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 2ku1_1_C DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AYDRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV DATA SEQUENCE LLISDKKVRS RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA DATA SEQUENCE QQEKVTYGSL VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP DATA SEQUENCE RLFDCDPAGT INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA DATA SEQUENCE LKSSLEEGEE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 174.900 174.900 -0.001 0.000 0.946 -3 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 -2 A N 1.482 124.302 122.820 -0.001 0.000 2.520 -2 A HA 0.443 4.762 4.320 -0.001 0.000 0.298 -2 A C -1.112 176.471 177.584 -0.001 0.000 1.051 -2 A CA -0.170 51.867 52.037 -0.001 0.000 0.690 -2 A CB 1.514 20.514 19.000 -0.001 0.000 1.281 -2 A HN -0.281 7.868 8.150 -0.001 0.000 0.402 -1 M N 1.513 121.112 119.600 -0.002 0.000 2.535 -1 M HA 0.409 4.887 4.480 -0.002 0.000 0.314 -1 M C -0.519 175.780 176.300 -0.003 0.000 1.153 -1 M CA -0.216 55.083 55.300 -0.002 0.000 0.924 -1 M CB 1.553 34.151 32.600 -0.003 0.000 1.710 -1 M HN 0.109 8.398 8.290 -0.002 0.000 0.451 0 G N 1.278 110.076 108.800 -0.003 0.000 2.550 0 G HA2 0.269 4.227 3.960 -0.004 0.000 0.293 0 G HA3 0.269 4.228 3.960 -0.003 0.000 0.293 0 G C -1.771 173.126 174.900 -0.004 0.000 1.402 0 G CA -0.047 45.051 45.100 -0.003 0.000 0.784 0 G HN -0.092 8.196 8.290 -0.003 0.000 0.482 1 M N 1.455 121.052 119.600 -0.004 0.000 3.213 1 M HA 0.031 4.507 4.480 -0.006 0.000 0.275 1 M C 0.038 176.335 176.300 -0.004 0.000 1.424 1 M CA 0.103 55.400 55.300 -0.005 0.000 1.561 1 M CB -0.981 31.615 32.600 -0.006 0.000 1.109 1 M HN 0.260 8.547 8.290 -0.004 0.000 0.552 2 Q N 0.405 120.202 119.800 -0.003 0.000 2.119 2 Q HA -0.189 4.151 4.340 -0.001 0.000 0.201 2 Q C 0.649 176.648 176.000 -0.002 0.000 0.972 2 Q CA 1.336 57.138 55.803 -0.002 0.000 0.847 2 Q CB 0.362 29.100 28.738 -0.001 0.000 0.903 2 Q HN -0.056 8.173 8.270 -0.004 0.038 0.433 3 Q N -0.881 118.916 119.800 -0.005 0.000 2.347 3 Q HA 0.118 4.456 4.340 -0.003 0.000 0.262 3 Q C 0.175 176.169 176.000 -0.009 0.000 0.980 3 Q CA -1.142 54.657 55.803 -0.006 0.000 0.867 3 Q CB 0.541 29.274 28.738 -0.010 0.000 1.242 3 Q HN -0.251 8.015 8.270 -0.006 0.000 0.453 4 G N 3.485 112.282 108.800 -0.006 0.000 2.418 4 G HA2 -0.178 3.777 3.960 -0.008 0.000 0.217 4 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.217 4 G C -0.771 174.119 174.900 -0.015 0.000 1.158 4 G CA 0.648 45.744 45.100 -0.007 0.000 0.771 4 G HN 0.491 8.780 8.290 -0.002 0.000 0.545 5 Q N -1.590 118.198 119.800 -0.021 0.000 2.451 5 Q HA 0.196 4.508 4.340 -0.046 0.000 0.281 5 Q C -1.600 174.361 176.000 -0.067 0.000 1.099 5 Q CA -1.274 54.502 55.803 -0.044 0.000 0.806 5 Q CB 2.781 31.495 28.738 -0.040 0.000 1.419 5 Q HN -0.501 7.761 8.270 -0.014 0.000 0.427 6 M N 2.311 121.848 119.600 -0.106 0.000 2.180 6 M HA 0.161 4.596 4.480 -0.076 0.000 0.358 6 M C -0.381 175.797 176.300 -0.204 0.000 1.233 6 M CA -0.409 54.819 55.300 -0.119 0.000 1.114 6 M CB 0.592 33.129 32.600 -0.106 0.000 1.594 6 M HN 0.163 8.386 8.290 -0.113 0.000 0.467 7 A N 5.831 128.580 122.820 -0.119 0.000 2.466 7 A HA -0.107 4.163 4.320 -0.084 0.000 0.238 7 A C -1.107 176.399 177.584 -0.132 0.000 1.074 7 A CA -0.038 51.948 52.037 -0.085 0.000 0.774 7 A CB 0.447 19.460 19.000 0.021 0.000 1.015 7 A HN 0.073 8.183 8.150 -0.067 0.000 0.498 8 Y N -0.194 120.127 120.300 0.034 0.000 2.465 8 Y HA -0.153 4.428 4.550 0.052 0.000 0.331 8 Y C 0.270 176.187 175.900 0.029 0.000 1.102 8 Y CA 0.857 58.981 58.100 0.039 0.000 1.358 8 Y CB 0.129 38.611 38.460 0.036 0.000 1.213 8 Y HN 0.146 8.629 8.280 0.338 0.000 0.525 9 D N 2.658 123.143 120.400 0.140 0.000 2.589 9 D HA -0.004 4.686 4.640 0.082 0.000 0.262 9 D C 0.315 176.671 176.300 0.095 0.000 1.410 9 D CA 0.688 54.742 54.000 0.091 0.000 1.044 9 D CB 0.125 40.955 40.800 0.050 0.000 1.016 9 D HN 0.407 8.849 8.370 0.119 0.000 0.349 10 R N -0.224 120.324 120.500 0.080 0.000 1.222 10 R HA 0.284 4.661 4.340 0.060 0.000 0.089 10 R C -0.881 175.473 176.300 0.089 0.000 1.314 10 R CA 0.357 56.498 56.100 0.068 0.000 2.025 10 R CB 0.649 30.976 30.300 0.044 0.000 0.991 10 R HN 0.012 8.324 8.270 0.070 0.000 0.686 11 A N -3.930 118.932 122.820 0.070 0.000 2.509 11 A HA -0.006 4.380 4.320 0.109 0.000 0.169 11 A C -1.304 176.298 177.584 0.030 0.000 1.956 11 A CA 0.017 52.099 52.037 0.075 0.000 1.166 11 A CB 0.764 19.815 19.000 0.084 0.000 1.180 11 A HN -0.035 8.144 8.150 0.049 0.000 0.406 12 I N 1.402 121.981 120.570 0.015 0.000 2.312 12 I HA 0.002 4.161 4.170 -0.019 0.000 0.291 12 I C 0.023 176.116 176.117 -0.039 0.000 1.031 12 I CA 0.511 61.804 61.300 -0.012 0.000 1.293 12 I CB -0.453 37.545 38.000 -0.002 0.000 1.403 12 I HN -0.393 7.832 8.210 0.025 0.000 0.484 13 T N 6.259 120.761 114.554 -0.086 0.000 4.458 13 T HA -0.310 3.923 4.350 -0.194 0.000 0.317 13 T C -1.618 173.004 174.700 -0.129 0.000 0.916 13 T CA 0.948 62.968 62.100 -0.133 0.000 2.068 13 T CB -0.515 68.294 68.868 -0.097 0.000 1.908 13 T HN 0.367 8.551 8.240 -0.092 0.000 0.934 14 V N 1.648 121.496 119.914 -0.110 0.000 2.384 14 V HA 0.107 4.223 4.120 -0.007 0.000 0.287 14 V C -0.569 175.482 176.094 -0.071 0.000 1.020 14 V CA -1.420 60.858 62.300 -0.038 0.000 0.850 14 V CB 0.382 32.233 31.823 0.046 0.000 0.987 14 V HN -0.699 7.402 8.190 -0.104 0.026 0.436 15 F N 8.566 128.512 119.950 -0.007 0.000 2.429 15 F HA -0.022 4.604 4.527 -0.061 -0.135 0.348 15 F C 0.725 176.531 175.800 0.010 0.000 1.109 15 F CA 0.312 58.293 58.000 -0.031 0.000 1.232 15 F CB 1.091 40.062 39.000 -0.048 0.000 1.157 15 F HN 0.249 8.651 8.300 0.169 0.000 0.564 16 S N 3.659 119.493 115.700 0.222 0.000 2.614 16 S HA 0.292 4.987 4.470 0.375 0.000 0.265 16 S C -0.496 174.206 174.600 0.171 0.000 1.303 16 S CA -1.416 56.946 58.200 0.270 0.000 1.000 16 S CB 0.013 63.349 63.200 0.227 0.000 0.935 16 S HN 0.582 8.935 8.310 0.150 0.047 0.551 17 P HA -0.111 4.315 4.420 0.010 0.000 0.226 17 P C -1.458 175.873 177.300 0.051 0.000 1.146 17 P CA 1.917 65.046 63.100 0.049 0.000 0.773 17 P CB -0.271 31.441 31.700 0.021 0.000 0.772 18 D N -5.496 114.952 120.400 0.081 0.000 2.368 18 D HA -0.069 4.584 4.640 0.022 0.000 0.218 18 D C 0.640 176.937 176.300 -0.006 0.000 1.112 18 D CA -0.648 53.374 54.000 0.037 0.000 0.834 18 D CB -1.152 39.686 40.800 0.063 0.000 0.953 18 D HN -0.492 7.886 8.370 0.127 0.068 0.505 19 G N 1.447 110.250 108.800 0.005 0.000 2.289 19 G HA2 -0.526 3.406 3.960 -0.047 0.000 0.280 19 G HA3 -0.526 3.360 3.960 -0.124 0.000 0.280 19 G C -1.451 173.527 174.900 0.131 0.000 1.089 19 G CA 0.518 45.610 45.100 -0.014 0.000 0.939 19 G HN 0.276 8.395 8.290 0.038 0.195 0.499 20 R N -2.013 118.544 120.500 0.095 0.000 2.744 20 R HA 0.297 4.638 4.340 0.002 0.000 0.279 20 R C -1.890 174.242 176.300 -0.280 0.000 0.977 20 R CA -1.745 54.274 56.100 -0.136 0.000 0.906 20 R CB 3.503 33.524 30.300 -0.465 0.000 1.197 20 R HN -0.008 8.365 8.270 0.057 -0.068 0.463 21 L N 3.188 124.221 121.223 -0.317 0.000 2.288 21 L HA 0.302 4.407 4.340 -0.391 0.000 0.283 21 L C 0.444 177.103 176.870 -0.352 0.000 1.072 21 L CA -2.440 52.177 54.840 -0.372 0.000 0.862 21 L CB -2.054 39.793 42.059 -0.353 0.000 1.245 21 L HN 0.749 8.845 8.230 -0.224 0.000 0.432 22 F N 5.504 125.302 119.950 -0.254 0.000 2.126 22 F HA -0.482 3.791 4.527 -0.423 0.000 0.299 22 F C 1.647 177.002 175.800 -0.741 0.000 1.096 22 F CA 4.411 62.115 58.000 -0.495 0.000 1.255 22 F CB -0.165 38.538 39.000 -0.496 0.000 0.997 22 F HN -0.024 8.140 8.300 -0.227 0.000 0.479 23 Q N -0.949 118.684 119.800 -0.279 0.000 2.077 23 Q HA -0.400 3.825 4.340 -0.192 0.000 0.206 23 Q C 2.699 178.639 176.000 -0.100 0.000 0.989 23 Q CA 3.380 59.075 55.803 -0.180 0.000 0.853 23 Q CB -1.072 27.630 28.738 -0.059 0.000 0.907 23 Q HN 0.190 8.362 8.270 -0.164 0.000 0.418 24 V N -0.546 119.308 119.914 -0.100 0.000 2.490 24 V HA -0.450 3.672 4.120 0.003 0.000 0.250 24 V C 1.478 177.563 176.094 -0.016 0.000 1.061 24 V CA 3.553 65.829 62.300 -0.040 0.000 1.064 24 V CB -0.227 31.563 31.823 -0.055 0.000 0.670 24 V HN -0.321 7.784 8.190 -0.142 0.000 0.461 25 E N 0.435 120.594 120.200 -0.068 0.000 2.031 25 E HA -0.341 4.030 4.350 0.036 0.000 0.193 25 E C 2.778 179.478 176.600 0.166 0.000 0.994 25 E CA 3.103 59.515 56.400 0.019 0.000 0.800 25 E CB -0.586 29.121 29.700 0.012 0.000 0.752 25 E HN -0.592 7.561 8.360 -0.155 0.113 0.447 26 Y N -0.972 119.386 120.300 0.096 0.000 2.165 26 Y HA -0.378 4.208 4.550 0.060 0.000 0.286 26 Y C 2.187 178.113 175.900 0.042 0.000 1.155 26 Y CA 0.636 58.774 58.100 0.063 0.000 1.164 26 Y CB -1.447 37.044 38.460 0.053 0.000 0.978 26 Y HN 0.241 8.408 8.280 -0.188 0.000 0.513 27 A N -1.330 121.604 122.820 0.191 0.000 1.884 27 A HA -0.503 3.883 4.320 0.109 0.000 0.219 27 A C 1.851 179.492 177.584 0.095 0.000 1.197 27 A CA 3.187 55.293 52.037 0.115 0.000 0.637 27 A CB -0.771 18.278 19.000 0.081 0.000 0.827 27 A HN 0.467 8.714 8.150 0.166 0.003 0.450 28 R N -4.145 116.410 120.500 0.092 0.000 2.139 28 R HA -0.418 3.957 4.340 0.058 0.000 0.243 28 R C 2.603 178.946 176.300 0.073 0.000 1.145 28 R CA 3.273 59.417 56.100 0.074 0.000 0.976 28 R CB -0.487 29.855 30.300 0.070 0.000 0.866 28 R HN -0.296 7.960 8.270 0.093 0.070 0.449 29 E N -1.235 119.024 120.200 0.098 0.000 2.058 29 E HA -0.285 4.103 4.350 0.064 0.000 0.194 29 E C 1.888 178.515 176.600 0.045 0.000 0.997 29 E CA 2.633 59.077 56.400 0.073 0.000 0.801 29 E CB -0.747 29.002 29.700 0.081 0.000 0.746 29 E HN -0.278 8.042 8.360 0.137 0.122 0.450 30 A N -1.580 121.269 122.820 0.049 0.000 1.917 30 A HA -0.179 4.153 4.320 0.020 0.000 0.219 30 A C 2.784 180.381 177.584 0.021 0.000 1.182 30 A CA 2.838 54.894 52.037 0.030 0.000 0.633 30 A CB -0.901 18.121 19.000 0.036 0.000 0.819 30 A HN -0.352 7.762 8.150 0.070 0.078 0.448 31 V N -5.129 114.800 119.914 0.026 0.000 2.809 31 V HA -0.373 3.751 4.120 0.007 0.000 0.256 31 V C 0.818 176.916 176.094 0.007 0.000 1.080 31 V CA 2.840 65.148 62.300 0.013 0.000 1.102 31 V CB -0.061 31.771 31.823 0.015 0.000 0.705 31 V HN -0.691 7.414 8.190 0.038 0.108 0.475 32 K N 0.127 120.536 120.400 0.014 0.000 2.148 32 K HA -0.213 4.110 4.320 0.005 0.000 0.204 32 K C 1.843 178.445 176.600 0.003 0.000 1.050 32 K CA 3.098 59.391 56.287 0.010 0.000 0.942 32 K CB -0.126 32.385 32.500 0.018 0.000 0.724 32 K HN -0.501 7.625 8.250 0.023 0.138 0.446 33 K N -4.076 116.326 120.400 0.003 0.000 2.487 33 K HA -0.071 4.247 4.320 -0.003 0.000 0.192 33 K C 0.555 177.151 176.600 -0.007 0.000 1.027 33 K CA 0.060 56.346 56.287 -0.002 0.000 1.054 33 K CB -0.283 32.216 32.500 -0.002 0.000 0.824 33 K HN -0.772 7.463 8.250 0.008 0.019 0.510 34 G N -0.574 108.221 108.800 -0.009 0.000 2.522 34 G HA2 0.151 4.103 3.960 -0.014 0.000 0.304 34 G HA3 0.151 4.101 3.960 -0.017 0.000 0.304 34 G C -1.489 173.399 174.900 -0.020 0.000 1.210 34 G CA -1.893 43.198 45.100 -0.015 0.000 0.960 34 G HN -0.757 7.335 8.290 -0.007 0.193 0.497 35 S N -2.160 113.525 115.700 -0.026 0.000 2.580 35 S HA -0.123 4.331 4.470 -0.025 0.000 0.266 35 S C -0.303 174.275 174.600 -0.037 0.000 1.354 35 S CA 0.299 58.481 58.200 -0.030 0.000 1.008 35 S CB 0.650 63.830 63.200 -0.033 0.000 0.898 35 S HN 0.209 8.503 8.310 -0.026 0.000 0.555 36 T N 2.312 116.842 114.554 -0.039 0.000 2.837 36 T HA 0.457 4.939 4.350 -0.048 -0.161 0.285 36 T C -1.720 172.944 174.700 -0.060 0.000 0.984 36 T CA -0.255 61.817 62.100 -0.047 0.000 1.049 36 T CB 1.209 70.053 68.868 -0.040 0.000 0.947 36 T HN 0.214 8.433 8.240 -0.036 0.000 0.472 37 A N 6.877 129.654 122.820 -0.072 0.000 2.606 37 A HA 0.853 5.204 4.320 -0.084 -0.081 0.293 37 A C -3.108 174.418 177.584 -0.097 0.000 1.082 37 A CA -1.156 50.830 52.037 -0.085 0.000 0.685 37 A CB 3.296 22.244 19.000 -0.088 0.000 1.284 37 A HN 0.887 8.994 8.150 -0.072 0.000 0.408 38 L N -6.070 115.092 121.223 -0.101 0.000 2.510 38 L HA 0.572 4.886 4.340 -0.128 -0.050 0.252 38 L C -2.120 174.694 176.870 -0.093 0.000 1.091 38 L CA -1.364 53.409 54.840 -0.111 0.000 0.888 38 L CB 3.218 45.210 42.059 -0.113 0.000 1.507 38 L HN 0.887 9.059 8.230 -0.098 0.000 0.407 39 G N -4.484 104.261 108.800 -0.090 0.000 2.703 39 G HA2 0.821 4.908 3.960 -0.022 0.000 0.294 39 G HA3 0.821 4.763 3.960 -0.031 0.000 0.294 39 G C -3.294 171.581 174.900 -0.042 0.000 1.451 39 G CA 0.400 45.474 45.100 -0.043 0.000 0.869 39 G HN 0.406 8.624 8.290 -0.119 0.000 0.516 40 M N -3.615 116.000 119.600 0.024 0.000 2.414 40 M HA 0.430 4.881 4.480 -0.050 0.000 0.287 40 M C -1.979 174.393 176.300 0.120 0.000 1.181 40 M CA -0.161 55.162 55.300 0.038 0.000 0.933 40 M CB 4.233 36.888 32.600 0.092 0.000 1.732 40 M HN 0.336 8.665 8.290 0.065 0.000 0.486 41 K N 1.303 121.751 120.400 0.080 0.000 2.258 41 K HA 0.223 4.563 4.320 -0.139 -0.103 0.264 41 K C -0.179 176.538 176.600 0.194 0.000 1.007 41 K CA 1.120 57.418 56.287 0.017 0.000 0.941 41 K CB 1.088 33.594 32.500 0.009 0.000 0.966 41 K HN 0.053 8.327 8.250 0.041 0.000 0.480 42 F N -2.289 117.721 119.950 0.100 0.000 3.084 42 F HA 0.594 5.184 4.527 0.106 0.000 0.336 42 F C 0.646 176.477 175.800 0.052 0.000 1.230 42 F CA -2.666 55.384 58.000 0.084 0.000 0.993 42 F CB 1.086 40.124 39.000 0.064 0.000 1.496 42 F HN 0.576 8.481 8.300 -0.489 0.102 0.522 43 A N 2.441 125.581 122.820 0.533 0.000 1.997 43 A HA -0.403 4.029 4.320 0.185 0.000 0.237 43 A C -0.156 177.519 177.584 0.152 0.000 1.807 43 A CA 2.918 55.140 52.037 0.308 0.000 0.863 43 A CB -0.330 18.862 19.000 0.320 0.000 0.821 43 A HN 0.277 8.783 8.150 0.593 0.000 0.500 44 N N -0.345 118.441 118.700 0.143 0.000 2.571 44 N HA 0.066 4.783 4.740 -0.038 0.000 0.298 44 N C -1.387 174.015 175.510 -0.180 0.000 1.671 44 N CA -0.878 52.166 53.050 -0.010 0.000 0.900 44 N CB 0.746 39.264 38.487 0.052 0.000 1.365 44 N HN 0.046 8.644 8.380 0.363 0.000 0.493 45 G N -1.649 106.784 108.800 -0.612 0.000 2.500 45 G HA2 0.611 4.306 3.960 -0.442 0.000 0.299 45 G HA3 0.611 4.257 3.960 -0.784 -0.156 0.299 45 G C -3.650 170.473 174.900 -1.294 0.000 1.242 45 G CA 0.650 45.251 45.100 -0.832 0.000 0.859 45 G HN -0.690 7.163 8.290 -0.728 0.000 0.481 46 V N -1.335 117.968 119.914 -1.018 0.000 3.178 46 V HA 0.864 4.769 4.120 -0.576 -0.130 0.302 46 V C -2.949 173.140 176.094 -0.008 0.000 1.262 46 V CA -2.716 59.283 62.300 -0.502 0.000 1.030 46 V CB 4.201 35.914 31.823 -0.183 0.000 1.074 46 V HN 0.037 7.803 8.190 -0.707 0.000 0.438 47 L N 0.130 121.497 121.223 0.239 0.000 2.376 47 L HA 0.849 5.438 4.340 0.259 -0.093 0.258 47 L C -2.943 173.996 176.870 0.116 0.000 1.013 47 L CA -1.616 53.376 54.840 0.253 0.000 0.822 47 L CB 3.637 45.857 42.059 0.270 0.000 1.388 47 L HN 0.245 8.604 8.230 0.216 0.000 0.413 48 L N 0.010 121.273 121.223 0.067 0.000 2.354 48 L HA 0.839 5.312 4.340 -0.010 -0.139 0.269 48 L C -1.986 174.831 176.870 -0.088 0.000 1.005 48 L CA -1.208 53.630 54.840 -0.003 0.000 0.819 48 L CB 4.762 46.828 42.059 0.012 0.000 1.311 48 L HN 0.674 8.954 8.230 0.083 0.000 0.423 49 I N 3.005 123.514 120.570 -0.102 0.000 2.680 49 I HA 0.891 5.193 4.170 -0.147 -0.221 0.291 49 I C -3.046 173.006 176.117 -0.107 0.000 1.244 49 I CA -1.211 60.009 61.300 -0.133 0.000 1.042 49 I CB 4.367 42.267 38.000 -0.167 0.000 1.277 49 I HN 0.761 8.919 8.210 -0.086 0.000 0.423 50 S N 7.069 122.710 115.700 -0.099 0.000 2.548 50 S HA 0.427 4.847 4.470 -0.083 0.000 0.286 50 S C -2.047 172.512 174.600 -0.069 0.000 1.098 50 S CA -1.817 56.334 58.200 -0.082 0.000 0.930 50 S CB 2.602 65.755 63.200 -0.079 0.000 1.070 50 S HN 1.039 9.178 8.310 -0.104 0.108 0.480 51 D N 5.393 125.758 120.400 -0.059 0.000 2.336 51 D HA 0.126 4.739 4.640 -0.046 0.000 0.249 51 D C -1.038 175.239 176.300 -0.038 0.000 1.213 51 D CA -0.366 53.607 54.000 -0.046 0.000 0.870 51 D CB 0.809 41.585 40.800 -0.040 0.000 1.076 51 D HN 0.373 8.707 8.370 -0.060 0.000 0.483 52 K N 8.059 128.440 120.400 -0.033 0.000 2.206 52 K HA 0.036 4.339 4.320 -0.029 0.000 0.268 52 K C -1.455 175.134 176.600 -0.019 0.000 1.111 52 K CA -0.510 55.761 56.287 -0.026 0.000 0.955 52 K CB -0.113 32.373 32.500 -0.023 0.000 1.406 52 K HN -0.362 7.868 8.250 -0.033 0.000 0.427 53 K N 6.014 126.403 120.400 -0.018 0.000 2.267 53 K HA 0.052 4.365 4.320 -0.011 0.000 0.282 53 K C -0.685 175.908 176.600 -0.011 0.000 1.078 53 K CA -0.336 55.943 56.287 -0.013 0.000 0.903 53 K CB 0.555 33.047 32.500 -0.014 0.000 1.111 53 K HN -0.206 8.031 8.250 -0.022 0.000 0.475 54 V N 3.206 123.115 119.914 -0.008 0.000 2.713 54 V HA 0.071 4.186 4.120 -0.008 0.000 0.307 54 V C -1.130 174.961 176.094 -0.005 0.000 1.052 54 V CA -0.937 61.359 62.300 -0.007 0.000 0.967 54 V CB 1.228 33.048 31.823 -0.005 0.000 1.019 54 V HN 0.215 8.401 8.190 -0.007 0.000 0.459 55 R N 4.638 125.135 120.500 -0.005 0.000 1.747 55 R HA 0.107 4.445 4.340 -0.004 0.000 0.136 55 R C -0.314 175.984 176.300 -0.003 0.000 2.116 55 R CA 0.149 56.247 56.100 -0.004 0.000 1.739 55 R CB 0.212 30.509 30.300 -0.005 0.000 1.333 55 R HN 0.160 8.427 8.270 -0.005 0.000 0.480 56 S N -1.091 114.607 115.700 -0.003 0.000 2.584 56 S HA 0.127 4.596 4.470 -0.002 0.000 0.270 56 S C 1.736 176.335 174.600 -0.002 0.000 1.346 56 S CA -0.309 57.889 58.200 -0.002 0.000 1.018 56 S CB 0.652 63.851 63.200 -0.002 0.000 0.899 56 S HN -0.064 8.244 8.310 -0.004 0.000 0.542 57 R N 1.952 122.452 120.500 -0.001 0.000 2.193 57 R HA -0.093 4.247 4.340 0.000 0.000 0.213 57 R C 0.625 176.924 176.300 -0.000 0.000 1.055 57 R CA 1.289 57.389 56.100 -0.000 0.000 0.995 57 R CB -0.310 29.990 30.300 0.000 0.000 0.893 57 R HN 0.500 8.770 8.270 -0.001 0.000 0.459 58 L N -2.663 118.559 121.223 -0.001 0.000 2.622 58 L HA -0.044 4.296 4.340 -0.001 0.000 0.233 58 L C 0.212 177.081 176.870 -0.001 0.000 1.156 58 L CA 0.093 54.933 54.840 -0.001 0.000 0.866 58 L CB -0.671 41.388 42.059 -0.001 0.000 0.980 58 L HN -0.398 7.787 8.230 -0.001 0.044 0.448 59 I N -1.017 119.551 120.570 -0.002 0.000 2.532 59 I HA -0.042 4.127 4.170 -0.003 0.000 0.292 59 I C 1.088 177.204 176.117 -0.002 0.000 1.014 59 I CA -1.168 60.131 61.300 -0.002 0.000 1.340 59 I CB 0.265 38.263 38.000 -0.003 0.000 1.422 59 I HN -0.948 7.192 8.210 -0.002 0.070 0.528 60 E N 8.163 128.362 120.200 -0.002 0.000 2.773 60 E HA 0.002 4.351 4.350 -0.001 0.000 0.302 60 E C -0.159 176.440 176.600 -0.002 0.000 1.574 60 E CA -0.683 55.716 56.400 -0.001 0.000 1.775 60 E CB -2.028 27.671 29.700 -0.001 0.000 1.413 60 E HN 0.506 8.864 8.360 -0.003 0.000 0.471 61 Q N 0.607 120.406 119.800 -0.001 0.000 2.469 61 Q HA -0.682 3.657 4.340 -0.001 0.000 0.454 61 Q C 0.686 176.685 176.000 -0.003 0.000 0.582 61 Q CA 2.289 58.092 55.803 -0.001 0.000 0.966 61 Q CB -1.986 26.753 28.738 0.002 0.000 2.473 61 Q HN 0.231 8.403 8.270 -0.001 0.097 1.015 62 N N 1.635 120.335 118.700 -0.001 0.000 2.139 62 N HA -0.448 4.290 4.740 -0.003 0.000 0.199 62 N C 1.730 177.236 175.510 -0.007 0.000 1.003 62 N CA 2.769 55.818 53.050 -0.002 0.000 0.892 62 N CB -0.416 38.072 38.487 0.002 0.000 1.039 62 N HN 0.251 8.632 8.380 0.002 0.000 0.461 63 S N 0.510 116.206 115.700 -0.006 0.000 2.441 63 S HA -0.319 4.147 4.470 -0.008 0.000 0.242 63 S C 1.268 175.861 174.600 -0.011 0.000 1.018 63 S CA 2.925 61.121 58.200 -0.007 0.000 0.988 63 S CB 0.018 63.215 63.200 -0.005 0.000 0.778 63 S HN -0.406 7.871 8.310 -0.004 0.031 0.498 64 I N 1.356 121.919 120.570 -0.012 0.000 2.320 64 I HA -0.055 4.106 4.170 -0.016 0.000 0.283 64 I C -2.143 173.961 176.117 -0.022 0.000 1.086 64 I CA -1.490 59.801 61.300 -0.016 0.000 1.539 64 I CB -0.488 37.504 38.000 -0.014 0.000 1.504 64 I HN -0.459 7.702 8.210 -0.010 0.043 0.661 65 E N 3.894 124.080 120.200 -0.024 0.000 2.324 65 E HA -0.123 4.444 4.350 -0.032 -0.236 0.271 65 E C -0.622 175.952 176.600 -0.043 0.000 1.028 65 E CA 0.070 56.450 56.400 -0.033 0.000 0.890 65 E CB 0.136 29.815 29.700 -0.034 0.000 1.004 65 E HN -0.546 7.721 8.360 -0.021 0.080 0.431 66 K N 3.600 123.968 120.400 -0.052 0.000 2.244 66 K HA 0.050 4.335 4.320 -0.058 0.000 0.200 66 K C 0.420 176.970 176.600 -0.084 0.000 1.052 66 K CA 0.907 57.156 56.287 -0.063 0.000 0.980 66 K CB 1.332 33.796 32.500 -0.060 0.000 0.838 66 K HN 0.041 8.782 8.250 -0.050 -0.521 0.481 67 I N 0.242 120.757 120.570 -0.090 0.000 2.416 67 I HA -0.111 4.108 4.170 -0.130 -0.126 0.288 67 I C -0.593 175.450 176.117 -0.124 0.000 1.051 67 I CA 0.505 61.733 61.300 -0.119 0.000 1.375 67 I CB 0.288 38.214 38.000 -0.123 0.000 1.407 67 I HN -0.417 8.097 8.210 -0.079 -0.350 0.516 68 Q N 7.066 126.782 119.800 -0.139 0.000 2.356 68 Q HA 0.371 4.646 4.340 -0.108 0.000 0.270 68 Q C -1.479 174.434 176.000 -0.144 0.000 1.058 68 Q CA -2.006 53.725 55.803 -0.120 0.000 0.802 68 Q CB 4.025 32.713 28.738 -0.084 0.000 1.303 68 Q HN 0.842 8.914 8.270 -0.153 0.106 0.444 69 L N 3.265 124.410 121.223 -0.131 0.000 2.349 69 L HA -0.039 4.178 4.340 -0.206 0.000 0.275 69 L C 0.367 177.211 176.870 -0.044 0.000 1.115 69 L CA 0.539 55.301 54.840 -0.130 0.000 0.820 69 L CB 0.511 42.501 42.059 -0.115 0.000 1.135 69 L HN 0.636 8.804 8.230 -0.105 0.000 0.445 70 I N 1.050 121.619 120.570 -0.002 0.000 3.265 70 I HA -0.048 4.149 4.170 0.044 0.000 0.282 70 I C -0.781 175.370 176.117 0.057 0.000 1.207 70 I CA 1.263 62.595 61.300 0.053 0.000 1.449 70 I CB 1.020 39.092 38.000 0.120 0.000 1.121 70 I HN 0.623 8.827 8.210 -0.010 0.000 0.442 71 D N -2.300 118.142 120.400 0.070 0.000 2.798 71 D HA -0.026 4.657 4.640 0.073 0.000 0.265 71 D C -1.475 174.894 176.300 0.114 0.000 1.223 71 D CA -0.177 53.884 54.000 0.100 0.000 0.743 71 D CB 1.650 42.533 40.800 0.138 0.000 1.276 71 D HN -0.672 7.733 8.370 0.059 0.000 0.421 72 D N 0.368 120.821 120.400 0.089 0.000 2.322 72 D HA -0.302 4.314 4.640 -0.039 0.000 0.210 72 D C 0.950 177.140 176.300 -0.184 0.000 0.983 72 D CA 2.989 56.946 54.000 -0.073 0.000 0.902 72 D CB -0.008 40.657 40.800 -0.225 0.000 0.905 72 D HN 0.433 8.867 8.370 0.108 0.000 0.483 73 Y N -5.902 114.522 120.300 0.207 0.000 2.481 73 Y HA 0.050 4.712 4.550 0.186 0.000 0.247 73 Y C -1.409 174.676 175.900 0.308 0.000 1.151 73 Y CA -0.472 57.752 58.100 0.207 0.000 1.238 73 Y CB 0.735 39.248 38.460 0.088 0.000 1.179 73 Y HN -0.447 8.371 8.280 0.377 -0.312 0.524 74 V N -0.217 119.972 119.914 0.458 0.000 2.711 74 V HA 0.520 5.119 4.120 0.562 -0.142 0.304 74 V C -2.716 173.495 176.094 0.196 0.000 1.097 74 V CA -2.220 60.322 62.300 0.403 0.000 0.906 74 V CB 3.212 35.193 31.823 0.262 0.000 1.015 74 V HN -0.305 7.995 8.190 0.356 0.104 0.427 75 A N 7.524 130.404 122.820 0.099 0.000 2.344 75 A HA 0.989 5.311 4.320 -0.163 -0.100 0.307 75 A C -2.665 174.905 177.584 -0.024 0.000 1.151 75 A CA -2.638 49.290 52.037 -0.182 0.000 0.842 75 A CB 3.991 22.577 19.000 -0.690 0.000 1.350 75 A HN 1.059 9.408 8.150 0.332 0.000 0.459 76 A N -2.780 119.958 122.820 -0.136 0.000 2.594 76 A HA 1.121 5.492 4.320 -0.240 -0.195 0.295 76 A C -2.831 174.612 177.584 -0.235 0.000 1.071 76 A CA -1.118 50.765 52.037 -0.256 0.000 0.685 76 A CB 3.954 22.666 19.000 -0.480 0.000 1.285 76 A HN 0.619 8.669 8.150 -0.168 0.000 0.405 77 V N 0.789 120.554 119.914 -0.248 0.000 2.789 77 V HA 0.822 5.010 4.120 -0.162 -0.165 0.311 77 V C -2.034 173.942 176.094 -0.196 0.000 1.073 77 V CA -3.058 59.132 62.300 -0.182 0.000 0.921 77 V CB 3.345 35.086 31.823 -0.137 0.000 1.009 77 V HN 0.229 8.240 8.190 -0.299 0.000 0.426 78 T N 7.564 122.029 114.554 -0.148 0.000 2.907 78 T HA 0.573 4.939 4.350 -0.151 -0.107 0.290 78 T C -1.251 173.397 174.700 -0.087 0.000 1.066 78 T CA -1.852 60.171 62.100 -0.129 0.000 1.012 78 T CB 1.742 70.538 68.868 -0.120 0.000 1.184 78 T HN -0.114 8.051 8.240 -0.125 0.000 0.522 79 S N 3.265 118.923 115.700 -0.069 0.000 2.543 79 S HA 0.312 4.756 4.470 -0.043 0.000 0.273 79 S C -2.020 172.564 174.600 -0.027 0.000 1.152 79 S CA 0.005 58.177 58.200 -0.046 0.000 0.910 79 S CB 2.215 65.386 63.200 -0.048 0.000 1.105 79 S HN 0.545 8.812 8.310 -0.072 0.000 0.465 80 G N 2.978 111.769 108.800 -0.016 0.000 2.265 80 G HA2 -0.104 4.009 3.960 0.001 0.000 0.246 80 G HA3 -0.104 3.987 3.960 0.005 -0.129 0.246 80 G C -1.912 172.988 174.900 0.001 0.000 1.299 80 G CA -0.466 44.633 45.100 -0.002 0.000 1.117 80 G HN -0.025 8.254 8.290 -0.019 0.000 0.485 81 L N 2.503 123.732 121.223 0.010 0.000 2.654 81 L HA 0.098 4.441 4.340 0.004 0.000 0.271 81 L C 1.014 177.889 176.870 0.008 0.000 1.169 81 L CA -0.278 54.568 54.840 0.009 0.000 0.947 81 L CB -1.344 40.722 42.059 0.013 0.000 1.232 81 L HN 0.218 8.459 8.230 0.018 0.000 0.486 82 V N 9.026 128.940 119.914 0.001 0.000 2.324 82 V HA -0.498 3.618 4.120 -0.007 0.000 0.250 82 V C 0.980 177.078 176.094 0.007 0.000 1.060 82 V CA 3.745 66.044 62.300 -0.002 0.000 1.042 82 V CB 0.173 31.992 31.823 -0.006 0.000 0.650 82 V HN 0.430 8.619 8.190 -0.002 0.000 0.450 83 A N -1.413 121.413 122.820 0.010 0.000 1.845 83 A HA -0.211 4.119 4.320 0.016 0.000 0.215 83 A C 1.442 179.048 177.584 0.037 0.000 1.195 83 A CA 3.516 55.563 52.037 0.017 0.000 0.616 83 A CB -1.727 17.279 19.000 0.011 0.000 0.832 83 A HN 0.235 8.389 8.150 0.006 0.000 0.443 84 D N -0.867 119.561 120.400 0.046 0.000 2.133 84 D HA -0.339 4.383 4.640 0.138 0.000 0.192 84 D C 2.362 178.728 176.300 0.110 0.000 1.001 84 D CA 3.136 57.203 54.000 0.111 0.000 0.844 84 D CB -0.695 40.171 40.800 0.110 0.000 0.944 84 D HN 0.026 8.413 8.370 0.027 0.000 0.447 85 A N 0.022 122.871 122.820 0.048 0.000 1.859 85 A HA -0.422 3.895 4.320 -0.004 0.000 0.217 85 A C 1.581 179.171 177.584 0.009 0.000 1.198 85 A CA 3.285 55.327 52.037 0.009 0.000 0.629 85 A CB -0.492 18.498 19.000 -0.016 0.000 0.830 85 A HN -0.050 8.122 8.150 0.037 0.000 0.446 86 R N -1.439 119.071 120.500 0.017 0.000 2.097 86 R HA -0.380 3.965 4.340 0.008 0.000 0.236 86 R C 1.856 178.183 176.300 0.045 0.000 1.135 86 R CA 3.341 59.454 56.100 0.021 0.000 0.934 86 R CB 0.024 30.336 30.300 0.020 0.000 0.846 86 R HN -0.587 7.693 8.270 0.016 0.000 0.431 87 V N -0.532 119.422 119.914 0.067 0.000 2.380 87 V HA -0.342 3.833 4.120 0.091 0.000 0.251 87 V C 1.478 177.629 176.094 0.095 0.000 1.063 87 V CA 3.364 65.722 62.300 0.097 0.000 1.055 87 V CB -0.402 31.500 31.823 0.131 0.000 0.657 87 V HN -0.403 7.826 8.190 0.065 0.000 0.455 88 L N -0.087 121.158 121.223 0.038 0.000 2.056 88 L HA -0.328 3.928 4.340 -0.141 0.000 0.207 88 L C 2.057 178.981 176.870 0.090 0.000 1.078 88 L CA 3.327 58.139 54.840 -0.047 0.000 0.749 88 L CB -0.233 41.734 42.059 -0.154 0.000 0.901 88 L HN -0.431 7.824 8.230 0.048 0.005 0.433 89 V N 0.556 120.508 119.914 0.063 0.000 2.255 89 V HA -0.693 3.490 4.120 0.105 0.000 0.247 89 V C 1.852 178.011 176.094 0.108 0.000 1.051 89 V CA 5.177 67.523 62.300 0.077 0.000 1.018 89 V CB -0.509 31.324 31.823 0.017 0.000 0.641 89 V HN 0.286 8.418 8.190 0.031 0.076 0.445 90 D N -0.648 119.807 120.400 0.092 0.000 2.149 90 D HA -0.334 4.335 4.640 0.049 0.000 0.198 90 D C 1.997 178.353 176.300 0.093 0.000 0.990 90 D CA 3.543 57.590 54.000 0.078 0.000 0.839 90 D CB -0.464 40.377 40.800 0.069 0.000 0.948 90 D HN -0.248 8.169 8.370 0.079 0.000 0.460 91 F N 0.850 120.803 119.950 0.006 0.000 2.069 91 F HA -0.461 4.068 4.527 0.003 0.000 0.298 91 F C 0.704 176.507 175.800 0.004 0.000 1.113 91 F CA 3.629 61.628 58.000 -0.003 0.000 1.214 91 F CB -0.026 38.954 39.000 -0.033 0.000 0.978 91 F HN -0.517 7.868 8.300 0.268 0.076 0.474 92 A N -0.507 122.453 122.820 0.233 0.000 1.917 92 A HA -0.511 3.882 4.320 0.122 0.000 0.219 92 A C 1.979 179.561 177.584 -0.004 0.000 1.182 92 A CA 3.358 55.481 52.037 0.144 0.000 0.633 92 A CB -0.810 18.375 19.000 0.309 0.000 0.819 92 A HN 0.308 8.611 8.150 0.355 0.060 0.448 93 R N -1.763 118.745 120.500 0.013 0.000 2.070 93 R HA -0.314 4.032 4.340 0.009 0.000 0.232 93 R C 2.672 178.930 176.300 -0.070 0.000 1.138 93 R CA 3.601 59.694 56.100 -0.012 0.000 0.936 93 R CB 0.173 30.477 30.300 0.007 0.000 0.839 93 R HN -0.141 8.083 8.270 0.058 0.081 0.429 94 I N -2.647 117.853 120.570 -0.117 0.000 2.286 94 I HA -0.448 3.667 4.170 -0.091 0.000 0.248 94 I C 1.400 177.396 176.117 -0.201 0.000 1.115 94 I CA 3.804 65.018 61.300 -0.144 0.000 1.392 94 I CB -0.372 37.535 38.000 -0.154 0.000 1.065 94 I HN 0.113 8.259 8.210 -0.106 0.000 0.418 95 S N 0.917 116.420 115.700 -0.329 0.000 2.359 95 S HA -0.471 3.806 4.470 -0.322 0.000 0.224 95 S C 2.049 176.552 174.600 -0.161 0.000 1.035 95 S CA 3.672 61.676 58.200 -0.327 0.000 1.018 95 S CB -0.210 62.708 63.200 -0.470 0.000 0.876 95 S HN 0.159 8.215 8.310 -0.416 0.005 0.448 96 A N 0.910 123.661 122.820 -0.114 0.000 1.908 96 A HA -0.405 3.880 4.320 -0.058 0.000 0.218 96 A C 2.159 179.721 177.584 -0.036 0.000 1.181 96 A CA 3.172 55.176 52.037 -0.056 0.000 0.627 96 A CB -0.709 18.279 19.000 -0.020 0.000 0.818 96 A HN 0.080 8.080 8.150 -0.123 0.076 0.445 97 Q N -2.175 117.599 119.800 -0.044 0.000 2.079 97 Q HA -0.347 3.986 4.340 -0.011 0.000 0.200 97 Q C 2.730 178.707 176.000 -0.038 0.000 0.974 97 Q CA 2.595 58.380 55.803 -0.031 0.000 0.840 97 Q CB -0.693 28.025 28.738 -0.034 0.000 0.898 97 Q HN -0.362 7.874 8.270 -0.058 0.000 0.430 98 Q N -0.251 119.510 119.800 -0.064 0.000 2.045 98 Q HA -0.431 3.871 4.340 -0.062 0.000 0.206 98 Q C 2.152 178.130 176.000 -0.036 0.000 0.991 98 Q CA 3.485 59.250 55.803 -0.063 0.000 0.851 98 Q CB -0.272 28.412 28.738 -0.089 0.000 0.911 98 Q HN 0.239 8.386 8.270 -0.087 0.071 0.418 99 E N -0.469 119.728 120.200 -0.005 0.000 2.058 99 E HA -0.396 4.021 4.350 0.112 0.000 0.194 99 E C 2.135 178.783 176.600 0.080 0.000 0.997 99 E CA 3.130 59.578 56.400 0.080 0.000 0.801 99 E CB -0.258 29.500 29.700 0.095 0.000 0.746 99 E HN -0.371 7.973 8.360 -0.027 0.000 0.450 100 K N -0.914 119.507 120.400 0.036 0.000 2.063 100 K HA -0.371 3.978 4.320 0.049 0.000 0.208 100 K C 2.435 179.040 176.600 0.008 0.000 1.048 100 K CA 3.122 59.426 56.287 0.029 0.000 0.928 100 K CB -0.028 32.482 32.500 0.016 0.000 0.713 100 K HN -0.583 7.677 8.250 0.016 0.000 0.442 101 V N -2.547 117.356 119.914 -0.018 0.000 2.809 101 V HA -0.285 3.820 4.120 -0.025 0.000 0.256 101 V C 1.369 177.420 176.094 -0.072 0.000 1.080 101 V CA 2.736 65.013 62.300 -0.037 0.000 1.102 101 V CB 0.225 32.024 31.823 -0.039 0.000 0.705 101 V HN -0.046 8.133 8.190 -0.020 0.000 0.475 102 T N -0.048 114.437 114.554 -0.116 0.000 2.953 102 T HA -0.149 4.082 4.350 -0.198 0.000 0.247 102 T C 1.251 175.756 174.700 -0.324 0.000 1.029 102 T CA 2.660 64.610 62.100 -0.249 0.000 1.144 102 T CB 0.981 69.627 68.868 -0.369 0.000 0.870 102 T HN -0.495 7.573 8.240 -0.087 0.120 0.446 103 Y N -1.034 119.249 120.300 -0.029 0.000 2.510 103 Y HA 0.051 4.586 4.550 -0.026 0.000 0.273 103 Y C 0.576 176.459 175.900 -0.028 0.000 1.119 103 Y CA 0.935 59.018 58.100 -0.029 0.000 1.286 103 Y CB 0.603 39.043 38.460 -0.033 0.000 1.061 103 Y HN 0.224 8.469 8.280 -0.058 0.000 0.542 104 G N -2.198 106.648 108.800 0.076 0.000 2.225 104 G HA2 -0.416 3.615 3.960 0.018 0.000 0.254 104 G HA3 -0.416 3.568 3.960 0.039 0.000 0.254 104 G C -0.690 174.233 174.900 0.039 0.000 0.988 104 G CA 0.025 45.150 45.100 0.042 0.000 0.625 104 G HN -0.233 7.957 8.290 0.042 0.126 0.527 105 S N -1.568 114.170 115.700 0.063 0.000 2.579 105 S HA 0.037 4.507 4.470 0.001 0.000 0.290 105 S C -1.747 172.860 174.600 0.011 0.000 1.123 105 S CA -0.449 57.761 58.200 0.016 0.000 0.894 105 S CB 1.432 64.621 63.200 -0.018 0.000 1.095 105 S HN -0.446 7.855 8.310 0.126 0.085 0.450 106 L N 8.216 129.430 121.223 -0.016 0.000 2.462 106 L HA 0.127 4.633 4.340 -0.022 -0.179 0.283 106 L C -0.956 175.873 176.870 -0.067 0.000 1.166 106 L CA -0.350 54.471 54.840 -0.032 0.000 0.964 106 L CB -1.290 40.756 42.059 -0.023 0.000 1.294 106 L HN 0.470 8.685 8.230 -0.025 0.000 0.449 107 V N 6.425 126.286 119.914 -0.089 0.000 2.323 107 V HA -0.138 3.929 4.120 -0.089 0.000 0.244 107 V C -1.298 174.741 176.094 -0.092 0.000 1.041 107 V CA 1.760 64.000 62.300 -0.100 0.000 1.025 107 V CB 1.300 33.046 31.823 -0.129 0.000 0.656 107 V HN -0.239 7.999 8.190 -0.096 -0.106 0.451 108 N N -3.542 115.093 118.700 -0.108 0.000 2.483 108 N HA 0.213 5.135 4.740 -0.069 -0.223 0.267 108 N C 0.802 176.236 175.510 -0.127 0.000 0.998 108 N CA -2.146 50.845 53.050 -0.097 0.000 0.918 108 N CB 0.371 38.800 38.487 -0.098 0.000 1.215 108 N HN -0.695 7.607 8.380 -0.130 0.000 0.500 109 I N 6.960 127.461 120.570 -0.115 0.000 2.335 109 I HA -0.480 3.596 4.170 -0.157 0.000 0.251 109 I C 0.233 176.125 176.117 -0.374 0.000 1.129 109 I CA 2.821 64.016 61.300 -0.175 0.000 1.402 109 I CB 0.289 38.242 38.000 -0.079 0.000 1.069 109 I HN -0.057 8.354 8.210 -0.067 -0.241 0.424 110 E N 0.096 120.043 120.200 -0.422 0.000 2.130 110 E HA -0.521 2.989 4.350 -1.400 0.000 0.196 110 E C 1.880 178.212 176.600 -0.447 0.000 0.998 110 E CA 3.648 59.641 56.400 -0.678 0.000 0.806 110 E CB -0.519 29.000 29.700 -0.300 0.000 0.738 110 E HN 0.364 8.871 8.360 -0.240 -0.292 0.459 111 N N -0.591 117.942 118.700 -0.279 0.000 2.084 111 N HA -0.267 4.369 4.740 -0.175 0.000 0.190 111 N C 2.145 177.518 175.510 -0.228 0.000 1.030 111 N CA 3.213 56.140 53.050 -0.204 0.000 0.849 111 N CB 0.012 38.411 38.487 -0.146 0.000 1.012 111 N HN -0.454 7.658 8.380 -0.239 0.125 0.423 112 L N 0.544 121.607 121.223 -0.265 0.000 1.978 112 L HA -0.321 3.905 4.340 -0.190 0.000 0.218 112 L C 1.213 177.841 176.870 -0.403 0.000 1.075 112 L CA 2.969 57.639 54.840 -0.283 0.000 0.767 112 L CB -0.420 41.461 42.059 -0.296 0.000 0.890 112 L HN -0.686 7.300 8.230 -0.262 0.086 0.434 113 V N -1.941 117.594 119.914 -0.632 0.000 2.490 113 V HA -0.625 2.905 4.120 -0.982 0.000 0.250 113 V C 1.261 177.152 176.094 -0.339 0.000 1.061 113 V CA 4.060 65.914 62.300 -0.743 0.000 1.064 113 V CB -0.421 30.887 31.823 -0.858 0.000 0.670 113 V HN -0.562 7.245 8.190 -0.638 0.000 0.461 114 K N -0.675 119.566 120.400 -0.266 0.000 2.103 114 K HA -0.382 3.882 4.320 -0.094 0.000 0.207 114 K C 2.368 178.930 176.600 -0.063 0.000 1.048 114 K CA 4.013 60.223 56.287 -0.128 0.000 0.930 114 K CB -0.440 31.996 32.500 -0.107 0.000 0.716 114 K HN -0.064 7.913 8.250 -0.333 0.073 0.444 115 R N -0.883 119.585 120.500 -0.053 0.000 2.073 115 R HA -0.240 4.135 4.340 0.058 0.000 0.229 115 R C 2.230 178.607 176.300 0.128 0.000 1.120 115 R CA 3.235 59.369 56.100 0.057 0.000 0.967 115 R CB 0.089 30.438 30.300 0.081 0.000 0.862 115 R HN -0.236 7.878 8.270 -0.110 0.090 0.436 116 V N -0.020 119.951 119.914 0.096 0.000 2.358 116 V HA -0.376 3.777 4.120 0.055 0.000 0.246 116 V C 0.970 177.012 176.094 -0.087 0.000 1.047 116 V CA 3.658 65.993 62.300 0.058 0.000 1.035 116 V CB -0.064 31.848 31.823 0.149 0.000 0.658 116 V HN -0.398 7.790 8.190 -0.003 0.000 0.452 117 A N -0.215 122.583 122.820 -0.037 0.000 1.902 117 A HA -0.318 3.989 4.320 -0.023 0.000 0.217 117 A C 1.599 179.169 177.584 -0.023 0.000 1.181 117 A CA 3.027 55.052 52.037 -0.020 0.000 0.623 117 A CB -0.660 18.347 19.000 0.012 0.000 0.818 117 A HN 0.265 8.389 8.150 -0.043 0.000 0.443 118 D N -2.043 118.352 120.400 -0.007 0.000 2.178 118 D HA -0.327 4.338 4.640 0.041 0.000 0.201 118 D C 2.382 178.689 176.300 0.011 0.000 0.980 118 D CA 3.321 57.336 54.000 0.024 0.000 0.842 118 D CB -0.854 39.972 40.800 0.044 0.000 0.948 118 D HN -0.253 8.115 8.370 -0.004 0.000 0.472 119 Q N -0.280 119.460 119.800 -0.099 0.000 2.002 119 Q HA -0.308 3.976 4.340 -0.094 0.000 0.204 119 Q C 2.491 178.431 176.000 -0.101 0.000 0.988 119 Q CA 2.880 58.551 55.803 -0.220 0.000 0.843 119 Q CB -0.148 28.146 28.738 -0.740 0.000 0.908 119 Q HN -0.516 7.600 8.270 -0.107 0.089 0.420 120 M N -1.205 118.271 119.600 -0.207 0.000 2.080 120 M HA -0.386 4.018 4.480 -0.126 0.000 0.260 120 M C 2.630 179.012 176.300 0.137 0.000 1.068 120 M CA 3.738 58.987 55.300 -0.085 0.000 1.109 120 M CB -0.185 32.341 32.600 -0.124 0.000 1.342 120 M HN -0.348 7.785 8.290 -0.262 0.000 0.405 121 Q N -0.244 119.615 119.800 0.098 0.000 2.152 121 Q HA -0.366 4.032 4.340 0.098 0.000 0.206 121 Q C 2.914 179.025 176.000 0.184 0.000 0.985 121 Q CA 3.064 58.937 55.803 0.117 0.000 0.863 121 Q CB -0.577 28.211 28.738 0.083 0.000 0.904 121 Q HN 0.214 8.510 8.270 0.044 0.000 0.422 122 Q N -0.729 119.234 119.800 0.272 0.000 2.135 122 Q HA -0.316 4.238 4.340 0.357 0.000 0.204 122 Q C 2.164 178.360 176.000 0.327 0.000 0.981 122 Q CA 3.170 59.188 55.803 0.357 0.000 0.856 122 Q CB -0.038 28.903 28.738 0.339 0.000 0.902 122 Q HN -0.328 8.076 8.270 0.242 0.011 0.425 123 Y N -5.798 114.598 120.300 0.161 0.000 2.616 123 Y HA -0.099 4.529 4.550 0.131 0.000 0.296 123 Y C 1.055 176.989 175.900 0.057 0.000 1.154 123 Y CA 1.334 59.508 58.100 0.123 0.000 1.325 123 Y CB -0.651 37.891 38.460 0.136 0.000 1.007 123 Y HN -0.554 8.114 8.280 0.813 0.100 0.542 124 T N -2.451 112.205 114.554 0.171 0.000 3.055 124 T HA -0.188 4.183 4.350 0.034 0.000 0.265 124 T C -0.465 174.200 174.700 -0.059 0.000 1.111 124 T CA 2.450 64.574 62.100 0.041 0.000 1.118 124 T CB 0.634 69.519 68.868 0.029 0.000 0.909 124 T HN -0.225 7.932 8.240 0.210 0.209 0.501 125 Q N -1.898 117.855 119.800 -0.078 0.000 2.123 125 Q HA 0.200 4.427 4.340 -0.187 0.000 0.244 125 Q C 0.484 176.314 176.000 -0.283 0.000 0.769 125 Q CA -0.177 55.499 55.803 -0.210 0.000 0.938 125 Q CB 1.804 30.378 28.738 -0.274 0.000 1.170 125 Q HN -0.635 7.490 8.270 -0.009 0.139 0.469 126 Y N 3.096 123.345 120.300 -0.085 0.000 3.028 126 Y HA -0.309 4.197 4.550 -0.075 0.000 0.381 126 Y C 0.505 176.339 175.900 -0.110 0.000 1.139 126 Y CA 0.445 58.480 58.100 -0.108 0.000 2.013 126 Y CB -2.342 36.025 38.460 -0.155 0.000 2.146 126 Y HN -0.228 8.053 8.280 0.002 0.000 0.412 127 G N 2.045 110.839 108.800 -0.009 0.000 2.627 127 G HA2 -0.442 3.503 3.960 -0.024 0.000 0.312 127 G HA3 -0.442 3.525 3.960 0.012 0.000 0.312 127 G C 0.102 174.995 174.900 -0.013 0.000 1.299 127 G CA -0.442 44.654 45.100 -0.006 0.000 0.989 127 G HN -0.089 8.076 8.290 -0.073 0.081 0.547 128 G N 0.655 109.449 108.800 -0.010 0.000 2.529 128 G HA2 -0.121 3.833 3.960 -0.010 0.000 0.285 128 G HA3 -0.121 3.831 3.960 -0.013 0.000 0.285 128 G C -1.200 173.681 174.900 -0.032 0.000 0.632 128 G CA 0.874 45.964 45.100 -0.017 0.000 2.116 128 G HN 0.055 8.345 8.290 -0.001 0.000 0.538 129 V N 0.971 120.869 119.914 -0.027 0.000 2.971 129 V HA 0.036 4.152 4.120 -0.005 0.000 0.281 129 V C -2.505 173.609 176.094 0.033 0.000 1.470 129 V CA -0.725 61.564 62.300 -0.017 0.000 0.966 129 V CB 2.878 34.634 31.823 -0.112 0.000 1.156 129 V HN -0.471 7.675 8.190 -0.017 0.033 0.441 130 R N 7.482 128.006 120.500 0.041 0.000 2.390 130 R HA 0.300 4.664 4.340 0.039 0.000 0.291 130 R C -1.990 174.338 176.300 0.047 0.000 1.070 130 R CA -1.638 54.483 56.100 0.034 0.000 1.014 130 R CB 0.482 30.782 30.300 0.001 0.000 1.007 130 R HN 0.189 8.474 8.270 0.025 0.000 0.466 131 P HA -0.052 4.487 4.420 0.198 0.000 0.269 131 P C -1.328 175.948 177.300 -0.040 0.000 1.217 131 P CA -0.128 63.022 63.100 0.084 0.000 0.783 131 P CB 0.573 32.327 31.700 0.089 0.000 0.898 132 Y N -0.783 119.476 120.300 -0.069 0.000 2.436 132 Y HA -0.089 4.561 4.550 -0.095 -0.157 0.336 132 Y C 1.583 177.457 175.900 -0.043 0.000 1.049 132 Y CA 0.948 58.986 58.100 -0.103 0.000 1.294 132 Y CB 0.230 38.580 38.460 -0.184 0.000 1.179 132 Y HN 0.210 8.633 8.280 0.238 0.000 0.520 133 G N 5.332 114.180 108.800 0.080 0.000 3.343 133 G HA2 0.088 4.089 3.960 0.068 0.000 0.264 133 G HA3 0.088 4.075 3.960 0.045 0.000 0.264 133 G C -2.716 172.218 174.900 0.056 0.000 0.884 133 G CA -0.206 44.931 45.100 0.062 0.000 1.916 133 G HN 0.780 9.410 8.290 0.038 -0.318 0.618 134 V N 0.695 120.646 119.914 0.060 0.000 3.204 134 V HA 0.783 5.045 4.120 0.017 -0.131 0.298 134 V C -3.259 172.843 176.094 0.013 0.000 1.328 134 V CA -2.218 60.099 62.300 0.028 0.000 1.035 134 V CB 2.988 34.826 31.823 0.025 0.000 1.095 134 V HN -0.545 7.648 8.190 0.076 0.042 0.442 135 S N 3.492 119.186 115.700 -0.011 0.000 2.571 135 S HA 0.834 5.438 4.470 -0.002 -0.136 0.284 135 S C -1.700 172.863 174.600 -0.062 0.000 1.128 135 S CA -1.019 57.170 58.200 -0.018 0.000 0.970 135 S CB 2.469 65.664 63.200 -0.008 0.000 1.039 135 S HN 0.362 8.661 8.310 -0.019 0.000 0.485 136 L N -0.991 120.181 121.223 -0.086 0.000 2.376 136 L HA 0.872 5.205 4.340 -0.181 -0.102 0.258 136 L C -1.934 174.810 176.870 -0.209 0.000 1.013 136 L CA -1.388 53.331 54.840 -0.201 0.000 0.822 136 L CB 3.478 45.336 42.059 -0.336 0.000 1.388 136 L HN 0.756 8.964 8.230 -0.036 0.000 0.413 137 I N -6.860 113.539 120.570 -0.285 0.000 2.498 137 I HA 0.677 4.958 4.170 0.014 -0.102 0.290 137 I C -1.953 174.018 176.117 -0.243 0.000 1.032 137 I CA -1.735 59.477 61.300 -0.146 0.000 1.073 137 I CB 3.162 41.115 38.000 -0.078 0.000 1.251 137 I HN 0.367 8.389 8.210 -0.313 0.000 0.426 138 F N 5.547 125.561 119.950 0.107 0.000 2.443 138 F HA 0.727 5.455 4.527 0.073 -0.157 0.335 138 F C -0.976 174.932 175.800 0.180 0.000 1.104 138 F CA -2.104 55.964 58.000 0.115 0.000 1.013 138 F CB 3.107 42.162 39.000 0.092 0.000 1.136 138 F HN 0.413 8.881 8.300 0.453 0.103 0.470 139 A N 0.703 123.731 122.820 0.347 0.000 2.549 139 A HA 1.141 5.863 4.320 0.321 -0.210 0.297 139 A C -1.929 175.870 177.584 0.359 0.000 1.061 139 A CA -1.454 50.768 52.037 0.309 0.000 0.690 139 A CB 4.085 23.223 19.000 0.229 0.000 1.287 139 A HN 0.693 9.032 8.150 0.315 0.000 0.402 140 G N -0.716 108.243 108.800 0.264 0.000 2.321 140 G HA2 0.269 4.298 3.960 0.114 0.000 0.298 140 G HA3 0.269 4.536 3.960 0.320 -0.114 0.298 140 G C -3.307 171.658 174.900 0.107 0.000 1.385 140 G CA 0.723 45.954 45.100 0.218 0.000 0.856 140 G HN 0.138 8.554 8.290 0.211 0.000 0.584 141 I N 1.163 121.772 120.570 0.066 0.000 2.377 141 I HA 0.702 5.047 4.170 0.034 -0.154 0.293 141 I C -2.262 173.892 176.117 0.061 0.000 0.987 141 I CA -2.939 58.386 61.300 0.042 0.000 1.185 141 I CB 2.102 40.100 38.000 -0.003 0.000 1.341 141 I HN -0.332 7.933 8.210 0.092 0.000 0.455 142 D N 8.524 128.943 120.400 0.033 0.000 2.668 142 D HA 0.223 4.850 4.640 -0.021 0.000 0.249 142 D C -0.671 175.613 176.300 -0.027 0.000 1.150 142 D CA -1.676 52.323 54.000 -0.002 0.000 1.090 142 D CB 1.862 42.665 40.800 0.005 0.000 1.244 142 D HN 0.353 8.650 8.370 0.038 0.096 0.636 143 Q N -0.711 119.062 119.800 -0.044 0.000 2.181 143 Q HA -0.236 4.071 4.340 -0.055 0.000 0.205 143 Q C 1.713 177.697 176.000 -0.027 0.000 0.980 143 Q CA 2.211 57.986 55.803 -0.047 0.000 0.862 143 Q CB -0.120 28.584 28.738 -0.056 0.000 0.905 143 Q HN -0.041 8.198 8.270 -0.050 0.000 0.429 144 I N -3.891 116.672 120.570 -0.012 0.000 2.617 144 I HA -0.209 3.957 4.170 -0.007 0.000 0.256 144 I C 0.278 176.397 176.117 0.003 0.000 1.167 144 I CA 0.863 62.163 61.300 0.000 0.000 1.469 144 I CB 0.727 38.738 38.000 0.018 0.000 1.098 144 I HN -0.130 8.365 8.210 -0.009 -0.290 0.436 145 G N -2.956 105.846 108.800 0.004 0.000 2.302 145 G HA2 -0.121 3.832 3.960 -0.012 0.000 0.276 145 G HA3 -0.121 3.835 3.960 -0.007 0.000 0.276 145 G C -3.308 171.593 174.900 0.001 0.000 1.316 145 G CA -0.400 44.697 45.100 -0.004 0.000 0.988 145 G HN -0.505 7.931 8.290 0.008 -0.141 0.479 146 P HA -0.002 4.395 4.420 -0.038 0.000 0.268 146 P C -1.799 175.508 177.300 0.011 0.000 1.204 146 P CA 0.369 63.443 63.100 -0.044 0.000 0.768 146 P CB 0.219 31.841 31.700 -0.131 0.000 0.842 147 R N 0.020 120.566 120.500 0.077 0.000 2.725 147 R HA 0.439 4.812 4.340 0.055 0.000 0.277 147 R C -2.074 174.346 176.300 0.201 0.000 0.987 147 R CA -1.368 54.829 56.100 0.162 0.000 0.901 147 R CB 4.756 35.283 30.300 0.377 0.000 1.207 147 R HN 0.818 9.032 8.270 0.082 0.105 0.463 148 L N 1.714 122.971 121.223 0.057 0.000 2.470 148 L HA 0.793 5.473 4.340 0.275 -0.174 0.268 148 L C -2.289 174.539 176.870 -0.070 0.000 0.964 148 L CA -0.471 54.433 54.840 0.106 0.000 0.839 148 L CB 3.636 45.709 42.059 0.023 0.000 1.276 148 L HN -0.160 8.116 8.230 -0.195 -0.163 0.403 149 F N 4.810 124.877 119.950 0.195 0.000 2.613 149 F HA 1.028 5.924 4.527 0.275 -0.203 0.314 149 F C -1.376 174.567 175.800 0.240 0.000 1.075 149 F CA -1.960 56.183 58.000 0.238 0.000 0.945 149 F CB 4.732 43.851 39.000 0.198 0.000 1.310 149 F HN 1.018 9.648 8.300 0.550 0.000 0.467 150 D N -0.586 120.065 120.400 0.418 0.000 2.477 150 D HA 0.554 5.421 4.640 0.185 -0.116 0.234 150 D C -1.788 174.676 176.300 0.273 0.000 1.048 150 D CA -1.843 52.298 54.000 0.236 0.000 0.959 150 D CB 3.675 44.496 40.800 0.034 0.000 1.408 150 D HN 0.317 8.977 8.370 0.483 0.000 0.496 151 C N -0.507 118.901 119.300 0.181 0.000 2.701 151 C HA 0.756 5.561 4.460 0.175 -0.240 0.336 151 C C -2.042 173.001 174.990 0.090 0.000 1.123 151 C CA -2.050 57.069 59.018 0.168 0.000 1.326 151 C CB 3.282 31.166 27.740 0.240 0.000 1.833 151 C HN 0.654 8.948 8.230 0.106 0.000 0.473 152 D N 6.484 126.932 120.400 0.080 0.000 2.392 152 D HA 0.684 5.348 4.640 0.041 0.000 0.246 152 D C -1.302 175.027 176.300 0.049 0.000 1.013 152 D CA -3.102 50.931 54.000 0.055 0.000 0.993 152 D CB -0.280 40.554 40.800 0.058 0.000 1.219 152 D HN -0.100 8.327 8.370 0.096 0.000 0.538 153 P HA -0.162 4.295 4.420 0.061 0.000 0.222 153 P C -0.740 176.594 177.300 0.057 0.000 1.142 153 P CA 1.800 64.934 63.100 0.057 0.000 0.788 153 P CB 0.065 31.802 31.700 0.061 0.000 0.767 154 A N -7.141 115.708 122.820 0.048 0.000 2.169 154 A HA -0.018 4.325 4.320 0.038 0.000 0.212 154 A C 0.427 178.040 177.584 0.048 0.000 1.153 154 A CA 0.089 52.151 52.037 0.042 0.000 0.756 154 A CB 0.182 19.202 19.000 0.034 0.000 0.813 154 A HN -0.210 8.191 8.150 0.048 -0.222 0.471 155 G N -2.634 106.196 108.800 0.050 0.000 2.159 155 G HA2 -0.331 3.651 3.960 0.038 0.000 0.227 155 G HA3 -0.331 3.657 3.960 0.047 0.000 0.227 155 G C -0.281 174.655 174.900 0.059 0.000 0.986 155 G CA 0.005 45.134 45.100 0.048 0.000 0.651 155 G HN 0.126 8.362 8.290 0.050 0.085 0.523 156 T N 3.209 117.804 114.554 0.068 0.000 2.884 156 T HA 0.041 4.433 4.350 0.070 0.000 0.298 156 T C -1.416 173.351 174.700 0.111 0.000 0.998 156 T CA 1.541 63.688 62.100 0.079 0.000 1.124 156 T CB 0.874 69.787 68.868 0.074 0.000 0.931 156 T HN -0.163 8.347 8.240 0.064 -0.232 0.531 157 I N 4.640 125.283 120.570 0.122 0.000 2.647 157 I HA 0.726 5.237 4.170 0.220 -0.210 0.295 157 I C -2.293 173.935 176.117 0.185 0.000 1.078 157 I CA -2.426 58.983 61.300 0.183 0.000 1.048 157 I CB 3.545 41.643 38.000 0.164 0.000 1.239 157 I HN 0.177 8.446 8.210 0.099 0.000 0.421 158 N N 7.111 125.956 118.700 0.241 0.000 2.484 158 N HA 0.235 4.998 4.740 0.039 0.000 0.269 158 N C -2.779 172.732 175.510 0.001 0.000 1.237 158 N CA -0.524 52.570 53.050 0.074 0.000 0.838 158 N CB 3.807 42.244 38.487 -0.084 0.000 1.593 158 N HN 0.006 8.686 8.380 0.330 -0.102 0.485 159 E N 0.418 120.423 120.200 -0.325 0.000 2.175 159 E HA 0.505 4.630 4.350 -0.697 -0.192 0.278 159 E C -1.165 175.162 176.600 -0.456 0.000 0.969 159 E CA -1.089 54.946 56.400 -0.609 0.000 0.796 159 E CB 1.886 31.055 29.700 -0.884 0.000 1.104 159 E HN 0.180 8.365 8.360 -0.292 0.000 0.395 160 Y N 4.877 124.998 120.300 -0.299 0.000 2.621 160 Y HA 0.132 4.582 4.550 -0.167 0.000 0.334 160 Y C -0.551 175.231 175.900 -0.196 0.000 1.074 160 Y CA -0.458 57.523 58.100 -0.198 0.000 1.149 160 Y CB 2.050 40.416 38.460 -0.157 0.000 1.302 160 Y HN 0.088 8.329 8.280 -0.064 0.000 0.501 161 K N -0.803 119.594 120.400 -0.003 0.000 2.334 161 K HA -0.074 4.220 4.320 -0.043 0.000 0.195 161 K C -1.054 175.397 176.600 -0.248 0.000 1.045 161 K CA 0.765 56.997 56.287 -0.091 0.000 1.004 161 K CB 0.877 33.331 32.500 -0.076 0.000 0.837 161 K HN 0.331 8.600 8.250 0.032 0.000 0.510 162 A N -4.571 118.108 122.820 -0.234 0.000 2.590 162 A HA 0.577 4.929 4.320 -0.213 -0.160 0.294 162 A C -2.009 175.452 177.584 -0.205 0.000 1.046 162 A CA -0.293 51.557 52.037 -0.311 0.000 0.684 162 A CB 2.018 20.602 19.000 -0.695 0.000 1.279 162 A HN -0.760 7.328 8.150 -0.057 0.029 0.415 163 T N -0.722 113.681 114.554 -0.252 0.000 2.636 163 T HA 0.218 4.413 4.350 -0.258 0.000 0.298 163 T C -2.699 171.840 174.700 -0.269 0.000 1.849 163 T CA -0.580 61.307 62.100 -0.354 0.000 0.963 163 T CB 1.035 69.355 68.868 -0.913 0.000 1.907 163 T HN 0.590 8.703 8.240 -0.211 0.000 0.496 164 A N -0.733 121.930 122.820 -0.260 0.000 2.535 164 A HA 0.330 4.601 4.320 -0.168 -0.051 0.296 164 A C -3.211 174.273 177.584 -0.166 0.000 1.248 164 A CA -0.932 50.999 52.037 -0.177 0.000 0.686 164 A CB 2.975 21.901 19.000 -0.122 0.000 1.315 164 A HN 0.163 8.128 8.150 -0.308 0.000 0.460 165 I N -2.216 118.285 120.570 -0.116 0.000 3.033 165 I HA 0.196 4.317 4.170 -0.082 0.000 0.306 165 I C -1.666 174.411 176.117 -0.066 0.000 1.473 165 I CA -1.324 59.922 61.300 -0.091 0.000 0.951 165 I CB 4.142 42.083 38.000 -0.097 0.000 1.338 165 I HN 0.683 8.831 8.210 -0.105 0.000 0.518 166 G N 2.477 111.249 108.800 -0.047 0.000 2.451 166 G HA2 -0.353 3.720 3.960 -0.031 0.000 0.208 166 G HA3 -0.353 3.784 3.960 -0.042 -0.203 0.208 166 G C 0.020 174.905 174.900 -0.025 0.000 1.248 166 G CA 0.124 45.202 45.100 -0.036 0.000 0.989 166 G HN -0.371 7.894 8.290 -0.041 0.000 0.559 167 S N 3.240 118.928 115.700 -0.021 0.000 2.363 167 S HA -0.110 4.602 4.470 -0.008 -0.247 0.218 167 S C 2.621 177.215 174.600 -0.011 0.000 1.035 167 S CA 2.570 60.762 58.200 -0.013 0.000 1.043 167 S CB 0.095 63.287 63.200 -0.012 0.000 0.986 167 S HN -0.045 8.250 8.310 -0.025 0.000 0.423 168 G N -0.098 108.693 108.800 -0.015 0.000 3.340 168 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.240 168 G HA3 -0.006 3.948 3.960 -0.010 0.000 0.240 168 G C -0.523 174.369 174.900 -0.012 0.000 1.327 168 G CA -0.574 44.520 45.100 -0.009 0.000 1.170 168 G HN 0.389 8.667 8.290 -0.020 0.000 0.520 169 K N 2.421 122.811 120.400 -0.017 0.000 1.977 169 K HA -0.375 3.920 4.320 -0.041 0.000 0.218 169 K C 0.897 177.493 176.600 -0.006 0.000 1.051 169 K CA 3.863 60.135 56.287 -0.025 0.000 0.953 169 K CB -0.019 32.464 32.500 -0.029 0.000 0.727 169 K HN -0.422 7.720 8.250 -0.016 0.099 0.445 170 D N -1.188 119.217 120.400 0.007 0.000 2.157 170 D HA -0.406 4.247 4.640 0.023 0.000 0.191 170 D C 1.840 178.160 176.300 0.034 0.000 1.004 170 D CA 3.610 57.623 54.000 0.021 0.000 0.854 170 D CB -0.848 39.966 40.800 0.023 0.000 0.936 170 D HN 0.363 8.736 8.370 0.005 0.000 0.446 171 A N -0.344 122.496 122.820 0.034 0.000 1.835 171 A HA -0.162 4.195 4.320 0.062 0.000 0.215 171 A C 2.009 179.641 177.584 0.081 0.000 1.199 171 A CA 2.760 54.831 52.037 0.056 0.000 0.615 171 A CB -0.787 18.241 19.000 0.047 0.000 0.838 171 A HN -0.192 7.962 8.150 0.023 0.010 0.444 172 V N -0.364 119.576 119.914 0.044 0.000 2.332 172 V HA -0.427 3.722 4.120 0.047 0.000 0.248 172 V C 1.750 177.874 176.094 0.050 0.000 1.055 172 V CA 3.282 65.598 62.300 0.026 0.000 1.038 172 V CB 0.221 32.018 31.823 -0.043 0.000 0.651 172 V HN -0.214 7.987 8.190 0.020 0.000 0.450 173 V N -0.461 119.468 119.914 0.026 0.000 2.332 173 V HA -0.567 3.554 4.120 0.000 0.000 0.248 173 V C 1.179 177.321 176.094 0.082 0.000 1.055 173 V CA 4.322 66.637 62.300 0.026 0.000 1.038 173 V CB -0.079 31.748 31.823 0.006 0.000 0.651 173 V HN 0.610 8.700 8.190 0.013 0.108 0.450 174 S N 0.728 116.485 115.700 0.095 0.000 2.356 174 S HA -0.371 4.149 4.470 0.082 0.000 0.223 174 S C 1.962 176.660 174.600 0.163 0.000 1.032 174 S CA 4.129 62.391 58.200 0.103 0.000 1.005 174 S CB -0.330 62.915 63.200 0.076 0.000 0.867 174 S HN -0.544 7.814 8.310 0.081 0.000 0.449 175 F N 3.141 123.106 119.950 0.025 0.000 2.091 175 F HA -0.404 4.143 4.527 0.034 0.000 0.299 175 F C 1.076 176.909 175.800 0.056 0.000 1.103 175 F CA 3.053 61.074 58.000 0.034 0.000 1.228 175 F CB -0.120 38.897 39.000 0.028 0.000 0.984 175 F HN -0.484 7.988 8.300 0.285 0.000 0.477 176 L N -1.473 120.007 121.223 0.428 0.000 2.027 176 L HA -0.407 4.202 4.340 0.447 0.000 0.206 176 L C 2.153 179.177 176.870 0.256 0.000 1.074 176 L CA 2.373 57.409 54.840 0.326 0.000 0.745 176 L CB -1.766 40.373 42.059 0.133 0.000 0.898 176 L HN -0.136 8.281 8.230 0.311 0.000 0.433 177 E N -0.313 119.985 120.200 0.163 0.000 2.253 177 E HA -0.370 4.047 4.350 0.112 0.000 0.202 177 E C 1.826 178.499 176.600 0.122 0.000 1.014 177 E CA 2.876 59.349 56.400 0.121 0.000 0.823 177 E CB -0.204 29.548 29.700 0.086 0.000 0.736 177 E HN 0.000 8.340 8.360 0.146 0.108 0.478 178 R N -2.422 118.150 120.500 0.120 0.000 2.072 178 R HA -0.050 4.323 4.340 0.054 0.000 0.214 178 R C 1.632 177.981 176.300 0.081 0.000 1.168 178 R CA 1.902 58.039 56.100 0.063 0.000 1.020 178 R CB 1.082 31.368 30.300 -0.022 0.000 0.914 178 R HN -0.503 7.709 8.270 0.145 0.145 0.449 179 E N -2.845 117.429 120.200 0.123 0.000 2.444 179 E HA -0.001 4.393 4.350 0.072 0.000 0.191 179 E C -0.217 176.511 176.600 0.213 0.000 1.041 179 E CA -0.185 56.301 56.400 0.143 0.000 0.883 179 E CB 0.724 30.503 29.700 0.133 0.000 1.024 179 E HN -0.175 8.282 8.360 0.161 0.000 0.470 180 Y N 2.353 122.734 120.300 0.135 0.000 2.544 180 Y HA -0.221 4.403 4.550 0.123 0.000 0.330 180 Y C -0.751 175.199 175.900 0.083 0.000 1.136 180 Y CA 1.023 59.190 58.100 0.112 0.000 1.417 180 Y CB 0.157 38.675 38.460 0.096 0.000 1.229 180 Y HN -0.376 8.044 8.280 0.336 0.062 0.532 181 K N 9.431 129.443 120.400 -0.647 0.000 2.281 181 K HA 0.156 4.282 4.320 -0.323 0.000 0.272 181 K C 0.149 176.294 176.600 -0.758 0.000 1.048 181 K CA -1.547 54.434 56.287 -0.510 0.000 0.898 181 K CB 0.699 33.063 32.500 -0.226 0.000 1.128 181 K HN 0.135 8.061 8.250 -0.540 0.000 0.460 182 E N 7.401 127.302 120.200 -0.498 0.000 2.223 182 E HA -0.460 3.794 4.350 -0.159 0.000 0.249 182 E C 0.063 176.593 176.600 -0.116 0.000 1.008 182 E CA 2.766 59.024 56.400 -0.238 0.000 0.975 182 E CB 0.133 29.793 29.700 -0.066 0.000 0.901 182 E HN 0.650 8.805 8.360 -0.341 0.000 0.537 183 N N -0.986 117.686 118.700 -0.048 0.000 2.714 183 N HA -0.007 4.778 4.740 0.074 0.000 0.298 183 N C -0.782 174.750 175.510 0.038 0.000 1.298 183 N CA -0.494 52.573 53.050 0.029 0.000 1.007 183 N CB -0.314 38.196 38.487 0.037 0.000 1.318 183 N HN -0.084 8.262 8.380 -0.056 0.000 0.516 184 L N 3.841 125.067 121.223 0.005 0.000 2.513 184 L HA 0.003 4.335 4.340 -0.014 0.000 0.272 184 L C -2.086 174.815 176.870 0.053 0.000 1.187 184 L CA -1.560 53.283 54.840 0.004 0.000 0.895 184 L CB 0.517 42.553 42.059 -0.038 0.000 1.147 184 L HN -0.719 7.402 8.230 -0.051 0.078 0.483 185 P HA 0.086 4.534 4.420 0.047 0.000 0.268 185 P C 0.261 177.465 177.300 -0.160 0.000 1.204 185 P CA -0.009 63.083 63.100 -0.013 0.000 0.768 185 P CB 0.805 32.503 31.700 -0.003 0.000 0.842 186 E N 6.962 126.929 120.200 -0.387 0.000 2.119 186 E HA -0.591 2.930 4.350 -1.381 0.000 0.221 186 E C 1.736 178.148 176.600 -0.314 0.000 1.062 186 E CA 4.864 60.822 56.400 -0.737 0.000 0.894 186 E CB 0.103 29.405 29.700 -0.663 0.000 0.785 186 E HN 0.477 8.680 8.360 -0.262 0.000 0.472 187 K N -2.128 118.221 120.400 -0.085 0.000 2.059 187 K HA -0.392 4.091 4.320 0.272 0.000 0.212 187 K C 2.414 179.082 176.600 0.115 0.000 1.050 187 K CA 3.464 59.823 56.287 0.119 0.000 0.927 187 K CB -0.414 32.160 32.500 0.123 0.000 0.714 187 K HN 0.102 8.305 8.250 -0.079 0.000 0.447 188 E N -2.220 117.994 120.200 0.023 0.000 2.216 188 E HA -0.159 4.233 4.350 0.069 0.000 0.192 188 E C 2.152 178.750 176.600 -0.004 0.000 0.988 188 E CA 2.404 58.821 56.400 0.028 0.000 0.834 188 E CB -0.043 29.664 29.700 0.013 0.000 0.772 188 E HN -0.335 8.008 8.360 -0.014 0.008 0.479 189 A N 1.994 124.770 122.820 -0.073 0.000 1.858 189 A HA -0.251 4.072 4.320 0.005 0.000 0.216 189 A C 1.625 179.160 177.584 -0.080 0.000 1.190 189 A CA 3.392 55.389 52.037 -0.067 0.000 0.617 189 A CB -0.470 18.435 19.000 -0.159 0.000 0.827 189 A HN 0.213 8.205 8.150 -0.119 0.086 0.443 190 V N -2.419 117.388 119.914 -0.177 0.000 2.490 190 V HA -0.451 3.525 4.120 -0.241 0.000 0.250 190 V C 1.195 177.206 176.094 -0.139 0.000 1.061 190 V CA 4.041 66.185 62.300 -0.260 0.000 1.064 190 V CB -0.532 30.948 31.823 -0.571 0.000 0.670 190 V HN 0.441 8.497 8.190 -0.223 0.000 0.461 191 T N 3.628 118.187 114.554 0.007 0.000 2.614 191 T HA -0.415 4.017 4.350 0.136 0.000 0.263 191 T C 1.569 176.274 174.700 0.008 0.000 1.055 191 T CA 5.114 67.266 62.100 0.086 0.000 1.162 191 T CB -0.202 68.746 68.868 0.133 0.000 0.863 191 T HN -0.818 7.346 8.240 0.030 0.094 0.414 192 L N 0.950 122.178 121.223 0.010 0.000 2.089 192 L HA -0.414 3.938 4.340 0.020 0.000 0.213 192 L C 1.987 178.789 176.870 -0.112 0.000 1.079 192 L CA 3.143 57.980 54.840 -0.004 0.000 0.758 192 L CB -0.545 41.549 42.059 0.058 0.000 0.891 192 L HN 0.155 8.399 8.230 0.024 0.000 0.433 193 G N -1.602 107.144 108.800 -0.090 0.000 2.404 193 G HA2 -0.348 3.525 3.960 -0.145 0.000 0.214 193 G HA3 -0.348 3.547 3.960 -0.108 0.000 0.214 193 G C 0.615 175.409 174.900 -0.176 0.000 1.189 193 G CA 1.853 46.873 45.100 -0.134 0.000 0.789 193 G HN 0.072 8.321 8.290 -0.056 0.008 0.533 194 I N 2.216 122.704 120.570 -0.136 0.000 2.361 194 I HA -0.464 3.635 4.170 -0.118 0.000 0.251 194 I C 1.041 177.087 176.117 -0.118 0.000 1.133 194 I CA 2.812 64.046 61.300 -0.109 0.000 1.413 194 I CB -0.105 37.865 38.000 -0.051 0.000 1.073 194 I HN 0.250 8.388 8.210 -0.120 0.000 0.424 195 K N 0.227 120.542 120.400 -0.143 0.000 2.001 195 K HA -0.374 3.910 4.320 -0.060 0.000 0.208 195 K C 1.678 178.048 176.600 -0.384 0.000 1.048 195 K CA 3.825 60.018 56.287 -0.156 0.000 0.932 195 K CB -0.125 32.328 32.500 -0.079 0.000 0.715 195 K HN 0.266 8.431 8.250 -0.121 0.013 0.437 196 A N -0.457 121.922 122.820 -0.736 0.000 1.908 196 A HA -0.248 3.013 4.320 -1.765 0.000 0.218 196 A C 2.386 179.741 177.584 -0.382 0.000 1.181 196 A CA 2.874 54.316 52.037 -0.992 0.000 0.627 196 A CB -0.659 17.855 19.000 -0.810 0.000 0.818 196 A HN -0.310 7.466 8.150 -0.623 0.000 0.445 197 L N -1.568 119.507 121.223 -0.247 0.000 2.017 197 L HA -0.345 3.924 4.340 -0.118 0.000 0.208 197 L C 1.190 178.008 176.870 -0.087 0.000 1.073 197 L CA 3.049 57.808 54.840 -0.135 0.000 0.745 197 L CB -0.305 41.687 42.059 -0.113 0.000 0.894 197 L HN 0.288 8.180 8.230 -0.263 0.180 0.432 198 K N -1.038 119.313 120.400 -0.082 0.000 1.969 198 K HA -0.450 4.089 4.320 -0.021 -0.232 0.223 198 K C 2.442 179.042 176.600 0.001 0.000 1.048 198 K CA 3.320 59.590 56.287 -0.029 0.000 0.983 198 K CB -0.070 32.423 32.500 -0.012 0.000 0.738 198 K HN 0.122 8.125 8.250 -0.111 0.180 0.446 199 S N -1.965 113.755 115.700 0.035 0.000 2.425 199 S HA -0.459 4.073 4.470 0.103 0.000 0.256 199 S C 1.110 175.754 174.600 0.074 0.000 1.101 199 S CA 3.436 61.700 58.200 0.106 0.000 1.188 199 S CB -0.675 62.688 63.200 0.272 0.000 1.085 199 S HN -0.234 8.083 8.310 0.012 0.000 0.439 200 S N 1.733 117.464 115.700 0.052 0.000 2.557 200 S HA -0.236 4.266 4.470 0.055 0.000 0.225 200 S C 2.160 176.771 174.600 0.019 0.000 1.092 200 S CA 2.245 60.466 58.200 0.035 0.000 1.310 200 S CB 0.246 63.450 63.200 0.006 0.000 1.147 200 S HN -0.812 7.518 8.310 0.033 0.000 0.402 201 L N -0.849 120.375 121.223 0.001 0.000 2.349 201 L HA -0.131 4.210 4.340 0.001 0.000 0.220 201 L C 1.872 178.744 176.870 0.005 0.000 1.130 201 L CA 1.480 56.320 54.840 -0.001 0.000 0.791 201 L CB -0.436 41.616 42.059 -0.012 0.000 0.918 201 L HN -0.514 7.710 8.230 -0.010 0.000 0.444 202 E N -1.471 118.735 120.200 0.010 0.000 2.651 202 E HA -0.146 4.210 4.350 0.009 0.000 0.236 202 E C 0.038 176.649 176.600 0.019 0.000 1.422 202 E CA -0.399 56.010 56.400 0.014 0.000 1.534 202 E CB -2.656 27.055 29.700 0.017 0.000 1.381 202 E HN 0.138 8.451 8.360 0.011 0.053 0.435 203 E N 0.167 120.377 120.200 0.016 0.000 2.158 203 E HA -0.118 4.243 4.350 0.019 0.000 0.191 203 E C 1.176 177.783 176.600 0.012 0.000 0.982 203 E CA 1.515 57.925 56.400 0.015 0.000 0.823 203 E CB 0.221 29.929 29.700 0.013 0.000 0.766 203 E HN 0.044 8.296 8.360 0.013 0.116 0.468 204 G N 0.579 109.384 108.800 0.009 0.000 3.424 204 G HA2 0.100 4.064 3.960 0.006 0.000 0.263 204 G HA3 0.100 4.063 3.960 0.004 0.000 0.263 204 G C -0.926 173.979 174.900 0.007 0.000 1.310 204 G CA -0.639 44.465 45.100 0.006 0.000 1.089 204 G HN -0.541 7.740 8.290 0.008 0.014 0.534 205 E N -0.515 119.691 120.200 0.010 0.000 4.100 205 E HA -0.607 3.752 4.350 0.015 0.000 0.204 205 E C -0.800 175.806 176.600 0.010 0.000 1.271 205 E CA 2.477 58.883 56.400 0.012 0.000 2.192 205 E CB -1.106 28.601 29.700 0.010 0.000 1.879 205 E HN -0.656 7.608 8.360 0.012 0.104 0.291 206 E N 1.272 121.477 120.200 0.008 0.000 2.383 206 E HA -0.160 4.195 4.350 0.009 0.000 0.257 206 E C 0.180 176.783 176.600 0.004 0.000 1.079 206 E CA 0.201 56.605 56.400 0.007 0.000 0.934 206 E CB 0.136 29.840 29.700 0.005 0.000 0.978 206 E HN -0.168 8.159 8.360 0.007 0.038 0.462 207 L N 7.032 128.258 121.223 0.005 0.000 2.465 207 L HA -0.203 4.307 4.340 -0.003 -0.172 0.224 207 L C -0.730 176.139 176.870 -0.001 0.000 1.145 207 L CA 1.034 55.874 54.840 0.000 0.000 0.834 207 L CB -0.192 41.868 42.059 0.002 0.000 0.944 207 L HN 0.201 8.436 8.230 0.009 0.000 0.451 208 K N -4.149 116.252 120.400 0.003 0.000 1.792 208 K HA -0.317 4.006 4.320 0.005 0.000 0.412 208 K C -1.451 175.152 176.600 0.006 0.000 1.788 208 K CA 1.208 57.497 56.287 0.003 0.000 0.707 208 K CB -0.839 31.660 32.500 -0.002 0.000 1.113 208 K HN -0.461 7.740 8.250 0.005 0.053 0.728 209 A N 1.841 124.663 122.820 0.003 0.000 2.256 209 A HA 0.441 4.770 4.320 0.015 0.000 0.317 209 A C -2.784 174.797 177.584 -0.004 0.000 1.318 209 A CA -2.284 49.758 52.037 0.007 0.000 0.894 209 A CB 0.278 19.284 19.000 0.011 0.000 1.165 209 A HN 0.074 8.223 8.150 -0.000 0.000 0.525 210 P HA 0.169 4.666 4.420 -0.038 -0.099 0.276 210 P C -1.640 175.637 177.300 -0.037 0.000 1.244 210 P CA -0.898 62.182 63.100 -0.033 0.000 0.801 210 P CB 1.087 32.760 31.700 -0.046 0.000 1.006 211 E N 0.925 121.090 120.200 -0.059 0.000 2.165 211 E HA 0.356 4.684 4.350 -0.037 0.000 0.266 211 E C -1.976 174.558 176.600 -0.110 0.000 0.889 211 E CA -1.449 54.915 56.400 -0.060 0.000 0.756 211 E CB 3.004 32.672 29.700 -0.052 0.000 1.131 211 E HN 0.591 8.911 8.360 -0.066 0.000 0.411 212 I N 5.881 126.363 120.570 -0.147 0.000 2.582 212 I HA 0.779 4.976 4.170 -0.239 -0.170 0.292 212 I C -2.993 172.961 176.117 -0.272 0.000 1.066 212 I CA -2.197 58.925 61.300 -0.296 0.000 1.053 212 I CB 3.708 41.368 38.000 -0.566 0.000 1.241 212 I HN 0.544 8.699 8.210 -0.091 0.000 0.421 213 A N 7.264 129.977 122.820 -0.178 0.000 2.449 213 A HA 0.902 5.422 4.320 0.151 -0.109 0.302 213 A C -2.413 175.284 177.584 0.188 0.000 1.048 213 A CA -1.453 50.617 52.037 0.054 0.000 0.708 213 A CB 3.944 22.976 19.000 0.054 0.000 1.274 213 A HN 0.848 8.889 8.150 -0.182 0.000 0.410 214 S N 0.336 116.254 115.700 0.364 0.000 2.556 214 S HA 0.702 5.362 4.470 0.317 0.000 0.271 214 S C -1.862 172.816 174.600 0.130 0.000 1.135 214 S CA -1.031 57.360 58.200 0.319 0.000 0.858 214 S CB 3.591 66.999 63.200 0.347 0.000 1.114 214 S HN 0.987 9.451 8.310 0.432 0.105 0.468 215 I N 0.161 120.625 120.570 -0.177 0.000 2.865 215 I HA 0.380 4.424 4.170 -0.210 0.000 0.302 215 I C -2.524 173.498 176.117 -0.158 0.000 1.140 215 I CA -1.351 59.724 61.300 -0.376 0.000 1.021 215 I CB 3.722 41.103 38.000 -1.031 0.000 1.233 215 I HN 0.196 8.349 8.210 -0.094 0.000 0.427 216 T N 6.309 120.817 114.554 -0.076 0.000 2.893 216 T HA 0.337 4.717 4.350 -0.107 -0.095 0.291 216 T C -1.141 173.543 174.700 -0.026 0.000 1.028 216 T CA -2.379 59.707 62.100 -0.023 0.000 0.995 216 T CB 2.082 71.016 68.868 0.111 0.000 1.051 216 T HN 0.209 8.402 8.240 -0.078 0.000 0.470 217 V N 6.141 126.035 119.914 -0.032 0.000 2.752 217 V HA -0.543 3.579 4.120 0.003 0.000 0.306 217 V C 0.483 176.595 176.094 0.031 0.000 1.099 217 V CA 2.582 64.881 62.300 -0.002 0.000 1.240 217 V CB 0.330 32.146 31.823 -0.012 0.000 0.887 217 V HN 0.509 8.664 8.190 -0.059 0.000 0.499 218 G N 5.762 114.595 108.800 0.055 0.000 2.279 218 G HA2 -0.238 3.756 3.960 0.056 0.000 0.223 218 G HA3 -0.238 3.753 3.960 0.052 0.000 0.223 218 G C -1.365 173.605 174.900 0.117 0.000 1.015 218 G CA -0.325 44.816 45.100 0.068 0.000 0.621 218 G HN 0.486 8.813 8.290 0.062 0.000 0.506 219 N N -0.602 118.173 118.700 0.124 0.000 3.278 219 N HA 0.231 5.093 4.740 0.205 0.000 0.307 219 N C -1.917 173.606 175.510 0.023 0.000 1.551 219 N CA -1.006 52.117 53.050 0.121 0.000 0.794 219 N CB 1.702 40.218 38.487 0.049 0.000 1.770 219 N HN -0.183 8.186 8.380 0.087 0.063 0.612 220 K N -2.485 117.820 120.400 -0.159 0.000 2.107 220 K HA 0.061 3.962 4.320 -0.843 -0.086 0.251 220 K C 0.248 176.742 176.600 -0.177 0.000 1.012 220 K CA -0.247 55.795 56.287 -0.407 0.000 0.920 220 K CB 0.971 33.253 32.500 -0.363 0.000 1.033 220 K HN -0.106 8.098 8.250 -0.077 0.000 0.478 221 Y N 0.471 120.652 120.300 -0.198 0.000 2.578 221 Y HA -0.305 4.238 4.550 -0.012 0.000 0.339 221 Y C 0.161 176.049 175.900 -0.019 0.000 1.231 221 Y CA 2.633 60.695 58.100 -0.063 0.000 1.461 221 Y CB 0.708 39.136 38.460 -0.054 0.000 1.323 221 Y HN -0.188 8.042 8.280 -0.084 0.000 0.590 222 R N 3.584 124.266 120.500 0.304 0.000 2.561 222 R HA 0.427 4.857 4.340 0.149 0.000 0.297 222 R C -1.957 174.520 176.300 0.295 0.000 0.969 222 R CA -1.435 54.795 56.100 0.218 0.000 0.879 222 R CB 3.472 33.863 30.300 0.150 0.000 1.178 222 R HN 0.833 9.208 8.270 0.367 0.114 0.445 223 I N 5.549 126.244 120.570 0.208 0.000 2.392 223 I HA 0.034 4.357 4.170 0.256 0.000 0.295 223 I C -0.644 175.641 176.117 0.279 0.000 0.985 223 I CA -1.037 60.394 61.300 0.218 0.000 1.221 223 I CB 1.542 39.601 38.000 0.099 0.000 1.366 223 I HN 0.315 8.610 8.210 0.142 0.000 0.467 224 Y N 7.378 127.691 120.300 0.022 0.000 2.346 224 Y HA -0.111 4.606 4.550 0.037 -0.145 0.330 224 Y C 0.628 176.544 175.900 0.027 0.000 1.178 224 Y CA -0.595 57.520 58.100 0.024 0.000 1.331 224 Y CB 0.574 39.035 38.460 0.001 0.000 1.253 224 Y HN 0.109 8.669 8.280 0.466 0.000 0.529 225 D N 2.175 122.653 120.400 0.130 0.000 2.312 225 D HA 0.022 4.711 4.640 0.081 0.000 0.248 225 D C 0.658 177.019 176.300 0.102 0.000 1.086 225 D CA -0.975 53.077 54.000 0.087 0.000 0.948 225 D CB 1.769 42.595 40.800 0.042 0.000 1.162 225 D HN -0.048 8.360 8.370 0.064 0.000 0.446 226 Q N 1.708 121.552 119.800 0.073 0.000 2.124 226 Q HA -0.493 3.890 4.340 0.072 0.000 0.215 226 Q C 1.662 177.708 176.000 0.078 0.000 1.015 226 Q CA 4.086 59.929 55.803 0.068 0.000 0.890 226 Q CB 0.050 28.814 28.738 0.043 0.000 0.966 226 Q HN 0.660 8.965 8.270 0.058 0.000 0.412 227 E N -2.044 118.193 120.200 0.063 0.000 2.072 227 E HA -0.318 4.061 4.350 0.048 0.000 0.191 227 E C 2.297 178.949 176.600 0.086 0.000 0.985 227 E CA 2.638 59.071 56.400 0.055 0.000 0.801 227 E CB -0.722 28.994 29.700 0.028 0.000 0.750 227 E HN -0.240 8.249 8.360 0.051 -0.098 0.452 228 E N 0.067 120.334 120.200 0.111 0.000 2.058 228 E HA -0.310 4.114 4.350 0.125 0.000 0.194 228 E C 2.352 179.195 176.600 0.404 0.000 0.997 228 E CA 2.724 59.237 56.400 0.188 0.000 0.801 228 E CB -0.026 29.735 29.700 0.102 0.000 0.746 228 E HN -0.552 8.040 8.360 0.088 -0.179 0.450 229 V N 0.018 120.146 119.914 0.358 0.000 2.358 229 V HA -0.463 3.959 4.120 0.502 0.000 0.246 229 V C 1.121 177.392 176.094 0.296 0.000 1.047 229 V CA 3.501 66.018 62.300 0.362 0.000 1.035 229 V CB -0.065 31.869 31.823 0.185 0.000 0.658 229 V HN -0.179 8.169 8.190 0.264 0.000 0.452 230 K N -1.250 119.256 120.400 0.176 0.000 2.281 230 K HA -0.334 4.046 4.320 0.099 0.000 0.203 230 K C 1.772 178.425 176.600 0.089 0.000 1.046 230 K CA 2.841 59.193 56.287 0.109 0.000 0.938 230 K CB -0.399 32.140 32.500 0.066 0.000 0.737 230 K HN -0.214 8.128 8.250 0.154 0.000 0.458 231 K N -2.165 118.289 120.400 0.090 0.000 2.148 231 K HA -0.190 4.083 4.320 -0.080 0.000 0.204 231 K C 1.454 177.948 176.600 -0.176 0.000 1.050 231 K CA 2.582 58.818 56.287 -0.085 0.000 0.942 231 K CB 0.347 32.724 32.500 -0.203 0.000 0.724 231 K HN -0.470 7.710 8.250 0.156 0.163 0.446 232 F N -4.512 115.461 119.950 0.038 0.000 2.569 232 F HA -0.078 4.461 4.527 0.021 0.000 0.295 232 F C 0.622 176.429 175.800 0.011 0.000 1.115 232 F CA 1.056 59.072 58.000 0.026 0.000 1.450 232 F CB 0.514 39.535 39.000 0.036 0.000 1.107 232 F HN -0.666 7.794 8.300 0.447 0.108 0.563 233 L N 0.000 121.335 121.223 0.186 0.000 2.949 233 L HA 0.000 4.398 4.340 0.097 0.000 0.249 233 L CA 0.000 54.901 54.840 0.102 0.000 0.813 233 L CB 0.000 42.109 42.059 0.084 0.000 0.961 233 L HN 0.000 8.224 8.230 0.213 0.134 0.502