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 1be0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVNAIRTPDQ RFSNLDQYPF SPNYLDDLPG YPGLRAHYLD EGNSDAEDVF DATA SEQUENCE LCLHGEPTWS YLYRKMIPVF AESGARVIAP DFFGFGKSDK PVDEEDYTFE DATA SEQUENCE FHRNFLLALI ERLDLRNITL VVQDWGGFLG LTLPMADPSR FKRLIIMNAC DATA SEQUENCE LMTDPVTQPA FSAFVTQPAD GFTAWKYDLV TPSDLRLDQF MKRWAPTLTE DATA SEQUENCE AEASAYAAPF PDTSYQAGVR KFPKMVAQRD QACIDISTEA ISFWQNDWNG DATA SEQUENCE QTFMAIGMKD KLLGPDVMYP MKALINGCPE PLEIADAGHF VQEFGEQVAR DATA SEQUENCE EALKHFAETE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.254 176.300 -0.076 0.000 1.140 1 M CA 0.000 55.260 55.300 -0.066 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.056 0.000 1.302 2 V N 1.988 121.843 119.914 -0.099 0.000 5.791 2 V HA -0.231 3.888 4.120 -0.001 0.000 0.241 2 V C 0.119 176.143 176.094 -0.117 0.000 0.700 2 V CA 0.926 63.149 62.300 -0.128 0.000 0.848 2 V CB -1.424 30.322 31.823 -0.129 0.000 0.947 2 V HN 0.967 nan 8.190 nan 0.000 0.423 3 N N 3.076 121.707 118.700 -0.116 0.000 2.420 3 N HA 0.585 5.324 4.740 -0.001 0.000 0.262 3 N C -0.079 175.362 175.510 -0.115 0.000 1.144 3 N CA 0.825 53.814 53.050 -0.101 0.000 0.952 3 N CB 1.362 39.794 38.487 -0.092 0.000 1.081 3 N HN 1.007 nan 8.380 nan 0.000 0.480 4 A N 3.553 126.312 122.820 -0.102 0.000 2.556 4 A HA 0.722 5.041 4.320 -0.001 0.000 0.294 4 A C -0.589 176.942 177.584 -0.088 0.000 1.091 4 A CA -0.815 51.164 52.037 -0.097 0.000 0.704 4 A CB 0.949 19.892 19.000 -0.095 0.000 1.300 4 A HN 0.660 nan 8.150 nan 0.000 0.406 5 I N -1.694 118.818 120.570 -0.097 0.000 2.957 5 I HA 0.855 5.025 4.170 -0.001 0.000 0.310 5 I C -0.346 175.773 176.117 0.003 0.000 1.063 5 I CA -1.020 60.211 61.300 -0.115 0.000 1.033 5 I CB 2.074 39.875 38.000 -0.333 0.000 1.230 5 I HN 0.748 nan 8.210 nan 0.000 0.447 6 R N 1.988 122.529 120.500 0.067 0.000 2.534 6 R HA 0.465 4.804 4.340 -0.001 0.000 0.301 6 R C -1.023 175.423 176.300 0.244 0.000 0.961 6 R CA -0.385 55.798 56.100 0.139 0.000 0.871 6 R CB 1.935 32.277 30.300 0.071 0.000 1.170 6 R HN 0.840 nan 8.270 nan 0.000 0.446 7 T N 6.534 121.219 114.554 0.219 0.000 2.834 7 T HA 0.152 4.501 4.350 -0.001 0.000 0.298 7 T C -2.297 172.426 174.700 0.038 0.000 0.966 7 T CA -0.728 61.407 62.100 0.059 0.000 1.141 7 T CB 0.875 69.684 68.868 -0.099 0.000 0.905 7 T HN 0.461 nan 8.240 nan 0.000 0.535 8 P HA 0.051 nan 4.420 nan 0.000 0.264 8 P C 0.527 177.820 177.300 -0.012 0.000 1.183 8 P CA -0.014 63.069 63.100 -0.029 0.000 0.763 8 P CB 0.474 32.128 31.700 -0.076 0.000 0.807 9 D N 1.725 122.169 120.400 0.073 0.000 2.218 9 D HA -0.196 4.443 4.640 -0.001 0.000 0.204 9 D C 1.609 177.978 176.300 0.114 0.000 0.976 9 D CA 1.057 55.165 54.000 0.180 0.000 0.853 9 D CB -0.118 40.758 40.800 0.127 0.000 0.939 9 D HN 0.322 nan 8.370 nan 0.000 0.481 10 Q N 0.222 120.017 119.800 -0.007 0.000 2.226 10 Q HA -0.146 4.193 4.340 -0.001 0.000 0.204 10 Q C 1.532 177.443 176.000 -0.149 0.000 0.975 10 Q CA 0.805 56.579 55.803 -0.049 0.000 0.866 10 Q CB 0.031 28.733 28.738 -0.059 0.000 0.915 10 Q HN 0.186 nan 8.270 nan 0.000 0.440 11 R N -0.451 119.851 120.500 -0.329 0.000 2.241 11 R HA -0.091 4.248 4.340 -0.001 0.000 0.224 11 R C 1.237 177.113 176.300 -0.706 0.000 1.101 11 R CA 0.680 56.423 56.100 -0.595 0.000 0.995 11 R CB -0.505 29.264 30.300 -0.885 0.000 0.870 11 R HN 0.267 nan 8.270 nan 0.000 0.463 12 F N -0.834 119.040 119.950 -0.127 0.000 2.653 12 F HA 0.248 4.774 4.527 -0.002 0.000 0.304 12 F C 2.043 177.834 175.800 -0.014 0.000 1.092 12 F CA -0.237 57.714 58.000 -0.081 0.000 1.279 12 F CB -0.047 38.907 39.000 -0.076 0.000 1.044 12 F HN -0.116 nan 8.300 nan 0.000 0.564 13 S N 0.709 116.454 115.700 0.075 0.000 2.368 13 S HA -0.223 4.246 4.470 -0.001 0.000 0.225 13 S C 1.492 176.125 174.600 0.055 0.000 1.030 13 S CA 1.550 59.789 58.200 0.064 0.000 0.999 13 S CB -0.385 62.825 63.200 0.017 0.000 0.844 13 S HN 0.541 nan 8.310 nan 0.000 0.459 14 N N 0.571 119.284 118.700 0.022 0.000 2.453 14 N HA 0.219 4.959 4.740 -0.001 0.000 0.270 14 N C -0.767 174.762 175.510 0.031 0.000 1.195 14 N CA -0.268 52.793 53.050 0.019 0.000 0.902 14 N CB 0.053 38.534 38.487 -0.011 0.000 1.186 14 N HN 0.348 nan 8.380 nan 0.000 0.510 15 L N 0.574 121.846 121.223 0.082 0.000 2.461 15 L HA 0.072 4.412 4.340 -0.001 0.000 0.272 15 L C 0.351 177.305 176.870 0.140 0.000 1.197 15 L CA 0.152 55.057 54.840 0.107 0.000 0.836 15 L CB 0.426 42.614 42.059 0.215 0.000 1.105 15 L HN 0.216 nan 8.230 nan 0.000 0.477 16 D N 2.206 122.712 120.400 0.177 0.000 2.317 16 D HA 0.100 4.740 4.640 -0.001 0.000 0.234 16 D C -0.440 175.984 176.300 0.208 0.000 1.112 16 D CA -0.165 53.935 54.000 0.166 0.000 0.840 16 D CB 0.510 41.392 40.800 0.137 0.000 1.078 16 D HN 0.373 nan 8.370 nan 0.000 0.486 17 Q N 2.372 122.219 119.800 0.079 0.000 2.463 17 Q HA -0.282 4.058 4.340 -0.001 0.000 0.299 17 Q C -1.307 174.667 176.000 -0.043 0.000 1.353 17 Q CA 0.700 56.489 55.803 -0.023 0.000 0.828 17 Q CB -1.904 26.803 28.738 -0.050 0.000 1.157 17 Q HN 0.720 nan 8.270 nan 0.000 0.436 18 Y N 0.555 120.755 120.300 -0.167 0.000 2.535 18 Y HA 0.293 4.841 4.550 -0.002 0.000 0.351 18 Y C -1.817 173.860 175.900 -0.371 0.000 1.050 18 Y CA -1.676 56.289 58.100 -0.225 0.000 1.168 18 Y CB 1.157 39.708 38.460 0.151 0.000 1.116 18 Y HN -0.041 nan 8.280 nan 0.000 0.654 19 P HA 0.094 nan 4.420 nan 0.000 0.257 19 P C -0.720 176.201 177.300 -0.632 0.000 1.325 19 P CA 0.170 62.908 63.100 -0.603 0.000 0.850 19 P CB -0.292 31.094 31.700 -0.524 0.000 1.324 20 F N 0.546 120.276 119.950 -0.367 0.000 2.438 20 F HA 0.222 4.750 4.527 0.001 0.000 0.356 20 F C 1.238 176.918 175.800 -0.199 0.000 1.099 20 F CA -0.674 57.117 58.000 -0.349 0.000 1.185 20 F CB 0.173 38.843 39.000 -0.549 0.000 1.115 20 F HN -0.248 nan 8.300 nan 0.000 0.526 21 S N 5.300 121.018 115.700 0.030 0.000 2.549 21 S HA 0.185 4.654 4.470 -0.001 0.000 0.283 21 S C -2.152 172.448 174.600 -0.000 0.000 1.320 21 S CA -0.937 57.273 58.200 0.016 0.000 1.058 21 S CB 0.158 63.352 63.200 -0.011 0.000 0.882 21 S HN 0.357 nan 8.310 nan 0.000 0.498 22 P HA 0.233 nan 4.420 nan 0.000 0.275 22 P C -1.009 176.066 177.300 -0.376 0.000 1.227 22 P CA -0.472 62.604 63.100 -0.040 0.000 0.781 22 P CB 0.564 32.258 31.700 -0.010 0.000 0.906 23 N N 1.921 120.152 118.700 -0.781 0.000 2.225 23 N HA 0.377 5.116 4.740 -0.001 0.000 0.298 23 N C -1.043 173.918 175.510 -0.915 0.000 1.076 23 N CA -0.238 52.300 53.050 -0.854 0.000 0.792 23 N CB 1.717 39.418 38.487 -1.309 0.000 1.498 23 N HN 0.371 nan 8.380 nan 0.000 0.474 24 Y N 0.223 120.529 120.300 0.011 0.000 2.545 24 Y HA 0.562 5.111 4.550 -0.002 0.000 0.348 24 Y C -0.278 175.821 175.900 0.330 0.000 1.002 24 Y CA -0.757 57.478 58.100 0.224 0.000 1.039 24 Y CB 2.101 40.665 38.460 0.174 0.000 1.271 24 Y HN 0.207 nan 8.280 nan 0.000 0.467 25 L N 3.274 124.793 121.223 0.493 0.000 2.406 25 L HA 0.416 4.755 4.340 -0.001 0.000 0.270 25 L C -1.192 175.862 176.870 0.307 0.000 0.982 25 L CA -0.538 54.500 54.840 0.331 0.000 0.843 25 L CB 1.448 43.636 42.059 0.213 0.000 1.225 25 L HN 0.639 nan 8.230 nan 0.000 0.412 26 D N 3.234 123.779 120.400 0.241 0.000 2.163 26 D HA 0.155 4.794 4.640 -0.001 0.000 0.248 26 D C -0.555 175.855 176.300 0.183 0.000 1.035 26 D CA -0.209 53.915 54.000 0.206 0.000 0.872 26 D CB 1.814 42.704 40.800 0.150 0.000 1.183 26 D HN 0.486 nan 8.370 nan 0.000 0.445 27 D N 1.360 121.872 120.400 0.187 0.000 2.735 27 D HA -0.191 4.448 4.640 -0.001 0.000 0.235 27 D C 0.082 176.496 176.300 0.189 0.000 1.175 27 D CA 0.606 54.705 54.000 0.165 0.000 0.683 27 D CB -1.190 39.674 40.800 0.106 0.000 1.008 27 D HN 0.376 nan 8.370 nan 0.000 0.416 28 L N -0.112 121.278 121.223 0.278 0.000 2.467 28 L HA 0.194 4.534 4.340 -0.001 0.000 0.270 28 L C -1.481 175.562 176.870 0.289 0.000 1.205 28 L CA -1.496 53.513 54.840 0.282 0.000 0.828 28 L CB 0.124 42.401 42.059 0.363 0.000 1.101 28 L HN -0.178 nan 8.230 nan 0.000 0.479 29 P HA -0.002 nan 4.420 nan 0.000 0.258 29 P C 0.591 177.956 177.300 0.109 0.000 1.187 29 P CA 1.004 64.183 63.100 0.131 0.000 0.767 29 P CB 0.423 32.182 31.700 0.098 0.000 0.770 30 G N 2.557 111.326 108.800 -0.050 0.000 2.176 30 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.232 30 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.232 30 G C -0.138 174.338 174.900 -0.706 0.000 0.986 30 G CA -0.424 44.469 45.100 -0.346 0.000 0.643 30 G HN 0.487 nan 8.290 nan 0.000 0.522 31 Y N 1.502 121.831 120.300 0.049 0.000 2.470 31 Y HA 0.406 4.956 4.550 -0.001 0.000 0.352 31 Y C -2.149 173.749 175.900 -0.003 0.000 0.967 31 Y CA -2.018 56.083 58.100 0.001 0.000 1.121 31 Y CB 1.283 39.788 38.460 0.075 0.000 1.149 31 Y HN 0.100 nan 8.280 nan 0.000 0.641 32 P HA 0.170 nan 4.420 nan 0.000 0.275 32 P C 0.986 178.293 177.300 0.012 0.000 1.227 32 P CA 0.839 63.959 63.100 0.033 0.000 0.781 32 P CB 1.752 33.452 31.700 0.001 0.000 0.906 33 G N 2.050 110.866 108.800 0.028 0.000 2.184 33 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.264 33 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.264 33 G C -0.146 174.757 174.900 0.005 0.000 0.975 33 G CA -0.021 45.085 45.100 0.009 0.000 0.642 33 G HN 0.492 nan 8.290 nan 0.000 0.536 34 L N 0.285 121.518 121.223 0.016 0.000 2.296 34 L HA 0.599 4.938 4.340 -0.001 0.000 0.286 34 L C 0.708 177.707 176.870 0.215 0.000 1.023 34 L CA -0.914 53.920 54.840 -0.010 0.000 0.812 34 L CB 1.753 43.579 42.059 -0.389 0.000 1.223 34 L HN 0.171 nan 8.230 nan 0.000 0.421 35 R N 2.647 123.310 120.500 0.272 0.000 2.294 35 R HA 0.725 5.064 4.340 -0.001 0.000 0.319 35 R C -0.843 175.768 176.300 0.519 0.000 0.984 35 R CA -0.378 55.927 56.100 0.342 0.000 0.861 35 R CB 1.511 31.914 30.300 0.171 0.000 1.104 35 R HN 0.742 nan 8.270 nan 0.000 0.451 36 A N 4.233 127.352 122.820 0.498 0.000 2.330 36 A HA 0.288 4.607 4.320 -0.001 0.000 0.327 36 A C -1.159 176.715 177.584 0.483 0.000 1.155 36 A CA -0.663 51.571 52.037 0.329 0.000 0.803 36 A CB 0.862 19.911 19.000 0.082 0.000 1.208 36 A HN 0.878 nan 8.150 nan 0.000 0.477 37 H N 1.632 120.894 119.070 0.320 0.000 2.483 37 H HA 0.644 5.199 4.556 -0.001 0.000 0.338 37 H C -1.608 173.870 175.328 0.250 0.000 1.152 37 H CA -0.113 56.041 56.048 0.176 0.000 1.264 37 H CB 1.374 31.195 29.762 0.098 0.000 1.510 37 H HN 0.774 nan 8.280 nan 0.000 0.530 38 Y N 1.804 121.611 120.300 -0.823 0.000 2.565 38 Y HA 0.387 4.937 4.550 -0.000 0.000 0.330 38 Y C -2.193 173.337 175.900 -0.616 0.000 1.150 38 Y CA -1.308 56.469 58.100 -0.538 0.000 1.055 38 Y CB 0.604 38.923 38.460 -0.236 0.000 1.337 38 Y HN 0.423 nan 8.280 nan 0.000 0.457 39 L N 3.145 124.167 121.223 -0.336 0.000 2.334 39 L HA 0.489 4.829 4.340 -0.001 0.000 0.277 39 L C -0.732 176.042 176.870 -0.161 0.000 1.075 39 L CA -0.464 54.197 54.840 -0.298 0.000 0.804 39 L CB 1.261 43.193 42.059 -0.211 0.000 1.174 39 L HN 0.731 nan 8.230 nan 0.000 0.438 40 D N 2.379 122.671 120.400 -0.179 0.000 2.363 40 D HA 0.217 4.857 4.640 -0.001 0.000 0.258 40 D C -0.719 175.542 176.300 -0.065 0.000 1.259 40 D CA -0.269 53.696 54.000 -0.059 0.000 0.921 40 D CB 0.874 41.664 40.800 -0.016 0.000 1.201 40 D HN 0.358 nan 8.370 nan 0.000 0.524 41 E N 0.583 120.743 120.200 -0.067 0.000 2.222 41 E HA 0.667 5.017 4.350 -0.001 0.000 0.267 41 E C 0.780 177.369 176.600 -0.018 0.000 0.963 41 E CA -0.662 55.709 56.400 -0.048 0.000 0.837 41 E CB 1.661 31.302 29.700 -0.098 0.000 1.183 41 E HN 0.616 nan 8.360 nan 0.000 0.403 42 G N 2.055 110.853 108.800 -0.002 0.000 2.782 42 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.228 42 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.228 42 G C -0.062 174.843 174.900 0.009 0.000 1.372 42 G CA -0.321 44.783 45.100 0.008 0.000 0.862 42 G HN 0.556 nan 8.290 nan 0.000 0.547 43 N N 0.330 119.037 118.700 0.013 0.000 2.386 43 N HA 0.190 4.929 4.740 -0.001 0.000 0.273 43 N C 1.970 177.484 175.510 0.007 0.000 1.331 43 N CA 1.141 54.197 53.050 0.010 0.000 0.891 43 N CB 0.700 39.194 38.487 0.012 0.000 1.139 43 N HN 1.257 nan 8.380 nan 0.000 0.487 44 S N 1.908 117.610 115.700 0.004 0.000 2.474 44 S HA -0.081 4.389 4.470 -0.001 0.000 0.235 44 S C 0.530 175.128 174.600 -0.003 0.000 0.997 44 S CA 0.780 58.981 58.200 0.002 0.000 0.949 44 S CB 0.162 63.365 63.200 0.004 0.000 0.766 44 S HN 0.568 nan 8.310 nan 0.000 0.517 45 D N 1.795 122.193 120.400 -0.003 0.000 2.388 45 D HA 0.463 5.102 4.640 -0.001 0.000 0.221 45 D C 0.520 176.814 176.300 -0.009 0.000 1.133 45 D CA 0.115 54.110 54.000 -0.008 0.000 0.831 45 D CB 0.532 41.328 40.800 -0.007 0.000 0.962 45 D HN 0.540 nan 8.370 nan 0.000 0.502 46 A N 0.652 123.469 122.820 -0.004 0.000 2.466 46 A HA 0.044 4.363 4.320 -0.001 0.000 0.238 46 A C 1.304 178.879 177.584 -0.016 0.000 1.074 46 A CA 0.025 52.062 52.037 -0.000 0.000 0.774 46 A CB 0.679 19.690 19.000 0.018 0.000 1.015 46 A HN 0.043 nan 8.150 nan 0.000 0.498 47 E N 0.341 120.530 120.200 -0.018 0.000 2.158 47 E HA -0.056 4.293 4.350 -0.001 0.000 0.191 47 E C -0.423 176.139 176.600 -0.063 0.000 0.982 47 E CA 0.639 57.014 56.400 -0.040 0.000 0.823 47 E CB 0.152 29.830 29.700 -0.037 0.000 0.766 47 E HN 0.689 nan 8.360 nan 0.000 0.468 48 D N 0.817 121.190 120.400 -0.045 0.000 2.168 48 D HA 0.228 4.867 4.640 -0.001 0.000 0.246 48 D C -1.068 175.195 176.300 -0.063 0.000 1.050 48 D CA -0.161 53.782 54.000 -0.095 0.000 0.857 48 D CB 2.865 43.621 40.800 -0.073 0.000 1.169 48 D HN -0.152 nan 8.370 nan 0.000 0.453 49 V N 3.839 123.654 119.914 -0.166 0.000 2.483 49 V HA 0.344 4.463 4.120 -0.001 0.000 0.297 49 V C -1.348 174.620 176.094 -0.210 0.000 1.027 49 V CA -0.655 61.585 62.300 -0.100 0.000 0.855 49 V CB 0.955 32.712 31.823 -0.110 0.000 0.995 49 V HN 0.308 nan 8.190 nan 0.000 0.424 50 F N 7.150 126.973 119.950 -0.211 0.000 2.375 50 F HA 0.451 4.977 4.527 -0.001 0.000 0.362 50 F C 0.083 175.759 175.800 -0.208 0.000 1.129 50 F CA -0.488 57.342 58.000 -0.284 0.000 1.154 50 F CB 1.374 40.044 39.000 -0.550 0.000 1.205 50 F HN 0.367 nan 8.300 nan 0.000 0.513 51 L N 5.653 126.836 121.223 -0.067 0.000 2.282 51 L HA 0.364 4.704 4.340 -0.001 0.000 0.287 51 L C -0.757 176.049 176.870 -0.107 0.000 1.075 51 L CA -0.291 54.500 54.840 -0.081 0.000 0.839 51 L CB -0.342 41.679 42.059 -0.064 0.000 1.219 51 L HN 0.594 nan 8.230 nan 0.000 0.434 52 C N 6.330 125.497 119.300 -0.221 0.000 2.281 52 C HA 0.456 4.915 4.460 -0.001 0.000 0.336 52 C C 0.272 175.055 174.990 -0.345 0.000 1.217 52 C CA -1.035 57.664 59.018 -0.531 0.000 1.730 52 C CB -0.842 26.224 27.740 -1.125 0.000 2.338 52 C HN 0.620 nan 8.230 nan 0.000 0.521 53 L N 4.727 125.902 121.223 -0.079 0.000 2.282 53 L HA 0.468 4.807 4.340 -0.001 0.000 0.288 53 L C 0.526 177.634 176.870 0.397 0.000 1.033 53 L CA -0.389 54.496 54.840 0.075 0.000 0.807 53 L CB 0.676 42.753 42.059 0.030 0.000 1.209 53 L HN 0.802 nan 8.230 nan 0.000 0.423 54 H N 1.094 120.406 119.070 0.403 0.000 2.490 54 H HA 0.826 5.381 4.556 -0.001 0.000 0.354 54 H C 0.186 175.730 175.328 0.360 0.000 1.365 54 H CA -0.262 56.029 56.048 0.405 0.000 1.413 54 H CB 1.128 31.125 29.762 0.392 0.000 1.631 54 H HN 0.556 nan 8.280 nan 0.000 0.607 55 G N -0.948 108.095 108.800 0.404 0.000 3.252 55 G HA2 0.335 4.294 3.960 -0.001 0.000 0.181 55 G HA3 0.335 4.294 3.960 -0.001 0.000 0.181 55 G C -0.991 174.106 174.900 0.328 0.000 1.187 55 G CA -0.803 44.421 45.100 0.206 0.000 0.886 55 G HN 0.781 nan 8.290 nan 0.000 0.615 56 E N 0.972 121.377 120.200 0.342 0.000 2.197 56 E HA 0.539 4.888 4.350 -0.001 0.000 0.281 56 E C -2.345 174.666 176.600 0.685 0.000 0.995 56 E CA -2.064 54.641 56.400 0.508 0.000 0.808 56 E CB 2.069 32.098 29.700 0.548 0.000 1.093 56 E HN 0.149 nan 8.360 nan 0.000 0.394 57 P HA 0.183 nan 4.420 nan 0.000 0.249 57 P C -0.831 176.805 177.300 0.561 0.000 1.846 57 P CA -0.337 63.020 63.100 0.428 0.000 1.138 57 P CB 0.554 32.238 31.700 -0.027 0.000 1.840 58 T N -2.920 111.993 114.554 0.599 0.000 2.849 58 T HA 0.769 5.119 4.350 -0.001 0.000 0.272 58 T C -0.262 174.787 174.700 0.581 0.000 1.046 58 T CA -0.420 62.073 62.100 0.656 0.000 0.983 58 T CB 1.003 70.133 68.868 0.438 0.000 1.721 58 T HN 0.298 nan 8.240 nan 0.000 0.594 59 W N -1.639 119.660 121.300 -0.002 0.000 2.803 59 W HA 0.433 5.092 4.660 -0.002 0.000 0.424 59 W C 1.119 177.609 176.519 -0.048 0.000 1.092 59 W CA -0.120 56.915 57.345 -0.518 0.000 1.184 59 W CB 0.245 29.660 29.460 -0.076 0.000 1.470 59 W HN 0.808 nan 8.180 nan 0.000 0.598 60 S N -0.203 115.638 115.700 0.236 0.000 2.462 60 S HA -0.338 4.131 4.470 -0.001 0.000 0.243 60 S C 1.456 176.083 174.600 0.044 0.000 1.003 60 S CA 1.744 60.114 58.200 0.284 0.000 0.970 60 S CB -0.994 62.453 63.200 0.412 0.000 0.762 60 S HN 0.461 nan 8.310 nan 0.000 0.510 61 Y N 1.759 121.569 120.300 -0.817 0.000 2.315 61 Y HA -0.039 4.510 4.550 -0.002 0.000 0.288 61 Y C 2.014 177.699 175.900 -0.359 0.000 1.154 61 Y CA 1.139 58.685 58.100 -0.923 0.000 1.229 61 Y CB -0.370 36.819 38.460 -2.118 0.000 0.980 61 Y HN 0.340 nan 8.280 nan 0.000 0.540 62 L N -0.674 120.464 121.223 -0.141 0.000 2.131 62 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 62 L C 1.153 177.884 176.870 -0.230 0.000 1.092 62 L CA 1.802 56.607 54.840 -0.057 0.000 0.759 62 L CB -0.903 41.149 42.059 -0.010 0.000 0.903 62 L HN 0.256 nan 8.230 nan 0.000 0.435 63 Y N -0.015 120.265 120.300 -0.034 0.000 2.461 63 Y HA 0.094 4.644 4.550 -0.001 0.000 0.277 63 Y C 2.172 177.973 175.900 -0.164 0.000 1.182 63 Y CA 0.258 58.319 58.100 -0.064 0.000 1.276 63 Y CB -0.490 37.954 38.460 -0.026 0.000 1.087 63 Y HN 0.293 nan 8.280 nan 0.000 0.519 64 R N 0.387 120.839 120.500 -0.080 0.000 2.159 64 R HA -0.169 4.170 4.340 -0.001 0.000 0.237 64 R C 1.160 177.455 176.300 -0.009 0.000 1.131 64 R CA 1.683 57.777 56.100 -0.010 0.000 0.982 64 R CB -0.360 29.868 30.300 -0.120 0.000 0.868 64 R HN 0.224 nan 8.270 nan 0.000 0.453 65 K N -0.156 120.192 120.400 -0.086 0.000 2.379 65 K HA 0.170 4.489 4.320 -0.001 0.000 0.194 65 K C 1.807 178.312 176.600 -0.158 0.000 1.031 65 K CA 0.602 56.829 56.287 -0.100 0.000 1.037 65 K CB 0.242 32.677 32.500 -0.108 0.000 0.824 65 K HN 0.227 nan 8.250 nan 0.000 0.516 66 M N -0.005 119.484 119.600 -0.186 0.000 2.552 66 M HA 0.083 4.562 4.480 -0.001 0.000 0.264 66 M C 1.869 177.823 176.300 -0.576 0.000 1.159 66 M CA 0.765 55.811 55.300 -0.423 0.000 1.176 66 M CB 0.023 32.456 32.600 -0.277 0.000 1.327 66 M HN 0.018 nan 8.290 nan 0.000 0.481 67 I N 0.945 121.325 120.570 -0.318 0.000 2.118 67 I HA -0.257 3.912 4.170 -0.001 0.000 0.241 67 I C -0.665 175.320 176.117 -0.219 0.000 1.070 67 I CA 1.841 62.963 61.300 -0.297 0.000 1.327 67 I CB -1.725 35.920 38.000 -0.592 0.000 1.034 67 I HN 0.143 nan 8.210 nan 0.000 0.405 68 P HA -0.128 nan 4.420 nan 0.000 0.215 68 P C 1.931 179.159 177.300 -0.119 0.000 1.153 68 P CA 1.223 64.289 63.100 -0.056 0.000 0.853 68 P CB 0.010 31.707 31.700 -0.004 0.000 0.788 69 V N -1.327 118.449 119.914 -0.231 0.000 2.295 69 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 69 V C 2.172 178.158 176.094 -0.180 0.000 1.049 69 V CA 1.781 63.935 62.300 -0.243 0.000 1.024 69 V CB -1.384 30.218 31.823 -0.368 0.000 0.648 69 V HN -0.031 nan 8.190 nan 0.000 0.447 70 F N 0.990 120.760 119.950 -0.300 0.000 2.134 70 F HA -0.063 4.463 4.527 -0.001 0.000 0.299 70 F C 2.474 178.100 175.800 -0.290 0.000 1.097 70 F CA 0.915 58.617 58.000 -0.497 0.000 1.264 70 F CB -1.483 37.043 39.000 -0.791 0.000 1.001 70 F HN 0.115 nan 8.300 nan 0.000 0.479 71 A N -0.215 122.605 122.820 0.000 0.000 1.930 71 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 71 A C 2.102 179.688 177.584 0.004 0.000 1.175 71 A CA 1.766 53.803 52.037 0.001 0.000 0.627 71 A CB -0.747 18.248 19.000 -0.007 0.000 0.815 71 A HN 0.307 nan 8.150 nan 0.000 0.443 72 E N 0.972 121.166 120.200 -0.010 0.000 2.268 72 E HA -0.130 4.220 4.350 -0.001 0.000 0.195 72 E C 1.906 178.511 176.600 0.008 0.000 0.995 72 E CA 1.584 57.981 56.400 -0.006 0.000 0.836 72 E CB -0.427 29.260 29.700 -0.020 0.000 0.763 72 E HN 0.626 nan 8.360 nan 0.000 0.491 73 S N -1.340 114.371 115.700 0.018 0.000 2.561 73 S HA 0.146 4.615 4.470 -0.001 0.000 0.225 73 S C 1.631 176.264 174.600 0.054 0.000 0.977 73 S CA 0.600 58.825 58.200 0.043 0.000 0.926 73 S CB -0.157 63.086 63.200 0.072 0.000 0.769 73 S HN 0.594 nan 8.310 nan 0.000 0.533 74 G N 0.063 108.890 108.800 0.045 0.000 2.163 74 G HA2 0.015 3.974 3.960 -0.001 0.000 0.213 74 G HA3 0.015 3.974 3.960 -0.001 0.000 0.213 74 G C 0.156 175.093 174.900 0.062 0.000 0.991 74 G CA -0.117 45.009 45.100 0.045 0.000 0.653 74 G HN 1.197 nan 8.290 nan 0.000 0.518 75 A N -0.218 122.657 122.820 0.091 0.000 2.269 75 A HA 0.861 5.181 4.320 -0.001 0.000 0.319 75 A C 0.549 178.195 177.584 0.102 0.000 1.110 75 A CA 0.035 52.157 52.037 0.143 0.000 0.847 75 A CB 0.746 19.947 19.000 0.335 0.000 1.161 75 A HN 0.693 nan 8.150 nan 0.000 0.497 76 R N 0.495 121.057 120.500 0.105 0.000 2.404 76 R HA 0.575 4.915 4.340 -0.001 0.000 0.291 76 R C -1.624 174.728 176.300 0.087 0.000 1.025 76 R CA -0.251 55.885 56.100 0.060 0.000 0.991 76 R CB 0.919 31.233 30.300 0.024 0.000 1.053 76 R HN 0.455 nan 8.270 nan 0.000 0.479 77 V N 5.937 125.873 119.914 0.036 0.000 2.487 77 V HA 0.417 4.537 4.120 -0.001 0.000 0.298 77 V C -0.356 175.725 176.094 -0.021 0.000 1.028 77 V CA -0.859 61.455 62.300 0.024 0.000 0.860 77 V CB 1.797 33.614 31.823 -0.010 0.000 0.991 77 V HN 0.635 nan 8.190 nan 0.000 0.427 78 I N 4.095 124.650 120.570 -0.026 0.000 2.382 78 I HA 0.661 4.830 4.170 -0.001 0.000 0.286 78 I C 0.239 176.318 176.117 -0.064 0.000 1.002 78 I CA -0.388 60.897 61.300 -0.025 0.000 1.135 78 I CB 1.592 39.559 38.000 -0.054 0.000 1.288 78 I HN 0.742 nan 8.210 nan 0.000 0.448 79 A N 9.788 132.584 122.820 -0.039 0.000 2.483 79 A HA 0.724 5.044 4.320 -0.001 0.000 0.308 79 A C -2.661 174.967 177.584 0.075 0.000 1.291 79 A CA -1.233 50.787 52.037 -0.029 0.000 0.774 79 A CB 0.759 19.733 19.000 -0.044 0.000 1.134 79 A HN 0.368 nan 8.150 nan 0.000 0.471 80 P HA 0.397 nan 4.420 nan 0.000 0.284 80 P C -1.208 176.238 177.300 0.243 0.000 1.258 80 P CA -0.190 62.985 63.100 0.125 0.000 0.824 80 P CB 1.535 33.220 31.700 -0.024 0.000 1.038 81 D N 1.704 122.313 120.400 0.348 0.000 2.280 81 D HA 0.317 4.957 4.640 -0.001 0.000 0.236 81 D C 0.214 176.745 176.300 0.386 0.000 1.082 81 D CA -0.156 54.161 54.000 0.529 0.000 0.834 81 D CB 0.231 41.349 40.800 0.531 0.000 1.100 81 D HN 0.148 nan 8.370 nan 0.000 0.486 82 F N 1.183 121.487 119.950 0.590 0.000 2.545 82 F HA 0.083 4.610 4.527 -0.001 0.000 0.348 82 F C 1.109 177.104 175.800 0.325 0.000 1.163 82 F CA -0.073 58.077 58.000 0.250 0.000 1.331 82 F CB 0.193 39.327 39.000 0.224 0.000 1.138 82 F HN 0.217 nan 8.300 nan 0.000 0.602 83 F N 1.418 121.599 119.950 0.385 0.000 2.578 83 F HA 0.348 4.874 4.527 -0.001 0.000 0.376 83 F C 1.228 177.444 175.800 0.694 0.000 1.085 83 F CA 0.601 58.818 58.000 0.361 0.000 1.260 83 F CB -0.150 38.974 39.000 0.206 0.000 1.095 83 F HN 0.626 nan 8.300 nan 0.000 0.573 84 G N 1.844 111.021 108.800 0.628 0.000 2.179 84 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 84 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 84 G C -0.333 174.434 174.900 -0.221 0.000 0.990 84 G CA -0.483 44.760 45.100 0.238 0.000 0.646 84 G HN 0.462 nan 8.290 nan 0.000 0.517 85 F N -0.644 119.571 119.950 0.440 0.000 2.650 85 F HA 0.680 5.206 4.527 -0.001 0.000 0.320 85 F C 1.387 177.234 175.800 0.077 0.000 1.091 85 F CA 0.179 58.397 58.000 0.363 0.000 0.962 85 F CB 0.903 40.273 39.000 0.618 0.000 1.363 85 F HN 0.880 nan 8.300 nan 0.000 0.482 86 G N 1.452 110.210 108.800 -0.071 0.000 2.672 86 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.324 86 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.324 86 G C 0.622 175.220 174.900 -0.503 0.000 1.286 86 G CA 0.801 45.558 45.100 -0.573 0.000 1.004 86 G HN 0.701 nan 8.290 nan 0.000 0.548 87 K N 0.690 120.851 120.400 -0.397 0.000 2.387 87 K HA 0.353 4.673 4.320 -0.001 0.000 0.198 87 K C 0.859 177.506 176.600 0.079 0.000 1.022 87 K CA 0.262 56.321 56.287 -0.380 0.000 1.128 87 K CB 0.493 32.496 32.500 -0.829 0.000 0.853 87 K HN 0.264 nan 8.250 nan 0.000 0.523 88 S N 1.440 117.259 115.700 0.199 0.000 2.617 88 S HA 0.094 4.564 4.470 -0.001 0.000 0.269 88 S C -0.052 174.736 174.600 0.314 0.000 1.292 88 S CA -0.624 57.764 58.200 0.313 0.000 1.010 88 S CB 0.789 64.150 63.200 0.268 0.000 0.944 88 S HN 0.108 nan 8.310 nan 0.000 0.536 89 D N 1.665 122.299 120.400 0.390 0.000 2.400 89 D HA 0.184 4.823 4.640 -0.001 0.000 0.238 89 D C -0.250 176.227 176.300 0.294 0.000 1.157 89 D CA 0.476 54.640 54.000 0.273 0.000 0.889 89 D CB 0.390 41.297 40.800 0.178 0.000 1.199 89 D HN 0.316 nan 8.370 nan 0.000 0.436 90 K N 2.082 122.589 120.400 0.178 0.000 2.572 90 K HA 0.339 4.658 4.320 -0.001 0.000 0.244 90 K C -2.567 174.082 176.600 0.081 0.000 0.965 90 K CA -1.617 54.784 56.287 0.191 0.000 0.943 90 K CB 1.994 34.616 32.500 0.202 0.000 1.154 90 K HN 0.074 nan 8.250 nan 0.000 0.447 91 P HA -0.133 nan 4.420 nan 0.000 0.264 91 P C 1.021 178.322 177.300 0.002 0.000 1.183 91 P CA -0.089 62.925 63.100 -0.143 0.000 0.763 91 P CB 0.694 32.065 31.700 -0.549 0.000 0.807 92 V N -0.304 119.573 119.914 -0.061 0.000 2.951 92 V HA 0.066 4.185 4.120 -0.001 0.000 0.255 92 V C 0.327 176.408 176.094 -0.020 0.000 1.088 92 V CA 1.225 63.496 62.300 -0.049 0.000 1.109 92 V CB -0.582 31.183 31.823 -0.095 0.000 0.724 92 V HN 0.273 nan 8.190 nan 0.000 0.471 93 D N 1.051 121.431 120.400 -0.032 0.000 2.233 93 D HA 0.282 4.921 4.640 -0.001 0.000 0.240 93 D C 0.790 177.119 176.300 0.047 0.000 1.074 93 D CA -0.196 53.787 54.000 -0.028 0.000 0.838 93 D CB 1.924 42.678 40.800 -0.076 0.000 1.124 93 D HN 0.381 nan 8.370 nan 0.000 0.475 94 E N 1.119 121.350 120.200 0.052 0.000 2.204 94 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 94 E C 0.831 177.474 176.600 0.072 0.000 0.990 94 E CA 0.968 57.424 56.400 0.092 0.000 0.821 94 E CB 0.232 29.925 29.700 -0.011 0.000 0.750 94 E HN 0.395 nan 8.360 nan 0.000 0.477 95 E N 0.955 121.151 120.200 -0.007 0.000 2.265 95 E HA -0.162 4.188 4.350 -0.001 0.000 0.196 95 E C 1.267 177.797 176.600 -0.117 0.000 0.996 95 E CA 0.883 57.259 56.400 -0.040 0.000 0.832 95 E CB -0.017 29.657 29.700 -0.045 0.000 0.756 95 E HN 0.214 nan 8.360 nan 0.000 0.491 96 D N -0.663 119.598 120.400 -0.232 0.000 2.289 96 D HA -0.063 4.576 4.640 -0.001 0.000 0.207 96 D C -0.268 175.509 176.300 -0.872 0.000 0.966 96 D CA 0.485 54.172 54.000 -0.521 0.000 0.868 96 D CB 0.091 40.505 40.800 -0.643 0.000 0.943 96 D HN 0.257 nan 8.370 nan 0.000 0.514 97 Y N 1.054 121.009 120.300 -0.575 0.000 2.404 97 Y HA 0.260 4.809 4.550 -0.001 0.000 0.344 97 Y C 1.183 176.946 175.900 -0.229 0.000 0.995 97 Y CA -0.370 57.383 58.100 -0.579 0.000 1.201 97 Y CB 0.833 39.066 38.460 -0.378 0.000 1.151 97 Y HN -0.242 nan 8.280 nan 0.000 0.517 98 T N -1.198 113.383 114.554 0.046 0.000 2.838 98 T HA 0.288 4.637 4.350 -0.001 0.000 0.292 98 T C 0.344 175.276 174.700 0.386 0.000 1.113 98 T CA -0.753 61.484 62.100 0.227 0.000 1.008 98 T CB 0.872 69.865 68.868 0.209 0.000 1.259 98 T HN 0.390 nan 8.240 nan 0.000 0.520 99 F N 1.123 121.260 119.950 0.313 0.000 2.095 99 F HA 0.014 4.541 4.527 -0.001 0.000 0.298 99 F C 2.381 178.411 175.800 0.384 0.000 1.104 99 F CA 1.778 60.018 58.000 0.399 0.000 1.232 99 F CB -0.224 38.998 39.000 0.370 0.000 0.987 99 F HN 0.749 nan 8.300 nan 0.000 0.475 100 E N -0.753 119.710 120.200 0.438 0.000 2.208 100 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 100 E C 2.070 178.855 176.600 0.308 0.000 0.988 100 E CA 0.929 57.518 56.400 0.316 0.000 0.828 100 E CB -0.469 29.417 29.700 0.311 0.000 0.763 100 E HN 0.529 nan 8.360 nan 0.000 0.478 101 F N 1.752 121.805 119.950 0.172 0.000 2.075 101 F HA -0.231 4.295 4.527 -0.001 0.000 0.297 101 F C 2.280 178.247 175.800 0.278 0.000 1.113 101 F CA 1.701 59.809 58.000 0.181 0.000 1.218 101 F CB -0.111 38.873 39.000 -0.027 0.000 0.984 101 F HN 0.039 nan 8.300 nan 0.000 0.472 102 H N -0.087 119.188 119.070 0.342 0.000 2.428 102 H HA -0.034 4.521 4.556 -0.001 0.000 0.296 102 H C 2.413 177.885 175.328 0.240 0.000 1.062 102 H CA 1.524 57.719 56.048 0.247 0.000 1.350 102 H CB -0.425 29.390 29.762 0.088 0.000 1.403 102 H HN 0.326 nan 8.280 nan 0.000 0.533 103 R N 0.779 121.399 120.500 0.199 0.000 2.073 103 R HA -0.091 4.248 4.340 -0.001 0.000 0.229 103 R C 1.726 178.113 176.300 0.145 0.000 1.120 103 R CA 1.077 57.233 56.100 0.093 0.000 0.967 103 R CB 0.187 30.446 30.300 -0.069 0.000 0.862 103 R HN 0.145 nan 8.270 nan 0.000 0.436 104 N N 0.299 119.121 118.700 0.204 0.000 2.309 104 N HA -0.172 4.567 4.740 -0.001 0.000 0.182 104 N C 1.369 177.027 175.510 0.246 0.000 1.018 104 N CA 0.988 54.178 53.050 0.234 0.000 0.876 104 N CB -0.367 38.293 38.487 0.288 0.000 0.972 104 N HN 0.230 nan 8.380 nan 0.000 0.434 105 F N 1.542 121.501 119.950 0.016 0.000 2.134 105 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 105 F C 1.885 177.596 175.800 -0.147 0.000 1.097 105 F CA 1.016 58.818 58.000 -0.331 0.000 1.264 105 F CB -0.490 38.183 39.000 -0.545 0.000 1.001 105 F HN -0.077 nan 8.300 nan 0.000 0.479 106 L N -0.121 120.878 121.223 -0.375 0.000 2.046 106 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 106 L C 2.559 179.258 176.870 -0.286 0.000 1.077 106 L CA 1.165 55.739 54.840 -0.444 0.000 0.747 106 L CB -0.761 41.242 42.059 -0.093 0.000 0.896 106 L HN 0.237 nan 8.230 nan 0.000 0.432 107 L N -0.533 120.620 121.223 -0.117 0.000 2.056 107 L HA -0.180 4.160 4.340 -0.001 0.000 0.207 107 L C 2.875 179.695 176.870 -0.084 0.000 1.078 107 L CA 1.133 55.941 54.840 -0.053 0.000 0.749 107 L CB -0.729 41.342 42.059 0.019 0.000 0.901 107 L HN 0.237 nan 8.230 nan 0.000 0.433 108 A N 0.057 122.831 122.820 -0.077 0.000 1.902 108 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 108 A C 2.270 179.760 177.584 -0.158 0.000 1.181 108 A CA 1.592 53.602 52.037 -0.045 0.000 0.623 108 A CB -0.665 18.392 19.000 0.094 0.000 0.818 108 A HN 0.375 nan 8.150 nan 0.000 0.443 109 L N -0.263 120.750 121.223 -0.349 0.000 2.017 109 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 109 L C 2.285 178.963 176.870 -0.319 0.000 1.073 109 L CA 1.728 56.309 54.840 -0.431 0.000 0.745 109 L CB -0.246 41.370 42.059 -0.739 0.000 0.894 109 L HN 0.427 nan 8.230 nan 0.000 0.432 110 I N -0.435 119.975 120.570 -0.268 0.000 2.286 110 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 110 I C 2.405 178.424 176.117 -0.163 0.000 1.115 110 I CA 0.866 62.041 61.300 -0.209 0.000 1.392 110 I CB -0.425 37.480 38.000 -0.158 0.000 1.065 110 I HN 0.329 nan 8.210 nan 0.000 0.418 111 E N 0.564 120.689 120.200 -0.125 0.000 2.046 111 E HA -0.208 4.141 4.350 -0.001 0.000 0.190 111 E C 2.158 178.708 176.600 -0.083 0.000 0.982 111 E CA 0.915 57.264 56.400 -0.085 0.000 0.800 111 E CB -0.335 29.336 29.700 -0.048 0.000 0.756 111 E HN 0.285 nan 8.360 nan 0.000 0.449 112 R N 1.090 121.534 120.500 -0.092 0.000 2.091 112 R HA -0.045 4.295 4.340 -0.001 0.000 0.238 112 R C 2.197 178.440 176.300 -0.095 0.000 1.136 112 R CA 1.189 57.242 56.100 -0.077 0.000 0.959 112 R CB -0.546 29.706 30.300 -0.080 0.000 0.856 112 R HN 0.157 nan 8.270 nan 0.000 0.437 113 L N 0.021 121.155 121.223 -0.148 0.000 2.558 113 L HA 0.105 4.444 4.340 -0.001 0.000 0.225 113 L C 0.166 176.967 176.870 -0.116 0.000 1.128 113 L CA 0.352 55.106 54.840 -0.142 0.000 0.868 113 L CB -0.330 41.599 42.059 -0.217 0.000 1.006 113 L HN 0.308 nan 8.230 nan 0.000 0.454 114 D N 1.406 121.736 120.400 -0.116 0.000 2.737 114 D HA -0.203 4.436 4.640 -0.001 0.000 0.238 114 D C -0.247 175.975 176.300 -0.130 0.000 1.157 114 D CA 0.499 54.434 54.000 -0.107 0.000 0.694 114 D CB -0.940 39.815 40.800 -0.076 0.000 1.021 114 D HN 0.146 nan 8.370 nan 0.000 0.420 115 L N 1.054 122.176 121.223 -0.170 0.000 2.367 115 L HA 0.426 4.765 4.340 -0.001 0.000 0.275 115 L C 1.384 178.108 176.870 -0.244 0.000 1.129 115 L CA -0.031 54.690 54.840 -0.200 0.000 0.839 115 L CB 0.892 42.813 42.059 -0.230 0.000 1.133 115 L HN 0.052 nan 8.230 nan 0.000 0.453 116 R N 2.216 122.586 120.500 -0.218 0.000 2.855 116 R HA 0.368 4.707 4.340 -0.001 0.000 0.266 116 R C -0.435 175.734 176.300 -0.218 0.000 1.034 116 R CA -1.130 54.834 56.100 -0.227 0.000 0.944 116 R CB 1.411 31.617 30.300 -0.157 0.000 1.219 116 R HN 0.615 nan 8.270 nan 0.000 0.474 117 N N 0.692 119.267 118.700 -0.207 0.000 2.725 117 N HA -0.182 4.558 4.740 -0.001 0.000 0.251 117 N C -0.678 174.688 175.510 -0.241 0.000 1.031 117 N CA 0.855 53.792 53.050 -0.188 0.000 0.720 117 N CB -1.242 37.153 38.487 -0.153 0.000 0.930 117 N HN 0.477 nan 8.380 nan 0.000 0.543 118 I N 0.644 121.046 120.570 -0.280 0.000 2.441 118 I HA 0.048 4.217 4.170 -0.001 0.000 0.287 118 I C 0.828 176.832 176.117 -0.187 0.000 1.049 118 I CA 0.261 61.391 61.300 -0.283 0.000 1.381 118 I CB 0.872 38.626 38.000 -0.411 0.000 1.409 118 I HN -0.092 nan 8.210 nan 0.000 0.523 119 T N 7.685 122.019 114.554 -0.366 0.000 2.781 119 T HA 0.280 4.629 4.350 -0.001 0.000 0.305 119 T C -0.247 174.358 174.700 -0.159 0.000 1.001 119 T CA -0.405 61.462 62.100 -0.388 0.000 0.950 119 T CB 0.429 68.670 68.868 -1.045 0.000 0.955 119 T HN 0.208 nan 8.240 nan 0.000 0.471 120 L N 6.502 127.765 121.223 0.066 0.000 2.361 120 L HA 0.381 4.720 4.340 -0.001 0.000 0.278 120 L C -0.580 176.341 176.870 0.085 0.000 1.113 120 L CA 0.171 55.075 54.840 0.107 0.000 0.849 120 L CB 0.287 42.446 42.059 0.167 0.000 1.155 120 L HN 0.356 nan 8.230 nan 0.000 0.452 121 V N 6.748 126.706 119.914 0.073 0.000 2.334 121 V HA 0.602 4.721 4.120 -0.001 0.000 0.281 121 V C -0.075 176.094 176.094 0.125 0.000 1.016 121 V CA -0.395 61.986 62.300 0.135 0.000 0.832 121 V CB 1.303 33.225 31.823 0.165 0.000 0.999 121 V HN 0.677 nan 8.190 nan 0.000 0.439 122 V N 2.124 122.112 119.914 0.122 0.000 3.141 122 V HA 0.908 5.027 4.120 -0.001 0.000 0.312 122 V C -0.953 175.165 176.094 0.039 0.000 1.157 122 V CA -0.545 61.807 62.300 0.087 0.000 1.041 122 V CB 2.202 34.016 31.823 -0.016 0.000 1.071 122 V HN 0.866 nan 8.190 nan 0.000 0.441 123 Q N 0.877 120.652 119.800 -0.041 0.000 2.574 123 Q HA 0.256 4.595 4.340 -0.001 0.000 0.265 123 Q C -0.528 175.270 176.000 -0.336 0.000 0.975 123 Q CA 0.508 56.200 55.803 -0.186 0.000 0.923 123 Q CB 2.276 30.938 28.738 -0.126 0.000 1.518 123 Q HN 1.238 nan 8.270 nan 0.000 0.401 124 D N 1.458 121.513 120.400 -0.575 0.000 3.608 124 D HA -0.289 4.350 4.640 -0.001 0.000 0.152 124 D C 0.238 175.662 176.300 -1.459 0.000 0.971 124 D CA 2.749 56.207 54.000 -0.904 0.000 1.072 124 D CB -1.058 39.498 40.800 -0.407 0.000 0.507 124 D HN 0.680 nan 8.370 nan 0.000 0.520 125 W N 0.266 120.916 121.300 -1.084 0.000 2.421 125 W HA 0.135 4.794 4.660 -0.001 0.000 0.270 125 W C 2.487 178.746 176.519 -0.433 0.000 1.233 125 W CA 1.020 57.810 57.345 -0.926 0.000 1.226 125 W CB -0.543 28.203 29.460 -1.190 0.000 1.121 125 W HN 0.425 nan 8.180 nan 0.000 0.579 126 G N -0.200 108.564 108.800 -0.059 0.000 2.448 126 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.219 126 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.219 126 G C 1.678 176.596 174.900 0.030 0.000 1.127 126 G CA 1.156 46.331 45.100 0.126 0.000 0.766 126 G HN 0.403 nan 8.290 nan 0.000 0.552 127 G N 0.128 108.835 108.800 -0.153 0.000 2.490 127 G HA2 0.098 4.057 3.960 -0.001 0.000 0.211 127 G HA3 0.098 4.057 3.960 -0.001 0.000 0.211 127 G C 1.482 176.398 174.900 0.026 0.000 1.159 127 G CA 0.284 45.315 45.100 -0.115 0.000 0.819 127 G HN 0.214 nan 8.290 nan 0.000 0.539 128 F N 1.149 120.995 119.950 -0.173 0.000 2.120 128 F HA 0.020 4.547 4.527 -0.001 0.000 0.300 128 F C 2.452 178.337 175.800 0.142 0.000 1.095 128 F CA 0.503 58.409 58.000 -0.156 0.000 1.249 128 F CB -0.926 37.738 39.000 -0.560 0.000 0.995 128 F HN 0.062 nan 8.300 nan 0.000 0.480 129 L N -1.155 120.267 121.223 0.332 0.000 2.145 129 L HA 0.115 4.454 4.340 -0.001 0.000 0.201 129 L C 2.801 179.769 176.870 0.164 0.000 1.075 129 L CA 1.012 55.976 54.840 0.206 0.000 0.773 129 L CB -1.338 40.835 42.059 0.189 0.000 0.936 129 L HN 0.141 nan 8.230 nan 0.000 0.451 130 G N 0.439 109.330 108.800 0.152 0.000 2.440 130 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 130 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 130 G C 1.566 176.501 174.900 0.059 0.000 1.154 130 G CA 0.672 45.827 45.100 0.091 0.000 0.767 130 G HN 0.230 nan 8.290 nan 0.000 0.552 131 L N 1.328 122.611 121.223 0.100 0.000 2.450 131 L HA -0.018 4.321 4.340 -0.001 0.000 0.224 131 L C 2.832 179.875 176.870 0.288 0.000 1.149 131 L CA 1.401 56.378 54.840 0.228 0.000 0.816 131 L CB -0.366 41.745 42.059 0.086 0.000 0.932 131 L HN 0.438 nan 8.230 nan 0.000 0.449 132 T N -4.392 110.246 114.554 0.141 0.000 3.086 132 T HA 0.159 4.508 4.350 -0.001 0.000 0.250 132 T C 1.571 176.206 174.700 -0.109 0.000 1.074 132 T CA -0.102 62.039 62.100 0.068 0.000 0.988 132 T CB 0.064 69.070 68.868 0.231 0.000 0.988 132 T HN 0.186 nan 8.240 nan 0.000 0.530 133 L N 0.592 121.702 121.223 -0.188 0.000 2.068 133 L HA 0.162 4.501 4.340 -0.001 0.000 0.204 133 L C -0.449 176.100 176.870 -0.537 0.000 1.076 133 L CA 0.674 55.360 54.840 -0.256 0.000 0.753 133 L CB -1.477 40.500 42.059 -0.137 0.000 0.910 133 L HN 0.159 nan 8.230 nan 0.000 0.439 134 P HA -0.229 nan 4.420 nan 0.000 0.216 134 P C 1.865 178.595 177.300 -0.949 0.000 1.153 134 P CA 1.682 64.006 63.100 -1.294 0.000 0.858 134 P CB -0.174 30.585 31.700 -1.569 0.000 0.789 135 M N -2.532 116.331 119.600 -1.229 0.000 2.446 135 M HA 0.002 4.481 4.480 -0.001 0.000 0.263 135 M C 1.786 177.932 176.300 -0.256 0.000 1.066 135 M CA 2.153 57.017 55.300 -0.725 0.000 1.087 135 M CB -0.841 31.444 32.600 -0.525 0.000 1.406 135 M HN -0.185 nan 8.290 nan 0.000 0.459 136 A N -0.266 122.432 122.820 -0.203 0.000 2.021 136 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 136 A C 0.691 178.274 177.584 -0.002 0.000 1.163 136 A CA 1.026 53.027 52.037 -0.060 0.000 0.676 136 A CB 0.119 19.102 19.000 -0.027 0.000 0.818 136 A HN 0.580 nan 8.150 nan 0.000 0.453 137 D N -1.839 118.581 120.400 0.034 0.000 2.934 137 D HA 0.135 4.774 4.640 -0.001 0.000 0.249 137 D C -2.297 174.118 176.300 0.192 0.000 1.293 137 D CA -0.836 53.221 54.000 0.094 0.000 0.812 137 D CB 0.917 41.771 40.800 0.090 0.000 1.439 137 D HN 0.045 nan 8.370 nan 0.000 0.555 138 P HA -0.170 nan 4.420 nan 0.000 0.218 138 P C 1.332 178.782 177.300 0.249 0.000 1.148 138 P CA 0.931 64.182 63.100 0.252 0.000 0.822 138 P CB 0.166 32.015 31.700 0.248 0.000 0.784 139 S N -0.317 115.460 115.700 0.128 0.000 2.474 139 S HA -0.049 4.420 4.470 -0.001 0.000 0.235 139 S C 1.994 176.595 174.600 0.002 0.000 0.997 139 S CA 0.405 58.639 58.200 0.057 0.000 0.949 139 S CB -0.844 62.365 63.200 0.016 0.000 0.766 139 S HN 0.158 nan 8.310 nan 0.000 0.517 140 R N -0.376 120.100 120.500 -0.039 0.000 2.240 140 R HA 0.265 4.604 4.340 -0.001 0.000 0.203 140 R C -0.606 175.410 176.300 -0.475 0.000 1.011 140 R CA 0.319 56.242 56.100 -0.296 0.000 1.007 140 R CB -0.015 30.002 30.300 -0.472 0.000 0.911 140 R HN 0.419 nan 8.270 nan 0.000 0.468 141 F N 0.146 120.120 119.950 0.040 0.000 2.421 141 F HA 0.284 4.810 4.527 -0.001 0.000 0.337 141 F C 1.287 177.174 175.800 0.146 0.000 1.105 141 F CA -0.577 57.489 58.000 0.109 0.000 1.049 141 F CB 1.665 40.783 39.000 0.195 0.000 1.139 141 F HN -0.310 nan 8.300 nan 0.000 0.479 142 K N 1.813 122.359 120.400 0.243 0.000 2.362 142 K HA 0.358 4.678 4.320 -0.001 0.000 0.203 142 K C 0.253 176.949 176.600 0.160 0.000 1.198 142 K CA 0.277 56.611 56.287 0.078 0.000 0.908 142 K CB 0.710 33.150 32.500 -0.099 0.000 1.236 142 K HN 0.648 nan 8.250 nan 0.000 0.487 143 R N -0.151 120.480 120.500 0.217 0.000 2.869 143 R HA 0.497 4.836 4.340 -0.001 0.000 0.263 143 R C -1.733 174.783 176.300 0.359 0.000 1.066 143 R CA -1.003 55.228 56.100 0.218 0.000 0.960 143 R CB 1.548 31.560 30.300 -0.480 0.000 1.221 143 R HN 0.028 nan 8.270 nan 0.000 0.474 144 L N 1.049 122.508 121.223 0.393 0.000 2.505 144 L HA 0.530 4.869 4.340 -0.001 0.000 0.266 144 L C -1.696 175.405 176.870 0.385 0.000 0.954 144 L CA -0.221 54.775 54.840 0.260 0.000 0.852 144 L CB 1.958 44.016 42.059 -0.001 0.000 1.282 144 L HN 0.550 nan 8.230 nan 0.000 0.403 145 I N 6.519 127.271 120.570 0.304 0.000 2.390 145 I HA 0.435 4.604 4.170 -0.001 0.000 0.283 145 I C -0.689 175.525 176.117 0.161 0.000 1.016 145 I CA -0.378 61.130 61.300 0.347 0.000 1.151 145 I CB 1.645 39.895 38.000 0.417 0.000 1.293 145 I HN 0.549 nan 8.210 nan 0.000 0.458 146 I N 7.352 127.955 120.570 0.056 0.000 2.362 146 I HA 0.487 4.657 4.170 -0.001 0.000 0.289 146 I C -0.818 175.246 176.117 -0.088 0.000 0.994 146 I CA -0.380 60.874 61.300 -0.077 0.000 1.158 146 I CB 1.010 38.875 38.000 -0.224 0.000 1.315 146 I HN 0.591 nan 8.210 nan 0.000 0.451 147 M N 5.262 124.814 119.600 -0.080 0.000 2.644 147 M HA 0.390 4.869 4.480 -0.001 0.000 0.316 147 M C -0.082 176.096 176.300 -0.204 0.000 1.200 147 M CA -0.898 54.334 55.300 -0.113 0.000 0.944 147 M CB 1.421 33.994 32.600 -0.046 0.000 1.691 147 M HN 0.458 nan 8.290 nan 0.000 0.471 148 N N 1.962 120.516 118.700 -0.243 0.000 2.391 148 N HA 0.026 4.765 4.740 -0.001 0.000 0.316 148 N C -1.040 174.264 175.510 -0.342 0.000 1.189 148 N CA 0.652 53.522 53.050 -0.300 0.000 0.861 148 N CB -0.498 37.785 38.487 -0.340 0.000 1.098 148 N HN 0.752 nan 8.380 nan 0.000 0.558 149 A N 0.045 122.681 122.820 -0.307 0.000 2.511 149 A HA 0.820 5.139 4.320 -0.001 0.000 0.293 149 A C -0.426 176.985 177.584 -0.289 0.000 1.098 149 A CA -0.249 51.625 52.037 -0.272 0.000 0.643 149 A CB 0.601 19.423 19.000 -0.297 0.000 1.302 149 A HN 1.099 nan 8.150 nan 0.000 0.446 150 C N -1.871 117.296 119.300 -0.222 0.000 3.255 150 C HA 0.793 5.252 4.460 -0.001 0.000 0.370 150 C C -1.718 172.969 174.990 -0.505 0.000 1.823 150 C CA -0.835 57.773 59.018 -0.683 0.000 1.131 150 C CB -0.066 26.825 27.740 -1.415 0.000 2.141 150 C HN 1.053 nan 8.230 nan 0.000 0.419 151 L N 1.368 122.159 121.223 -0.721 0.000 2.346 151 L HA 0.535 4.874 4.340 -0.001 0.000 0.276 151 L C 0.319 176.999 176.870 -0.316 0.000 1.006 151 L CA -0.598 54.062 54.840 -0.299 0.000 0.817 151 L CB 1.789 43.839 42.059 -0.014 0.000 1.272 151 L HN 0.611 nan 8.230 nan 0.000 0.421 152 M N 2.333 121.713 119.600 -0.368 0.000 3.742 152 M HA 0.088 4.567 4.480 -0.001 0.000 0.197 152 M C 0.475 176.654 176.300 -0.202 0.000 1.417 152 M CA 0.249 55.323 55.300 -0.377 0.000 1.653 152 M CB -0.987 31.337 32.600 -0.460 0.000 1.079 152 M HN 0.621 nan 8.290 nan 0.000 0.558 153 T N 0.290 114.802 114.554 -0.070 0.000 2.770 153 T HA 0.179 4.529 4.350 -0.001 0.000 0.281 153 T C 0.211 174.879 174.700 -0.053 0.000 0.981 153 T CA -0.641 61.438 62.100 -0.035 0.000 0.955 153 T CB 0.897 69.790 68.868 0.041 0.000 1.060 153 T HN 0.622 nan 8.240 nan 0.000 0.531 154 D N 1.208 121.578 120.400 -0.050 0.000 2.357 154 D HA 0.143 4.782 4.640 -0.001 0.000 0.242 154 D C -1.965 174.296 176.300 -0.064 0.000 1.153 154 D CA -1.469 52.496 54.000 -0.059 0.000 0.918 154 D CB 0.617 41.389 40.800 -0.047 0.000 1.181 154 D HN 0.237 nan 8.370 nan 0.000 0.435 155 P HA -0.116 nan 4.420 nan 0.000 0.219 155 P C 1.591 178.843 177.300 -0.080 0.000 1.146 155 P CA 0.546 63.596 63.100 -0.084 0.000 0.808 155 P CB 0.215 31.867 31.700 -0.081 0.000 0.779 156 V N -0.756 119.119 119.914 -0.065 0.000 2.323 156 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 156 V C 2.300 178.352 176.094 -0.070 0.000 1.041 156 V CA 2.389 64.653 62.300 -0.060 0.000 1.025 156 V CB -1.783 30.014 31.823 -0.044 0.000 0.656 156 V HN 0.156 nan 8.190 nan 0.000 0.451 157 T N -0.742 113.773 114.554 -0.066 0.000 2.684 157 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 157 T C 0.855 175.481 174.700 -0.122 0.000 1.036 157 T CA 1.182 63.241 62.100 -0.069 0.000 1.148 157 T CB -0.119 68.724 68.868 -0.042 0.000 0.863 157 T HN 0.334 nan 8.240 nan 0.000 0.436 158 Q N 0.152 119.851 119.800 -0.169 0.000 2.786 158 Q HA 0.219 4.558 4.340 -0.001 0.000 0.240 158 Q C -2.172 173.653 176.000 -0.292 0.000 0.928 158 Q CA -1.703 53.896 55.803 -0.340 0.000 0.721 158 Q CB 2.030 30.398 28.738 -0.617 0.000 1.318 158 Q HN 0.235 nan 8.270 nan 0.000 0.474 159 P HA -0.174 nan 4.420 nan 0.000 0.218 159 P C 0.989 178.221 177.300 -0.114 0.000 1.148 159 P CA 1.280 64.296 63.100 -0.139 0.000 0.822 159 P CB 0.335 31.971 31.700 -0.106 0.000 0.784 160 A N -0.476 122.236 122.820 -0.179 0.000 2.019 160 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 160 A C 1.554 179.304 177.584 0.277 0.000 1.164 160 A CA 1.170 53.192 52.037 -0.025 0.000 0.644 160 A CB -1.440 17.500 19.000 -0.100 0.000 0.805 160 A HN 0.082 nan 8.150 nan 0.000 0.449 161 F N -0.571 119.388 119.950 0.014 0.000 2.731 161 F HA 0.291 4.817 4.527 -0.001 0.000 0.304 161 F C 1.749 177.487 175.800 -0.102 0.000 1.133 161 F CA -0.018 58.006 58.000 0.040 0.000 1.380 161 F CB -0.531 38.431 39.000 -0.063 0.000 1.079 161 F HN 0.145 nan 8.300 nan 0.000 0.550 162 S N -1.128 114.537 115.700 -0.058 0.000 2.692 162 S HA 0.281 4.750 4.470 -0.001 0.000 0.269 162 S C 2.054 176.414 174.600 -0.399 0.000 1.080 162 S CA 0.412 58.409 58.200 -0.339 0.000 1.058 162 S CB 0.121 63.201 63.200 -0.201 0.000 0.982 162 S HN 0.173 nan 8.310 nan 0.000 0.534 163 A N 1.726 124.441 122.820 -0.175 0.000 1.940 163 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 163 A C 1.787 179.318 177.584 -0.088 0.000 1.176 163 A CA 1.813 53.793 52.037 -0.096 0.000 0.631 163 A CB -1.044 17.956 19.000 0.000 0.000 0.814 163 A HN 0.678 nan 8.150 nan 0.000 0.446 164 F N -0.510 119.416 119.950 -0.040 0.000 2.451 164 F HA -0.011 4.515 4.527 -0.001 0.000 0.299 164 F C 1.636 177.430 175.800 -0.011 0.000 1.101 164 F CA 0.894 58.879 58.000 -0.026 0.000 1.436 164 F CB -1.055 37.911 39.000 -0.057 0.000 1.074 164 F HN -0.033 nan 8.300 nan 0.000 0.553 165 V N 1.319 120.767 119.914 -0.777 0.000 2.343 165 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 165 V C 2.610 178.731 176.094 0.046 0.000 1.051 165 V CA 2.558 64.574 62.300 -0.473 0.000 1.036 165 V CB -1.204 30.252 31.823 -0.612 0.000 0.654 165 V HN 0.704 nan 8.190 nan 0.000 0.451 166 T N -3.703 110.842 114.554 -0.014 0.000 3.040 166 T HA 0.160 4.509 4.350 -0.001 0.000 0.252 166 T C 0.704 175.453 174.700 0.082 0.000 1.064 166 T CA 0.114 62.246 62.100 0.055 0.000 1.110 166 T CB 0.273 69.148 68.868 0.012 0.000 0.921 166 T HN 0.477 nan 8.240 nan 0.000 0.480 167 Q N 1.465 121.315 119.800 0.084 0.000 2.359 167 Q HA 0.468 4.807 4.340 -0.001 0.000 0.274 167 Q C -2.965 173.117 176.000 0.137 0.000 1.074 167 Q CA -2.420 53.441 55.803 0.097 0.000 0.810 167 Q CB 3.079 31.854 28.738 0.063 0.000 1.342 167 Q HN 0.188 nan 8.270 nan 0.000 0.427 168 P HA 0.126 nan 4.420 nan 0.000 0.276 168 P C -0.240 177.139 177.300 0.133 0.000 1.252 168 P CA -0.010 63.157 63.100 0.112 0.000 0.802 168 P CB 1.025 32.785 31.700 0.100 0.000 1.035 169 A N 1.944 124.824 122.820 0.101 0.000 1.940 169 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 169 A C 1.423 179.087 177.584 0.132 0.000 1.176 169 A CA 2.167 54.263 52.037 0.098 0.000 0.631 169 A CB -1.380 17.653 19.000 0.054 0.000 0.814 169 A HN 0.678 nan 8.150 nan 0.000 0.446 170 D N -0.844 119.636 120.400 0.133 0.000 2.319 170 D HA 0.238 4.877 4.640 -0.001 0.000 0.230 170 D C 0.979 177.461 176.300 0.303 0.000 1.094 170 D CA 0.721 54.825 54.000 0.172 0.000 0.856 170 D CB -0.525 40.325 40.800 0.084 0.000 0.915 170 D HN 0.295 nan 8.370 nan 0.000 0.517 171 G N 0.150 109.129 108.800 0.299 0.000 3.411 171 G HA2 0.135 4.094 3.960 -0.001 0.000 0.186 171 G HA3 0.135 4.094 3.960 -0.001 0.000 0.186 171 G C 0.553 175.672 174.900 0.365 0.000 1.766 171 G CA -0.352 44.955 45.100 0.346 0.000 0.971 171 G HN 0.133 nan 8.290 nan 0.000 0.590 172 F N 1.497 121.551 119.950 0.174 0.000 2.202 172 F HA -0.077 4.449 4.527 -0.001 0.000 0.301 172 F C 2.850 178.806 175.800 0.260 0.000 1.082 172 F CA 2.233 60.322 58.000 0.148 0.000 1.313 172 F CB -0.327 38.806 39.000 0.220 0.000 1.024 172 F HN 0.221 nan 8.300 nan 0.000 0.495 173 T N 0.371 115.056 114.554 0.220 0.000 2.684 173 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 173 T C 2.215 177.001 174.700 0.144 0.000 1.036 173 T CA 1.533 63.714 62.100 0.135 0.000 1.148 173 T CB -0.755 68.209 68.868 0.160 0.000 0.863 173 T HN 0.380 nan 8.240 nan 0.000 0.436 174 A N 1.237 124.212 122.820 0.259 0.000 1.929 174 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 174 A C 2.134 180.005 177.584 0.479 0.000 1.176 174 A CA 1.127 53.401 52.037 0.395 0.000 0.628 174 A CB -0.980 18.307 19.000 0.478 0.000 0.816 174 A HN 0.744 nan 8.150 nan 0.000 0.444 175 W N 1.294 122.614 121.300 0.033 0.000 2.333 175 W HA -0.231 4.428 4.660 -0.001 0.000 0.316 175 W C 1.993 178.397 176.519 -0.192 0.000 1.215 175 W CA 2.353 59.477 57.345 -0.369 0.000 1.278 175 W CB -0.484 28.536 29.460 -0.734 0.000 1.154 175 W HN 0.378 nan 8.180 nan 0.000 0.486 176 K N -0.506 119.828 120.400 -0.109 0.000 2.057 176 K HA -0.298 4.022 4.320 -0.001 0.000 0.207 176 K C 2.292 178.875 176.600 -0.027 0.000 1.049 176 K CA 1.870 58.047 56.287 -0.182 0.000 0.931 176 K CB -1.072 31.183 32.500 -0.407 0.000 0.714 176 K HN 0.160 nan 8.250 nan 0.000 0.440 177 Y N 2.075 122.357 120.300 -0.031 0.000 2.128 177 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 177 Y C 1.547 177.471 175.900 0.039 0.000 1.154 177 Y CA 2.164 60.278 58.100 0.024 0.000 1.149 177 Y CB -0.323 38.178 38.460 0.068 0.000 0.976 177 Y HN 0.204 nan 8.280 nan 0.000 0.505 178 D N 0.002 120.453 120.400 0.086 0.000 2.178 178 D HA -0.162 4.477 4.640 -0.001 0.000 0.201 178 D C 2.120 178.371 176.300 -0.082 0.000 0.980 178 D CA 1.574 55.623 54.000 0.081 0.000 0.842 178 D CB -0.223 40.848 40.800 0.451 0.000 0.948 178 D HN 0.430 nan 8.370 nan 0.000 0.472 179 L N -0.183 120.914 121.223 -0.210 0.000 2.168 179 L HA -0.006 4.334 4.340 -0.001 0.000 0.203 179 L C 2.297 179.014 176.870 -0.255 0.000 1.078 179 L CA 0.424 55.051 54.840 -0.355 0.000 0.780 179 L CB -0.094 41.658 42.059 -0.513 0.000 0.939 179 L HN -0.007 nan 8.230 nan 0.000 0.451 180 V N -4.392 115.409 119.914 -0.189 0.000 3.354 180 V HA -0.002 4.117 4.120 -0.001 0.000 0.258 180 V C 2.137 178.143 176.094 -0.146 0.000 1.159 180 V CA 1.205 63.423 62.300 -0.137 0.000 1.125 180 V CB -0.544 31.243 31.823 -0.060 0.000 0.774 180 V HN 0.525 nan 8.190 nan 0.000 0.464 181 T N -2.054 112.364 114.554 -0.226 0.000 3.010 181 T HA 0.283 4.632 4.350 -0.001 0.000 0.252 181 T C -1.041 173.541 174.700 -0.198 0.000 1.047 181 T CA 0.015 61.975 62.100 -0.233 0.000 1.140 181 T CB -1.410 67.231 68.868 -0.378 0.000 0.885 181 T HN 0.507 nan 8.240 nan 0.000 0.464 182 P HA 0.250 nan 4.420 nan 0.000 0.267 182 P C 0.896 178.133 177.300 -0.105 0.000 1.205 182 P CA 0.019 63.035 63.100 -0.140 0.000 0.765 182 P CB 1.125 32.749 31.700 -0.126 0.000 0.828 183 S N 0.821 116.476 115.700 -0.074 0.000 2.383 183 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 183 S C 0.811 175.377 174.600 -0.056 0.000 1.026 183 S CA 0.838 59.003 58.200 -0.059 0.000 0.981 183 S CB -0.289 62.888 63.200 -0.040 0.000 0.818 183 S HN 0.491 nan 8.310 nan 0.000 0.472 184 D N 1.172 121.542 120.400 -0.051 0.000 2.458 184 D HA 0.341 4.980 4.640 -0.001 0.000 0.258 184 D C -1.072 175.197 176.300 -0.052 0.000 1.134 184 D CA -0.671 53.304 54.000 -0.043 0.000 0.915 184 D CB 0.614 41.399 40.800 -0.025 0.000 1.028 184 D HN 0.234 nan 8.370 nan 0.000 0.508 185 L N 3.855 125.030 121.223 -0.080 0.000 2.369 185 L HA 0.333 4.672 4.340 -0.001 0.000 0.279 185 L C -0.127 176.700 176.870 -0.072 0.000 1.108 185 L CA 0.145 54.925 54.840 -0.100 0.000 0.852 185 L CB 0.267 42.219 42.059 -0.179 0.000 1.169 185 L HN 0.183 nan 8.230 nan 0.000 0.452 186 R N 6.032 126.519 120.500 -0.022 0.000 2.247 186 R HA 0.262 4.602 4.340 -0.001 0.000 0.329 186 R C 0.790 177.129 176.300 0.064 0.000 1.014 186 R CA -0.427 55.684 56.100 0.018 0.000 0.907 186 R CB 0.769 31.089 30.300 0.034 0.000 1.146 186 R HN 0.787 nan 8.270 nan 0.000 0.499 187 L N 1.917 123.169 121.223 0.049 0.000 2.275 187 L HA -0.198 4.142 4.340 -0.001 0.000 0.215 187 L C 1.853 178.852 176.870 0.215 0.000 1.119 187 L CA 1.065 55.972 54.840 0.111 0.000 0.790 187 L CB -0.243 41.864 42.059 0.080 0.000 0.919 187 L HN 0.648 nan 8.230 nan 0.000 0.443 188 D N -0.525 119.978 120.400 0.171 0.000 2.149 188 D HA -0.225 4.414 4.640 -0.001 0.000 0.201 188 D C 1.845 178.238 176.300 0.156 0.000 0.972 188 D CA 1.071 55.172 54.000 0.170 0.000 0.835 188 D CB -0.278 40.587 40.800 0.109 0.000 0.966 188 D HN 0.405 nan 8.370 nan 0.000 0.476 189 Q N -0.795 119.090 119.800 0.141 0.000 2.123 189 Q HA -0.022 4.317 4.340 -0.001 0.000 0.199 189 Q C 2.050 178.151 176.000 0.167 0.000 0.966 189 Q CA 0.662 56.538 55.803 0.122 0.000 0.845 189 Q CB -0.241 28.554 28.738 0.094 0.000 0.907 189 Q HN 0.295 nan 8.270 nan 0.000 0.439 190 F N 1.161 121.160 119.950 0.083 0.000 2.075 190 F HA -0.244 4.282 4.527 -0.002 0.000 0.297 190 F C 2.041 177.984 175.800 0.239 0.000 1.113 190 F CA 1.281 59.371 58.000 0.151 0.000 1.218 190 F CB 0.004 39.020 39.000 0.028 0.000 0.984 190 F HN 0.007 nan 8.300 nan 0.000 0.472 191 M N 0.342 120.132 119.600 0.318 0.000 2.213 191 M HA -0.172 4.307 4.480 -0.001 0.000 0.263 191 M C 2.054 178.412 176.300 0.097 0.000 1.062 191 M CA 1.495 56.881 55.300 0.144 0.000 1.105 191 M CB -1.160 31.435 32.600 -0.009 0.000 1.385 191 M HN 0.187 nan 8.290 nan 0.000 0.417 192 K N -0.370 120.087 120.400 0.094 0.000 2.148 192 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 192 K C 2.164 178.767 176.600 0.004 0.000 1.050 192 K CA 0.979 57.304 56.287 0.062 0.000 0.942 192 K CB -0.049 32.485 32.500 0.057 0.000 0.724 192 K HN 0.261 nan 8.250 nan 0.000 0.446 193 R N -0.197 120.265 120.500 -0.063 0.000 2.062 193 R HA -0.117 4.223 4.340 -0.001 0.000 0.229 193 R C 1.279 177.365 176.300 -0.358 0.000 1.128 193 R CA 1.370 57.319 56.100 -0.251 0.000 0.960 193 R CB -0.119 29.959 30.300 -0.370 0.000 0.855 193 R HN 0.194 nan 8.270 nan 0.000 0.432 194 W N -0.232 120.997 121.300 -0.119 0.000 3.139 194 W HA 0.319 4.978 4.660 -0.002 0.000 0.260 194 W C 0.231 176.920 176.519 0.283 0.000 1.312 194 W CA 0.159 57.547 57.345 0.070 0.000 1.606 194 W CB 0.619 30.122 29.460 0.072 0.000 1.118 194 W HN 0.134 nan 8.180 nan 0.000 0.675 195 A N -0.222 122.799 122.820 0.334 0.000 3.300 195 A HA 0.370 4.689 4.320 -0.001 0.000 0.300 195 A C -1.987 175.703 177.584 0.177 0.000 1.099 195 A CA -0.847 51.381 52.037 0.318 0.000 0.846 195 A CB 0.208 19.379 19.000 0.285 0.000 1.255 195 A HN -0.133 nan 8.150 nan 0.000 0.519 196 P HA -0.173 nan 4.420 nan 0.000 0.222 196 P C 1.512 178.865 177.300 0.089 0.000 1.142 196 P CA 2.179 65.324 63.100 0.075 0.000 0.788 196 P CB 0.055 31.782 31.700 0.045 0.000 0.767 197 T N -4.857 109.774 114.554 0.127 0.000 3.081 197 T HA 0.143 4.493 4.350 -0.001 0.000 0.250 197 T C 0.723 175.458 174.700 0.058 0.000 1.100 197 T CA -0.115 62.042 62.100 0.094 0.000 1.038 197 T CB -0.640 68.300 68.868 0.120 0.000 0.962 197 T HN -0.036 nan 8.240 nan 0.000 0.516 198 L N 3.160 124.434 121.223 0.085 0.000 2.467 198 L HA 0.283 4.622 4.340 -0.001 0.000 0.270 198 L C 1.314 178.228 176.870 0.072 0.000 1.205 198 L CA -0.455 54.440 54.840 0.091 0.000 0.828 198 L CB 0.444 42.587 42.059 0.139 0.000 1.101 198 L HN 0.349 nan 8.230 nan 0.000 0.479 199 T N -2.246 112.350 114.554 0.069 0.000 2.847 199 T HA 0.161 4.511 4.350 -0.001 0.000 0.279 199 T C 0.938 175.676 174.700 0.063 0.000 0.984 199 T CA -0.868 61.263 62.100 0.053 0.000 0.988 199 T CB 1.309 70.201 68.868 0.040 0.000 1.040 199 T HN 0.519 nan 8.240 nan 0.000 0.528 200 E N 0.551 120.779 120.200 0.046 0.000 2.077 200 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 200 E C 2.429 179.054 176.600 0.042 0.000 0.989 200 E CA 1.497 57.923 56.400 0.043 0.000 0.800 200 E CB -0.835 28.881 29.700 0.028 0.000 0.746 200 E HN 0.816 nan 8.360 nan 0.000 0.452 201 A N 1.523 124.365 122.820 0.036 0.000 1.902 201 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 201 A C 2.050 179.652 177.584 0.031 0.000 1.181 201 A CA 1.595 53.648 52.037 0.027 0.000 0.623 201 A CB -0.444 18.576 19.000 0.032 0.000 0.818 201 A HN 0.218 nan 8.150 nan 0.000 0.443 202 E N -0.245 120.004 120.200 0.083 0.000 2.072 202 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 202 E C 2.320 178.992 176.600 0.120 0.000 0.985 202 E CA 0.896 57.380 56.400 0.140 0.000 0.801 202 E CB -0.300 29.528 29.700 0.213 0.000 0.750 202 E HN 0.610 nan 8.360 nan 0.000 0.452 203 A N 1.050 123.973 122.820 0.171 0.000 1.933 203 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 203 A C 2.266 179.944 177.584 0.156 0.000 1.175 203 A CA 1.749 53.930 52.037 0.241 0.000 0.628 203 A CB -0.665 18.433 19.000 0.162 0.000 0.814 203 A HN 0.230 nan 8.150 nan 0.000 0.444 204 S N -0.227 115.499 115.700 0.043 0.000 2.383 204 S HA -0.084 4.385 4.470 -0.001 0.000 0.229 204 S C 2.096 176.636 174.600 -0.099 0.000 1.030 204 S CA 1.567 59.758 58.200 -0.015 0.000 1.002 204 S CB -0.469 62.710 63.200 -0.034 0.000 0.829 204 S HN 0.856 nan 8.310 nan 0.000 0.467 205 A N -0.321 122.340 122.820 -0.264 0.000 2.019 205 A HA -0.001 4.318 4.320 -0.001 0.000 0.219 205 A C 1.754 179.153 177.584 -0.309 0.000 1.164 205 A CA 1.332 53.050 52.037 -0.531 0.000 0.644 205 A CB -0.836 17.281 19.000 -1.472 0.000 0.805 205 A HN 0.707 nan 8.150 nan 0.000 0.449 206 Y N -0.853 119.462 120.300 0.025 0.000 2.519 206 Y HA 0.206 4.756 4.550 -0.000 0.000 0.287 206 Y C 2.528 178.559 175.900 0.219 0.000 1.128 206 Y CA 0.390 58.630 58.100 0.232 0.000 1.282 206 Y CB -0.175 38.398 38.460 0.187 0.000 1.027 206 Y HN 0.325 nan 8.280 nan 0.000 0.551 207 A N -0.543 122.399 122.820 0.203 0.000 2.095 207 A HA 0.264 4.584 4.320 -0.001 0.000 0.212 207 A C 2.344 179.904 177.584 -0.040 0.000 1.162 207 A CA 0.777 52.902 52.037 0.146 0.000 0.753 207 A CB -0.743 18.301 19.000 0.072 0.000 0.840 207 A HN 0.287 nan 8.150 nan 0.000 0.468 208 A N 1.205 123.917 122.820 -0.181 0.000 1.927 208 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 208 A C -0.024 177.104 177.584 -0.759 0.000 1.185 208 A CA 2.191 53.956 52.037 -0.454 0.000 0.639 208 A CB -1.688 17.042 19.000 -0.450 0.000 0.820 208 A HN 0.448 nan 8.150 nan 0.000 0.451 209 P HA 0.015 nan 4.420 nan 0.000 0.233 209 P C -0.359 176.186 177.300 -1.257 0.000 1.167 209 P CA 0.690 63.120 63.100 -1.117 0.000 0.770 209 P CB -0.037 30.798 31.700 -1.441 0.000 0.837 210 F N -1.423 118.297 119.950 -0.382 0.000 2.451 210 F HA 0.376 4.902 4.527 -0.001 0.000 0.367 210 F C -1.676 173.867 175.800 -0.428 0.000 1.100 210 F CA -2.468 55.305 58.000 -0.379 0.000 1.171 210 F CB 0.868 39.762 39.000 -0.177 0.000 1.405 210 F HN -0.167 nan 8.300 nan 0.000 0.482 211 P HA -0.108 nan 4.420 nan 0.000 0.216 211 P C -0.460 176.767 177.300 -0.121 0.000 1.150 211 P CA 1.575 64.435 63.100 -0.399 0.000 0.837 211 P CB 0.160 31.519 31.700 -0.569 0.000 0.786 212 D N -5.725 114.699 120.400 0.039 0.000 2.692 212 D HA 0.063 4.702 4.640 -0.001 0.000 0.303 212 D C 0.704 177.121 176.300 0.195 0.000 1.278 212 D CA -0.304 53.776 54.000 0.134 0.000 0.852 212 D CB -0.458 40.421 40.800 0.131 0.000 1.375 212 D HN -0.177 nan 8.370 nan 0.000 0.453 213 T N -2.387 112.215 114.554 0.081 0.000 2.849 213 T HA -0.211 4.138 4.350 -0.001 0.000 0.270 213 T C 1.704 176.421 174.700 0.029 0.000 1.066 213 T CA 1.878 63.990 62.100 0.021 0.000 1.130 213 T CB -0.869 67.983 68.868 -0.027 0.000 0.864 213 T HN 0.541 nan 8.240 nan 0.000 0.481 214 S N 0.220 115.950 115.700 0.051 0.000 2.474 214 S HA -0.055 4.414 4.470 -0.001 0.000 0.235 214 S C 1.482 176.030 174.600 -0.086 0.000 0.997 214 S CA 0.234 58.401 58.200 -0.055 0.000 0.949 214 S CB -0.888 62.232 63.200 -0.133 0.000 0.766 214 S HN 0.670 nan 8.310 nan 0.000 0.517 215 Y N 1.484 121.798 120.300 0.023 0.000 2.466 215 Y HA 0.332 4.882 4.550 -0.001 0.000 0.272 215 Y C 2.046 178.015 175.900 0.114 0.000 1.169 215 Y CA 0.018 58.178 58.100 0.100 0.000 1.285 215 Y CB -0.056 38.509 38.460 0.174 0.000 1.078 215 Y HN 0.393 nan 8.280 nan 0.000 0.523 216 Q N -0.558 119.273 119.800 0.052 0.000 2.204 216 Q HA 0.263 4.602 4.340 -0.001 0.000 0.209 216 Q C 1.907 177.731 176.000 -0.293 0.000 0.861 216 Q CA 0.201 55.856 55.803 -0.248 0.000 0.971 216 Q CB 0.501 29.026 28.738 -0.355 0.000 1.095 216 Q HN 0.436 nan 8.270 nan 0.000 0.486 217 A N 0.716 123.409 122.820 -0.211 0.000 1.902 217 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 217 A C 2.132 179.345 177.584 -0.620 0.000 1.181 217 A CA 1.793 53.678 52.037 -0.255 0.000 0.623 217 A CB -0.904 18.072 19.000 -0.041 0.000 0.818 217 A HN 0.504 nan 8.150 nan 0.000 0.443 218 G N -0.737 107.465 108.800 -0.996 0.000 2.408 218 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.217 218 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.217 218 G C 1.481 175.926 174.900 -0.759 0.000 1.150 218 G CA 1.157 45.322 45.100 -1.559 0.000 0.776 218 G HN 0.317 nan 8.290 nan 0.000 0.542 219 V N 0.728 120.285 119.914 -0.594 0.000 2.343 219 V HA -0.164 3.955 4.120 -0.001 0.000 0.247 219 V C 2.913 178.892 176.094 -0.192 0.000 1.051 219 V CA 1.963 64.104 62.300 -0.265 0.000 1.036 219 V CB -0.437 31.084 31.823 -0.505 0.000 0.654 219 V HN 0.330 nan 8.190 nan 0.000 0.451 220 R N 0.021 120.361 120.500 -0.267 0.000 2.115 220 R HA -0.133 4.207 4.340 -0.001 0.000 0.226 220 R C 2.331 178.574 176.300 -0.095 0.000 1.100 220 R CA 1.128 57.123 56.100 -0.175 0.000 0.980 220 R CB -0.257 29.937 30.300 -0.175 0.000 0.875 220 R HN 0.290 nan 8.270 nan 0.000 0.445 221 K N 0.441 120.736 120.400 -0.174 0.000 2.167 221 K HA -0.050 4.269 4.320 -0.001 0.000 0.203 221 K C 1.577 178.212 176.600 0.059 0.000 1.052 221 K CA 1.027 57.257 56.287 -0.096 0.000 0.956 221 K CB -0.235 32.136 32.500 -0.215 0.000 0.735 221 K HN -0.079 nan 8.250 nan 0.000 0.451 222 F N 1.260 121.173 119.950 -0.062 0.000 2.065 222 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 222 F C -0.847 175.155 175.800 0.337 0.000 1.112 222 F CA 1.015 58.954 58.000 -0.102 0.000 1.212 222 F CB -1.581 37.310 39.000 -0.182 0.000 0.975 222 F HN 0.125 nan 8.300 nan 0.000 0.476 223 P HA -0.158 nan 4.420 nan 0.000 0.217 223 P C 1.329 179.001 177.300 0.620 0.000 1.150 223 P CA 1.935 65.455 63.100 0.700 0.000 0.832 223 P CB -0.111 31.834 31.700 0.407 0.000 0.787 224 K N -0.999 119.640 120.400 0.399 0.000 2.211 224 K HA 0.001 4.321 4.320 -0.001 0.000 0.203 224 K C 1.976 178.780 176.600 0.341 0.000 1.050 224 K CA 1.167 57.640 56.287 0.310 0.000 0.945 224 K CB -0.372 32.240 32.500 0.188 0.000 0.732 224 K HN 0.214 nan 8.250 nan 0.000 0.451 225 M N 0.191 120.058 119.600 0.446 0.000 2.419 225 M HA -0.070 4.410 4.480 -0.001 0.000 0.264 225 M C 1.837 178.472 176.300 0.558 0.000 1.082 225 M CA 0.809 56.414 55.300 0.509 0.000 1.119 225 M CB 0.214 33.161 32.600 0.579 0.000 1.398 225 M HN -0.079 nan 8.290 nan 0.000 0.453 226 V N 0.027 120.293 119.914 0.588 0.000 2.591 226 V HA -0.100 4.019 4.120 -0.001 0.000 0.249 226 V C 2.459 178.552 176.094 -0.000 0.000 1.053 226 V CA 1.775 64.212 62.300 0.229 0.000 1.068 226 V CB -0.760 31.169 31.823 0.178 0.000 0.689 226 V HN 0.462 nan 8.190 nan 0.000 0.462 227 A N -0.728 122.187 122.820 0.159 0.000 1.943 227 A HA 0.056 4.375 4.320 -0.001 0.000 0.213 227 A C 1.225 178.852 177.584 0.072 0.000 1.181 227 A CA 0.413 52.507 52.037 0.094 0.000 0.653 227 A CB -0.000 19.148 19.000 0.247 0.000 0.833 227 A HN 0.586 nan 8.150 nan 0.000 0.451 228 Q N 0.545 120.420 119.800 0.125 0.000 2.454 228 Q HA 0.417 4.756 4.340 -0.001 0.000 0.255 228 Q C -1.264 174.802 176.000 0.111 0.000 1.034 228 Q CA -0.191 55.671 55.803 0.097 0.000 0.736 228 Q CB 1.565 30.368 28.738 0.109 0.000 1.210 228 Q HN 0.382 nan 8.270 nan 0.000 0.500 229 R N 1.957 122.490 120.500 0.056 0.000 2.229 229 R HA 0.164 4.503 4.340 -0.001 0.000 0.328 229 R C -0.318 175.998 176.300 0.026 0.000 1.009 229 R CA -0.746 55.378 56.100 0.040 0.000 0.864 229 R CB 0.544 30.819 30.300 -0.042 0.000 1.085 229 R HN 0.586 nan 8.270 nan 0.000 0.453 230 D N 1.646 122.078 120.400 0.053 0.000 2.384 230 D HA -0.092 4.548 4.640 -0.001 0.000 0.244 230 D C 0.849 177.155 176.300 0.009 0.000 1.251 230 D CA -0.452 53.577 54.000 0.048 0.000 0.961 230 D CB 0.689 41.542 40.800 0.089 0.000 1.116 230 D HN 0.268 nan 8.370 nan 0.000 0.484 231 Q N 0.263 120.075 119.800 0.020 0.000 2.124 231 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 231 Q C 1.976 177.978 176.000 0.004 0.000 0.977 231 Q CA 2.362 58.170 55.803 0.008 0.000 0.850 231 Q CB -0.758 27.992 28.738 0.020 0.000 0.901 231 Q HN 0.626 nan 8.270 nan 0.000 0.429 232 A N -0.423 122.419 122.820 0.036 0.000 1.877 232 A HA -0.226 4.093 4.320 -0.001 0.000 0.216 232 A C 2.498 180.073 177.584 -0.016 0.000 1.186 232 A CA 1.584 53.659 52.037 0.063 0.000 0.620 232 A CB -1.505 17.581 19.000 0.144 0.000 0.822 232 A HN 0.653 nan 8.150 nan 0.000 0.443 233 C N -0.362 118.844 119.300 -0.157 0.000 2.413 233 C HA -0.095 4.364 4.460 -0.001 0.000 0.276 233 C C 2.556 177.285 174.990 -0.436 0.000 1.236 233 C CA 1.175 59.785 59.018 -0.681 0.000 1.735 233 C CB -1.449 25.879 27.740 -0.686 0.000 2.031 233 C HN 0.583 nan 8.230 nan 0.000 0.474 234 I N 1.071 121.512 120.570 -0.215 0.000 2.179 234 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 234 I C 2.271 178.343 176.117 -0.075 0.000 1.088 234 I CA 2.117 63.339 61.300 -0.130 0.000 1.357 234 I CB -0.628 37.327 38.000 -0.076 0.000 1.051 234 I HN 0.345 nan 8.210 nan 0.000 0.409 235 D N 0.980 121.355 120.400 -0.042 0.000 2.097 235 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 235 D C 2.229 178.541 176.300 0.020 0.000 0.989 235 D CA 1.421 55.421 54.000 0.000 0.000 0.827 235 D CB -0.279 40.533 40.800 0.020 0.000 0.966 235 D HN 0.319 nan 8.370 nan 0.000 0.456 236 I N 0.680 121.266 120.570 0.027 0.000 2.179 236 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 236 I C 2.288 178.459 176.117 0.089 0.000 1.088 236 I CA 0.903 62.260 61.300 0.094 0.000 1.357 236 I CB -0.150 37.988 38.000 0.229 0.000 1.051 236 I HN -0.099 nan 8.210 nan 0.000 0.409 237 S N 0.032 115.740 115.700 0.015 0.000 2.382 237 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 237 S C 2.036 176.684 174.600 0.079 0.000 1.027 237 S CA 1.856 60.084 58.200 0.046 0.000 0.991 237 S CB -0.387 62.775 63.200 -0.064 0.000 0.823 237 S HN 0.465 nan 8.310 nan 0.000 0.469 238 T N 1.652 116.234 114.554 0.047 0.000 2.777 238 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 238 T C 1.793 176.545 174.700 0.085 0.000 1.040 238 T CA 1.215 63.352 62.100 0.061 0.000 1.141 238 T CB -0.247 68.640 68.868 0.031 0.000 0.868 238 T HN 0.515 nan 8.240 nan 0.000 0.444 239 E N 0.819 121.066 120.200 0.078 0.000 2.153 239 E HA -0.105 4.244 4.350 -0.001 0.000 0.194 239 E C 2.358 179.028 176.600 0.117 0.000 0.988 239 E CA 0.888 57.339 56.400 0.084 0.000 0.811 239 E CB -0.163 29.577 29.700 0.067 0.000 0.746 239 E HN 0.475 nan 8.360 nan 0.000 0.466 240 A N 1.067 123.967 122.820 0.134 0.000 1.933 240 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 240 A C 2.100 179.879 177.584 0.325 0.000 1.175 240 A CA 1.079 53.226 52.037 0.183 0.000 0.628 240 A CB -0.534 18.603 19.000 0.228 0.000 0.814 240 A HN 0.309 nan 8.150 nan 0.000 0.444 241 I N -0.838 119.901 120.570 0.282 0.000 2.163 241 I HA -0.236 3.933 4.170 -0.001 0.000 0.243 241 I C 2.805 179.066 176.117 0.240 0.000 1.085 241 I CA 1.616 63.093 61.300 0.294 0.000 1.347 241 I CB -0.382 37.737 38.000 0.198 0.000 1.044 241 I HN 0.400 nan 8.210 nan 0.000 0.408 242 S N 0.502 116.301 115.700 0.166 0.000 2.400 242 S HA -0.233 4.236 4.470 -0.001 0.000 0.232 242 S C 1.991 176.649 174.600 0.097 0.000 1.025 242 S CA 1.362 59.631 58.200 0.115 0.000 0.993 242 S CB -0.450 62.803 63.200 0.089 0.000 0.808 242 S HN 0.440 nan 8.310 nan 0.000 0.478 243 F N 0.593 120.522 119.950 -0.035 0.000 2.060 243 F HA -0.026 4.500 4.527 -0.001 0.000 0.295 243 F C 1.655 177.368 175.800 -0.146 0.000 1.120 243 F CA 1.733 59.632 58.000 -0.169 0.000 1.205 243 F CB -0.741 38.029 39.000 -0.383 0.000 0.986 243 F HN 0.295 nan 8.300 nan 0.000 0.470 244 W N 0.700 122.046 121.300 0.077 0.000 2.392 244 W HA -0.129 4.530 4.660 -0.001 0.000 0.279 244 W C 2.648 179.170 176.519 0.005 0.000 1.225 244 W CA 1.298 58.634 57.345 -0.015 0.000 1.233 244 W CB -0.534 28.942 29.460 0.026 0.000 1.122 244 W HN 0.184 nan 8.180 nan 0.000 0.561 245 Q N 0.026 119.943 119.800 0.196 0.000 2.123 245 Q HA -0.105 4.234 4.340 -0.001 0.000 0.196 245 Q C 1.630 177.661 176.000 0.053 0.000 0.958 245 Q CA 1.204 57.087 55.803 0.133 0.000 0.841 245 Q CB -0.017 28.792 28.738 0.118 0.000 0.915 245 Q HN 0.223 nan 8.270 nan 0.000 0.455 246 N N -0.333 118.360 118.700 -0.012 0.000 2.348 246 N HA 0.004 4.743 4.740 -0.001 0.000 0.183 246 N C 0.301 175.741 175.510 -0.116 0.000 1.094 246 N CA 0.554 53.578 53.050 -0.043 0.000 0.885 246 N CB 0.552 39.027 38.487 -0.021 0.000 1.065 246 N HN 0.207 nan 8.380 nan 0.000 0.472 247 D N -0.487 119.753 120.400 -0.267 0.000 2.379 247 D HA -0.025 4.614 4.640 -0.001 0.000 0.218 247 D C 0.455 176.498 176.300 -0.429 0.000 1.006 247 D CA -0.120 53.659 54.000 -0.369 0.000 0.893 247 D CB 0.311 40.831 40.800 -0.467 0.000 1.019 247 D HN 0.218 nan 8.370 nan 0.000 0.503 248 W N 2.415 123.236 121.300 -0.798 0.000 2.251 248 W HA 0.056 4.715 4.660 -0.001 0.000 0.327 248 W C 0.043 176.457 176.519 -0.174 0.000 1.361 248 W CA 0.335 57.372 57.345 -0.514 0.000 1.234 248 W CB 0.485 29.740 29.460 -0.341 0.000 1.212 248 W HN -0.126 nan 8.180 nan 0.000 0.557 249 N N 3.936 122.139 118.700 -0.829 0.000 2.217 249 N HA 0.078 4.817 4.740 -0.001 0.000 0.239 249 N C 0.261 175.244 175.510 -0.879 0.000 1.330 249 N CA -0.135 52.518 53.050 -0.662 0.000 0.838 249 N CB 1.159 39.434 38.487 -0.353 0.000 1.287 249 N HN 0.429 nan 8.380 nan 0.000 0.498 250 G N 0.327 108.061 108.800 -1.777 0.000 2.522 250 G HA2 0.338 4.298 3.960 -0.001 0.000 0.304 250 G HA3 0.338 4.298 3.960 -0.001 0.000 0.304 250 G C -0.064 174.601 174.900 -0.392 0.000 1.210 250 G CA -0.212 44.194 45.100 -1.158 0.000 0.960 250 G HN 0.057 nan 8.290 nan 0.000 0.497 251 Q N -0.464 119.282 119.800 -0.091 0.000 2.364 251 Q HA 0.394 4.733 4.340 -0.001 0.000 0.267 251 Q C -0.339 175.967 176.000 0.509 0.000 0.999 251 Q CA 0.530 56.427 55.803 0.156 0.000 0.886 251 Q CB 0.854 29.556 28.738 -0.060 0.000 1.243 251 Q HN 0.392 nan 8.270 nan 0.000 0.415 252 T N 1.914 116.879 114.554 0.685 0.000 2.909 252 T HA 0.623 4.972 4.350 -0.001 0.000 0.299 252 T C -1.547 173.555 174.700 0.669 0.000 1.073 252 T CA -0.589 61.923 62.100 0.687 0.000 0.999 252 T CB 0.894 70.079 68.868 0.528 0.000 1.098 252 T HN 0.439 nan 8.240 nan 0.000 0.477 253 F N 2.731 122.864 119.950 0.306 0.000 2.574 253 F HA 0.728 5.254 4.527 -0.001 0.000 0.313 253 F C -1.152 174.630 175.800 -0.030 0.000 1.130 253 F CA -0.954 57.053 58.000 0.012 0.000 0.936 253 F CB 1.702 40.613 39.000 -0.149 0.000 1.219 253 F HN 0.551 nan 8.300 nan 0.000 0.445 254 M N 5.683 124.841 119.600 -0.736 0.000 2.465 254 M HA 0.862 5.341 4.480 -0.001 0.000 0.316 254 M C -1.862 174.025 176.300 -0.689 0.000 1.121 254 M CA -0.510 54.475 55.300 -0.524 0.000 0.934 254 M CB 1.884 34.249 32.600 -0.392 0.000 1.692 254 M HN 0.795 nan 8.290 nan 0.000 0.444 255 A N 5.687 128.297 122.820 -0.350 0.000 2.398 255 A HA 0.767 5.086 4.320 -0.001 0.000 0.301 255 A C -1.475 175.992 177.584 -0.196 0.000 1.041 255 A CA -0.673 51.222 52.037 -0.236 0.000 0.711 255 A CB 1.084 20.074 19.000 -0.016 0.000 1.240 255 A HN 0.877 nan 8.150 nan 0.000 0.420 256 I N 2.101 122.549 120.570 -0.202 0.000 2.378 256 I HA 0.455 4.625 4.170 -0.001 0.000 0.291 256 I C 0.867 176.891 176.117 -0.155 0.000 0.992 256 I CA -0.686 60.498 61.300 -0.194 0.000 1.154 256 I CB 2.202 40.067 38.000 -0.225 0.000 1.315 256 I HN 0.749 nan 8.210 nan 0.000 0.448 257 G N 6.608 115.317 108.800 -0.152 0.000 2.444 257 G HA2 0.208 4.168 3.960 -0.001 0.000 0.303 257 G HA3 0.208 4.168 3.960 -0.001 0.000 0.303 257 G C 0.954 175.779 174.900 -0.125 0.000 1.032 257 G CA -0.484 44.525 45.100 -0.152 0.000 1.137 257 G HN 0.523 nan 8.290 nan 0.000 0.430 258 M N 1.691 121.219 119.600 -0.121 0.000 2.346 258 M HA -0.036 4.443 4.480 -0.001 0.000 0.263 258 M C 1.860 178.128 176.300 -0.054 0.000 1.064 258 M CA 1.227 56.480 55.300 -0.077 0.000 1.083 258 M CB -0.516 32.044 32.600 -0.068 0.000 1.399 258 M HN 0.463 nan 8.290 nan 0.000 0.435 259 K N -0.030 120.333 120.400 -0.061 0.000 2.417 259 K HA 0.032 4.351 4.320 -0.001 0.000 0.196 259 K C 0.033 176.641 176.600 0.014 0.000 1.023 259 K CA -0.181 56.092 56.287 -0.023 0.000 1.122 259 K CB 0.128 32.612 32.500 -0.027 0.000 0.850 259 K HN 0.106 nan 8.250 nan 0.000 0.521 260 D N 1.694 122.095 120.400 0.001 0.000 2.343 260 D HA 0.032 4.671 4.640 -0.001 0.000 0.255 260 D C 0.358 176.672 176.300 0.024 0.000 1.187 260 D CA 0.270 54.286 54.000 0.027 0.000 0.875 260 D CB 1.033 41.821 40.800 -0.019 0.000 1.136 260 D HN -0.093 nan 8.370 nan 0.000 0.469 261 K N 2.747 123.194 120.400 0.079 0.000 2.426 261 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 261 K C 0.929 177.559 176.600 0.049 0.000 1.028 261 K CA 0.166 56.509 56.287 0.093 0.000 1.047 261 K CB 0.511 33.121 32.500 0.182 0.000 0.821 261 K HN 0.331 nan 8.250 nan 0.000 0.513 262 L N -0.391 120.783 121.223 -0.082 0.000 2.296 262 L HA 0.095 4.435 4.340 -0.001 0.000 0.193 262 L C 1.059 177.655 176.870 -0.457 0.000 1.123 262 L CA 1.070 55.755 54.840 -0.257 0.000 0.805 262 L CB -0.012 41.719 42.059 -0.548 0.000 1.004 262 L HN -0.020 nan 8.230 nan 0.000 0.478 263 L N -0.077 120.916 121.223 -0.382 0.000 3.100 263 L HA 0.412 4.751 4.340 -0.001 0.000 0.259 263 L C 0.734 177.466 176.870 -0.229 0.000 1.316 263 L CA -0.506 54.095 54.840 -0.397 0.000 0.992 263 L CB -0.366 41.450 42.059 -0.405 0.000 1.390 263 L HN 0.203 nan 8.230 nan 0.000 0.550 264 G N 0.597 109.309 108.800 -0.148 0.000 2.546 264 G HA2 0.172 4.132 3.960 -0.001 0.000 0.239 264 G HA3 0.172 4.132 3.960 -0.001 0.000 0.239 264 G C -1.622 173.239 174.900 -0.064 0.000 1.476 264 G CA -0.533 44.509 45.100 -0.095 0.000 1.064 264 G HN 0.087 nan 8.290 nan 0.000 0.561 265 P HA -0.110 nan 4.420 nan 0.000 0.217 265 P C 1.099 178.509 177.300 0.184 0.000 1.151 265 P CA 1.499 64.682 63.100 0.139 0.000 0.849 265 P CB 0.088 31.929 31.700 0.235 0.000 0.787 266 D N -1.415 119.049 120.400 0.106 0.000 2.158 266 D HA -0.115 4.524 4.640 -0.001 0.000 0.197 266 D C 1.807 178.186 176.300 0.131 0.000 0.995 266 D CA 1.088 55.152 54.000 0.106 0.000 0.846 266 D CB -0.477 40.374 40.800 0.086 0.000 0.941 266 D HN 0.066 nan 8.370 nan 0.000 0.456 267 V N -0.037 119.932 119.914 0.090 0.000 2.672 267 V HA -0.039 4.080 4.120 -0.001 0.000 0.242 267 V C 2.209 178.357 176.094 0.089 0.000 1.059 267 V CA 0.517 62.900 62.300 0.138 0.000 1.081 267 V CB -0.052 31.732 31.823 -0.066 0.000 0.752 267 V HN 0.122 nan 8.190 nan 0.000 0.472 268 M N -0.808 118.758 119.600 -0.057 0.000 2.159 268 M HA -0.131 4.348 4.480 -0.001 0.000 0.263 268 M C 2.240 178.426 176.300 -0.191 0.000 1.063 268 M CA 1.887 57.080 55.300 -0.179 0.000 1.110 268 M CB -1.047 31.374 32.600 -0.299 0.000 1.374 268 M HN 0.375 nan 8.290 nan 0.000 0.411 269 Y N -0.056 120.236 120.300 -0.014 0.000 2.163 269 Y HA -0.104 4.446 4.550 -0.001 0.000 0.288 269 Y C -0.248 175.662 175.900 0.016 0.000 1.136 269 Y CA 1.593 59.685 58.100 -0.013 0.000 1.147 269 Y CB -2.167 36.282 38.460 -0.018 0.000 0.987 269 Y HN 0.222 nan 8.280 nan 0.000 0.509 270 P HA -0.187 nan 4.420 nan 0.000 0.217 270 P C 1.686 179.088 177.300 0.171 0.000 1.150 270 P CA 1.480 64.658 63.100 0.131 0.000 0.832 270 P CB -0.028 31.719 31.700 0.079 0.000 0.787 271 M N -0.127 119.601 119.600 0.214 0.000 2.159 271 M HA -0.141 4.339 4.480 -0.001 0.000 0.263 271 M C 1.985 178.284 176.300 -0.001 0.000 1.063 271 M CA 1.745 57.119 55.300 0.123 0.000 1.110 271 M CB -0.900 31.664 32.600 -0.060 0.000 1.374 271 M HN -0.273 nan 8.290 nan 0.000 0.411 272 K N -0.553 119.828 120.400 -0.031 0.000 2.063 272 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 272 K C 1.754 178.370 176.600 0.027 0.000 1.048 272 K CA 1.620 57.881 56.287 -0.043 0.000 0.928 272 K CB -0.243 32.217 32.500 -0.067 0.000 0.713 272 K HN 0.357 nan 8.250 nan 0.000 0.442 273 A N 1.144 124.001 122.820 0.062 0.000 1.969 273 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 273 A C 2.041 179.671 177.584 0.077 0.000 1.169 273 A CA 1.001 53.079 52.037 0.069 0.000 0.635 273 A CB -0.388 18.651 19.000 0.064 0.000 0.810 273 A HN 0.334 nan 8.150 nan 0.000 0.445 274 L N -0.484 120.791 121.223 0.086 0.000 2.313 274 L HA 0.107 4.447 4.340 -0.001 0.000 0.214 274 L C 0.163 177.126 176.870 0.155 0.000 1.119 274 L CA 0.245 55.156 54.840 0.118 0.000 0.809 274 L CB -0.258 41.888 42.059 0.145 0.000 0.933 274 L HN 0.263 nan 8.230 nan 0.000 0.449 275 I N 1.008 121.644 120.570 0.111 0.000 2.291 275 I HA 0.037 4.207 4.170 -0.001 0.000 0.292 275 I C 0.185 176.448 176.117 0.244 0.000 1.064 275 I CA -0.504 60.896 61.300 0.167 0.000 1.269 275 I CB 0.504 38.485 38.000 -0.032 0.000 1.418 275 I HN 0.053 nan 8.210 nan 0.000 0.485 276 N N 5.191 124.088 118.700 0.329 0.000 2.411 276 N HA 0.063 4.803 4.740 -0.001 0.000 0.265 276 N C 1.071 176.763 175.510 0.302 0.000 1.266 276 N CA 1.595 54.803 53.050 0.264 0.000 0.889 276 N CB 0.524 39.137 38.487 0.209 0.000 1.069 276 N HN 0.853 nan 8.380 nan 0.000 0.476 277 G N 2.296 111.210 108.800 0.190 0.000 2.162 277 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.260 277 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.260 277 G C 0.439 175.466 174.900 0.213 0.000 0.976 277 G CA 0.206 45.414 45.100 0.179 0.000 0.655 277 G HN 0.845 nan 8.290 nan 0.000 0.533 278 C N 3.345 122.758 119.300 0.189 0.000 2.629 278 C HA 0.581 5.040 4.460 -0.001 0.000 0.410 278 C C -0.279 174.754 174.990 0.072 0.000 1.339 278 C CA -1.096 57.999 59.018 0.129 0.000 1.810 278 C CB 0.107 27.873 27.740 0.044 0.000 2.549 278 C HN 0.526 nan 8.230 nan 0.000 0.589 279 P HA 0.161 nan 4.420 nan 0.000 0.279 279 P C -0.783 176.467 177.300 -0.082 0.000 1.282 279 P CA -0.259 62.843 63.100 0.003 0.000 0.788 279 P CB 0.341 32.033 31.700 -0.014 0.000 1.139 280 E N 1.545 121.708 120.200 -0.062 0.000 2.480 280 E HA 0.047 4.396 4.350 -0.001 0.000 0.258 280 E C -1.668 174.815 176.600 -0.195 0.000 0.984 280 E CA -1.376 54.982 56.400 -0.069 0.000 0.930 280 E CB -0.133 29.556 29.700 -0.018 0.000 0.936 280 E HN 0.230 nan 8.360 nan 0.000 0.466 281 P HA -0.010 nan 4.420 nan 0.000 0.271 281 P C -0.619 176.502 177.300 -0.298 0.000 1.218 281 P CA -0.322 62.560 63.100 -0.364 0.000 0.780 281 P CB 0.594 32.047 31.700 -0.411 0.000 0.901 282 L N 2.400 123.394 121.223 -0.381 0.000 2.278 282 L HA 0.241 4.581 4.340 -0.001 0.000 0.287 282 L C 0.069 176.846 176.870 -0.155 0.000 1.072 282 L CA 0.127 54.843 54.840 -0.206 0.000 0.819 282 L CB -0.078 41.901 42.059 -0.133 0.000 1.176 282 L HN 0.266 nan 8.230 nan 0.000 0.435 283 E N 6.520 126.661 120.200 -0.099 0.000 2.130 283 E HA 0.308 4.657 4.350 -0.001 0.000 0.284 283 E C -0.733 175.821 176.600 -0.075 0.000 1.018 283 E CA -0.151 56.197 56.400 -0.087 0.000 0.817 283 E CB 1.271 30.943 29.700 -0.047 0.000 1.078 283 E HN 0.586 nan 8.360 nan 0.000 0.396 284 I N 3.359 123.866 120.570 -0.105 0.000 2.307 284 I HA 0.115 4.285 4.170 -0.001 0.000 0.287 284 I C 1.290 177.296 176.117 -0.184 0.000 1.054 284 I CA -0.276 60.942 61.300 -0.137 0.000 1.218 284 I CB 1.124 39.023 38.000 -0.168 0.000 1.398 284 I HN 0.666 nan 8.210 nan 0.000 0.475 285 A N 4.891 127.630 122.820 -0.136 0.000 1.892 285 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 285 A C 1.668 179.149 177.584 -0.172 0.000 1.188 285 A CA 1.877 53.843 52.037 -0.118 0.000 0.631 285 A CB -0.262 18.699 19.000 -0.066 0.000 0.822 285 A HN 0.698 nan 8.150 nan 0.000 0.447 286 D N -0.270 119.970 120.400 -0.266 0.000 2.347 286 D HA 0.279 4.918 4.640 -0.001 0.000 0.213 286 D C 0.828 176.754 176.300 -0.624 0.000 0.985 286 D CA 0.833 54.641 54.000 -0.319 0.000 0.879 286 D CB -0.282 40.423 40.800 -0.159 0.000 0.919 286 D HN 0.448 nan 8.370 nan 0.000 0.526 287 A N 0.620 122.929 122.820 -0.853 0.000 2.388 287 A HA 0.562 4.881 4.320 -0.001 0.000 0.257 287 A C 0.996 178.436 177.584 -0.241 0.000 1.095 287 A CA 0.065 51.642 52.037 -0.767 0.000 0.791 287 A CB 0.755 19.378 19.000 -0.628 0.000 1.029 287 A HN 0.161 nan 8.150 nan 0.000 0.489 288 G N -0.505 108.273 108.800 -0.037 0.000 2.945 288 G HA2 0.319 4.278 3.960 -0.001 0.000 0.156 288 G HA3 0.319 4.278 3.960 -0.001 0.000 0.156 288 G C 0.827 175.750 174.900 0.039 0.000 1.375 288 G CA 0.566 45.700 45.100 0.057 0.000 1.039 288 G HN 0.926 nan 8.290 nan 0.000 0.586 289 H N -0.611 118.421 119.070 -0.064 0.000 2.353 289 H HA 0.053 4.609 4.556 -0.001 0.000 0.300 289 H C 0.539 175.656 175.328 -0.350 0.000 1.090 289 H CA 0.935 56.794 56.048 -0.316 0.000 1.327 289 H CB -0.252 29.177 29.762 -0.554 0.000 1.383 289 H HN 0.127 nan 8.280 nan 0.000 0.508 290 F N 0.902 120.908 119.950 0.094 0.000 2.605 290 F HA 0.153 4.679 4.527 -0.000 0.000 0.352 290 F C 1.145 176.980 175.800 0.057 0.000 1.236 290 F CA -0.363 57.655 58.000 0.031 0.000 1.267 290 F CB 0.183 39.268 39.000 0.143 0.000 1.632 290 F HN -0.044 nan 8.300 nan 0.000 0.639 291 V N 0.936 120.888 119.914 0.064 0.000 2.469 291 V HA -0.307 3.812 4.120 -0.001 0.000 0.251 291 V C 1.980 178.173 176.094 0.164 0.000 1.064 291 V CA 1.703 64.053 62.300 0.084 0.000 1.066 291 V CB -0.663 31.146 31.823 -0.022 0.000 0.667 291 V HN 0.557 nan 8.190 nan 0.000 0.461 292 Q N -0.140 119.717 119.800 0.096 0.000 2.364 292 Q HA -0.159 4.181 4.340 -0.001 0.000 0.209 292 Q C 2.088 178.128 176.000 0.066 0.000 0.977 292 Q CA 1.012 56.834 55.803 0.032 0.000 0.885 292 Q CB -0.268 28.363 28.738 -0.180 0.000 0.941 292 Q HN 0.558 nan 8.270 nan 0.000 0.464 293 E N -0.724 119.573 120.200 0.161 0.000 2.418 293 E HA -0.069 4.280 4.350 -0.001 0.000 0.197 293 E C -0.044 176.499 176.600 -0.095 0.000 1.026 293 E CA 0.660 57.102 56.400 0.070 0.000 0.862 293 E CB 0.183 29.969 29.700 0.143 0.000 0.799 293 E HN 0.385 nan 8.360 nan 0.000 0.518 294 F N -0.735 119.229 119.950 0.023 0.000 2.850 294 F HA 0.311 4.838 4.527 -0.000 0.000 0.329 294 F C 1.728 177.526 175.800 -0.004 0.000 1.182 294 F CA -0.351 57.656 58.000 0.012 0.000 1.270 294 F CB 0.753 39.766 39.000 0.022 0.000 0.979 294 F HN -0.088 nan 8.300 nan 0.000 0.506 295 G N -0.364 108.493 108.800 0.094 0.000 2.484 295 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.218 295 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.218 295 G C 1.541 176.414 174.900 -0.044 0.000 1.130 295 G CA 0.493 45.613 45.100 0.034 0.000 0.784 295 G HN 0.435 nan 8.290 nan 0.000 0.543 296 E N 0.000 120.164 120.200 -0.061 0.000 2.077 296 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 296 E C 2.307 178.865 176.600 -0.069 0.000 0.989 296 E CA 1.186 57.525 56.400 -0.102 0.000 0.800 296 E CB -0.145 29.504 29.700 -0.085 0.000 0.746 296 E HN 0.625 nan 8.360 nan 0.000 0.452 297 Q N 0.158 119.957 119.800 -0.000 0.000 2.046 297 Q HA -0.148 4.191 4.340 -0.001 0.000 0.200 297 Q C 2.243 178.257 176.000 0.022 0.000 0.975 297 Q CA 1.765 57.583 55.803 0.026 0.000 0.836 297 Q CB 0.119 28.907 28.738 0.083 0.000 0.896 297 Q HN 0.229 nan 8.270 nan 0.000 0.428 298 V N 1.297 121.246 119.914 0.058 0.000 2.287 298 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 298 V C 2.456 178.539 176.094 -0.017 0.000 1.053 298 V CA 1.922 64.285 62.300 0.105 0.000 1.027 298 V CB -1.282 30.637 31.823 0.160 0.000 0.646 298 V HN 0.536 nan 8.190 nan 0.000 0.447 299 A N 0.092 122.858 122.820 -0.090 0.000 1.865 299 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 299 A C 2.386 179.886 177.584 -0.140 0.000 1.191 299 A CA 2.108 54.022 52.037 -0.206 0.000 0.623 299 A CB -0.550 18.064 19.000 -0.644 0.000 0.826 299 A HN 0.523 nan 8.150 nan 0.000 0.444 300 R N -0.649 119.763 120.500 -0.146 0.000 2.070 300 R HA -0.116 4.223 4.340 -0.001 0.000 0.233 300 R C 2.066 178.281 176.300 -0.142 0.000 1.137 300 R CA 1.401 57.435 56.100 -0.109 0.000 0.945 300 R CB -0.413 29.841 30.300 -0.077 0.000 0.845 300 R HN 0.490 nan 8.270 nan 0.000 0.430 301 E N 0.680 120.774 120.200 -0.177 0.000 2.153 301 E HA -0.129 4.220 4.350 -0.001 0.000 0.194 301 E C 1.962 178.161 176.600 -0.668 0.000 0.988 301 E CA 1.218 57.469 56.400 -0.248 0.000 0.811 301 E CB -0.205 29.460 29.700 -0.059 0.000 0.746 301 E HN 0.348 nan 8.360 nan 0.000 0.466 302 A N 1.186 123.407 122.820 -0.998 0.000 1.902 302 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 302 A C 2.389 179.464 177.584 -0.848 0.000 1.181 302 A CA 1.022 52.190 52.037 -1.448 0.000 0.623 302 A CB -0.694 17.779 19.000 -0.878 0.000 0.818 302 A HN 0.183 nan 8.150 nan 0.000 0.443 303 L N -0.767 120.280 121.223 -0.292 0.000 2.046 303 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 303 L C 2.588 179.450 176.870 -0.013 0.000 1.077 303 L CA 1.704 56.546 54.840 0.002 0.000 0.747 303 L CB -0.422 41.688 42.059 0.085 0.000 0.896 303 L HN 0.360 nan 8.230 nan 0.000 0.432 304 K N -1.008 119.344 120.400 -0.080 0.000 2.097 304 K HA -0.231 4.089 4.320 -0.001 0.000 0.206 304 K C 2.130 178.737 176.600 0.012 0.000 1.049 304 K CA 1.477 57.752 56.287 -0.019 0.000 0.933 304 K CB -0.246 32.243 32.500 -0.019 0.000 0.717 304 K HN 0.275 nan 8.250 nan 0.000 0.442 305 H N -0.144 118.835 119.070 -0.153 0.000 2.389 305 H HA -0.075 4.480 4.556 -0.001 0.000 0.299 305 H C 1.560 176.959 175.328 0.119 0.000 1.081 305 H CA 1.517 57.539 56.048 -0.045 0.000 1.345 305 H CB 0.051 29.762 29.762 -0.084 0.000 1.393 305 H HN 0.038 nan 8.280 nan 0.000 0.520 306 F N 0.412 120.349 119.950 -0.022 0.000 2.163 306 F HA 0.081 4.607 4.527 -0.001 0.000 0.297 306 F C 2.752 178.518 175.800 -0.058 0.000 1.094 306 F CA 0.930 58.904 58.000 -0.043 0.000 1.290 306 F CB -1.320 37.711 39.000 0.051 0.000 1.017 306 F HN 0.344 nan 8.300 nan 0.000 0.483 307 A N 0.436 123.356 122.820 0.166 0.000 1.933 307 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 307 A C 1.973 179.580 177.584 0.037 0.000 1.175 307 A CA 1.664 53.753 52.037 0.087 0.000 0.628 307 A CB -0.987 18.055 19.000 0.071 0.000 0.814 307 A HN 0.550 nan 8.150 nan 0.000 0.444 308 E N -0.064 120.143 120.200 0.012 0.000 2.494 308 E HA -0.035 4.315 4.350 -0.001 0.000 0.193 308 E C 0.393 176.971 176.600 -0.036 0.000 1.074 308 E CA 1.064 57.458 56.400 -0.009 0.000 0.867 308 E CB -0.416 29.285 29.700 0.000 0.000 0.924 308 E HN 0.518 nan 8.360 nan 0.000 0.502 309 T N -2.294 112.235 114.554 -0.043 0.000 3.516 309 T HA 0.277 4.626 4.350 -0.001 0.000 0.300 309 T C -0.139 174.543 174.700 -0.030 0.000 0.995 309 T CA -0.677 61.394 62.100 -0.048 0.000 0.982 309 T CB 0.257 69.068 68.868 -0.094 0.000 1.199 309 T HN 0.029 nan 8.240 nan 0.000 0.481 310 E N 0.000 120.188 120.200 -0.020 0.000 2.725 310 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 310 E CA 0.000 56.383 56.400 -0.029 0.000 0.976 310 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 310 E HN 0.000 nan 8.360 nan 0.000 0.440