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 3g5t_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSTFSASDFN SERYSSSRPS YPSDFYKXID EYHDGERKLL VDVGCGPGTA DATA SEQUENCE TLQXAQELKP FEQIIGSDLS ATXIKTAEVI KEGSPDTYKN VSFKISSSDD DATA SEQUENCE FKFLGADSVD KQKIDXITAV ECAHWFDFEK FQRSAYANLR KDGTIAIWGY DATA SEQUENCE ADPIFPDYPE FDDLXIEVPY GKQGLGPYWE QPGRSRLRNX LKDSHLDPEL DATA SEQUENCE FHDIQVSYFC AEDVRDKVKL HQHTKKPLLI RKQVTLVEFA DYVRTWSAYH DATA SEQUENCE QWKQDPKNKD KEDVADWFIK ESLRRRPELS TNTKIEVVWN TFYKLGKRV 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 1 S HA 0.000 3.991 4.470 -0.798 0.000 0.327 1 S C 0.000 174.270 174.600 -0.549 0.000 1.055 1 S CA 0.000 57.583 58.200 -1.029 0.000 1.107 1 S CB 0.000 62.434 63.200 -1.277 0.000 0.593 2 S N 5.869 121.343 115.700 -0.377 0.000 2.440 2 S HA -0.198 4.133 4.470 -0.232 0.000 0.238 2 S C 1.988 176.387 174.600 -0.335 0.000 1.010 2 S CA 2.278 60.316 58.200 -0.271 0.000 0.972 2 S CB -0.352 62.745 63.200 -0.172 0.000 0.774 2 S HN 0.817 8.930 8.310 -0.328 0.000 0.501 3 T N 5.963 120.217 114.554 -0.500 0.000 2.699 3 T HA -0.365 3.737 4.350 -0.414 0.000 0.268 3 T C 1.762 176.010 174.700 -0.752 0.000 1.036 3 T CA 4.130 65.865 62.100 -0.609 0.000 1.147 3 T CB -0.038 68.393 68.868 -0.728 0.000 0.862 3 T HN -0.262 7.621 8.240 -0.544 0.031 0.446 4 F N -0.970 118.579 119.950 -0.669 0.000 2.604 4 F HA -0.047 3.551 4.527 -1.548 0.000 0.298 4 F C 0.858 176.372 175.800 -0.475 0.000 1.131 4 F CA 1.998 59.452 58.000 -0.910 0.000 1.457 4 F CB -0.790 37.719 39.000 -0.817 0.000 1.095 4 F HN -0.466 7.298 8.300 -0.877 0.009 0.574 5 S N -3.393 112.198 115.700 -0.182 0.000 2.575 5 S HA 0.040 4.465 4.470 -0.075 0.000 0.215 5 S C 0.048 174.613 174.600 -0.059 0.000 0.966 5 S CA 0.193 58.333 58.200 -0.100 0.000 0.911 5 S CB 0.239 63.379 63.200 -0.101 0.000 0.780 5 S HN -0.613 7.410 8.310 -0.230 0.150 0.514 6 A N 1.465 124.244 122.820 -0.069 0.000 2.531 6 A HA 0.093 4.410 4.320 -0.005 0.000 0.236 6 A C 1.105 178.726 177.584 0.061 0.000 1.062 6 A CA -0.065 51.972 52.037 0.001 0.000 0.760 6 A CB 0.894 19.892 19.000 -0.003 0.000 0.995 6 A HN -0.614 7.302 8.150 -0.138 0.151 0.501 7 S N 0.183 115.915 115.700 0.053 0.000 2.419 7 S HA -0.194 4.303 4.470 0.045 0.000 0.233 7 S C 0.291 174.938 174.600 0.078 0.000 1.016 7 S CA 1.939 60.171 58.200 0.053 0.000 0.974 7 S CB -0.058 63.161 63.200 0.032 0.000 0.786 7 S HN 0.442 8.777 8.310 0.042 0.000 0.492 8 D N -2.811 117.658 120.400 0.116 0.000 2.424 8 D HA -0.074 4.617 4.640 0.085 0.000 0.220 8 D C -0.951 175.474 176.300 0.208 0.000 1.150 8 D CA -1.643 52.435 54.000 0.130 0.000 0.831 8 D CB -0.774 40.092 40.800 0.110 0.000 0.981 8 D HN -0.233 8.191 8.370 0.129 0.024 0.500 9 F N 1.758 121.750 119.950 0.070 0.000 2.538 9 F HA -0.165 4.399 4.527 0.062 0.000 0.371 9 F C -0.428 175.435 175.800 0.104 0.000 1.087 9 F CA 1.114 59.128 58.000 0.023 0.000 1.250 9 F CB 1.086 40.020 39.000 -0.111 0.000 1.110 9 F HN -0.734 7.607 8.300 0.255 0.112 0.570 10 N N 8.432 126.638 118.700 -0.823 0.000 2.895 10 N HA -0.006 4.624 4.740 -0.184 0.000 0.277 10 N C 0.096 175.432 175.510 -0.290 0.000 1.185 10 N CA -0.633 52.178 53.050 -0.399 0.000 1.106 10 N CB -0.806 37.520 38.487 -0.268 0.000 1.422 10 N HN 0.508 8.167 8.380 -1.202 0.000 0.521 11 S N 3.879 119.586 115.700 0.012 0.000 2.423 11 S HA -0.225 4.473 4.470 0.381 0.000 0.231 11 S C 1.715 176.400 174.600 0.143 0.000 1.014 11 S CA 2.807 61.131 58.200 0.206 0.000 0.965 11 S CB -0.288 63.014 63.200 0.171 0.000 0.785 11 S HN 0.038 8.344 8.310 0.049 0.034 0.495 12 E N 4.332 124.568 120.200 0.061 0.000 2.077 12 E HA -0.303 4.079 4.350 0.053 0.000 0.193 12 E C 1.740 178.379 176.600 0.064 0.000 0.989 12 E CA 2.972 59.402 56.400 0.049 0.000 0.800 12 E CB -0.360 29.350 29.700 0.017 0.000 0.746 12 E HN -0.285 8.093 8.360 0.031 0.000 0.452 13 R N -0.859 119.665 120.500 0.040 0.000 2.092 13 R HA -0.259 4.092 4.340 0.018 0.000 0.231 13 R C 2.266 178.624 176.300 0.097 0.000 1.119 13 R CA 2.911 59.029 56.100 0.030 0.000 0.970 13 R CB -0.217 30.067 30.300 -0.027 0.000 0.864 13 R HN -0.353 8.246 8.270 0.008 -0.324 0.440 14 Y N -0.947 119.394 120.300 0.068 0.000 2.081 14 Y HA -0.497 4.175 4.550 0.203 0.000 0.280 14 Y C 1.311 177.272 175.900 0.101 0.000 1.163 14 Y CA 3.928 62.128 58.100 0.168 0.000 1.135 14 Y CB 0.000 38.648 38.460 0.313 0.000 0.970 14 Y HN -0.360 8.087 8.280 0.278 0.000 0.498 15 S N -2.130 113.757 115.700 0.312 0.000 2.368 15 S HA -0.307 4.299 4.470 0.227 0.000 0.225 15 S C 1.875 176.517 174.600 0.070 0.000 1.030 15 S CA 2.763 61.072 58.200 0.181 0.000 0.999 15 S CB -0.472 62.798 63.200 0.117 0.000 0.844 15 S HN -0.257 8.233 8.310 0.299 0.000 0.459 16 S N 0.192 115.920 115.700 0.048 0.000 2.436 16 S HA -0.027 4.452 4.470 0.014 0.000 0.228 16 S C 1.464 176.058 174.600 -0.010 0.000 1.014 16 S CA 2.107 60.316 58.200 0.015 0.000 0.950 16 S CB 0.264 63.472 63.200 0.014 0.000 0.784 16 S HN -0.162 8.185 8.310 0.061 0.000 0.504 17 S N -1.410 114.275 115.700 -0.025 0.000 2.632 17 S HA 0.128 4.580 4.470 -0.029 0.000 0.237 17 S C -0.237 174.322 174.600 -0.070 0.000 1.037 17 S CA -0.060 58.119 58.200 -0.035 0.000 1.009 17 S CB 1.309 64.497 63.200 -0.020 0.000 0.974 17 S HN -0.342 7.922 8.310 -0.020 0.033 0.544 18 R N 2.096 122.499 120.500 -0.161 0.000 2.500 18 R HA 0.349 4.574 4.340 -0.193 0.000 0.275 18 R C -1.990 174.091 176.300 -0.365 0.000 1.051 18 R CA -2.551 53.383 56.100 -0.277 0.000 1.088 18 R CB -0.285 29.696 30.300 -0.532 0.000 1.063 18 R HN -0.593 7.578 8.270 -0.164 0.000 0.511 19 P HA 0.062 4.167 4.420 -0.525 0.000 0.275 19 P C -1.507 175.332 177.300 -0.768 0.000 1.228 19 P CA -0.061 62.595 63.100 -0.740 0.000 0.786 19 P CB 0.790 31.709 31.700 -1.302 0.000 0.927 20 S N -0.309 114.979 115.700 -0.687 0.000 2.753 20 S HA 0.085 3.608 4.470 -1.577 0.000 0.302 20 S C -1.444 172.609 174.600 -0.911 0.000 1.104 20 S CA -0.912 56.714 58.200 -0.956 0.000 0.968 20 S CB 2.413 65.376 63.200 -0.396 0.000 1.278 20 S HN -0.021 7.991 8.310 -0.498 0.000 0.549 21 Y N -0.774 119.562 120.300 0.060 0.000 2.509 21 Y HA 0.404 4.852 4.550 -0.170 0.000 0.341 21 Y C -2.167 173.731 175.900 -0.003 0.000 1.038 21 Y CA -3.230 54.833 58.100 -0.063 0.000 1.089 21 Y CB 0.871 39.274 38.460 -0.095 0.000 1.241 21 Y HN -0.377 8.100 8.280 -0.138 -0.280 0.468 22 P HA 0.184 4.652 4.420 0.080 0.000 0.284 22 P C 0.185 177.558 177.300 0.123 0.000 1.258 22 P CA -1.038 62.091 63.100 0.050 0.000 0.824 22 P CB 2.164 33.854 31.700 -0.017 0.000 1.038 23 S N 2.587 118.394 115.700 0.179 0.000 2.383 23 S HA -0.369 4.327 4.470 0.376 0.000 0.229 23 S C 2.301 176.969 174.600 0.113 0.000 1.030 23 S CA 3.125 61.453 58.200 0.213 0.000 1.002 23 S CB -0.465 62.818 63.200 0.138 0.000 0.829 23 S HN 0.605 9.001 8.310 0.143 0.000 0.467 24 D N 0.911 121.335 120.400 0.041 0.000 2.144 24 D HA -0.160 4.481 4.640 0.001 0.000 0.199 24 D C 1.053 177.311 176.300 -0.070 0.000 0.984 24 D CA 1.493 55.486 54.000 -0.011 0.000 0.834 24 D CB -0.314 40.472 40.800 -0.023 0.000 0.955 24 D HN 0.481 nan 8.370 nan 0.000 0.465 25 F N -0.661 119.122 119.950 -0.278 0.000 2.146 25 F HA -0.272 3.975 4.527 -0.467 0.000 0.298 25 F C 0.447 175.961 175.800 -0.477 0.000 1.096 25 F CA 2.098 59.802 58.000 -0.493 0.000 1.275 25 F CB 1.147 39.721 39.000 -0.711 0.000 1.008 25 F HN -0.599 7.704 8.300 0.016 0.007 0.480 26 Y N -2.839 117.348 120.300 -0.188 0.000 2.224 26 Y HA -0.432 3.905 4.550 -0.356 0.000 0.289 26 Y C 0.823 176.591 175.900 -0.220 0.000 1.146 26 Y CA 2.518 60.486 58.100 -0.220 0.000 1.182 26 Y CB -0.611 37.842 38.460 -0.011 0.000 0.983 26 Y HN -0.756 7.445 8.280 -0.133 0.000 0.524 30 D N 1.735 122.129 120.400 -0.010 0.000 2.178 30 D HA -0.191 4.521 4.640 0.120 0.000 0.202 30 D C 0.889 177.228 176.300 0.066 0.000 0.974 30 D CA 2.468 56.507 54.000 0.064 0.000 0.841 30 D CB 0.403 41.226 40.800 0.038 0.000 0.953 30 D HN -0.109 8.231 8.370 -0.049 0.000 0.478 31 E N -2.832 117.382 120.200 0.024 0.000 2.150 31 E HA -0.308 4.050 4.350 0.013 0.000 0.193 31 E C 1.259 177.893 176.600 0.058 0.000 0.985 31 E CA 2.301 58.714 56.400 0.023 0.000 0.814 31 E CB 0.159 29.859 29.700 -0.001 0.000 0.752 31 E HN -0.474 7.879 8.360 -0.012 0.000 0.466 32 Y N -0.961 119.313 120.300 -0.044 0.000 2.184 32 Y HA -0.212 4.319 4.550 -0.031 0.000 0.290 32 Y C 0.734 176.648 175.900 0.023 0.000 1.129 32 Y CA 2.142 60.227 58.100 -0.025 0.000 1.144 32 Y CB 0.371 38.796 38.460 -0.058 0.000 0.995 32 Y HN -0.779 7.502 8.280 0.177 0.104 0.513 33 H N 0.848 119.964 119.070 0.077 0.000 2.928 33 H HA -0.046 4.529 4.556 0.031 0.000 0.338 33 H C -0.432 174.863 175.328 -0.055 0.000 1.047 33 H CA 1.516 57.585 56.048 0.034 0.000 1.435 33 H CB 0.480 30.312 29.762 0.117 0.000 1.428 33 H HN -0.664 7.825 8.280 0.347 0.000 0.590 34 D N 6.424 126.426 120.400 -0.664 0.000 2.350 34 D HA 0.256 4.705 4.640 -0.318 0.000 0.245 34 D C -0.302 175.642 176.300 -0.594 0.000 1.036 34 D CA -0.536 53.175 54.000 -0.482 0.000 0.848 34 D CB 3.177 43.797 40.800 -0.300 0.000 1.307 34 D HN 0.102 8.032 8.370 -0.734 0.000 0.469 35 G N 2.047 110.674 108.800 -0.287 0.000 2.512 35 G HA2 -0.343 3.555 3.960 -0.104 0.000 0.210 35 G HA3 -0.343 3.524 3.960 -0.154 0.000 0.210 35 G C -1.722 173.157 174.900 -0.036 0.000 1.295 35 G CA -0.588 44.422 45.100 -0.150 0.000 0.934 35 G HN 0.131 8.298 8.290 -0.205 0.000 0.554 36 E N 1.912 122.121 120.200 0.015 0.000 2.425 36 E HA -0.116 4.236 4.350 0.004 0.000 0.258 36 E C -0.091 176.579 176.600 0.117 0.000 1.151 36 E CA 0.795 57.222 56.400 0.045 0.000 0.958 36 E CB 0.744 30.467 29.700 0.038 0.000 0.968 36 E HN 0.205 8.566 8.360 0.002 0.000 0.451 37 R N -0.048 120.444 120.500 -0.014 0.000 2.772 37 R HA 0.272 4.509 4.340 -0.170 0.000 0.358 37 R C -0.141 176.196 176.300 0.060 0.000 1.143 37 R CA -0.380 55.581 56.100 -0.232 0.000 1.153 37 R CB -0.727 29.145 30.300 -0.714 0.000 1.329 37 R HN 0.521 8.775 8.270 -0.027 0.000 0.615 38 K N 0.091 120.596 120.400 0.176 0.000 2.116 38 K HA -0.132 4.268 4.320 0.134 0.000 0.203 38 K C -0.674 176.076 176.600 0.250 0.000 1.052 38 K CA 2.993 59.383 56.287 0.172 0.000 0.952 38 K CB 1.085 33.648 32.500 0.104 0.000 0.729 38 K HN -0.096 8.450 8.250 0.165 -0.198 0.446 39 L N -2.473 118.936 121.223 0.309 0.000 2.505 39 L HA 0.593 5.219 4.340 0.118 -0.215 0.266 39 L C -2.688 174.182 176.870 -0.000 0.000 0.954 39 L CA -0.632 54.297 54.840 0.150 0.000 0.852 39 L CB 3.967 46.084 42.059 0.097 0.000 1.282 39 L HN -0.511 8.184 8.230 0.356 -0.251 0.403 40 L N 6.060 127.081 121.223 -0.337 0.000 2.313 40 L HA 0.525 4.605 4.340 -0.433 0.000 0.283 40 L C -2.419 174.321 176.870 -0.217 0.000 1.013 40 L CA -1.479 53.029 54.840 -0.552 0.000 0.816 40 L CB 3.671 44.975 42.059 -1.258 0.000 1.236 40 L HN 0.044 8.088 8.230 -0.310 0.000 0.419 41 V N 6.562 126.441 119.914 -0.057 0.000 2.409 41 V HA 0.534 4.892 4.120 0.030 -0.220 0.291 41 V C -1.725 174.424 176.094 0.092 0.000 1.020 41 V CA -1.424 60.927 62.300 0.084 0.000 0.848 41 V CB 2.706 34.719 31.823 0.316 0.000 0.990 41 V HN 0.115 8.281 8.190 -0.040 0.000 0.430 42 D N 7.556 127.981 120.400 0.042 0.000 2.427 42 D HA 0.465 5.305 4.640 0.055 -0.167 0.226 42 D C -0.396 175.942 176.300 0.063 0.000 1.076 42 D CA -1.761 52.263 54.000 0.040 0.000 0.849 42 D CB 1.399 42.199 40.800 0.001 0.000 1.052 42 D HN 0.265 8.633 8.370 -0.004 0.000 0.515 43 V N 1.060 121.041 119.914 0.112 0.000 2.904 43 V HA 0.535 4.809 4.120 0.064 -0.115 0.305 43 V C 0.976 177.106 176.094 0.061 0.000 1.067 43 V CA -1.857 60.501 62.300 0.096 0.000 1.044 43 V CB 1.230 33.142 31.823 0.148 0.000 1.050 43 V HN -0.088 8.191 8.190 0.147 0.000 0.475 44 G N 0.410 109.243 108.800 0.055 0.000 2.356 44 G HA2 -0.476 3.592 3.960 0.012 0.000 0.296 44 G HA3 -0.476 3.538 3.960 0.091 0.000 0.296 44 G C -0.001 174.868 174.900 -0.052 0.000 1.022 44 G CA 1.117 46.236 45.100 0.033 0.000 0.961 44 G HN 0.589 8.895 8.290 0.027 0.000 0.510 45 C N -4.340 114.938 119.300 -0.036 0.000 2.456 45 C HA -0.155 4.292 4.460 -0.021 0.000 0.279 45 C C 0.945 175.886 174.990 -0.081 0.000 1.427 45 C CA -1.826 57.181 59.018 -0.018 0.000 1.778 45 C CB -1.512 26.283 27.740 0.091 0.000 1.842 45 C HN -0.374 7.844 8.230 -0.019 0.000 0.531 46 G N 1.356 110.046 108.800 -0.183 0.000 2.566 46 G HA2 -0.324 3.403 3.960 -0.389 0.000 0.280 46 G HA3 -0.324 3.403 3.960 -0.389 0.000 0.280 46 G C -2.589 172.156 174.900 -0.258 0.000 1.225 46 G CA 0.442 45.352 45.100 -0.318 0.000 0.966 46 G HN 0.086 8.581 8.290 -0.182 -0.314 0.560 47 P HA -0.034 4.201 4.420 -0.309 0.000 0.243 47 P C -0.320 176.857 177.300 -0.204 0.000 1.668 47 P CA -0.482 62.483 63.100 -0.224 0.000 0.898 47 P CB -0.981 30.660 31.700 -0.098 0.000 1.637 48 G N -0.243 108.465 108.800 -0.153 0.000 2.160 48 G HA2 -0.447 3.633 3.960 0.199 0.000 0.244 48 G HA3 -0.447 3.495 3.960 -0.030 0.000 0.244 48 G C 0.557 175.505 174.900 0.080 0.000 1.022 48 G CA 0.571 45.687 45.100 0.025 0.000 0.741 48 G HN -0.593 7.515 8.290 -0.133 0.102 0.508 49 T N 2.688 117.304 114.554 0.103 0.000 2.580 49 T HA -0.469 3.956 4.350 0.126 0.000 0.265 49 T C 1.125 175.970 174.700 0.242 0.000 1.063 49 T CA 5.014 67.214 62.100 0.166 0.000 1.170 49 T CB -0.142 68.871 68.868 0.242 0.000 0.863 49 T HN -0.603 7.687 8.240 0.083 0.000 0.418 50 A N -1.635 121.374 122.820 0.315 0.000 1.975 50 A HA 0.149 4.826 4.320 0.595 0.000 0.215 50 A C 0.712 178.443 177.584 0.246 0.000 1.170 50 A CA 1.544 53.835 52.037 0.423 0.000 0.656 50 A CB -0.339 18.882 19.000 0.369 0.000 0.821 50 A HN 0.298 8.604 8.150 0.260 0.000 0.449 51 T N 0.223 114.873 114.554 0.160 0.000 2.652 51 T HA -0.394 3.988 4.350 0.055 0.000 0.267 51 T C 1.589 176.322 174.700 0.055 0.000 1.039 51 T CA 3.697 65.852 62.100 0.092 0.000 1.153 51 T CB -0.110 68.842 68.868 0.140 0.000 0.863 51 T HN -0.496 7.884 8.240 0.162 -0.042 0.428 52 L N -1.703 119.552 121.223 0.054 0.000 2.156 52 L HA -0.241 4.044 4.340 -0.091 0.000 0.208 52 L C 0.488 177.442 176.870 0.139 0.000 1.095 52 L CA 1.532 56.352 54.840 -0.034 0.000 0.770 52 L CB -0.180 41.718 42.059 -0.268 0.000 0.914 52 L HN -0.515 7.764 8.230 0.082 0.000 0.439 56 Q N -0.990 118.834 119.800 0.040 0.000 2.394 56 Q HA -0.005 4.339 4.340 0.007 0.000 0.218 56 Q C 1.128 177.111 176.000 -0.028 0.000 0.907 56 Q CA 1.106 56.913 55.803 0.007 0.000 0.919 56 Q CB 1.302 30.052 28.738 0.021 0.000 1.051 56 Q HN -0.185 8.001 8.270 0.038 0.107 0.538 57 E N -2.089 118.048 120.200 -0.105 0.000 2.340 57 E HA 0.029 4.352 4.350 -0.044 0.000 0.194 57 E C -0.320 176.236 176.600 -0.073 0.000 0.996 57 E CA 0.306 56.629 56.400 -0.128 0.000 0.869 57 E CB 1.248 30.738 29.700 -0.349 0.000 0.835 57 E HN -0.265 8.000 8.360 -0.159 0.000 0.493 58 L N -2.246 118.941 121.223 -0.059 0.000 2.352 58 L HA 0.140 4.604 4.340 0.037 -0.102 0.269 58 L C 0.278 177.166 176.870 0.030 0.000 1.034 58 L CA -1.297 53.563 54.840 0.032 0.000 0.806 58 L CB 1.569 43.706 42.059 0.130 0.000 1.244 58 L HN -0.690 7.493 8.230 -0.078 0.000 0.447 59 K N 0.854 121.254 120.400 0.000 0.000 2.494 59 K HA -0.065 4.237 4.320 -0.030 0.000 0.273 59 K C -1.438 175.122 176.600 -0.066 0.000 0.970 59 K CA -0.251 56.007 56.287 -0.047 0.000 0.963 59 K CB -1.001 31.448 32.500 -0.084 0.000 0.913 59 K HN 0.210 8.820 8.250 -0.000 -0.361 0.502 60 P HA -0.075 4.378 4.420 0.054 0.000 0.266 60 P C -1.093 176.127 177.300 -0.135 0.000 1.195 60 P CA 0.469 63.556 63.100 -0.023 0.000 0.768 60 P CB 0.348 32.035 31.700 -0.022 0.000 0.838 61 F N 0.743 120.688 119.950 -0.007 0.000 2.470 61 F HA 0.459 5.172 4.527 -0.000 -0.186 0.329 61 F C 0.661 176.462 175.800 0.001 0.000 1.072 61 F CA -1.314 56.683 58.000 -0.005 0.000 0.989 61 F CB 2.911 41.904 39.000 -0.013 0.000 1.193 61 F HN -0.250 8.226 8.300 0.294 0.000 0.481 62 E N 1.793 122.104 120.200 0.184 0.000 2.072 62 E HA -0.301 4.098 4.350 0.081 0.000 0.191 62 E C 0.051 176.717 176.600 0.110 0.000 0.985 62 E CA 2.290 58.757 56.400 0.111 0.000 0.801 62 E CB 0.898 30.647 29.700 0.083 0.000 0.750 62 E HN 0.252 8.724 8.360 0.186 0.000 0.452 63 Q N -5.516 114.363 119.800 0.132 0.000 2.345 63 Q HA 0.403 4.914 4.340 0.043 -0.145 0.275 63 Q C -1.456 174.551 176.000 0.010 0.000 1.063 63 Q CA -1.917 53.922 55.803 0.059 0.000 0.819 63 Q CB 4.018 32.780 28.738 0.040 0.000 1.356 63 Q HN -0.706 7.672 8.270 0.179 0.000 0.418 64 I N 1.762 122.293 120.570 -0.066 0.000 2.465 64 I HA 0.654 4.893 4.170 -0.209 -0.195 0.291 64 I C -1.544 174.437 176.117 -0.226 0.000 1.014 64 I CA -1.082 60.116 61.300 -0.170 0.000 1.093 64 I CB 3.213 41.114 38.000 -0.164 0.000 1.267 64 I HN 0.647 8.820 8.210 -0.062 0.000 0.431 65 I N 5.108 125.544 120.570 -0.224 0.000 2.436 65 I HA 0.796 5.156 4.170 -0.431 -0.449 0.289 65 I C -0.996 174.940 176.117 -0.302 0.000 1.010 65 I CA -2.055 59.060 61.300 -0.308 0.000 1.098 65 I CB 3.734 41.607 38.000 -0.212 0.000 1.266 65 I HN 0.632 8.736 8.210 -0.177 0.000 0.434 66 G N 4.966 113.496 108.800 -0.450 0.000 2.343 66 G HA2 0.522 4.632 3.960 -0.081 0.000 0.319 66 G HA3 0.522 4.478 3.960 -0.007 0.000 0.319 66 G C -2.261 172.584 174.900 -0.092 0.000 1.126 66 G CA -1.521 43.490 45.100 -0.148 0.000 0.889 66 G HN 0.278 8.119 8.290 -0.748 0.000 0.457 67 S N 2.711 118.364 115.700 -0.078 0.000 2.566 67 S HA 1.076 5.695 4.470 -0.147 -0.238 0.298 67 S C -1.623 172.947 174.600 -0.051 0.000 1.083 67 S CA -1.974 56.153 58.200 -0.121 0.000 0.978 67 S CB 3.758 66.848 63.200 -0.183 0.000 1.073 67 S HN 0.284 8.572 8.310 -0.037 0.000 0.491 68 D N 0.502 120.863 120.400 -0.066 0.000 2.663 68 D HA 0.260 4.862 4.640 -0.065 0.000 0.233 68 D C 0.432 176.686 176.300 -0.077 0.000 1.240 68 D CA -0.618 53.339 54.000 -0.071 0.000 0.774 68 D CB 4.052 44.798 40.800 -0.090 0.000 1.443 68 D HN -0.230 8.093 8.370 -0.077 0.000 0.441 69 L N 0.641 121.816 121.223 -0.080 0.000 2.201 69 L HA -0.196 4.103 4.340 -0.069 0.000 0.212 69 L C -0.133 176.692 176.870 -0.075 0.000 1.105 69 L CA 1.276 56.071 54.840 -0.076 0.000 0.775 69 L CB 0.355 42.367 42.059 -0.079 0.000 0.913 69 L HN 0.300 8.483 8.230 -0.079 0.000 0.440 70 S N -1.804 113.842 115.700 -0.090 0.000 2.411 70 S HA 0.159 4.585 4.470 -0.074 0.000 0.294 70 S C 0.494 175.050 174.600 -0.073 0.000 1.115 70 S CA -1.430 56.719 58.200 -0.085 0.000 1.071 70 S CB 0.240 63.376 63.200 -0.108 0.000 0.967 70 S HN -0.260 8.314 8.310 -0.102 -0.325 0.488 71 A N 9.001 131.790 122.820 -0.053 0.000 1.940 71 A HA -0.265 4.025 4.320 -0.051 0.000 0.219 71 A C 0.873 178.431 177.584 -0.043 0.000 1.176 71 A CA 2.039 54.049 52.037 -0.045 0.000 0.631 71 A CB -0.213 18.770 19.000 -0.030 0.000 0.814 71 A HN 0.742 8.864 8.150 -0.047 0.000 0.446 75 K N 2.738 123.056 120.400 -0.137 0.000 2.057 75 K HA -0.176 4.087 4.320 -0.096 0.000 0.207 75 K C 1.462 177.985 176.600 -0.130 0.000 1.049 75 K CA 2.333 58.557 56.287 -0.105 0.000 0.931 75 K CB 0.119 32.586 32.500 -0.055 0.000 0.714 75 K HN -0.031 8.156 8.250 -0.106 0.000 0.440 76 T N 0.549 115.025 114.554 -0.130 0.000 2.746 76 T HA -0.409 3.890 4.350 -0.086 0.000 0.267 76 T C 1.045 175.617 174.700 -0.214 0.000 1.039 76 T CA 4.833 66.859 62.100 -0.123 0.000 1.142 76 T CB -0.386 68.439 68.868 -0.071 0.000 0.866 76 T HN -0.660 7.512 8.240 -0.115 0.000 0.444 77 A N 1.073 123.659 122.820 -0.390 0.000 1.908 77 A HA -0.279 3.844 4.320 -0.531 -0.122 0.218 77 A C 2.074 179.329 177.584 -0.549 0.000 1.181 77 A CA 2.851 54.471 52.037 -0.695 0.000 0.627 77 A CB -0.892 17.208 19.000 -1.499 0.000 0.818 77 A HN 0.102 8.014 8.150 -0.396 0.000 0.445 78 E N -2.200 117.764 120.200 -0.392 0.000 2.106 78 E HA -0.296 4.030 4.350 -0.040 0.000 0.192 78 E C 1.960 178.525 176.600 -0.058 0.000 0.984 78 E CA 2.479 58.804 56.400 -0.124 0.000 0.806 78 E CB -0.142 29.527 29.700 -0.053 0.000 0.750 78 E HN -0.457 7.669 8.360 -0.390 0.000 0.458 79 V N -1.323 118.545 119.914 -0.076 0.000 2.287 79 V HA -0.435 3.679 4.120 -0.011 0.000 0.248 79 V C 1.858 177.945 176.094 -0.010 0.000 1.053 79 V CA 3.805 66.086 62.300 -0.031 0.000 1.027 79 V CB 0.178 31.982 31.823 -0.032 0.000 0.646 79 V HN -0.451 7.676 8.190 -0.106 0.000 0.447 80 I N -1.680 118.863 120.570 -0.044 0.000 2.252 80 I HA -0.592 3.598 4.170 0.032 0.000 0.245 80 I C 1.466 177.615 176.117 0.053 0.000 1.102 80 I CA 3.853 65.150 61.300 -0.005 0.000 1.385 80 I CB -0.422 37.542 38.000 -0.060 0.000 1.064 80 I HN -0.469 7.686 8.210 -0.091 0.000 0.414 81 K N 0.921 121.328 120.400 0.011 0.000 2.044 81 K HA -0.446 3.968 4.320 0.155 0.000 0.210 81 K C 3.093 179.814 176.600 0.202 0.000 1.049 81 K CA 3.243 59.609 56.287 0.132 0.000 0.927 81 K CB -0.576 32.023 32.500 0.166 0.000 0.713 81 K HN -0.321 7.901 8.250 -0.046 0.000 0.443 82 E N -0.664 119.605 120.200 0.116 0.000 2.268 82 E HA -0.130 4.220 4.350 0.001 0.000 0.195 82 E C 1.879 178.534 176.600 0.093 0.000 0.995 82 E CA 1.109 57.565 56.400 0.094 0.000 0.836 82 E CB -0.379 29.355 29.700 0.058 0.000 0.763 82 E HN 0.404 nan 8.360 nan 0.000 0.491 83 G N -0.944 107.917 108.800 0.102 0.000 2.471 83 G HA2 -0.148 3.852 3.960 0.066 0.000 0.219 83 G HA3 -0.148 3.866 3.960 0.090 0.000 0.219 83 G C -0.320 174.640 174.900 0.099 0.000 1.125 83 G CA 0.299 45.453 45.100 0.090 0.000 0.775 83 G HN -0.229 7.995 8.290 0.105 0.129 0.548 84 S N -0.098 115.695 115.700 0.154 0.000 2.235 84 S HA 0.481 4.970 4.470 0.031 0.000 0.152 84 S C -2.191 172.452 174.600 0.071 0.000 1.649 84 S CA -1.696 56.550 58.200 0.077 0.000 1.277 84 S CB 0.003 63.209 63.200 0.010 0.000 1.299 84 S HN -0.609 7.808 8.310 0.224 0.028 0.388 85 P HA 0.134 4.752 4.420 0.148 -0.110 0.219 85 P C 0.356 177.683 177.300 0.044 0.000 1.150 85 P CA 1.737 64.890 63.100 0.089 0.000 0.814 85 P CB 0.469 32.208 31.700 0.065 0.000 0.787 86 D N -3.234 117.159 120.400 -0.011 0.000 2.123 86 D HA -0.206 4.429 4.640 -0.008 0.000 0.200 86 D C 2.483 178.732 176.300 -0.085 0.000 0.976 86 D CA 3.276 57.257 54.000 -0.032 0.000 0.831 86 D CB -0.472 40.308 40.800 -0.034 0.000 0.974 86 D HN 0.117 8.477 8.370 -0.018 0.000 0.469 87 T N 1.754 116.184 114.554 -0.208 0.000 2.803 87 T HA -0.259 3.926 4.350 -0.275 0.000 0.269 87 T C 1.075 175.556 174.700 -0.365 0.000 1.052 87 T CA 3.174 65.029 62.100 -0.408 0.000 1.136 87 T CB 0.093 68.509 68.868 -0.754 0.000 0.864 87 T HN -0.463 7.649 8.240 -0.213 0.000 0.467 88 Y N -3.644 116.674 120.300 0.029 0.000 2.734 88 Y HA 0.348 4.912 4.550 0.024 0.000 0.278 88 Y C 0.147 176.058 175.900 0.019 0.000 1.108 88 Y CA -2.513 55.605 58.100 0.031 0.000 1.211 88 Y CB -1.423 37.073 38.460 0.061 0.000 1.182 88 Y HN -0.695 7.426 8.280 -0.033 0.139 0.547 89 K N 0.652 121.121 120.400 0.115 0.000 2.283 89 K HA -0.213 4.156 4.320 0.082 0.000 0.202 89 K C 0.010 176.645 176.600 0.059 0.000 1.048 89 K CA 2.544 58.876 56.287 0.075 0.000 0.948 89 K CB -0.416 32.109 32.500 0.041 0.000 0.742 89 K HN -0.717 7.575 8.250 0.071 0.000 0.458 90 N N -2.199 116.537 118.700 0.061 0.000 2.235 90 N HA -0.000 4.845 4.740 0.025 -0.091 0.209 90 N C -1.866 173.640 175.510 -0.007 0.000 1.122 90 N CA -0.771 52.299 53.050 0.034 0.000 0.845 90 N CB 0.112 38.630 38.487 0.051 0.000 1.004 90 N HN -0.090 8.308 8.380 0.079 0.029 0.499 91 V N 0.854 120.755 119.914 -0.022 0.000 2.435 91 V HA 0.601 4.806 4.120 -0.222 -0.218 0.290 91 V C -0.985 174.952 176.094 -0.261 0.000 1.030 91 V CA -0.673 61.523 62.300 -0.175 0.000 0.881 91 V CB 1.448 33.179 31.823 -0.154 0.000 0.983 91 V HN -0.620 7.525 8.190 0.031 0.063 0.445 92 S N 4.983 120.414 115.700 -0.448 0.000 2.627 92 S HA 0.437 4.738 4.470 -0.282 0.000 0.283 92 S C -2.118 172.023 174.600 -0.765 0.000 1.127 92 S CA -1.770 56.182 58.200 -0.414 0.000 0.863 92 S CB 3.299 66.385 63.200 -0.190 0.000 1.121 92 S HN 0.133 8.158 8.310 -0.475 0.000 0.479 93 F N -1.269 118.599 119.950 -0.137 0.000 2.551 93 F HA 0.998 5.633 4.527 -0.205 -0.232 0.316 93 F C 0.163 175.837 175.800 -0.210 0.000 1.089 93 F CA -1.671 56.223 58.000 -0.176 0.000 0.915 93 F CB 3.999 42.917 39.000 -0.135 0.000 1.186 93 F HN 0.073 8.354 8.300 -0.033 0.000 0.456 94 K N 0.844 121.174 120.400 -0.117 0.000 2.464 94 K HA 0.429 4.669 4.320 -0.134 0.000 0.253 94 K C -1.852 174.667 176.600 -0.135 0.000 0.933 94 K CA -1.831 54.327 56.287 -0.216 0.000 0.801 94 K CB 3.895 36.044 32.500 -0.586 0.000 1.271 94 K HN 0.701 8.889 8.250 -0.102 0.000 0.430 95 I N 2.462 122.987 120.570 -0.075 0.000 2.337 95 I HA 0.514 4.879 4.170 -0.060 -0.231 0.291 95 I C -0.079 176.019 176.117 -0.031 0.000 1.046 95 I CA -0.591 60.678 61.300 -0.052 0.000 1.324 95 I CB -1.323 36.657 38.000 -0.033 0.000 1.409 95 I HN 0.189 8.365 8.210 -0.057 0.000 0.494 96 S N 7.387 123.064 115.700 -0.039 0.000 2.558 96 S HA 0.153 4.619 4.470 -0.007 0.000 0.277 96 S C -2.278 172.278 174.600 -0.074 0.000 1.143 96 S CA -0.373 57.820 58.200 -0.012 0.000 0.865 96 S CB 2.382 65.659 63.200 0.129 0.000 1.102 96 S HN -0.159 8.005 8.310 -0.059 0.110 0.454 97 S N 1.489 117.126 115.700 -0.105 0.000 2.576 97 S HA 0.217 4.593 4.470 -0.156 0.000 0.272 97 S C 1.893 176.336 174.600 -0.262 0.000 1.352 97 S CA -0.194 57.907 58.200 -0.165 0.000 1.021 97 S CB 0.588 63.700 63.200 -0.146 0.000 0.887 97 S HN 0.323 8.581 8.310 -0.088 0.000 0.542 98 S N 1.484 116.964 115.700 -0.366 0.000 2.507 98 S HA -0.109 4.179 4.470 -0.304 0.000 0.235 98 S C 0.369 174.840 174.600 -0.215 0.000 0.988 98 S CA 1.737 59.690 58.200 -0.412 0.000 0.944 98 S CB -0.118 62.464 63.200 -1.029 0.000 0.762 98 S HN 0.450 8.506 8.310 -0.422 0.000 0.526 99 D N -3.191 117.087 120.400 -0.204 0.000 2.395 99 D HA 0.103 4.847 4.640 0.174 0.000 0.213 99 D C -0.847 175.368 176.300 -0.140 0.000 1.110 99 D CA -1.082 52.903 54.000 -0.024 0.000 0.835 99 D CB 0.812 41.635 40.800 0.038 0.000 0.965 99 D HN -0.686 7.497 8.370 -0.241 0.042 0.505 100 D N 0.266 120.432 120.400 -0.390 0.000 2.441 100 D HA 0.145 4.692 4.640 -0.156 0.000 0.231 100 D C -1.309 174.628 176.300 -0.605 0.000 1.073 100 D CA -0.801 53.015 54.000 -0.307 0.000 0.850 100 D CB 0.436 41.136 40.800 -0.167 0.000 1.062 100 D HN -0.579 7.400 8.370 -0.475 0.106 0.524 101 F N 5.401 125.192 119.950 -0.265 0.000 2.772 101 F HA 0.129 3.995 4.527 -1.102 0.000 0.302 101 F C 1.793 177.194 175.800 -0.664 0.000 1.136 101 F CA -0.551 57.050 58.000 -0.665 0.000 1.322 101 F CB -0.378 38.350 39.000 -0.454 0.000 0.967 101 F HN 0.285 8.564 8.300 -0.035 0.000 0.513 102 K N 2.446 122.671 120.400 -0.293 0.000 2.209 102 K HA -0.221 4.100 4.320 0.001 0.000 0.204 102 K C 1.700 178.223 176.600 -0.128 0.000 1.048 102 K CA 1.954 58.154 56.287 -0.145 0.000 0.940 102 K CB -0.437 32.034 32.500 -0.047 0.000 0.729 102 K HN 0.202 nan 8.250 nan 0.000 0.451 103 F N -2.892 117.075 119.950 0.029 0.000 2.494 103 F HA -0.180 4.356 4.527 0.016 0.000 0.298 103 F C 0.580 176.407 175.800 0.044 0.000 1.106 103 F CA 0.347 58.362 58.000 0.025 0.000 1.452 103 F CB -0.613 38.392 39.000 0.008 0.000 1.085 103 F HN -0.351 7.729 8.300 -0.336 0.018 0.569 104 L N -3.104 118.014 121.223 -0.176 0.000 2.362 104 L HA -0.142 4.266 4.340 0.113 0.000 0.219 104 L C 0.770 177.650 176.870 0.016 0.000 1.134 104 L CA 0.564 55.395 54.840 -0.015 0.000 0.807 104 L CB -0.149 41.848 42.059 -0.103 0.000 0.927 104 L HN -0.476 7.420 8.230 -0.494 0.038 0.447 105 G N -3.898 104.904 108.800 0.004 0.000 2.587 105 G HA2 -0.176 3.797 3.960 0.022 0.000 0.686 105 G HA3 -0.176 3.794 3.960 0.018 0.000 0.686 105 G C -0.552 174.343 174.900 -0.008 0.000 1.236 105 G CA -0.949 44.158 45.100 0.012 0.000 0.820 105 G HN -0.691 7.544 8.290 -0.012 0.049 0.645 106 A N 1.000 123.819 122.820 -0.001 0.000 1.972 106 A HA -0.199 4.116 4.320 -0.009 0.000 0.219 106 A C 0.024 177.602 177.584 -0.010 0.000 1.169 106 A CA 2.752 54.785 52.037 -0.006 0.000 0.635 106 A CB -0.356 18.644 19.000 -0.000 0.000 0.810 106 A HN 0.399 8.553 8.150 0.006 0.000 0.446 107 D N -4.965 115.430 120.400 -0.008 0.000 2.340 107 D HA -0.059 4.574 4.640 -0.012 0.000 0.220 107 D C 0.140 176.428 176.300 -0.019 0.000 1.039 107 D CA 0.599 54.592 54.000 -0.011 0.000 0.866 107 D CB -0.175 40.621 40.800 -0.006 0.000 0.913 107 D HN -0.364 7.990 8.370 -0.004 0.014 0.523 108 S N -0.827 114.858 115.700 -0.025 0.000 2.575 108 S HA 0.096 4.543 4.470 -0.038 0.000 0.230 108 S C -0.544 174.020 174.600 -0.061 0.000 1.062 108 S CA 0.669 58.847 58.200 -0.038 0.000 0.913 108 S CB 2.003 65.186 63.200 -0.028 0.000 0.837 108 S HN -0.339 7.789 8.310 -0.023 0.167 0.487 109 V N 3.772 123.652 119.914 -0.057 0.000 2.617 109 V HA -0.473 3.604 4.120 -0.073 0.000 0.304 109 V C -0.768 175.294 176.094 -0.053 0.000 1.040 109 V CA 2.527 64.791 62.300 -0.059 0.000 1.149 109 V CB 0.196 31.989 31.823 -0.049 0.000 0.914 109 V HN -0.440 7.721 8.190 -0.048 0.000 0.487 110 D N 3.638 123.998 120.400 -0.067 0.000 2.945 110 D HA -0.280 4.485 4.640 -0.085 -0.176 0.225 110 D C -0.966 175.287 176.300 -0.077 0.000 1.158 110 D CA 2.095 56.057 54.000 -0.064 0.000 0.805 110 D CB -1.751 39.037 40.800 -0.020 0.000 1.098 110 D HN 0.151 8.810 8.370 -0.085 -0.340 0.426 111 K N -2.764 117.578 120.400 -0.097 0.000 2.646 111 K HA 0.135 4.406 4.320 -0.081 0.000 0.206 111 K C -0.251 176.280 176.600 -0.115 0.000 1.069 111 K CA -1.567 54.667 56.287 -0.089 0.000 1.067 111 K CB 0.450 32.913 32.500 -0.062 0.000 0.807 111 K HN -0.579 7.579 8.250 -0.109 0.027 0.482 112 Q N -1.832 117.870 119.800 -0.163 0.000 2.460 112 Q HA -0.341 3.907 4.340 -0.233 -0.048 0.311 112 Q C 0.704 176.622 176.000 -0.137 0.000 1.396 112 Q CA 0.828 56.516 55.803 -0.191 0.000 0.838 112 Q CB -1.685 26.923 28.738 -0.217 0.000 1.140 112 Q HN -0.123 8.039 8.270 -0.180 0.000 0.415 113 K N -2.226 118.096 120.400 -0.129 0.000 2.350 113 K HA 0.148 4.469 4.320 0.001 0.000 0.196 113 K C 0.569 177.140 176.600 -0.047 0.000 1.084 113 K CA -0.596 55.645 56.287 -0.075 0.000 0.967 113 K CB 0.580 33.044 32.500 -0.060 0.000 0.950 113 K HN -0.055 nan 8.250 nan 0.000 0.512 114 I N 1.701 122.223 120.570 -0.079 0.000 2.696 114 I HA -0.194 3.983 4.170 0.011 0.000 0.284 114 I C -0.629 175.513 176.117 0.042 0.000 1.129 114 I CA 0.857 62.142 61.300 -0.025 0.000 1.410 114 I CB 0.598 38.545 38.000 -0.089 0.000 1.399 114 I HN -0.276 7.850 8.210 -0.139 0.000 0.579 118 T N 2.128 116.782 114.554 0.167 0.000 2.912 118 T HA 0.926 5.622 4.350 0.191 -0.231 0.288 118 T C -1.505 173.239 174.700 0.074 0.000 1.030 118 T CA -2.510 59.670 62.100 0.134 0.000 1.020 118 T CB 2.766 71.695 68.868 0.101 0.000 1.056 118 T HN 0.300 8.625 8.240 0.141 0.000 0.480 119 A N 2.494 125.291 122.820 -0.039 0.000 2.569 119 A HA 0.666 4.926 4.320 -0.100 0.000 0.282 119 A C -2.370 174.979 177.584 -0.391 0.000 1.165 119 A CA -0.704 51.260 52.037 -0.121 0.000 0.747 119 A CB 2.384 21.373 19.000 -0.018 0.000 1.215 119 A HN 0.254 8.373 8.150 -0.053 0.000 0.431 120 V N 4.900 124.490 119.914 -0.541 0.000 2.409 120 V HA 0.388 4.038 4.120 -1.090 -0.184 0.291 120 V C -0.221 175.594 176.094 -0.465 0.000 1.020 120 V CA -1.467 60.312 62.300 -0.868 0.000 0.848 120 V CB 1.638 32.721 31.823 -1.233 0.000 0.990 120 V HN 0.128 8.077 8.190 -0.402 0.000 0.430 121 E N 4.597 124.555 120.200 -0.403 0.000 2.360 121 E HA -0.428 3.779 4.350 -0.237 0.000 0.238 121 E C -1.180 175.385 176.600 -0.058 0.000 1.186 121 E CA 1.631 57.902 56.400 -0.214 0.000 0.719 121 E CB -1.043 28.544 29.700 -0.188 0.000 1.236 121 E HN 0.178 8.246 8.360 -0.487 0.000 0.386 122 C N -8.637 110.539 119.300 -0.206 0.000 4.498 122 C HA 0.297 4.577 4.460 -0.301 0.000 0.505 122 C C 0.724 175.082 174.990 -1.052 0.000 1.553 122 C CA -0.419 58.346 59.018 -0.422 0.000 2.306 122 C CB -0.881 26.711 27.740 -0.247 0.000 3.422 122 C HN 0.176 8.248 8.230 -0.251 0.007 0.612 123 A N 2.868 125.173 122.820 -0.858 0.000 2.119 123 A HA -0.236 2.622 4.320 -2.437 0.000 0.217 123 A C 0.649 177.884 177.584 -0.582 0.000 1.153 123 A CA 2.977 54.356 52.037 -1.098 0.000 0.692 123 A CB -0.711 18.123 19.000 -0.277 0.000 0.799 123 A HN 0.500 8.379 8.150 -0.452 0.000 0.458 124 H N -4.431 114.330 119.070 -0.515 0.000 2.491 124 H HA -0.177 4.199 4.556 -0.299 0.000 0.290 124 H C 1.498 176.608 175.328 -0.362 0.000 1.050 124 H CA 1.888 57.662 56.048 -0.456 0.000 1.309 124 H CB -1.274 28.124 29.762 -0.607 0.000 1.392 124 H HN 0.312 8.450 8.280 -0.197 0.024 0.554 125 W N -2.409 118.481 121.300 -0.683 0.000 2.905 125 W HA -0.113 4.444 4.660 -0.172 0.000 0.251 125 W C -0.356 176.194 176.519 0.051 0.000 1.305 125 W CA -0.474 56.700 57.345 -0.286 0.000 1.465 125 W CB 0.267 29.555 29.460 -0.286 0.000 1.122 125 W HN -0.600 6.737 8.180 -1.176 0.136 0.659 126 F N -2.876 117.126 119.950 0.087 0.000 2.380 126 F HA 0.036 4.608 4.527 0.075 0.000 0.321 126 F C 0.465 176.351 175.800 0.143 0.000 1.103 126 F CA -2.716 55.333 58.000 0.080 0.000 1.067 126 F CB 0.727 39.720 39.000 -0.012 0.000 1.265 126 F HN -0.774 7.348 8.300 -0.028 0.162 0.517 127 D N 1.603 122.211 120.400 0.348 0.000 2.359 127 D HA -0.090 4.713 4.640 0.271 0.000 0.250 127 D C -0.012 176.519 176.300 0.384 0.000 1.264 127 D CA -1.069 53.105 54.000 0.289 0.000 0.911 127 D CB -0.063 40.855 40.800 0.197 0.000 1.056 127 D HN 0.285 8.831 8.370 0.292 0.000 0.499 128 F N 7.796 127.902 119.950 0.259 0.000 2.171 128 F HA -0.417 4.381 4.527 0.452 0.000 0.300 128 F C 0.965 176.945 175.800 0.301 0.000 1.090 128 F CA 3.514 61.705 58.000 0.319 0.000 1.293 128 F CB 0.906 40.024 39.000 0.197 0.000 1.013 128 F HN 0.260 8.853 8.300 0.489 0.000 0.486 129 E N -1.763 118.675 120.200 0.396 0.000 2.047 129 E HA -0.410 4.108 4.350 0.282 0.000 0.191 129 E C 2.166 178.862 176.600 0.159 0.000 0.987 129 E CA 2.878 59.435 56.400 0.261 0.000 0.799 129 E CB -0.865 28.967 29.700 0.220 0.000 0.752 129 E HN -0.181 8.511 8.360 0.399 -0.092 0.449 130 K N -0.288 120.210 120.400 0.165 0.000 2.057 130 K HA -0.291 4.087 4.320 0.097 0.000 0.207 130 K C 2.342 179.014 176.600 0.120 0.000 1.049 130 K CA 3.038 59.399 56.287 0.124 0.000 0.931 130 K CB -0.030 32.542 32.500 0.119 0.000 0.714 130 K HN -0.676 7.967 8.250 0.189 -0.280 0.440 131 F N 0.247 120.199 119.950 0.004 0.000 2.102 131 F HA -0.332 4.166 4.527 -0.050 0.000 0.298 131 F C 1.496 177.292 175.800 -0.006 0.000 1.105 131 F CA 2.892 60.867 58.000 -0.041 0.000 1.239 131 F CB 0.081 39.054 39.000 -0.044 0.000 0.991 131 F HN -0.114 8.367 8.300 0.301 0.000 0.474 132 Q N -1.461 118.134 119.800 -0.342 0.000 2.170 132 Q HA -0.441 3.544 4.340 -0.593 0.000 0.203 132 Q C 2.338 178.316 176.000 -0.036 0.000 0.976 132 Q CA 3.368 58.987 55.803 -0.307 0.000 0.858 132 Q CB -0.367 28.293 28.738 -0.130 0.000 0.907 132 Q HN 0.119 8.291 8.270 -0.163 0.000 0.433 133 R N -0.569 119.932 120.500 0.002 0.000 2.081 133 R HA -0.349 4.030 4.340 0.066 0.000 0.235 133 R C 2.518 178.848 176.300 0.051 0.000 1.131 133 R CA 3.515 59.644 56.100 0.047 0.000 0.960 133 R CB -0.307 30.017 30.300 0.040 0.000 0.856 133 R HN -0.233 8.040 8.270 0.005 0.000 0.436 134 S N -1.136 114.564 115.700 -0.000 0.000 2.368 134 S HA -0.215 4.290 4.470 0.058 0.000 0.224 134 S C 1.710 176.273 174.600 -0.061 0.000 1.029 134 S CA 2.990 61.213 58.200 0.037 0.000 0.988 134 S CB -0.442 62.853 63.200 0.157 0.000 0.838 134 S HN -0.514 7.783 8.310 -0.022 0.000 0.462 135 A N 1.505 124.205 122.820 -0.200 0.000 1.902 135 A HA -0.325 3.815 4.320 -0.299 0.000 0.217 135 A C 2.028 179.586 177.584 -0.042 0.000 1.181 135 A CA 2.969 54.879 52.037 -0.212 0.000 0.623 135 A CB -0.707 18.092 19.000 -0.336 0.000 0.818 135 A HN -0.152 7.792 8.150 -0.342 0.000 0.443 136 Y N 0.723 121.007 120.300 -0.026 0.000 2.165 136 Y HA -0.423 4.054 4.550 -0.121 0.000 0.286 136 Y C 1.894 177.716 175.900 -0.130 0.000 1.155 136 Y CA 3.440 61.472 58.100 -0.113 0.000 1.164 136 Y CB 0.011 38.346 38.460 -0.209 0.000 0.978 136 Y HN -0.245 8.171 8.280 0.226 0.000 0.513 137 A N -4.180 118.592 122.820 -0.080 0.000 2.168 137 A HA -0.242 3.976 4.320 -0.169 0.000 0.215 137 A C -0.341 177.104 177.584 -0.231 0.000 1.152 137 A CA 2.178 54.133 52.037 -0.135 0.000 0.716 137 A CB -0.436 18.554 19.000 -0.017 0.000 0.794 137 A HN -0.337 7.833 8.150 0.033 0.000 0.465 138 N N -4.658 113.852 118.700 -0.316 0.000 2.159 138 N HA 0.223 4.758 4.740 -0.342 0.000 0.217 138 N C -1.715 173.587 175.510 -0.347 0.000 1.223 138 N CA -0.191 52.606 53.050 -0.423 0.000 0.896 138 N CB 3.109 41.077 38.487 -0.865 0.000 1.064 138 N HN -0.474 7.541 8.380 -0.305 0.183 0.518 139 L N -0.005 121.059 121.223 -0.266 0.000 2.325 139 L HA 0.614 5.059 4.340 -0.121 -0.178 0.278 139 L C -0.885 175.888 176.870 -0.162 0.000 1.023 139 L CA -0.909 53.838 54.840 -0.155 0.000 0.811 139 L CB 2.622 44.649 42.059 -0.053 0.000 1.249 139 L HN -0.648 7.406 8.230 -0.294 0.000 0.431 140 R N 2.284 122.734 120.500 -0.083 0.000 2.738 140 R HA 0.090 4.482 4.340 -0.107 -0.116 0.275 140 R C -0.239 176.024 176.300 -0.061 0.000 1.121 140 R CA -1.728 54.329 56.100 -0.073 0.000 1.207 140 R CB 0.519 30.802 30.300 -0.029 0.000 1.141 140 R HN 0.257 8.500 8.270 -0.045 0.000 0.571 141 K N 0.481 120.846 120.400 -0.058 0.000 2.412 141 K HA -0.355 3.934 4.320 -0.051 0.000 0.281 141 K C -0.184 176.421 176.600 0.008 0.000 1.027 141 K CA 2.022 58.288 56.287 -0.035 0.000 0.989 141 K CB -0.194 32.286 32.500 -0.034 0.000 0.935 141 K HN 0.359 8.574 8.250 -0.058 0.000 0.475 142 D N 1.900 122.335 120.400 0.058 0.000 3.059 142 D HA -0.310 4.481 4.640 0.136 -0.070 0.220 142 D C 0.221 176.551 176.300 0.051 0.000 1.169 142 D CA 1.976 56.022 54.000 0.076 0.000 0.902 142 D CB -0.395 40.431 40.800 0.043 0.000 1.116 142 D HN 0.165 8.581 8.370 0.076 0.000 0.417 143 G N -2.363 106.491 108.800 0.090 0.000 2.554 143 G HA2 -0.073 4.076 3.960 0.192 0.000 0.238 143 G HA3 -0.073 3.979 3.960 0.153 0.000 0.238 143 G C -1.100 173.951 174.900 0.251 0.000 1.259 143 G CA 0.122 45.323 45.100 0.168 0.000 0.843 143 G HN -0.260 8.009 8.290 0.068 0.061 0.582 144 T N 4.002 118.765 114.554 0.349 0.000 2.845 144 T HA 0.470 5.252 4.350 0.387 -0.199 0.288 144 T C -1.232 173.624 174.700 0.259 0.000 0.980 144 T CA 0.820 63.146 62.100 0.376 0.000 1.071 144 T CB 1.637 70.818 68.868 0.522 0.000 0.941 144 T HN -0.075 8.419 8.240 0.423 0.000 0.487 145 I N 6.590 127.267 120.570 0.178 0.000 2.377 145 I HA 0.699 5.130 4.170 0.110 -0.194 0.293 145 I C -2.852 173.314 176.117 0.081 0.000 0.987 145 I CA -2.835 58.498 61.300 0.054 0.000 1.185 145 I CB 3.429 41.284 38.000 -0.240 0.000 1.341 145 I HN 0.161 8.483 8.210 0.187 0.000 0.455 146 A N 8.772 131.694 122.820 0.170 0.000 2.375 146 A HA 0.821 5.412 4.320 0.162 -0.174 0.295 146 A C -2.206 175.591 177.584 0.354 0.000 1.066 146 A CA -1.685 50.498 52.037 0.243 0.000 0.722 146 A CB 2.920 22.096 19.000 0.293 0.000 1.206 146 A HN 0.441 8.711 8.150 0.200 0.000 0.435 147 I N 2.983 123.771 120.570 0.364 0.000 2.436 147 I HA 0.812 5.289 4.170 0.182 -0.198 0.289 147 I C -1.611 174.706 176.117 0.335 0.000 1.010 147 I CA -1.192 60.294 61.300 0.311 0.000 1.098 147 I CB 2.791 41.023 38.000 0.386 0.000 1.266 147 I HN 0.351 8.764 8.210 0.339 0.000 0.434 148 W N 3.388 124.531 121.300 -0.261 0.000 3.025 148 W HA 0.728 4.840 4.660 -1.119 -0.124 0.343 148 W C -2.778 173.205 176.519 -0.894 0.000 1.246 148 W CA -1.596 55.303 57.345 -0.744 0.000 1.178 148 W CB 3.118 32.227 29.460 -0.585 0.000 1.463 148 W HN 0.257 8.299 8.180 -0.230 0.000 0.578 149 G N -2.969 105.272 108.800 -0.931 0.000 2.430 149 G HA2 0.589 4.372 3.960 -0.355 0.000 0.300 149 G HA3 0.589 4.339 3.960 -0.415 -0.039 0.300 149 G C -3.435 171.364 174.900 -0.168 0.000 1.330 149 G CA 0.466 45.266 45.100 -0.499 0.000 0.813 149 G HN -0.215 7.438 8.290 -1.062 0.000 0.487 150 Y N -4.825 115.449 120.300 -0.044 0.000 2.609 150 Y HA 1.011 5.840 4.550 0.124 -0.205 0.336 150 Y C -2.890 173.065 175.900 0.093 0.000 1.129 150 Y CA -2.456 55.667 58.100 0.039 0.000 1.040 150 Y CB 3.352 41.731 38.460 -0.135 0.000 1.310 150 Y HN 0.096 8.376 8.280 -0.483 -0.289 0.460 151 A N -1.322 121.755 122.820 0.429 0.000 2.586 151 A HA 0.290 4.846 4.320 0.393 0.000 0.291 151 A C -2.506 175.336 177.584 0.430 0.000 1.062 151 A CA -0.409 51.833 52.037 0.341 0.000 0.666 151 A CB 2.912 21.917 19.000 0.010 0.000 1.281 151 A HN 0.068 8.536 8.150 0.529 0.000 0.421 152 D N -3.566 117.009 120.400 0.292 0.000 2.956 152 D HA -0.266 4.466 4.640 0.154 0.000 0.240 152 D C -1.515 174.840 176.300 0.091 0.000 1.141 152 D CA 0.461 54.562 54.000 0.168 0.000 0.820 152 D CB -1.333 39.541 40.800 0.123 0.000 0.988 152 D HN 0.551 9.075 8.370 0.257 0.000 0.417 153 P HA 0.224 4.560 4.420 -0.388 -0.150 0.274 153 P C -0.787 176.347 177.300 -0.276 0.000 1.246 153 P CA -0.472 62.373 63.100 -0.426 0.000 0.795 153 P CB 1.070 32.100 31.700 -1.117 0.000 1.006 154 I N -6.632 113.739 120.570 -0.333 0.000 3.145 154 I HA 0.413 4.493 4.170 -0.152 0.000 0.313 154 I C -1.631 174.267 176.117 -0.366 0.000 1.122 154 I CA -1.762 59.413 61.300 -0.209 0.000 0.987 154 I CB 3.113 41.096 38.000 -0.028 0.000 1.236 154 I HN 0.062 8.062 8.210 -0.351 0.000 0.453 155 F N -0.192 119.748 119.950 -0.017 0.000 2.334 155 F HA 0.727 5.419 4.527 0.002 -0.164 0.367 155 F C -0.725 175.114 175.800 0.064 0.000 1.115 155 F CA -2.415 55.610 58.000 0.040 0.000 1.116 155 F CB -0.462 38.623 39.000 0.142 0.000 1.230 155 F HN 0.590 9.076 8.300 0.311 0.000 0.484 156 P HA -0.244 4.219 4.420 0.071 0.000 0.216 156 P C 0.453 177.792 177.300 0.066 0.000 1.153 156 P CA 2.614 65.772 63.100 0.096 0.000 0.858 156 P CB 0.091 31.839 31.700 0.081 0.000 0.789 157 D N -4.452 115.999 120.400 0.085 0.000 2.339 157 D HA 0.068 4.623 4.640 -0.143 0.000 0.217 157 D C -1.044 174.986 176.300 -0.451 0.000 1.050 157 D CA 1.243 55.162 54.000 -0.136 0.000 0.856 157 D CB 0.111 40.829 40.800 -0.138 0.000 0.922 157 D HN 0.506 8.992 8.370 0.194 0.000 0.518 158 Y N -1.403 118.812 120.300 -0.141 0.000 2.584 158 Y HA 0.583 4.992 4.550 -0.440 -0.123 0.358 158 Y C -1.709 174.013 175.900 -0.297 0.000 1.028 158 Y CA -2.589 55.262 58.100 -0.415 0.000 1.148 158 Y CB 0.855 38.809 38.460 -0.843 0.000 1.126 158 Y HN -0.482 7.714 8.280 0.145 0.171 0.658 159 P HA -0.018 4.583 4.420 0.025 -0.166 0.225 159 P C 0.808 178.089 177.300 -0.032 0.000 1.148 159 P CA 1.098 64.176 63.100 -0.036 0.000 0.779 159 P CB 0.259 31.931 31.700 -0.048 0.000 0.780 160 E N -1.363 118.758 120.200 -0.132 0.000 2.333 160 E HA -0.210 4.136 4.350 -0.007 0.000 0.198 160 E C 0.519 177.199 176.600 0.133 0.000 1.007 160 E CA 3.221 59.585 56.400 -0.060 0.000 0.845 160 E CB -1.189 28.427 29.700 -0.140 0.000 0.766 160 E HN 0.335 8.532 8.360 -0.224 0.029 0.507 161 F N -4.991 114.992 119.950 0.055 0.000 2.765 161 F HA 0.218 4.756 4.527 0.017 0.000 0.302 161 F C 0.271 176.150 175.800 0.131 0.000 1.111 161 F CA -1.677 56.359 58.000 0.061 0.000 1.359 161 F CB -0.762 38.249 39.000 0.018 0.000 1.097 161 F HN -0.470 7.782 8.300 -0.022 0.036 0.577 162 D N -1.515 119.041 120.400 0.260 0.000 2.144 162 D HA -0.303 4.466 4.640 0.216 0.000 0.199 162 D C 1.031 177.449 176.300 0.195 0.000 0.984 162 D CA 3.084 57.204 54.000 0.200 0.000 0.834 162 D CB 0.087 40.962 40.800 0.126 0.000 0.955 162 D HN -0.568 7.766 8.370 0.199 0.156 0.465 163 D N -2.725 117.787 120.400 0.186 0.000 2.144 163 D HA -0.240 4.504 4.640 0.173 0.000 0.200 163 D C 0.304 176.746 176.300 0.236 0.000 0.978 163 D CA 1.893 56.004 54.000 0.186 0.000 0.833 163 D CB -0.938 39.957 40.800 0.157 0.000 0.961 163 D HN 0.439 8.915 8.370 0.176 0.000 0.470 167 E N 1.497 121.878 120.200 0.302 0.000 2.106 167 E HA -0.175 4.327 4.350 0.254 0.000 0.192 167 E C 2.051 178.816 176.600 0.275 0.000 0.984 167 E CA 2.529 59.103 56.400 0.290 0.000 0.806 167 E CB 0.293 30.193 29.700 0.333 0.000 0.750 167 E HN -0.197 8.346 8.360 0.304 0.000 0.458 168 V N -0.074 120.060 119.914 0.366 0.000 2.233 168 V HA -0.314 4.001 4.120 0.325 0.000 0.247 168 V C -0.850 175.418 176.094 0.289 0.000 1.050 168 V CA 6.058 68.574 62.300 0.359 0.000 1.010 168 V CB -2.016 30.067 31.823 0.435 0.000 0.637 168 V HN -0.121 8.311 8.190 0.402 0.000 0.444 169 P HA -0.059 4.606 4.420 0.409 0.000 0.220 169 P C 0.855 178.131 177.300 -0.040 0.000 1.152 169 P CA 2.502 65.593 63.100 -0.015 0.000 0.812 169 P CB 0.111 31.308 31.700 -0.838 0.000 0.792 170 Y N -3.516 116.981 120.300 0.327 0.000 2.612 170 Y HA 0.188 4.952 4.550 0.356 0.000 0.250 170 Y C 0.408 176.422 175.900 0.190 0.000 1.175 170 Y CA -1.783 56.474 58.100 0.263 0.000 1.205 170 Y CB -0.437 38.112 38.460 0.148 0.000 1.201 170 Y HN -0.234 8.108 8.280 0.105 0.000 0.532 171 G N 0.323 109.263 108.800 0.233 0.000 2.305 171 G HA2 -0.226 3.962 3.960 0.146 0.000 0.243 171 G HA3 -0.226 3.929 3.960 0.060 -0.158 0.243 171 G C -0.350 174.637 174.900 0.144 0.000 1.288 171 G CA 0.119 45.301 45.100 0.138 0.000 0.901 171 G HN -0.470 7.936 8.290 0.193 0.000 0.516 172 K N 4.254 124.728 120.400 0.123 0.000 2.362 172 K HA -0.178 4.228 4.320 0.142 0.000 0.200 172 K C 0.399 177.063 176.600 0.106 0.000 1.046 172 K CA 2.171 58.529 56.287 0.118 0.000 0.952 172 K CB 0.174 32.728 32.500 0.090 0.000 0.753 172 K HN 0.525 8.841 8.250 0.110 0.000 0.466 173 Q N -3.889 115.965 119.800 0.090 0.000 2.144 173 Q HA 0.272 4.700 4.340 0.146 0.000 0.305 173 Q C -0.813 175.272 176.000 0.141 0.000 0.876 173 Q CA -0.789 55.086 55.803 0.120 0.000 1.130 173 Q CB -0.099 28.688 28.738 0.083 0.000 1.267 173 Q HN -0.217 8.091 8.270 0.063 0.000 0.433 174 G N -0.478 108.383 108.800 0.101 0.000 3.414 174 G HA2 0.473 4.447 3.960 0.023 0.000 0.196 174 G HA3 0.473 4.335 3.960 -0.162 0.000 0.196 174 G C -0.679 174.263 174.900 0.070 0.000 1.486 174 G CA -0.889 44.200 45.100 -0.017 0.000 0.811 174 G HN -0.384 7.795 8.290 0.106 0.174 0.704 175 L N -0.093 121.076 121.223 -0.091 0.000 2.395 175 L HA -0.051 4.292 4.340 0.005 0.000 0.218 175 L C 2.174 179.178 176.870 0.224 0.000 1.130 175 L CA 1.120 55.962 54.840 0.004 0.000 0.826 175 L CB 0.021 42.028 42.059 -0.086 0.000 0.941 175 L HN 0.236 8.378 8.230 -0.147 0.000 0.451 176 G N 0.188 109.172 108.800 0.307 0.000 2.513 176 G HA2 -0.224 4.226 3.960 0.657 0.000 0.219 176 G HA3 -0.224 4.043 3.960 0.374 -0.083 0.219 176 G C -1.456 173.665 174.900 0.369 0.000 1.160 176 G CA 3.148 48.511 45.100 0.438 0.000 0.767 176 G HN -0.006 8.396 8.290 0.251 0.039 0.571 177 P HA -0.123 4.335 4.420 0.064 0.000 0.230 177 P C -0.743 176.495 177.300 -0.103 0.000 1.158 177 P CA 0.745 63.852 63.100 0.012 0.000 0.769 177 P CB -0.206 31.408 31.700 -0.142 0.000 0.807 178 Y N -5.124 115.207 120.300 0.052 0.000 2.500 178 Y HA 0.009 4.572 4.550 0.023 0.000 0.270 178 Y C 0.453 176.324 175.900 -0.049 0.000 1.134 178 Y CA 0.794 58.877 58.100 -0.029 0.000 1.293 178 Y CB 0.513 38.921 38.460 -0.086 0.000 1.063 178 Y HN -0.690 7.693 8.280 0.271 0.059 0.534 179 W N -0.783 120.679 121.300 0.271 0.000 2.303 179 W HA -0.074 4.748 4.660 0.269 0.000 0.318 179 W C 0.011 176.654 176.519 0.207 0.000 1.362 179 W CA -0.312 57.180 57.345 0.244 0.000 1.234 179 W CB 0.434 30.031 29.460 0.229 0.000 1.248 179 W HN -0.921 7.430 8.180 0.284 0.000 0.546 180 E N 3.942 124.437 120.200 0.492 0.000 2.360 180 E HA -0.049 4.462 4.350 0.269 0.000 0.269 180 E C -0.815 176.014 176.600 0.381 0.000 1.022 180 E CA 0.335 56.962 56.400 0.378 0.000 0.887 180 E CB 0.724 30.643 29.700 0.367 0.000 0.990 180 E HN 0.132 8.823 8.360 0.551 0.000 0.426 181 Q N 4.030 123.981 119.800 0.253 0.000 2.348 181 Q HA 0.341 4.845 4.340 0.177 -0.057 0.271 181 Q C -1.399 174.696 176.000 0.158 0.000 1.067 181 Q CA -2.476 53.435 55.803 0.180 0.000 0.839 181 Q CB 0.588 29.399 28.738 0.123 0.000 1.354 181 Q HN 0.391 8.788 8.270 0.211 0.000 0.447 182 P HA 0.251 4.704 4.420 0.055 0.000 0.257 182 P C 0.302 177.630 177.300 0.047 0.000 1.281 182 P CA -0.043 63.098 63.100 0.068 0.000 0.826 182 P CB 0.829 32.553 31.700 0.039 0.000 1.237 183 G N 1.159 110.029 108.800 0.117 0.000 2.440 183 G HA2 -0.385 3.680 3.960 -0.070 0.000 0.218 183 G HA3 -0.385 3.544 3.960 -0.051 0.000 0.218 183 G C 0.918 175.728 174.900 -0.150 0.000 1.154 183 G CA 1.952 47.032 45.100 -0.033 0.000 0.767 183 G HN 0.272 8.632 8.290 0.221 0.062 0.552 184 R N 0.927 121.400 120.500 -0.045 0.000 2.066 184 R HA -0.275 3.895 4.340 -0.284 0.000 0.232 184 R C 2.008 178.174 176.300 -0.224 0.000 1.131 184 R CA 2.803 58.806 56.100 -0.162 0.000 0.955 184 R CB -0.193 30.085 30.300 -0.036 0.000 0.851 184 R HN -0.224 8.104 8.270 0.097 0.000 0.432 185 S N -0.933 114.680 115.700 -0.145 0.000 2.382 185 S HA -0.163 4.183 4.470 -0.207 0.000 0.228 185 S C 1.908 176.385 174.600 -0.204 0.000 1.027 185 S CA 2.600 60.697 58.200 -0.172 0.000 0.991 185 S CB -0.670 62.461 63.200 -0.114 0.000 0.823 185 S HN -0.174 8.383 8.310 -0.080 -0.294 0.469 186 R N 0.437 120.821 120.500 -0.194 0.000 2.081 186 R HA -0.265 3.937 4.340 -0.230 0.000 0.235 186 R C 1.668 177.771 176.300 -0.327 0.000 1.131 186 R CA 2.802 58.763 56.100 -0.233 0.000 0.960 186 R CB -0.062 30.131 30.300 -0.178 0.000 0.856 186 R HN -0.575 7.600 8.270 -0.158 0.000 0.436 187 L N 0.125 121.106 121.223 -0.403 0.000 2.017 187 L HA -0.223 3.795 4.340 -0.536 0.000 0.208 187 L C 1.762 178.414 176.870 -0.363 0.000 1.073 187 L CA 2.980 57.501 54.840 -0.532 0.000 0.745 187 L CB -0.179 41.335 42.059 -0.908 0.000 0.894 187 L HN -0.236 7.758 8.230 -0.395 0.000 0.432 188 R N -2.556 117.752 120.500 -0.320 0.000 2.105 188 R HA -0.314 3.906 4.340 -0.199 0.000 0.239 188 R C 1.585 177.762 176.300 -0.206 0.000 1.135 188 R CA 1.569 57.525 56.100 -0.240 0.000 0.967 188 R CB -0.370 29.770 30.300 -0.265 0.000 0.861 188 R HN -0.259 7.809 8.270 -0.336 0.000 0.442 192 K N 1.044 121.223 120.400 -0.368 0.000 2.362 192 K HA -0.179 4.020 4.320 -0.201 0.000 0.200 192 K C -0.225 176.165 176.600 -0.350 0.000 1.046 192 K CA 2.188 58.289 56.287 -0.310 0.000 0.952 192 K CB 0.316 32.593 32.500 -0.372 0.000 0.753 192 K HN -0.374 7.655 8.250 -0.369 0.000 0.466 193 D N -4.358 115.817 120.400 -0.375 0.000 2.349 193 D HA 0.089 4.605 4.640 -0.206 0.000 0.214 193 D C -0.931 175.079 176.300 -0.483 0.000 1.063 193 D CA 0.152 53.965 54.000 -0.312 0.000 0.847 193 D CB -0.016 40.678 40.800 -0.177 0.000 0.933 193 D HN -0.046 8.063 8.370 -0.368 0.041 0.513 194 S N -0.460 114.781 115.700 -0.765 0.000 2.502 194 S HA 0.240 4.363 4.470 -0.578 0.000 0.304 194 S C -1.346 172.666 174.600 -0.979 0.000 1.097 194 S CA -0.957 56.715 58.200 -0.879 0.000 1.045 194 S CB 1.754 64.195 63.200 -1.265 0.000 1.019 194 S HN -0.717 7.094 8.310 -0.747 0.051 0.481 195 H N 3.276 122.243 119.070 -0.172 0.000 2.589 195 H HA 0.336 4.917 4.556 0.042 0.000 0.351 195 H C -0.248 175.258 175.328 0.297 0.000 1.074 195 H CA -0.774 55.311 56.048 0.062 0.000 1.203 195 H CB 2.853 32.657 29.762 0.071 0.000 1.558 195 H HN 0.107 8.308 8.280 -0.131 0.000 0.522 196 L N 2.480 123.963 121.223 0.433 0.000 2.540 196 L HA -0.227 4.566 4.340 0.475 -0.168 0.276 196 L C 0.602 177.715 176.870 0.405 0.000 1.212 196 L CA 0.637 55.728 54.840 0.418 0.000 0.893 196 L CB 0.074 42.283 42.059 0.250 0.000 1.138 196 L HN 0.167 8.613 8.230 0.360 0.000 0.491 197 D N 6.253 126.912 120.400 0.433 0.000 2.343 197 D HA 0.228 5.010 4.640 0.236 0.000 0.255 197 D C -0.559 175.884 176.300 0.238 0.000 1.187 197 D CA -2.541 51.624 54.000 0.276 0.000 0.875 197 D CB 1.204 42.124 40.800 0.200 0.000 1.136 197 D HN 0.023 9.037 8.370 0.507 -0.340 0.469 198 P HA 0.182 4.903 4.420 0.199 -0.182 0.230 198 P C 0.416 177.761 177.300 0.075 0.000 1.158 198 P CA 1.107 64.294 63.100 0.145 0.000 0.769 198 P CB 0.354 32.120 31.700 0.109 0.000 0.807 199 E N -2.379 117.830 120.200 0.015 0.000 2.285 199 E HA -0.149 4.176 4.350 -0.042 0.000 0.194 199 E C 1.075 177.572 176.600 -0.172 0.000 0.997 199 E CA 1.686 58.046 56.400 -0.067 0.000 0.845 199 E CB 0.232 29.876 29.700 -0.093 0.000 0.782 199 E HN -0.114 8.558 8.360 0.023 -0.299 0.491 200 L N -4.191 116.898 121.223 -0.223 0.000 2.425 200 L HA 0.058 3.993 4.340 -0.676 0.000 0.215 200 L C -0.955 175.526 176.870 -0.649 0.000 1.065 200 L CA 1.115 55.621 54.840 -0.556 0.000 0.842 200 L CB 1.523 43.180 42.059 -0.670 0.000 1.033 200 L HN -0.475 7.546 8.230 -0.100 0.149 0.474 201 F N -4.516 115.537 119.950 0.172 0.000 2.576 201 F HA 0.822 5.702 4.527 0.244 -0.208 0.313 201 F C -1.264 174.677 175.800 0.236 0.000 1.078 201 F CA -1.880 56.246 58.000 0.210 0.000 0.921 201 F CB 3.642 42.748 39.000 0.177 0.000 1.232 201 F HN -0.323 8.036 8.300 0.099 0.000 0.459 202 H N -1.098 118.149 119.070 0.295 0.000 2.906 202 H HA 0.292 4.967 4.556 0.197 0.000 0.337 202 H C -0.983 174.485 175.328 0.234 0.000 1.257 202 H CA -1.699 54.473 56.048 0.207 0.000 1.192 202 H CB 3.027 32.861 29.762 0.120 0.000 1.912 202 H HN 0.537 9.015 8.280 0.330 0.000 0.573 203 D N -2.107 118.343 120.400 0.083 0.000 2.708 203 D HA -0.374 4.351 4.640 0.141 0.000 0.236 203 D C -1.735 174.686 176.300 0.203 0.000 1.146 203 D CA 1.064 55.114 54.000 0.084 0.000 0.662 203 D CB -1.279 39.465 40.800 -0.094 0.000 1.059 203 D HN 0.396 8.917 8.370 0.252 0.000 0.428 204 I N -2.486 118.199 120.570 0.192 0.000 2.533 204 I HA -0.143 4.375 4.170 0.187 -0.236 0.284 204 I C -0.120 176.084 176.117 0.145 0.000 1.109 204 I CA 0.465 61.875 61.300 0.182 0.000 1.412 204 I CB 0.666 38.780 38.000 0.190 0.000 1.396 204 I HN -0.443 7.880 8.210 0.188 -0.001 0.543 205 Q N 8.126 127.985 119.800 0.099 0.000 2.321 205 Q HA 0.391 4.777 4.340 0.076 0.000 0.270 205 Q C -2.019 173.991 176.000 0.017 0.000 1.032 205 Q CA -1.990 53.854 55.803 0.068 0.000 0.784 205 Q CB 2.963 31.744 28.738 0.072 0.000 1.264 205 Q HN 0.175 8.487 8.270 0.071 0.000 0.448 206 V N 2.425 122.299 119.914 -0.067 0.000 2.823 206 V HA 0.766 4.925 4.120 -0.273 -0.204 0.312 206 V C -1.108 174.688 176.094 -0.497 0.000 1.072 206 V CA -1.776 60.367 62.300 -0.262 0.000 0.937 206 V CB 3.344 35.072 31.823 -0.158 0.000 1.013 206 V HN 0.209 8.374 8.190 -0.042 0.000 0.430 207 S N 5.012 120.166 115.700 -0.910 0.000 2.603 207 S HA 0.350 4.559 4.470 -0.436 0.000 0.274 207 S C -1.873 172.292 174.600 -0.726 0.000 1.168 207 S CA -0.257 57.482 58.200 -0.767 0.000 0.963 207 S CB 2.354 64.866 63.200 -1.147 0.000 1.078 207 S HN 0.359 8.047 8.310 -1.037 0.000 0.477 208 Y N 4.742 125.029 120.300 -0.020 0.000 2.409 208 Y HA 0.651 5.426 4.550 0.126 -0.148 0.339 208 Y C -0.493 175.524 175.900 0.197 0.000 1.033 208 Y CA -1.811 56.344 58.100 0.092 0.000 1.094 208 Y CB 2.440 40.936 38.460 0.060 0.000 1.210 208 Y HN 0.120 8.395 8.280 -0.008 0.000 0.456 209 F N 2.867 122.933 119.950 0.194 0.000 2.557 209 F HA 0.361 4.986 4.527 0.164 0.000 0.316 209 F C -2.134 173.752 175.800 0.143 0.000 1.141 209 F CA -1.264 56.812 58.000 0.127 0.000 0.922 209 F CB 3.855 42.861 39.000 0.009 0.000 1.194 209 F HN 0.454 9.006 8.300 0.420 0.000 0.443 210 C N 9.131 128.114 119.300 -0.529 0.000 2.285 210 C HA 0.476 4.991 4.460 -0.205 -0.178 0.335 210 C C 0.827 175.351 174.990 -0.777 0.000 1.267 210 C CA -2.187 56.572 59.018 -0.431 0.000 1.762 210 C CB 0.185 27.779 27.740 -0.243 0.000 2.365 210 C HN 0.809 8.711 8.230 -0.546 0.000 0.527 211 A N 8.629 131.255 122.820 -0.325 0.000 2.024 211 A HA -0.276 4.044 4.320 0.000 0.000 0.220 211 A C 1.730 179.245 177.584 -0.114 0.000 1.164 211 A CA 2.940 54.908 52.037 -0.115 0.000 0.643 211 A CB -0.083 18.944 19.000 0.044 0.000 0.806 211 A HN 0.786 9.171 8.150 -0.134 -0.316 0.451 212 E N -1.590 118.534 120.200 -0.127 0.000 2.333 212 E HA -0.343 3.991 4.350 -0.027 0.000 0.198 212 E C 2.220 178.785 176.600 -0.059 0.000 1.007 212 E CA 2.390 58.752 56.400 -0.064 0.000 0.845 212 E CB -0.524 29.146 29.700 -0.051 0.000 0.766 212 E HN -0.424 7.837 8.360 -0.137 0.017 0.507 213 D N -0.029 120.288 120.400 -0.138 0.000 2.263 213 D HA -0.207 4.432 4.640 -0.002 0.000 0.208 213 D C 2.436 178.798 176.300 0.103 0.000 0.971 213 D CA 3.074 57.059 54.000 -0.026 0.000 0.867 213 D CB -0.589 40.201 40.800 -0.018 0.000 0.929 213 D HN -0.132 7.929 8.370 -0.285 0.138 0.492 214 V N -4.790 115.205 119.914 0.136 0.000 2.867 214 V HA -0.255 3.988 4.120 0.205 0.000 0.260 214 V C 0.783 176.934 176.094 0.096 0.000 1.099 214 V CA 2.660 65.060 62.300 0.167 0.000 1.122 214 V CB -0.351 31.583 31.823 0.186 0.000 0.708 214 V HN -0.684 7.548 8.190 0.106 0.022 0.490 215 R N -2.999 117.536 120.500 0.060 0.000 2.313 215 R HA -0.025 4.335 4.340 0.033 0.000 0.199 215 R C -0.616 175.705 176.300 0.034 0.000 0.958 215 R CA 0.726 56.847 56.100 0.035 0.000 1.047 215 R CB 0.329 30.639 30.300 0.016 0.000 0.955 215 R HN -0.777 7.493 8.270 0.048 0.029 0.481 216 D N -0.020 120.411 120.400 0.052 0.000 2.476 216 D HA 0.231 4.889 4.640 0.031 0.000 0.251 216 D C -0.747 175.594 176.300 0.069 0.000 1.291 216 D CA -1.442 52.585 54.000 0.045 0.000 0.939 216 D CB 1.607 42.427 40.800 0.033 0.000 1.221 216 D HN -0.561 7.616 8.370 0.072 0.236 0.567 217 K N 5.667 126.099 120.400 0.054 0.000 2.152 217 K HA -0.316 4.055 4.320 0.085 0.000 0.206 217 K C 1.155 177.805 176.600 0.084 0.000 1.048 217 K CA 2.744 59.070 56.287 0.065 0.000 0.933 217 K CB -0.420 32.096 32.500 0.027 0.000 0.721 217 K HN 0.404 8.676 8.250 0.037 0.000 0.447 218 V N 0.139 120.089 119.914 0.060 0.000 2.307 218 V HA -0.469 3.700 4.120 0.082 0.000 0.245 218 V C 1.678 177.825 176.094 0.088 0.000 1.045 218 V CA 3.761 66.102 62.300 0.069 0.000 1.024 218 V CB -0.196 31.647 31.823 0.033 0.000 0.651 218 V HN -0.167 8.248 8.190 0.043 -0.199 0.449 219 K N -1.208 119.229 120.400 0.062 0.000 2.063 219 K HA -0.342 3.953 4.320 -0.041 0.000 0.208 219 K C 2.410 179.083 176.600 0.121 0.000 1.048 219 K CA 3.123 59.428 56.287 0.030 0.000 0.928 219 K CB -0.146 32.375 32.500 0.035 0.000 0.713 219 K HN -0.839 7.638 8.250 0.056 -0.194 0.442 220 L N -3.277 118.087 121.223 0.236 0.000 2.093 220 L HA -0.300 4.362 4.340 0.537 0.000 0.208 220 L C 2.827 179.862 176.870 0.275 0.000 1.085 220 L CA 2.649 57.694 54.840 0.341 0.000 0.755 220 L CB -0.126 42.083 42.059 0.249 0.000 0.904 220 L HN -0.538 7.809 8.230 0.196 0.000 0.435 221 H N 0.270 119.406 119.070 0.109 0.000 2.421 221 H HA -0.212 4.394 4.556 0.084 0.000 0.298 221 H C 1.409 176.778 175.328 0.067 0.000 1.087 221 H CA 2.871 58.965 56.048 0.078 0.000 1.330 221 H CB 0.266 30.057 29.762 0.048 0.000 1.388 221 H HN -0.538 7.917 8.280 0.292 0.000 0.526 222 Q N -3.569 116.259 119.800 0.047 0.000 2.282 222 Q HA -0.038 4.256 4.340 -0.076 0.000 0.206 222 Q C -0.146 175.807 176.000 -0.078 0.000 0.878 222 Q CA -0.488 55.291 55.803 -0.040 0.000 0.944 222 Q CB 0.962 29.692 28.738 -0.013 0.000 1.100 222 Q HN -0.625 7.667 8.270 0.087 0.030 0.509 223 H N 2.025 121.125 119.070 0.049 0.000 3.125 223 H HA -0.114 4.494 4.556 0.086 0.000 0.310 223 H C 1.374 176.723 175.328 0.035 0.000 0.980 223 H CA 1.605 57.694 56.048 0.068 0.000 1.422 223 H CB 0.917 30.743 29.762 0.106 0.000 1.432 223 H HN -0.308 8.038 8.280 0.109 0.000 0.577 224 T N 0.816 115.435 114.554 0.110 0.000 3.160 224 T HA -0.069 4.313 4.350 0.053 0.000 0.257 224 T C 0.613 175.370 174.700 0.095 0.000 1.147 224 T CA 0.865 63.013 62.100 0.080 0.000 1.064 224 T CB 0.299 69.201 68.868 0.057 0.000 0.949 224 T HN 0.197 8.494 8.240 0.096 0.000 0.526 225 K N 0.387 120.865 120.400 0.129 0.000 3.253 225 K HA 0.054 4.427 4.320 0.089 0.000 0.171 225 K C -1.720 174.948 176.600 0.114 0.000 1.035 225 K CA 0.070 56.419 56.287 0.103 0.000 1.013 225 K CB 0.561 33.105 32.500 0.072 0.000 0.674 225 K HN -0.370 7.932 8.250 0.169 0.049 0.407 226 K N -1.120 119.335 120.400 0.092 0.000 4.418 226 K HA -0.241 4.094 4.320 0.024 0.000 0.285 226 K C -2.220 174.448 176.600 0.113 0.000 0.874 226 K CA 0.200 56.530 56.287 0.072 0.000 0.844 226 K CB -1.734 30.811 32.500 0.076 0.000 1.691 226 K HN 0.069 8.368 8.250 0.082 0.000 0.433 227 P HA -0.041 4.387 4.420 0.014 0.000 0.272 227 P C -0.662 176.571 177.300 -0.111 0.000 1.223 227 P CA -1.222 61.809 63.100 -0.114 0.000 0.784 227 P CB 0.734 32.147 31.700 -0.479 0.000 0.923 228 L N 1.392 122.604 121.223 -0.020 0.000 2.385 228 L HA 0.041 4.290 4.340 -0.153 0.000 0.281 228 L C -1.254 175.436 176.870 -0.300 0.000 1.106 228 L CA -0.157 54.581 54.840 -0.169 0.000 0.856 228 L CB 0.273 42.161 42.059 -0.285 0.000 1.186 228 L HN 0.148 8.431 8.230 0.087 0.000 0.453 229 L N 7.592 128.635 121.223 -0.300 0.000 2.272 229 L HA 0.208 4.328 4.340 -0.367 0.000 0.284 229 L C -0.865 175.931 176.870 -0.123 0.000 1.045 229 L CA -0.961 53.708 54.840 -0.285 0.000 0.842 229 L CB -0.082 41.808 42.059 -0.281 0.000 1.224 229 L HN 0.206 8.289 8.230 -0.246 0.000 0.430 230 I N 5.861 126.415 120.570 -0.027 0.000 2.310 230 I HA 0.122 4.260 4.170 -0.052 0.000 0.287 230 I C -1.582 174.651 176.117 0.193 0.000 1.073 230 I CA -0.610 60.698 61.300 0.013 0.000 1.216 230 I CB -0.328 37.617 38.000 -0.093 0.000 1.415 230 I HN 0.179 8.400 8.210 0.020 0.000 0.480 231 R N 6.008 126.578 120.500 0.116 0.000 2.599 231 R HA 0.754 5.355 4.340 0.154 -0.169 0.295 231 R C -1.075 175.298 176.300 0.123 0.000 0.963 231 R CA -1.550 54.626 56.100 0.127 0.000 0.883 231 R CB 3.084 33.423 30.300 0.065 0.000 1.171 231 R HN 0.282 8.581 8.270 0.050 0.000 0.450 232 K N 2.130 122.616 120.400 0.143 0.000 2.502 232 K HA 0.386 4.755 4.320 0.082 0.000 0.257 232 K C -2.390 174.271 176.600 0.100 0.000 0.938 232 K CA -1.539 54.819 56.287 0.117 0.000 0.819 232 K CB 3.846 36.450 32.500 0.173 0.000 1.333 232 K HN 0.637 8.965 8.250 0.130 0.000 0.434 233 Q N 3.566 123.420 119.800 0.089 0.000 2.322 233 Q HA 0.348 4.929 4.340 0.113 -0.173 0.256 233 Q C -0.121 175.943 176.000 0.108 0.000 0.960 233 Q CA -0.592 55.270 55.803 0.098 0.000 0.934 233 Q CB 0.110 28.894 28.738 0.076 0.000 1.200 233 Q HN 0.255 8.570 8.270 0.074 0.000 0.435 234 V N -1.199 118.804 119.914 0.147 0.000 2.876 234 V HA 0.701 5.297 4.120 0.132 -0.396 0.312 234 V C -0.482 175.709 176.094 0.161 0.000 1.085 234 V CA -3.101 59.301 62.300 0.170 0.000 0.945 234 V CB 3.556 35.530 31.823 0.252 0.000 1.017 234 V HN 0.671 8.963 8.190 0.169 0.000 0.428 235 T N -0.802 113.828 114.554 0.126 0.000 2.816 235 T HA 0.366 4.957 4.350 0.054 -0.208 0.282 235 T C 1.650 176.435 174.700 0.141 0.000 0.993 235 T CA -2.109 60.044 62.100 0.088 0.000 0.994 235 T CB 2.361 71.261 68.868 0.053 0.000 1.025 235 T HN 0.112 8.998 8.240 0.113 -0.579 0.529 236 L N -0.183 121.077 121.223 0.063 0.000 2.083 236 L HA -0.314 4.180 4.340 0.257 0.000 0.209 236 L C 2.041 179.042 176.870 0.219 0.000 1.083 236 L CA 3.266 58.181 54.840 0.125 0.000 0.752 236 L CB -0.637 41.344 42.059 -0.130 0.000 0.899 236 L HN 0.647 8.872 8.230 -0.009 0.000 0.433 237 V N -0.681 119.296 119.914 0.105 0.000 2.343 237 V HA -0.611 3.557 4.120 0.080 0.000 0.247 237 V C 1.984 178.134 176.094 0.094 0.000 1.051 237 V CA 4.628 66.977 62.300 0.081 0.000 1.036 237 V CB -0.354 31.489 31.823 0.033 0.000 0.654 237 V HN -0.711 7.511 8.190 0.062 0.005 0.451 238 E N -0.123 120.144 120.200 0.112 0.000 2.110 238 E HA -0.374 4.007 4.350 0.052 0.000 0.193 238 E C 2.484 179.160 176.600 0.126 0.000 0.988 238 E CA 3.054 59.513 56.400 0.098 0.000 0.804 238 E CB -0.251 29.511 29.700 0.104 0.000 0.745 238 E HN -0.527 7.902 8.360 0.115 0.000 0.458 239 F N 0.757 120.773 119.950 0.111 0.000 2.134 239 F HA -0.419 4.197 4.527 0.149 0.000 0.299 239 F C 1.093 176.854 175.800 -0.065 0.000 1.097 239 F CA 3.590 61.650 58.000 0.099 0.000 1.264 239 F CB 0.195 39.298 39.000 0.171 0.000 1.001 239 F HN -0.217 8.325 8.300 0.403 0.000 0.479 240 A N -1.131 121.738 122.820 0.082 0.000 1.933 240 A HA -0.409 3.767 4.320 -0.241 0.000 0.218 240 A C 1.966 179.367 177.584 -0.305 0.000 1.175 240 A CA 3.273 55.244 52.037 -0.110 0.000 0.628 240 A CB -1.156 17.900 19.000 0.095 0.000 0.814 240 A HN -0.058 8.255 8.150 0.271 0.000 0.444 241 D N -1.201 119.088 120.400 -0.184 0.000 2.144 241 D HA -0.255 4.242 4.640 -0.239 0.000 0.200 241 D C 1.902 178.043 176.300 -0.266 0.000 0.978 241 D CA 3.218 57.097 54.000 -0.202 0.000 0.833 241 D CB -0.142 40.603 40.800 -0.091 0.000 0.961 241 D HN -0.430 7.806 8.370 -0.088 0.081 0.470 242 Y N 1.020 121.069 120.300 -0.419 0.000 2.145 242 Y HA -0.351 4.017 4.550 -0.304 0.000 0.286 242 Y C 2.177 177.586 175.900 -0.818 0.000 1.145 242 Y CA 2.665 60.488 58.100 -0.461 0.000 1.148 242 Y CB -0.142 38.063 38.460 -0.425 0.000 0.981 242 Y HN -0.601 7.591 8.280 -0.147 0.000 0.507 243 V N 0.041 119.084 119.914 -1.451 0.000 2.324 243 V HA -0.611 1.230 4.120 -3.797 0.000 0.250 243 V C 2.025 177.195 176.094 -1.539 0.000 1.060 243 V CA 4.307 65.290 62.300 -2.195 0.000 1.042 243 V CB -0.553 30.346 31.823 -1.539 0.000 0.650 243 V HN -0.121 7.361 8.190 -1.179 0.000 0.450 244 R N -3.585 116.259 120.500 -1.094 0.000 2.285 244 R HA -0.240 3.024 4.340 -1.792 0.000 0.213 244 R C 1.565 177.655 176.300 -0.349 0.000 1.068 244 R CA 2.496 58.002 56.100 -0.990 0.000 1.004 244 R CB -0.286 29.618 30.300 -0.661 0.000 0.873 244 R HN -0.461 7.170 8.270 -0.907 0.094 0.467 245 T N -4.334 110.071 114.554 -0.248 0.000 3.107 245 T HA 0.087 4.547 4.350 0.183 0.000 0.249 245 T C 0.150 175.179 174.700 0.548 0.000 1.096 245 T CA 0.100 62.299 62.100 0.165 0.000 1.012 245 T CB 0.297 69.265 68.868 0.166 0.000 0.977 245 T HN -0.339 7.475 8.240 -0.436 0.165 0.527 246 W N 4.057 125.473 121.300 0.193 0.000 2.170 246 W HA 0.020 4.935 4.660 0.426 0.000 0.336 246 W C 1.204 177.928 176.519 0.342 0.000 1.283 246 W CA -0.674 56.850 57.345 0.299 0.000 1.224 246 W CB -0.322 29.221 29.460 0.138 0.000 1.132 246 W HN -0.237 7.774 8.180 0.054 0.201 0.571 247 S N 3.373 119.389 115.700 0.527 0.000 2.370 247 S HA -0.367 4.127 4.470 0.040 0.000 0.226 247 S C 1.828 176.451 174.600 0.037 0.000 1.033 247 S CA 3.183 61.449 58.200 0.109 0.000 1.011 247 S CB -0.891 62.232 63.200 -0.128 0.000 0.852 247 S HN 0.421 9.138 8.310 0.678 0.000 0.457 248 A N 1.286 123.950 122.820 -0.260 0.000 1.933 248 A HA -0.159 4.001 4.320 -0.267 0.000 0.218 248 A C 1.694 179.175 177.584 -0.172 0.000 1.175 248 A CA 2.595 54.344 52.037 -0.480 0.000 0.628 248 A CB -0.928 17.105 19.000 -1.612 0.000 0.814 248 A HN -0.127 7.744 8.150 -0.464 0.000 0.444 249 Y N 0.062 120.310 120.300 -0.086 0.000 2.200 249 Y HA -0.473 4.041 4.550 -0.060 0.000 0.290 249 Y C 1.247 177.183 175.900 0.059 0.000 1.137 249 Y CA 3.616 61.707 58.100 -0.015 0.000 1.163 249 Y CB -0.061 38.370 38.460 -0.048 0.000 0.988 249 Y HN -0.383 8.033 8.280 0.227 0.000 0.518 250 H N -0.010 119.112 119.070 0.087 0.000 2.319 250 H HA -0.533 4.013 4.556 -0.016 0.000 0.297 250 H C 2.279 177.528 175.328 -0.130 0.000 1.097 250 H CA 4.459 60.512 56.048 0.009 0.000 1.285 250 H CB 0.186 30.052 29.762 0.174 0.000 1.368 250 H HN -0.324 8.210 8.280 0.424 0.000 0.495 251 Q N -1.983 117.836 119.800 0.032 0.000 2.079 251 Q HA -0.289 4.058 4.340 0.011 0.000 0.200 251 Q C 2.170 177.977 176.000 -0.322 0.000 0.974 251 Q CA 2.609 58.396 55.803 -0.026 0.000 0.840 251 Q CB -0.416 28.418 28.738 0.160 0.000 0.898 251 Q HN -0.612 7.723 8.270 0.107 0.000 0.430 252 W N 0.809 121.605 121.300 -0.840 0.000 2.355 252 W HA -0.323 3.332 4.660 -1.675 0.000 0.309 252 W C 2.220 178.315 176.519 -0.708 0.000 1.206 252 W CA 3.583 60.222 57.345 -1.176 0.000 1.284 252 W CB -0.055 28.752 29.460 -1.089 0.000 1.145 252 W HN 0.135 8.076 8.180 -0.398 0.000 0.502 253 K N -1.748 118.305 120.400 -0.577 0.000 2.148 253 K HA -0.317 3.541 4.320 -0.770 0.000 0.204 253 K C 1.524 177.782 176.600 -0.569 0.000 1.050 253 K CA 2.154 58.052 56.287 -0.649 0.000 0.942 253 K CB -0.384 31.707 32.500 -0.682 0.000 0.724 253 K HN -0.218 7.716 8.250 -0.526 0.000 0.446 254 Q N -3.597 115.909 119.800 -0.489 0.000 2.425 254 Q HA -0.004 4.136 4.340 -0.333 0.000 0.204 254 Q C -0.174 175.643 176.000 -0.305 0.000 0.933 254 Q CA 0.300 55.885 55.803 -0.363 0.000 0.939 254 Q CB 0.472 29.008 28.738 -0.337 0.000 1.044 254 Q HN -0.800 7.158 8.270 -0.492 0.017 0.513 255 D N 1.555 121.735 120.400 -0.366 0.000 2.339 255 D HA 0.239 4.782 4.640 -0.161 0.000 0.256 255 D C -0.686 175.447 176.300 -0.278 0.000 1.214 255 D CA -2.597 51.251 54.000 -0.253 0.000 0.877 255 D CB 0.873 41.556 40.800 -0.195 0.000 1.111 255 D HN -0.713 7.211 8.370 -0.487 0.154 0.478 256 P HA -0.214 4.093 4.420 -0.188 0.000 0.221 256 P C 0.613 177.813 177.300 -0.167 0.000 1.145 256 P CA 1.490 64.489 63.100 -0.169 0.000 0.795 256 P CB 0.060 31.692 31.700 -0.113 0.000 0.775 257 K N -3.577 116.732 120.400 -0.152 0.000 2.442 257 K HA -0.206 4.054 4.320 -0.100 0.000 0.198 257 K C 1.005 177.500 176.600 -0.175 0.000 1.042 257 K CA 2.435 58.649 56.287 -0.122 0.000 0.958 257 K CB -0.758 31.701 32.500 -0.068 0.000 0.766 257 K HN -0.206 8.230 8.250 -0.140 -0.270 0.474 258 N N -1.504 117.002 118.700 -0.323 0.000 2.230 258 N HA 0.204 4.769 4.740 -0.292 0.000 0.202 258 N C 0.412 175.697 175.510 -0.376 0.000 1.119 258 N CA 0.086 52.863 53.050 -0.454 0.000 0.851 258 N CB 0.247 38.083 38.487 -1.084 0.000 0.990 258 N HN -0.310 7.797 8.380 -0.376 0.048 0.497 259 K N 1.483 121.725 120.400 -0.263 0.000 2.152 259 K HA -0.250 3.931 4.320 -0.231 0.000 0.206 259 K C 0.347 176.873 176.600 -0.123 0.000 1.048 259 K CA 2.190 58.360 56.287 -0.195 0.000 0.933 259 K CB -0.171 32.243 32.500 -0.143 0.000 0.721 259 K HN -0.778 7.277 8.250 -0.230 0.057 0.447 260 D N -2.627 117.719 120.400 -0.089 0.000 2.342 260 D HA 0.115 4.736 4.640 -0.033 0.000 0.221 260 D C -0.186 176.111 176.300 -0.005 0.000 1.101 260 D CA -0.015 53.962 54.000 -0.038 0.000 0.837 260 D CB -0.484 40.299 40.800 -0.028 0.000 0.938 260 D HN 0.226 8.515 8.370 -0.097 0.023 0.508 261 K N 0.478 120.879 120.400 0.003 0.000 2.123 261 K HA 0.123 4.490 4.320 0.077 0.000 0.259 261 K C -0.510 176.184 176.600 0.158 0.000 0.960 261 K CA -0.820 55.522 56.287 0.092 0.000 0.872 261 K CB 1.122 33.725 32.500 0.171 0.000 1.079 261 K HN -0.520 7.639 8.250 -0.047 0.063 0.440 262 E N 1.177 121.471 120.200 0.157 0.000 2.414 262 E HA -0.086 4.358 4.350 0.158 0.000 0.263 262 E C -0.412 176.350 176.600 0.272 0.000 1.000 262 E CA -0.251 56.255 56.400 0.177 0.000 0.914 262 E CB 0.315 30.108 29.700 0.155 0.000 0.948 262 E HN 0.016 8.449 8.360 0.122 0.000 0.444 263 D N 2.959 123.525 120.400 0.276 0.000 2.458 263 D HA -0.155 4.813 4.640 0.546 0.000 0.243 263 D C 1.908 178.303 176.300 0.158 0.000 1.146 263 D CA 0.581 54.779 54.000 0.329 0.000 0.877 263 D CB 0.652 41.620 40.800 0.279 0.000 1.176 263 D HN 0.173 8.677 8.370 0.224 0.000 0.461 264 V N 8.001 127.843 119.914 -0.120 0.000 2.427 264 V HA -0.146 3.975 4.120 0.001 0.000 0.248 264 V C 1.662 177.814 176.094 0.097 0.000 1.051 264 V CA 1.748 63.944 62.300 -0.174 0.000 1.048 264 V CB -0.163 31.312 31.823 -0.579 0.000 0.666 264 V HN 0.510 nan 8.190 nan 0.000 0.456 265 A N -0.445 122.397 122.820 0.037 0.000 1.930 265 A HA -0.322 3.985 4.320 -0.023 0.000 0.217 265 A C 1.494 179.157 177.584 0.131 0.000 1.175 265 A CA 2.834 54.859 52.037 -0.020 0.000 0.627 265 A CB -0.331 18.493 19.000 -0.293 0.000 0.815 265 A HN 0.029 8.351 8.150 0.073 -0.128 0.443 266 D N -0.999 119.479 120.400 0.129 0.000 2.144 266 D HA -0.213 4.472 4.640 0.074 0.000 0.200 266 D C 1.744 178.125 176.300 0.135 0.000 0.978 266 D CA 2.858 56.926 54.000 0.114 0.000 0.833 266 D CB -0.350 40.515 40.800 0.109 0.000 0.961 266 D HN -0.573 8.130 8.370 0.133 -0.253 0.470 267 W N 1.963 123.271 121.300 0.012 0.000 2.358 267 W HA -0.392 4.254 4.660 -0.022 0.000 0.303 267 W C 1.146 177.650 176.519 -0.025 0.000 1.208 267 W CA 3.929 61.270 57.345 -0.006 0.000 1.274 267 W CB -0.017 29.445 29.460 0.003 0.000 1.138 267 W HN -0.152 8.166 8.180 0.364 0.081 0.515 268 F N 0.430 120.411 119.950 0.051 0.000 2.091 268 F HA -0.561 3.774 4.527 -0.320 0.000 0.299 268 F C 1.434 177.038 175.800 -0.326 0.000 1.103 268 F CA 3.956 61.852 58.000 -0.173 0.000 1.228 268 F CB -0.144 38.859 39.000 0.005 0.000 0.984 268 F HN -0.364 8.220 8.300 0.473 0.000 0.477 269 I N -0.708 119.567 120.570 -0.493 0.000 2.179 269 I HA -0.578 3.042 4.170 -0.916 0.000 0.242 269 I C 2.081 177.862 176.117 -0.561 0.000 1.088 269 I CA 3.662 64.605 61.300 -0.596 0.000 1.357 269 I CB -0.198 37.671 38.000 -0.218 0.000 1.051 269 I HN -0.768 7.377 8.210 -0.110 0.000 0.409 270 K N -0.124 120.033 120.400 -0.405 0.000 2.063 270 K HA -0.434 3.718 4.320 -0.279 0.000 0.208 270 K C 2.459 178.773 176.600 -0.477 0.000 1.048 270 K CA 3.708 59.783 56.287 -0.354 0.000 0.928 270 K CB -0.224 32.132 32.500 -0.240 0.000 0.713 270 K HN -0.576 7.486 8.250 -0.314 0.000 0.442 271 E N -1.946 117.820 120.200 -0.723 0.000 2.152 271 E HA -0.201 3.817 4.350 -0.553 0.000 0.192 271 E C 2.690 178.928 176.600 -0.602 0.000 0.983 271 E CA 2.547 58.508 56.400 -0.732 0.000 0.818 271 E CB -0.289 28.717 29.700 -1.157 0.000 0.758 271 E HN -0.115 7.729 8.360 -0.860 0.000 0.467 272 S N 0.978 116.176 115.700 -0.837 0.000 2.368 272 S HA -0.259 3.714 4.470 -0.828 0.000 0.224 272 S C 1.984 176.342 174.600 -0.403 0.000 1.029 272 S CA 3.575 61.236 58.200 -0.900 0.000 0.988 272 S CB -0.727 61.506 63.200 -1.612 0.000 0.838 272 S HN -0.191 7.512 8.310 -1.012 0.000 0.462 273 L N 1.668 122.660 121.223 -0.385 0.000 2.083 273 L HA -0.321 3.926 4.340 -0.155 0.000 0.209 273 L C 2.369 179.159 176.870 -0.134 0.000 1.083 273 L CA 2.731 57.447 54.840 -0.207 0.000 0.752 273 L CB -0.678 41.260 42.059 -0.203 0.000 0.899 273 L HN -0.294 7.652 8.230 -0.474 0.000 0.433 274 R N -1.072 119.327 120.500 -0.168 0.000 2.092 274 R HA -0.294 3.993 4.340 -0.089 0.000 0.231 274 R C 2.155 178.421 176.300 -0.057 0.000 1.119 274 R CA 2.956 58.990 56.100 -0.110 0.000 0.970 274 R CB -0.153 30.066 30.300 -0.134 0.000 0.864 274 R HN -0.526 7.602 8.270 -0.236 0.000 0.440 275 R N -3.542 116.940 120.500 -0.030 0.000 2.119 275 R HA -0.145 4.204 4.340 0.015 0.000 0.222 275 R C 0.752 177.085 176.300 0.055 0.000 1.088 275 R CA 2.044 58.170 56.100 0.043 0.000 0.984 275 R CB 0.804 31.187 30.300 0.138 0.000 0.884 275 R HN -0.693 7.541 8.270 -0.061 0.000 0.447 276 R N -3.064 117.487 120.500 0.085 0.000 2.585 276 R HA 0.606 4.963 4.340 0.028 0.000 0.278 276 R C -1.936 174.381 176.300 0.028 0.000 1.663 276 R CA -3.339 52.801 56.100 0.066 0.000 1.592 276 R CB -0.173 30.208 30.300 0.134 0.000 1.200 276 R HN -0.432 7.890 8.270 0.087 0.000 0.611 277 P HA 0.162 4.717 4.420 -0.034 -0.155 0.233 277 P C 0.108 177.399 177.300 -0.014 0.000 1.167 277 P CA 1.118 64.206 63.100 -0.020 0.000 0.770 277 P CB 0.241 31.927 31.700 -0.024 0.000 0.837 278 E N -2.420 117.780 120.200 -0.000 0.000 2.347 278 E HA -0.190 4.157 4.350 -0.004 0.000 0.196 278 E C -0.257 176.348 176.600 0.008 0.000 1.008 278 E CA 0.317 56.719 56.400 0.004 0.000 0.852 278 E CB -0.443 29.263 29.700 0.009 0.000 0.783 278 E HN 0.056 8.391 8.360 0.005 0.029 0.505 279 L N 0.950 122.180 121.223 0.011 0.000 2.331 279 L HA 0.008 4.356 4.340 0.013 0.000 0.278 279 L C -0.609 176.239 176.870 -0.037 0.000 1.106 279 L CA -0.273 54.566 54.840 -0.003 0.000 0.824 279 L CB 0.699 42.753 42.059 -0.007 0.000 1.142 279 L HN -0.688 7.502 8.230 0.013 0.048 0.443 280 S N 4.641 120.321 115.700 -0.034 0.000 2.601 280 S HA 0.208 4.650 4.470 -0.047 0.000 0.271 280 S C 1.139 175.703 174.600 -0.060 0.000 1.305 280 S CA -0.222 57.953 58.200 -0.042 0.000 1.022 280 S CB 1.309 64.495 63.200 -0.024 0.000 0.940 280 S HN 0.358 8.656 8.310 -0.021 0.000 0.525 281 T N 0.077 114.593 114.554 -0.064 0.000 3.113 281 T HA -0.221 4.074 4.350 -0.092 0.000 0.263 281 T C 0.010 174.690 174.700 -0.033 0.000 1.143 281 T CA 1.768 63.828 62.100 -0.067 0.000 1.090 281 T CB -0.534 68.293 68.868 -0.067 0.000 0.922 281 T HN 0.411 8.616 8.240 -0.059 0.000 0.521 282 N N 0.298 118.985 118.700 -0.022 0.000 2.204 282 N HA 0.107 4.849 4.740 0.002 0.000 0.219 282 N C -0.401 175.110 175.510 0.001 0.000 1.151 282 N CA -1.307 51.741 53.050 -0.004 0.000 0.867 282 N CB -0.092 38.395 38.487 -0.001 0.000 1.043 282 N HN -0.582 7.738 8.380 -0.024 0.045 0.516 283 T N 4.108 118.657 114.554 -0.008 0.000 2.780 283 T HA -0.074 4.283 4.350 0.012 0.000 0.294 283 T C -0.638 174.068 174.700 0.009 0.000 0.949 283 T CA 0.864 62.965 62.100 0.002 0.000 1.074 283 T CB 0.784 69.650 68.868 -0.003 0.000 0.910 283 T HN -0.661 7.566 8.240 -0.022 0.000 0.501 284 K N 6.886 127.305 120.400 0.033 0.000 2.350 284 K HA -0.085 4.433 4.320 0.062 -0.161 0.279 284 K C -0.604 176.037 176.600 0.068 0.000 1.027 284 K CA 0.008 56.328 56.287 0.055 0.000 0.969 284 K CB 0.100 32.636 32.500 0.061 0.000 0.954 284 K HN 0.401 8.672 8.250 0.035 0.000 0.474 285 I N -3.071 117.554 120.570 0.092 0.000 3.074 285 I HA 0.502 4.771 4.170 0.164 0.000 0.310 285 I C -2.264 173.983 176.117 0.217 0.000 1.153 285 I CA -2.623 58.761 61.300 0.140 0.000 0.993 285 I CB 4.158 42.145 38.000 -0.021 0.000 1.237 285 I HN 0.535 8.810 8.210 0.108 0.000 0.443 286 E N 2.166 122.513 120.200 0.244 0.000 2.313 286 E HA 0.412 5.030 4.350 0.142 -0.183 0.276 286 E C -1.525 175.172 176.600 0.161 0.000 1.031 286 E CA -0.697 55.811 56.400 0.180 0.000 0.857 286 E CB 1.410 31.194 29.700 0.139 0.000 1.040 286 E HN 0.379 8.900 8.360 0.269 0.000 0.408 287 V N 5.177 125.062 119.914 -0.048 0.000 2.680 287 V HA 0.661 4.603 4.120 -0.559 -0.156 0.309 287 V C -2.537 173.365 176.094 -0.319 0.000 1.052 287 V CA -2.593 59.437 62.300 -0.449 0.000 0.908 287 V CB 3.237 34.589 31.823 -0.785 0.000 1.001 287 V HN 0.372 8.558 8.190 -0.008 0.000 0.431 288 V N 5.405 125.091 119.914 -0.379 0.000 2.841 288 V HA 0.704 5.083 4.120 0.100 -0.199 0.310 288 V C -1.414 174.604 176.094 -0.128 0.000 1.090 288 V CA -1.957 60.301 62.300 -0.070 0.000 0.930 288 V CB 3.892 35.766 31.823 0.084 0.000 1.014 288 V HN 0.267 8.164 8.190 -0.489 0.000 0.425 289 W N 2.759 124.093 121.300 0.056 0.000 2.516 289 W HA 0.193 4.914 4.660 0.102 0.000 0.343 289 W C -0.998 175.636 176.519 0.191 0.000 1.094 289 W CA -0.690 56.721 57.345 0.110 0.000 1.250 289 W CB 2.964 32.487 29.460 0.106 0.000 1.308 289 W HN -0.346 8.188 8.180 0.590 0.000 0.588 290 N N 0.611 119.541 118.700 0.383 0.000 2.492 290 N HA 0.131 5.208 4.740 0.285 -0.166 0.260 290 N C -0.056 175.696 175.510 0.403 0.000 1.215 290 N CA 0.781 54.023 53.050 0.319 0.000 0.923 290 N CB 0.752 39.359 38.487 0.201 0.000 1.092 290 N HN -0.210 8.366 8.380 0.326 0.000 0.448 291 T N -3.375 111.414 114.554 0.392 0.000 2.864 291 T HA 0.847 5.528 4.350 0.294 -0.154 0.299 291 T C -1.979 172.919 174.700 0.331 0.000 1.166 291 T CA -2.058 60.226 62.100 0.307 0.000 1.007 291 T CB 3.584 72.564 68.868 0.186 0.000 1.219 291 T HN 0.289 8.778 8.240 0.414 0.000 0.506 292 F N -3.038 116.979 119.950 0.112 0.000 2.645 292 F HA 1.110 5.947 4.527 -0.126 -0.386 0.310 292 F C -3.104 172.737 175.800 0.069 0.000 1.102 292 F CA -2.199 55.795 58.000 -0.010 0.000 0.952 292 F CB 3.668 42.682 39.000 0.023 0.000 1.326 292 F HN -0.031 8.189 8.300 -0.135 0.000 0.456 293 Y N -5.912 114.347 120.300 -0.068 0.000 2.597 293 Y HA 0.906 5.576 4.550 -0.104 -0.182 0.340 293 Y C -2.307 173.641 175.900 0.082 0.000 1.097 293 Y CA -2.381 55.701 58.100 -0.029 0.000 1.037 293 Y CB 3.510 41.968 38.460 -0.003 0.000 1.305 293 Y HN 0.180 8.258 8.280 -0.337 0.000 0.463 294 K N -0.045 120.574 120.400 0.365 0.000 2.507 294 K HA 0.751 5.356 4.320 0.145 -0.198 0.251 294 K C -1.643 175.055 176.600 0.164 0.000 0.943 294 K CA -0.996 55.428 56.287 0.229 0.000 0.794 294 K CB 3.907 36.561 32.500 0.258 0.000 1.188 294 K HN 0.487 8.980 8.250 0.405 0.000 0.428 295 L N 2.112 123.350 121.223 0.025 0.000 2.362 295 L HA 0.991 5.442 4.340 -0.139 -0.195 0.271 295 L C -0.900 175.929 176.870 -0.068 0.000 1.002 295 L CA -2.007 52.715 54.840 -0.197 0.000 0.818 295 L CB 3.343 44.932 42.059 -0.783 0.000 1.298 295 L HN 0.585 8.834 8.230 0.033 0.000 0.420 296 G N -0.226 108.596 108.800 0.036 0.000 2.690 296 G HA2 0.699 4.835 3.960 0.293 0.000 0.291 296 G HA3 0.699 4.723 3.960 0.105 0.000 0.291 296 G C -2.760 172.369 174.900 0.381 0.000 1.403 296 G CA -0.408 44.823 45.100 0.218 0.000 0.864 296 G HN 0.369 8.671 8.290 0.020 0.000 0.480 297 K N -0.175 120.411 120.400 0.310 0.000 2.292 297 K HA 0.653 5.321 4.320 0.257 -0.194 0.257 297 K C -0.647 176.167 176.600 0.357 0.000 0.940 297 K CA -1.840 54.554 56.287 0.179 0.000 0.811 297 K CB 3.747 36.079 32.500 -0.280 0.000 1.120 297 K HN 0.111 8.490 8.250 0.216 0.000 0.428 298 R N 5.447 126.149 120.500 0.338 0.000 2.449 298 R HA -0.031 4.475 4.340 0.031 -0.147 0.296 298 R C 0.114 176.517 176.300 0.171 0.000 1.047 298 R CA 0.646 56.845 56.100 0.166 0.000 1.018 298 R CB 0.725 31.043 30.300 0.030 0.000 0.962 298 R HN 0.084 8.526 8.270 0.287 0.000 0.428 299 V N 0.000 120.007 119.914 0.155 0.000 2.409 299 V HA 0.000 4.223 4.120 0.171 0.000 0.244 299 V CA 0.000 62.389 62.300 0.149 0.000 1.235 299 V CB 0.000 31.877 31.823 0.090 0.000 1.184 299 V HN 0.000 8.118 8.190 0.058 0.107 0.556