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 2jh3_1_B DATA FIRST_RESID -1 DATA SEQUENCE GALRSLVLIG HGSHHHGESA RATQQVAEAL RGRGLAGHLP YDEVLEGYWQ DATA SEQUENCE QEPGLRQVLR TVAYSDVTVV PVFLSEGYVT ETVLPRELGL GHQGPVPTGG DATA SEQUENCE VVRVLGGRRV RYTRPLGAHP GMADAIAAQA RDTLPEGTDP ADVTLLLLAA DATA SEQUENCE RPGNAALETH AQALRERGQF AGVEVVLESR EXXXXXXXXX SAVPLSEWPS DATA SEQUENCE RVEAGQAVLV PFLTHLGKHA AERLQQALAQ AAERFPQAPP LHVGGPVGEH DATA SEQUENCE PAVAEVVLAL AAEGREDERG GDIDQAHAEA WAALRHLAER GGRLGEVLLT DATA SEQUENCE PYGGLFELRH TLDEGRATLD LQTVVTPEGL RDLTARDEAG RWRPIRTWRT DATA SEQUENCE LPRGWRAVLS PADLRLGLEL LYPAVIEESY AHEHRRLHWT PWMSTARRQT DATA SEQUENCE GTLARVQRAT PDQVDTVAAQ VCASCLRTRL WAGHTLGQTI FSGVPGGLPC DATA SEQUENCE AEACTVLLAA VRDEVGRE 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 4.003 3.960 0.072 0.000 0.244 -1 G C 0.000 174.851 174.900 -0.081 0.000 0.946 -1 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 0 A N 1.097 123.859 122.820 -0.097 0.000 2.269 0 A HA 0.813 5.177 4.320 0.072 0.000 0.302 0 A C -0.232 177.245 177.584 -0.179 0.000 1.266 0 A CA -0.097 51.875 52.037 -0.109 0.000 0.894 0 A CB 0.340 19.287 19.000 -0.089 0.000 1.147 0 A HN 0.397 nan 8.150 nan 0.000 0.537 1 L N 3.123 124.210 121.223 -0.227 0.000 2.329 1 L HA 0.657 5.041 4.340 0.072 0.000 0.279 1 L C 0.217 176.895 176.870 -0.320 0.000 1.014 1 L CA -0.425 54.139 54.840 -0.461 0.000 0.814 1 L CB 1.922 43.503 42.059 -0.797 0.000 1.257 1 L HN 0.786 nan 8.230 nan 0.000 0.424 2 R N 1.225 121.566 120.500 -0.265 0.000 2.807 2 R HA 0.644 5.027 4.340 0.072 0.000 0.276 2 R C -1.154 175.295 176.300 0.248 0.000 0.979 2 R CA -0.681 55.449 56.100 0.049 0.000 0.928 2 R CB 2.371 32.733 30.300 0.104 0.000 1.191 2 R HN 0.468 nan 8.270 nan 0.000 0.471 3 S N 1.695 117.578 115.700 0.305 0.000 2.454 3 S HA 0.421 4.934 4.470 0.072 0.000 0.306 3 S C -1.235 173.396 174.600 0.052 0.000 1.100 3 S CA -0.647 57.685 58.200 0.221 0.000 1.087 3 S CB 1.217 64.497 63.200 0.134 0.000 1.019 3 S HN 0.306 nan 8.310 nan 0.000 0.480 4 L N 4.764 125.914 121.223 -0.122 0.000 2.296 4 L HA 0.663 5.046 4.340 0.072 0.000 0.286 4 L C -1.142 175.618 176.870 -0.183 0.000 1.023 4 L CA -0.312 54.311 54.840 -0.362 0.000 0.812 4 L CB 1.265 42.926 42.059 -0.664 0.000 1.223 4 L HN 0.436 nan 8.230 nan 0.000 0.421 5 V N 6.492 126.313 119.914 -0.155 0.000 2.444 5 V HA 0.433 4.596 4.120 0.072 0.000 0.294 5 V C -0.111 175.915 176.094 -0.114 0.000 1.022 5 V CA -0.626 61.611 62.300 -0.106 0.000 0.850 5 V CB 1.549 33.334 31.823 -0.063 0.000 0.992 5 V HN 0.579 nan 8.190 nan 0.000 0.426 6 L N 5.642 126.795 121.223 -0.117 0.000 2.289 6 L HA 0.586 4.969 4.340 0.072 0.000 0.285 6 L C -0.660 176.123 176.870 -0.145 0.000 1.049 6 L CA -0.545 54.230 54.840 -0.109 0.000 0.804 6 L CB 1.406 43.407 42.059 -0.098 0.000 1.195 6 L HN 0.381 nan 8.230 nan 0.000 0.428 7 I N 2.399 122.928 120.570 -0.069 0.000 2.362 7 I HA 0.503 4.716 4.170 0.072 0.000 0.289 7 I C 0.571 176.732 176.117 0.073 0.000 0.994 7 I CA -0.066 61.213 61.300 -0.035 0.000 1.158 7 I CB 1.248 39.314 38.000 0.110 0.000 1.315 7 I HN 0.637 nan 8.210 nan 0.000 0.451 8 G N 3.293 112.051 108.800 -0.070 0.000 2.735 8 G HA2 0.325 4.328 3.960 0.072 0.000 0.301 8 G HA3 0.325 4.328 3.960 0.072 0.000 0.301 8 G C 0.406 175.488 174.900 0.303 0.000 1.279 8 G CA -0.217 44.914 45.100 0.052 0.000 1.019 8 G HN 0.696 nan 8.290 nan 0.000 0.497 9 H N -0.777 118.327 119.070 0.057 0.000 2.343 9 H HA 0.286 4.885 4.556 0.073 0.000 0.303 9 H C 1.795 177.315 175.328 0.321 0.000 1.068 9 H CA 1.966 58.198 56.048 0.308 0.000 1.359 9 H CB -0.272 29.574 29.762 0.140 0.000 1.402 9 H HN 1.126 nan 8.280 nan 0.000 0.515 10 G N -0.194 108.824 108.800 0.364 0.000 2.740 10 G HA2 -0.194 3.810 3.960 0.072 0.000 0.250 10 G HA3 -0.194 3.810 3.960 0.072 0.000 0.250 10 G C -0.424 174.546 174.900 0.117 0.000 1.358 10 G CA 0.217 45.392 45.100 0.124 0.000 0.897 10 G HN 0.763 nan 8.290 nan 0.000 0.567 11 S N -2.500 113.223 115.700 0.039 0.000 2.547 11 S HA 0.583 5.097 4.470 0.072 0.000 0.270 11 S C 0.504 175.152 174.600 0.081 0.000 1.150 11 S CA 0.240 58.423 58.200 -0.028 0.000 0.850 11 S CB 1.203 64.316 63.200 -0.145 0.000 1.118 11 S HN 0.845 nan 8.310 nan 0.000 0.461 12 H N 1.762 120.712 119.070 -0.201 0.000 2.502 12 H HA 0.228 4.828 4.556 0.073 0.000 0.283 12 H C 1.096 176.109 175.328 -0.526 0.000 1.015 12 H CA 1.391 57.196 56.048 -0.405 0.000 1.298 12 H CB 0.103 29.457 29.762 -0.680 0.000 1.411 12 H HN 0.543 nan 8.280 nan 0.000 0.556 13 H N -1.395 117.619 119.070 -0.093 0.000 3.400 13 H HA 0.177 4.776 4.556 0.072 0.000 0.251 13 H C -0.042 174.834 175.328 -0.754 0.000 1.040 13 H CA 0.051 55.867 56.048 -0.387 0.000 1.175 13 H CB 1.238 30.654 29.762 -0.577 0.000 1.487 13 H HN 0.278 nan 8.280 nan 0.000 0.505 14 H N -0.586 118.221 119.070 -0.437 0.000 2.600 14 H HA 0.272 4.872 4.556 0.073 0.000 0.357 14 H C 0.983 175.498 175.328 -1.355 0.000 1.106 14 H CA -0.157 55.495 56.048 -0.661 0.000 1.193 14 H CB 2.075 31.628 29.762 -0.349 0.000 1.594 14 H HN 0.242 nan 8.280 nan 0.000 0.526 15 G N 1.524 109.526 108.800 -1.330 0.000 2.623 15 G HA2 -0.126 3.878 3.960 0.072 0.000 0.214 15 G HA3 -0.126 3.878 3.960 0.072 0.000 0.214 15 G C 1.012 175.479 174.900 -0.722 0.000 1.138 15 G CA 0.145 44.268 45.100 -1.628 0.000 0.794 15 G HN 0.456 nan 8.290 nan 0.000 0.535 16 E N 1.322 121.207 120.200 -0.525 0.000 2.077 16 E HA -0.083 4.310 4.350 0.072 0.000 0.193 16 E C 2.530 178.758 176.600 -0.619 0.000 0.989 16 E CA 1.333 57.485 56.400 -0.412 0.000 0.800 16 E CB -0.193 29.338 29.700 -0.281 0.000 0.746 16 E HN 0.361 nan 8.360 nan 0.000 0.452 17 S N -0.105 115.096 115.700 -0.832 0.000 2.653 17 S HA 0.136 4.649 4.470 0.072 0.000 0.233 17 S C 1.372 175.754 174.600 -0.362 0.000 0.970 17 S CA 0.598 58.228 58.200 -0.950 0.000 0.947 17 S CB 0.245 63.128 63.200 -0.528 0.000 0.771 17 S HN 0.347 nan 8.310 nan 0.000 0.538 18 A N 0.502 123.151 122.820 -0.285 0.000 2.498 18 A HA 0.359 4.722 4.320 0.072 0.000 0.238 18 A C 1.814 179.384 177.584 -0.023 0.000 1.225 18 A CA -0.368 51.604 52.037 -0.109 0.000 0.978 18 A CB 0.125 18.927 19.000 -0.330 0.000 1.142 18 A HN 0.265 nan 8.150 nan 0.000 0.552 19 R N 0.125 120.571 120.500 -0.090 0.000 2.066 19 R HA -0.063 4.320 4.340 0.072 0.000 0.232 19 R C 2.337 178.638 176.300 0.001 0.000 1.131 19 R CA 1.347 57.426 56.100 -0.034 0.000 0.955 19 R CB -0.207 30.058 30.300 -0.058 0.000 0.851 19 R HN 0.456 nan 8.270 nan 0.000 0.432 20 A N 0.050 122.867 122.820 -0.005 0.000 1.917 20 A HA -0.179 4.184 4.320 0.072 0.000 0.219 20 A C 2.153 179.750 177.584 0.022 0.000 1.182 20 A CA 2.211 54.252 52.037 0.006 0.000 0.633 20 A CB -0.850 18.151 19.000 0.002 0.000 0.819 20 A HN 0.374 nan 8.150 nan 0.000 0.448 21 T N -0.176 114.415 114.554 0.061 0.000 2.777 21 T HA -0.140 4.254 4.350 0.072 0.000 0.266 21 T C 2.077 176.833 174.700 0.094 0.000 1.040 21 T CA 1.643 63.792 62.100 0.082 0.000 1.141 21 T CB -0.236 68.731 68.868 0.165 0.000 0.868 21 T HN 0.634 nan 8.240 nan 0.000 0.444 22 Q N 0.760 120.637 119.800 0.128 0.000 2.079 22 Q HA -0.105 4.278 4.340 0.072 0.000 0.200 22 Q C 2.614 178.641 176.000 0.046 0.000 0.974 22 Q CA 1.195 57.058 55.803 0.100 0.000 0.840 22 Q CB -0.169 28.625 28.738 0.093 0.000 0.898 22 Q HN 0.590 nan 8.270 nan 0.000 0.430 23 Q N -0.103 119.714 119.800 0.029 0.000 2.061 23 Q HA -0.166 4.217 4.340 0.072 0.000 0.204 23 Q C 2.238 178.240 176.000 0.004 0.000 0.984 23 Q CA 1.668 57.476 55.803 0.009 0.000 0.846 23 Q CB -0.078 28.660 28.738 -0.001 0.000 0.902 23 Q HN 0.233 nan 8.270 nan 0.000 0.421 24 V N 0.709 120.626 119.914 0.005 0.000 2.427 24 V HA -0.243 3.920 4.120 0.072 0.000 0.248 24 V C 2.191 178.281 176.094 -0.005 0.000 1.051 24 V CA 1.724 64.021 62.300 -0.004 0.000 1.048 24 V CB -0.892 30.924 31.823 -0.012 0.000 0.666 24 V HN 0.382 nan 8.190 nan 0.000 0.456 25 A N -0.409 122.412 122.820 0.001 0.000 1.929 25 A HA -0.220 4.143 4.320 0.072 0.000 0.216 25 A C 2.283 179.867 177.584 0.001 0.000 1.176 25 A CA 1.757 53.791 52.037 -0.005 0.000 0.628 25 A CB -0.393 18.609 19.000 0.003 0.000 0.816 25 A HN 0.606 nan 8.150 nan 0.000 0.444 26 E N -0.056 120.148 120.200 0.008 0.000 2.047 26 E HA -0.077 4.316 4.350 0.072 0.000 0.191 26 E C 2.170 178.773 176.600 0.006 0.000 0.987 26 E CA 0.923 57.327 56.400 0.007 0.000 0.799 26 E CB -0.264 29.440 29.700 0.007 0.000 0.752 26 E HN 0.506 nan 8.360 nan 0.000 0.449 27 A N 1.250 124.072 122.820 0.004 0.000 1.892 27 A HA -0.214 4.149 4.320 0.072 0.000 0.218 27 A C 2.215 179.807 177.584 0.014 0.000 1.188 27 A CA 1.527 53.568 52.037 0.006 0.000 0.631 27 A CB -0.855 18.145 19.000 -0.000 0.000 0.822 27 A HN 0.342 nan 8.150 nan 0.000 0.447 28 L N -1.451 119.779 121.223 0.012 0.000 2.141 28 L HA -0.161 4.222 4.340 0.072 0.000 0.209 28 L C 2.859 179.746 176.870 0.029 0.000 1.094 28 L CA 1.230 56.083 54.840 0.021 0.000 0.763 28 L CB -0.437 41.625 42.059 0.006 0.000 0.908 28 L HN 0.371 nan 8.230 nan 0.000 0.437 29 R N -0.152 120.360 120.500 0.019 0.000 2.096 29 R HA -0.105 4.278 4.340 0.072 0.000 0.235 29 R C 2.355 178.667 176.300 0.020 0.000 1.127 29 R CA 1.114 57.225 56.100 0.019 0.000 0.968 29 R CB -0.642 29.664 30.300 0.011 0.000 0.861 29 R HN 0.438 nan 8.270 nan 0.000 0.440 30 G N 1.214 110.026 108.800 0.020 0.000 2.545 30 G HA2 -0.318 3.685 3.960 0.072 0.000 0.217 30 G HA3 -0.318 3.685 3.960 0.072 0.000 0.217 30 G C 1.300 176.220 174.900 0.033 0.000 1.218 30 G CA 0.825 45.939 45.100 0.022 0.000 0.787 30 G HN 0.265 nan 8.290 nan 0.000 0.571 31 R N 0.164 120.695 120.500 0.051 0.000 2.174 31 R HA -0.127 4.256 4.340 0.072 0.000 0.253 31 R C 2.805 179.138 176.300 0.055 0.000 1.165 31 R CA 1.199 57.350 56.100 0.085 0.000 0.984 31 R CB -0.600 29.757 30.300 0.095 0.000 0.873 31 R HN 0.403 nan 8.270 nan 0.000 0.456 32 G N 0.752 109.573 108.800 0.035 0.000 2.408 32 G HA2 -0.185 3.819 3.960 0.072 0.000 0.217 32 G HA3 -0.185 3.819 3.960 0.072 0.000 0.217 32 G C 1.405 176.290 174.900 -0.024 0.000 1.150 32 G CA 0.399 45.508 45.100 0.015 0.000 0.776 32 G HN 0.154 nan 8.290 nan 0.000 0.542 33 L N 0.613 121.824 121.223 -0.020 0.000 2.056 33 L HA 0.058 4.441 4.340 0.072 0.000 0.207 33 L C 3.114 179.937 176.870 -0.079 0.000 1.078 33 L CA 0.962 55.781 54.840 -0.035 0.000 0.749 33 L CB -0.553 41.498 42.059 -0.014 0.000 0.901 33 L HN 0.237 nan 8.230 nan 0.000 0.433 34 A N 0.397 123.157 122.820 -0.099 0.000 2.248 34 A HA 0.178 4.541 4.320 0.072 0.000 0.210 34 A C 1.730 178.983 177.584 -0.550 0.000 1.174 34 A CA 0.763 52.669 52.037 -0.219 0.000 0.750 34 A CB -1.044 17.922 19.000 -0.057 0.000 0.780 34 A HN 0.603 nan 8.150 nan 0.000 0.478 35 G N -1.001 107.596 108.800 -0.338 0.000 2.273 35 G HA2 -0.251 3.752 3.960 0.072 0.000 0.280 35 G HA3 -0.251 3.752 3.960 0.072 0.000 0.280 35 G C 0.148 174.832 174.900 -0.360 0.000 1.047 35 G CA 0.539 45.450 45.100 -0.315 0.000 0.869 35 G HN 0.715 nan 8.290 nan 0.000 0.502 36 H N -1.743 117.327 119.070 -0.000 0.000 2.492 36 H HA 0.438 5.037 4.556 0.072 0.000 0.264 36 H C 0.125 175.458 175.328 0.009 0.000 1.150 36 H CA -0.332 55.717 56.048 0.000 0.000 0.962 36 H CB 0.645 30.409 29.762 0.003 0.000 1.766 36 H HN 0.385 nan 8.280 nan 0.000 0.589 37 L N 2.615 123.890 121.223 0.086 0.000 2.409 37 L HA 0.411 4.795 4.340 0.072 0.000 0.272 37 L C -1.951 174.931 176.870 0.021 0.000 0.980 37 L CA -1.652 53.240 54.840 0.087 0.000 0.826 37 L CB 2.086 44.209 42.059 0.106 0.000 1.268 37 L HN -0.192 nan 8.230 nan 0.000 0.407 38 P HA 0.099 nan 4.420 nan 0.000 0.259 38 P C -1.313 175.624 177.300 -0.605 0.000 1.480 38 P CA 0.445 63.375 63.100 -0.284 0.000 0.842 38 P CB -0.464 31.029 31.700 -0.345 0.000 1.513 39 Y N -1.104 119.176 120.300 -0.034 0.000 2.534 39 Y HA 0.245 4.838 4.550 0.072 0.000 0.345 39 Y C 1.153 177.029 175.900 -0.041 0.000 1.031 39 Y CA -0.842 57.234 58.100 -0.039 0.000 1.022 39 Y CB 1.614 40.065 38.460 -0.015 0.000 1.292 39 Y HN -0.249 nan 8.280 nan 0.000 0.459 40 D N 1.080 121.535 120.400 0.093 0.000 2.350 40 D HA 0.014 4.697 4.640 0.072 0.000 0.213 40 D C -0.211 176.195 176.300 0.177 0.000 1.031 40 D CA 0.732 54.760 54.000 0.046 0.000 0.861 40 D CB 0.778 41.467 40.800 -0.185 0.000 0.926 40 D HN 0.792 nan 8.370 nan 0.000 0.520 41 E N -0.954 119.369 120.200 0.205 0.000 2.407 41 E HA 0.439 4.833 4.350 0.072 0.000 0.279 41 E C -1.505 175.135 176.600 0.067 0.000 1.012 41 E CA -0.917 55.559 56.400 0.127 0.000 0.800 41 E CB 1.813 31.581 29.700 0.113 0.000 1.276 41 E HN -0.281 nan 8.360 nan 0.000 0.452 42 V N 2.548 122.470 119.914 0.014 0.000 2.380 42 V HA 0.346 4.509 4.120 0.072 0.000 0.286 42 V C -0.275 175.800 176.094 -0.033 0.000 1.015 42 V CA -0.562 61.720 62.300 -0.031 0.000 0.834 42 V CB 0.613 32.418 31.823 -0.030 0.000 1.009 42 V HN 0.584 nan 8.190 nan 0.000 0.428 43 L N 3.597 124.793 121.223 -0.046 0.000 2.400 43 L HA 0.709 5.092 4.340 0.072 0.000 0.264 43 L C 0.087 176.922 176.870 -0.057 0.000 1.061 43 L CA -0.712 54.105 54.840 -0.038 0.000 0.799 43 L CB 1.531 43.569 42.059 -0.034 0.000 1.240 43 L HN 0.568 nan 8.230 nan 0.000 0.461 44 E N -0.634 119.535 120.200 -0.053 0.000 2.312 44 E HA 0.708 5.101 4.350 0.072 0.000 0.267 44 E C -0.763 175.714 176.600 -0.204 0.000 0.894 44 E CA -0.797 55.514 56.400 -0.149 0.000 0.773 44 E CB 2.369 32.020 29.700 -0.081 0.000 1.241 44 E HN 0.690 nan 8.360 nan 0.000 0.432 45 G N 0.892 109.431 108.800 -0.435 0.000 2.696 45 G HA2 0.590 4.593 3.960 0.072 0.000 0.295 45 G HA3 0.590 4.593 3.960 0.072 0.000 0.295 45 G C -1.870 172.648 174.900 -0.637 0.000 1.398 45 G CA -0.467 44.426 45.100 -0.346 0.000 0.920 45 G HN 0.343 nan 8.290 nan 0.000 0.492 46 Y N -0.607 119.774 120.300 0.136 0.000 2.512 46 Y HA 0.392 4.985 4.550 0.071 0.000 0.348 46 Y C 0.358 176.398 175.900 0.233 0.000 0.990 46 Y CA -0.915 57.291 58.100 0.178 0.000 1.033 46 Y CB 2.114 40.659 38.460 0.142 0.000 1.259 46 Y HN 0.696 nan 8.280 nan 0.000 0.461 47 W N 1.545 122.945 121.300 0.167 0.000 2.379 47 W HA -0.081 4.622 4.660 0.071 0.000 0.307 47 W C 0.979 177.531 176.519 0.056 0.000 1.200 47 W CA 1.771 59.140 57.345 0.039 0.000 1.297 47 W CB 0.159 29.569 29.460 -0.084 0.000 1.140 47 W HN 0.491 nan 8.180 nan 0.000 0.507 48 Q N 0.511 120.333 119.800 0.037 0.000 2.188 48 Q HA 0.140 4.523 4.340 0.072 0.000 0.212 48 Q C -0.184 175.883 176.000 0.111 0.000 0.846 48 Q CA 0.271 56.000 55.803 -0.124 0.000 0.989 48 Q CB 0.462 28.978 28.738 -0.371 0.000 1.114 48 Q HN 0.579 nan 8.270 nan 0.000 0.488 49 Q N -1.658 118.239 119.800 0.161 0.000 2.685 49 Q HA 0.449 4.832 4.340 0.072 0.000 0.301 49 Q C -1.131 174.954 176.000 0.140 0.000 0.924 49 Q CA -0.828 55.037 55.803 0.104 0.000 0.755 49 Q CB 1.083 29.861 28.738 0.067 0.000 1.470 49 Q HN -0.100 nan 8.270 nan 0.000 0.434 50 E N 1.464 121.695 120.200 0.053 0.000 2.343 50 E HA 0.303 4.696 4.350 0.072 0.000 0.269 50 E C -2.251 174.440 176.600 0.151 0.000 1.047 50 E CA -1.937 54.522 56.400 0.098 0.000 0.874 50 E CB 0.785 30.505 29.700 0.034 0.000 1.033 50 E HN 0.336 nan 8.360 nan 0.000 0.409 51 P HA 0.051 nan 4.420 nan 0.000 0.271 51 P C -0.314 177.118 177.300 0.220 0.000 1.220 51 P CA -0.088 63.134 63.100 0.203 0.000 0.768 51 P CB 0.736 32.539 31.700 0.171 0.000 0.848 52 G N 2.135 111.030 108.800 0.159 0.000 2.462 52 G HA2 0.327 4.331 3.960 0.072 0.000 0.319 52 G HA3 0.327 4.331 3.960 0.072 0.000 0.319 52 G C 1.016 175.987 174.900 0.118 0.000 1.171 52 G CA -0.848 44.347 45.100 0.160 0.000 0.920 52 G HN 0.392 nan 8.290 nan 0.000 0.499 53 L N 0.176 121.472 121.223 0.122 0.000 2.081 53 L HA -0.133 4.250 4.340 0.072 0.000 0.212 53 L C 2.993 179.888 176.870 0.042 0.000 1.080 53 L CA 0.910 55.788 54.840 0.063 0.000 0.754 53 L CB -0.264 41.823 42.059 0.046 0.000 0.893 53 L HN 0.380 nan 8.230 nan 0.000 0.433 54 R N 0.176 120.712 120.500 0.060 0.000 2.189 54 R HA -0.093 4.290 4.340 0.072 0.000 0.218 54 R C 2.035 178.375 176.300 0.066 0.000 1.074 54 R CA 0.975 57.105 56.100 0.051 0.000 0.991 54 R CB -0.332 30.001 30.300 0.055 0.000 0.883 54 R HN 0.590 nan 8.270 nan 0.000 0.457 55 Q N -0.399 119.449 119.800 0.080 0.000 2.376 55 Q HA 0.075 4.458 4.340 0.072 0.000 0.206 55 Q C 2.016 178.066 176.000 0.084 0.000 0.921 55 Q CA 0.111 55.971 55.803 0.094 0.000 0.911 55 Q CB 0.154 28.958 28.738 0.110 0.000 1.032 55 Q HN -0.013 nan 8.270 nan 0.000 0.510 56 V N 1.315 121.265 119.914 0.061 0.000 2.282 56 V HA -0.271 3.892 4.120 0.072 0.000 0.249 56 V C 1.962 178.079 176.094 0.039 0.000 1.057 56 V CA 1.728 64.054 62.300 0.043 0.000 1.032 56 V CB -0.212 31.619 31.823 0.013 0.000 0.645 56 V HN 0.390 nan 8.190 nan 0.000 0.447 57 L N 0.008 121.251 121.223 0.033 0.000 2.156 57 L HA -0.120 4.263 4.340 0.072 0.000 0.208 57 L C 2.619 179.519 176.870 0.049 0.000 1.095 57 L CA 1.764 56.619 54.840 0.025 0.000 0.770 57 L CB -0.574 41.493 42.059 0.013 0.000 0.914 57 L HN 0.448 nan 8.230 nan 0.000 0.439 58 R N 0.048 120.597 120.500 0.081 0.000 2.328 58 R HA -0.093 4.290 4.340 0.072 0.000 0.207 58 R C 1.622 178.036 176.300 0.190 0.000 1.056 58 R CA 1.491 57.666 56.100 0.125 0.000 1.016 58 R CB -0.555 29.826 30.300 0.134 0.000 0.872 58 R HN 0.330 nan 8.270 nan 0.000 0.471 59 T N -2.181 112.469 114.554 0.160 0.000 3.022 59 T HA 0.172 4.565 4.350 0.072 0.000 0.250 59 T C 0.784 175.521 174.700 0.062 0.000 1.060 59 T CA 0.010 62.248 62.100 0.230 0.000 1.013 59 T CB -0.010 68.973 68.868 0.190 0.000 0.982 59 T HN 0.164 nan 8.240 nan 0.000 0.508 60 V N 0.581 120.455 119.914 -0.066 0.000 2.655 60 V HA 0.726 4.890 4.120 0.072 0.000 0.300 60 V C 1.492 177.230 176.094 -0.594 0.000 1.044 60 V CA -0.124 62.040 62.300 -0.228 0.000 1.095 60 V CB 0.243 32.002 31.823 -0.105 0.000 0.952 60 V HN 0.334 nan 8.190 nan 0.000 0.485 61 A N 3.192 125.489 122.820 -0.871 0.000 2.132 61 A HA 0.365 4.728 4.320 0.072 0.000 0.213 61 A C 0.661 177.632 177.584 -1.021 0.000 1.154 61 A CA 0.514 51.754 52.037 -1.329 0.000 0.753 61 A CB -0.272 17.893 19.000 -1.391 0.000 0.826 61 A HN 0.925 nan 8.150 nan 0.000 0.469 62 Y N -1.646 118.557 120.300 -0.161 0.000 2.633 62 Y HA 0.416 5.009 4.550 0.072 0.000 0.339 62 Y C 1.389 177.262 175.900 -0.044 0.000 1.045 62 Y CA -0.869 57.188 58.100 -0.071 0.000 1.098 62 Y CB 1.314 39.749 38.460 -0.042 0.000 1.296 62 Y HN 0.044 nan 8.280 nan 0.000 0.494 63 S N -1.766 114.028 115.700 0.156 0.000 2.558 63 S HA 0.032 4.545 4.470 0.072 0.000 0.217 63 S C -0.050 174.593 174.600 0.073 0.000 0.975 63 S CA 0.093 58.341 58.200 0.081 0.000 0.912 63 S CB 0.077 63.314 63.200 0.062 0.000 0.776 63 S HN 0.678 nan 8.310 nan 0.000 0.526 64 D N 1.701 122.159 120.400 0.096 0.000 2.349 64 D HA 0.393 5.076 4.640 0.072 0.000 0.232 64 D C -1.242 175.122 176.300 0.107 0.000 1.071 64 D CA -0.216 53.832 54.000 0.080 0.000 0.832 64 D CB 1.999 42.835 40.800 0.059 0.000 1.086 64 D HN 0.161 nan 8.370 nan 0.000 0.504 65 V N 2.968 122.931 119.914 0.081 0.000 2.656 65 V HA 0.615 4.778 4.120 0.072 0.000 0.307 65 V C -0.876 175.251 176.094 0.054 0.000 1.051 65 V CA -0.212 62.130 62.300 0.070 0.000 0.893 65 V CB 2.107 33.952 31.823 0.037 0.000 0.999 65 V HN 0.515 nan 8.190 nan 0.000 0.426 66 T N 5.792 120.361 114.554 0.024 0.000 2.807 66 T HA 0.654 5.047 4.350 0.072 0.000 0.279 66 T C -0.671 173.990 174.700 -0.065 0.000 0.993 66 T CA -0.401 61.690 62.100 -0.014 0.000 0.970 66 T CB 1.495 70.345 68.868 -0.030 0.000 0.950 66 T HN 0.690 nan 8.240 nan 0.000 0.441 67 V N 3.634 123.530 119.914 -0.030 0.000 2.378 67 V HA 0.464 4.628 4.120 0.072 0.000 0.288 67 V C -0.311 175.721 176.094 -0.104 0.000 1.016 67 V CA -0.798 61.490 62.300 -0.020 0.000 0.840 67 V CB 1.573 33.468 31.823 0.119 0.000 0.994 67 V HN 0.729 nan 8.190 nan 0.000 0.431 68 V N 7.339 127.179 119.914 -0.122 0.000 2.357 68 V HA 0.391 4.555 4.120 0.072 0.000 0.284 68 V C -2.433 173.614 176.094 -0.078 0.000 1.018 68 V CA -2.120 60.090 62.300 -0.150 0.000 0.841 68 V CB 1.941 33.683 31.823 -0.135 0.000 0.991 68 V HN 0.714 nan 8.190 nan 0.000 0.437 69 P HA 0.141 nan 4.420 nan 0.000 0.276 69 P C -0.130 177.312 177.300 0.238 0.000 1.264 69 P CA -0.002 63.180 63.100 0.136 0.000 0.769 69 P CB 0.728 32.419 31.700 -0.015 0.000 0.840 70 V N 5.792 125.858 119.914 0.252 0.000 2.071 70 V HA 0.219 4.382 4.120 0.072 0.000 0.254 70 V C -0.194 175.876 176.094 -0.039 0.000 1.456 70 V CA 0.363 62.696 62.300 0.055 0.000 1.383 70 V CB -1.813 29.988 31.823 -0.037 0.000 1.433 70 V HN 0.414 nan 8.190 nan 0.000 0.499 71 F N 1.334 121.278 119.950 -0.010 0.000 2.569 71 F HA 0.478 5.048 4.527 0.071 0.000 0.312 71 F C 0.613 176.389 175.800 -0.039 0.000 1.109 71 F CA -0.663 57.342 58.000 0.008 0.000 0.919 71 F CB 2.405 41.427 39.000 0.036 0.000 1.211 71 F HN 0.013 nan 8.300 nan 0.000 0.446 72 L N 1.556 122.812 121.223 0.056 0.000 2.607 72 L HA 0.166 4.549 4.340 0.072 0.000 0.228 72 L C 0.571 177.513 176.870 0.120 0.000 1.123 72 L CA 0.153 54.934 54.840 -0.099 0.000 0.890 72 L CB -0.228 41.489 42.059 -0.570 0.000 1.103 72 L HN 0.604 nan 8.230 nan 0.000 0.468 73 S N -1.150 114.662 115.700 0.187 0.000 2.704 73 S HA 0.508 5.022 4.470 0.072 0.000 0.305 73 S C -0.488 174.203 174.600 0.153 0.000 1.107 73 S CA -0.666 57.648 58.200 0.190 0.000 0.993 73 S CB 2.666 65.976 63.200 0.184 0.000 1.110 73 S HN 0.141 nan 8.310 nan 0.000 0.534 74 E N -0.307 119.961 120.200 0.113 0.000 2.343 74 E HA 0.562 4.956 4.350 0.072 0.000 0.260 74 E C -0.352 176.283 176.600 0.059 0.000 0.908 74 E CA -0.464 55.975 56.400 0.066 0.000 0.814 74 E CB 0.812 30.553 29.700 0.067 0.000 1.302 74 E HN 1.009 nan 8.360 nan 0.000 0.408 75 G N 1.935 110.757 108.800 0.037 0.000 2.510 75 G HA2 -0.063 3.940 3.960 0.072 0.000 0.277 75 G HA3 -0.063 3.940 3.960 0.072 0.000 0.277 75 G C -0.322 174.608 174.900 0.050 0.000 1.223 75 G CA -0.131 45.010 45.100 0.068 0.000 0.887 75 G HN 0.494 nan 8.290 nan 0.000 0.485 76 Y N 0.542 120.823 120.300 -0.031 0.000 2.114 76 Y HA -0.117 4.476 4.550 0.072 0.000 0.282 76 Y C 2.517 178.329 175.900 -0.147 0.000 1.165 76 Y CA 2.993 61.055 58.100 -0.062 0.000 1.148 76 Y CB -0.548 37.896 38.460 -0.026 0.000 0.972 76 Y HN 0.130 nan 8.280 nan 0.000 0.504 77 V N 0.590 120.244 119.914 -0.433 0.000 2.244 77 V HA -0.296 3.867 4.120 0.072 0.000 0.244 77 V C 2.693 178.414 176.094 -0.622 0.000 1.042 77 V CA 2.754 64.618 62.300 -0.727 0.000 1.006 77 V CB -1.450 30.098 31.823 -0.458 0.000 0.641 77 V HN 0.701 nan 8.190 nan 0.000 0.446 78 T N -1.610 112.658 114.554 -0.476 0.000 2.833 78 T HA -0.193 4.200 4.350 0.072 0.000 0.269 78 T C 1.571 176.191 174.700 -0.132 0.000 1.054 78 T CA 1.823 63.709 62.100 -0.358 0.000 1.135 78 T CB -0.311 68.389 68.868 -0.280 0.000 0.869 78 T HN 0.601 nan 8.240 nan 0.000 0.466 79 E N 0.022 120.153 120.200 -0.116 0.000 2.250 79 E HA 0.068 4.461 4.350 0.072 0.000 0.192 79 E C 1.856 178.426 176.600 -0.051 0.000 0.986 79 E CA 0.972 57.369 56.400 -0.005 0.000 0.849 79 E CB 0.293 30.013 29.700 0.033 0.000 0.797 79 E HN 0.489 nan 8.360 nan 0.000 0.482 80 T N -0.446 113.994 114.554 -0.189 0.000 3.182 80 T HA 0.033 4.426 4.350 0.072 0.000 0.244 80 T C 1.962 176.444 174.700 -0.364 0.000 0.981 80 T CA 0.078 62.049 62.100 -0.215 0.000 1.182 80 T CB 0.015 68.806 68.868 -0.127 0.000 1.043 80 T HN -0.121 nan 8.240 nan 0.000 0.424 81 V N 2.810 122.352 119.914 -0.619 0.000 2.233 81 V HA -0.128 4.035 4.120 0.072 0.000 0.247 81 V C 2.558 178.293 176.094 -0.599 0.000 1.050 81 V CA 1.716 63.578 62.300 -0.730 0.000 1.010 81 V CB -0.845 30.231 31.823 -1.246 0.000 0.637 81 V HN 0.384 nan 8.190 nan 0.000 0.444 82 L N -0.191 120.674 121.223 -0.596 0.000 1.994 82 L HA -0.123 4.260 4.340 0.072 0.000 0.208 82 L C 0.188 176.795 176.870 -0.438 0.000 1.071 82 L CA 1.924 56.486 54.840 -0.464 0.000 0.745 82 L CB -2.163 39.685 42.059 -0.351 0.000 0.892 82 L HN 0.375 nan 8.230 nan 0.000 0.431 83 P HA -0.163 nan 4.420 nan 0.000 0.216 83 P C 1.544 178.656 177.300 -0.313 0.000 1.153 83 P CA 1.260 64.038 63.100 -0.538 0.000 0.848 83 P CB -0.137 31.279 31.700 -0.473 0.000 0.787 84 R N 0.227 120.568 120.500 -0.265 0.000 2.096 84 R HA -0.177 4.206 4.340 0.072 0.000 0.240 84 R C 2.026 178.222 176.300 -0.172 0.000 1.139 84 R CA 1.542 57.525 56.100 -0.195 0.000 0.952 84 R CB -0.390 29.796 30.300 -0.190 0.000 0.854 84 R HN 0.101 nan 8.270 nan 0.000 0.436 85 E N 0.284 120.365 120.200 -0.198 0.000 2.107 85 E HA -0.133 4.260 4.350 0.072 0.000 0.191 85 E C 1.872 178.404 176.600 -0.113 0.000 0.982 85 E CA 0.561 56.881 56.400 -0.134 0.000 0.809 85 E CB -0.048 29.575 29.700 -0.129 0.000 0.756 85 E HN 0.249 nan 8.360 nan 0.000 0.459 86 L N -0.014 121.113 121.223 -0.160 0.000 2.376 86 L HA 0.027 4.410 4.340 0.072 0.000 0.219 86 L C 1.379 178.176 176.870 -0.121 0.000 1.133 86 L CA 1.453 56.211 54.840 -0.137 0.000 0.816 86 L CB -1.188 40.753 42.059 -0.197 0.000 0.933 86 L HN 0.300 nan 8.230 nan 0.000 0.449 87 G N -0.830 107.892 108.800 -0.130 0.000 2.160 87 G HA2 -0.285 3.718 3.960 0.072 0.000 0.244 87 G HA3 -0.285 3.718 3.960 0.072 0.000 0.244 87 G C 1.021 175.857 174.900 -0.107 0.000 1.022 87 G CA 0.489 45.526 45.100 -0.105 0.000 0.741 87 G HN 0.397 nan 8.290 nan 0.000 0.508 88 L N 0.273 121.411 121.223 -0.143 0.000 2.492 88 L HA 0.307 4.690 4.340 0.072 0.000 0.223 88 L C 2.023 178.851 176.870 -0.071 0.000 1.132 88 L CA 0.602 55.367 54.840 -0.125 0.000 0.850 88 L CB -0.329 41.602 42.059 -0.212 0.000 0.966 88 L HN 1.037 nan 8.230 nan 0.000 0.454 89 G N 0.983 109.741 108.800 -0.070 0.000 2.374 89 G HA2 -0.314 3.689 3.960 0.072 0.000 0.289 89 G HA3 -0.314 3.689 3.960 0.072 0.000 0.289 89 G C -0.294 174.613 174.900 0.013 0.000 1.004 89 G CA 0.569 45.644 45.100 -0.041 0.000 1.292 89 G HN 0.658 nan 8.290 nan 0.000 0.502 90 H N -0.316 118.684 119.070 -0.116 0.000 3.085 90 H HA 0.637 5.236 4.556 0.072 0.000 0.356 90 H C -0.323 174.944 175.328 -0.101 0.000 1.178 90 H CA -0.411 55.581 56.048 -0.094 0.000 1.214 90 H CB 1.373 31.080 29.762 -0.092 0.000 1.881 90 H HN 0.559 nan 8.280 nan 0.000 0.538 91 Q N 3.455 122.914 119.800 -0.569 0.000 2.421 91 Q HA 0.629 5.012 4.340 0.072 0.000 0.280 91 Q C -0.232 175.533 176.000 -0.392 0.000 1.085 91 Q CA -1.003 54.623 55.803 -0.295 0.000 0.807 91 Q CB 3.161 31.791 28.738 -0.180 0.000 1.405 91 Q HN 1.103 nan 8.270 nan 0.000 0.419 92 G N 0.861 109.595 108.800 -0.110 0.000 2.782 92 G HA2 -0.159 3.844 3.960 0.072 0.000 0.228 92 G HA3 -0.159 3.844 3.960 0.072 0.000 0.228 92 G C -2.738 172.242 174.900 0.135 0.000 1.372 92 G CA -0.849 44.234 45.100 -0.027 0.000 0.862 92 G HN 0.544 nan 8.290 nan 0.000 0.547 93 P HA 0.332 nan 4.420 nan 0.000 0.265 93 P C 0.094 177.519 177.300 0.208 0.000 1.187 93 P CA -0.280 62.898 63.100 0.129 0.000 0.766 93 P CB 0.750 32.492 31.700 0.070 0.000 0.820 94 V N 5.896 125.884 119.914 0.123 0.000 2.350 94 V HA 0.271 4.434 4.120 0.072 0.000 0.276 94 V C -1.488 174.621 176.094 0.025 0.000 1.028 94 V CA -1.564 60.759 62.300 0.038 0.000 0.860 94 V CB 0.844 32.642 31.823 -0.043 0.000 0.990 94 V HN 0.618 nan 8.190 nan 0.000 0.453 95 P HA 0.170 nan 4.420 nan 0.000 0.275 95 P C -0.011 177.293 177.300 0.007 0.000 1.266 95 P CA -0.287 62.828 63.100 0.025 0.000 0.793 95 P CB 0.390 32.111 31.700 0.035 0.000 1.074 96 T N -0.035 114.526 114.554 0.012 0.000 2.930 96 T HA 0.359 4.752 4.350 0.072 0.000 0.306 96 T C 1.343 176.050 174.700 0.012 0.000 1.045 96 T CA 1.358 63.466 62.100 0.014 0.000 1.134 96 T CB -0.185 68.692 68.868 0.014 0.000 0.961 96 T HN 0.831 nan 8.240 nan 0.000 0.545 97 G N 1.503 110.311 108.800 0.013 0.000 2.217 97 G HA2 0.094 4.097 3.960 0.072 0.000 0.246 97 G HA3 0.094 4.097 3.960 0.072 0.000 0.246 97 G C 0.750 175.647 174.900 -0.006 0.000 0.990 97 G CA 0.170 45.276 45.100 0.010 0.000 0.627 97 G HN 1.823 nan 8.290 nan 0.000 0.522 98 G N -2.034 106.751 108.800 -0.025 0.000 2.632 98 G HA2 0.184 4.187 3.960 0.072 0.000 0.224 98 G HA3 0.184 4.187 3.960 0.072 0.000 0.224 98 G C -0.224 174.653 174.900 -0.039 0.000 1.341 98 G CA 0.222 45.290 45.100 -0.052 0.000 0.880 98 G HN 1.571 nan 8.290 nan 0.000 0.566 99 V N -0.062 119.833 119.914 -0.031 0.000 2.448 99 V HA 0.624 4.787 4.120 0.072 0.000 0.295 99 V C 0.360 176.459 176.094 0.007 0.000 1.025 99 V CA -0.643 61.633 62.300 -0.041 0.000 0.859 99 V CB 1.542 33.268 31.823 -0.163 0.000 0.988 99 V HN 0.939 nan 8.190 nan 0.000 0.431 100 V N 6.078 125.999 119.914 0.010 0.000 2.459 100 V HA 0.711 4.875 4.120 0.072 0.000 0.295 100 V C -0.154 175.947 176.094 0.011 0.000 1.029 100 V CA -0.697 61.612 62.300 0.015 0.000 0.874 100 V CB 1.875 33.708 31.823 0.016 0.000 0.985 100 V HN 0.793 nan 8.190 nan 0.000 0.438 101 R N 2.778 123.282 120.500 0.007 0.000 2.698 101 R HA 0.608 4.991 4.340 0.072 0.000 0.275 101 R C -1.613 174.686 176.300 -0.001 0.000 1.001 101 R CA -0.728 55.371 56.100 -0.001 0.000 0.896 101 R CB 2.418 32.710 30.300 -0.014 0.000 1.218 101 R HN 0.437 nan 8.270 nan 0.000 0.462 102 V N 4.362 124.274 119.914 -0.003 0.000 2.333 102 V HA 0.440 4.603 4.120 0.072 0.000 0.274 102 V C -0.056 176.030 176.094 -0.012 0.000 1.028 102 V CA -0.682 61.616 62.300 -0.004 0.000 0.851 102 V CB 0.963 32.785 31.823 -0.002 0.000 1.000 102 V HN 0.563 nan 8.190 nan 0.000 0.456 103 L N 3.525 124.740 121.223 -0.014 0.000 2.438 103 L HA 1.046 5.429 4.340 0.072 0.000 0.270 103 L C 0.369 177.226 176.870 -0.021 0.000 0.972 103 L CA 0.013 54.838 54.840 -0.025 0.000 0.831 103 L CB 1.752 43.790 42.059 -0.036 0.000 1.273 103 L HN 0.810 nan 8.230 nan 0.000 0.405 104 G N 2.751 111.535 108.800 -0.027 0.000 2.531 104 G HA2 -0.159 3.844 3.960 0.072 0.000 0.274 104 G HA3 -0.159 3.844 3.960 0.072 0.000 0.274 104 G C 0.359 175.254 174.900 -0.008 0.000 1.159 104 G CA 0.014 45.103 45.100 -0.019 0.000 0.969 104 G HN 1.544 nan 8.290 nan 0.000 0.554 105 G N 0.310 109.111 108.800 0.001 0.000 4.804 105 G HA2 0.608 4.611 3.960 0.072 0.000 0.310 105 G HA3 0.608 4.611 3.960 0.072 0.000 0.310 105 G C 0.143 175.051 174.900 0.013 0.000 1.389 105 G CA 0.067 45.171 45.100 0.007 0.000 1.106 105 G HN 0.607 nan 8.290 nan 0.000 0.595 106 R N 0.311 120.817 120.500 0.010 0.000 2.621 106 R HA 0.492 4.875 4.340 0.072 0.000 0.292 106 R C -0.458 175.851 176.300 0.014 0.000 0.969 106 R CA -0.941 55.169 56.100 0.016 0.000 0.887 106 R CB 2.387 32.696 30.300 0.014 0.000 1.180 106 R HN 0.178 nan 8.270 nan 0.000 0.450 107 R N 2.764 123.277 120.500 0.022 0.000 2.221 107 R HA 0.358 4.741 4.340 0.072 0.000 0.327 107 R C -1.183 175.133 176.300 0.027 0.000 1.033 107 R CA -0.303 55.809 56.100 0.021 0.000 0.887 107 R CB 0.930 31.243 30.300 0.023 0.000 1.057 107 R HN 0.367 nan 8.270 nan 0.000 0.455 108 V N 5.558 125.486 119.914 0.022 0.000 2.487 108 V HA 0.432 4.595 4.120 0.072 0.000 0.298 108 V C -0.231 175.885 176.094 0.036 0.000 1.028 108 V CA -0.864 61.453 62.300 0.028 0.000 0.860 108 V CB 1.642 33.474 31.823 0.015 0.000 0.991 108 V HN 0.721 nan 8.190 nan 0.000 0.427 109 R N 3.325 123.852 120.500 0.046 0.000 2.343 109 R HA 0.449 4.832 4.340 0.072 0.000 0.320 109 R C -1.624 174.719 176.300 0.073 0.000 0.956 109 R CA -0.622 55.507 56.100 0.050 0.000 0.836 109 R CB 1.066 31.385 30.300 0.032 0.000 1.151 109 R HN 0.730 nan 8.270 nan 0.000 0.450 110 Y N 4.756 125.008 120.300 -0.079 0.000 2.367 110 Y HA 0.208 4.802 4.550 0.072 0.000 0.342 110 Y C -0.101 175.737 175.900 -0.103 0.000 0.979 110 Y CA -0.292 57.747 58.100 -0.101 0.000 1.161 110 Y CB 0.951 39.329 38.460 -0.136 0.000 1.155 110 Y HN 0.716 nan 8.280 nan 0.000 0.503 111 T N 3.747 118.022 114.554 -0.465 0.000 2.816 111 T HA 0.472 4.865 4.350 0.072 0.000 0.282 111 T C 0.287 174.713 174.700 -0.457 0.000 0.993 111 T CA -0.882 61.010 62.100 -0.348 0.000 0.994 111 T CB 0.710 69.450 68.868 -0.214 0.000 1.025 111 T HN 0.741 nan 8.240 nan 0.000 0.529 112 R N 1.522 121.887 120.500 -0.224 0.000 2.784 112 R HA 0.248 4.632 4.340 0.072 0.000 0.266 112 R C -2.186 174.027 176.300 -0.144 0.000 1.044 112 R CA -1.226 54.781 56.100 -0.153 0.000 1.151 112 R CB -0.357 29.925 30.300 -0.029 0.000 1.037 112 R HN 0.541 nan 8.270 nan 0.000 0.478 113 P HA -0.060 nan 4.420 nan 0.000 0.272 113 P C 0.567 177.895 177.300 0.046 0.000 1.230 113 P CA -0.275 62.813 63.100 -0.020 0.000 0.788 113 P CB 0.448 32.175 31.700 0.046 0.000 0.949 114 L N 2.579 123.834 121.223 0.054 0.000 2.021 114 L HA -0.163 4.221 4.340 0.072 0.000 0.215 114 L C 2.311 179.256 176.870 0.126 0.000 1.074 114 L CA 2.879 57.750 54.840 0.051 0.000 0.760 114 L CB -1.771 40.296 42.059 0.012 0.000 0.889 114 L HN 0.549 nan 8.230 nan 0.000 0.433 115 G N -1.521 107.367 108.800 0.147 0.000 2.479 115 G HA2 -0.215 3.789 3.960 0.072 0.000 0.220 115 G HA3 -0.215 3.789 3.960 0.072 0.000 0.220 115 G C 1.536 176.705 174.900 0.448 0.000 1.115 115 G CA 0.778 46.068 45.100 0.316 0.000 0.757 115 G HN 0.705 nan 8.290 nan 0.000 0.560 116 A N -0.303 122.683 122.820 0.278 0.000 1.968 116 A HA 0.102 4.465 4.320 0.072 0.000 0.217 116 A C 1.190 178.947 177.584 0.287 0.000 1.169 116 A CA 0.642 52.814 52.037 0.226 0.000 0.638 116 A CB -0.374 18.703 19.000 0.128 0.000 0.812 116 A HN 0.499 nan 8.150 nan 0.000 0.446 117 H N 0.039 119.219 119.070 0.183 0.000 2.683 117 H HA 0.255 4.854 4.556 0.072 0.000 0.339 117 H C -1.447 173.973 175.328 0.155 0.000 1.081 117 H CA -1.370 54.755 56.048 0.127 0.000 1.432 117 H CB 1.203 30.995 29.762 0.050 0.000 1.462 117 H HN 0.006 nan 8.280 nan 0.000 0.557 118 P HA -0.155 nan 4.420 nan 0.000 0.215 118 P C 1.490 178.769 177.300 -0.036 0.000 1.153 118 P CA 1.783 64.866 63.100 -0.030 0.000 0.853 118 P CB -0.233 31.387 31.700 -0.134 0.000 0.788 119 G N 0.285 109.165 108.800 0.133 0.000 2.717 119 G HA2 -0.313 3.690 3.960 0.072 0.000 0.224 119 G HA3 -0.313 3.690 3.960 0.072 0.000 0.224 119 G C 1.474 176.371 174.900 -0.006 0.000 1.088 119 G CA 1.134 46.329 45.100 0.158 0.000 0.734 119 G HN 0.147 nan 8.290 nan 0.000 0.616 120 M N 0.785 120.297 119.600 -0.147 0.000 2.279 120 M HA 0.055 4.578 4.480 0.072 0.000 0.264 120 M C 2.935 179.073 176.300 -0.270 0.000 1.062 120 M CA 0.858 56.007 55.300 -0.252 0.000 1.099 120 M CB -1.197 31.186 32.600 -0.361 0.000 1.394 120 M HN 0.357 nan 8.290 nan 0.000 0.426 121 A N 0.778 123.421 122.820 -0.296 0.000 1.873 121 A HA -0.209 4.154 4.320 0.072 0.000 0.218 121 A C 1.845 179.393 177.584 -0.060 0.000 1.193 121 A CA 2.112 54.083 52.037 -0.111 0.000 0.629 121 A CB -0.787 18.198 19.000 -0.024 0.000 0.826 121 A HN 0.438 nan 8.150 nan 0.000 0.447 122 D N 0.100 120.475 120.400 -0.041 0.000 2.149 122 D HA -0.084 4.599 4.640 0.072 0.000 0.198 122 D C 2.145 178.410 176.300 -0.058 0.000 0.990 122 D CA 1.566 55.553 54.000 -0.021 0.000 0.839 122 D CB -0.464 40.334 40.800 -0.002 0.000 0.948 122 D HN 0.476 nan 8.370 nan 0.000 0.460 123 A N 0.647 123.423 122.820 -0.073 0.000 1.929 123 A HA -0.065 4.298 4.320 0.072 0.000 0.216 123 A C 2.370 179.841 177.584 -0.190 0.000 1.176 123 A CA 0.555 52.518 52.037 -0.124 0.000 0.628 123 A CB -0.580 18.390 19.000 -0.051 0.000 0.816 123 A HN 0.141 nan 8.150 nan 0.000 0.444 124 I N -0.028 120.482 120.570 -0.100 0.000 2.179 124 I HA -0.297 3.916 4.170 0.072 0.000 0.242 124 I C 2.971 179.005 176.117 -0.137 0.000 1.088 124 I CA 1.194 62.437 61.300 -0.096 0.000 1.357 124 I CB -0.322 37.637 38.000 -0.069 0.000 1.051 124 I HN 0.340 nan 8.210 nan 0.000 0.409 125 A N 0.591 123.357 122.820 -0.089 0.000 1.902 125 A HA -0.163 4.200 4.320 0.072 0.000 0.217 125 A C 2.516 180.128 177.584 0.046 0.000 1.181 125 A CA 1.939 53.995 52.037 0.033 0.000 0.623 125 A CB -0.863 18.225 19.000 0.147 0.000 0.818 125 A HN 0.443 nan 8.150 nan 0.000 0.443 126 A N -0.958 121.807 122.820 -0.092 0.000 1.873 126 A HA -0.141 4.222 4.320 0.072 0.000 0.215 126 A C 2.154 179.587 177.584 -0.252 0.000 1.186 126 A CA 2.014 53.958 52.037 -0.155 0.000 0.616 126 A CB -0.565 18.296 19.000 -0.230 0.000 0.823 126 A HN 0.541 nan 8.150 nan 0.000 0.442 127 Q N 0.119 119.637 119.800 -0.471 0.000 2.077 127 Q HA -0.131 4.252 4.340 0.072 0.000 0.206 127 Q C 2.052 178.030 176.000 -0.037 0.000 0.989 127 Q CA 2.561 58.238 55.803 -0.211 0.000 0.853 127 Q CB -0.633 28.013 28.738 -0.154 0.000 0.907 127 Q HN 0.555 nan 8.270 nan 0.000 0.418 128 A N 0.254 123.046 122.820 -0.046 0.000 1.877 128 A HA -0.212 4.152 4.320 0.072 0.000 0.216 128 A C 2.170 179.817 177.584 0.105 0.000 1.186 128 A CA 1.762 53.805 52.037 0.010 0.000 0.620 128 A CB -0.612 18.331 19.000 -0.095 0.000 0.822 128 A HN 0.423 nan 8.150 nan 0.000 0.443 129 R N -0.323 120.265 120.500 0.147 0.000 2.127 129 R HA -0.140 4.243 4.340 0.072 0.000 0.238 129 R C 1.473 177.805 176.300 0.053 0.000 1.134 129 R CA 1.654 57.814 56.100 0.100 0.000 0.975 129 R CB -0.307 30.039 30.300 0.077 0.000 0.865 129 R HN 0.523 nan 8.270 nan 0.000 0.447 130 D N -1.065 119.376 120.400 0.069 0.000 2.178 130 D HA -0.088 4.596 4.640 0.072 0.000 0.202 130 D C 1.503 177.827 176.300 0.041 0.000 0.974 130 D CA 1.305 55.349 54.000 0.073 0.000 0.841 130 D CB -0.212 40.676 40.800 0.146 0.000 0.953 130 D HN 0.156 nan 8.370 nan 0.000 0.478 131 T N 0.524 115.099 114.554 0.035 0.000 3.055 131 T HA 0.064 4.457 4.350 0.072 0.000 0.265 131 T C 1.023 175.701 174.700 -0.037 0.000 1.111 131 T CA 0.167 62.279 62.100 0.020 0.000 1.118 131 T CB 0.088 68.974 68.868 0.029 0.000 0.909 131 T HN 0.053 nan 8.240 nan 0.000 0.501 132 L N 1.803 122.979 121.223 -0.078 0.000 2.395 132 L HA 0.317 4.700 4.340 0.072 0.000 0.269 132 L C -2.164 174.601 176.870 -0.174 0.000 1.133 132 L CA -2.476 52.230 54.840 -0.223 0.000 0.812 132 L CB -0.065 41.901 42.059 -0.155 0.000 1.125 132 L HN -0.171 nan 8.230 nan 0.000 0.452 133 P HA -0.118 nan 4.420 nan 0.000 0.259 133 P C 0.142 177.398 177.300 -0.073 0.000 1.155 133 P CA 0.375 63.407 63.100 -0.113 0.000 0.759 133 P CB 0.530 32.166 31.700 -0.106 0.000 0.753 134 E N 3.215 123.392 120.200 -0.039 0.000 2.058 134 E HA -0.170 4.223 4.350 0.072 0.000 0.194 134 E C 2.225 178.804 176.600 -0.034 0.000 0.997 134 E CA 1.969 58.351 56.400 -0.031 0.000 0.801 134 E CB -1.020 28.670 29.700 -0.017 0.000 0.746 134 E HN 0.640 nan 8.360 nan 0.000 0.450 135 G N 0.109 108.892 108.800 -0.028 0.000 3.135 135 G HA2 -0.414 3.590 3.960 0.072 0.000 0.315 135 G HA3 -0.414 3.590 3.960 0.072 0.000 0.315 135 G C 0.887 175.766 174.900 -0.034 0.000 1.187 135 G CA 1.902 46.987 45.100 -0.026 0.000 1.089 135 G HN 0.400 nan 8.290 nan 0.000 0.972 136 T N 1.420 115.943 114.554 -0.051 0.000 2.932 136 T HA 0.347 4.740 4.350 0.072 0.000 0.312 136 T C 0.084 174.751 174.700 -0.055 0.000 1.071 136 T CA 0.492 62.560 62.100 -0.052 0.000 1.128 136 T CB 1.254 70.074 68.868 -0.081 0.000 0.984 136 T HN 0.439 nan 8.240 nan 0.000 0.549 137 D N 2.818 123.189 120.400 -0.049 0.000 2.280 137 D HA 0.254 4.937 4.640 0.072 0.000 0.243 137 D C -1.618 174.630 176.300 -0.087 0.000 1.129 137 D CA -2.554 51.405 54.000 -0.067 0.000 0.848 137 D CB 1.384 42.153 40.800 -0.052 0.000 1.107 137 D HN 0.034 nan 8.370 nan 0.000 0.471 138 P HA -0.237 nan 4.420 nan 0.000 0.219 138 P C 0.953 178.126 177.300 -0.212 0.000 1.158 138 P CA 2.297 65.230 63.100 -0.279 0.000 0.895 138 P CB 0.092 31.473 31.700 -0.531 0.000 0.792 139 A N -0.798 121.923 122.820 -0.164 0.000 2.178 139 A HA -0.174 4.190 4.320 0.072 0.000 0.218 139 A C 1.705 179.284 177.584 -0.008 0.000 1.157 139 A CA 1.581 53.567 52.037 -0.084 0.000 0.689 139 A CB -0.979 17.978 19.000 -0.072 0.000 0.787 139 A HN 0.181 nan 8.150 nan 0.000 0.465 140 D N -0.569 119.832 120.400 0.002 0.000 2.323 140 D HA 0.077 4.760 4.640 0.072 0.000 0.209 140 D C 0.219 176.563 176.300 0.073 0.000 0.973 140 D CA 0.497 54.517 54.000 0.034 0.000 0.874 140 D CB 0.176 40.992 40.800 0.027 0.000 0.930 140 D HN 0.230 nan 8.370 nan 0.000 0.521 141 V N 1.397 121.373 119.914 0.104 0.000 2.472 141 V HA 0.178 4.342 4.120 0.072 0.000 0.290 141 V C 0.431 176.630 176.094 0.174 0.000 1.037 141 V CA -0.564 61.827 62.300 0.151 0.000 0.908 141 V CB 1.852 33.786 31.823 0.185 0.000 0.985 141 V HN -0.114 nan 8.190 nan 0.000 0.454 142 T N 6.191 120.820 114.554 0.125 0.000 2.727 142 T HA 0.262 4.656 4.350 0.072 0.000 0.295 142 T C -0.031 174.678 174.700 0.016 0.000 0.915 142 T CA -0.038 62.114 62.100 0.086 0.000 1.066 142 T CB 0.232 69.149 68.868 0.082 0.000 0.891 142 T HN 0.458 nan 8.240 nan 0.000 0.516 143 L N 5.676 126.868 121.223 -0.051 0.000 2.385 143 L HA 0.240 4.623 4.340 0.072 0.000 0.281 143 L C -0.976 175.789 176.870 -0.176 0.000 1.106 143 L CA -0.510 54.196 54.840 -0.223 0.000 0.856 143 L CB 0.168 41.907 42.059 -0.534 0.000 1.186 143 L HN 0.393 nan 8.230 nan 0.000 0.453 144 L N 6.498 127.616 121.223 -0.175 0.000 2.289 144 L HA 0.454 4.837 4.340 0.072 0.000 0.285 144 L C -0.146 176.631 176.870 -0.156 0.000 1.049 144 L CA -0.116 54.628 54.840 -0.161 0.000 0.804 144 L CB 1.565 43.494 42.059 -0.216 0.000 1.195 144 L HN 0.466 nan 8.230 nan 0.000 0.428 145 L N 4.762 125.911 121.223 -0.123 0.000 2.342 145 L HA 0.420 4.803 4.340 0.072 0.000 0.276 145 L C -0.661 176.174 176.870 -0.058 0.000 0.997 145 L CA -0.721 54.061 54.840 -0.097 0.000 0.838 145 L CB 1.679 43.663 42.059 -0.125 0.000 1.224 145 L HN 0.336 nan 8.230 nan 0.000 0.416 146 L N 3.959 125.164 121.223 -0.031 0.000 2.283 146 L HA 0.651 5.034 4.340 0.072 0.000 0.287 146 L C 0.204 177.100 176.870 0.043 0.000 1.073 146 L CA 0.153 54.985 54.840 -0.012 0.000 0.822 146 L CB 0.911 42.950 42.059 -0.033 0.000 1.186 146 L HN 0.647 nan 8.230 nan 0.000 0.436 147 A N 4.181 127.025 122.820 0.040 0.000 2.324 147 A HA 0.734 5.098 4.320 0.072 0.000 0.330 147 A C 0.955 178.568 177.584 0.049 0.000 1.165 147 A CA -0.050 52.034 52.037 0.079 0.000 0.813 147 A CB 1.233 20.273 19.000 0.066 0.000 1.197 147 A HN 1.035 nan 8.150 nan 0.000 0.484 148 A N 1.873 124.726 122.820 0.055 0.000 2.015 148 A HA 0.139 4.502 4.320 0.072 0.000 0.219 148 A C 1.208 178.813 177.584 0.035 0.000 1.163 148 A CA 1.100 53.153 52.037 0.027 0.000 0.646 148 A CB -0.010 18.998 19.000 0.013 0.000 0.806 148 A HN 0.749 nan 8.150 nan 0.000 0.448 149 R N -1.376 119.153 120.500 0.049 0.000 2.739 149 R HA 0.432 4.815 4.340 0.072 0.000 0.271 149 R C -3.163 173.160 176.300 0.038 0.000 1.010 149 R CA -1.874 54.253 56.100 0.044 0.000 0.897 149 R CB 1.486 31.820 30.300 0.056 0.000 1.236 149 R HN 0.016 nan 8.270 nan 0.000 0.466 150 P HA 0.192 nan 4.420 nan 0.000 0.276 150 P C 0.191 177.504 177.300 0.021 0.000 1.244 150 P CA 0.087 63.198 63.100 0.019 0.000 0.801 150 P CB 0.732 32.441 31.700 0.015 0.000 1.006 151 G N 0.717 109.523 108.800 0.010 0.000 2.136 151 G HA2 -0.236 3.767 3.960 0.072 0.000 0.242 151 G HA3 -0.236 3.767 3.960 0.072 0.000 0.242 151 G C 0.290 175.198 174.900 0.013 0.000 0.989 151 G CA -0.361 44.745 45.100 0.009 0.000 0.682 151 G HN 0.676 nan 8.290 nan 0.000 0.522 152 N N 1.083 119.791 118.700 0.013 0.000 2.739 152 N HA 0.476 5.259 4.740 0.072 0.000 0.266 152 N C 1.721 177.206 175.510 -0.042 0.000 1.168 152 N CA 0.809 53.870 53.050 0.018 0.000 1.055 152 N CB 0.243 38.762 38.487 0.053 0.000 1.393 152 N HN 0.530 nan 8.380 nan 0.000 0.514 153 A N 3.072 125.869 122.820 -0.038 0.000 1.892 153 A HA -0.195 4.168 4.320 0.072 0.000 0.218 153 A C 2.189 179.688 177.584 -0.143 0.000 1.188 153 A CA 1.995 53.988 52.037 -0.073 0.000 0.631 153 A CB -0.722 18.250 19.000 -0.046 0.000 0.822 153 A HN 0.613 nan 8.150 nan 0.000 0.447 154 A N -0.729 122.010 122.820 -0.134 0.000 1.908 154 A HA -0.057 4.306 4.320 0.072 0.000 0.218 154 A C 2.139 179.363 177.584 -0.599 0.000 1.181 154 A CA 1.826 53.701 52.037 -0.269 0.000 0.627 154 A CB -0.615 18.351 19.000 -0.058 0.000 0.818 154 A HN 0.709 nan 8.150 nan 0.000 0.445 155 L N -0.029 120.943 121.223 -0.417 0.000 1.994 155 L HA -0.161 4.222 4.340 0.072 0.000 0.208 155 L C 2.235 178.851 176.870 -0.423 0.000 1.071 155 L CA 2.428 56.920 54.840 -0.580 0.000 0.745 155 L CB -0.798 40.951 42.059 -0.516 0.000 0.892 155 L HN 0.366 nan 8.230 nan 0.000 0.431 156 E N -0.367 119.667 120.200 -0.278 0.000 2.108 156 E HA -0.250 4.144 4.350 0.072 0.000 0.203 156 E C 2.079 178.559 176.600 -0.200 0.000 1.022 156 E CA 2.078 58.363 56.400 -0.192 0.000 0.823 156 E CB -1.072 28.548 29.700 -0.133 0.000 0.744 156 E HN 0.579 nan 8.360 nan 0.000 0.456 157 T N 0.518 114.911 114.554 -0.268 0.000 2.720 157 T HA -0.172 4.222 4.350 0.072 0.000 0.268 157 T C 1.709 176.310 174.700 -0.167 0.000 1.037 157 T CA 1.882 63.843 62.100 -0.232 0.000 1.144 157 T CB -0.483 68.215 68.868 -0.282 0.000 0.864 157 T HN 0.469 nan 8.240 nan 0.000 0.444 158 H N 0.768 119.758 119.070 -0.132 0.000 2.395 158 H HA 0.278 4.877 4.556 0.071 0.000 0.299 158 H C 2.614 177.860 175.328 -0.136 0.000 1.070 158 H CA 0.570 56.538 56.048 -0.134 0.000 1.356 158 H CB -0.149 29.502 29.762 -0.186 0.000 1.401 158 H HN 0.381 nan 8.280 nan 0.000 0.524 159 A N 1.076 123.849 122.820 -0.078 0.000 1.858 159 A HA -0.276 4.088 4.320 0.072 0.000 0.216 159 A C 2.247 179.799 177.584 -0.054 0.000 1.190 159 A CA 1.883 53.866 52.037 -0.090 0.000 0.617 159 A CB -0.549 18.380 19.000 -0.119 0.000 0.827 159 A HN 0.305 nan 8.150 nan 0.000 0.443 160 Q N -0.360 119.407 119.800 -0.055 0.000 2.096 160 Q HA -0.063 4.320 4.340 0.072 0.000 0.204 160 Q C 2.097 178.090 176.000 -0.012 0.000 0.982 160 Q CA 2.131 57.913 55.803 -0.034 0.000 0.850 160 Q CB -0.599 28.114 28.738 -0.042 0.000 0.901 160 Q HN 0.596 nan 8.270 nan 0.000 0.422 161 A N -0.234 122.584 122.820 -0.003 0.000 1.933 161 A HA -0.131 4.232 4.320 0.072 0.000 0.218 161 A C 2.048 179.649 177.584 0.028 0.000 1.175 161 A CA 1.293 53.340 52.037 0.017 0.000 0.628 161 A CB -0.675 18.346 19.000 0.035 0.000 0.814 161 A HN 0.440 nan 8.150 nan 0.000 0.444 162 L N -1.187 120.050 121.223 0.023 0.000 2.093 162 L HA -0.171 4.212 4.340 0.072 0.000 0.208 162 L C 2.848 179.761 176.870 0.071 0.000 1.085 162 L CA 1.213 56.079 54.840 0.045 0.000 0.755 162 L CB -0.458 41.588 42.059 -0.022 0.000 0.904 162 L HN 0.359 nan 8.230 nan 0.000 0.435 163 R N 0.308 120.828 120.500 0.034 0.000 2.088 163 R HA -0.182 4.201 4.340 0.072 0.000 0.232 163 R C 2.159 178.482 176.300 0.039 0.000 1.136 163 R CA 1.814 57.937 56.100 0.038 0.000 0.926 163 R CB -0.454 29.854 30.300 0.013 0.000 0.837 163 R HN 0.417 nan 8.270 nan 0.000 0.429 164 E N 0.193 120.408 120.200 0.025 0.000 2.209 164 E HA -0.192 4.201 4.350 0.072 0.000 0.196 164 E C 2.067 178.683 176.600 0.027 0.000 0.993 164 E CA 0.766 57.178 56.400 0.020 0.000 0.819 164 E CB -0.059 29.647 29.700 0.011 0.000 0.745 164 E HN 0.255 nan 8.360 nan 0.000 0.477 165 R N -0.320 120.206 120.500 0.042 0.000 2.090 165 R HA -0.039 4.345 4.340 0.072 0.000 0.228 165 R C 1.708 178.035 176.300 0.046 0.000 1.110 165 R CA 0.926 57.054 56.100 0.047 0.000 0.973 165 R CB -0.309 30.027 30.300 0.061 0.000 0.869 165 R HN 0.342 nan 8.270 nan 0.000 0.440 166 G N 1.674 110.516 108.800 0.070 0.000 2.179 166 G HA2 -0.357 3.646 3.960 0.072 0.000 0.257 166 G HA3 -0.357 3.646 3.960 0.072 0.000 0.257 166 G C 0.640 175.544 174.900 0.008 0.000 1.010 166 G CA 0.897 46.028 45.100 0.051 0.000 0.736 166 G HN 0.513 nan 8.290 nan 0.000 0.513 167 Q N -1.263 118.527 119.800 -0.016 0.000 2.451 167 Q HA 0.388 4.772 4.340 0.072 0.000 0.206 167 Q C 0.291 175.972 176.000 -0.532 0.000 0.947 167 Q CA 0.276 55.903 55.803 -0.293 0.000 0.937 167 Q CB 0.046 28.509 28.738 -0.458 0.000 1.025 167 Q HN 0.514 nan 8.270 nan 0.000 0.511 168 F N -2.020 117.923 119.950 -0.012 0.000 2.618 168 F HA 0.537 5.107 4.527 0.073 0.000 0.332 168 F C 1.052 176.850 175.800 -0.004 0.000 1.061 168 F CA -0.593 57.401 58.000 -0.009 0.000 0.974 168 F CB 0.685 39.677 39.000 -0.013 0.000 1.310 168 F HN -0.146 nan 8.300 nan 0.000 0.491 169 A N 0.970 123.903 122.820 0.189 0.000 1.873 169 A HA 0.345 4.708 4.320 0.072 0.000 0.218 169 A C 0.982 178.626 177.584 0.100 0.000 1.193 169 A CA 1.791 53.894 52.037 0.110 0.000 0.629 169 A CB -0.977 18.081 19.000 0.096 0.000 0.826 169 A HN 1.106 nan 8.150 nan 0.000 0.447 170 G N -2.978 105.888 108.800 0.110 0.000 2.655 170 G HA2 0.479 4.482 3.960 0.072 0.000 0.296 170 G HA3 0.479 4.482 3.960 0.072 0.000 0.296 170 G C -1.545 173.373 174.900 0.031 0.000 1.485 170 G CA -0.175 44.965 45.100 0.067 0.000 0.869 170 G HN 0.496 nan 8.290 nan 0.000 0.540 171 V N 1.945 121.857 119.914 -0.004 0.000 2.350 171 V HA 0.571 4.734 4.120 0.072 0.000 0.276 171 V C -0.503 175.561 176.094 -0.051 0.000 1.028 171 V CA -0.633 61.629 62.300 -0.064 0.000 0.860 171 V CB 1.222 32.997 31.823 -0.081 0.000 0.990 171 V HN 0.658 nan 8.190 nan 0.000 0.453 172 E N 3.094 123.260 120.200 -0.057 0.000 2.266 172 E HA 0.519 4.912 4.350 0.072 0.000 0.268 172 E C -1.137 175.428 176.600 -0.058 0.000 0.879 172 E CA -0.674 55.701 56.400 -0.042 0.000 0.762 172 E CB 2.867 32.561 29.700 -0.010 0.000 1.199 172 E HN 0.351 nan 8.360 nan 0.000 0.422 173 V N 2.738 122.621 119.914 -0.052 0.000 2.432 173 V HA 0.290 4.454 4.120 0.072 0.000 0.275 173 V C 0.418 176.496 176.094 -0.027 0.000 1.043 173 V CA -0.558 61.710 62.300 -0.054 0.000 0.925 173 V CB 1.162 32.947 31.823 -0.064 0.000 0.985 173 V HN 0.474 nan 8.190 nan 0.000 0.466 174 V N 3.822 123.722 119.914 -0.024 0.000 3.103 174 V HA 0.719 4.882 4.120 0.072 0.000 0.318 174 V C -0.594 175.501 176.094 0.002 0.000 1.114 174 V CA -1.007 61.292 62.300 -0.001 0.000 1.020 174 V CB 2.150 33.976 31.823 0.006 0.000 1.085 174 V HN 0.601 nan 8.190 nan 0.000 0.446 175 L N 0.804 122.037 121.223 0.016 0.000 2.365 175 L HA 0.554 4.938 4.340 0.072 0.000 0.273 175 L C 0.271 177.152 176.870 0.019 0.000 1.000 175 L CA -0.535 54.316 54.840 0.017 0.000 0.819 175 L CB 2.037 44.109 42.059 0.021 0.000 1.284 175 L HN 0.779 nan 8.230 nan 0.000 0.418 176 E N 1.142 121.350 120.200 0.013 0.000 2.437 176 E HA 0.064 4.457 4.350 0.072 0.000 0.263 176 E C -0.303 176.307 176.600 0.017 0.000 1.030 176 E CA -0.136 56.270 56.400 0.010 0.000 0.934 176 E CB 0.820 30.520 29.700 0.000 0.000 0.943 176 E HN 0.550 nan 8.360 nan 0.000 0.444 177 S N 3.292 119.003 115.700 0.019 0.000 2.592 177 S HA 0.165 4.678 4.470 0.072 0.000 0.271 177 S C 1.095 175.705 174.600 0.017 0.000 1.326 177 S CA -0.993 57.221 58.200 0.023 0.000 1.024 177 S CB 1.444 64.661 63.200 0.027 0.000 0.921 177 S HN 0.456 nan 8.310 nan 0.000 0.527 178 R N 1.483 121.993 120.500 0.018 0.000 2.708 178 R HA -0.250 4.133 4.340 0.072 0.000 0.180 178 R C 0.836 177.143 176.300 0.012 0.000 0.827 178 R CA 2.149 58.258 56.100 0.015 0.000 0.640 178 R CB -1.299 29.011 30.300 0.016 0.000 0.715 178 R HN 1.029 nan 8.270 nan 0.000 0.405 190 A N 1.863 124.684 122.820 0.001 0.000 2.688 190 A HA 0.382 4.745 4.320 0.072 0.000 0.230 190 A C 0.933 178.525 177.584 0.014 0.000 1.171 190 A CA 0.585 52.624 52.037 0.004 0.000 0.913 190 A CB -0.534 18.464 19.000 -0.003 0.000 1.033 190 A HN 1.805 nan 8.150 nan 0.000 0.514 191 V N -1.360 118.567 119.914 0.021 0.000 2.904 191 V HA 0.669 4.833 4.120 0.072 0.000 0.305 191 V C -2.163 173.956 176.094 0.041 0.000 1.067 191 V CA -1.985 60.335 62.300 0.034 0.000 1.044 191 V CB 0.949 32.797 31.823 0.041 0.000 1.050 191 V HN 0.858 nan 8.190 nan 0.000 0.475 192 P HA 0.112 nan 4.420 nan 0.000 0.274 192 P C 0.653 178.006 177.300 0.088 0.000 1.237 192 P CA -0.391 62.745 63.100 0.060 0.000 0.793 192 P CB 1.181 32.919 31.700 0.063 0.000 0.977 193 L N 2.786 124.062 121.223 0.088 0.000 2.012 193 L HA -0.234 4.149 4.340 0.072 0.000 0.210 193 L C 2.566 179.579 176.870 0.238 0.000 1.073 193 L CA 2.766 57.685 54.840 0.132 0.000 0.748 193 L CB -1.660 40.438 42.059 0.065 0.000 0.891 193 L HN 0.492 nan 8.230 nan 0.000 0.431 194 S N -0.969 114.834 115.700 0.172 0.000 2.380 194 S HA -0.199 4.314 4.470 0.072 0.000 0.229 194 S C 1.151 175.856 174.600 0.175 0.000 1.043 194 S CA 1.354 59.661 58.200 0.179 0.000 1.038 194 S CB -0.813 62.464 63.200 0.128 0.000 0.872 194 S HN 0.579 nan 8.310 nan 0.000 0.456 195 E N 1.423 121.706 120.200 0.139 0.000 2.325 195 E HA 0.068 4.462 4.350 0.072 0.000 0.295 195 E C 0.653 177.212 176.600 -0.068 0.000 1.461 195 E CA -0.232 56.225 56.400 0.095 0.000 1.698 195 E CB -0.376 29.399 29.700 0.125 0.000 1.496 195 E HN 0.914 nan 8.360 nan 0.000 0.474 196 W N -0.024 121.094 121.300 -0.303 0.000 2.588 196 W HA 0.157 4.872 4.660 0.092 0.000 0.277 196 W C -1.485 174.810 176.519 -0.374 0.000 1.221 196 W CA 0.126 57.305 57.345 -0.277 0.000 1.355 196 W CB -1.422 27.934 29.460 -0.173 0.000 1.083 196 W HN 0.052 nan 8.180 nan 0.000 0.581 197 P HA -0.200 nan 4.420 nan 0.000 0.221 197 P C 2.173 179.203 177.300 -0.449 0.000 1.145 197 P CA 3.074 65.612 63.100 -0.938 0.000 0.795 197 P CB -0.293 30.604 31.700 -1.339 0.000 0.775 198 S N -0.626 114.806 115.700 -0.446 0.000 2.462 198 S HA -0.158 4.355 4.470 0.072 0.000 0.243 198 S C 1.542 176.114 174.600 -0.045 0.000 1.003 198 S CA 0.940 59.066 58.200 -0.125 0.000 0.970 198 S CB -0.706 62.476 63.200 -0.031 0.000 0.762 198 S HN 0.053 nan 8.310 nan 0.000 0.510 199 R N 0.432 120.918 120.500 -0.024 0.000 2.577 199 R HA 0.390 4.773 4.340 0.072 0.000 0.344 199 R C -0.991 175.341 176.300 0.053 0.000 1.037 199 R CA 0.004 56.120 56.100 0.026 0.000 1.102 199 R CB 0.930 31.255 30.300 0.042 0.000 1.313 199 R HN 0.323 nan 8.270 nan 0.000 0.561 200 V N 1.317 121.260 119.914 0.048 0.000 2.349 200 V HA 0.190 4.353 4.120 0.072 0.000 0.284 200 V C 0.428 176.552 176.094 0.049 0.000 1.014 200 V CA -0.343 62.009 62.300 0.087 0.000 0.826 200 V CB 2.103 34.041 31.823 0.191 0.000 1.009 200 V HN -0.019 nan 8.190 nan 0.000 0.431 201 E N 2.803 123.032 120.200 0.049 0.000 2.465 201 E HA 0.413 4.806 4.350 0.072 0.000 0.191 201 E C 0.658 177.286 176.600 0.047 0.000 1.053 201 E CA 0.294 56.717 56.400 0.039 0.000 0.869 201 E CB 0.702 30.423 29.700 0.035 0.000 0.977 201 E HN 0.845 nan 8.360 nan 0.000 0.483 202 A N -1.505 121.355 122.820 0.065 0.000 2.312 202 A HA 0.692 5.055 4.320 0.072 0.000 0.310 202 A C 1.322 178.952 177.584 0.077 0.000 1.139 202 A CA -0.131 51.948 52.037 0.070 0.000 0.886 202 A CB 0.721 19.771 19.000 0.084 0.000 1.350 202 A HN 0.151 nan 8.150 nan 0.000 0.479 203 G N -1.516 107.330 108.800 0.076 0.000 2.603 203 G HA2 0.355 4.358 3.960 0.072 0.000 0.214 203 G HA3 0.355 4.358 3.960 0.072 0.000 0.214 203 G C 0.436 175.396 174.900 0.100 0.000 1.140 203 G CA 0.498 45.643 45.100 0.076 0.000 0.800 203 G HN 0.679 nan 8.290 nan 0.000 0.533 204 Q N -1.227 118.646 119.800 0.122 0.000 2.484 204 Q HA 0.725 5.108 4.340 0.072 0.000 0.285 204 Q C -1.094 174.999 176.000 0.156 0.000 1.097 204 Q CA -0.943 54.953 55.803 0.155 0.000 0.802 204 Q CB 2.487 31.349 28.738 0.207 0.000 1.444 204 Q HN 0.155 nan 8.270 nan 0.000 0.429 205 A N 0.490 123.391 122.820 0.134 0.000 2.469 205 A HA 0.839 5.202 4.320 0.072 0.000 0.299 205 A C -1.568 176.032 177.584 0.026 0.000 1.098 205 A CA -0.726 51.333 52.037 0.036 0.000 0.737 205 A CB 2.129 21.066 19.000 -0.106 0.000 1.312 205 A HN 0.424 nan 8.150 nan 0.000 0.414 206 V N 2.056 121.947 119.914 -0.037 0.000 2.525 206 V HA 0.605 4.768 4.120 0.072 0.000 0.299 206 V C -1.567 174.435 176.094 -0.153 0.000 1.034 206 V CA -0.607 61.670 62.300 -0.037 0.000 0.863 206 V CB 1.349 33.189 31.823 0.028 0.000 0.999 206 V HN 0.967 nan 8.190 nan 0.000 0.423 207 L N 7.622 128.733 121.223 -0.187 0.000 2.260 207 L HA 0.628 5.011 4.340 0.072 0.000 0.289 207 L C -0.560 176.235 176.870 -0.124 0.000 1.057 207 L CA 0.341 55.060 54.840 -0.202 0.000 0.811 207 L CB 1.484 43.386 42.059 -0.262 0.000 1.184 207 L HN 0.525 nan 8.230 nan 0.000 0.429 208 V N 7.753 127.600 119.914 -0.112 0.000 2.326 208 V HA 0.399 4.562 4.120 0.072 0.000 0.281 208 V C -2.147 173.932 176.094 -0.026 0.000 1.015 208 V CA -1.567 60.693 62.300 -0.067 0.000 0.823 208 V CB 1.236 33.012 31.823 -0.079 0.000 1.009 208 V HN 0.695 nan 8.190 nan 0.000 0.436 209 P HA 0.130 nan 4.420 nan 0.000 0.271 209 P C -0.464 176.882 177.300 0.076 0.000 1.220 209 P CA -0.153 62.952 63.100 0.009 0.000 0.768 209 P CB 0.301 31.981 31.700 -0.033 0.000 0.848 210 F N 5.357 125.275 119.950 -0.054 0.000 2.606 210 F HA 0.304 4.874 4.527 0.071 0.000 0.347 210 F C -0.934 174.844 175.800 -0.036 0.000 1.207 210 F CA -0.265 57.717 58.000 -0.030 0.000 1.306 210 F CB -0.466 38.531 39.000 -0.004 0.000 1.657 210 F HN 0.073 nan 8.300 nan 0.000 0.606 211 L N 1.311 122.429 121.223 -0.176 0.000 2.388 211 L HA 0.318 4.702 4.340 0.072 0.000 0.264 211 L C 1.379 178.111 176.870 -0.229 0.000 0.998 211 L CA -0.410 54.299 54.840 -0.219 0.000 0.817 211 L CB 1.924 43.872 42.059 -0.186 0.000 1.338 211 L HN 0.326 nan 8.230 nan 0.000 0.414 212 T N -2.122 112.296 114.554 -0.227 0.000 2.904 212 T HA 0.040 4.433 4.350 0.072 0.000 0.267 212 T C 0.471 175.167 174.700 -0.006 0.000 1.059 212 T CA 1.299 63.334 62.100 -0.108 0.000 1.137 212 T CB -0.337 68.507 68.868 -0.040 0.000 0.879 212 T HN 0.700 nan 8.240 nan 0.000 0.467 213 H N -1.430 117.568 119.070 -0.119 0.000 3.003 213 H HA 0.619 5.219 4.556 0.074 0.000 0.327 213 H C -2.250 173.015 175.328 -0.104 0.000 1.353 213 H CA -1.457 54.526 56.048 -0.107 0.000 1.142 213 H CB 1.088 30.778 29.762 -0.120 0.000 1.864 213 H HN 0.148 nan 8.280 nan 0.000 0.529 214 L N 2.000 123.189 121.223 -0.057 0.000 2.343 214 L HA 0.577 4.961 4.340 0.072 0.000 0.278 214 L C 0.570 177.437 176.870 -0.004 0.000 0.996 214 L CA 0.106 54.888 54.840 -0.096 0.000 0.831 214 L CB 1.375 43.387 42.059 -0.078 0.000 1.232 214 L HN 0.989 nan 8.230 nan 0.000 0.413 215 G N 2.888 111.683 108.800 -0.007 0.000 2.667 215 G HA2 0.133 4.136 3.960 0.072 0.000 0.250 215 G HA3 0.133 4.136 3.960 0.072 0.000 0.250 215 G C 0.486 175.302 174.900 -0.141 0.000 1.212 215 G CA -0.317 44.737 45.100 -0.078 0.000 0.874 215 G HN 0.791 nan 8.290 nan 0.000 0.561 216 K N -0.732 119.522 120.400 -0.244 0.000 2.057 216 K HA -0.107 4.256 4.320 0.072 0.000 0.207 216 K C 2.137 178.590 176.600 -0.245 0.000 1.049 216 K CA 1.562 57.686 56.287 -0.271 0.000 0.931 216 K CB -0.125 32.151 32.500 -0.374 0.000 0.714 216 K HN 0.570 nan 8.250 nan 0.000 0.440 217 H N -0.360 118.634 119.070 -0.128 0.000 2.395 217 H HA 0.063 4.661 4.556 0.071 0.000 0.299 217 H C 2.062 177.346 175.328 -0.073 0.000 1.070 217 H CA 1.313 57.308 56.048 -0.089 0.000 1.356 217 H CB -0.074 29.633 29.762 -0.092 0.000 1.401 217 H HN 0.249 nan 8.280 nan 0.000 0.524 218 A N 1.214 124.042 122.820 0.013 0.000 1.968 218 A HA 0.065 4.428 4.320 0.072 0.000 0.217 218 A C 2.606 180.169 177.584 -0.035 0.000 1.169 218 A CA 1.172 53.198 52.037 -0.019 0.000 0.638 218 A CB -0.479 18.489 19.000 -0.053 0.000 0.812 218 A HN 0.401 nan 8.150 nan 0.000 0.446 219 A N -0.158 122.631 122.820 -0.051 0.000 2.014 219 A HA -0.068 4.295 4.320 0.072 0.000 0.218 219 A C 1.833 179.396 177.584 -0.035 0.000 1.163 219 A CA 1.376 53.383 52.037 -0.050 0.000 0.652 219 A CB -0.365 18.598 19.000 -0.062 0.000 0.808 219 A HN 0.611 nan 8.150 nan 0.000 0.449 220 E N -0.306 119.876 120.200 -0.029 0.000 2.077 220 E HA -0.189 4.204 4.350 0.072 0.000 0.193 220 E C 2.273 178.875 176.600 0.003 0.000 0.989 220 E CA 1.151 57.545 56.400 -0.011 0.000 0.800 220 E CB -0.121 29.580 29.700 0.002 0.000 0.746 220 E HN 0.540 nan 8.360 nan 0.000 0.452 221 R N 0.434 120.938 120.500 0.006 0.000 2.073 221 R HA -0.141 4.242 4.340 0.072 0.000 0.234 221 R C 2.362 178.667 176.300 0.008 0.000 1.134 221 R CA 0.920 57.027 56.100 0.010 0.000 0.952 221 R CB -0.465 29.840 30.300 0.009 0.000 0.850 221 R HN 0.117 nan 8.270 nan 0.000 0.433 222 L N 1.177 122.397 121.223 -0.005 0.000 2.137 222 L HA -0.240 4.143 4.340 0.072 0.000 0.213 222 L C 1.653 178.524 176.870 0.002 0.000 1.085 222 L CA 1.876 56.709 54.840 -0.010 0.000 0.760 222 L CB -0.583 41.458 42.059 -0.030 0.000 0.893 222 L HN 0.214 nan 8.230 nan 0.000 0.434 223 Q N -0.824 118.979 119.800 0.005 0.000 2.123 223 Q HA -0.119 4.264 4.340 0.072 0.000 0.196 223 Q C 2.240 178.259 176.000 0.032 0.000 0.958 223 Q CA 1.276 57.088 55.803 0.015 0.000 0.841 223 Q CB -0.220 28.522 28.738 0.007 0.000 0.915 223 Q HN 0.609 nan 8.270 nan 0.000 0.455 224 Q N 0.596 120.414 119.800 0.029 0.000 2.135 224 Q HA -0.113 4.270 4.340 0.072 0.000 0.204 224 Q C 1.961 177.993 176.000 0.054 0.000 0.981 224 Q CA 1.810 57.636 55.803 0.037 0.000 0.856 224 Q CB -0.254 28.502 28.738 0.030 0.000 0.902 224 Q HN 0.395 nan 8.270 nan 0.000 0.425 225 A N 0.315 123.170 122.820 0.058 0.000 1.873 225 A HA -0.131 4.232 4.320 0.072 0.000 0.215 225 A C 1.959 179.621 177.584 0.130 0.000 1.186 225 A CA 1.034 53.122 52.037 0.084 0.000 0.616 225 A CB -0.625 18.418 19.000 0.070 0.000 0.823 225 A HN 0.342 nan 8.150 nan 0.000 0.442 226 L N -0.962 120.334 121.223 0.122 0.000 2.275 226 L HA -0.160 4.223 4.340 0.072 0.000 0.215 226 L C 2.880 179.849 176.870 0.165 0.000 1.119 226 L CA 0.789 55.736 54.840 0.179 0.000 0.790 226 L CB -0.473 41.651 42.059 0.110 0.000 0.919 226 L HN 0.500 nan 8.230 nan 0.000 0.443 227 A N -0.500 122.385 122.820 0.109 0.000 1.861 227 A HA -0.151 4.212 4.320 0.072 0.000 0.212 227 A C 2.120 179.754 177.584 0.084 0.000 1.199 227 A CA 0.596 52.684 52.037 0.085 0.000 0.613 227 A CB -0.340 18.694 19.000 0.057 0.000 0.846 227 A HN 0.310 nan 8.150 nan 0.000 0.446 228 Q N -0.396 119.453 119.800 0.081 0.000 2.368 228 Q HA -0.092 4.291 4.340 0.072 0.000 0.210 228 Q C 2.068 178.133 176.000 0.110 0.000 0.982 228 Q CA 1.191 57.038 55.803 0.074 0.000 0.884 228 Q CB -0.298 28.478 28.738 0.064 0.000 0.933 228 Q HN 0.708 nan 8.270 nan 0.000 0.460 229 A N 0.145 123.056 122.820 0.153 0.000 1.903 229 A HA 0.095 4.458 4.320 0.072 0.000 0.213 229 A C 2.194 179.878 177.584 0.166 0.000 1.185 229 A CA 0.981 53.132 52.037 0.190 0.000 0.628 229 A CB -0.586 18.521 19.000 0.177 0.000 0.830 229 A HN 0.372 nan 8.150 nan 0.000 0.446 230 A N 0.233 123.130 122.820 0.129 0.000 1.902 230 A HA -0.186 4.177 4.320 0.072 0.000 0.217 230 A C 1.887 179.506 177.584 0.059 0.000 1.181 230 A CA 1.742 53.834 52.037 0.093 0.000 0.623 230 A CB -0.564 18.490 19.000 0.090 0.000 0.818 230 A HN 0.625 nan 8.150 nan 0.000 0.443 231 E N -0.476 119.751 120.200 0.045 0.000 2.038 231 E HA -0.193 4.200 4.350 0.072 0.000 0.195 231 E C 2.140 178.712 176.600 -0.047 0.000 1.000 231 E CA 1.331 57.733 56.400 0.003 0.000 0.803 231 E CB -0.193 29.508 29.700 0.002 0.000 0.750 231 E HN 0.527 nan 8.360 nan 0.000 0.448 232 R N -0.416 120.044 120.500 -0.067 0.000 2.316 232 R HA 0.021 4.404 4.340 0.072 0.000 0.202 232 R C -0.063 175.840 176.300 -0.661 0.000 1.029 232 R CA 0.471 56.375 56.100 -0.328 0.000 1.018 232 R CB 0.192 30.282 30.300 -0.351 0.000 0.888 232 R HN 0.115 nan 8.270 nan 0.000 0.471 233 F N -0.861 119.006 119.950 -0.138 0.000 2.883 233 F HA 0.264 4.776 4.527 -0.024 0.000 0.383 233 F C -2.106 173.605 175.800 -0.149 0.000 1.342 233 F CA -1.669 56.227 58.000 -0.174 0.000 1.150 233 F CB 1.672 40.495 39.000 -0.295 0.000 2.189 233 F HN -0.178 nan 8.300 nan 0.000 0.593 234 P HA -0.007 nan 4.420 nan 0.000 0.249 234 P C 0.593 177.899 177.300 0.010 0.000 1.229 234 P CA 0.760 63.868 63.100 0.012 0.000 0.788 234 P CB 0.372 32.070 31.700 -0.004 0.000 1.072 235 Q N -0.437 119.368 119.800 0.009 0.000 2.201 235 Q HA 0.379 4.762 4.340 0.072 0.000 0.236 235 Q C 0.468 176.467 176.000 -0.002 0.000 0.857 235 Q CA -0.439 55.368 55.803 0.007 0.000 1.025 235 Q CB 0.426 29.166 28.738 0.004 0.000 1.124 235 Q HN 0.122 nan 8.270 nan 0.000 0.473 236 A N 2.359 125.166 122.820 -0.023 0.000 2.304 236 A HA 0.587 4.950 4.320 0.072 0.000 0.271 236 A C -1.895 175.685 177.584 -0.006 0.000 1.091 236 A CA -0.918 51.062 52.037 -0.096 0.000 0.812 236 A CB -0.169 18.646 19.000 -0.308 0.000 1.056 236 A HN 0.044 nan 8.150 nan 0.000 0.489 237 P HA 0.319 nan 4.420 nan 0.000 0.274 237 P C -2.689 174.707 177.300 0.160 0.000 1.256 237 P CA -1.337 61.832 63.100 0.115 0.000 0.795 237 P CB -0.815 30.973 31.700 0.146 0.000 1.038 238 P HA 0.024 nan 4.420 nan 0.000 0.261 238 P C -0.595 176.660 177.300 -0.075 0.000 1.183 238 P CA 0.286 63.367 63.100 -0.031 0.000 0.761 238 P CB 0.038 31.695 31.700 -0.071 0.000 0.785 239 L N 5.322 126.459 121.223 -0.143 0.000 2.296 239 L HA 0.321 4.704 4.340 0.072 0.000 0.286 239 L C -0.140 176.504 176.870 -0.376 0.000 1.023 239 L CA -0.339 54.349 54.840 -0.253 0.000 0.812 239 L CB 0.453 42.340 42.059 -0.288 0.000 1.223 239 L HN 0.363 nan 8.230 nan 0.000 0.421 240 H N 5.417 124.434 119.070 -0.088 0.000 2.685 240 H HA 0.297 4.897 4.556 0.074 0.000 0.286 240 H C -0.661 174.610 175.328 -0.095 0.000 1.102 240 H CA -0.563 55.449 56.048 -0.061 0.000 1.254 240 H CB 1.025 30.771 29.762 -0.027 0.000 1.397 240 H HN 0.332 nan 8.280 nan 0.000 0.473 241 V N 3.660 123.560 119.914 -0.023 0.000 2.470 241 V HA 0.193 4.356 4.120 0.072 0.000 0.276 241 V C 1.232 177.316 176.094 -0.015 0.000 1.040 241 V CA -0.396 61.870 62.300 -0.056 0.000 1.008 241 V CB 0.965 32.747 31.823 -0.069 0.000 0.990 241 V HN 0.827 nan 8.190 nan 0.000 0.477 242 G N 3.359 112.144 108.800 -0.026 0.000 2.477 242 G HA2 0.603 4.606 3.960 0.072 0.000 0.304 242 G HA3 0.603 4.606 3.960 0.072 0.000 0.304 242 G C 0.265 175.156 174.900 -0.015 0.000 1.175 242 G CA -0.139 44.956 45.100 -0.008 0.000 0.907 242 G HN 0.987 nan 8.290 nan 0.000 0.509 243 G N -0.576 108.225 108.800 0.001 0.000 2.528 243 G HA2 0.550 4.553 3.960 0.072 0.000 0.289 243 G HA3 0.550 4.553 3.960 0.072 0.000 0.289 243 G C -2.590 172.308 174.900 -0.002 0.000 1.192 243 G CA -1.076 44.021 45.100 -0.005 0.000 0.921 243 G HN 0.473 nan 8.290 nan 0.000 0.512 244 P HA -0.007 nan 4.420 nan 0.000 0.265 244 P C 1.088 178.386 177.300 -0.005 0.000 1.187 244 P CA -0.365 62.719 63.100 -0.027 0.000 0.766 244 P CB 1.185 32.856 31.700 -0.049 0.000 0.820 245 V N 3.924 123.830 119.914 -0.012 0.000 2.720 245 V HA -0.135 4.028 4.120 0.072 0.000 0.256 245 V C 2.107 178.200 176.094 -0.002 0.000 1.082 245 V CA 2.623 64.928 62.300 0.008 0.000 1.101 245 V CB -1.404 30.432 31.823 0.022 0.000 0.693 245 V HN 0.789 nan 8.190 nan 0.000 0.479 246 G N -0.198 108.568 108.800 -0.057 0.000 2.485 246 G HA2 -0.222 3.781 3.960 0.072 0.000 0.221 246 G HA3 -0.222 3.781 3.960 0.072 0.000 0.221 246 G C 1.251 176.149 174.900 -0.003 0.000 1.115 246 G CA 0.874 45.944 45.100 -0.050 0.000 0.751 246 G HN 0.603 nan 8.290 nan 0.000 0.567 247 E N 0.122 120.331 120.200 0.015 0.000 2.489 247 E HA 0.025 4.418 4.350 0.072 0.000 0.193 247 E C 0.303 176.919 176.600 0.027 0.000 1.057 247 E CA -0.181 56.229 56.400 0.015 0.000 0.866 247 E CB -0.068 29.636 29.700 0.006 0.000 0.916 247 E HN 0.500 nan 8.360 nan 0.000 0.500 248 H N 1.542 120.599 119.070 -0.020 0.000 2.548 248 H HA 0.101 4.700 4.556 0.072 0.000 0.331 248 H C -1.668 173.653 175.328 -0.012 0.000 1.093 248 H CA -1.913 54.127 56.048 -0.013 0.000 1.367 248 H CB 1.846 31.602 29.762 -0.009 0.000 1.455 248 H HN -0.258 nan 8.280 nan 0.000 0.519 249 P HA -0.147 nan 4.420 nan 0.000 0.218 249 P C 1.161 178.515 177.300 0.091 0.000 1.146 249 P CA 1.647 64.694 63.100 -0.088 0.000 0.813 249 P CB 0.015 31.596 31.700 -0.200 0.000 0.778 250 A N 0.084 123.123 122.820 0.366 0.000 1.948 250 A HA -0.220 4.143 4.320 0.072 0.000 0.220 250 A C 2.275 179.920 177.584 0.102 0.000 1.177 250 A CA 2.335 54.516 52.037 0.240 0.000 0.636 250 A CB -1.920 17.194 19.000 0.190 0.000 0.815 250 A HN 0.231 nan 8.150 nan 0.000 0.449 251 V N -2.348 117.621 119.914 0.093 0.000 2.568 251 V HA -0.160 4.003 4.120 0.072 0.000 0.253 251 V C 2.431 178.526 176.094 0.001 0.000 1.072 251 V CA 1.969 64.284 62.300 0.026 0.000 1.084 251 V CB -1.655 30.174 31.823 0.010 0.000 0.676 251 V HN 0.564 nan 8.190 nan 0.000 0.469 252 A N 0.112 122.939 122.820 0.011 0.000 1.933 252 A HA -0.145 4.218 4.320 0.072 0.000 0.218 252 A C 2.223 179.800 177.584 -0.013 0.000 1.175 252 A CA 1.707 53.742 52.037 -0.004 0.000 0.628 252 A CB -0.508 18.494 19.000 0.004 0.000 0.814 252 A HN 0.589 nan 8.150 nan 0.000 0.444 253 E N 0.033 120.231 120.200 -0.003 0.000 2.072 253 E HA -0.114 4.279 4.350 0.072 0.000 0.191 253 E C 2.255 178.822 176.600 -0.055 0.000 0.985 253 E CA 1.384 57.777 56.400 -0.013 0.000 0.801 253 E CB -0.612 29.091 29.700 0.006 0.000 0.750 253 E HN 0.439 nan 8.360 nan 0.000 0.452 254 V N 1.310 121.185 119.914 -0.064 0.000 2.287 254 V HA -0.251 3.912 4.120 0.072 0.000 0.248 254 V C 2.660 178.617 176.094 -0.228 0.000 1.053 254 V CA 1.581 63.791 62.300 -0.151 0.000 1.027 254 V CB -0.951 30.829 31.823 -0.071 0.000 0.646 254 V HN 0.040 nan 8.190 nan 0.000 0.447 255 V N -0.096 119.740 119.914 -0.129 0.000 2.282 255 V HA -0.296 3.867 4.120 0.072 0.000 0.249 255 V C 2.392 178.416 176.094 -0.118 0.000 1.057 255 V CA 2.283 64.510 62.300 -0.121 0.000 1.032 255 V CB -0.623 31.151 31.823 -0.082 0.000 0.645 255 V HN 0.454 nan 8.190 nan 0.000 0.447 256 L N -0.194 120.985 121.223 -0.074 0.000 2.127 256 L HA -0.179 4.204 4.340 0.072 0.000 0.211 256 L C 2.608 179.456 176.870 -0.037 0.000 1.089 256 L CA 1.539 56.370 54.840 -0.016 0.000 0.757 256 L CB -0.668 41.403 42.059 0.021 0.000 0.899 256 L HN 0.384 nan 8.230 nan 0.000 0.434 257 A N -0.319 122.420 122.820 -0.135 0.000 1.898 257 A HA -0.072 4.291 4.320 0.072 0.000 0.214 257 A C 2.219 179.679 177.584 -0.207 0.000 1.183 257 A CA 0.841 52.782 52.037 -0.161 0.000 0.622 257 A CB -0.517 18.341 19.000 -0.237 0.000 0.824 257 A HN 0.302 nan 8.150 nan 0.000 0.444 258 L N -0.524 120.486 121.223 -0.354 0.000 2.079 258 L HA -0.228 4.155 4.340 0.072 0.000 0.210 258 L C 3.023 179.851 176.870 -0.070 0.000 1.081 258 L CA 1.144 55.875 54.840 -0.181 0.000 0.752 258 L CB -0.348 41.608 42.059 -0.172 0.000 0.896 258 L HN 0.448 nan 8.230 nan 0.000 0.433 259 A N -0.551 122.235 122.820 -0.057 0.000 1.969 259 A HA -0.077 4.286 4.320 0.072 0.000 0.218 259 A C 2.437 180.082 177.584 0.101 0.000 1.169 259 A CA 1.474 53.519 52.037 0.014 0.000 0.635 259 A CB -0.536 18.464 19.000 -0.000 0.000 0.810 259 A HN 0.403 nan 8.150 nan 0.000 0.445 260 A N -0.235 122.633 122.820 0.081 0.000 1.970 260 A HA 0.022 4.385 4.320 0.072 0.000 0.216 260 A C 1.195 178.808 177.584 0.049 0.000 1.170 260 A CA 0.738 52.815 52.037 0.066 0.000 0.645 260 A CB -0.446 18.582 19.000 0.047 0.000 0.816 260 A HN 0.591 nan 8.150 nan 0.000 0.447 261 E N 0.112 120.342 120.200 0.050 0.000 2.672 261 E HA 0.176 4.569 4.350 0.072 0.000 0.234 261 E C 1.033 177.656 176.600 0.039 0.000 1.162 261 E CA 0.539 56.975 56.400 0.060 0.000 0.952 261 E CB -0.856 28.897 29.700 0.088 0.000 0.987 261 E HN 0.742 nan 8.360 nan 0.000 0.507 262 G N 4.402 113.222 108.800 0.033 0.000 2.176 262 G HA2 -0.355 3.648 3.960 0.072 0.000 0.232 262 G HA3 -0.355 3.648 3.960 0.072 0.000 0.232 262 G C 0.261 175.173 174.900 0.020 0.000 0.986 262 G CA 0.081 45.195 45.100 0.023 0.000 0.643 262 G HN 0.692 nan 8.290 nan 0.000 0.522 263 R N 1.155 121.669 120.500 0.023 0.000 2.507 263 R HA 0.256 4.640 4.340 0.072 0.000 0.341 263 R C 1.106 177.411 176.300 0.007 0.000 0.960 263 R CA 0.897 57.008 56.100 0.019 0.000 1.032 263 R CB 0.099 30.413 30.300 0.022 0.000 0.933 263 R HN 0.502 nan 8.270 nan 0.000 0.418 264 E N 1.813 122.018 120.200 0.007 0.000 2.130 264 E HA -0.176 4.217 4.350 0.072 0.000 0.196 264 E C -0.290 176.308 176.600 -0.002 0.000 0.998 264 E CA 1.355 57.758 56.400 0.004 0.000 0.806 264 E CB 0.070 29.774 29.700 0.006 0.000 0.738 264 E HN 0.705 nan 8.360 nan 0.000 0.459 265 D N -2.312 118.084 120.400 -0.007 0.000 2.671 265 D HA 0.081 4.764 4.640 0.072 0.000 0.273 265 D C -0.019 176.266 176.300 -0.024 0.000 1.264 265 D CA -0.465 53.527 54.000 -0.013 0.000 0.788 265 D CB 0.768 41.562 40.800 -0.010 0.000 1.324 265 D HN -0.144 nan 8.370 nan 0.000 0.424 266 E N -0.207 119.976 120.200 -0.028 0.000 2.208 266 E HA -0.002 4.391 4.350 0.072 0.000 0.193 266 E C 0.256 176.827 176.600 -0.049 0.000 0.988 266 E CA 0.555 56.930 56.400 -0.041 0.000 0.828 266 E CB 0.441 30.119 29.700 -0.036 0.000 0.763 266 E HN -0.009 nan 8.360 nan 0.000 0.478 267 R N 1.261 121.738 120.500 -0.038 0.000 2.340 267 R HA 0.237 4.620 4.340 0.072 0.000 0.300 267 R C 0.399 176.671 176.300 -0.045 0.000 1.069 267 R CA -0.244 55.831 56.100 -0.042 0.000 0.984 267 R CB 1.144 31.427 30.300 -0.028 0.000 1.003 267 R HN 0.041 nan 8.270 nan 0.000 0.459 268 G N 1.218 109.979 108.800 -0.064 0.000 2.525 268 G HA2 0.396 4.399 3.960 0.072 0.000 0.287 268 G HA3 0.396 4.399 3.960 0.072 0.000 0.287 268 G C 0.081 174.956 174.900 -0.041 0.000 1.350 268 G CA -0.374 44.687 45.100 -0.066 0.000 1.039 268 G HN 0.616 nan 8.290 nan 0.000 0.513 269 G N -1.563 107.222 108.800 -0.025 0.000 2.574 269 G HA2 0.500 4.503 3.960 0.072 0.000 0.248 269 G HA3 0.500 4.503 3.960 0.072 0.000 0.248 269 G C -0.903 174.003 174.900 0.010 0.000 1.422 269 G CA -0.396 44.709 45.100 0.009 0.000 1.051 269 G HN 0.465 nan 8.290 nan 0.000 0.560 270 D N -0.748 119.687 120.400 0.058 0.000 2.392 270 D HA 0.342 5.025 4.640 0.072 0.000 0.246 270 D C 0.524 176.935 176.300 0.184 0.000 1.013 270 D CA -0.369 53.681 54.000 0.082 0.000 0.993 270 D CB 2.068 42.904 40.800 0.060 0.000 1.219 270 D HN 0.518 nan 8.370 nan 0.000 0.538 271 I N -1.330 119.365 120.570 0.208 0.000 2.754 271 I HA 0.111 4.324 4.170 0.072 0.000 0.285 271 I C 0.172 176.349 176.117 0.101 0.000 1.166 271 I CA -0.053 61.379 61.300 0.221 0.000 1.417 271 I CB 0.676 38.784 38.000 0.181 0.000 1.382 271 I HN 0.049 nan 8.210 nan 0.000 0.588 272 D N 5.909 126.331 120.400 0.037 0.000 2.339 272 D HA 0.040 4.723 4.640 0.072 0.000 0.241 272 D C 0.666 177.011 176.300 0.074 0.000 1.183 272 D CA -0.209 53.813 54.000 0.037 0.000 0.859 272 D CB 1.342 42.135 40.800 -0.012 0.000 1.067 272 D HN 0.647 nan 8.370 nan 0.000 0.484 273 Q N 2.821 122.659 119.800 0.064 0.000 2.167 273 Q HA -0.111 4.272 4.340 0.072 0.000 0.202 273 Q C 1.758 177.787 176.000 0.048 0.000 0.970 273 Q CA 0.994 56.830 55.803 0.054 0.000 0.855 273 Q CB -0.079 28.682 28.738 0.037 0.000 0.911 273 Q HN 0.669 nan 8.270 nan 0.000 0.438 274 A N 0.930 123.788 122.820 0.064 0.000 1.873 274 A HA -0.221 4.142 4.320 0.072 0.000 0.215 274 A C 2.034 179.656 177.584 0.063 0.000 1.186 274 A CA 1.542 53.617 52.037 0.064 0.000 0.616 274 A CB -0.939 18.112 19.000 0.084 0.000 0.823 274 A HN 0.438 nan 8.150 nan 0.000 0.442 275 H N 0.402 119.488 119.070 0.026 0.000 2.289 275 H HA -0.205 4.394 4.556 0.072 0.000 0.294 275 H C 2.295 177.681 175.328 0.096 0.000 1.095 275 H CA 2.272 58.370 56.048 0.082 0.000 1.256 275 H CB -0.367 29.438 29.762 0.070 0.000 1.359 275 H HN 0.392 nan 8.280 nan 0.000 0.487 276 A N 0.799 123.724 122.820 0.176 0.000 1.908 276 A HA -0.204 4.159 4.320 0.072 0.000 0.218 276 A C 2.427 179.973 177.584 -0.064 0.000 1.181 276 A CA 1.896 53.994 52.037 0.101 0.000 0.627 276 A CB -0.629 18.424 19.000 0.088 0.000 0.818 276 A HN 0.635 nan 8.150 nan 0.000 0.445 277 E N -0.572 119.529 120.200 -0.166 0.000 2.110 277 E HA -0.079 4.314 4.350 0.072 0.000 0.193 277 E C 2.304 178.406 176.600 -0.831 0.000 0.988 277 E CA 0.915 57.103 56.400 -0.353 0.000 0.804 277 E CB -0.253 29.302 29.700 -0.243 0.000 0.745 277 E HN 0.626 nan 8.360 nan 0.000 0.458 278 A N 0.185 122.406 122.820 -0.998 0.000 1.902 278 A HA -0.182 4.181 4.320 0.072 0.000 0.217 278 A C 1.692 178.740 177.584 -0.894 0.000 1.181 278 A CA 1.239 52.494 52.037 -1.303 0.000 0.623 278 A CB -0.939 17.585 19.000 -0.792 0.000 0.818 278 A HN 0.392 nan 8.150 nan 0.000 0.443 279 W N -0.542 120.497 121.300 -0.435 0.000 2.467 279 W HA 0.151 4.854 4.660 0.072 0.000 0.275 279 W C 2.661 179.074 176.519 -0.178 0.000 1.239 279 W CA 0.865 58.056 57.345 -0.258 0.000 1.266 279 W CB -0.005 29.296 29.460 -0.267 0.000 1.112 279 W HN 0.389 nan 8.180 nan 0.000 0.576 280 A N 0.430 123.215 122.820 -0.059 0.000 1.898 280 A HA -0.042 4.321 4.320 0.072 0.000 0.216 280 A C 2.086 179.627 177.584 -0.072 0.000 1.181 280 A CA 2.074 54.088 52.037 -0.039 0.000 0.620 280 A CB -1.227 17.735 19.000 -0.064 0.000 0.819 280 A HN 0.155 nan 8.150 nan 0.000 0.442 281 A N -0.162 122.494 122.820 -0.274 0.000 1.908 281 A HA -0.112 4.251 4.320 0.072 0.000 0.218 281 A C 2.156 179.777 177.584 0.061 0.000 1.181 281 A CA 1.653 53.539 52.037 -0.252 0.000 0.627 281 A CB -0.599 17.977 19.000 -0.706 0.000 0.818 281 A HN 0.521 nan 8.150 nan 0.000 0.445 282 L N -0.084 121.177 121.223 0.063 0.000 2.012 282 L HA -0.189 4.194 4.340 0.072 0.000 0.210 282 L C 2.530 179.474 176.870 0.123 0.000 1.073 282 L CA 2.197 57.142 54.840 0.174 0.000 0.748 282 L CB -1.004 41.042 42.059 -0.022 0.000 0.891 282 L HN 0.454 nan 8.230 nan 0.000 0.431 283 R N -1.225 119.340 120.500 0.109 0.000 2.096 283 R HA -0.243 4.140 4.340 0.072 0.000 0.240 283 R C 2.322 178.699 176.300 0.128 0.000 1.139 283 R CA 1.581 57.726 56.100 0.074 0.000 0.952 283 R CB -0.844 29.521 30.300 0.108 0.000 0.854 283 R HN 0.564 nan 8.270 nan 0.000 0.436 284 H N 1.318 120.430 119.070 0.071 0.000 2.289 284 H HA -0.158 4.441 4.556 0.072 0.000 0.296 284 H C 2.130 177.518 175.328 0.100 0.000 1.091 284 H CA 2.058 58.158 56.048 0.085 0.000 1.274 284 H CB -0.242 29.562 29.762 0.070 0.000 1.364 284 H HN 0.208 nan 8.280 nan 0.000 0.490 285 L N 0.345 121.730 121.223 0.269 0.000 2.079 285 L HA -0.169 4.214 4.340 0.072 0.000 0.210 285 L C 2.692 179.620 176.870 0.098 0.000 1.081 285 L CA 1.617 56.568 54.840 0.185 0.000 0.752 285 L CB -0.562 41.604 42.059 0.179 0.000 0.896 285 L HN 0.327 nan 8.230 nan 0.000 0.433 286 A N -0.298 122.563 122.820 0.069 0.000 1.898 286 A HA -0.229 4.134 4.320 0.072 0.000 0.216 286 A C 2.031 179.746 177.584 0.219 0.000 1.181 286 A CA 1.674 53.737 52.037 0.043 0.000 0.620 286 A CB -0.569 18.267 19.000 -0.274 0.000 0.819 286 A HN 0.585 nan 8.150 nan 0.000 0.442 287 E N -0.412 119.921 120.200 0.222 0.000 2.204 287 E HA -0.170 4.224 4.350 0.072 0.000 0.195 287 E C 2.178 178.831 176.600 0.088 0.000 0.990 287 E CA 1.028 57.558 56.400 0.216 0.000 0.821 287 E CB -0.111 29.664 29.700 0.125 0.000 0.750 287 E HN 0.541 nan 8.360 nan 0.000 0.477 288 R N -0.070 120.448 120.500 0.030 0.000 2.193 288 R HA 0.075 4.458 4.340 0.072 0.000 0.213 288 R C 0.722 177.056 176.300 0.057 0.000 1.055 288 R CA 0.502 56.612 56.100 0.018 0.000 0.995 288 R CB 0.039 30.344 30.300 0.009 0.000 0.893 288 R HN 0.122 nan 8.270 nan 0.000 0.459 289 G N 0.110 108.966 108.800 0.093 0.000 2.850 289 G HA2 0.037 4.040 3.960 0.072 0.000 0.686 289 G HA3 0.037 4.040 3.960 0.072 0.000 0.686 289 G C -0.222 174.716 174.900 0.063 0.000 1.164 289 G CA -0.438 44.717 45.100 0.091 0.000 0.826 289 G HN 0.565 nan 8.290 nan 0.000 0.586 290 G N 0.768 109.601 108.800 0.054 0.000 2.554 290 G HA2 0.856 4.859 3.960 0.072 0.000 0.306 290 G HA3 0.856 4.859 3.960 0.072 0.000 0.306 290 G C -1.033 173.876 174.900 0.015 0.000 1.320 290 G CA -0.687 44.430 45.100 0.029 0.000 0.800 290 G HN 0.889 nan 8.290 nan 0.000 0.481 291 R N -0.912 119.581 120.500 -0.012 0.000 2.686 291 R HA 0.706 5.089 4.340 0.072 0.000 0.283 291 R C -1.289 174.971 176.300 -0.066 0.000 0.978 291 R CA -0.710 55.377 56.100 -0.022 0.000 0.897 291 R CB 2.401 32.689 30.300 -0.020 0.000 1.192 291 R HN 0.327 nan 8.270 nan 0.000 0.457 292 L N 2.393 123.582 121.223 -0.056 0.000 2.504 292 L HA 0.450 4.833 4.340 0.072 0.000 0.265 292 L C 0.701 177.508 176.870 -0.104 0.000 0.975 292 L CA -0.478 54.289 54.840 -0.120 0.000 0.864 292 L CB 1.828 43.834 42.059 -0.087 0.000 1.212 292 L HN 0.994 nan 8.230 nan 0.000 0.416 293 G N 2.633 111.322 108.800 -0.184 0.000 2.591 293 G HA2 -0.306 3.697 3.960 0.072 0.000 0.298 293 G HA3 -0.306 3.697 3.960 0.072 0.000 0.298 293 G C 0.429 175.311 174.900 -0.030 0.000 1.195 293 G CA 0.511 45.510 45.100 -0.168 0.000 0.989 293 G HN 0.693 nan 8.290 nan 0.000 0.551 294 E N -0.108 120.128 120.200 0.059 0.000 2.419 294 E HA 0.406 4.799 4.350 0.072 0.000 0.190 294 E C -0.086 176.408 176.600 -0.178 0.000 1.040 294 E CA -0.120 56.215 56.400 -0.109 0.000 0.900 294 E CB 0.736 30.304 29.700 -0.221 0.000 1.054 294 E HN 0.256 nan 8.360 nan 0.000 0.462 295 V N 1.785 121.718 119.914 0.032 0.000 2.555 295 V HA 0.262 4.425 4.120 0.072 0.000 0.302 295 V C -0.543 175.573 176.094 0.037 0.000 1.038 295 V CA -0.949 61.392 62.300 0.069 0.000 0.887 295 V CB 1.908 33.875 31.823 0.241 0.000 0.991 295 V HN 0.104 nan 8.190 nan 0.000 0.434 296 L N 5.499 126.729 121.223 0.011 0.000 2.282 296 L HA 0.648 5.031 4.340 0.072 0.000 0.288 296 L C -0.925 175.976 176.870 0.053 0.000 1.033 296 L CA -0.008 54.843 54.840 0.019 0.000 0.807 296 L CB 1.246 43.302 42.059 -0.005 0.000 1.209 296 L HN 0.528 nan 8.230 nan 0.000 0.423 297 L N 4.753 126.019 121.223 0.072 0.000 2.296 297 L HA 0.690 5.073 4.340 0.072 0.000 0.286 297 L C -0.336 176.618 176.870 0.139 0.000 1.023 297 L CA 0.256 55.165 54.840 0.114 0.000 0.812 297 L CB 1.934 44.050 42.059 0.095 0.000 1.223 297 L HN 0.690 nan 8.230 nan 0.000 0.421 298 T N 4.620 119.290 114.554 0.193 0.000 2.921 298 T HA 0.461 4.854 4.350 0.072 0.000 0.297 298 T C -2.710 172.142 174.700 0.254 0.000 1.013 298 T CA -1.240 60.968 62.100 0.181 0.000 0.990 298 T CB 2.040 70.986 68.868 0.130 0.000 1.023 298 T HN 0.178 nan 8.240 nan 0.000 0.447 299 P HA 0.176 nan 4.420 nan 0.000 0.268 299 P C -1.350 175.986 177.300 0.059 0.000 1.205 299 P CA -0.204 62.919 63.100 0.039 0.000 0.771 299 P CB 0.236 31.924 31.700 -0.019 0.000 0.858 300 Y N 3.435 123.643 120.300 -0.153 0.000 2.749 300 Y HA 0.469 5.062 4.550 0.072 0.000 0.343 300 Y C 1.012 176.838 175.900 -0.125 0.000 1.015 300 Y CA 0.461 58.506 58.100 -0.092 0.000 1.270 300 Y CB 0.298 38.734 38.460 -0.040 0.000 1.097 300 Y HN 0.803 nan 8.280 nan 0.000 0.571 301 G N 3.067 111.676 108.800 -0.319 0.000 2.591 301 G HA2 -0.369 3.634 3.960 0.072 0.000 0.298 301 G HA3 -0.369 3.634 3.960 0.072 0.000 0.298 301 G C 1.088 175.873 174.900 -0.192 0.000 1.195 301 G CA 0.130 45.084 45.100 -0.243 0.000 0.989 301 G HN 1.336 nan 8.290 nan 0.000 0.551 302 G N -0.052 108.657 108.800 -0.151 0.000 3.181 302 G HA2 0.517 4.521 3.960 0.072 0.000 0.219 302 G HA3 0.517 4.521 3.960 0.072 0.000 0.219 302 G C 0.688 175.439 174.900 -0.249 0.000 1.182 302 G CA 0.759 45.757 45.100 -0.169 0.000 0.791 302 G HN 0.620 nan 8.290 nan 0.000 0.537 303 L N -1.290 119.789 121.223 -0.240 0.000 2.341 303 L HA 0.711 5.094 4.340 0.072 0.000 0.267 303 L C -0.788 175.783 176.870 -0.498 0.000 1.022 303 L CA -1.234 53.489 54.840 -0.196 0.000 0.844 303 L CB 1.410 43.524 42.059 0.092 0.000 1.436 303 L HN -0.092 nan 8.230 nan 0.000 0.483 304 F N -0.588 119.446 119.950 0.140 0.000 2.540 304 F HA 0.391 4.961 4.527 0.072 0.000 0.317 304 F C 0.022 175.877 175.800 0.092 0.000 1.104 304 F CA -0.594 57.482 58.000 0.127 0.000 0.913 304 F CB 1.778 40.841 39.000 0.106 0.000 1.170 304 F HN 0.303 nan 8.300 nan 0.000 0.450 305 E N 3.054 123.399 120.200 0.243 0.000 2.175 305 E HA 0.560 4.953 4.350 0.072 0.000 0.278 305 E C -1.677 175.009 176.600 0.144 0.000 0.969 305 E CA -0.727 55.736 56.400 0.105 0.000 0.796 305 E CB 1.231 30.934 29.700 0.005 0.000 1.104 305 E HN 0.487 nan 8.360 nan 0.000 0.395 306 L N 4.742 126.055 121.223 0.150 0.000 2.329 306 L HA 0.571 4.954 4.340 0.072 0.000 0.279 306 L C 0.019 176.900 176.870 0.018 0.000 1.014 306 L CA -0.367 54.580 54.840 0.177 0.000 0.814 306 L CB 1.573 43.835 42.059 0.339 0.000 1.257 306 L HN 0.586 nan 8.230 nan 0.000 0.424 307 R N -0.070 120.296 120.500 -0.223 0.000 2.795 307 R HA 0.517 4.900 4.340 0.072 0.000 0.268 307 R C -0.810 175.138 176.300 -0.586 0.000 1.041 307 R CA -1.013 54.617 56.100 -0.784 0.000 0.927 307 R CB 0.855 30.860 30.300 -0.491 0.000 1.235 307 R HN 0.443 nan 8.270 nan 0.000 0.463 308 H N 1.006 119.585 119.070 -0.818 0.000 2.848 308 H HA -0.004 4.595 4.556 0.072 0.000 0.341 308 H C 0.624 175.843 175.328 -0.182 0.000 1.060 308 H CA 1.466 57.333 56.048 -0.301 0.000 1.444 308 H CB 1.535 31.148 29.762 -0.248 0.000 1.446 308 H HN 0.813 nan 8.280 nan 0.000 0.583 309 T N 2.124 116.693 114.554 0.025 0.000 2.833 309 T HA -0.130 4.263 4.350 0.072 0.000 0.269 309 T C 2.387 177.181 174.700 0.157 0.000 1.054 309 T CA 0.992 63.139 62.100 0.077 0.000 1.135 309 T CB -0.168 68.718 68.868 0.029 0.000 0.869 309 T HN 0.550 nan 8.240 nan 0.000 0.466 310 L N 0.896 122.335 121.223 0.360 0.000 2.265 310 L HA -0.024 4.359 4.340 0.072 0.000 0.215 310 L C 1.712 178.569 176.870 -0.022 0.000 1.117 310 L CA 1.074 55.956 54.840 0.071 0.000 0.782 310 L CB -0.404 41.592 42.059 -0.106 0.000 0.914 310 L HN 0.212 nan 8.230 nan 0.000 0.441 311 D N -0.326 120.055 120.400 -0.031 0.000 2.325 311 D HA -0.012 4.672 4.640 0.072 0.000 0.225 311 D C 0.626 176.881 176.300 -0.075 0.000 1.096 311 D CA 0.099 54.042 54.000 -0.095 0.000 0.844 311 D CB 0.063 40.754 40.800 -0.181 0.000 0.925 311 D HN 0.327 nan 8.370 nan 0.000 0.513 312 E N -0.014 120.163 120.200 -0.039 0.000 2.465 312 E HA 0.148 4.541 4.350 0.072 0.000 0.260 312 E C 1.176 177.760 176.600 -0.026 0.000 0.980 312 E CA 0.755 57.138 56.400 -0.028 0.000 0.927 312 E CB 0.256 29.951 29.700 -0.009 0.000 0.934 312 E HN 0.258 nan 8.360 nan 0.000 0.459 313 G N 4.058 112.846 108.800 -0.021 0.000 2.205 313 G HA2 -0.363 3.640 3.960 0.072 0.000 0.261 313 G HA3 -0.363 3.640 3.960 0.072 0.000 0.261 313 G C 0.376 175.264 174.900 -0.020 0.000 0.980 313 G CA 0.449 45.541 45.100 -0.015 0.000 0.632 313 G HN 0.615 nan 8.290 nan 0.000 0.533 314 R N 1.007 121.486 120.500 -0.034 0.000 2.308 314 R HA 0.643 5.027 4.340 0.072 0.000 0.305 314 R C 0.935 177.216 176.300 -0.032 0.000 1.053 314 R CA 0.126 56.203 56.100 -0.038 0.000 0.957 314 R CB 0.448 30.712 30.300 -0.059 0.000 1.022 314 R HN 0.643 nan 8.270 nan 0.000 0.461 315 A N 3.371 126.178 122.820 -0.022 0.000 2.540 315 A HA 0.024 4.387 4.320 0.072 0.000 0.239 315 A C 1.131 178.705 177.584 -0.017 0.000 1.061 315 A CA 0.109 52.139 52.037 -0.012 0.000 0.758 315 A CB 0.314 19.310 19.000 -0.007 0.000 0.991 315 A HN 0.976 nan 8.150 nan 0.000 0.502 316 T N 2.832 117.381 114.554 -0.008 0.000 2.737 316 T HA -0.176 4.217 4.350 0.072 0.000 0.269 316 T C 1.764 176.461 174.700 -0.006 0.000 1.040 316 T CA 1.883 63.977 62.100 -0.010 0.000 1.142 316 T CB -0.441 68.429 68.868 0.005 0.000 0.861 316 T HN 0.528 nan 8.240 nan 0.000 0.456 317 L N 0.735 121.958 121.223 0.000 0.000 2.127 317 L HA -0.165 4.218 4.340 0.072 0.000 0.211 317 L C 2.248 179.118 176.870 -0.000 0.000 1.089 317 L CA 1.186 56.028 54.840 0.003 0.000 0.757 317 L CB -0.522 41.539 42.059 0.004 0.000 0.899 317 L HN 0.181 nan 8.230 nan 0.000 0.434 318 D N -0.429 119.966 120.400 -0.008 0.000 2.264 318 D HA 0.038 4.721 4.640 0.072 0.000 0.208 318 D C 0.672 176.966 176.300 -0.010 0.000 0.966 318 D CA 0.755 54.748 54.000 -0.011 0.000 0.864 318 D CB 0.105 40.891 40.800 -0.023 0.000 0.933 318 D HN 0.178 nan 8.370 nan 0.000 0.499 319 L N 0.636 121.851 121.223 -0.013 0.000 2.334 319 L HA 0.345 4.728 4.340 0.072 0.000 0.275 319 L C 0.358 177.242 176.870 0.022 0.000 1.036 319 L CA -0.747 54.088 54.840 -0.008 0.000 0.807 319 L CB 1.597 43.630 42.059 -0.044 0.000 1.231 319 L HN -0.150 nan 8.230 nan 0.000 0.438 320 Q N 1.484 121.320 119.800 0.060 0.000 2.279 320 Q HA 0.273 4.656 4.340 0.072 0.000 0.256 320 Q C -1.075 174.986 176.000 0.101 0.000 0.937 320 Q CA -0.315 55.535 55.803 0.078 0.000 0.933 320 Q CB 1.261 30.057 28.738 0.098 0.000 1.189 320 Q HN 0.590 nan 8.270 nan 0.000 0.417 321 T N 3.648 118.240 114.554 0.064 0.000 2.824 321 T HA 0.531 4.924 4.350 0.072 0.000 0.280 321 T C -0.602 174.132 174.700 0.057 0.000 0.995 321 T CA -0.579 61.555 62.100 0.056 0.000 1.009 321 T CB 1.159 70.033 68.868 0.010 0.000 0.955 321 T HN 0.524 nan 8.240 nan 0.000 0.452 322 V N 0.996 120.951 119.914 0.067 0.000 3.074 322 V HA 0.840 5.004 4.120 0.072 0.000 0.314 322 V C 0.411 176.525 176.094 0.033 0.000 1.117 322 V CA -0.904 61.420 62.300 0.040 0.000 1.014 322 V CB 1.718 33.556 31.823 0.024 0.000 1.057 322 V HN 0.710 nan 8.190 nan 0.000 0.438 323 V N -1.918 118.009 119.914 0.022 0.000 3.392 323 V HA 0.432 4.595 4.120 0.072 0.000 0.294 323 V C 0.449 176.558 176.094 0.025 0.000 1.561 323 V CA 0.722 63.037 62.300 0.025 0.000 1.056 323 V CB -0.311 31.526 31.823 0.023 0.000 0.882 323 V HN 1.265 nan 8.190 nan 0.000 0.440 324 T N -3.035 111.527 114.554 0.013 0.000 2.912 324 T HA 0.664 5.057 4.350 0.072 0.000 0.288 324 T C -1.976 172.719 174.700 -0.008 0.000 1.030 324 T CA -1.672 60.432 62.100 0.007 0.000 1.020 324 T CB 2.101 70.970 68.868 0.001 0.000 1.056 324 T HN -0.026 nan 8.240 nan 0.000 0.480 325 P HA -0.099 nan 4.420 nan 0.000 0.216 325 P C 1.089 178.361 177.300 -0.047 0.000 1.150 325 P CA 1.172 64.256 63.100 -0.028 0.000 0.843 325 P CB 0.116 31.804 31.700 -0.021 0.000 0.787 326 E N -0.911 119.269 120.200 -0.032 0.000 2.106 326 E HA -0.073 4.320 4.350 0.072 0.000 0.192 326 E C 2.293 178.861 176.600 -0.053 0.000 0.984 326 E CA 1.461 57.840 56.400 -0.035 0.000 0.806 326 E CB -1.297 28.394 29.700 -0.015 0.000 0.750 326 E HN 0.230 nan 8.360 nan 0.000 0.458 327 G N 0.758 109.529 108.800 -0.048 0.000 2.422 327 G HA2 -0.214 3.789 3.960 0.072 0.000 0.218 327 G HA3 -0.214 3.789 3.960 0.072 0.000 0.218 327 G C 1.486 176.316 174.900 -0.115 0.000 1.140 327 G CA 0.565 45.630 45.100 -0.059 0.000 0.775 327 G HN 0.185 nan 8.290 nan 0.000 0.545 328 L N 0.998 122.137 121.223 -0.140 0.000 2.017 328 L HA 0.040 4.423 4.340 0.072 0.000 0.208 328 L C 2.656 179.324 176.870 -0.335 0.000 1.073 328 L CA 2.053 56.732 54.840 -0.270 0.000 0.745 328 L CB -0.589 41.338 42.059 -0.221 0.000 0.894 328 L HN 0.195 nan 8.230 nan 0.000 0.432 329 R N -0.187 120.176 120.500 -0.228 0.000 2.083 329 R HA -0.189 4.194 4.340 0.072 0.000 0.237 329 R C 1.805 177.967 176.300 -0.230 0.000 1.137 329 R CA 2.164 58.130 56.100 -0.224 0.000 0.951 329 R CB -0.802 29.418 30.300 -0.134 0.000 0.851 329 R HN 0.431 nan 8.270 nan 0.000 0.434 330 D N 0.786 121.090 120.400 -0.160 0.000 2.117 330 D HA -0.142 4.541 4.640 0.072 0.000 0.197 330 D C 1.853 178.058 176.300 -0.158 0.000 0.987 330 D CA 0.716 54.646 54.000 -0.117 0.000 0.829 330 D CB -0.215 40.550 40.800 -0.057 0.000 0.961 330 D HN 0.142 nan 8.370 nan 0.000 0.460 331 L N 0.593 121.688 121.223 -0.214 0.000 2.275 331 L HA -0.046 4.338 4.340 0.072 0.000 0.215 331 L C 1.955 178.614 176.870 -0.352 0.000 1.119 331 L CA 1.451 56.146 54.840 -0.241 0.000 0.790 331 L CB -0.836 41.060 42.059 -0.273 0.000 0.919 331 L HN 0.133 nan 8.230 nan 0.000 0.443 332 T N -5.880 108.411 114.554 -0.438 0.000 3.092 332 T HA 0.288 4.681 4.350 0.072 0.000 0.258 332 T C 1.527 176.004 174.700 -0.373 0.000 1.031 332 T CA 0.357 62.187 62.100 -0.450 0.000 0.925 332 T CB 0.114 68.618 68.868 -0.607 0.000 1.036 332 T HN 0.115 nan 8.240 nan 0.000 0.544 333 A N 1.568 124.162 122.820 -0.376 0.000 2.119 333 A HA 0.302 4.666 4.320 0.072 0.000 0.216 333 A C 1.143 178.393 177.584 -0.557 0.000 1.152 333 A CA 0.138 51.824 52.037 -0.585 0.000 0.708 333 A CB -0.080 18.558 19.000 -0.603 0.000 0.805 333 A HN 0.514 nan 8.150 nan 0.000 0.460 334 R N 0.106 120.464 120.500 -0.236 0.000 2.744 334 R HA 0.409 4.792 4.340 0.072 0.000 0.279 334 R C -1.296 174.978 176.300 -0.044 0.000 0.977 334 R CA -0.643 55.410 56.100 -0.079 0.000 0.906 334 R CB 1.347 31.685 30.300 0.064 0.000 1.197 334 R HN 0.396 nan 8.270 nan 0.000 0.463 335 D N 0.197 120.600 120.400 0.005 0.000 2.447 335 D HA -0.003 4.680 4.640 0.072 0.000 0.265 335 D C 0.405 176.739 176.300 0.056 0.000 1.250 335 D CA -0.393 53.632 54.000 0.042 0.000 1.046 335 D CB 0.552 41.394 40.800 0.070 0.000 1.095 335 D HN 0.503 nan 8.370 nan 0.000 0.555 336 E N -1.045 119.194 120.200 0.063 0.000 2.333 336 E HA -0.096 4.297 4.350 0.072 0.000 0.198 336 E C 1.413 178.044 176.600 0.052 0.000 1.007 336 E CA 0.994 57.427 56.400 0.055 0.000 0.845 336 E CB -0.137 29.590 29.700 0.044 0.000 0.766 336 E HN 0.544 nan 8.360 nan 0.000 0.507 337 A N -0.129 122.726 122.820 0.058 0.000 2.275 337 A HA 0.300 4.664 4.320 0.072 0.000 0.212 337 A C 1.644 179.267 177.584 0.063 0.000 1.201 337 A CA 0.670 52.741 52.037 0.057 0.000 0.843 337 A CB -0.068 18.969 19.000 0.062 0.000 0.873 337 A HN 0.297 nan 8.150 nan 0.000 0.492 338 G N -0.501 108.340 108.800 0.069 0.000 2.143 338 G HA2 -0.258 3.745 3.960 0.072 0.000 0.249 338 G HA3 -0.258 3.745 3.960 0.072 0.000 0.249 338 G C 0.247 175.216 174.900 0.114 0.000 0.981 338 G CA 0.237 45.387 45.100 0.083 0.000 0.665 338 G HN 0.628 nan 8.290 nan 0.000 0.528 339 R N -0.560 120.008 120.500 0.113 0.000 2.410 339 R HA 0.309 4.692 4.340 0.072 0.000 0.288 339 R C 0.576 176.982 176.300 0.176 0.000 1.051 339 R CA -0.668 55.520 56.100 0.147 0.000 1.021 339 R CB 0.855 31.231 30.300 0.126 0.000 1.032 339 R HN 0.343 nan 8.270 nan 0.000 0.481 340 W N 3.521 124.795 121.300 -0.044 0.000 2.170 340 W HA -0.014 4.690 4.660 0.074 0.000 0.342 340 W C -0.303 176.136 176.519 -0.134 0.000 1.294 340 W CA 0.040 57.327 57.345 -0.097 0.000 1.246 340 W CB 0.573 29.958 29.460 -0.125 0.000 1.156 340 W HN 0.395 nan 8.180 nan 0.000 0.572 341 R N 5.870 126.027 120.500 -0.571 0.000 2.505 341 R HA 0.133 4.516 4.340 0.072 0.000 0.284 341 R C -1.545 174.344 176.300 -0.685 0.000 1.324 341 R CA -1.365 54.421 56.100 -0.524 0.000 1.432 341 R CB 0.790 30.852 30.300 -0.397 0.000 1.107 341 R HN 0.299 nan 8.270 nan 0.000 0.587 342 P HA -0.083 nan 4.420 nan 0.000 0.217 342 P C 0.316 177.391 177.300 -0.376 0.000 1.151 342 P CA 1.052 63.909 63.100 -0.404 0.000 0.828 342 P CB 0.365 31.892 31.700 -0.288 0.000 0.788 343 I N 0.709 120.968 120.570 -0.519 0.000 2.306 343 I HA 0.243 4.457 4.170 0.072 0.000 0.288 343 I C 1.538 177.517 176.117 -0.229 0.000 1.036 343 I CA -0.601 60.468 61.300 -0.385 0.000 1.221 343 I CB 0.962 38.639 38.000 -0.539 0.000 1.385 343 I HN -0.132 nan 8.210 nan 0.000 0.472 344 R N 2.285 122.740 120.500 -0.075 0.000 2.307 344 R HA -0.025 4.358 4.340 0.072 0.000 0.199 344 R C 1.412 177.860 176.300 0.246 0.000 1.000 344 R CA 0.882 56.984 56.100 0.003 0.000 1.023 344 R CB 0.109 30.383 30.300 -0.043 0.000 0.908 344 R HN 0.745 nan 8.270 nan 0.000 0.473 345 T N -3.217 111.505 114.554 0.280 0.000 3.107 345 T HA 0.034 4.427 4.350 0.072 0.000 0.249 345 T C 0.186 175.097 174.700 0.352 0.000 1.096 345 T CA -0.476 61.806 62.100 0.304 0.000 1.012 345 T CB -0.014 68.953 68.868 0.165 0.000 0.977 345 T HN 0.032 nan 8.240 nan 0.000 0.527 346 W N 2.856 124.185 121.300 0.049 0.000 2.193 346 W HA 0.292 4.996 4.660 0.073 0.000 0.338 346 W C 1.191 177.744 176.519 0.056 0.000 1.310 346 W CA -1.524 55.839 57.345 0.030 0.000 1.243 346 W CB 0.185 29.645 29.460 -0.001 0.000 1.165 346 W HN 0.059 nan 8.180 nan 0.000 0.566 347 R N 2.290 122.879 120.500 0.147 0.000 4.860 347 R HA 0.019 4.402 4.340 0.072 0.000 0.191 347 R C 0.565 176.956 176.300 0.151 0.000 1.936 347 R CA 0.745 56.915 56.100 0.116 0.000 1.609 347 R CB -0.637 29.679 30.300 0.026 0.000 1.392 347 R HN 0.600 nan 8.270 nan 0.000 0.844 348 T N -2.341 112.334 114.554 0.202 0.000 3.332 348 T HA 0.109 4.502 4.350 0.072 0.000 0.304 348 T C 0.092 174.898 174.700 0.177 0.000 0.971 348 T CA -0.556 61.654 62.100 0.185 0.000 0.954 348 T CB 0.085 69.081 68.868 0.213 0.000 1.175 348 T HN 0.134 nan 8.240 nan 0.000 0.519 349 L N 4.688 126.048 121.223 0.227 0.000 2.455 349 L HA 0.419 4.802 4.340 0.072 0.000 0.272 349 L C -2.256 174.831 176.870 0.362 0.000 1.174 349 L CA -1.538 53.446 54.840 0.240 0.000 0.869 349 L CB 0.425 42.618 42.059 0.222 0.000 1.130 349 L HN 0.013 nan 8.230 nan 0.000 0.474 350 P HA 0.186 nan 4.420 nan 0.000 0.277 350 P C -0.889 176.641 177.300 0.383 0.000 1.240 350 P CA -0.379 62.871 63.100 0.251 0.000 0.798 350 P CB 0.838 32.640 31.700 0.170 0.000 0.979 351 R N -0.088 120.473 120.500 0.101 0.000 2.531 351 R HA 0.539 4.922 4.340 0.072 0.000 0.260 351 R C 1.081 177.432 176.300 0.087 0.000 1.144 351 R CA 0.217 56.296 56.100 -0.036 0.000 1.171 351 R CB -0.089 30.089 30.300 -0.204 0.000 1.199 351 R HN 0.811 nan 8.270 nan 0.000 0.594 352 G N -0.381 108.381 108.800 -0.063 0.000 2.184 352 G HA2 -0.150 3.854 3.960 0.072 0.000 0.206 352 G HA3 -0.150 3.854 3.960 0.072 0.000 0.206 352 G C -0.440 174.490 174.900 0.049 0.000 0.995 352 G CA -0.020 45.083 45.100 0.004 0.000 0.651 352 G HN 0.629 nan 8.290 nan 0.000 0.511 353 W N 0.382 121.688 121.300 0.010 0.000 2.850 353 W HA 0.879 5.582 4.660 0.072 0.000 0.349 353 W C -0.100 176.420 176.519 0.002 0.000 1.133 353 W CA -0.876 56.470 57.345 0.002 0.000 1.117 353 W CB 0.747 30.206 29.460 -0.002 0.000 1.442 353 W HN 0.571 nan 8.180 nan 0.000 0.575 354 R N 0.961 121.608 120.500 0.246 0.000 2.604 354 R HA 0.788 5.172 4.340 0.072 0.000 0.270 354 R C -1.829 174.648 176.300 0.297 0.000 1.052 354 R CA -0.777 55.412 56.100 0.149 0.000 0.902 354 R CB 1.611 31.873 30.300 -0.064 0.000 1.233 354 R HN 0.652 nan 8.270 nan 0.000 0.455 355 A N 2.260 125.262 122.820 0.303 0.000 2.342 355 A HA 0.677 5.040 4.320 0.072 0.000 0.323 355 A C -0.961 176.671 177.584 0.081 0.000 1.125 355 A CA -0.853 51.294 52.037 0.184 0.000 0.785 355 A CB 2.005 21.127 19.000 0.204 0.000 1.221 355 A HN 0.413 nan 8.150 nan 0.000 0.463 356 V N 3.747 123.672 119.914 0.020 0.000 2.378 356 V HA 0.440 4.603 4.120 0.072 0.000 0.288 356 V C -0.518 175.610 176.094 0.058 0.000 1.016 356 V CA -0.130 62.157 62.300 -0.022 0.000 0.840 356 V CB 0.899 32.629 31.823 -0.156 0.000 0.994 356 V HN 0.753 nan 8.190 nan 0.000 0.431 357 L N 4.066 125.366 121.223 0.128 0.000 2.365 357 L HA 0.610 4.994 4.340 0.072 0.000 0.273 357 L C 0.585 177.579 176.870 0.207 0.000 1.000 357 L CA -0.538 54.393 54.840 0.151 0.000 0.819 357 L CB 2.468 44.621 42.059 0.156 0.000 1.284 357 L HN 0.727 nan 8.230 nan 0.000 0.418 358 S N 1.420 117.213 115.700 0.156 0.000 2.584 358 S HA 0.223 4.736 4.470 0.072 0.000 0.270 358 S C -1.924 172.826 174.600 0.249 0.000 1.346 358 S CA -0.861 57.437 58.200 0.164 0.000 1.018 358 S CB 0.898 64.159 63.200 0.102 0.000 0.899 358 S HN 0.444 nan 8.310 nan 0.000 0.542 359 P HA -0.067 nan 4.420 nan 0.000 0.216 359 P C 1.460 178.858 177.300 0.163 0.000 1.150 359 P CA 1.883 65.187 63.100 0.340 0.000 0.843 359 P CB -0.229 31.661 31.700 0.316 0.000 0.787 360 A N -0.702 122.185 122.820 0.112 0.000 2.067 360 A HA -0.162 4.201 4.320 0.072 0.000 0.219 360 A C 1.800 179.400 177.584 0.028 0.000 1.158 360 A CA 1.756 53.827 52.037 0.058 0.000 0.661 360 A CB -0.993 18.035 19.000 0.048 0.000 0.801 360 A HN 0.074 nan 8.150 nan 0.000 0.452 361 D N -1.191 119.239 120.400 0.050 0.000 2.367 361 D HA 0.046 4.729 4.640 0.072 0.000 0.207 361 D C 1.649 177.957 176.300 0.013 0.000 1.034 361 D CA 0.060 54.076 54.000 0.026 0.000 0.861 361 D CB 0.060 40.888 40.800 0.046 0.000 0.943 361 D HN 0.292 nan 8.370 nan 0.000 0.515 362 L N 1.352 122.593 121.223 0.031 0.000 2.013 362 L HA -0.172 4.211 4.340 0.072 0.000 0.212 362 L C 2.249 179.104 176.870 -0.027 0.000 1.073 362 L CA 1.791 56.634 54.840 0.005 0.000 0.753 362 L CB -0.315 41.698 42.059 -0.077 0.000 0.890 362 L HN -0.109 nan 8.230 nan 0.000 0.432 363 R N -0.878 119.523 120.500 -0.166 0.000 2.082 363 R HA -0.208 4.175 4.340 0.072 0.000 0.234 363 R C 2.348 178.423 176.300 -0.375 0.000 1.136 363 R CA 2.186 57.952 56.100 -0.557 0.000 0.935 363 R CB -0.681 29.084 30.300 -0.892 0.000 0.842 363 R HN 0.411 nan 8.270 nan 0.000 0.430 364 L N 0.901 121.990 121.223 -0.223 0.000 2.083 364 L HA -0.024 4.359 4.340 0.072 0.000 0.209 364 L C 2.161 179.004 176.870 -0.045 0.000 1.083 364 L CA 2.214 56.983 54.840 -0.118 0.000 0.752 364 L CB -0.918 41.094 42.059 -0.078 0.000 0.899 364 L HN 0.373 nan 8.230 nan 0.000 0.433 365 G N -0.365 108.421 108.800 -0.024 0.000 2.514 365 G HA2 -0.264 3.739 3.960 0.072 0.000 0.217 365 G HA3 -0.264 3.739 3.960 0.072 0.000 0.217 365 G C 1.453 176.371 174.900 0.030 0.000 1.198 365 G CA 0.992 46.094 45.100 0.003 0.000 0.780 365 G HN 0.319 nan 8.290 nan 0.000 0.565 366 L N 0.476 121.764 121.223 0.109 0.000 2.156 366 L HA 0.087 4.470 4.340 0.072 0.000 0.208 366 L C 2.705 179.727 176.870 0.253 0.000 1.095 366 L CA 1.111 56.081 54.840 0.216 0.000 0.770 366 L CB -0.895 41.391 42.059 0.379 0.000 0.914 366 L HN 0.158 nan 8.230 nan 0.000 0.439 367 E N -0.209 120.129 120.200 0.231 0.000 2.106 367 E HA -0.125 4.269 4.350 0.072 0.000 0.192 367 E C 2.321 178.993 176.600 0.120 0.000 0.984 367 E CA 0.867 57.397 56.400 0.217 0.000 0.806 367 E CB -0.052 29.730 29.700 0.137 0.000 0.750 367 E HN 0.409 nan 8.360 nan 0.000 0.458 368 L N -0.010 121.243 121.223 0.051 0.000 2.240 368 L HA -0.102 4.281 4.340 0.072 0.000 0.211 368 L C 2.409 179.246 176.870 -0.055 0.000 1.106 368 L CA 0.244 55.088 54.840 0.006 0.000 0.793 368 L CB -0.276 41.770 42.059 -0.022 0.000 0.927 368 L HN 0.143 nan 8.230 nan 0.000 0.446 369 L N -0.896 120.281 121.223 -0.077 0.000 2.044 369 L HA -0.081 4.302 4.340 0.072 0.000 0.205 369 L C 0.084 176.784 176.870 -0.284 0.000 1.075 369 L CA 1.792 56.485 54.840 -0.246 0.000 0.747 369 L CB -0.057 41.847 42.059 -0.259 0.000 0.903 369 L HN 0.051 nan 8.230 nan 0.000 0.435 370 Y N 0.060 120.367 120.300 0.012 0.000 2.592 370 Y HA 0.433 5.027 4.550 0.072 0.000 0.354 370 Y C -2.322 173.617 175.900 0.065 0.000 1.063 370 Y CA -3.689 54.426 58.100 0.025 0.000 1.205 370 Y CB -0.039 38.434 38.460 0.022 0.000 1.106 370 Y HN 0.082 nan 8.280 nan 0.000 0.649 371 P HA 0.114 nan 4.420 nan 0.000 0.264 371 P C 0.650 178.052 177.300 0.171 0.000 1.193 371 P CA 1.486 64.691 63.100 0.175 0.000 0.763 371 P CB 1.095 32.876 31.700 0.135 0.000 0.810 372 A N 1.952 124.881 122.820 0.183 0.000 3.661 372 A HA -0.249 4.114 4.320 0.072 0.000 0.269 372 A C 1.582 179.240 177.584 0.123 0.000 1.056 372 A CA 1.740 53.874 52.037 0.161 0.000 1.159 372 A CB -2.677 16.408 19.000 0.141 0.000 1.105 372 A HN 0.359 nan 8.150 nan 0.000 0.907 373 V N 0.355 120.328 119.914 0.097 0.000 2.427 373 V HA -0.226 3.937 4.120 0.072 0.000 0.248 373 V C 2.388 178.473 176.094 -0.016 0.000 1.051 373 V CA 1.926 64.233 62.300 0.012 0.000 1.048 373 V CB -0.531 31.245 31.823 -0.079 0.000 0.666 373 V HN 0.685 nan 8.190 nan 0.000 0.456 374 I N 0.216 120.753 120.570 -0.055 0.000 2.233 374 I HA -0.153 4.060 4.170 0.072 0.000 0.243 374 I C 2.510 178.596 176.117 -0.051 0.000 1.093 374 I CA 1.570 62.763 61.300 -0.178 0.000 1.380 374 I CB -0.932 36.619 38.000 -0.749 0.000 1.067 374 I HN 0.382 nan 8.210 nan 0.000 0.413 375 E N 0.859 121.033 120.200 -0.044 0.000 2.047 375 E HA -0.186 4.207 4.350 0.072 0.000 0.191 375 E C 2.099 178.789 176.600 0.149 0.000 0.987 375 E CA 1.048 57.475 56.400 0.045 0.000 0.799 375 E CB -0.163 29.612 29.700 0.124 0.000 0.752 375 E HN 0.449 nan 8.360 nan 0.000 0.449 376 E N 0.338 120.624 120.200 0.143 0.000 2.051 376 E HA -0.159 4.234 4.350 0.072 0.000 0.192 376 E C 2.169 178.884 176.600 0.193 0.000 0.991 376 E CA 1.375 57.868 56.400 0.155 0.000 0.799 376 E CB -0.051 29.720 29.700 0.119 0.000 0.748 376 E HN 0.079 nan 8.360 nan 0.000 0.449 377 S N 0.294 116.111 115.700 0.195 0.000 2.353 377 S HA -0.210 4.303 4.470 0.072 0.000 0.222 377 S C 1.782 176.629 174.600 0.411 0.000 1.035 377 S CA 1.229 59.588 58.200 0.265 0.000 1.025 377 S CB -0.499 62.789 63.200 0.146 0.000 0.902 377 S HN 0.329 nan 8.310 nan 0.000 0.440 378 Y N 2.422 122.906 120.300 0.307 0.000 2.128 378 Y HA -0.230 4.363 4.550 0.072 0.000 0.284 378 Y C 2.512 178.505 175.900 0.155 0.000 1.154 378 Y CA 1.070 59.216 58.100 0.077 0.000 1.149 378 Y CB -0.894 37.425 38.460 -0.235 0.000 0.976 378 Y HN 0.219 nan 8.280 nan 0.000 0.505 379 A N -0.998 121.933 122.820 0.184 0.000 1.908 379 A HA -0.286 4.078 4.320 0.072 0.000 0.218 379 A C 2.052 179.716 177.584 0.134 0.000 1.181 379 A CA 2.130 54.243 52.037 0.126 0.000 0.627 379 A CB -1.219 17.885 19.000 0.173 0.000 0.818 379 A HN 0.700 nan 8.150 nan 0.000 0.445 380 H N -0.612 118.503 119.070 0.075 0.000 2.357 380 H HA -0.071 4.528 4.556 0.072 0.000 0.301 380 H C 1.989 177.312 175.328 -0.008 0.000 1.082 380 H CA 1.876 57.956 56.048 0.054 0.000 1.342 380 H CB -0.119 29.683 29.762 0.066 0.000 1.389 380 H HN 0.448 nan 8.280 nan 0.000 0.511 381 E N -0.050 120.123 120.200 -0.044 0.000 2.171 381 E HA -0.187 4.207 4.350 0.072 0.000 0.197 381 E C 0.870 177.194 176.600 -0.460 0.000 0.997 381 E CA 1.427 57.694 56.400 -0.222 0.000 0.810 381 E CB -0.230 29.407 29.700 -0.104 0.000 0.738 381 E HN 0.662 nan 8.360 nan 0.000 0.467 382 H N -0.432 118.454 119.070 -0.308 0.000 2.524 382 H HA 0.259 4.859 4.556 0.072 0.000 0.299 382 H C -0.037 175.186 175.328 -0.175 0.000 1.074 382 H CA 0.117 55.995 56.048 -0.283 0.000 1.115 382 H CB 0.335 29.855 29.762 -0.403 0.000 1.522 382 H HN -0.040 nan 8.280 nan 0.000 0.543 383 R N 0.669 121.090 120.500 -0.132 0.000 3.525 383 R HA -0.202 4.181 4.340 0.072 0.000 0.276 383 R C 0.490 176.798 176.300 0.014 0.000 1.116 383 R CA 0.774 56.820 56.100 -0.090 0.000 0.745 383 R CB -1.969 28.282 30.300 -0.082 0.000 1.185 383 R HN 0.626 nan 8.270 nan 0.000 0.454 384 R N -1.224 119.312 120.500 0.060 0.000 2.637 384 R HA 0.231 4.614 4.340 0.072 0.000 0.446 384 R C -0.560 175.830 176.300 0.150 0.000 1.024 384 R CA -0.803 55.355 56.100 0.096 0.000 1.080 384 R CB 0.343 30.685 30.300 0.069 0.000 1.421 384 R HN 0.041 nan 8.270 nan 0.000 0.593 385 L N 2.361 123.716 121.223 0.219 0.000 2.283 385 L HA 0.278 4.661 4.340 0.072 0.000 0.287 385 L C -0.334 176.678 176.870 0.237 0.000 1.073 385 L CA -0.559 54.429 54.840 0.245 0.000 0.822 385 L CB 0.383 42.620 42.059 0.297 0.000 1.186 385 L HN 0.283 nan 8.230 nan 0.000 0.436 386 H N 6.438 125.573 119.070 0.108 0.000 2.955 386 H HA 0.208 4.807 4.556 0.072 0.000 0.290 386 H C -0.860 174.504 175.328 0.060 0.000 1.047 386 H CA -0.357 55.686 56.048 -0.009 0.000 1.484 386 H CB 0.235 29.962 29.762 -0.059 0.000 1.501 386 H HN 0.616 nan 8.280 nan 0.000 0.521 387 W N 4.043 125.118 121.300 -0.374 0.000 2.448 387 W HA 0.508 5.211 4.660 0.072 0.000 0.339 387 W C -1.293 174.968 176.519 -0.430 0.000 1.124 387 W CA -1.103 56.104 57.345 -0.229 0.000 1.262 387 W CB 0.483 29.948 29.460 0.009 0.000 1.251 387 W HN 0.416 nan 8.180 nan 0.000 0.597 388 T N 3.708 118.314 114.554 0.088 0.000 2.771 388 T HA 0.314 4.707 4.350 0.072 0.000 0.281 388 T C -2.429 172.455 174.700 0.307 0.000 0.982 388 T CA -1.341 60.778 62.100 0.031 0.000 0.978 388 T CB 1.439 70.328 68.868 0.034 0.000 0.930 388 T HN 0.057 nan 8.240 nan 0.000 0.447 389 P HA -0.014 nan 4.420 nan 0.000 0.269 389 P C 0.858 178.310 177.300 0.253 0.000 1.209 389 P CA -0.604 62.777 63.100 0.469 0.000 0.776 389 P CB 0.643 32.541 31.700 0.330 0.000 0.876 390 W N 4.099 125.492 121.300 0.155 0.000 2.305 390 W HA -0.248 4.456 4.660 0.072 0.000 0.308 390 W C 1.092 177.615 176.519 0.007 0.000 1.226 390 W CA 1.538 58.868 57.345 -0.025 0.000 1.253 390 W CB -0.494 29.030 29.460 0.107 0.000 1.146 390 W HN 0.216 nan 8.180 nan 0.000 0.507 391 M N 0.652 120.277 119.600 0.042 0.000 2.175 391 M HA -0.171 4.352 4.480 0.072 0.000 0.264 391 M C 2.515 178.711 176.300 -0.173 0.000 1.063 391 M CA 1.869 57.111 55.300 -0.096 0.000 1.119 391 M CB -1.461 31.195 32.600 0.094 0.000 1.377 391 M HN 0.038 nan 8.290 nan 0.000 0.415 392 S N -0.281 115.360 115.700 -0.099 0.000 2.353 392 S HA -0.147 4.366 4.470 0.072 0.000 0.222 392 S C 1.853 176.343 174.600 -0.183 0.000 1.035 392 S CA 2.190 60.330 58.200 -0.099 0.000 1.025 392 S CB -0.213 62.967 63.200 -0.034 0.000 0.902 392 S HN 0.532 nan 8.310 nan 0.000 0.440 393 T N 2.249 116.640 114.554 -0.272 0.000 2.652 393 T HA -0.070 4.323 4.350 0.072 0.000 0.267 393 T C 2.081 176.531 174.700 -0.417 0.000 1.039 393 T CA 1.547 63.443 62.100 -0.340 0.000 1.153 393 T CB -0.889 67.706 68.868 -0.456 0.000 0.863 393 T HN 0.553 nan 8.240 nan 0.000 0.428 394 A N 1.564 123.976 122.820 -0.678 0.000 1.908 394 A HA -0.138 4.225 4.320 0.072 0.000 0.218 394 A C 2.376 179.796 177.584 -0.274 0.000 1.181 394 A CA 1.561 53.234 52.037 -0.607 0.000 0.627 394 A CB -0.521 17.977 19.000 -0.835 0.000 0.818 394 A HN 0.410 nan 8.150 nan 0.000 0.445 395 R N -0.962 119.409 120.500 -0.215 0.000 2.148 395 R HA 0.002 4.385 4.340 0.072 0.000 0.223 395 R C 2.305 178.553 176.300 -0.086 0.000 1.088 395 R CA 0.922 56.955 56.100 -0.111 0.000 0.985 395 R CB -0.205 30.048 30.300 -0.078 0.000 0.880 395 R HN 0.473 nan 8.270 nan 0.000 0.451 396 R N 0.440 120.877 120.500 -0.105 0.000 2.152 396 R HA -0.063 4.321 4.340 0.072 0.000 0.232 396 R C 0.324 176.599 176.300 -0.042 0.000 1.117 396 R CA 0.751 56.806 56.100 -0.075 0.000 0.981 396 R CB 0.004 30.253 30.300 -0.084 0.000 0.870 396 R HN 0.178 nan 8.270 nan 0.000 0.451 397 Q N 1.015 120.790 119.800 -0.042 0.000 2.352 397 Q HA 0.098 4.481 4.340 0.072 0.000 0.260 397 Q C 0.370 176.405 176.000 0.058 0.000 0.976 397 Q CA 0.403 56.220 55.803 0.023 0.000 0.881 397 Q CB 1.343 30.091 28.738 0.017 0.000 1.235 397 Q HN 0.166 nan 8.270 nan 0.000 0.419 398 T N -2.797 111.835 114.554 0.131 0.000 2.858 398 T HA 0.780 5.173 4.350 0.072 0.000 0.285 398 T C 0.591 175.398 174.700 0.177 0.000 1.052 398 T CA -0.248 61.942 62.100 0.150 0.000 1.009 398 T CB 1.671 70.665 68.868 0.209 0.000 1.241 398 T HN 0.780 nan 8.240 nan 0.000 0.542 399 G N 1.110 109.963 108.800 0.089 0.000 2.582 399 G HA2 -0.344 3.659 3.960 0.072 0.000 0.288 399 G HA3 -0.344 3.659 3.960 0.072 0.000 0.288 399 G C 1.122 176.062 174.900 0.066 0.000 1.247 399 G CA 1.803 46.930 45.100 0.045 0.000 0.972 399 G HN 1.893 nan 8.290 nan 0.000 0.557 400 T N -1.467 113.132 114.554 0.075 0.000 2.759 400 T HA -0.063 4.330 4.350 0.072 0.000 0.269 400 T C 2.429 177.178 174.700 0.081 0.000 1.042 400 T CA 2.114 64.255 62.100 0.069 0.000 1.140 400 T CB -0.164 68.745 68.868 0.068 0.000 0.864 400 T HN 0.751 nan 8.240 nan 0.000 0.455 401 L N 1.582 122.867 121.223 0.104 0.000 2.265 401 L HA 0.298 4.681 4.340 0.072 0.000 0.215 401 L C 2.775 179.691 176.870 0.077 0.000 1.117 401 L CA 0.917 55.817 54.840 0.100 0.000 0.782 401 L CB -1.277 40.859 42.059 0.128 0.000 0.914 401 L HN 0.433 nan 8.230 nan 0.000 0.441 402 A N -1.171 121.691 122.820 0.070 0.000 2.125 402 A HA -0.217 4.146 4.320 0.072 0.000 0.219 402 A C 2.303 179.919 177.584 0.054 0.000 1.156 402 A CA 1.120 53.185 52.037 0.047 0.000 0.671 402 A CB -0.480 18.545 19.000 0.042 0.000 0.794 402 A HN 0.334 nan 8.150 nan 0.000 0.459 403 R N 0.101 120.641 120.500 0.067 0.000 2.204 403 R HA -0.179 4.204 4.340 0.072 0.000 0.253 403 R C 1.908 178.274 176.300 0.110 0.000 1.172 403 R CA 1.825 57.973 56.100 0.079 0.000 0.994 403 R CB -0.991 29.357 30.300 0.080 0.000 0.874 403 R HN 0.611 nan 8.270 nan 0.000 0.462 404 V N -2.094 117.895 119.914 0.125 0.000 2.913 404 V HA -0.159 4.004 4.120 0.072 0.000 0.260 404 V C 1.473 177.714 176.094 0.244 0.000 1.098 404 V CA 1.478 63.908 62.300 0.218 0.000 1.121 404 V CB -0.544 31.411 31.823 0.219 0.000 0.714 404 V HN 0.299 nan 8.190 nan 0.000 0.487 405 Q N 0.164 120.039 119.800 0.124 0.000 2.437 405 Q HA 0.010 4.393 4.340 0.072 0.000 0.210 405 Q C 2.139 178.227 176.000 0.146 0.000 0.972 405 Q CA 0.911 56.783 55.803 0.115 0.000 0.903 405 Q CB -0.147 28.620 28.738 0.048 0.000 0.967 405 Q HN 0.602 nan 8.270 nan 0.000 0.486 406 R N 0.184 120.768 120.500 0.140 0.000 2.246 406 R HA 0.195 4.579 4.340 0.072 0.000 0.199 406 R C 0.542 176.917 176.300 0.125 0.000 0.984 406 R CA 0.329 56.498 56.100 0.114 0.000 1.015 406 R CB -0.053 30.301 30.300 0.089 0.000 0.930 406 R HN 0.064 nan 8.270 nan 0.000 0.475 407 A N 2.174 125.098 122.820 0.173 0.000 2.477 407 A HA 0.176 4.539 4.320 0.072 0.000 0.246 407 A C 0.674 178.322 177.584 0.106 0.000 1.078 407 A CA -0.091 52.028 52.037 0.136 0.000 0.770 407 A CB 0.088 19.189 19.000 0.168 0.000 1.011 407 A HN 0.330 nan 8.150 nan 0.000 0.494 408 T N 0.883 115.467 114.554 0.050 0.000 2.860 408 T HA 0.353 4.746 4.350 0.072 0.000 0.299 408 T C -1.825 172.864 174.700 -0.017 0.000 1.045 408 T CA -1.164 60.955 62.100 0.032 0.000 1.071 408 T CB 0.546 69.426 68.868 0.020 0.000 0.985 408 T HN 0.353 nan 8.240 nan 0.000 0.537 409 P HA -0.058 nan 4.420 nan 0.000 0.217 409 P C 0.842 178.095 177.300 -0.078 0.000 1.148 409 P CA 1.094 64.164 63.100 -0.050 0.000 0.828 409 P CB 0.039 31.741 31.700 0.003 0.000 0.783 410 D N -1.880 118.491 120.400 -0.049 0.000 2.271 410 D HA -0.062 4.622 4.640 0.072 0.000 0.206 410 D C 1.978 178.245 176.300 -0.056 0.000 0.967 410 D CA 0.516 54.487 54.000 -0.049 0.000 0.867 410 D CB -0.108 40.675 40.800 -0.027 0.000 0.960 410 D HN 0.090 nan 8.370 nan 0.000 0.509 411 Q N -0.188 119.581 119.800 -0.053 0.000 2.084 411 Q HA -0.123 4.260 4.340 0.072 0.000 0.202 411 Q C 2.358 178.293 176.000 -0.108 0.000 0.978 411 Q CA 1.423 57.194 55.803 -0.054 0.000 0.844 411 Q CB -0.058 28.666 28.738 -0.024 0.000 0.898 411 Q HN 0.340 nan 8.270 nan 0.000 0.426 412 V N -0.030 119.762 119.914 -0.205 0.000 2.548 412 V HA -0.195 3.968 4.120 0.072 0.000 0.249 412 V C 1.278 177.243 176.094 -0.214 0.000 1.055 412 V CA 2.008 64.100 62.300 -0.346 0.000 1.065 412 V CB -0.276 31.004 31.823 -0.905 0.000 0.681 412 V HN 0.176 nan 8.190 nan 0.000 0.462 413 D N 0.642 120.946 120.400 -0.160 0.000 2.144 413 D HA -0.111 4.572 4.640 0.072 0.000 0.199 413 D C 2.289 178.540 176.300 -0.082 0.000 0.984 413 D CA 2.100 56.032 54.000 -0.114 0.000 0.834 413 D CB -0.400 40.350 40.800 -0.084 0.000 0.955 413 D HN 0.556 nan 8.370 nan 0.000 0.465 414 T N 0.119 114.632 114.554 -0.068 0.000 2.812 414 T HA -0.043 4.350 4.350 0.072 0.000 0.264 414 T C 2.256 176.935 174.700 -0.035 0.000 1.042 414 T CA 0.549 62.623 62.100 -0.044 0.000 1.140 414 T CB -0.186 68.662 68.868 -0.033 0.000 0.870 414 T HN -0.049 nan 8.240 nan 0.000 0.445 415 V N 1.964 121.857 119.914 -0.035 0.000 2.295 415 V HA -0.161 4.002 4.120 0.072 0.000 0.246 415 V C 2.942 179.036 176.094 -0.000 0.000 1.049 415 V CA 1.719 64.015 62.300 -0.007 0.000 1.024 415 V CB -1.317 30.508 31.823 0.004 0.000 0.648 415 V HN 0.513 nan 8.190 nan 0.000 0.447 416 A N 0.293 123.104 122.820 -0.016 0.000 1.892 416 A HA -0.247 4.116 4.320 0.072 0.000 0.218 416 A C 2.446 180.002 177.584 -0.047 0.000 1.188 416 A CA 2.591 54.625 52.037 -0.005 0.000 0.631 416 A CB -1.024 17.951 19.000 -0.041 0.000 0.822 416 A HN 0.633 nan 8.150 nan 0.000 0.447 417 A N -1.529 121.253 122.820 -0.062 0.000 1.978 417 A HA -0.205 4.158 4.320 0.072 0.000 0.220 417 A C 2.132 179.680 177.584 -0.060 0.000 1.170 417 A CA 1.858 53.859 52.037 -0.061 0.000 0.636 417 A CB -0.399 18.573 19.000 -0.046 0.000 0.810 417 A HN 0.551 nan 8.150 nan 0.000 0.448 418 Q N -0.612 119.163 119.800 -0.042 0.000 2.062 418 Q HA -0.019 4.364 4.340 0.072 0.000 0.196 418 Q C 2.396 178.361 176.000 -0.059 0.000 0.967 418 Q CA 1.525 57.303 55.803 -0.041 0.000 0.832 418 Q CB -0.876 27.855 28.738 -0.012 0.000 0.899 418 Q HN 0.470 nan 8.270 nan 0.000 0.442 419 V N 0.363 120.268 119.914 -0.016 0.000 2.283 419 V HA -0.222 3.941 4.120 0.072 0.000 0.243 419 V C 2.379 178.399 176.094 -0.122 0.000 1.039 419 V CA 1.553 63.864 62.300 0.018 0.000 1.016 419 V CB -0.549 31.368 31.823 0.156 0.000 0.650 419 V HN 0.322 nan 8.190 nan 0.000 0.449 420 C N 0.677 119.933 119.300 -0.075 0.000 2.472 420 C HA 0.150 4.653 4.460 0.072 0.000 0.278 420 C C 2.938 177.786 174.990 -0.237 0.000 1.447 420 C CA 0.054 59.002 59.018 -0.118 0.000 1.773 420 C CB -1.624 26.082 27.740 -0.057 0.000 1.793 420 C HN 0.598 nan 8.230 nan 0.000 0.544 421 A N 0.715 123.394 122.820 -0.235 0.000 2.076 421 A HA -0.150 4.213 4.320 0.072 0.000 0.220 421 A C 2.196 179.578 177.584 -0.336 0.000 1.160 421 A CA 2.070 53.968 52.037 -0.231 0.000 0.653 421 A CB -0.460 18.436 19.000 -0.172 0.000 0.801 421 A HN 0.558 nan 8.150 nan 0.000 0.455 422 S N -2.021 113.318 115.700 -0.602 0.000 2.558 422 S HA 0.076 4.589 4.470 0.072 0.000 0.217 422 S C 0.574 174.707 174.600 -0.778 0.000 0.975 422 S CA -0.021 57.703 58.200 -0.793 0.000 0.912 422 S CB -0.533 61.779 63.200 -1.480 0.000 0.776 422 S HN 0.611 nan 8.310 nan 0.000 0.526 423 C N 1.777 120.710 119.300 -0.611 0.000 2.370 423 C HA 0.448 4.951 4.460 0.072 0.000 0.354 423 C C 1.548 176.464 174.990 -0.123 0.000 1.218 423 C CA -0.687 58.159 59.018 -0.287 0.000 2.154 423 C CB -0.045 27.639 27.740 -0.095 0.000 2.391 423 C HN 0.307 nan 8.230 nan 0.000 0.540 424 L N 3.326 124.531 121.223 -0.029 0.000 2.313 424 L HA 0.179 4.562 4.340 0.072 0.000 0.214 424 L C 1.631 178.468 176.870 -0.056 0.000 1.119 424 L CA 1.388 56.201 54.840 -0.046 0.000 0.809 424 L CB -0.992 41.039 42.059 -0.046 0.000 0.933 424 L HN 0.658 nan 8.230 nan 0.000 0.449 425 R N -1.036 119.446 120.500 -0.029 0.000 2.560 425 R HA 0.341 4.724 4.340 0.072 0.000 0.270 425 R C -0.075 176.185 176.300 -0.066 0.000 1.074 425 R CA -0.116 55.963 56.100 -0.035 0.000 1.140 425 R CB 0.408 30.718 30.300 0.016 0.000 1.073 425 R HN -0.049 nan 8.270 nan 0.000 0.527 426 T N 2.549 117.049 114.554 -0.091 0.000 2.771 426 T HA 0.198 4.592 4.350 0.072 0.000 0.281 426 T C -0.204 174.367 174.700 -0.214 0.000 0.982 426 T CA -0.812 61.207 62.100 -0.135 0.000 0.978 426 T CB 0.720 69.523 68.868 -0.107 0.000 0.930 426 T HN 0.493 nan 8.240 nan 0.000 0.447 427 R N 4.085 124.350 120.500 -0.391 0.000 2.429 427 R HA 0.206 4.589 4.340 0.072 0.000 0.302 427 R C 0.221 176.048 176.300 -0.789 0.000 1.268 427 R CA -0.600 55.090 56.100 -0.683 0.000 1.090 427 R CB -0.127 29.543 30.300 -1.050 0.000 1.102 427 R HN 0.322 nan 8.270 nan 0.000 0.522 428 L N 2.977 123.895 121.223 -0.508 0.000 2.093 428 L HA -0.125 4.258 4.340 0.072 0.000 0.208 428 L C 2.067 178.463 176.870 -0.790 0.000 1.085 428 L CA 1.251 55.789 54.840 -0.503 0.000 0.755 428 L CB -0.827 41.036 42.059 -0.325 0.000 0.904 428 L HN 0.785 nan 8.230 nan 0.000 0.435 429 W N -1.288 119.721 121.300 -0.486 0.000 2.525 429 W HA 0.101 4.805 4.660 0.072 0.000 0.259 429 W C 1.430 177.726 176.519 -0.371 0.000 1.253 429 W CA 0.660 57.726 57.345 -0.465 0.000 1.262 429 W CB -0.812 28.711 29.460 0.106 0.000 1.122 429 W HN 0.247 nan 8.180 nan 0.000 0.607 430 A N 0.793 123.074 122.820 -0.899 0.000 2.345 430 A HA 0.489 4.852 4.320 0.072 0.000 0.225 430 A C 1.831 179.190 177.584 -0.375 0.000 1.243 430 A CA 0.751 52.363 52.037 -0.708 0.000 0.875 430 A CB -0.828 17.416 19.000 -1.259 0.000 0.929 430 A HN 0.654 nan 8.150 nan 0.000 0.502 431 G N -0.861 107.692 108.800 -0.412 0.000 2.157 431 G HA2 -0.242 3.762 3.960 0.072 0.000 0.248 431 G HA3 -0.242 3.762 3.960 0.072 0.000 0.248 431 G C 0.070 174.892 174.900 -0.131 0.000 0.979 431 G CA 0.321 45.269 45.100 -0.253 0.000 0.650 431 G HN 0.753 nan 8.290 nan 0.000 0.529 432 H N 1.213 120.061 119.070 -0.371 0.000 2.652 432 H HA 0.440 5.039 4.556 0.072 0.000 0.349 432 H C 0.778 175.959 175.328 -0.246 0.000 1.099 432 H CA 0.667 56.544 56.048 -0.284 0.000 1.417 432 H CB 0.999 30.577 29.762 -0.307 0.000 1.457 432 H HN 0.406 nan 8.280 nan 0.000 0.568 433 T N 0.670 115.178 114.554 -0.077 0.000 2.912 433 T HA 0.464 4.857 4.350 0.072 0.000 0.288 433 T C -0.566 174.119 174.700 -0.026 0.000 1.030 433 T CA -1.076 60.993 62.100 -0.052 0.000 1.020 433 T CB 1.776 70.621 68.868 -0.038 0.000 1.056 433 T HN 0.245 nan 8.240 nan 0.000 0.480 434 L N 2.077 123.327 121.223 0.045 0.000 2.415 434 L HA 0.705 5.088 4.340 0.072 0.000 0.268 434 L C 0.788 177.753 176.870 0.159 0.000 0.984 434 L CA -0.019 54.862 54.840 0.067 0.000 0.853 434 L CB 1.216 43.267 42.059 -0.014 0.000 1.215 434 L HN 0.969 nan 8.230 nan 0.000 0.419 435 G N 3.175 112.009 108.800 0.056 0.000 2.683 435 G HA2 0.106 4.109 3.960 0.072 0.000 0.213 435 G HA3 0.106 4.109 3.960 0.072 0.000 0.213 435 G C 0.269 175.171 174.900 0.004 0.000 1.142 435 G CA 0.209 45.321 45.100 0.020 0.000 0.793 435 G HN 0.535 nan 8.290 nan 0.000 0.534 436 Q N -0.684 119.131 119.800 0.025 0.000 2.377 436 Q HA 0.485 4.869 4.340 0.072 0.000 0.279 436 Q C -0.711 175.309 176.000 0.034 0.000 1.049 436 Q CA -0.662 55.149 55.803 0.013 0.000 0.825 436 Q CB 2.492 31.227 28.738 -0.005 0.000 1.401 436 Q HN 0.211 nan 8.270 nan 0.000 0.404 437 T N -2.802 111.776 114.554 0.039 0.000 2.807 437 T HA 0.502 4.895 4.350 0.072 0.000 0.277 437 T C 1.237 175.913 174.700 -0.039 0.000 1.006 437 T CA -0.692 61.423 62.100 0.026 0.000 1.006 437 T CB 0.352 69.284 68.868 0.106 0.000 1.274 437 T HN 0.697 nan 8.240 nan 0.000 0.569 438 I N -1.860 118.620 120.570 -0.149 0.000 2.530 438 I HA 0.057 4.271 4.170 0.072 0.000 0.257 438 I C 1.439 177.376 176.117 -0.301 0.000 1.179 438 I CA 1.369 62.501 61.300 -0.281 0.000 1.440 438 I CB -0.712 37.006 38.000 -0.471 0.000 1.087 438 I HN 0.369 nan 8.210 nan 0.000 0.440 439 F N 1.687 121.637 119.950 0.000 0.000 2.789 439 F HA 0.132 4.703 4.527 0.072 0.000 0.300 439 F C 1.673 177.473 175.800 0.001 0.000 1.132 439 F CA 0.137 58.148 58.000 0.018 0.000 1.404 439 F CB -0.184 38.853 39.000 0.061 0.000 1.114 439 F HN 0.076 nan 8.300 nan 0.000 0.584 440 S N -0.906 114.860 115.700 0.109 0.000 2.624 440 S HA 0.509 5.023 4.470 0.072 0.000 0.246 440 S C 1.343 175.958 174.600 0.025 0.000 1.072 440 S CA 0.030 58.262 58.200 0.054 0.000 1.045 440 S CB 0.217 63.428 63.200 0.017 0.000 0.851 440 S HN 0.456 nan 8.310 nan 0.000 0.480 441 G N 0.594 109.405 108.800 0.018 0.000 2.157 441 G HA2 -0.234 3.769 3.960 0.072 0.000 0.239 441 G HA3 -0.234 3.769 3.960 0.072 0.000 0.239 441 G C -0.083 174.805 174.900 -0.019 0.000 0.982 441 G CA -0.114 44.988 45.100 0.004 0.000 0.650 441 G HN 0.588 nan 8.290 nan 0.000 0.527 442 V N 0.961 120.854 119.914 -0.035 0.000 2.313 442 V HA 0.335 4.498 4.120 0.072 0.000 0.278 442 V C -0.593 175.458 176.094 -0.072 0.000 1.017 442 V CA -0.892 61.382 62.300 -0.044 0.000 0.823 442 V CB 1.707 33.509 31.823 -0.035 0.000 1.010 442 V HN 0.032 nan 8.190 nan 0.000 0.443 443 P HA -0.075 nan 4.420 nan 0.000 0.216 443 P C 1.408 178.642 177.300 -0.110 0.000 1.150 443 P CA 1.184 64.231 63.100 -0.089 0.000 0.837 443 P CB 0.312 31.977 31.700 -0.059 0.000 0.786 444 G N -1.010 107.739 108.800 -0.086 0.000 3.233 444 G HA2 0.186 4.189 3.960 0.072 0.000 0.227 444 G HA3 0.186 4.189 3.960 0.072 0.000 0.227 444 G C 0.697 175.544 174.900 -0.089 0.000 1.175 444 G CA -0.053 44.994 45.100 -0.089 0.000 0.781 444 G HN 0.325 nan 8.290 nan 0.000 0.542 445 G N 0.733 109.479 108.800 -0.090 0.000 2.915 445 G HA2 0.465 4.469 3.960 0.072 0.000 0.298 445 G HA3 0.465 4.469 3.960 0.072 0.000 0.298 445 G C -0.781 174.070 174.900 -0.082 0.000 0.837 445 G CA -0.221 44.837 45.100 -0.069 0.000 1.752 445 G HN 0.167 nan 8.290 nan 0.000 0.526 446 L N 4.150 125.320 121.223 -0.089 0.000 2.381 446 L HA 0.469 4.852 4.340 0.072 0.000 0.274 446 L C -2.088 174.733 176.870 -0.081 0.000 0.988 446 L CA -1.973 52.812 54.840 -0.092 0.000 0.824 446 L CB 2.947 44.933 42.059 -0.123 0.000 1.263 446 L HN 0.200 nan 8.230 nan 0.000 0.410 447 P HA 0.116 nan 4.420 nan 0.000 0.278 447 P C -0.996 176.284 177.300 -0.033 0.000 1.238 447 P CA -0.508 62.512 63.100 -0.134 0.000 0.794 447 P CB 1.562 33.130 31.700 -0.220 0.000 0.955 448 C N 2.704 121.998 119.300 -0.009 0.000 2.298 448 C HA 0.662 5.165 4.460 0.072 0.000 0.323 448 C C 1.489 176.618 174.990 0.231 0.000 1.284 448 C CA -0.059 59.036 59.018 0.130 0.000 1.577 448 C CB -0.543 27.312 27.740 0.191 0.000 2.249 448 C HN 0.697 nan 8.230 nan 0.000 0.497 449 A N 3.940 126.916 122.820 0.260 0.000 2.195 449 A HA 0.354 4.717 4.320 0.072 0.000 0.210 449 A C 0.526 178.324 177.584 0.357 0.000 1.165 449 A CA 0.463 52.694 52.037 0.324 0.000 0.806 449 A CB 0.013 19.153 19.000 0.234 0.000 0.847 449 A HN 0.911 nan 8.150 nan 0.000 0.482 450 E N -1.466 118.883 120.200 0.249 0.000 2.380 450 E HA 0.516 4.909 4.350 0.072 0.000 0.281 450 E C -0.941 175.488 176.600 -0.284 0.000 0.999 450 E CA -0.555 55.772 56.400 -0.122 0.000 0.800 450 E CB 1.365 31.043 29.700 -0.038 0.000 1.228 450 E HN 0.268 nan 8.360 nan 0.000 0.436 451 A N 2.310 124.659 122.820 -0.786 0.000 2.524 451 A HA 0.301 4.664 4.320 0.072 0.000 0.250 451 A C 0.633 178.153 177.584 -0.107 0.000 1.078 451 A CA 0.038 51.823 52.037 -0.421 0.000 0.761 451 A CB -0.832 17.860 19.000 -0.513 0.000 1.012 451 A HN 0.714 nan 8.150 nan 0.000 0.500 452 C N 1.761 121.085 119.300 0.040 0.000 2.345 452 C HA 0.698 5.202 4.460 0.072 0.000 0.369 452 C C 2.013 177.036 174.990 0.055 0.000 1.273 452 C CA 0.215 59.266 59.018 0.055 0.000 2.310 452 C CB 0.299 28.088 27.740 0.082 0.000 2.219 452 C HN 1.054 nan 8.230 nan 0.000 0.587 453 T N -0.806 113.778 114.554 0.051 0.000 2.833 453 T HA -0.129 4.264 4.350 0.072 0.000 0.269 453 T C 1.449 176.194 174.700 0.076 0.000 1.054 453 T CA 1.708 63.865 62.100 0.096 0.000 1.135 453 T CB -0.686 68.284 68.868 0.171 0.000 0.869 453 T HN 0.619 nan 8.240 nan 0.000 0.466 454 V N 1.192 121.023 119.914 -0.139 0.000 2.323 454 V HA 0.003 4.166 4.120 0.072 0.000 0.244 454 V C 2.520 178.631 176.094 0.029 0.000 1.041 454 V CA 1.363 63.499 62.300 -0.272 0.000 1.025 454 V CB -0.695 30.864 31.823 -0.440 0.000 0.656 454 V HN 0.394 nan 8.190 nan 0.000 0.451 455 L N -0.253 121.041 121.223 0.118 0.000 2.046 455 L HA -0.139 4.244 4.340 0.072 0.000 0.208 455 L C 2.176 179.177 176.870 0.218 0.000 1.077 455 L CA 1.873 56.830 54.840 0.195 0.000 0.747 455 L CB -0.528 41.681 42.059 0.251 0.000 0.896 455 L HN 0.203 nan 8.230 nan 0.000 0.432 456 L N -0.645 120.703 121.223 0.208 0.000 2.046 456 L HA -0.193 4.190 4.340 0.072 0.000 0.208 456 L C 2.653 179.640 176.870 0.195 0.000 1.077 456 L CA 1.273 56.248 54.840 0.224 0.000 0.747 456 L CB -0.919 41.211 42.059 0.119 0.000 0.896 456 L HN 0.374 nan 8.230 nan 0.000 0.432 457 A N -0.231 122.693 122.820 0.172 0.000 1.969 457 A HA -0.103 4.260 4.320 0.072 0.000 0.218 457 A C 2.512 180.187 177.584 0.151 0.000 1.169 457 A CA 1.541 53.675 52.037 0.162 0.000 0.635 457 A CB -0.604 18.522 19.000 0.210 0.000 0.810 457 A HN 0.395 nan 8.150 nan 0.000 0.445 458 A N -0.573 122.338 122.820 0.151 0.000 1.898 458 A HA 0.031 4.394 4.320 0.072 0.000 0.216 458 A C 2.193 179.853 177.584 0.126 0.000 1.181 458 A CA 1.684 53.802 52.037 0.135 0.000 0.620 458 A CB -0.827 18.255 19.000 0.136 0.000 0.819 458 A HN 0.357 nan 8.150 nan 0.000 0.442 459 V N 0.120 120.128 119.914 0.156 0.000 2.427 459 V HA -0.219 3.944 4.120 0.072 0.000 0.248 459 V C 2.636 178.824 176.094 0.155 0.000 1.051 459 V CA 2.112 64.506 62.300 0.157 0.000 1.048 459 V CB -0.796 31.175 31.823 0.248 0.000 0.666 459 V HN 0.637 nan 8.190 nan 0.000 0.456 460 R N 0.248 120.844 120.500 0.160 0.000 2.073 460 R HA -0.206 4.177 4.340 0.072 0.000 0.234 460 R C 2.036 178.397 176.300 0.101 0.000 1.134 460 R CA 2.288 58.466 56.100 0.129 0.000 0.952 460 R CB -0.424 29.948 30.300 0.120 0.000 0.850 460 R HN 0.485 nan 8.270 nan 0.000 0.433 461 D N 0.223 120.683 120.400 0.099 0.000 2.123 461 D HA -0.196 4.487 4.640 0.072 0.000 0.196 461 D C 1.762 178.103 176.300 0.070 0.000 0.992 461 D CA 1.478 55.527 54.000 0.081 0.000 0.833 461 D CB -0.229 40.621 40.800 0.084 0.000 0.954 461 D HN 0.335 nan 8.370 nan 0.000 0.455 462 E N 0.328 120.570 120.200 0.071 0.000 2.110 462 E HA -0.119 4.274 4.350 0.072 0.000 0.193 462 E C 1.960 178.592 176.600 0.054 0.000 0.988 462 E CA 0.605 57.038 56.400 0.056 0.000 0.804 462 E CB -0.180 29.549 29.700 0.048 0.000 0.745 462 E HN 0.042 nan 8.360 nan 0.000 0.458 463 V N 0.267 120.221 119.914 0.067 0.000 2.287 463 V HA -0.237 3.926 4.120 0.072 0.000 0.248 463 V C 2.231 178.358 176.094 0.054 0.000 1.053 463 V CA 2.029 64.368 62.300 0.065 0.000 1.027 463 V CB -1.127 30.746 31.823 0.084 0.000 0.646 463 V HN 0.533 nan 8.190 nan 0.000 0.447 464 G N -0.270 108.563 108.800 0.055 0.000 2.480 464 G HA2 -0.247 3.756 3.960 0.072 0.000 0.216 464 G HA3 -0.247 3.756 3.960 0.072 0.000 0.216 464 G C 1.669 176.592 174.900 0.039 0.000 1.200 464 G CA 0.903 46.030 45.100 0.045 0.000 0.782 464 G HN 0.432 nan 8.290 nan 0.000 0.554 465 R N 0.340 120.864 120.500 0.039 0.000 2.097 465 R HA -0.032 4.351 4.340 0.072 0.000 0.236 465 R C 1.072 177.389 176.300 0.029 0.000 1.135 465 R CA 1.136 57.255 56.100 0.033 0.000 0.934 465 R CB -0.347 29.974 30.300 0.034 0.000 0.846 465 R HN 0.321 nan 8.270 nan 0.000 0.431 466 E N 0.000 120.219 120.200 0.031 0.000 2.725 466 E HA 0.000 4.393 4.350 0.072 0.000 0.291 466 E CA 0.000 56.416 56.400 0.027 0.000 0.976 466 E CB 0.000 29.716 29.700 0.026 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440