100 0.062 0.000 1.170 254 T CB -0.069 68.837 68.868 0.062 0.000 0.863 254 T HN -0.456 7.821 8.240 0.061 0.000 0.418 255 F N 2.352 122.298 119.950 -0.007 0.000 2.043 255 F HA -0.429 4.096 4.527 -0.005 0.000 0.297 255 F C 1.437 177.235 175.800 -0.003 0.000 1.118 255 F CA 3.573 61.571 58.000 -0.003 0.000 1.202 255 F CB -0.104 38.898 39.000 0.002 0.000 0.965 255 F HN -0.662 7.802 8.300 0.274 0.000 0.482 256 K N -5.323 115.070 120.400 -0.013 0.000 2.442 256 K HA -0.308 3.861 4.320 -0.252 0.000 0.198 256 K C 0.228 176.755 176.600 -0.123 0.000 1.044 256 K CA 1.952 58.170 56.287 -0.114 0.000 0.948 256 K CB -0.750 31.758 32.500 0.013 0.000 0.762 256 K HN 0.324 8.688 8.250 0.190 0.000 0.472 257 A N -2.198 120.571 122.820 -0.086 0.000 2.132 257 A HA -0.019 4.266 4.320 -0.059 0.000 0.213 257 A C 0.476 178.002 177.584 -0.096 0.000 1.154 257 A CA 1.400 53.397 52.037 -0.067 0.000 0.753 257 A CB -0.050 18.934 19.000 -0.027 0.000 0.826 257 A HN -0.082 7.807 8.150 -0.049 0.231 0.469 258 L N -1.296 119.834 121.223 -0.156 0.000 1.958 258 L HA -0.154 4.130 4.340 -0.094 0.000 0.211 258 L C 1.448 178.215 176.870 -0.172 0.000 1.139 258 L CA 1.273 56.020 54.840 -0.155 0.000 0.815 258 L CB 0.329 42.276 42.059 -0.186 0.000 0.910 258 L HN -0.290 7.647 8.230 -0.204 0.170 0.456 259 R N -2.029 118.316 120.500 -0.258 0.000 2.608 259 R HA 0.306 4.567 4.340 -0.132 0.000 0.255 259 R C -1.119 175.055 176.300 -0.210 0.000 1.086 259 R CA -0.797 55.184 56.100 -0.198 0.000 1.125 259 R CB 1.811 32.004 30.300 -0.179 0.000 1.193 259 R HN -0.036 8.002 8.270 -0.388 0.000 0.553 260 R N -0.302 120.115 120.500 -0.138 0.000 2.668 260 R HA 0.236 4.502 4.340 -0.124 0.000 0.279 260 R C 0.607 176.854 176.300 -0.087 0.000 0.976 260 R CA -0.486 55.548 56.100 -0.110 0.000 0.978 260 R CB 1.362 31.616 30.300 -0.078 0.000 1.133 260 R HN 0.290 8.495 8.270 -0.109 0.000 0.484 261 Q N 0.029 119.791 119.800 -0.063 0.000 2.432 261 Q HA -0.026 4.300 4.340 -0.023 0.000 0.205 261 Q C -0.713 175.272 176.000 -0.026 0.000 0.945 261 Q CA 0.942 56.728 55.803 -0.029 0.000 0.924 261 Q CB 0.904 29.639 28.738 -0.005 0.000 1.016 261 Q HN 0.381 8.614 8.270 -0.062 0.000 0.503 262 L N -0.974 120.226 121.223 -0.039 0.000 2.611 262 L HA 0.268 4.584 4.340 -0.041 0.000 0.260 262 L C -3.199 173.637 176.870 -0.056 0.000 0.924 262 L CA -2.778 52.037 54.840 -0.042 0.000 0.901 262 L CB 2.723 44.761 42.059 -0.035 0.000 1.369 262 L HN -0.768 7.380 8.230 -0.047 0.054 0.415 263 P HA -0.083 4.286 4.420 -0.085 0.000 0.263 263 P C 0.946 178.202 177.300 -0.073 0.000 1.168 263 P CA -0.044 63.004 63.100 -0.087 0.000 0.759 263 P CB 0.418 32.044 31.700 -0.123 0.000 0.782 264 V N -1.168 118.706 119.914 -0.066 0.000 2.357 264 V HA -0.428 3.664 4.120 -0.047 0.000 0.257 264 V C 0.779 176.840 176.094 -0.055 0.000 1.082 264 V CA 3.039 65.307 62.300 -0.054 0.000 1.078 264 V CB -0.225 31.569 31.823 -0.048 0.000 0.663 264 V HN 0.175 8.324 8.190 -0.068 0.000 0.455 265 T N -6.250 108.262 114.554 -0.069 0.000 3.077 265 T HA -0.242 4.073 4.350 -0.059 0.000 0.269 265 T C 0.513 175.174 174.700 -0.065 0.000 1.146 265 T CA 0.372 62.430 62.100 -0.071 0.000 1.091 265 T CB -0.123 68.687 68.868 -0.097 0.000 0.892 265 T HN -0.641 7.532 8.240 -0.081 0.018 0.533 266 R N 0.597 121.060 120.500 -0.061 0.000 3.205 266 R HA -0.425 3.903 4.340 -0.048 -0.017 0.249 266 R C -1.631 174.635 176.300 -0.056 0.000 0.937 266 R CA 1.227 57.296 56.100 -0.051 0.000 0.641 266 R CB -1.676 28.601 30.300 -0.040 0.000 1.114 266 R HN 0.645 8.627 8.270 -0.063 0.251 0.451 267 T N -2.279 112.233 114.554 -0.070 0.000 4.232 267 T HA -0.084 4.231 4.350 -0.058 0.000 0.407 267 T C -1.870 172.771 174.700 -0.100 0.000 0.981 267 T CA -0.304 61.752 62.100 -0.074 0.000 1.020 267 T CB 0.976 69.800 68.868 -0.074 0.000 1.238 267 T HN -0.292 7.900 8.240 -0.079 0.000 0.443 268 K N 5.558 125.907 120.400 -0.085 0.000 2.508 268 K HA -0.261 3.999 4.320 -0.101 0.000 0.262 268 K C 0.073 176.560 176.600 -0.188 0.000 1.016 268 K CA 1.377 57.601 56.287 -0.106 0.000 1.122 268 K CB 0.129 32.594 32.500 -0.059 0.000 0.778 268 K HN -0.031 8.182 8.250 -0.061 0.000 0.469 269 I N 2.572 122.962 120.570 -0.300 0.000 3.094 269 I HA -0.289 3.648 4.170 -0.388 0.000 0.291 269 I C -0.152 175.675 176.117 -0.484 0.000 1.250 269 I CA 1.242 62.245 61.300 -0.494 0.000 1.401 269 I CB 0.692 38.160 38.000 -0.886 0.000 1.343 269 I HN 0.051 8.099 8.210 -0.270 0.000 0.599 270 D N 8.140 128.276 120.400 -0.441 0.000 3.018 270 D HA 0.451 4.979 4.640 -0.187 0.000 0.331 270 D C 0.112 176.310 176.300 -0.170 0.000 1.334 270 D CA -0.854 52.989 54.000 -0.262 0.000 0.900 270 D CB -1.536 39.136 40.800 -0.213 0.000 1.059 270 D HN 0.364 8.468 8.370 -0.444 0.000 0.498 271 W N 1.273 122.554 121.300 -0.030 0.000 2.238 271 W HA -0.571 4.085 4.660 -0.007 0.000 0.346 271 W C 1.809 178.324 176.519 -0.006 0.000 1.418 271 W CA 3.731 61.069 57.345 -0.013 0.000 1.403 271 W CB -0.900 28.556 29.460 -0.007 0.000 1.083 271 W HN -0.117 7.538 8.180 -0.790 0.052 0.474 272 N N -3.308 115.524 118.700 0.221 0.000 2.242 272 N HA -0.401 4.423 4.740 0.141 0.000 0.191 272 N C 0.894 176.459 175.510 0.092 0.000 1.005 272 N CA 2.827 55.953 53.050 0.128 0.000 0.877 272 N CB -0.708 37.826 38.487 0.079 0.000 0.983 272 N HN 0.247 8.776 8.380 0.242 -0.004 0.439 273 K N -4.992 115.423 120.400 0.024 0.000 2.367 273 K HA 0.125 4.498 4.320 0.090 0.000 0.194 273 K C 0.772 177.438 176.600 0.110 0.000 1.027 273 K CA -0.439 55.833 56.287 -0.025 0.000 1.075 273 K CB 0.411 32.679 32.500 -0.385 0.000 0.845 273 K HN 0.543 8.570 8.250 -0.006 0.220 0.529 274 I N -0.887 119.749 120.570 0.110 0.000 3.956 274 I HA -0.038 4.223 4.170 0.152 0.000 0.333 274 I C 0.033 176.264 176.117 0.190 0.000 1.302 274 I CA -0.534 60.855 61.300 0.149 0.000 1.122 274 I CB 1.019 39.089 38.000 0.117 0.000 1.013 274 I HN 0.185 8.224 8.210 0.115 0.240 0.405 275 L N -0.877 120.456 121.223 0.183 0.000 3.108 275 L HA 0.159 4.580 4.340 0.135 0.000 0.251 275 L C -0.521 176.418 176.870 0.115 0.000 1.315 275 L CA -0.264 54.662 54.840 0.144 0.000 1.048 275 L CB -0.860 41.279 42.059 0.133 0.000 1.432 275 L HN -0.453 7.827 8.230 0.181 0.059 0.543 276 S N -5.397 110.376 115.700 0.121 0.000 1.556 276 S HA -0.136 4.368 4.470 0.058 0.000 0.243 276 S C 0.239 174.896 174.600 0.094 0.000 0.626 276 S CA 0.662 58.915 58.200 0.088 0.000 0.979 276 S CB -0.624 62.622 63.200 0.077 0.000 0.854 276 S HN -0.373 7.950 8.310 0.141 0.073 0.495 277 Y N 5.906 126.220 120.300 0.024 0.000 3.447 277 Y HA -0.383 4.174 4.550 0.012 0.000 0.338 277 Y C -1.344 174.561 175.900 0.008 0.000 1.037 277 Y CA 1.389 59.497 58.100 0.013 0.000 1.720 277 Y CB -1.398 37.066 38.460 0.008 0.000 1.909 277 Y HN 0.305 8.742 8.280 0.261 0.000 0.472 278 K N 1.929 122.220 120.400 -0.182 0.000 2.360 278 K HA 0.084 4.236 4.320 -0.279 0.000 0.235 278 K C -0.658 175.810 176.600 -0.220 0.000 1.077 278 K CA -1.462 54.699 56.287 -0.210 0.000 1.035 278 K CB -1.532 30.921 32.500 -0.079 0.000 1.623 278 K HN 0.967 9.041 8.250 -0.066 0.136 0.462 279 I N -0.918 119.447 120.570 -0.343 0.000 3.419 279 I HA -0.548 3.471 4.170 -0.251 0.000 0.221 279 I C 0.643 176.676 176.117 -0.139 0.000 0.504 279 I CA 0.790 61.957 61.300 -0.222 0.000 1.341 279 I CB -1.133 36.783 38.000 -0.139 0.000 1.099 279 I HN 0.221 8.090 8.210 -0.568 0.000 0.328 280 G N -0.505 108.219 108.800 -0.127 0.000 2.793 280 G HA2 -0.255 3.681 3.960 -0.041 0.000 0.927 280 G HA3 -0.255 3.688 3.960 -0.030 0.000 0.927 280 G C -1.057 173.821 174.900 -0.036 0.000 0.975 280 G CA 0.699 45.767 45.100 -0.053 0.000 1.071 280 G HN -0.060 8.077 8.290 -0.172 0.049 0.985 281 K N 0.000 120.395 120.400 -0.008 0.000 2.780 281 K HA 0.000 4.316 4.320 -0.007 0.000 0.191 281 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 281 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 281 K HN 0.000 8.253 8.250 0.005 0.000 0.543