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 3kz2_1_B DATA FIRST_RESID 8 DATA SEQUENCE QSTQEELANR FRALVEANEI LQIPGAHDAX AALVARNTGF LALYLSGAAY DATA SEQUENCE TASKGLPDLG IVTSTEVAER ARDLVRATDL PVLVDIDTGF GGVLNVARTA DATA SEQUENCE VEXVEAKVAA VQIEDQQLPK KCGXXNGKKL VTTEELVQKI KAIKEVAPSL DATA SEQUENCE YIVARTDARG VEGLDEAIER ANAYVKAGAD AIFPEALQSE EEFRLFNSKV DATA SEQUENCE NAPLLANXTE FGKTPYYSAE EFANXGFQXV IYPVTSLRVA AKAYENVFTL DATA SEQUENCE IKETGSQKDA LSNXQTRSEL YETISYHDFE ELDTGIAKTV 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 8 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 8 Q C 0.000 175.999 176.000 -0.001 0.000 1.003 8 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 8 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 9 S N 1.393 117.096 115.700 0.004 0.000 2.610 9 S HA 0.567 5.037 4.470 -0.001 0.000 0.273 9 S C -0.154 174.451 174.600 0.008 0.000 1.274 9 S CA -0.009 58.196 58.200 0.008 0.000 1.023 9 S CB 1.335 64.543 63.200 0.014 0.000 0.962 9 S HN 0.482 8.792 8.310 -0.000 0.000 0.523 10 T N 0.457 115.017 114.554 0.010 0.000 2.909 10 T HA 0.190 4.539 4.350 -0.001 0.000 0.289 10 T C 1.203 175.911 174.700 0.013 0.000 1.005 10 T CA -0.608 61.497 62.100 0.009 0.000 1.084 10 T CB 0.935 69.809 68.868 0.009 0.000 0.975 10 T HN 0.468 8.708 8.240 -0.000 0.000 0.509 11 Q N 1.337 121.142 119.800 0.009 0.000 2.084 11 Q HA -0.294 4.045 4.340 -0.001 0.000 0.215 11 Q C 1.880 177.891 176.000 0.019 0.000 1.020 11 Q CA 2.819 58.627 55.803 0.009 0.000 0.887 11 Q CB -0.568 28.172 28.738 0.004 0.000 0.975 11 Q HN 1.022 9.292 8.270 -0.000 0.000 0.413 12 E N -0.380 119.832 120.200 0.021 0.000 2.077 12 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 12 E C 1.842 178.465 176.600 0.037 0.000 0.989 12 E CA 1.384 57.801 56.400 0.029 0.000 0.800 12 E CB 0.041 29.756 29.700 0.025 0.000 0.746 12 E HN 0.496 8.856 8.360 -0.000 0.000 0.452 13 E N 0.343 120.561 120.200 0.030 0.000 2.085 13 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 13 E C 2.305 178.931 176.600 0.043 0.000 0.994 13 E CA 1.035 57.455 56.400 0.033 0.000 0.801 13 E CB -0.158 29.556 29.700 0.024 0.000 0.743 13 E HN 0.366 8.726 8.360 -0.000 0.000 0.453 14 L N 0.509 121.757 121.223 0.040 0.000 2.109 14 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 14 L C 2.544 179.458 176.870 0.072 0.000 1.086 14 L CA 0.821 55.691 54.840 0.050 0.000 0.760 14 L CB -0.326 41.754 42.059 0.035 0.000 0.910 14 L HN 0.139 8.369 8.230 -0.000 0.000 0.437 15 A N -0.234 122.624 122.820 0.064 0.000 1.970 15 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 15 A C 1.880 179.548 177.584 0.141 0.000 1.170 15 A CA 1.200 53.288 52.037 0.085 0.000 0.645 15 A CB -0.330 18.714 19.000 0.073 0.000 0.816 15 A HN 0.372 8.522 8.150 -0.000 0.000 0.447 16 N N -0.615 118.152 118.700 0.111 0.000 2.494 16 N HA -0.012 4.727 4.740 -0.001 0.000 0.182 16 N C 1.632 177.197 175.510 0.092 0.000 1.076 16 N CA 0.583 53.700 53.050 0.111 0.000 0.908 16 N CB -0.249 38.286 38.487 0.079 0.000 0.967 16 N HN 0.545 8.925 8.380 -0.000 0.000 0.449 17 R N -0.346 120.208 120.500 0.089 0.000 2.055 17 R HA 0.035 4.374 4.340 -0.001 0.000 0.228 17 R C 1.740 178.074 176.300 0.057 0.000 1.143 17 R CA 0.706 56.845 56.100 0.065 0.000 0.945 17 R CB -0.408 29.930 30.300 0.064 0.000 0.841 17 R HN 0.024 8.294 8.270 -0.000 0.000 0.429 18 F N 1.568 121.470 119.950 -0.080 0.000 2.053 18 F HA -0.419 4.107 4.527 -0.002 0.000 0.295 18 F C 2.562 178.231 175.800 -0.217 0.000 1.102 18 F CA 2.480 60.371 58.000 -0.180 0.000 1.225 18 F CB -0.321 38.511 39.000 -0.278 0.000 0.961 18 F HN 0.002 8.302 8.300 -0.000 0.000 0.495 19 R N 0.061 120.590 120.500 0.048 0.000 2.103 19 R HA -0.223 4.116 4.340 -0.001 0.000 0.234 19 R C 2.412 178.714 176.300 0.002 0.000 1.132 19 R CA 1.826 57.968 56.100 0.071 0.000 0.925 19 R CB -0.940 29.487 30.300 0.212 0.000 0.842 19 R HN 0.372 8.642 8.270 -0.000 0.000 0.430 20 A N 1.149 123.975 122.820 0.009 0.000 1.903 20 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 20 A C 2.296 179.841 177.584 -0.065 0.000 1.191 20 A CA 1.870 53.900 52.037 -0.013 0.000 0.638 20 A CB -0.905 18.094 19.000 -0.002 0.000 0.823 20 A HN 0.446 8.596 8.150 -0.000 0.000 0.451 21 L N -0.761 120.390 121.223 -0.121 0.000 2.189 21 L HA -0.205 4.134 4.340 -0.001 0.000 0.214 21 L C 2.414 179.157 176.870 -0.212 0.000 1.097 21 L CA 1.202 55.935 54.840 -0.179 0.000 0.764 21 L CB -0.416 41.484 42.059 -0.265 0.000 0.900 21 L HN 0.318 8.548 8.230 -0.000 0.000 0.436 22 V N -0.413 119.359 119.914 -0.236 0.000 2.426 22 V HA -0.152 3.967 4.120 -0.001 0.000 0.242 22 V C 2.031 178.087 176.094 -0.064 0.000 1.036 22 V CA 1.311 63.499 62.300 -0.187 0.000 1.044 22 V CB -0.247 31.465 31.823 -0.185 0.000 0.688 22 V HN 0.493 8.683 8.190 -0.000 0.000 0.462 23 E N 1.412 121.597 120.200 -0.025 0.000 2.478 23 E HA 0.135 4.485 4.350 -0.001 0.000 0.198 23 E C 0.873 177.467 176.600 -0.009 0.000 1.046 23 E CA 0.498 56.901 56.400 0.005 0.000 0.870 23 E CB -0.143 29.573 29.700 0.026 0.000 0.818 23 E HN 0.577 8.937 8.360 -0.000 0.000 0.527 24 A N 1.714 124.516 122.820 -0.030 0.000 2.351 24 A HA 0.118 4.437 4.320 -0.001 0.000 0.257 24 A C 0.846 178.417 177.584 -0.022 0.000 1.087 24 A CA -0.547 51.474 52.037 -0.027 0.000 0.798 24 A CB 0.387 19.363 19.000 -0.039 0.000 1.033 24 A HN 0.077 8.227 8.150 -0.000 0.000 0.488 25 N N 0.485 119.177 118.700 -0.013 0.000 2.216 25 N HA -0.091 4.648 4.740 -0.001 0.000 0.183 25 N C 0.590 176.099 175.510 -0.003 0.000 1.017 25 N CA 0.695 53.741 53.050 -0.006 0.000 0.861 25 N CB -0.077 38.409 38.487 -0.002 0.000 0.986 25 N HN 0.873 9.253 8.380 -0.000 0.000 0.428 26 E N 1.257 121.452 120.200 -0.008 0.000 2.413 26 E HA 0.061 4.411 4.350 -0.001 0.000 0.263 26 E C -0.150 176.445 176.600 -0.008 0.000 1.015 26 E CA -0.277 56.120 56.400 -0.005 0.000 0.916 26 E CB 0.681 30.372 29.700 -0.014 0.000 0.947 26 E HN 0.099 8.459 8.360 -0.000 0.000 0.440 27 I N 4.361 124.939 120.570 0.012 0.000 2.692 27 I HA 0.021 4.190 4.170 -0.001 0.000 0.284 27 I C -0.693 175.418 176.117 -0.010 0.000 1.159 27 I CA -0.293 61.014 61.300 0.011 0.000 1.423 27 I CB 0.521 38.553 38.000 0.054 0.000 1.380 27 I HN 0.487 8.697 8.210 -0.000 0.000 0.580 28 L N 7.863 129.058 121.223 -0.047 0.000 2.257 28 L HA 0.344 4.684 4.340 -0.001 0.000 0.290 28 L C -0.606 176.263 176.870 -0.001 0.000 1.044 28 L CA 0.107 54.912 54.840 -0.058 0.000 0.810 28 L CB 0.905 42.862 42.059 -0.169 0.000 1.193 28 L HN 0.596 8.826 8.230 -0.000 0.000 0.425 29 Q N 6.170 126.037 119.800 0.110 0.000 2.295 29 Q HA 0.428 4.767 4.340 -0.001 0.000 0.259 29 Q C -0.913 175.260 176.000 0.289 0.000 0.976 29 Q CA 0.179 56.149 55.803 0.278 0.000 0.923 29 Q CB 1.559 30.567 28.738 0.449 0.000 1.185 29 Q HN 0.622 8.892 8.270 -0.000 0.000 0.410 30 I N 5.340 126.031 120.570 0.202 0.000 2.495 30 I HA 0.274 4.444 4.170 -0.001 0.000 0.277 30 I C -2.379 173.816 176.117 0.130 0.000 1.045 30 I CA -2.347 59.038 61.300 0.142 0.000 1.135 30 I CB 1.483 39.540 38.000 0.094 0.000 1.241 30 I HN 0.328 8.538 8.210 -0.000 0.000 0.469 31 P HA 0.172 4.592 4.420 -0.000 0.000 0.275 31 P C 0.221 177.566 177.300 0.074 0.000 1.228 31 P CA -0.217 62.847 63.100 -0.060 0.000 0.786 31 P CB 0.809 32.209 31.700 -0.499 0.000 0.927 32 G N 1.458 110.352 108.800 0.157 0.000 2.380 32 G HA2 0.473 4.433 3.960 -0.001 0.000 0.262 32 G HA3 0.473 4.433 3.960 -0.001 0.000 0.262 32 G C -0.622 174.338 174.900 0.101 0.000 1.243 32 G CA -0.335 44.904 45.100 0.232 0.000 0.865 32 G HN 0.568 8.858 8.290 -0.000 0.000 0.513 33 A N 2.735 125.594 122.820 0.066 0.000 2.360 33 A HA 0.539 4.858 4.320 -0.001 0.000 0.309 33 A C 0.625 178.212 177.584 0.005 0.000 1.311 33 A CA -0.595 51.436 52.037 -0.011 0.000 0.805 33 A CB 0.306 19.281 19.000 -0.040 0.000 1.144 33 A HN 1.024 9.174 8.150 -0.000 0.000 0.486 34 H N 0.916 120.022 119.070 0.059 0.000 2.457 34 H HA 0.098 4.653 4.556 -0.001 0.000 0.294 34 H C 0.232 175.616 175.328 0.094 0.000 1.064 34 H CA 1.377 57.477 56.048 0.086 0.000 1.330 34 H CB 0.190 30.007 29.762 0.091 0.000 1.395 34 H HN 0.533 8.813 8.280 -0.000 0.000 0.541 35 D N -0.170 120.063 120.400 -0.278 0.000 2.636 35 D HA 0.500 5.139 4.640 -0.001 0.000 0.275 35 D C -0.037 176.202 176.300 -0.101 0.000 1.130 35 D CA -0.611 53.331 54.000 -0.096 0.000 1.031 35 D CB 0.950 41.729 40.800 -0.034 0.000 1.451 35 D HN 0.334 8.704 8.370 -0.000 0.000 0.505 39 A N 0.239 123.018 122.820 -0.068 0.000 2.014 39 A HA 0.263 4.582 4.320 -0.001 0.000 0.218 39 A C 1.935 179.520 177.584 0.002 0.000 1.163 39 A CA 1.505 53.524 52.037 -0.030 0.000 0.652 39 A CB -0.542 18.447 19.000 -0.018 0.000 0.808 39 A HN 0.519 8.669 8.150 -0.000 0.000 0.449 40 L N -0.597 120.628 121.223 0.004 0.000 2.072 40 L HA -0.113 4.226 4.340 -0.001 0.000 0.205 40 L C 2.417 179.308 176.870 0.035 0.000 1.079 40 L CA 0.899 55.755 54.840 0.026 0.000 0.752 40 L CB -0.346 41.731 42.059 0.029 0.000 0.906 40 L HN 0.245 8.475 8.230 -0.000 0.000 0.436 41 V N -0.238 119.690 119.914 0.022 0.000 2.515 41 V HA -0.219 3.901 4.120 -0.001 0.000 0.250 41 V C 2.690 178.821 176.094 0.062 0.000 1.058 41 V CA 1.522 63.843 62.300 0.034 0.000 1.064 41 V CB -1.041 30.790 31.823 0.014 0.000 0.675 41 V HN 0.444 8.634 8.190 -0.000 0.000 0.461 42 A N 1.237 124.081 122.820 0.039 0.000 1.858 42 A HA -0.261 4.058 4.320 -0.001 0.000 0.216 42 A C 2.414 180.138 177.584 0.233 0.000 1.190 42 A CA 2.158 54.243 52.037 0.080 0.000 0.617 42 A CB -0.579 18.377 19.000 -0.073 0.000 0.827 42 A HN 0.569 8.719 8.150 -0.000 0.000 0.443 43 R N -0.243 120.339 120.500 0.138 0.000 2.091 43 R HA -0.174 4.165 4.340 -0.001 0.000 0.238 43 R C 1.527 177.888 176.300 0.103 0.000 1.136 43 R CA 2.065 58.241 56.100 0.125 0.000 0.959 43 R CB -0.443 29.904 30.300 0.079 0.000 0.856 43 R HN 0.442 8.712 8.270 -0.000 0.000 0.437 44 N N -0.367 118.385 118.700 0.088 0.000 2.309 44 N HA -0.073 4.667 4.740 -0.001 0.000 0.182 44 N C 1.041 176.590 175.510 0.064 0.000 1.018 44 N CA 1.636 54.724 53.050 0.063 0.000 0.876 44 N CB -0.147 38.373 38.487 0.054 0.000 0.972 44 N HN 0.277 8.657 8.380 -0.000 0.000 0.434 45 T N -1.170 113.454 114.554 0.117 0.000 3.088 45 T HA 0.194 4.543 4.350 -0.001 0.000 0.259 45 T C 1.227 175.917 174.700 -0.016 0.000 1.122 45 T CA 0.914 63.080 62.100 0.110 0.000 1.095 45 T CB 0.072 69.106 68.868 0.277 0.000 0.930 45 T HN 0.435 8.675 8.240 -0.000 0.000 0.508 46 G N 0.745 109.550 108.800 0.008 0.000 2.184 46 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.206 46 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.206 46 G C 0.044 174.854 174.900 -0.150 0.000 0.995 46 G CA -0.784 44.252 45.100 -0.107 0.000 0.651 46 G HN 0.454 8.744 8.290 -0.000 0.000 0.511 47 F N 0.069 120.015 119.950 -0.006 0.000 2.450 47 F HA 0.550 5.077 4.527 -0.001 0.000 0.339 47 F C 1.693 177.497 175.800 0.006 0.000 1.146 47 F CA 0.193 58.193 58.000 -0.000 0.000 1.267 47 F CB 0.740 39.745 39.000 0.007 0.000 1.178 47 F HN -0.059 8.241 8.300 -0.000 0.000 0.585 48 L N 1.900 123.232 121.223 0.183 0.000 2.959 48 L HA 0.573 4.912 4.340 -0.001 0.000 0.259 48 L C -0.017 176.915 176.870 0.104 0.000 1.185 48 L CA -0.105 54.791 54.840 0.094 0.000 0.998 48 L CB -0.139 41.935 42.059 0.025 0.000 1.337 48 L HN 0.643 8.873 8.230 -0.000 0.000 0.555 49 A N 0.620 123.532 122.820 0.153 0.000 2.590 49 A HA 0.762 5.081 4.320 -0.001 0.000 0.294 49 A C -1.654 176.030 177.584 0.166 0.000 1.046 49 A CA -0.486 51.650 52.037 0.164 0.000 0.684 49 A CB 1.059 20.162 19.000 0.172 0.000 1.279 49 A HN 0.049 8.199 8.150 -0.000 0.000 0.415 50 L N 0.828 122.146 121.223 0.158 0.000 2.341 50 L HA 0.663 5.002 4.340 -0.001 0.000 0.267 50 L C -0.828 176.152 176.870 0.184 0.000 1.009 50 L CA -0.836 54.081 54.840 0.127 0.000 0.819 50 L CB 1.879 43.978 42.059 0.067 0.000 1.323 50 L HN 0.779 9.009 8.230 -0.000 0.000 0.425 51 Y N 2.177 122.501 120.300 0.040 0.000 2.352 51 Y HA 0.588 5.137 4.550 -0.001 0.000 0.339 51 Y C -0.966 174.959 175.900 0.042 0.000 0.992 51 Y CA -0.925 57.201 58.100 0.043 0.000 1.100 51 Y CB 1.736 40.217 38.460 0.035 0.000 1.192 51 Y HN 0.432 8.712 8.280 -0.000 0.000 0.458 52 L N 6.410 127.319 121.223 -0.522 0.000 2.277 52 L HA 0.471 4.810 4.340 -0.001 0.000 0.284 52 L C -0.407 176.055 176.870 -0.679 0.000 1.028 52 L CA 0.025 54.623 54.840 -0.404 0.000 0.835 52 L CB 0.660 42.578 42.059 -0.236 0.000 1.215 52 L HN 0.618 8.848 8.230 -0.000 0.000 0.425 53 S N 2.654 118.141 115.700 -0.355 0.000 2.586 53 S HA 0.528 4.998 4.470 -0.001 0.000 0.274 53 S C 1.288 175.924 174.600 0.059 0.000 1.281 53 S CA 0.031 58.182 58.200 -0.081 0.000 1.035 53 S CB 1.333 64.718 63.200 0.308 0.000 0.962 53 S HN 0.868 9.178 8.310 -0.000 0.000 0.512 54 G N 2.312 111.172 108.800 0.099 0.000 2.551 54 G HA2 0.162 4.121 3.960 -0.001 0.000 0.216 54 G HA3 0.162 4.121 3.960 -0.001 0.000 0.216 54 G C 1.258 176.276 174.900 0.196 0.000 1.137 54 G CA 0.538 45.737 45.100 0.166 0.000 0.798 54 G HN 0.899 9.189 8.290 -0.000 0.000 0.536 55 A N 0.623 123.540 122.820 0.162 0.000 2.021 55 A HA 0.582 4.902 4.320 -0.001 0.000 0.216 55 A C 2.569 180.223 177.584 0.116 0.000 1.163 55 A CA 1.521 53.636 52.037 0.130 0.000 0.676 55 A CB -0.240 18.833 19.000 0.123 0.000 0.818 55 A HN 0.486 8.636 8.150 -0.000 0.000 0.453 56 A N -1.260 121.648 122.820 0.146 0.000 1.903 56 A HA 0.069 4.389 4.320 -0.001 0.000 0.213 56 A C 2.057 179.710 177.584 0.115 0.000 1.185 56 A CA 1.346 53.455 52.037 0.120 0.000 0.628 56 A CB -0.721 18.385 19.000 0.178 0.000 0.830 56 A HN 0.663 8.813 8.150 -0.000 0.000 0.446 57 Y N 2.038 122.375 120.300 0.061 0.000 2.133 57 Y HA -0.227 4.322 4.550 -0.001 0.000 0.287 57 Y C 2.836 178.762 175.900 0.044 0.000 1.134 57 Y CA 2.716 60.852 58.100 0.061 0.000 1.133 57 Y CB -0.906 37.585 38.460 0.052 0.000 0.987 57 Y HN 0.413 8.693 8.280 -0.000 0.000 0.502 58 T N -0.809 113.698 114.554 -0.077 0.000 2.652 58 T HA -0.262 4.087 4.350 -0.001 0.000 0.267 58 T C 2.156 176.764 174.700 -0.152 0.000 1.039 58 T CA 1.799 63.794 62.100 -0.175 0.000 1.153 58 T CB -1.403 67.477 68.868 0.020 0.000 0.863 58 T HN 0.426 8.666 8.240 -0.000 0.000 0.428 59 A N 2.087 124.868 122.820 -0.065 0.000 1.997 59 A HA -0.121 4.198 4.320 -0.001 0.000 0.221 59 A C 2.761 180.284 177.584 -0.101 0.000 1.172 59 A CA 2.755 54.757 52.037 -0.059 0.000 0.645 59 A CB -1.209 17.772 19.000 -0.031 0.000 0.813 59 A HN 0.850 9.000 8.150 -0.000 0.000 0.454 60 S N -0.816 114.793 115.700 -0.152 0.000 2.395 60 S HA -0.015 4.454 4.470 -0.001 0.000 0.225 60 S C 1.410 175.934 174.600 -0.128 0.000 1.027 60 S CA 0.918 59.029 58.200 -0.149 0.000 0.965 60 S CB -0.179 62.948 63.200 -0.123 0.000 0.812 60 S HN 0.463 8.773 8.310 -0.000 0.000 0.482 61 K N 1.405 121.666 120.400 -0.231 0.000 2.551 61 K HA 0.215 4.535 4.320 -0.001 0.000 0.204 61 K C 0.995 177.522 176.600 -0.122 0.000 1.033 61 K CA 0.492 56.657 56.287 -0.204 0.000 1.187 61 K CB -0.429 31.861 32.500 -0.350 0.000 0.900 61 K HN 0.623 8.873 8.250 -0.000 0.000 0.499 62 G N 1.524 110.273 108.800 -0.085 0.000 2.198 62 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 62 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 62 G C -0.043 174.831 174.900 -0.044 0.000 1.025 62 G CA 0.196 45.268 45.100 -0.047 0.000 0.769 62 G HN 0.276 8.566 8.290 -0.000 0.000 0.507 63 L N -0.526 120.661 121.223 -0.060 0.000 2.333 63 L HA 0.643 4.982 4.340 -0.001 0.000 0.263 63 L C -2.239 174.621 176.870 -0.016 0.000 1.014 63 L CA -2.563 52.255 54.840 -0.038 0.000 0.820 63 L CB 2.481 44.510 42.059 -0.049 0.000 1.352 63 L HN -0.099 8.131 8.230 -0.000 0.000 0.421 64 P HA 0.177 4.597 4.420 -0.000 0.000 0.290 64 P C -1.348 175.973 177.300 0.035 0.000 1.275 64 P CA -0.500 62.611 63.100 0.019 0.000 0.841 64 P CB 0.848 32.559 31.700 0.018 0.000 1.042 65 D N 2.101 122.529 120.400 0.045 0.000 2.470 65 D HA 0.169 4.808 4.640 -0.001 0.000 0.226 65 D C -0.352 175.979 176.300 0.052 0.000 1.196 65 D CA 0.273 54.311 54.000 0.063 0.000 0.979 65 D CB -0.721 40.120 40.800 0.069 0.000 1.059 65 D HN 0.232 8.602 8.370 -0.000 0.000 0.515 66 L N 2.112 123.368 121.223 0.055 0.000 3.165 66 L HA 0.335 4.675 4.340 -0.001 0.000 0.327 66 L C 1.153 178.056 176.870 0.055 0.000 1.294 66 L CA -0.692 54.175 54.840 0.044 0.000 0.838 66 L CB 0.803 42.883 42.059 0.035 0.000 1.274 66 L HN 0.445 8.675 8.230 -0.000 0.000 0.590 67 G N 0.985 109.828 108.800 0.072 0.000 2.395 67 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.300 67 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.300 67 G C 0.461 175.434 174.900 0.121 0.000 0.998 67 G CA 0.509 45.667 45.100 0.097 0.000 1.046 67 G HN 0.539 8.829 8.290 -0.000 0.000 0.513 68 I N 0.108 120.751 120.570 0.122 0.000 3.856 68 I HA 0.229 4.398 4.170 -0.001 0.000 0.330 68 I C 0.760 176.947 176.117 0.116 0.000 1.546 68 I CA -0.132 61.228 61.300 0.101 0.000 1.132 68 I CB 0.582 38.622 38.000 0.066 0.000 1.157 68 I HN 0.240 8.450 8.210 -0.000 0.000 0.440 69 V N -1.207 118.811 119.914 0.173 0.000 2.656 69 V HA 0.571 4.690 4.120 -0.001 0.000 0.307 69 V C 0.315 176.446 176.094 0.062 0.000 1.051 69 V CA -0.414 61.985 62.300 0.165 0.000 0.893 69 V CB 1.330 33.338 31.823 0.308 0.000 0.999 69 V HN 0.302 8.492 8.190 -0.000 0.000 0.426 70 T N 1.765 116.286 114.554 -0.054 0.000 2.855 70 T HA 0.191 4.540 4.350 -0.001 0.000 0.314 70 T C 1.403 175.739 174.700 -0.607 0.000 1.077 70 T CA 0.329 62.280 62.100 -0.247 0.000 1.095 70 T CB 0.900 69.677 68.868 -0.152 0.000 0.987 70 T HN 1.632 9.872 8.240 -0.000 0.000 0.546 71 S N 0.230 115.375 115.700 -0.924 0.000 2.481 71 S HA -0.072 4.397 4.470 -0.001 0.000 0.231 71 S C 1.759 176.077 174.600 -0.471 0.000 0.996 71 S CA 0.719 58.270 58.200 -1.082 0.000 0.942 71 S CB -1.015 61.667 63.200 -0.864 0.000 0.768 71 S HN 0.813 9.123 8.310 -0.000 0.000 0.520 72 T N 2.718 117.082 114.554 -0.316 0.000 2.942 72 T HA -0.006 4.344 4.350 -0.001 0.000 0.265 72 T C 1.750 176.359 174.700 -0.151 0.000 1.062 72 T CA 1.251 63.241 62.100 -0.183 0.000 1.139 72 T CB -0.245 68.550 68.868 -0.121 0.000 0.883 72 T HN 0.891 9.131 8.240 -0.000 0.000 0.468 73 E N 1.258 121.368 120.200 -0.151 0.000 2.442 73 E HA 0.032 4.381 4.350 -0.001 0.000 0.195 73 E C 1.725 178.183 176.600 -0.237 0.000 1.030 73 E CA 0.308 56.662 56.400 -0.077 0.000 0.869 73 E CB -0.297 29.442 29.700 0.066 0.000 0.857 73 E HN 0.277 8.637 8.360 -0.000 0.000 0.505 74 V N 2.014 121.703 119.914 -0.375 0.000 2.256 74 V HA -0.149 3.970 4.120 -0.001 0.000 0.240 74 V C 2.693 178.616 176.094 -0.284 0.000 1.036 74 V CA 1.641 63.654 62.300 -0.479 0.000 1.008 74 V CB -0.909 30.698 31.823 -0.360 0.000 0.648 74 V HN 0.435 8.625 8.190 -0.000 0.000 0.453 75 A N 0.261 122.957 122.820 -0.207 0.000 1.971 75 A HA -0.360 3.959 4.320 -0.001 0.000 0.222 75 A C 2.301 179.821 177.584 -0.107 0.000 1.182 75 A CA 2.545 54.502 52.037 -0.133 0.000 0.649 75 A CB -0.639 18.294 19.000 -0.113 0.000 0.818 75 A HN 0.717 8.867 8.150 -0.000 0.000 0.458 76 E N -0.461 119.676 120.200 -0.106 0.000 2.028 76 E HA -0.260 4.090 4.350 -0.001 0.000 0.191 76 E C 2.204 178.780 176.600 -0.041 0.000 0.988 76 E CA 1.505 57.871 56.400 -0.057 0.000 0.799 76 E CB -0.271 29.409 29.700 -0.034 0.000 0.755 76 E HN 0.443 8.803 8.360 -0.000 0.000 0.447 77 R N 0.749 121.216 120.500 -0.055 0.000 2.189 77 R HA -0.021 4.318 4.340 -0.001 0.000 0.223 77 R C 2.028 178.304 176.300 -0.040 0.000 1.092 77 R CA 1.497 57.591 56.100 -0.011 0.000 0.989 77 R CB -0.607 29.717 30.300 0.040 0.000 0.876 77 R HN 0.278 8.548 8.270 -0.000 0.000 0.457 78 A N 0.587 123.355 122.820 -0.085 0.000 1.854 78 A HA -0.124 4.196 4.320 -0.001 0.000 0.214 78 A C 2.191 179.749 177.584 -0.043 0.000 1.192 78 A CA 1.394 53.387 52.037 -0.074 0.000 0.611 78 A CB -0.630 18.313 19.000 -0.096 0.000 0.832 78 A HN 0.424 8.574 8.150 -0.000 0.000 0.442 79 R N -0.118 120.358 120.500 -0.040 0.000 2.103 79 R HA -0.221 4.118 4.340 -0.001 0.000 0.242 79 R C 1.454 177.749 176.300 -0.008 0.000 1.142 79 R CA 2.179 58.266 56.100 -0.022 0.000 0.960 79 R CB -0.555 29.732 30.300 -0.022 0.000 0.858 79 R HN 0.413 8.683 8.270 -0.000 0.000 0.439 80 D N 0.433 120.831 120.400 -0.004 0.000 2.116 80 D HA -0.180 4.459 4.640 -0.001 0.000 0.193 80 D C 1.837 178.142 176.300 0.009 0.000 0.998 80 D CA 1.194 55.200 54.000 0.009 0.000 0.836 80 D CB -0.185 40.627 40.800 0.019 0.000 0.951 80 D HN 0.169 8.539 8.370 -0.000 0.000 0.449 81 L N 0.131 121.355 121.223 0.001 0.000 2.017 81 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 81 L C 2.539 179.413 176.870 0.008 0.000 1.073 81 L CA 0.956 55.797 54.840 0.001 0.000 0.745 81 L CB -0.874 41.180 42.059 -0.007 0.000 0.894 81 L HN -0.024 8.206 8.230 -0.000 0.000 0.432 82 V N -0.453 119.463 119.914 0.003 0.000 2.287 82 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 82 V C 2.673 178.775 176.094 0.014 0.000 1.053 82 V CA 1.655 63.960 62.300 0.009 0.000 1.027 82 V CB -0.682 31.142 31.823 0.001 0.000 0.646 82 V HN 0.423 8.613 8.190 -0.000 0.000 0.447 83 R N 0.281 120.789 120.500 0.013 0.000 2.105 83 R HA -0.159 4.180 4.340 -0.001 0.000 0.239 83 R C 2.316 178.632 176.300 0.027 0.000 1.135 83 R CA 1.642 57.753 56.100 0.019 0.000 0.967 83 R CB -0.623 29.689 30.300 0.021 0.000 0.861 83 R HN 0.557 8.827 8.270 -0.000 0.000 0.442 84 A N 0.261 123.099 122.820 0.030 0.000 2.067 84 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 84 A C 1.909 179.513 177.584 0.035 0.000 1.156 84 A CA 1.615 53.675 52.037 0.038 0.000 0.683 84 A CB -0.071 18.950 19.000 0.034 0.000 0.808 84 A HN 0.497 8.647 8.150 -0.000 0.000 0.455 85 T N -6.160 108.412 114.554 0.030 0.000 2.966 85 T HA 0.199 4.548 4.350 -0.001 0.000 0.254 85 T C 0.361 175.079 174.700 0.031 0.000 0.961 85 T CA 0.833 62.953 62.100 0.033 0.000 0.915 85 T CB 0.038 68.929 68.868 0.039 0.000 1.186 85 T HN 0.215 8.455 8.240 -0.000 0.000 0.505 86 D N 0.690 121.105 120.400 0.025 0.000 2.751 86 D HA -0.125 4.514 4.640 -0.001 0.000 0.233 86 D C -0.522 175.798 176.300 0.034 0.000 1.149 86 D CA 0.423 54.437 54.000 0.024 0.000 0.682 86 D CB -1.663 39.148 40.800 0.017 0.000 1.068 86 D HN 0.603 8.973 8.370 -0.000 0.000 0.429 87 L N -0.562 120.686 121.223 0.042 0.000 2.334 87 L HA 0.591 4.931 4.340 -0.001 0.000 0.270 87 L C -1.821 175.091 176.870 0.069 0.000 1.018 87 L CA -2.180 52.696 54.840 0.060 0.000 0.811 87 L CB 1.358 43.460 42.059 0.072 0.000 1.271 87 L HN -0.163 8.067 8.230 -0.000 0.000 0.443 88 P HA 0.094 4.514 4.420 -0.000 0.000 0.267 88 P C -1.134 176.247 177.300 0.134 0.000 1.205 88 P CA -0.000 63.184 63.100 0.140 0.000 0.765 88 P CB 0.752 32.618 31.700 0.277 0.000 0.828 89 V N 4.762 124.704 119.914 0.047 0.000 2.604 89 V HA 0.359 4.478 4.120 -0.001 0.000 0.305 89 V C -0.227 175.830 176.094 -0.061 0.000 1.043 89 V CA -0.752 61.563 62.300 0.025 0.000 0.888 89 V CB 1.996 33.814 31.823 -0.008 0.000 0.995 89 V HN 0.323 8.513 8.190 -0.000 0.000 0.429 90 L N 6.234 127.456 121.223 -0.002 0.000 2.276 90 L HA 0.655 4.994 4.340 -0.001 0.000 0.286 90 L C -0.528 176.280 176.870 -0.104 0.000 1.024 90 L CA 0.108 54.920 54.840 -0.046 0.000 0.826 90 L CB 1.423 43.580 42.059 0.163 0.000 1.211 90 L HN 0.465 8.695 8.230 -0.000 0.000 0.422 91 V N 3.872 123.710 119.914 -0.128 0.000 2.394 91 V HA 0.282 4.401 4.120 -0.001 0.000 0.282 91 V C -0.272 175.749 176.094 -0.122 0.000 1.031 91 V CA -0.694 61.502 62.300 -0.173 0.000 0.881 91 V CB 1.403 33.157 31.823 -0.115 0.000 0.982 91 V HN 0.747 8.937 8.190 -0.000 0.000 0.451 92 D N 4.855 125.138 120.400 -0.196 0.000 2.374 92 D HA 0.165 4.804 4.640 -0.001 0.000 0.240 92 D C 0.690 176.980 176.300 -0.016 0.000 1.229 92 D CA -0.379 53.590 54.000 -0.052 0.000 0.895 92 D CB 0.643 41.427 40.800 -0.027 0.000 1.046 92 D HN 0.592 8.962 8.370 -0.000 0.000 0.498 93 I N -0.440 120.122 120.570 -0.013 0.000 3.864 93 I HA 0.293 4.462 4.170 -0.001 0.000 0.326 93 I C 0.430 176.315 176.117 -0.387 0.000 1.444 93 I CA -0.538 60.746 61.300 -0.027 0.000 1.195 93 I CB -0.211 37.844 38.000 0.090 0.000 1.124 93 I HN 0.107 8.317 8.210 -0.000 0.000 0.407 94 D N 2.131 122.373 120.400 -0.264 0.000 4.072 94 D HA -0.305 4.334 4.640 -0.001 0.000 0.146 94 D C 1.415 177.534 176.300 -0.302 0.000 0.777 94 D CA 3.265 57.082 54.000 -0.305 0.000 1.099 94 D CB -0.930 39.595 40.800 -0.458 0.000 0.497 94 D HN 0.564 8.934 8.370 -0.000 0.000 0.483 95 T N -2.083 112.234 114.554 -0.395 0.000 3.069 95 T HA 0.488 4.837 4.350 -0.001 0.000 0.252 95 T C 1.406 175.955 174.700 -0.251 0.000 1.053 95 T CA 0.932 62.873 62.100 -0.265 0.000 0.964 95 T CB 0.775 69.523 68.868 -0.200 0.000 1.005 95 T HN 1.159 9.399 8.240 -0.000 0.000 0.532 96 G N 1.473 110.053 108.800 -0.368 0.000 2.176 96 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.232 96 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.232 96 G C 0.336 175.255 174.900 0.032 0.000 0.986 96 G CA -0.386 44.634 45.100 -0.133 0.000 0.643 96 G HN 0.574 8.864 8.290 -0.000 0.000 0.522 97 F N -1.423 118.515 119.950 -0.021 0.000 3.056 97 F HA 0.112 4.638 4.527 -0.001 0.000 0.301 97 F C 1.520 177.313 175.800 -0.012 0.000 0.907 97 F CA 1.899 59.891 58.000 -0.014 0.000 1.113 97 F CB -1.395 37.594 39.000 -0.017 0.000 1.123 97 F HN 1.861 10.161 8.300 -0.000 0.000 0.661 98 G N -1.164 107.678 108.800 0.070 0.000 2.260 98 G HA2 0.478 4.438 3.960 -0.001 0.000 0.250 98 G HA3 0.478 4.438 3.960 -0.001 0.000 0.250 98 G C 0.288 175.200 174.900 0.020 0.000 1.340 98 G CA -0.149 44.981 45.100 0.050 0.000 1.056 98 G HN 0.930 9.220 8.290 -0.000 0.000 0.471 99 G N -1.165 107.647 108.800 0.021 0.000 2.590 99 G HA2 0.487 4.446 3.960 -0.001 0.000 0.276 99 G HA3 0.487 4.446 3.960 -0.001 0.000 0.276 99 G C 1.592 176.497 174.900 0.007 0.000 1.337 99 G CA 1.232 46.338 45.100 0.010 0.000 1.030 99 G HN 1.534 9.824 8.290 -0.000 0.000 0.534 100 V N -0.493 119.423 119.914 0.003 0.000 2.688 100 V HA -0.165 3.955 4.120 -0.001 0.000 0.256 100 V C 2.598 178.696 176.094 0.007 0.000 1.084 100 V CA 1.713 64.013 62.300 0.001 0.000 1.103 100 V CB -0.972 30.851 31.823 -0.000 0.000 0.688 100 V HN 0.457 8.647 8.190 -0.000 0.000 0.480 101 L N 0.604 121.834 121.223 0.011 0.000 2.209 101 L HA 0.100 4.439 4.340 -0.001 0.000 0.207 101 L C 2.041 178.923 176.870 0.020 0.000 1.094 101 L CA 1.312 56.160 54.840 0.013 0.000 0.790 101 L CB -1.031 41.035 42.059 0.011 0.000 0.932 101 L HN 0.272 8.502 8.230 -0.000 0.000 0.447 102 N N -0.354 118.366 118.700 0.032 0.000 2.376 102 N HA -0.063 4.676 4.740 -0.001 0.000 0.177 102 N C 1.741 177.290 175.510 0.067 0.000 1.024 102 N CA 0.664 53.745 53.050 0.053 0.000 0.893 102 N CB -0.369 38.166 38.487 0.081 0.000 0.980 102 N HN 0.077 8.457 8.380 -0.000 0.000 0.439 103 V N 0.700 120.642 119.914 0.048 0.000 2.515 103 V HA -0.086 4.033 4.120 -0.001 0.000 0.250 103 V C 2.283 178.393 176.094 0.027 0.000 1.058 103 V CA 1.615 63.939 62.300 0.039 0.000 1.064 103 V CB -0.980 30.846 31.823 0.007 0.000 0.675 103 V HN 0.347 8.537 8.190 -0.000 0.000 0.461 104 A N 0.697 123.527 122.820 0.018 0.000 1.873 104 A HA -0.214 4.105 4.320 -0.001 0.000 0.215 104 A C 2.356 179.945 177.584 0.010 0.000 1.186 104 A CA 1.992 54.035 52.037 0.010 0.000 0.616 104 A CB -0.464 18.540 19.000 0.006 0.000 0.823 104 A HN 0.497 8.647 8.150 -0.000 0.000 0.442 105 R N -0.539 119.968 120.500 0.012 0.000 2.070 105 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 105 R C 2.187 178.489 176.300 0.004 0.000 1.138 105 R CA 2.434 58.536 56.100 0.003 0.000 0.936 105 R CB -1.139 29.161 30.300 -0.001 0.000 0.839 105 R HN 0.411 8.681 8.270 -0.000 0.000 0.429 106 T N 0.807 115.376 114.554 0.024 0.000 2.624 106 T HA -0.335 4.014 4.350 -0.001 0.000 0.266 106 T C 1.850 176.563 174.700 0.023 0.000 1.050 106 T CA 2.070 64.195 62.100 0.041 0.000 1.163 106 T CB -0.811 68.148 68.868 0.151 0.000 0.861 106 T HN 0.542 8.782 8.240 -0.000 0.000 0.443 107 A N 0.476 123.309 122.820 0.022 0.000 1.892 107 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 107 A C 2.621 180.203 177.584 -0.003 0.000 1.188 107 A CA 1.817 53.859 52.037 0.007 0.000 0.631 107 A CB -1.079 17.923 19.000 0.003 0.000 0.822 107 A HN 0.386 8.536 8.150 -0.000 0.000 0.447 108 V N 0.082 119.993 119.914 -0.004 0.000 2.809 108 V HA -0.094 4.025 4.120 -0.001 0.000 0.256 108 V C 1.341 177.425 176.094 -0.016 0.000 1.080 108 V CA 1.028 63.323 62.300 -0.009 0.000 1.102 108 V CB -0.609 31.209 31.823 -0.008 0.000 0.705 108 V HN 0.572 8.762 8.190 -0.000 0.000 0.475 112 E N 1.370 121.560 120.200 -0.017 0.000 2.171 112 E HA -0.208 4.141 4.350 -0.001 0.000 0.197 112 E C 1.766 178.355 176.600 -0.018 0.000 0.997 112 E CA 1.628 58.019 56.400 -0.016 0.000 0.810 112 E CB -0.099 29.590 29.700 -0.019 0.000 0.738 112 E HN 0.646 9.006 8.360 -0.000 0.000 0.467 113 A N 0.548 123.354 122.820 -0.024 0.000 2.307 113 A HA 0.023 4.342 4.320 -0.001 0.000 0.218 113 A C 0.331 177.903 177.584 -0.021 0.000 1.228 113 A CA -0.006 52.016 52.037 -0.025 0.000 0.857 113 A CB -0.126 18.852 19.000 -0.037 0.000 0.897 113 A HN 0.151 8.301 8.150 -0.000 0.000 0.495 114 K N -0.956 119.434 120.400 -0.017 0.000 3.117 114 K HA -0.121 4.198 4.320 -0.001 0.000 0.269 114 K C -0.309 176.280 176.600 -0.018 0.000 1.098 114 K CA 0.500 56.780 56.287 -0.012 0.000 0.785 114 K CB -2.365 30.132 32.500 -0.005 0.000 1.242 114 K HN 0.290 8.540 8.250 -0.000 0.000 0.491 115 V N 0.219 120.115 119.914 -0.030 0.000 2.924 115 V HA 0.204 4.323 4.120 -0.001 0.000 0.305 115 V C 1.678 177.738 176.094 -0.058 0.000 1.073 115 V CA 0.902 63.173 62.300 -0.048 0.000 1.098 115 V CB 1.519 33.305 31.823 -0.061 0.000 1.000 115 V HN 0.501 8.691 8.190 -0.000 0.000 0.484 116 A N 2.820 125.578 122.820 -0.102 0.000 1.887 116 A HA 0.703 5.022 4.320 -0.001 0.000 0.210 116 A C 0.942 178.387 177.584 -0.231 0.000 1.221 116 A CA 0.946 52.897 52.037 -0.144 0.000 0.635 116 A CB -0.038 18.866 19.000 -0.161 0.000 0.881 116 A HN 1.171 9.321 8.150 -0.000 0.000 0.456 117 A N -0.843 121.756 122.820 -0.368 0.000 2.498 117 A HA 0.640 4.959 4.320 -0.001 0.000 0.298 117 A C -0.626 176.865 177.584 -0.155 0.000 1.075 117 A CA -0.035 51.822 52.037 -0.300 0.000 0.714 117 A CB 1.268 19.851 19.000 -0.695 0.000 1.299 117 A HN 1.142 9.292 8.150 -0.000 0.000 0.407 118 V N -1.025 118.859 119.914 -0.050 0.000 2.960 118 V HA 0.802 4.921 4.120 -0.001 0.000 0.315 118 V C -0.412 175.702 176.094 0.034 0.000 1.087 118 V CA -0.718 61.573 62.300 -0.015 0.000 0.982 118 V CB 1.606 33.423 31.823 -0.010 0.000 1.039 118 V HN 0.997 9.187 8.190 -0.000 0.000 0.437 119 Q N 2.084 121.915 119.800 0.052 0.000 2.327 119 Q HA 0.667 5.006 4.340 -0.001 0.000 0.270 119 Q C -1.834 174.183 176.000 0.028 0.000 1.022 119 Q CA -0.528 55.331 55.803 0.093 0.000 0.773 119 Q CB 2.289 31.150 28.738 0.206 0.000 1.251 119 Q HN 0.940 9.210 8.270 -0.000 0.000 0.457 120 I N 2.515 123.076 120.570 -0.015 0.000 2.648 120 I HA 0.436 4.605 4.170 -0.001 0.000 0.304 120 I C -0.733 175.313 176.117 -0.119 0.000 1.009 120 I CA -0.510 60.738 61.300 -0.086 0.000 1.114 120 I CB 1.884 39.816 38.000 -0.113 0.000 1.293 120 I HN 0.706 8.916 8.210 -0.000 0.000 0.449 121 E N 3.507 123.621 120.200 -0.144 0.000 2.235 121 E HA 0.185 4.534 4.350 -0.001 0.000 0.265 121 E C -0.587 175.923 176.600 -0.149 0.000 0.940 121 E CA -0.644 55.669 56.400 -0.145 0.000 0.819 121 E CB 1.570 31.193 29.700 -0.128 0.000 1.206 121 E HN 0.558 8.918 8.360 -0.000 0.000 0.409 122 D N 0.733 121.067 120.400 -0.109 0.000 2.234 122 D HA -0.069 4.570 4.640 -0.001 0.000 0.205 122 D C 0.008 176.283 176.300 -0.043 0.000 0.962 122 D CA 0.749 54.720 54.000 -0.049 0.000 0.855 122 D CB 0.230 41.051 40.800 0.035 0.000 0.951 122 D HN 0.334 8.704 8.370 -0.000 0.000 0.500 123 Q N 0.800 120.564 119.800 -0.060 0.000 2.394 123 Q HA -0.095 4.244 4.340 -0.001 0.000 0.347 123 Q C 0.478 176.451 176.000 -0.045 0.000 1.144 123 Q CA 0.698 56.471 55.803 -0.050 0.000 1.050 123 Q CB 0.434 29.134 28.738 -0.062 0.000 1.188 123 Q HN 0.170 8.440 8.270 -0.000 0.000 0.406 124 Q N 3.634 123.416 119.800 -0.029 0.000 2.325 124 Q HA 0.410 4.749 4.340 -0.001 0.000 0.262 124 Q C -1.783 174.204 176.000 -0.023 0.000 0.968 124 Q CA -0.324 55.465 55.803 -0.024 0.000 0.877 124 Q CB 0.667 29.398 28.738 -0.011 0.000 1.253 124 Q HN 0.562 8.832 8.270 -0.000 0.000 0.448 125 L N 4.343 125.550 121.223 -0.026 0.000 2.341 125 L HA 0.640 4.979 4.340 -0.001 0.000 0.267 125 L C -1.958 174.907 176.870 -0.008 0.000 1.009 125 L CA -1.900 52.929 54.840 -0.018 0.000 0.819 125 L CB 1.768 43.810 42.059 -0.028 0.000 1.323 125 L HN 0.616 8.846 8.230 -0.000 0.000 0.425 126 P HA 0.344 4.764 4.420 -0.000 0.000 0.279 126 P C -1.383 175.919 177.300 0.003 0.000 1.276 126 P CA -0.887 62.215 63.100 0.004 0.000 0.801 126 P CB 0.618 32.326 31.700 0.012 0.000 1.127 127 K N 0.606 121.009 120.400 0.004 0.000 2.144 127 K HA 0.216 4.536 4.320 -0.001 0.000 0.270 127 K C 0.323 176.926 176.600 0.006 0.000 1.005 127 K CA -0.757 55.533 56.287 0.004 0.000 0.932 127 K CB 0.683 33.186 32.500 0.004 0.000 1.021 127 K HN 0.420 8.670 8.250 -0.000 0.000 0.462 128 K N 2.698 123.101 120.400 0.005 0.000 2.187 128 K HA 0.004 4.324 4.320 -0.001 0.000 0.247 128 K C 0.377 176.981 176.600 0.007 0.000 1.019 128 K CA -0.306 55.985 56.287 0.006 0.000 0.893 128 K CB 0.579 33.083 32.500 0.005 0.000 1.025 128 K HN 0.729 8.979 8.250 -0.000 0.000 0.500 129 C N 1.811 121.115 119.300 0.007 0.000 2.413 129 C HA 0.038 4.497 4.460 -0.001 0.000 0.292 129 C C 1.203 176.197 174.990 0.007 0.000 1.435 129 C CA 0.933 59.956 59.018 0.007 0.000 1.791 129 C CB -1.671 26.073 27.740 0.007 0.000 1.784 129 C HN 0.766 8.996 8.230 -0.000 0.000 0.548 134 G N 0.203 109.008 108.800 0.008 0.000 2.316 134 G HA2 0.548 4.507 3.960 -0.001 0.000 0.296 134 G HA3 0.548 4.507 3.960 -0.001 0.000 0.296 134 G C -1.992 172.910 174.900 0.003 0.000 1.399 134 G CA -0.689 44.415 45.100 0.006 0.000 0.833 134 G HN 0.454 8.744 8.290 -0.000 0.000 0.565 135 K N -0.092 120.309 120.400 0.002 0.000 2.582 135 K HA 0.562 4.881 4.320 -0.001 0.000 0.259 135 K C -1.368 175.232 176.600 -0.001 0.000 0.973 135 K CA -0.802 55.484 56.287 -0.001 0.000 0.880 135 K CB 2.366 34.865 32.500 -0.001 0.000 1.310 135 K HN 0.609 8.859 8.250 -0.000 0.000 0.443 136 K N 2.589 122.988 120.400 -0.003 0.000 2.575 136 K HA 0.563 4.882 4.320 -0.001 0.000 0.279 136 K C -1.836 174.763 176.600 -0.002 0.000 0.969 136 K CA -0.601 55.686 56.287 -0.000 0.000 0.868 136 K CB 1.357 33.857 32.500 0.001 0.000 1.457 136 K HN 0.461 8.711 8.250 -0.000 0.000 0.426 137 L N 2.114 123.340 121.223 0.004 0.000 2.303 137 L HA 0.665 5.004 4.340 -0.001 0.000 0.266 137 L C 0.400 177.276 176.870 0.010 0.000 1.011 137 L CA -1.501 53.344 54.840 0.008 0.000 0.818 137 L CB 1.775 43.848 42.059 0.022 0.000 1.326 137 L HN 0.588 8.818 8.230 -0.000 0.000 0.435 138 V N -2.324 117.597 119.914 0.012 0.000 3.610 138 V HA 0.521 4.640 4.120 -0.001 0.000 0.285 138 V C 0.430 176.543 176.094 0.032 0.000 1.012 138 V CA -0.408 61.900 62.300 0.013 0.000 0.975 138 V CB 1.100 32.923 31.823 0.000 0.000 1.247 138 V HN 0.915 9.105 8.190 -0.000 0.000 0.424 139 T N -2.661 111.913 114.554 0.033 0.000 2.899 139 T HA 0.288 4.637 4.350 -0.001 0.000 0.284 139 T C 0.972 175.719 174.700 0.079 0.000 1.004 139 T CA 0.394 62.521 62.100 0.045 0.000 1.043 139 T CB 0.924 69.810 68.868 0.031 0.000 1.013 139 T HN 0.811 9.051 8.240 -0.000 0.000 0.518 140 T N 0.727 115.335 114.554 0.091 0.000 2.788 140 T HA -0.123 4.226 4.350 -0.001 0.000 0.268 140 T C 1.804 176.590 174.700 0.143 0.000 1.044 140 T CA 1.530 63.722 62.100 0.153 0.000 1.139 140 T CB -0.315 68.592 68.868 0.064 0.000 0.867 140 T HN 0.871 9.111 8.240 -0.000 0.000 0.454 141 E N 1.626 121.872 120.200 0.077 0.000 2.072 141 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 141 E C 2.035 178.664 176.600 0.049 0.000 0.985 141 E CA 1.373 57.807 56.400 0.057 0.000 0.801 141 E CB -0.199 29.521 29.700 0.034 0.000 0.750 141 E HN 0.620 8.980 8.360 -0.000 0.000 0.452 142 E N 0.078 120.303 120.200 0.041 0.000 2.023 142 E HA -0.207 4.142 4.350 -0.001 0.000 0.196 142 E C 2.237 178.840 176.600 0.004 0.000 1.003 142 E CA 1.409 57.821 56.400 0.019 0.000 0.809 142 E CB -0.139 29.569 29.700 0.013 0.000 0.755 142 E HN 0.264 8.624 8.360 -0.000 0.000 0.449 143 L N 0.223 121.450 121.223 0.007 0.000 2.217 143 L HA -0.067 4.272 4.340 -0.001 0.000 0.211 143 L C 2.079 178.905 176.870 -0.073 0.000 1.107 143 L CA 1.146 55.941 54.840 -0.076 0.000 0.783 143 L CB -0.259 41.697 42.059 -0.172 0.000 0.919 143 L HN 0.053 8.283 8.230 -0.000 0.000 0.442 144 V N -0.462 119.476 119.914 0.040 0.000 2.427 144 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 144 V C 2.523 178.629 176.094 0.020 0.000 1.051 144 V CA 1.678 64.018 62.300 0.067 0.000 1.048 144 V CB -0.409 31.488 31.823 0.123 0.000 0.666 144 V HN 0.552 8.742 8.190 -0.000 0.000 0.456 145 Q N -0.411 119.396 119.800 0.012 0.000 2.119 145 Q HA -0.218 4.121 4.340 -0.001 0.000 0.201 145 Q C 2.310 178.303 176.000 -0.012 0.000 0.972 145 Q CA 1.403 57.208 55.803 0.003 0.000 0.847 145 Q CB -0.178 28.563 28.738 0.004 0.000 0.903 145 Q HN 0.572 8.842 8.270 -0.000 0.000 0.433 146 K N 0.458 120.842 120.400 -0.028 0.000 2.097 146 K HA -0.083 4.236 4.320 -0.001 0.000 0.205 146 K C 1.937 178.510 176.600 -0.046 0.000 1.050 146 K CA 0.936 57.199 56.287 -0.040 0.000 0.938 146 K CB 0.013 32.475 32.500 -0.063 0.000 0.718 146 K HN 0.198 8.448 8.250 -0.000 0.000 0.442 147 I N 0.844 121.381 120.570 -0.056 0.000 2.439 147 I HA -0.235 3.934 4.170 -0.001 0.000 0.251 147 I C 2.140 178.241 176.117 -0.026 0.000 1.139 147 I CA 1.072 62.341 61.300 -0.051 0.000 1.438 147 I CB -0.019 37.948 38.000 -0.056 0.000 1.085 147 I HN 0.125 8.335 8.210 -0.000 0.000 0.427 148 K N 0.804 121.196 120.400 -0.014 0.000 2.062 148 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 148 K C 2.285 178.880 176.600 -0.009 0.000 1.051 148 K CA 1.266 57.549 56.287 -0.006 0.000 0.941 148 K CB -0.154 32.347 32.500 0.001 0.000 0.719 148 K HN 0.250 8.500 8.250 -0.000 0.000 0.440 149 A N 1.480 124.294 122.820 -0.010 0.000 1.892 149 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 149 A C 2.102 179.681 177.584 -0.009 0.000 1.188 149 A CA 1.589 53.621 52.037 -0.008 0.000 0.631 149 A CB -0.674 18.322 19.000 -0.007 0.000 0.822 149 A HN 0.206 8.356 8.150 -0.000 0.000 0.447 150 I N -0.578 119.984 120.570 -0.015 0.000 2.142 150 I HA -0.260 3.910 4.170 -0.001 0.000 0.240 150 I C 2.502 178.610 176.117 -0.015 0.000 1.078 150 I CA 1.444 62.735 61.300 -0.015 0.000 1.343 150 I CB -0.215 37.771 38.000 -0.022 0.000 1.046 150 I HN 0.189 8.399 8.210 -0.000 0.000 0.405 151 K N 0.366 120.755 120.400 -0.018 0.000 2.044 151 K HA -0.275 4.045 4.320 -0.001 0.000 0.210 151 K C 2.037 178.631 176.600 -0.010 0.000 1.049 151 K CA 1.837 58.114 56.287 -0.017 0.000 0.927 151 K CB -0.389 32.100 32.500 -0.018 0.000 0.713 151 K HN 0.274 8.524 8.250 -0.000 0.000 0.443 152 E N 0.883 121.079 120.200 -0.008 0.000 2.038 152 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 152 E C 1.964 178.562 176.600 -0.004 0.000 1.000 152 E CA 1.432 57.830 56.400 -0.004 0.000 0.803 152 E CB -0.252 29.446 29.700 -0.003 0.000 0.750 152 E HN -0.003 8.357 8.360 -0.000 0.000 0.448 153 V N -0.268 119.643 119.914 -0.004 0.000 2.379 153 V HA 0.141 4.260 4.120 -0.001 0.000 0.243 153 V C 1.247 177.340 176.094 -0.003 0.000 1.035 153 V CA 1.392 63.690 62.300 -0.003 0.000 1.035 153 V CB -0.038 31.784 31.823 -0.002 0.000 0.673 153 V HN 0.397 8.587 8.190 -0.000 0.000 0.457 154 A N 0.128 122.946 122.820 -0.004 0.000 3.232 154 A HA 0.501 4.821 4.320 -0.001 0.000 0.312 154 A C -1.481 176.101 177.584 -0.004 0.000 1.185 154 A CA -0.972 51.063 52.037 -0.004 0.000 1.011 154 A CB -0.079 18.919 19.000 -0.005 0.000 1.096 154 A HN 0.399 8.549 8.150 -0.000 0.000 0.543 155 P HA -0.168 4.252 4.420 -0.000 0.000 0.220 155 P C 1.289 178.593 177.300 0.007 0.000 1.144 155 P CA 1.740 64.840 63.100 -0.001 0.000 0.800 155 P CB 0.076 31.777 31.700 0.002 0.000 0.772 156 S N -1.931 113.775 115.700 0.011 0.000 2.607 156 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 156 S C 0.646 175.264 174.600 0.031 0.000 0.969 156 S CA 0.183 58.396 58.200 0.021 0.000 0.927 156 S CB -0.437 62.772 63.200 0.016 0.000 0.772 156 S HN -0.006 8.304 8.310 -0.000 0.000 0.533 157 L N 1.892 123.127 121.223 0.020 0.000 2.282 157 L HA 0.453 4.792 4.340 -0.001 0.000 0.288 157 L C -0.569 176.324 176.870 0.039 0.000 1.033 157 L CA -1.561 53.292 54.840 0.022 0.000 0.807 157 L CB 0.398 42.456 42.059 -0.002 0.000 1.209 157 L HN 0.232 8.462 8.230 -0.000 0.000 0.423 158 Y N 5.020 125.281 120.300 -0.065 0.000 2.544 158 Y HA 0.264 4.813 4.550 -0.001 0.000 0.330 158 Y C 0.148 176.008 175.900 -0.066 0.000 1.136 158 Y CA 0.334 58.401 58.100 -0.055 0.000 1.417 158 Y CB 0.336 38.731 38.460 -0.108 0.000 1.229 158 Y HN 0.402 8.682 8.280 -0.000 0.000 0.532 159 I N 7.125 127.571 120.570 -0.206 0.000 2.339 159 I HA 0.308 4.477 4.170 -0.001 0.000 0.290 159 I C -1.011 175.087 176.117 -0.031 0.000 0.994 159 I CA -0.948 60.301 61.300 -0.084 0.000 1.191 159 I CB 1.282 39.222 38.000 -0.101 0.000 1.343 159 I HN 0.224 8.434 8.210 -0.000 0.000 0.458 160 V N 5.261 125.232 119.914 0.096 0.000 2.495 160 V HA 0.640 4.760 4.120 -0.001 0.000 0.298 160 V C 0.221 176.383 176.094 0.113 0.000 1.031 160 V CA -0.558 61.840 62.300 0.163 0.000 0.871 160 V CB 1.750 33.731 31.823 0.264 0.000 0.988 160 V HN 0.848 9.038 8.190 -0.000 0.000 0.432 161 A N 4.945 127.836 122.820 0.119 0.000 2.287 161 A HA 0.795 5.115 4.320 -0.001 0.000 0.317 161 A C -0.173 177.473 177.584 0.104 0.000 1.220 161 A CA -0.682 51.380 52.037 0.042 0.000 0.835 161 A CB 0.647 19.654 19.000 0.012 0.000 1.180 161 A HN 0.902 9.052 8.150 -0.000 0.000 0.500 162 R N 1.789 122.292 120.500 0.004 0.000 2.295 162 R HA 0.567 4.906 4.340 -0.001 0.000 0.324 162 R C -0.658 175.584 176.300 -0.097 0.000 0.968 162 R CA 0.072 56.120 56.100 -0.086 0.000 0.837 162 R CB 1.235 31.405 30.300 -0.216 0.000 1.133 162 R HN 0.590 8.861 8.270 -0.000 0.000 0.450 163 T N 1.755 116.282 114.554 -0.045 0.000 2.823 163 T HA 0.286 4.636 4.350 -0.001 0.000 0.279 163 T C -0.535 174.123 174.700 -0.069 0.000 0.998 163 T CA -0.678 61.450 62.100 0.047 0.000 0.994 163 T CB 1.101 70.109 68.868 0.233 0.000 0.960 163 T HN 0.739 8.979 8.240 -0.000 0.000 0.448 164 D N 3.613 123.987 120.400 -0.043 0.000 2.623 164 D HA 0.250 4.889 4.640 -0.001 0.000 0.252 164 D C 1.392 177.683 176.300 -0.014 0.000 1.294 164 D CA -0.098 53.864 54.000 -0.064 0.000 0.824 164 D CB 0.828 41.579 40.800 -0.081 0.000 1.070 164 D HN 0.612 8.982 8.370 -0.000 0.000 0.487 165 A N 1.023 123.854 122.820 0.018 0.000 1.968 165 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 165 A C 2.212 179.812 177.584 0.026 0.000 1.169 165 A CA 0.861 52.916 52.037 0.029 0.000 0.638 165 A CB -0.089 18.939 19.000 0.046 0.000 0.812 165 A HN 0.041 8.191 8.150 -0.000 0.000 0.446 166 R N 0.379 120.896 120.500 0.027 0.000 2.159 166 R HA -0.189 4.151 4.340 -0.001 0.000 0.249 166 R C 1.990 178.302 176.300 0.020 0.000 1.136 166 R CA 2.479 58.596 56.100 0.028 0.000 0.951 166 R CB -1.395 28.913 30.300 0.015 0.000 0.876 166 R HN 0.396 8.666 8.270 -0.000 0.000 0.440 167 G N -1.482 107.323 108.800 0.009 0.000 2.494 167 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.216 167 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.216 167 G C 1.307 176.212 174.900 0.009 0.000 1.140 167 G CA 0.558 45.663 45.100 0.009 0.000 0.801 167 G HN 0.326 8.616 8.290 -0.000 0.000 0.536 168 V N -0.884 119.035 119.914 0.009 0.000 2.922 168 V HA 0.311 4.430 4.120 -0.001 0.000 0.242 168 V C 1.920 178.021 176.094 0.012 0.000 1.094 168 V CA 1.571 63.876 62.300 0.009 0.000 1.106 168 V CB 0.464 32.291 31.823 0.007 0.000 0.799 168 V HN 0.345 8.535 8.190 -0.000 0.000 0.474 169 E N -0.357 119.853 120.200 0.016 0.000 2.434 169 E HA 0.448 4.798 4.350 -0.001 0.000 0.207 169 E C 0.731 177.344 176.600 0.021 0.000 0.929 169 E CA 0.539 56.949 56.400 0.018 0.000 1.001 169 E CB 1.284 30.995 29.700 0.019 0.000 1.016 169 E HN 0.728 9.088 8.360 -0.000 0.000 0.502 170 G N 0.842 109.659 108.800 0.027 0.000 2.612 170 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.686 170 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.686 170 G C 0.041 174.972 174.900 0.053 0.000 1.274 170 G CA -0.277 44.843 45.100 0.034 0.000 0.849 170 G HN 0.118 8.408 8.290 -0.000 0.000 0.595 171 L N -0.012 121.250 121.223 0.066 0.000 2.141 171 L HA 0.115 4.454 4.340 -0.001 0.000 0.209 171 L C 2.270 179.204 176.870 0.106 0.000 1.094 171 L CA 3.075 57.983 54.840 0.112 0.000 0.763 171 L CB -0.432 41.699 42.059 0.120 0.000 0.908 171 L HN 0.670 8.900 8.230 -0.000 0.000 0.437 172 D N -0.694 119.740 120.400 0.058 0.000 2.097 172 D HA -0.241 4.398 4.640 -0.001 0.000 0.197 172 D C 1.997 178.306 176.300 0.015 0.000 0.984 172 D CA 1.391 55.408 54.000 0.029 0.000 0.826 172 D CB -0.133 40.675 40.800 0.013 0.000 0.973 172 D HN 0.455 8.825 8.370 -0.000 0.000 0.460 173 E N 0.545 120.755 120.200 0.017 0.000 2.208 173 E HA 0.004 4.353 4.350 -0.001 0.000 0.193 173 E C 1.830 178.431 176.600 0.002 0.000 0.988 173 E CA 0.918 57.318 56.400 -0.001 0.000 0.828 173 E CB -0.182 29.521 29.700 0.004 0.000 0.763 173 E HN 0.221 8.581 8.360 -0.000 0.000 0.478 174 A N 0.371 123.225 122.820 0.057 0.000 1.930 174 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 174 A C 2.187 179.858 177.584 0.144 0.000 1.175 174 A CA 1.231 53.338 52.037 0.117 0.000 0.627 174 A CB -0.483 18.624 19.000 0.180 0.000 0.815 174 A HN 0.346 8.496 8.150 -0.000 0.000 0.443 175 I N -0.611 120.019 120.570 0.099 0.000 2.233 175 I HA -0.155 4.014 4.170 -0.001 0.000 0.243 175 I C 2.410 178.447 176.117 -0.134 0.000 1.093 175 I CA 0.984 62.238 61.300 -0.077 0.000 1.380 175 I CB -0.231 37.678 38.000 -0.153 0.000 1.067 175 I HN 0.210 8.420 8.210 -0.000 0.000 0.413 176 E N 0.949 121.085 120.200 -0.106 0.000 2.118 176 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 176 E C 2.310 178.777 176.600 -0.221 0.000 0.992 176 E CA 1.224 57.545 56.400 -0.132 0.000 0.804 176 E CB -0.216 29.430 29.700 -0.090 0.000 0.741 176 E HN 0.468 8.828 8.360 -0.000 0.000 0.458 177 R N 0.172 120.500 120.500 -0.287 0.000 2.075 177 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 177 R C 2.281 177.956 176.300 -1.042 0.000 1.126 177 R CA 1.122 56.829 56.100 -0.655 0.000 0.963 177 R CB -0.258 29.734 30.300 -0.513 0.000 0.858 177 R HN 0.078 8.348 8.270 -0.000 0.000 0.435 178 A N 1.265 123.807 122.820 -0.463 0.000 2.014 178 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 178 A C 1.588 179.101 177.584 -0.119 0.000 1.163 178 A CA 1.167 53.105 52.037 -0.165 0.000 0.652 178 A CB -0.212 18.853 19.000 0.109 0.000 0.808 178 A HN 0.208 8.358 8.150 -0.000 0.000 0.449 179 N N 0.201 118.794 118.700 -0.179 0.000 2.333 179 N HA 0.048 4.788 4.740 -0.001 0.000 0.178 179 N C 1.822 177.278 175.510 -0.090 0.000 1.018 179 N CA 1.218 54.199 53.050 -0.115 0.000 0.882 179 N CB -0.421 37.992 38.487 -0.124 0.000 0.984 179 N HN 0.409 8.789 8.380 -0.000 0.000 0.434 180 A N 0.323 123.048 122.820 -0.158 0.000 1.933 180 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 180 A C 1.607 179.227 177.584 0.060 0.000 1.175 180 A CA 1.020 53.006 52.037 -0.085 0.000 0.628 180 A CB -0.722 18.193 19.000 -0.141 0.000 0.814 180 A HN 0.217 8.367 8.150 -0.000 0.000 0.444 181 Y N -0.459 119.844 120.300 0.004 0.000 2.242 181 Y HA -0.068 4.481 4.550 -0.001 0.000 0.291 181 Y C 2.574 178.473 175.900 -0.001 0.000 1.137 181 Y CA 0.482 58.586 58.100 0.007 0.000 1.181 181 Y CB -1.037 37.436 38.460 0.023 0.000 0.989 181 Y HN 0.105 8.385 8.280 -0.000 0.000 0.527 182 V N -0.176 119.825 119.914 0.145 0.000 2.548 182 V HA -0.178 3.941 4.120 -0.001 0.000 0.249 182 V C 2.452 178.569 176.094 0.037 0.000 1.055 182 V CA 1.205 63.546 62.300 0.069 0.000 1.065 182 V CB -0.357 31.488 31.823 0.038 0.000 0.681 182 V HN 0.204 8.394 8.190 -0.000 0.000 0.462 183 K N 0.706 121.126 120.400 0.033 0.000 2.032 183 K HA -0.126 4.193 4.320 -0.001 0.000 0.209 183 K C 2.129 178.745 176.600 0.027 0.000 1.048 183 K CA 1.799 58.097 56.287 0.019 0.000 0.927 183 K CB -0.548 31.959 32.500 0.012 0.000 0.712 183 K HN 0.479 8.729 8.250 -0.000 0.000 0.441 184 A N -0.769 122.082 122.820 0.051 0.000 2.123 184 A HA 0.164 4.484 4.320 -0.001 0.000 0.214 184 A C 1.296 178.892 177.584 0.019 0.000 1.152 184 A CA 1.454 53.515 52.037 0.041 0.000 0.728 184 A CB 0.123 19.163 19.000 0.067 0.000 0.814 184 A HN 0.422 8.572 8.150 -0.000 0.000 0.464 185 G N -2.496 106.314 108.800 0.016 0.000 2.200 185 G HA2 0.275 4.235 3.960 -0.001 0.000 0.145 185 G HA3 0.275 4.235 3.960 -0.001 0.000 0.145 185 G C 0.268 175.144 174.900 -0.040 0.000 1.021 185 G CA -0.051 45.040 45.100 -0.014 0.000 0.720 185 G HN 1.307 9.597 8.290 -0.000 0.000 0.494 186 A N 0.517 123.328 122.820 -0.015 0.000 2.546 186 A HA 0.479 4.798 4.320 -0.001 0.000 0.243 186 A C 1.100 178.641 177.584 -0.072 0.000 1.063 186 A CA 0.996 53.012 52.037 -0.035 0.000 0.757 186 A CB 0.254 19.276 19.000 0.038 0.000 0.991 186 A HN 0.252 8.402 8.150 -0.000 0.000 0.503 187 D N 0.844 121.124 120.400 -0.200 0.000 2.346 187 D HA 0.320 4.959 4.640 -0.001 0.000 0.206 187 D C 0.699 176.956 176.300 -0.071 0.000 1.001 187 D CA 1.427 55.259 54.000 -0.279 0.000 0.871 187 D CB 0.405 40.696 40.800 -0.848 0.000 0.943 187 D HN 0.695 9.065 8.370 -0.000 0.000 0.518 188 A N 0.496 123.339 122.820 0.038 0.000 2.568 188 A HA 0.683 5.002 4.320 -0.001 0.000 0.291 188 A C -1.555 176.142 177.584 0.189 0.000 1.159 188 A CA -0.733 51.411 52.037 0.178 0.000 0.679 188 A CB 1.486 20.684 19.000 0.329 0.000 1.285 188 A HN 0.094 8.244 8.150 -0.000 0.000 0.428 189 I N -2.262 118.447 120.570 0.231 0.000 2.913 189 I HA 0.738 4.907 4.170 -0.001 0.000 0.302 189 I C -1.515 174.805 176.117 0.338 0.000 1.246 189 I CA -0.657 60.812 61.300 0.281 0.000 1.010 189 I CB 2.145 40.330 38.000 0.308 0.000 1.259 189 I HN 0.761 8.971 8.210 -0.000 0.000 0.434 190 F N 6.828 126.853 119.950 0.124 0.000 2.382 190 F HA 0.684 5.210 4.527 -0.002 0.000 0.361 190 F C -2.584 173.226 175.800 0.016 0.000 1.109 190 F CA -2.442 55.586 58.000 0.048 0.000 1.031 190 F CB 1.940 40.952 39.000 0.020 0.000 1.234 190 F HN 0.317 8.617 8.300 -0.000 0.000 0.445 191 P HA 0.155 4.575 4.420 -0.000 0.000 0.270 191 P C -1.074 176.216 177.300 -0.016 0.000 1.551 191 P CA -0.254 62.815 63.100 -0.052 0.000 1.049 191 P CB 1.178 32.519 31.700 -0.598 0.000 1.397 192 E N 4.047 124.126 120.200 -0.202 0.000 2.299 192 E HA 0.374 4.723 4.350 -0.001 0.000 0.272 192 E C 0.467 177.048 176.600 -0.032 0.000 1.043 192 E CA 0.083 56.394 56.400 -0.148 0.000 0.895 192 E CB -0.323 29.154 29.700 -0.371 0.000 1.011 192 E HN 0.555 8.915 8.360 -0.000 0.000 0.432 193 A N 4.314 127.165 122.820 0.052 0.000 3.002 193 A HA -0.170 4.149 4.320 -0.001 0.000 0.272 193 A C -0.026 177.613 177.584 0.092 0.000 1.421 193 A CA 0.366 52.445 52.037 0.069 0.000 0.766 193 A CB -2.269 16.750 19.000 0.033 0.000 1.034 193 A HN 0.553 8.703 8.150 -0.000 0.000 0.541 194 L N -0.820 120.498 121.223 0.159 0.000 2.485 194 L HA 0.071 4.411 4.340 -0.001 0.000 0.275 194 L C 1.684 178.659 176.870 0.176 0.000 1.207 194 L CA 0.561 55.528 54.840 0.212 0.000 0.855 194 L CB 0.586 42.908 42.059 0.438 0.000 1.114 194 L HN 0.685 8.915 8.230 -0.000 0.000 0.485 195 Q N 0.920 120.731 119.800 0.020 0.000 2.376 195 Q HA 0.084 4.424 4.340 -0.001 0.000 0.206 195 Q C 0.349 176.255 176.000 -0.156 0.000 0.921 195 Q CA 0.261 56.045 55.803 -0.031 0.000 0.911 195 Q CB 0.730 29.457 28.738 -0.019 0.000 1.032 195 Q HN 0.683 8.953 8.270 -0.000 0.000 0.510 196 S N -2.089 113.391 115.700 -0.366 0.000 2.752 196 S HA 0.227 4.696 4.470 -0.001 0.000 0.284 196 S C -0.165 173.697 174.600 -1.230 0.000 1.189 196 S CA -0.588 57.265 58.200 -0.578 0.000 0.835 196 S CB 0.656 63.692 63.200 -0.274 0.000 1.192 196 S HN 0.180 8.490 8.310 -0.000 0.000 0.506 197 E N 0.477 120.205 120.200 -0.786 0.000 2.150 197 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 197 E C 0.975 177.480 176.600 -0.159 0.000 0.985 197 E CA 0.691 56.804 56.400 -0.478 0.000 0.814 197 E CB 0.003 29.675 29.700 -0.046 0.000 0.752 197 E HN 0.394 8.754 8.360 -0.000 0.000 0.466 198 E N 0.998 121.111 120.200 -0.144 0.000 2.216 198 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 198 E C 1.640 178.243 176.600 0.006 0.000 0.988 198 E CA 0.610 56.990 56.400 -0.033 0.000 0.834 198 E CB 0.140 29.822 29.700 -0.030 0.000 0.772 198 E HN 0.331 8.691 8.360 -0.000 0.000 0.479 199 E N -0.576 119.590 120.200 -0.055 0.000 2.107 199 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 199 E C 1.714 178.471 176.600 0.262 0.000 0.982 199 E CA 0.319 56.759 56.400 0.067 0.000 0.809 199 E CB -0.058 29.647 29.700 0.008 0.000 0.756 199 E HN 0.160 8.520 8.360 -0.000 0.000 0.459 200 F N 1.288 121.301 119.950 0.105 0.000 1.997 200 F HA -0.195 4.331 4.527 -0.002 0.000 0.296 200 F C 2.615 178.460 175.800 0.074 0.000 1.160 200 F CA 1.440 59.504 58.000 0.107 0.000 1.176 200 F CB -1.365 37.710 39.000 0.125 0.000 0.964 200 F HN -0.029 8.271 8.300 -0.000 0.000 0.484 201 R N 0.372 121.028 120.500 0.260 0.000 2.112 201 R HA -0.222 4.117 4.340 -0.001 0.000 0.242 201 R C 2.180 178.543 176.300 0.106 0.000 1.137 201 R CA 1.702 57.878 56.100 0.127 0.000 0.944 201 R CB -1.018 29.335 30.300 0.088 0.000 0.857 201 R HN 0.239 8.509 8.270 -0.000 0.000 0.435 202 L N 0.026 121.319 121.223 0.117 0.000 2.042 202 L HA -0.110 4.230 4.340 -0.001 0.000 0.210 202 L C 2.092 179.025 176.870 0.105 0.000 1.076 202 L CA 1.775 56.668 54.840 0.089 0.000 0.749 202 L CB -0.729 41.381 42.059 0.085 0.000 0.893 202 L HN 0.325 8.555 8.230 -0.000 0.000 0.432 203 F N 0.248 120.223 119.950 0.041 0.000 2.098 203 F HA -0.212 4.315 4.527 -0.000 0.000 0.294 203 F C 2.416 178.209 175.800 -0.012 0.000 1.107 203 F CA 1.664 59.684 58.000 0.033 0.000 1.234 203 F CB -0.396 38.655 39.000 0.085 0.000 1.002 203 F HN 0.317 8.617 8.300 -0.000 0.000 0.472 204 N N -0.161 118.662 118.700 0.205 0.000 2.417 204 N HA -0.223 4.516 4.740 -0.001 0.000 0.187 204 N C 1.732 177.203 175.510 -0.065 0.000 1.027 204 N CA 1.461 54.521 53.050 0.017 0.000 0.891 204 N CB -0.349 38.089 38.487 -0.081 0.000 0.956 204 N HN 0.368 8.748 8.380 -0.000 0.000 0.442 205 S N -0.225 115.443 115.700 -0.054 0.000 2.356 205 S HA 0.052 4.521 4.470 -0.001 0.000 0.219 205 S C 1.372 175.910 174.600 -0.103 0.000 1.036 205 S CA 0.651 58.814 58.200 -0.062 0.000 0.965 205 S CB -0.115 63.068 63.200 -0.028 0.000 0.864 205 S HN 0.413 8.723 8.310 -0.000 0.000 0.471 206 K N 0.743 121.051 120.400 -0.152 0.000 2.444 206 K HA 0.234 4.553 4.320 -0.001 0.000 0.193 206 K C -0.467 175.995 176.600 -0.229 0.000 1.024 206 K CA 0.032 56.220 56.287 -0.164 0.000 1.077 206 K CB 0.613 33.023 32.500 -0.150 0.000 0.833 206 K HN 0.228 8.478 8.250 -0.000 0.000 0.517 207 V N 1.812 121.541 119.914 -0.309 0.000 2.495 207 V HA 0.158 4.277 4.120 -0.001 0.000 0.298 207 V C -0.567 175.424 176.094 -0.171 0.000 1.031 207 V CA -1.115 60.995 62.300 -0.316 0.000 0.871 207 V CB 1.592 33.052 31.823 -0.606 0.000 0.988 207 V HN 0.089 8.279 8.190 -0.000 0.000 0.432 208 N N 3.149 121.785 118.700 -0.107 0.000 3.194 208 N HA 0.680 5.419 4.740 -0.001 0.000 0.271 208 N C -0.615 174.882 175.510 -0.021 0.000 1.308 208 N CA 0.263 53.279 53.050 -0.058 0.000 1.042 208 N CB 0.751 39.209 38.487 -0.050 0.000 1.310 208 N HN 1.044 9.424 8.380 -0.000 0.000 0.502 209 A N 1.738 124.556 122.820 -0.003 0.000 2.581 209 A HA 0.446 4.765 4.320 -0.001 0.000 0.294 209 A C -2.927 174.693 177.584 0.060 0.000 1.035 209 A CA -0.944 51.115 52.037 0.038 0.000 0.684 209 A CB 0.309 19.343 19.000 0.056 0.000 1.282 209 A HN 0.259 8.409 8.150 -0.000 0.000 0.417 210 P HA 0.325 4.745 4.420 -0.000 0.000 0.262 210 P C -0.781 176.595 177.300 0.128 0.000 1.182 210 P CA 0.244 63.402 63.100 0.096 0.000 0.761 210 P CB 0.202 31.987 31.700 0.141 0.000 0.795 211 L N 4.194 125.478 121.223 0.102 0.000 2.322 211 L HA 0.487 4.826 4.340 -0.001 0.000 0.279 211 L C -0.191 176.815 176.870 0.228 0.000 1.036 211 L CA -0.439 54.500 54.840 0.165 0.000 0.807 211 L CB 1.182 43.251 42.059 0.017 0.000 1.226 211 L HN 0.284 8.514 8.230 -0.000 0.000 0.433 212 L N 2.540 123.866 121.223 0.171 0.000 2.334 212 L HA 0.839 5.178 4.340 -0.001 0.000 0.276 212 L C -0.479 176.156 176.870 -0.391 0.000 1.014 212 L CA -0.316 54.452 54.840 -0.119 0.000 0.815 212 L CB 1.627 43.540 42.059 -0.243 0.000 1.268 212 L HN 0.729 8.959 8.230 -0.000 0.000 0.428 213 A N 3.627 125.932 122.820 -0.859 0.000 2.303 213 A HA 0.522 4.841 4.320 -0.001 0.000 0.320 213 A C -0.702 176.215 177.584 -1.113 0.000 1.192 213 A CA -0.645 50.614 52.037 -1.296 0.000 0.821 213 A CB 0.937 18.567 19.000 -2.282 0.000 1.188 213 A HN 0.757 8.907 8.150 -0.000 0.000 0.492 217 E N 0.782 120.969 120.200 -0.022 0.000 2.222 217 E HA 0.675 5.024 4.350 -0.001 0.000 0.272 217 E C -0.396 176.087 176.600 -0.196 0.000 0.982 217 E CA -0.505 55.761 56.400 -0.225 0.000 0.842 217 E CB 0.304 29.599 29.700 -0.676 0.000 1.144 217 E HN 0.602 8.962 8.360 -0.000 0.000 0.397 218 F N -0.930 119.147 119.950 0.211 0.000 3.034 218 F HA -0.200 4.327 4.527 -0.001 0.000 0.286 218 F C 0.695 176.533 175.800 0.063 0.000 0.804 218 F CA 0.916 58.992 58.000 0.125 0.000 1.161 218 F CB -1.882 37.177 39.000 0.098 0.000 1.317 218 F HN 0.503 8.803 8.300 -0.000 0.000 0.453 219 G N -0.121 108.744 108.800 0.108 0.000 3.107 219 G HA2 0.633 4.592 3.960 -0.001 0.000 0.232 219 G HA3 0.633 4.592 3.960 -0.001 0.000 0.232 219 G C 0.406 175.312 174.900 0.010 0.000 1.339 219 G CA -0.782 44.358 45.100 0.067 0.000 1.033 219 G HN 0.152 8.442 8.290 -0.000 0.000 0.567 220 K N -0.351 120.058 120.400 0.016 0.000 2.410 220 K HA 0.232 4.552 4.320 -0.001 0.000 0.200 220 K C -0.160 176.449 176.600 0.015 0.000 1.023 220 K CA 0.198 56.493 56.287 0.013 0.000 1.149 220 K CB 0.718 33.237 32.500 0.032 0.000 0.859 220 K HN 0.238 8.488 8.250 -0.000 0.000 0.514 221 T N 2.899 117.445 114.554 -0.014 0.000 2.794 221 T HA 0.316 4.665 4.350 -0.001 0.000 0.280 221 T C -2.355 172.213 174.700 -0.220 0.000 0.987 221 T CA -1.665 60.439 62.100 0.007 0.000 0.993 221 T CB 1.723 70.646 68.868 0.092 0.000 0.939 221 T HN -0.036 8.204 8.240 -0.000 0.000 0.449 222 P HA 0.296 4.716 4.420 -0.000 0.000 0.289 222 P C -0.978 175.998 177.300 -0.539 0.000 1.299 222 P CA -0.665 62.124 63.100 -0.518 0.000 0.766 222 P CB 0.441 31.907 31.700 -0.390 0.000 1.226 223 Y N -1.254 118.911 120.300 -0.225 0.000 2.888 223 Y HA 0.296 4.845 4.550 -0.001 0.000 0.341 223 Y C -0.001 175.791 175.900 -0.180 0.000 1.241 223 Y CA -0.373 57.659 58.100 -0.114 0.000 1.440 223 Y CB -1.086 37.329 38.460 -0.075 0.000 1.517 223 Y HN 0.159 8.439 8.280 -0.000 0.000 0.518 224 Y N 0.109 120.333 120.300 -0.127 0.000 2.497 224 Y HA 0.108 4.657 4.550 -0.001 0.000 0.334 224 Y C 1.293 177.115 175.900 -0.131 0.000 1.199 224 Y CA -0.390 57.506 58.100 -0.339 0.000 1.425 224 Y CB 0.595 38.387 38.460 -1.114 0.000 1.291 224 Y HN 0.435 8.715 8.280 -0.000 0.000 0.562 225 S N 1.321 117.069 115.700 0.079 0.000 2.572 225 S HA 0.141 4.611 4.470 -0.001 0.000 0.267 225 S C 1.284 176.002 174.600 0.197 0.000 1.361 225 S CA -0.415 57.865 58.200 0.134 0.000 1.009 225 S CB 0.884 64.135 63.200 0.087 0.000 0.888 225 S HN 0.866 9.176 8.310 -0.000 0.000 0.553 226 A N 0.680 123.659 122.820 0.263 0.000 1.969 226 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 226 A C 2.198 179.906 177.584 0.206 0.000 1.169 226 A CA 1.194 53.411 52.037 0.301 0.000 0.635 226 A CB -0.789 18.358 19.000 0.244 0.000 0.810 226 A HN 0.839 8.989 8.150 -0.000 0.000 0.445 227 E N 0.226 120.505 120.200 0.132 0.000 2.077 227 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 227 E C 1.890 178.543 176.600 0.088 0.000 0.989 227 E CA 1.305 57.762 56.400 0.094 0.000 0.800 227 E CB -0.324 29.414 29.700 0.064 0.000 0.746 227 E HN 0.770 9.130 8.360 -0.000 0.000 0.452 228 E N -0.547 119.689 120.200 0.060 0.000 2.110 228 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 228 E C 1.895 178.466 176.600 -0.048 0.000 0.988 228 E CA 0.601 57.014 56.400 0.022 0.000 0.804 228 E CB -0.157 29.585 29.700 0.071 0.000 0.745 228 E HN 0.167 8.527 8.360 -0.000 0.000 0.458 229 F N 0.719 120.666 119.950 -0.005 0.000 2.186 229 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 229 F C 2.360 178.231 175.800 0.119 0.000 1.090 229 F CA 1.079 59.050 58.000 -0.048 0.000 1.307 229 F CB -0.600 38.288 39.000 -0.188 0.000 1.019 229 F HN -0.006 8.294 8.300 -0.000 0.000 0.489 230 A N -0.471 122.504 122.820 0.258 0.000 1.969 230 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 230 A C 1.429 179.079 177.584 0.109 0.000 1.169 230 A CA 0.675 52.813 52.037 0.168 0.000 0.635 230 A CB -0.749 18.319 19.000 0.113 0.000 0.810 230 A HN 0.247 8.397 8.150 -0.000 0.000 0.445 234 F N 2.087 122.017 119.950 -0.032 0.000 2.399 234 F HA 0.626 5.153 4.527 -0.001 0.000 0.342 234 F C 0.851 176.610 175.800 -0.068 0.000 1.106 234 F CA -0.152 57.797 58.000 -0.085 0.000 1.196 234 F CB 1.131 40.017 39.000 -0.190 0.000 1.163 234 F HN -0.109 8.191 8.300 -0.000 0.000 0.547 238 I N 3.331 123.448 120.570 -0.755 0.000 2.676 238 I HA 0.720 4.889 4.170 -0.001 0.000 0.309 238 I C -1.207 174.424 176.117 -0.809 0.000 0.990 238 I CA -0.747 60.156 61.300 -0.662 0.000 1.168 238 I CB 2.114 39.622 38.000 -0.820 0.000 1.343 238 I HN 0.675 8.885 8.210 -0.000 0.000 0.482 239 Y N 3.068 123.231 120.300 -0.228 0.000 2.748 239 Y HA 0.386 4.936 4.550 -0.001 0.000 0.359 239 Y C -2.120 173.739 175.900 -0.069 0.000 1.030 239 Y CA -1.726 56.297 58.100 -0.128 0.000 1.169 239 Y CB 0.395 38.798 38.460 -0.094 0.000 1.127 239 Y HN 0.465 8.745 8.280 -0.000 0.000 0.644 240 P HA -0.239 4.181 4.420 -0.000 0.000 0.211 240 P C 1.216 178.657 177.300 0.234 0.000 1.181 240 P CA 2.085 65.257 63.100 0.121 0.000 0.929 240 P CB 0.262 32.004 31.700 0.068 0.000 0.789 241 V N -6.073 113.942 119.914 0.167 0.000 3.176 241 V HA 0.254 4.373 4.120 -0.001 0.000 0.332 241 V C 1.321 177.492 176.094 0.128 0.000 1.414 241 V CA 0.228 62.623 62.300 0.157 0.000 1.133 241 V CB -0.858 31.047 31.823 0.137 0.000 1.088 241 V HN -0.035 8.155 8.190 -0.000 0.000 0.473 242 T N 1.789 116.416 114.554 0.120 0.000 2.833 242 T HA -0.158 4.191 4.350 -0.001 0.000 0.269 242 T C 2.037 176.778 174.700 0.068 0.000 1.054 242 T CA 2.330 64.481 62.100 0.084 0.000 1.135 242 T CB -0.212 68.697 68.868 0.068 0.000 0.869 242 T HN 0.882 9.122 8.240 -0.000 0.000 0.466 243 S N 0.999 116.759 115.700 0.101 0.000 2.446 243 S HA 0.094 4.563 4.470 -0.001 0.000 0.225 243 S C 1.959 176.683 174.600 0.205 0.000 1.016 243 S CA 0.180 58.455 58.200 0.124 0.000 0.943 243 S CB -0.481 62.789 63.200 0.118 0.000 0.786 243 S HN 0.319 8.629 8.310 -0.000 0.000 0.508 244 L N 1.690 123.014 121.223 0.169 0.000 2.156 244 L HA 0.186 4.526 4.340 -0.001 0.000 0.208 244 L C 2.595 179.421 176.870 -0.074 0.000 1.095 244 L CA 1.327 56.115 54.840 -0.087 0.000 0.770 244 L CB -0.356 41.592 42.059 -0.185 0.000 0.914 244 L HN 0.175 8.405 8.230 -0.000 0.000 0.439 245 R N -0.773 119.728 120.500 0.001 0.000 2.075 245 R HA -0.097 4.242 4.340 -0.001 0.000 0.232 245 R C 2.198 178.479 176.300 -0.032 0.000 1.126 245 R CA 1.700 57.809 56.100 0.015 0.000 0.963 245 R CB -0.723 29.640 30.300 0.104 0.000 0.858 245 R HN 0.499 8.769 8.270 -0.000 0.000 0.435 246 V N -1.642 118.251 119.914 -0.035 0.000 2.453 246 V HA 0.006 4.126 4.120 -0.001 0.000 0.247 246 V C 2.323 178.313 176.094 -0.174 0.000 1.048 246 V CA 1.516 63.774 62.300 -0.071 0.000 1.049 246 V CB -0.845 30.952 31.823 -0.043 0.000 0.672 246 V HN 0.214 8.404 8.190 -0.000 0.000 0.457 247 A N 1.048 123.739 122.820 -0.216 0.000 1.883 247 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 247 A C 2.518 179.479 177.584 -1.038 0.000 1.186 247 A CA 2.792 54.547 52.037 -0.470 0.000 0.624 247 A CB -1.164 17.674 19.000 -0.269 0.000 0.822 247 A HN 0.961 9.111 8.150 -0.000 0.000 0.444 248 A N -0.281 122.124 122.820 -0.691 0.000 1.858 248 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 248 A C 2.110 179.523 177.584 -0.283 0.000 1.190 248 A CA 2.120 53.844 52.037 -0.522 0.000 0.617 248 A CB -0.495 18.407 19.000 -0.164 0.000 0.827 248 A HN 0.506 8.656 8.150 -0.000 0.000 0.443 249 K N -0.237 120.052 120.400 -0.184 0.000 2.360 249 K HA 0.012 4.331 4.320 -0.001 0.000 0.201 249 K C 1.816 178.354 176.600 -0.104 0.000 1.046 249 K CA 1.119 57.350 56.287 -0.093 0.000 0.945 249 K CB -0.263 32.203 32.500 -0.058 0.000 0.750 249 K HN 0.393 8.643 8.250 -0.000 0.000 0.464 250 A N -0.170 122.537 122.820 -0.188 0.000 1.930 250 A HA -0.084 4.235 4.320 -0.001 0.000 0.215 250 A C 1.571 179.097 177.584 -0.096 0.000 1.176 250 A CA 0.847 52.800 52.037 -0.140 0.000 0.632 250 A CB -0.596 18.308 19.000 -0.159 0.000 0.819 250 A HN 0.305 8.455 8.150 -0.000 0.000 0.445 251 Y N 0.089 120.262 120.300 -0.212 0.000 2.114 251 Y HA -0.192 4.358 4.550 -0.001 0.000 0.284 251 Y C 2.370 178.066 175.900 -0.341 0.000 1.143 251 Y CA 0.953 58.796 58.100 -0.428 0.000 1.135 251 Y CB -1.230 37.099 38.460 -0.217 0.000 0.980 251 Y HN 0.574 8.854 8.280 -0.000 0.000 0.499 252 E N 0.117 120.364 120.200 0.077 0.000 2.130 252 E HA -0.256 4.093 4.350 -0.001 0.000 0.196 252 E C 1.772 178.410 176.600 0.064 0.000 0.998 252 E CA 1.586 58.049 56.400 0.106 0.000 0.806 252 E CB -0.030 29.711 29.700 0.068 0.000 0.738 252 E HN 0.360 8.720 8.360 -0.000 0.000 0.459 253 N N -0.001 118.699 118.700 0.000 0.000 2.135 253 N HA -0.117 4.622 4.740 -0.001 0.000 0.186 253 N C 1.704 177.215 175.510 0.002 0.000 1.027 253 N CA 1.025 54.075 53.050 0.001 0.000 0.849 253 N CB -0.386 38.089 38.487 -0.019 0.000 1.002 253 N HN 0.076 8.456 8.380 -0.000 0.000 0.425 254 V N 0.530 120.405 119.914 -0.065 0.000 2.719 254 V HA -0.062 4.057 4.120 -0.001 0.000 0.252 254 V C 1.486 177.613 176.094 0.054 0.000 1.065 254 V CA 0.945 63.213 62.300 -0.053 0.000 1.086 254 V CB -0.415 31.331 31.823 -0.128 0.000 0.700 254 V HN 0.003 8.193 8.190 -0.000 0.000 0.467 255 F N 0.967 120.944 119.950 0.045 0.000 2.053 255 F HA -0.068 4.458 4.527 -0.001 0.000 0.292 255 F C 2.675 178.487 175.800 0.020 0.000 1.125 255 F CA 1.879 59.895 58.000 0.026 0.000 1.193 255 F CB -1.763 37.254 39.000 0.027 0.000 0.996 255 F HN 0.081 8.381 8.300 -0.000 0.000 0.470 256 T N 1.425 116.121 114.554 0.238 0.000 2.718 256 T HA -0.267 4.082 4.350 -0.001 0.000 0.266 256 T C 2.006 176.762 174.700 0.092 0.000 1.033 256 T CA 1.754 63.929 62.100 0.126 0.000 1.151 256 T CB -0.727 68.195 68.868 0.090 0.000 0.853 256 T HN 0.148 8.388 8.240 -0.000 0.000 0.466 257 L N 0.304 121.582 121.223 0.091 0.000 2.093 257 L HA 0.130 4.470 4.340 -0.001 0.000 0.208 257 L C 2.054 178.965 176.870 0.068 0.000 1.085 257 L CA 1.529 56.407 54.840 0.064 0.000 0.755 257 L CB -0.448 41.641 42.059 0.049 0.000 0.904 257 L HN 0.266 8.496 8.230 -0.000 0.000 0.435 258 I N -0.855 119.776 120.570 0.101 0.000 2.584 258 I HA -0.146 4.024 4.170 -0.001 0.000 0.255 258 I C 2.324 178.477 176.117 0.059 0.000 1.145 258 I CA 0.736 62.088 61.300 0.087 0.000 1.462 258 I CB -0.125 37.954 38.000 0.131 0.000 1.102 258 I HN 0.201 8.411 8.210 -0.000 0.000 0.433 259 K N 1.178 121.615 120.400 0.062 0.000 2.116 259 K HA -0.093 4.226 4.320 -0.001 0.000 0.203 259 K C 1.841 178.456 176.600 0.025 0.000 1.052 259 K CA 1.483 57.788 56.287 0.029 0.000 0.952 259 K CB 0.033 32.546 32.500 0.022 0.000 0.729 259 K HN 0.263 8.513 8.250 -0.000 0.000 0.446 260 E N -1.269 118.950 120.200 0.033 0.000 2.170 260 E HA -0.038 4.311 4.350 -0.001 0.000 0.191 260 E C 1.322 177.935 176.600 0.021 0.000 0.981 260 E CA 1.094 57.509 56.400 0.025 0.000 0.830 260 E CB 0.335 30.051 29.700 0.027 0.000 0.775 260 E HN 0.206 8.566 8.360 -0.000 0.000 0.470 261 T N -1.419 113.150 114.554 0.026 0.000 3.034 261 T HA 0.149 4.498 4.350 -0.001 0.000 0.248 261 T C 1.181 175.892 174.700 0.019 0.000 1.040 261 T CA 0.823 62.937 62.100 0.022 0.000 1.107 261 T CB 0.574 69.457 68.868 0.024 0.000 0.932 261 T HN 0.388 8.627 8.240 -0.000 0.000 0.474 262 G N 1.049 109.862 108.800 0.023 0.000 2.176 262 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.253 262 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.253 262 G C 0.208 175.121 174.900 0.022 0.000 0.979 262 G CA 0.433 45.544 45.100 0.019 0.000 0.641 262 G HN 0.753 9.043 8.290 -0.000 0.000 0.530 263 S N -0.789 114.927 115.700 0.028 0.000 2.550 263 S HA 0.547 5.016 4.470 -0.001 0.000 0.270 263 S C 0.489 175.110 174.600 0.035 0.000 1.145 263 S CA 0.420 58.636 58.200 0.028 0.000 0.852 263 S CB 1.423 64.635 63.200 0.019 0.000 1.119 263 S HN 0.702 9.012 8.310 -0.000 0.000 0.465 264 Q N 2.679 122.500 119.800 0.035 0.000 2.222 264 Q HA 0.143 4.483 4.340 -0.001 0.000 0.206 264 Q C 0.821 176.834 176.000 0.022 0.000 0.877 264 Q CA 0.004 55.828 55.803 0.034 0.000 0.958 264 Q CB -0.243 28.518 28.738 0.038 0.000 1.075 264 Q HN 0.763 9.033 8.270 -0.000 0.000 0.483 265 K N -0.106 120.305 120.400 0.018 0.000 2.167 265 K HA -0.032 4.287 4.320 -0.001 0.000 0.203 265 K C 0.501 177.106 176.600 0.009 0.000 1.052 265 K CA 1.162 57.456 56.287 0.012 0.000 0.956 265 K CB 0.146 32.653 32.500 0.010 0.000 0.735 265 K HN -0.085 8.165 8.250 -0.000 0.000 0.451 266 D N 0.696 121.102 120.400 0.011 0.000 2.324 266 D HA 0.092 4.731 4.640 -0.001 0.000 0.235 266 D C 0.683 176.986 176.300 0.006 0.000 1.095 266 D CA 0.458 54.462 54.000 0.008 0.000 0.871 266 D CB 0.881 41.687 40.800 0.009 0.000 0.906 266 D HN 0.455 8.825 8.370 -0.000 0.000 0.522 267 A N -0.377 122.447 122.820 0.006 0.000 2.469 267 A HA 0.195 4.514 4.320 -0.001 0.000 0.245 267 A C 1.906 179.490 177.584 0.001 0.000 1.221 267 A CA -0.271 51.767 52.037 0.002 0.000 0.946 267 A CB -0.046 18.954 19.000 0.001 0.000 1.049 267 A HN 0.133 8.283 8.150 -0.000 0.000 0.529 268 L N 0.118 121.343 121.223 0.003 0.000 2.137 268 L HA -0.209 4.130 4.340 -0.001 0.000 0.213 268 L C 2.197 179.067 176.870 -0.000 0.000 1.085 268 L CA 1.659 56.500 54.840 0.002 0.000 0.760 268 L CB -0.358 41.702 42.059 0.002 0.000 0.893 268 L HN 0.361 8.591 8.230 -0.000 0.000 0.434 269 S N -0.788 114.912 115.700 -0.001 0.000 2.561 269 S HA 0.012 4.481 4.470 -0.001 0.000 0.225 269 S C 0.527 175.125 174.600 -0.003 0.000 0.977 269 S CA 0.195 58.393 58.200 -0.002 0.000 0.926 269 S CB -0.258 62.941 63.200 -0.003 0.000 0.769 269 S HN 0.434 8.744 8.310 -0.000 0.000 0.533 273 T N 0.261 114.825 114.554 0.016 0.000 2.849 273 T HA 0.368 4.717 4.350 -0.001 0.000 0.284 273 T C 1.141 175.852 174.700 0.019 0.000 1.004 273 T CA -0.489 61.617 62.100 0.011 0.000 1.021 273 T CB 1.101 69.970 68.868 0.003 0.000 1.013 273 T HN 0.692 8.932 8.240 -0.000 0.000 0.527 274 R N 0.597 121.102 120.500 0.008 0.000 2.103 274 R HA -0.119 4.221 4.340 -0.001 0.000 0.242 274 R C 2.836 179.162 176.300 0.044 0.000 1.142 274 R CA 1.912 58.021 56.100 0.015 0.000 0.960 274 R CB -0.668 29.623 30.300 -0.015 0.000 0.858 274 R HN 0.837 9.107 8.270 -0.000 0.000 0.439 275 S N 0.672 116.376 115.700 0.007 0.000 2.406 275 S HA -0.099 4.370 4.470 -0.001 0.000 0.228 275 S C 1.674 176.332 174.600 0.096 0.000 1.020 275 S CA 0.893 59.100 58.200 0.011 0.000 0.965 275 S CB -0.087 63.077 63.200 -0.061 0.000 0.798 275 S HN 0.338 8.648 8.310 -0.000 0.000 0.488 276 E N 0.818 121.057 120.200 0.065 0.000 2.106 276 E HA -0.020 4.329 4.350 -0.001 0.000 0.192 276 E C 1.949 178.602 176.600 0.088 0.000 0.984 276 E CA 0.710 57.152 56.400 0.070 0.000 0.806 276 E CB -0.200 29.525 29.700 0.042 0.000 0.750 276 E HN 0.315 8.675 8.360 -0.000 0.000 0.458 277 L N 0.042 121.316 121.223 0.086 0.000 2.027 277 L HA -0.146 4.193 4.340 -0.001 0.000 0.206 277 L C 2.046 178.986 176.870 0.116 0.000 1.074 277 L CA 1.721 56.610 54.840 0.081 0.000 0.745 277 L CB -0.875 41.218 42.059 0.057 0.000 0.898 277 L HN 0.183 8.413 8.230 -0.000 0.000 0.433 278 Y N 0.783 121.083 120.300 0.000 0.000 2.040 278 Y HA -0.365 4.185 4.550 -0.001 0.000 0.275 278 Y C 2.605 178.563 175.900 0.096 0.000 1.171 278 Y CA 2.425 60.531 58.100 0.010 0.000 1.123 278 Y CB -0.212 38.224 38.460 -0.041 0.000 0.963 278 Y HN 0.398 8.678 8.280 -0.000 0.000 0.493 279 E N -0.797 119.597 120.200 0.323 0.000 2.418 279 E HA -0.090 4.259 4.350 -0.001 0.000 0.197 279 E C 1.876 178.547 176.600 0.118 0.000 1.026 279 E CA 1.504 58.036 56.400 0.220 0.000 0.862 279 E CB -0.175 29.650 29.700 0.208 0.000 0.799 279 E HN 0.511 8.871 8.360 -0.000 0.000 0.518 280 T N 0.513 115.127 114.554 0.100 0.000 2.852 280 T HA 0.015 4.365 4.350 -0.001 0.000 0.256 280 T C 1.472 176.217 174.700 0.076 0.000 1.038 280 T CA 1.013 63.160 62.100 0.077 0.000 1.141 280 T CB -0.126 68.781 68.868 0.065 0.000 0.869 280 T HN 0.405 8.645 8.240 -0.000 0.000 0.439 281 I N -0.201 120.411 120.570 0.071 0.000 3.752 281 I HA 0.334 4.503 4.170 -0.001 0.000 0.313 281 I C -0.163 176.053 176.117 0.165 0.000 1.304 281 I CA -0.099 61.255 61.300 0.090 0.000 1.171 281 I CB -0.859 37.166 38.000 0.042 0.000 1.038 281 I HN -0.015 8.195 8.210 -0.000 0.000 0.427 282 S N 0.802 116.590 115.700 0.147 0.000 3.631 282 S HA -0.261 4.209 4.470 -0.001 0.000 0.366 282 S C 0.666 175.443 174.600 0.295 0.000 0.993 282 S CA 1.001 59.316 58.200 0.191 0.000 1.167 282 S CB -2.157 61.150 63.200 0.179 0.000 0.909 282 S HN 0.847 9.157 8.310 -0.000 0.000 0.478 283 Y N 1.418 121.669 120.300 -0.080 0.000 2.181 283 Y HA -0.200 4.350 4.550 -0.001 0.000 0.288 283 Y C 2.164 178.044 175.900 -0.034 0.000 1.146 283 Y CA 2.515 60.504 58.100 -0.184 0.000 1.164 283 Y CB -0.448 37.555 38.460 -0.762 0.000 0.982 283 Y HN 0.672 8.952 8.280 -0.000 0.000 0.515 284 H N 0.159 119.192 119.070 -0.062 0.000 2.357 284 H HA -0.204 4.351 4.556 -0.001 0.000 0.296 284 H C 1.775 177.088 175.328 -0.025 0.000 1.108 284 H CA 2.479 58.555 56.048 0.047 0.000 1.273 284 H CB -0.347 29.494 29.762 0.131 0.000 1.367 284 H HN 0.407 8.687 8.280 -0.000 0.000 0.498 285 D N -0.775 119.595 120.400 -0.050 0.000 2.162 285 D HA -0.109 4.531 4.640 -0.001 0.000 0.203 285 D C 2.020 178.146 176.300 -0.290 0.000 0.967 285 D CA 0.812 54.691 54.000 -0.202 0.000 0.840 285 D CB -0.299 40.383 40.800 -0.198 0.000 0.972 285 D HN 0.400 8.770 8.370 -0.000 0.000 0.482 286 F N 1.619 121.422 119.950 -0.245 0.000 2.171 286 F HA -0.101 4.426 4.527 -0.001 0.000 0.300 286 F C 2.539 178.166 175.800 -0.289 0.000 1.090 286 F CA 0.790 58.638 58.000 -0.252 0.000 1.293 286 F CB -0.090 38.735 39.000 -0.291 0.000 1.013 286 F HN -0.123 8.177 8.300 -0.000 0.000 0.486 287 E N 0.679 120.753 120.200 -0.210 0.000 2.072 287 E HA -0.239 4.110 4.350 -0.001 0.000 0.191 287 E C 2.161 178.654 176.600 -0.179 0.000 0.985 287 E CA 1.020 57.287 56.400 -0.223 0.000 0.801 287 E CB -0.221 29.330 29.700 -0.249 0.000 0.750 287 E HN 0.523 8.883 8.360 -0.000 0.000 0.452 288 E N 0.256 120.306 120.200 -0.249 0.000 2.118 288 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 288 E C 2.279 178.796 176.600 -0.138 0.000 0.992 288 E CA 0.784 57.058 56.400 -0.211 0.000 0.804 288 E CB -0.022 29.524 29.700 -0.257 0.000 0.741 288 E HN 0.135 8.495 8.360 -0.000 0.000 0.458 289 L N 1.150 122.289 121.223 -0.141 0.000 2.072 289 L HA -0.117 4.223 4.340 -0.001 0.000 0.205 289 L C 1.941 178.770 176.870 -0.068 0.000 1.079 289 L CA 1.993 56.769 54.840 -0.106 0.000 0.752 289 L CB -0.442 41.543 42.059 -0.124 0.000 0.906 289 L HN 0.074 8.304 8.230 -0.000 0.000 0.436 290 D N -0.872 119.491 120.400 -0.061 0.000 2.108 290 D HA -0.209 4.430 4.640 -0.001 0.000 0.190 290 D C 1.841 178.120 176.300 -0.035 0.000 0.995 290 D CA 2.151 56.128 54.000 -0.039 0.000 0.834 290 D CB -0.150 40.627 40.800 -0.039 0.000 0.967 290 D HN 0.453 8.823 8.370 -0.000 0.000 0.446 291 T N -1.833 112.696 114.554 -0.041 0.000 3.118 291 T HA 0.146 4.495 4.350 -0.001 0.000 0.260 291 T C 1.790 176.471 174.700 -0.032 0.000 1.139 291 T CA 0.667 62.750 62.100 -0.030 0.000 1.085 291 T CB -0.100 68.752 68.868 -0.027 0.000 0.934 291 T HN 0.203 8.443 8.240 -0.000 0.000 0.518 292 G N 0.919 109.693 108.800 -0.044 0.000 2.572 292 G HA2 0.066 4.025 3.960 -0.001 0.000 0.216 292 G HA3 0.066 4.025 3.960 -0.001 0.000 0.216 292 G C 1.157 176.038 174.900 -0.032 0.000 1.133 292 G CA 0.066 45.141 45.100 -0.041 0.000 0.791 292 G HN 0.382 8.672 8.290 -0.000 0.000 0.538 293 I N 1.188 121.741 120.570 -0.029 0.000 2.628 293 I HA 0.243 4.413 4.170 -0.001 0.000 0.255 293 I C 2.922 179.029 176.117 -0.015 0.000 1.119 293 I CA 0.243 61.530 61.300 -0.021 0.000 1.448 293 I CB -0.706 37.283 38.000 -0.019 0.000 1.133 293 I HN 0.153 8.363 8.210 -0.000 0.000 0.438 294 A N -0.072 122.739 122.820 -0.014 0.000 2.067 294 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 294 A C 2.130 179.710 177.584 -0.007 0.000 1.158 294 A CA 1.501 53.532 52.037 -0.009 0.000 0.661 294 A CB -0.224 18.772 19.000 -0.007 0.000 0.801 294 A HN 0.152 8.302 8.150 -0.000 0.000 0.452 295 K N -0.929 119.465 120.400 -0.010 0.000 2.244 295 K HA 0.079 4.399 4.320 -0.001 0.000 0.200 295 K C 1.591 178.186 176.600 -0.007 0.000 1.052 295 K CA 1.256 57.538 56.287 -0.007 0.000 0.980 295 K CB -0.900 31.595 32.500 -0.008 0.000 0.838 295 K HN 0.372 8.622 8.250 -0.000 0.000 0.481 296 T N 0.338 114.886 114.554 -0.010 0.000 3.118 296 T HA 0.016 4.366 4.350 -0.001 0.000 0.269 296 T C 0.583 175.278 174.700 -0.007 0.000 1.166 296 T CA 0.446 62.540 62.100 -0.009 0.000 1.073 296 T CB -0.195 68.666 68.868 -0.012 0.000 0.884 296 T HN -0.155 8.085 8.240 -0.000 0.000 0.550 297 V N 0.000 119.910 119.914 -0.006 0.000 2.409 297 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 297 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 297 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 297 V HN 0.000 8.190 8.190 -0.000 0.000 0.556