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_C 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 3.961 3.960 0.002 0.000 0.244 -1 G C 0.000 174.867 174.900 -0.055 0.000 0.946 -1 G CA 0.000 45.074 45.100 -0.044 0.000 0.502 0 A N 1.269 124.038 122.820 -0.086 0.000 2.923 0 A HA 0.793 5.115 4.320 0.002 0.000 0.343 0 A C -0.309 177.178 177.584 -0.163 0.000 1.199 0 A CA -0.228 51.751 52.037 -0.097 0.000 0.878 0 A CB -0.049 18.900 19.000 -0.084 0.000 1.104 0 A HN 0.308 nan 8.150 nan 0.000 0.483 1 L N 1.088 122.188 121.223 -0.206 0.000 2.334 1 L HA 0.728 5.070 4.340 0.002 0.000 0.276 1 L C 0.194 176.879 176.870 -0.310 0.000 1.014 1 L CA -0.592 53.990 54.840 -0.430 0.000 0.815 1 L CB 1.984 43.589 42.059 -0.757 0.000 1.268 1 L HN 0.586 nan 8.230 nan 0.000 0.428 2 R N 1.074 121.400 120.500 -0.290 0.000 2.651 2 R HA 0.594 4.936 4.340 0.002 0.000 0.278 2 R C -1.361 175.078 176.300 0.231 0.000 1.010 2 R CA -0.701 55.416 56.100 0.028 0.000 0.896 2 R CB 2.421 32.748 30.300 0.046 0.000 1.211 2 R HN 0.529 nan 8.270 nan 0.000 0.456 3 S N 2.114 117.994 115.700 0.301 0.000 2.475 3 S HA 0.409 4.880 4.470 0.002 0.000 0.298 3 S C -0.999 173.649 174.600 0.079 0.000 1.119 3 S CA -0.722 57.621 58.200 0.239 0.000 1.085 3 S CB 1.385 64.681 63.200 0.159 0.000 1.028 3 S HN 0.359 nan 8.310 nan 0.000 0.489 4 L N 4.460 125.610 121.223 -0.121 0.000 2.282 4 L HA 0.614 4.955 4.340 0.002 0.000 0.288 4 L C -1.061 175.700 176.870 -0.182 0.000 1.033 4 L CA -0.310 54.306 54.840 -0.373 0.000 0.807 4 L CB 1.032 42.638 42.059 -0.755 0.000 1.209 4 L HN 0.453 nan 8.230 nan 0.000 0.423 5 V N 6.508 126.340 119.914 -0.136 0.000 2.398 5 V HA 0.441 4.563 4.120 0.002 0.000 0.286 5 V C -0.022 176.017 176.094 -0.093 0.000 1.026 5 V CA -0.619 61.628 62.300 -0.088 0.000 0.868 5 V CB 1.456 33.251 31.823 -0.046 0.000 0.982 5 V HN 0.583 nan 8.190 nan 0.000 0.443 6 L N 5.627 126.791 121.223 -0.099 0.000 2.296 6 L HA 0.591 4.933 4.340 0.002 0.000 0.286 6 L C -0.718 176.078 176.870 -0.124 0.000 1.023 6 L CA -0.561 54.223 54.840 -0.093 0.000 0.812 6 L CB 1.635 43.639 42.059 -0.092 0.000 1.223 6 L HN 0.388 nan 8.230 nan 0.000 0.421 7 I N 2.554 123.096 120.570 -0.047 0.000 2.339 7 I HA 0.480 4.651 4.170 0.002 0.000 0.290 7 I C 0.629 176.780 176.117 0.058 0.000 0.994 7 I CA -0.009 61.277 61.300 -0.024 0.000 1.191 7 I CB 1.385 39.452 38.000 0.111 0.000 1.343 7 I HN 0.633 nan 8.210 nan 0.000 0.458 8 G N 3.319 112.054 108.800 -0.110 0.000 2.597 8 G HA2 0.315 4.277 3.960 0.002 0.000 0.317 8 G HA3 0.315 4.277 3.960 0.002 0.000 0.317 8 G C 0.438 175.526 174.900 0.312 0.000 1.230 8 G CA -0.231 44.874 45.100 0.008 0.000 0.996 8 G HN 0.713 nan 8.290 nan 0.000 0.490 9 H N -0.566 118.550 119.070 0.078 0.000 2.343 9 H HA 0.290 4.848 4.556 0.003 0.000 0.303 9 H C 1.732 177.303 175.328 0.406 0.000 1.068 9 H CA 2.018 58.302 56.048 0.394 0.000 1.359 9 H CB -0.251 29.649 29.762 0.230 0.000 1.402 9 H HN 1.150 nan 8.280 nan 0.000 0.515 10 G N -0.331 108.729 108.800 0.434 0.000 2.877 10 G HA2 -0.125 3.837 3.960 0.002 0.000 0.279 10 G HA3 -0.125 3.837 3.960 0.002 0.000 0.279 10 G C -0.536 174.457 174.900 0.155 0.000 1.431 10 G CA 0.159 45.355 45.100 0.160 0.000 0.883 10 G HN 0.811 nan 8.290 nan 0.000 0.547 11 S N -2.115 113.619 115.700 0.056 0.000 2.543 11 S HA 0.563 5.034 4.470 0.002 0.000 0.274 11 S C 0.568 175.238 174.600 0.117 0.000 1.149 11 S CA 0.307 58.505 58.200 -0.002 0.000 0.866 11 S CB 1.080 64.213 63.200 -0.112 0.000 1.111 11 S HN 0.955 nan 8.310 nan 0.000 0.457 12 H N 2.207 121.205 119.070 -0.120 0.000 2.491 12 H HA 0.177 4.735 4.556 0.002 0.000 0.290 12 H C 1.214 176.265 175.328 -0.463 0.000 1.050 12 H CA 1.635 57.497 56.048 -0.309 0.000 1.309 12 H CB 0.078 29.547 29.762 -0.488 0.000 1.392 12 H HN 0.565 nan 8.280 nan 0.000 0.554 13 H N -1.616 117.408 119.070 -0.076 0.000 3.266 13 H HA 0.154 4.711 4.556 0.002 0.000 0.246 13 H C -0.061 174.835 175.328 -0.720 0.000 0.998 13 H CA 0.046 55.868 56.048 -0.376 0.000 1.152 13 H CB 1.218 30.622 29.762 -0.596 0.000 1.466 13 H HN 0.269 nan 8.280 nan 0.000 0.481 14 H N -0.149 118.695 119.070 -0.377 0.000 2.547 14 H HA 0.244 4.801 4.556 0.003 0.000 0.342 14 H C 1.051 175.694 175.328 -1.141 0.000 1.048 14 H CA -0.078 55.651 56.048 -0.532 0.000 1.204 14 H CB 1.902 31.495 29.762 -0.282 0.000 1.493 14 H HN 0.303 nan 8.280 nan 0.000 0.511 15 G N 2.263 110.347 108.800 -1.194 0.000 2.484 15 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 15 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 15 G C 1.355 175.798 174.900 -0.762 0.000 1.130 15 G CA 0.182 44.278 45.100 -1.673 0.000 0.784 15 G HN 0.631 nan 8.290 nan 0.000 0.543 16 E N 1.466 121.377 120.200 -0.482 0.000 2.153 16 E HA -0.111 4.240 4.350 0.002 0.000 0.194 16 E C 2.094 178.371 176.600 -0.538 0.000 0.988 16 E CA 1.357 57.551 56.400 -0.344 0.000 0.811 16 E CB -0.764 28.824 29.700 -0.186 0.000 0.746 16 E HN 0.350 nan 8.360 nan 0.000 0.466 17 S N 0.955 116.215 115.700 -0.734 0.000 2.507 17 S HA 0.123 4.595 4.470 0.002 0.000 0.235 17 S C 1.795 176.153 174.600 -0.404 0.000 0.988 17 S CA 0.782 58.431 58.200 -0.917 0.000 0.944 17 S CB 0.072 62.944 63.200 -0.547 0.000 0.762 17 S HN 0.516 nan 8.310 nan 0.000 0.526 18 A N 1.051 123.695 122.820 -0.294 0.000 2.288 18 A HA 0.328 4.650 4.320 0.002 0.000 0.216 18 A C 1.873 179.458 177.584 0.002 0.000 1.199 18 A CA -0.049 51.932 52.037 -0.093 0.000 0.891 18 A CB -0.148 18.718 19.000 -0.223 0.000 0.923 18 A HN 0.342 nan 8.150 nan 0.000 0.500 19 R N 0.197 120.646 120.500 -0.085 0.000 2.096 19 R HA -0.075 4.266 4.340 0.002 0.000 0.235 19 R C 2.105 178.410 176.300 0.008 0.000 1.127 19 R CA 1.568 57.651 56.100 -0.028 0.000 0.968 19 R CB -0.274 29.992 30.300 -0.056 0.000 0.861 19 R HN 0.410 nan 8.270 nan 0.000 0.440 20 A N -0.424 122.399 122.820 0.005 0.000 1.898 20 A HA -0.101 4.221 4.320 0.002 0.000 0.216 20 A C 2.123 179.721 177.584 0.025 0.000 1.181 20 A CA 1.872 53.917 52.037 0.013 0.000 0.620 20 A CB -0.787 18.218 19.000 0.007 0.000 0.819 20 A HN 0.428 nan 8.150 nan 0.000 0.442 21 T N 0.213 114.804 114.554 0.061 0.000 2.708 21 T HA -0.172 4.179 4.350 0.002 0.000 0.266 21 T C 2.070 176.822 174.700 0.086 0.000 1.037 21 T CA 1.762 63.906 62.100 0.072 0.000 1.146 21 T CB -0.284 68.661 68.868 0.128 0.000 0.865 21 T HN 0.621 nan 8.240 nan 0.000 0.435 22 Q N 0.693 120.570 119.800 0.128 0.000 2.124 22 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 22 Q C 2.596 178.626 176.000 0.050 0.000 0.977 22 Q CA 1.174 57.038 55.803 0.102 0.000 0.850 22 Q CB -0.182 28.618 28.738 0.103 0.000 0.901 22 Q HN 0.601 nan 8.270 nan 0.000 0.429 23 Q N -0.061 119.759 119.800 0.033 0.000 2.030 23 Q HA -0.172 4.169 4.340 0.002 0.000 0.204 23 Q C 2.271 178.274 176.000 0.005 0.000 0.986 23 Q CA 1.757 57.567 55.803 0.013 0.000 0.843 23 Q CB -0.130 28.610 28.738 0.003 0.000 0.904 23 Q HN 0.218 nan 8.270 nan 0.000 0.420 24 V N 0.942 120.858 119.914 0.003 0.000 2.343 24 V HA -0.306 3.816 4.120 0.002 0.000 0.247 24 V C 2.276 178.367 176.094 -0.006 0.000 1.051 24 V CA 1.790 64.087 62.300 -0.006 0.000 1.036 24 V CB -1.109 30.706 31.823 -0.014 0.000 0.654 24 V HN 0.436 nan 8.190 nan 0.000 0.451 25 A N -0.306 122.514 122.820 -0.000 0.000 1.892 25 A HA -0.325 3.996 4.320 0.002 0.000 0.218 25 A C 2.311 179.898 177.584 0.006 0.000 1.188 25 A CA 2.298 54.334 52.037 -0.001 0.000 0.631 25 A CB -0.563 18.443 19.000 0.010 0.000 0.822 25 A HN 0.648 nan 8.150 nan 0.000 0.447 26 E N -0.439 119.768 120.200 0.011 0.000 2.106 26 E HA -0.044 4.308 4.350 0.002 0.000 0.192 26 E C 2.096 178.702 176.600 0.010 0.000 0.984 26 E CA 0.855 57.262 56.400 0.011 0.000 0.806 26 E CB -0.233 29.474 29.700 0.012 0.000 0.750 26 E HN 0.545 nan 8.360 nan 0.000 0.458 27 A N 1.044 123.867 122.820 0.006 0.000 1.898 27 A HA -0.120 4.201 4.320 0.002 0.000 0.216 27 A C 2.167 179.760 177.584 0.015 0.000 1.181 27 A CA 0.967 53.007 52.037 0.006 0.000 0.620 27 A CB -0.568 18.430 19.000 -0.004 0.000 0.819 27 A HN 0.296 nan 8.150 nan 0.000 0.442 28 L N -1.128 120.103 121.223 0.014 0.000 2.093 28 L HA -0.164 4.177 4.340 0.002 0.000 0.208 28 L C 2.841 179.733 176.870 0.037 0.000 1.085 28 L CA 1.244 56.100 54.840 0.027 0.000 0.755 28 L CB -0.519 41.548 42.059 0.014 0.000 0.904 28 L HN 0.364 nan 8.230 nan 0.000 0.435 29 R N 0.095 120.611 120.500 0.026 0.000 2.091 29 R HA -0.126 4.215 4.340 0.002 0.000 0.238 29 R C 2.414 178.729 176.300 0.027 0.000 1.136 29 R CA 1.275 57.391 56.100 0.027 0.000 0.959 29 R CB -0.844 29.468 30.300 0.019 0.000 0.856 29 R HN 0.437 nan 8.270 nan 0.000 0.437 30 G N 1.521 110.336 108.800 0.025 0.000 2.529 30 G HA2 -0.320 3.642 3.960 0.002 0.000 0.219 30 G HA3 -0.320 3.642 3.960 0.002 0.000 0.219 30 G C 1.378 176.299 174.900 0.036 0.000 1.177 30 G CA 0.898 46.014 45.100 0.026 0.000 0.773 30 G HN 0.299 nan 8.290 nan 0.000 0.573 31 R N 0.239 120.770 120.500 0.051 0.000 2.096 31 R HA -0.047 4.294 4.340 0.002 0.000 0.235 31 R C 2.913 179.242 176.300 0.048 0.000 1.127 31 R CA 0.979 57.127 56.100 0.081 0.000 0.968 31 R CB -0.682 29.678 30.300 0.100 0.000 0.861 31 R HN 0.379 nan 8.270 nan 0.000 0.440 32 G N 1.481 110.303 108.800 0.038 0.000 2.418 32 G HA2 -0.228 3.733 3.960 0.002 0.000 0.217 32 G HA3 -0.228 3.733 3.960 0.002 0.000 0.217 32 G C 1.476 176.369 174.900 -0.012 0.000 1.158 32 G CA 0.380 45.490 45.100 0.017 0.000 0.771 32 G HN 0.136 nan 8.290 nan 0.000 0.545 33 L N 0.539 121.760 121.223 -0.003 0.000 2.131 33 L HA -0.060 4.281 4.340 0.002 0.000 0.210 33 L C 3.239 180.084 176.870 -0.043 0.000 1.092 33 L CA 1.000 55.832 54.840 -0.014 0.000 0.759 33 L CB -0.194 41.865 42.059 0.001 0.000 0.903 33 L HN 0.335 nan 8.230 nan 0.000 0.435 34 A N -0.984 121.803 122.820 -0.055 0.000 2.123 34 A HA 0.227 4.548 4.320 0.002 0.000 0.214 34 A C 1.728 179.119 177.584 -0.321 0.000 1.152 34 A CA 0.881 52.848 52.037 -0.117 0.000 0.728 34 A CB -0.243 18.748 19.000 -0.014 0.000 0.814 34 A HN 0.520 nan 8.150 nan 0.000 0.464 35 G N -1.681 106.959 108.800 -0.266 0.000 2.141 35 G HA2 -0.235 3.727 3.960 0.002 0.000 0.231 35 G HA3 -0.235 3.727 3.960 0.002 0.000 0.231 35 G C 0.062 174.756 174.900 -0.344 0.000 0.984 35 G CA 0.440 45.360 45.100 -0.301 0.000 0.660 35 G HN 0.774 nan 8.290 nan 0.000 0.525 36 H N -1.132 117.936 119.070 -0.004 0.000 2.502 36 H HA 0.595 5.152 4.556 0.003 0.000 0.268 36 H C -0.169 175.161 175.328 0.003 0.000 1.177 36 H CA -0.530 55.515 56.048 -0.005 0.000 0.961 36 H CB 0.821 30.583 29.762 -0.001 0.000 1.737 36 H HN 0.247 nan 8.280 nan 0.000 0.569 37 L N 2.212 123.479 121.223 0.072 0.000 2.356 37 L HA 0.376 4.717 4.340 0.002 0.000 0.277 37 L C -1.913 174.952 176.870 -0.007 0.000 0.996 37 L CA -2.166 52.717 54.840 0.072 0.000 0.822 37 L CB 1.693 43.809 42.059 0.097 0.000 1.256 37 L HN -0.023 nan 8.230 nan 0.000 0.413 38 P HA 0.079 nan 4.420 nan 0.000 0.256 38 P C -1.169 175.699 177.300 -0.720 0.000 1.335 38 P CA 0.513 63.411 63.100 -0.337 0.000 0.808 38 P CB -0.294 31.181 31.700 -0.375 0.000 1.305 39 Y N -0.837 119.445 120.300 -0.029 0.000 2.536 39 Y HA 0.285 4.836 4.550 0.002 0.000 0.347 39 Y C 1.364 177.239 175.900 -0.042 0.000 1.000 39 Y CA -0.827 57.252 58.100 -0.035 0.000 1.051 39 Y CB 1.468 39.922 38.460 -0.009 0.000 1.259 39 Y HN -0.263 nan 8.280 nan 0.000 0.468 40 D N 0.780 121.227 120.400 0.078 0.000 2.354 40 D HA 0.010 4.651 4.640 0.002 0.000 0.209 40 D C -0.170 176.237 176.300 0.178 0.000 1.015 40 D CA 0.718 54.738 54.000 0.033 0.000 0.867 40 D CB 0.750 41.413 40.800 -0.227 0.000 0.933 40 D HN 0.796 nan 8.370 nan 0.000 0.520 41 E N -0.868 119.461 120.200 0.216 0.000 2.401 41 E HA 0.440 4.792 4.350 0.002 0.000 0.280 41 E C -1.566 175.086 176.600 0.087 0.000 1.039 41 E CA -0.905 55.582 56.400 0.144 0.000 0.814 41 E CB 1.810 31.589 29.700 0.131 0.000 1.275 41 E HN -0.276 nan 8.360 nan 0.000 0.448 42 V N 2.306 122.237 119.914 0.028 0.000 2.447 42 V HA 0.402 4.523 4.120 0.002 0.000 0.292 42 V C -0.418 175.663 176.094 -0.022 0.000 1.021 42 V CA -0.548 61.739 62.300 -0.021 0.000 0.850 42 V CB 0.881 32.690 31.823 -0.023 0.000 1.005 42 V HN 0.588 nan 8.190 nan 0.000 0.426 43 L N 3.649 124.851 121.223 -0.036 0.000 2.313 43 L HA 0.724 5.066 4.340 0.002 0.000 0.268 43 L C -0.130 176.713 176.870 -0.043 0.000 1.010 43 L CA -0.761 54.063 54.840 -0.025 0.000 0.814 43 L CB 2.407 44.453 42.059 -0.020 0.000 1.304 43 L HN 0.584 nan 8.230 nan 0.000 0.441 44 E N -0.336 119.845 120.200 -0.032 0.000 2.244 44 E HA 0.705 5.057 4.350 0.002 0.000 0.266 44 E C -0.649 175.859 176.600 -0.152 0.000 0.914 44 E CA -0.722 55.605 56.400 -0.121 0.000 0.794 44 E CB 2.370 32.044 29.700 -0.044 0.000 1.210 44 E HN 0.694 nan 8.360 nan 0.000 0.414 45 G N 0.943 109.530 108.800 -0.354 0.000 2.660 45 G HA2 0.589 4.551 3.960 0.002 0.000 0.294 45 G HA3 0.589 4.551 3.960 0.002 0.000 0.294 45 G C -1.861 172.700 174.900 -0.566 0.000 1.369 45 G CA -0.464 44.486 45.100 -0.250 0.000 0.912 45 G HN 0.351 nan 8.290 nan 0.000 0.479 46 Y N -0.631 119.756 120.300 0.144 0.000 2.492 46 Y HA 0.358 4.909 4.550 0.002 0.000 0.346 46 Y C 0.328 176.378 175.900 0.250 0.000 0.997 46 Y CA -0.896 57.319 58.100 0.193 0.000 1.025 46 Y CB 2.101 40.658 38.460 0.161 0.000 1.263 46 Y HN 0.699 nan 8.280 nan 0.000 0.454 47 W N 1.758 123.162 121.300 0.173 0.000 2.353 47 W HA -0.125 4.537 4.660 0.002 0.000 0.319 47 W C 1.105 177.661 176.519 0.063 0.000 1.207 47 W CA 1.939 59.312 57.345 0.046 0.000 1.291 47 W CB 0.101 29.506 29.460 -0.092 0.000 1.159 47 W HN 0.502 nan 8.180 nan 0.000 0.478 48 Q N 0.388 120.224 119.800 0.060 0.000 2.204 48 Q HA 0.127 4.469 4.340 0.002 0.000 0.209 48 Q C -0.166 175.909 176.000 0.126 0.000 0.861 48 Q CA 0.282 56.013 55.803 -0.119 0.000 0.971 48 Q CB 0.394 28.923 28.738 -0.348 0.000 1.095 48 Q HN 0.591 nan 8.270 nan 0.000 0.486 49 Q N -1.712 118.194 119.800 0.175 0.000 2.685 49 Q HA 0.447 4.788 4.340 0.002 0.000 0.301 49 Q C -1.139 174.950 176.000 0.148 0.000 0.924 49 Q CA -0.842 55.028 55.803 0.111 0.000 0.755 49 Q CB 1.079 29.852 28.738 0.059 0.000 1.470 49 Q HN -0.100 nan 8.270 nan 0.000 0.434 50 E N 1.722 121.957 120.200 0.058 0.000 2.331 50 E HA 0.289 4.640 4.350 0.002 0.000 0.272 50 E C -2.218 174.476 176.600 0.156 0.000 1.036 50 E CA -1.932 54.530 56.400 0.103 0.000 0.864 50 E CB 0.830 30.549 29.700 0.032 0.000 1.035 50 E HN 0.341 nan 8.360 nan 0.000 0.408 51 P HA 0.039 nan 4.420 nan 0.000 0.271 51 P C -0.258 177.181 177.300 0.232 0.000 1.226 51 P CA -0.060 63.167 63.100 0.213 0.000 0.765 51 P CB 0.820 32.632 31.700 0.187 0.000 0.835 52 G N 2.156 111.057 108.800 0.168 0.000 2.502 52 G HA2 0.340 4.301 3.960 0.002 0.000 0.305 52 G HA3 0.340 4.301 3.960 0.002 0.000 0.305 52 G C 1.005 175.979 174.900 0.123 0.000 1.190 52 G CA -0.845 44.355 45.100 0.166 0.000 0.933 52 G HN 0.386 nan 8.290 nan 0.000 0.503 53 L N -0.039 121.256 121.223 0.120 0.000 2.046 53 L HA -0.061 4.280 4.340 0.002 0.000 0.208 53 L C 3.011 179.902 176.870 0.036 0.000 1.077 53 L CA 0.695 55.569 54.840 0.058 0.000 0.747 53 L CB -0.258 41.820 42.059 0.031 0.000 0.896 53 L HN 0.361 nan 8.230 nan 0.000 0.432 54 R N 0.381 120.912 120.500 0.051 0.000 2.193 54 R HA -0.122 4.219 4.340 0.002 0.000 0.229 54 R C 1.832 178.170 176.300 0.062 0.000 1.110 54 R CA 1.008 57.135 56.100 0.044 0.000 0.988 54 R CB -0.358 29.969 30.300 0.045 0.000 0.871 54 R HN 0.602 nan 8.270 nan 0.000 0.458 55 Q N -0.619 119.227 119.800 0.078 0.000 2.352 55 Q HA 0.112 4.453 4.340 0.002 0.000 0.212 55 Q C 1.831 177.887 176.000 0.093 0.000 0.888 55 Q CA -0.006 55.854 55.803 0.095 0.000 0.934 55 Q CB 0.471 29.276 28.738 0.111 0.000 1.093 55 Q HN 0.011 nan 8.270 nan 0.000 0.523 56 V N 0.935 120.890 119.914 0.070 0.000 2.591 56 V HA -0.119 4.002 4.120 0.002 0.000 0.249 56 V C 1.741 177.865 176.094 0.050 0.000 1.053 56 V CA 1.252 63.587 62.300 0.059 0.000 1.068 56 V CB -0.046 31.796 31.823 0.031 0.000 0.689 56 V HN 0.353 nan 8.190 nan 0.000 0.462 57 L N -0.046 121.202 121.223 0.043 0.000 2.217 57 L HA -0.055 4.286 4.340 0.002 0.000 0.211 57 L C 2.577 179.482 176.870 0.059 0.000 1.107 57 L CA 1.416 56.277 54.840 0.035 0.000 0.783 57 L CB -0.613 41.461 42.059 0.025 0.000 0.919 57 L HN 0.313 nan 8.230 nan 0.000 0.442 58 R N 0.868 121.425 120.500 0.096 0.000 2.193 58 R HA -0.145 4.197 4.340 0.002 0.000 0.229 58 R C 1.959 178.389 176.300 0.217 0.000 1.110 58 R CA 1.828 58.017 56.100 0.149 0.000 0.988 58 R CB -0.338 30.052 30.300 0.150 0.000 0.871 58 R HN 0.406 nan 8.270 nan 0.000 0.458 59 T N -2.447 112.210 114.554 0.171 0.000 3.069 59 T HA 0.182 4.534 4.350 0.002 0.000 0.252 59 T C 0.563 175.284 174.700 0.036 0.000 1.053 59 T CA 0.022 62.271 62.100 0.248 0.000 0.964 59 T CB -0.158 68.838 68.868 0.214 0.000 1.005 59 T HN 0.078 nan 8.240 nan 0.000 0.532 60 V N 0.154 119.993 119.914 -0.126 0.000 2.614 60 V HA 0.800 4.921 4.120 0.002 0.000 0.291 60 V C 1.485 177.159 176.094 -0.700 0.000 1.049 60 V CA -0.318 61.813 62.300 -0.281 0.000 1.038 60 V CB 0.448 32.196 31.823 -0.126 0.000 0.980 60 V HN 0.277 nan 8.190 nan 0.000 0.481 61 A N 3.183 125.497 122.820 -0.845 0.000 2.123 61 A HA 0.325 4.646 4.320 0.002 0.000 0.214 61 A C 0.621 177.648 177.584 -0.929 0.000 1.152 61 A CA 0.678 52.014 52.037 -1.168 0.000 0.728 61 A CB -0.383 17.897 19.000 -1.199 0.000 0.814 61 A HN 0.919 nan 8.150 nan 0.000 0.464 62 Y N -1.924 118.287 120.300 -0.149 0.000 2.605 62 Y HA 0.401 4.953 4.550 0.002 0.000 0.343 62 Y C 1.363 177.240 175.900 -0.038 0.000 1.036 62 Y CA -0.816 57.247 58.100 -0.062 0.000 1.065 62 Y CB 1.361 39.803 38.460 -0.031 0.000 1.288 62 Y HN 0.042 nan 8.280 nan 0.000 0.481 63 S N -1.609 114.188 115.700 0.160 0.000 2.558 63 S HA 0.048 4.520 4.470 0.002 0.000 0.217 63 S C -0.110 174.536 174.600 0.076 0.000 0.975 63 S CA 0.190 58.441 58.200 0.085 0.000 0.912 63 S CB 0.091 63.333 63.200 0.069 0.000 0.776 63 S HN 0.650 nan 8.310 nan 0.000 0.526 64 D N 1.274 121.735 120.400 0.101 0.000 2.425 64 D HA 0.424 5.065 4.640 0.002 0.000 0.240 64 D C -1.477 174.886 176.300 0.106 0.000 1.080 64 D CA -0.309 53.741 54.000 0.082 0.000 0.836 64 D CB 2.045 42.882 40.800 0.061 0.000 1.125 64 D HN 0.105 nan 8.370 nan 0.000 0.525 65 V N 3.350 123.313 119.914 0.082 0.000 2.656 65 V HA 0.582 4.703 4.120 0.002 0.000 0.307 65 V C -0.847 175.283 176.094 0.060 0.000 1.051 65 V CA -0.207 62.136 62.300 0.072 0.000 0.893 65 V CB 2.168 34.018 31.823 0.044 0.000 0.999 65 V HN 0.580 nan 8.190 nan 0.000 0.426 66 T N 5.986 120.563 114.554 0.037 0.000 2.792 66 T HA 0.588 4.940 4.350 0.002 0.000 0.280 66 T C -0.696 173.979 174.700 -0.042 0.000 0.990 66 T CA -0.330 61.773 62.100 0.005 0.000 0.960 66 T CB 1.425 70.297 68.868 0.006 0.000 0.939 66 T HN 0.555 nan 8.240 nan 0.000 0.439 67 V N 4.182 124.096 119.914 -0.001 0.000 2.357 67 V HA 0.464 4.585 4.120 0.002 0.000 0.284 67 V C -0.228 175.844 176.094 -0.036 0.000 1.018 67 V CA -0.736 61.576 62.300 0.019 0.000 0.841 67 V CB 1.532 33.439 31.823 0.140 0.000 0.991 67 V HN 0.703 nan 8.190 nan 0.000 0.437 68 V N 7.605 127.479 119.914 -0.066 0.000 2.409 68 V HA 0.411 4.533 4.120 0.002 0.000 0.291 68 V C -2.463 173.614 176.094 -0.029 0.000 1.020 68 V CA -2.147 60.095 62.300 -0.098 0.000 0.848 68 V CB 2.090 33.853 31.823 -0.099 0.000 0.990 68 V HN 0.720 nan 8.190 nan 0.000 0.430 69 P HA 0.181 nan 4.420 nan 0.000 0.282 69 P C -0.280 177.153 177.300 0.222 0.000 1.274 69 P CA -0.094 63.107 63.100 0.168 0.000 0.770 69 P CB 0.796 32.559 31.700 0.104 0.000 0.867 70 V N 5.672 125.713 119.914 0.211 0.000 2.096 70 V HA 0.279 4.400 4.120 0.002 0.000 0.259 70 V C -0.254 175.787 176.094 -0.088 0.000 1.420 70 V CA 0.310 62.624 62.300 0.024 0.000 1.336 70 V CB -1.764 30.026 31.823 -0.056 0.000 1.394 70 V HN 0.435 nan 8.190 nan 0.000 0.494 71 F N 1.232 121.185 119.950 0.005 0.000 2.599 71 F HA 0.508 5.037 4.527 0.002 0.000 0.311 71 F C 0.566 176.351 175.800 -0.025 0.000 1.076 71 F CA -0.710 57.302 58.000 0.020 0.000 0.937 71 F CB 2.455 41.486 39.000 0.052 0.000 1.282 71 F HN -0.015 nan 8.300 nan 0.000 0.460 72 L N 0.843 122.125 121.223 0.097 0.000 2.664 72 L HA 0.213 4.555 4.340 0.002 0.000 0.233 72 L C 0.321 177.289 176.870 0.163 0.000 1.113 72 L CA 0.153 54.966 54.840 -0.044 0.000 0.896 72 L CB 0.085 41.845 42.059 -0.499 0.000 1.163 72 L HN 0.590 nan 8.230 nan 0.000 0.497 73 S N -1.216 114.603 115.700 0.199 0.000 2.648 73 S HA 0.479 4.950 4.470 0.002 0.000 0.305 73 S C -0.560 174.123 174.600 0.138 0.000 1.094 73 S CA -0.693 57.618 58.200 0.185 0.000 0.983 73 S CB 2.565 65.870 63.200 0.174 0.000 1.101 73 S HN 0.109 nan 8.310 nan 0.000 0.514 74 E N 0.089 120.350 120.200 0.101 0.000 2.149 74 E HA 0.597 4.949 4.350 0.002 0.000 0.255 74 E C 0.054 176.687 176.600 0.054 0.000 0.888 74 E CA -0.325 56.111 56.400 0.059 0.000 0.742 74 E CB 0.401 30.134 29.700 0.054 0.000 1.164 74 E HN 0.965 nan 8.360 nan 0.000 0.422 75 G N 2.293 111.114 108.800 0.036 0.000 2.565 75 G HA2 -0.144 3.818 3.960 0.002 0.000 0.142 75 G HA3 -0.144 3.818 3.960 0.002 0.000 0.142 75 G C -0.223 174.707 174.900 0.050 0.000 1.181 75 G CA -0.074 45.062 45.100 0.060 0.000 1.066 75 G HN 0.437 nan 8.290 nan 0.000 0.530 76 Y N 1.038 121.318 120.300 -0.033 0.000 2.002 76 Y HA -0.221 4.330 4.550 0.002 0.000 0.268 76 Y C 2.892 178.698 175.900 -0.155 0.000 1.177 76 Y CA 3.202 61.264 58.100 -0.064 0.000 1.111 76 Y CB -0.732 37.715 38.460 -0.022 0.000 0.952 76 Y HN 0.114 nan 8.280 nan 0.000 0.491 77 V N 0.121 119.804 119.914 -0.385 0.000 2.295 77 V HA -0.334 3.787 4.120 0.002 0.000 0.246 77 V C 2.549 178.247 176.094 -0.659 0.000 1.049 77 V CA 2.789 64.649 62.300 -0.734 0.000 1.024 77 V CB -1.470 30.040 31.823 -0.522 0.000 0.648 77 V HN 0.739 nan 8.190 nan 0.000 0.447 78 T N -2.348 111.947 114.554 -0.431 0.000 2.985 78 T HA -0.052 4.300 4.350 0.002 0.000 0.266 78 T C 1.519 176.168 174.700 -0.085 0.000 1.076 78 T CA 1.286 63.221 62.100 -0.276 0.000 1.135 78 T CB -0.107 68.650 68.868 -0.185 0.000 0.890 78 T HN 0.603 nan 8.240 nan 0.000 0.480 79 E N 0.332 120.469 120.200 -0.104 0.000 2.290 79 E HA 0.082 4.433 4.350 0.002 0.000 0.197 79 E C 1.854 178.405 176.600 -0.082 0.000 0.948 79 E CA 0.812 57.208 56.400 -0.006 0.000 0.895 79 E CB 0.369 30.084 29.700 0.025 0.000 0.865 79 E HN 0.485 nan 8.360 nan 0.000 0.486 80 T N 0.291 114.716 114.554 -0.214 0.000 3.053 80 T HA 0.018 4.369 4.350 0.002 0.000 0.236 80 T C 2.116 176.575 174.700 -0.402 0.000 0.996 80 T CA 0.290 62.235 62.100 -0.259 0.000 1.185 80 T CB -0.069 68.672 68.868 -0.210 0.000 0.892 80 T HN -0.104 nan 8.240 nan 0.000 0.432 81 V N 2.153 121.672 119.914 -0.659 0.000 2.283 81 V HA -0.008 4.113 4.120 0.002 0.000 0.243 81 V C 2.534 178.264 176.094 -0.607 0.000 1.039 81 V CA 1.413 63.270 62.300 -0.738 0.000 1.016 81 V CB -0.738 30.345 31.823 -1.235 0.000 0.650 81 V HN 0.370 nan 8.190 nan 0.000 0.449 82 L N 0.067 120.921 121.223 -0.616 0.000 2.056 82 L HA -0.070 4.271 4.340 0.002 0.000 0.207 82 L C -0.073 176.490 176.870 -0.512 0.000 1.078 82 L CA 1.480 56.014 54.840 -0.510 0.000 0.749 82 L CB -2.060 39.758 42.059 -0.401 0.000 0.901 82 L HN 0.381 nan 8.230 nan 0.000 0.433 83 P HA -0.138 nan 4.420 nan 0.000 0.219 83 P C 1.510 178.628 177.300 -0.304 0.000 1.150 83 P CA 1.144 63.925 63.100 -0.530 0.000 0.814 83 P CB -0.112 31.349 31.700 -0.399 0.000 0.787 84 R N 0.537 120.882 120.500 -0.258 0.000 2.073 84 R HA -0.140 4.202 4.340 0.002 0.000 0.234 84 R C 1.914 178.115 176.300 -0.166 0.000 1.134 84 R CA 1.431 57.420 56.100 -0.185 0.000 0.952 84 R CB -0.378 29.817 30.300 -0.174 0.000 0.850 84 R HN 0.041 nan 8.270 nan 0.000 0.433 85 E N 0.456 120.540 120.200 -0.194 0.000 2.152 85 E HA -0.123 4.229 4.350 0.002 0.000 0.192 85 E C 1.878 178.410 176.600 -0.112 0.000 0.983 85 E CA 0.608 56.930 56.400 -0.130 0.000 0.818 85 E CB -0.007 29.624 29.700 -0.115 0.000 0.758 85 E HN 0.251 nan 8.360 nan 0.000 0.467 86 L N -0.162 120.962 121.223 -0.164 0.000 2.376 86 L HA 0.060 4.401 4.340 0.002 0.000 0.219 86 L C 1.475 178.278 176.870 -0.111 0.000 1.133 86 L CA 1.333 56.088 54.840 -0.141 0.000 0.816 86 L CB -0.893 41.034 42.059 -0.219 0.000 0.933 86 L HN 0.273 nan 8.230 nan 0.000 0.449 87 G N -1.019 107.712 108.800 -0.115 0.000 2.149 87 G HA2 -0.269 3.692 3.960 0.002 0.000 0.235 87 G HA3 -0.269 3.692 3.960 0.002 0.000 0.235 87 G C 0.895 175.747 174.900 -0.079 0.000 1.018 87 G CA 0.421 45.473 45.100 -0.080 0.000 0.728 87 G HN 0.369 nan 8.290 nan 0.000 0.508 88 L N 0.253 121.408 121.223 -0.113 0.000 2.509 88 L HA 0.340 4.681 4.340 0.002 0.000 0.222 88 L C 2.021 178.867 176.870 -0.040 0.000 1.123 88 L CA 0.511 55.295 54.840 -0.094 0.000 0.856 88 L CB -0.148 41.805 42.059 -0.177 0.000 0.985 88 L HN 0.962 nan 8.230 nan 0.000 0.456 89 G N 1.078 109.852 108.800 -0.044 0.000 2.363 89 G HA2 -0.319 3.642 3.960 0.002 0.000 0.286 89 G HA3 -0.319 3.642 3.960 0.002 0.000 0.286 89 G C -0.277 174.643 174.900 0.034 0.000 0.975 89 G CA 0.656 45.744 45.100 -0.020 0.000 1.309 89 G HN 0.642 nan 8.290 nan 0.000 0.491 90 H N -0.610 118.406 119.070 -0.089 0.000 3.085 90 H HA 0.623 5.180 4.556 0.002 0.000 0.356 90 H C -0.436 174.843 175.328 -0.081 0.000 1.178 90 H CA -0.364 55.643 56.048 -0.069 0.000 1.214 90 H CB 1.426 31.154 29.762 -0.055 0.000 1.881 90 H HN 0.589 nan 8.280 nan 0.000 0.538 91 Q N 3.379 122.824 119.800 -0.592 0.000 2.379 91 Q HA 0.675 5.017 4.340 0.002 0.000 0.278 91 Q C -0.144 175.611 176.000 -0.408 0.000 1.068 91 Q CA -0.739 54.866 55.803 -0.331 0.000 0.816 91 Q CB 2.885 31.510 28.738 -0.189 0.000 1.387 91 Q HN 1.115 nan 8.270 nan 0.000 0.413 92 G N 0.727 109.443 108.800 -0.139 0.000 2.627 92 G HA2 -0.130 3.831 3.960 0.002 0.000 0.214 92 G HA3 -0.130 3.831 3.960 0.002 0.000 0.214 92 G C -2.669 172.282 174.900 0.084 0.000 1.331 92 G CA -0.789 44.280 45.100 -0.051 0.000 0.891 92 G HN 0.605 nan 8.290 nan 0.000 0.539 93 P HA 0.310 nan 4.420 nan 0.000 0.260 93 P C 0.328 177.755 177.300 0.212 0.000 1.172 93 P CA -0.210 62.961 63.100 0.118 0.000 0.760 93 P CB 0.684 32.422 31.700 0.064 0.000 0.773 94 V N 7.317 127.322 119.914 0.153 0.000 2.530 94 V HA 0.167 4.288 4.120 0.002 0.000 0.282 94 V C -1.609 174.501 176.094 0.025 0.000 1.048 94 V CA -1.386 60.955 62.300 0.068 0.000 0.997 94 V CB 0.380 32.193 31.823 -0.017 0.000 0.987 94 V HN 0.570 nan 8.190 nan 0.000 0.477 95 P HA 0.127 nan 4.420 nan 0.000 0.269 95 P C -0.013 177.280 177.300 -0.011 0.000 1.215 95 P CA -0.174 62.932 63.100 0.011 0.000 0.780 95 P CB 0.040 31.748 31.700 0.012 0.000 0.898 96 T N 1.068 115.621 114.554 -0.002 0.000 2.946 96 T HA 0.327 4.678 4.350 0.002 0.000 0.311 96 T C 1.479 176.175 174.700 -0.007 0.000 1.063 96 T CA 1.100 63.198 62.100 -0.004 0.000 1.139 96 T CB -0.035 68.834 68.868 0.001 0.000 0.994 96 T HN 0.832 nan 8.240 nan 0.000 0.547 97 G N 1.128 109.924 108.800 -0.007 0.000 2.336 97 G HA2 0.154 4.116 3.960 0.002 0.000 0.233 97 G HA3 0.154 4.116 3.960 0.002 0.000 0.233 97 G C 0.666 175.552 174.900 -0.023 0.000 1.053 97 G CA 0.163 45.259 45.100 -0.006 0.000 0.625 97 G HN 2.079 nan 8.290 nan 0.000 0.511 98 G N -2.083 106.691 108.800 -0.044 0.000 2.525 98 G HA2 0.333 4.295 3.960 0.002 0.000 0.685 98 G HA3 0.333 4.295 3.960 0.002 0.000 0.685 98 G C -0.482 174.380 174.900 -0.065 0.000 1.290 98 G CA 0.101 45.156 45.100 -0.075 0.000 0.915 98 G HN 1.511 nan 8.290 nan 0.000 0.548 99 V N 0.238 120.115 119.914 -0.062 0.000 2.383 99 V HA 0.527 4.649 4.120 0.002 0.000 0.275 99 V C 0.686 176.776 176.094 -0.007 0.000 1.036 99 V CA -0.593 61.661 62.300 -0.076 0.000 0.889 99 V CB 1.238 32.955 31.823 -0.177 0.000 0.985 99 V HN 0.860 nan 8.190 nan 0.000 0.459 100 V N 6.796 126.707 119.914 -0.005 0.000 2.398 100 V HA 0.668 4.789 4.120 0.002 0.000 0.286 100 V C 0.107 176.208 176.094 0.011 0.000 1.026 100 V CA -0.650 61.656 62.300 0.010 0.000 0.868 100 V CB 1.486 33.315 31.823 0.011 0.000 0.982 100 V HN 0.776 nan 8.190 nan 0.000 0.443 101 R N 2.824 123.332 120.500 0.013 0.000 2.836 101 R HA 0.680 5.021 4.340 0.002 0.000 0.269 101 R C -1.448 174.859 176.300 0.011 0.000 1.010 101 R CA -0.883 55.223 56.100 0.009 0.000 0.930 101 R CB 2.329 32.629 30.300 0.001 0.000 1.218 101 R HN 0.390 nan 8.270 nan 0.000 0.473 102 V N 3.704 123.623 119.914 0.009 0.000 2.284 102 V HA 0.419 4.541 4.120 0.002 0.000 0.274 102 V C -0.480 175.619 176.094 0.008 0.000 1.023 102 V CA -0.603 61.704 62.300 0.011 0.000 0.808 102 V CB 0.840 32.670 31.823 0.011 0.000 1.035 102 V HN 0.520 nan 8.190 nan 0.000 0.445 103 L N 3.007 124.235 121.223 0.009 0.000 2.408 103 L HA 1.097 5.438 4.340 0.002 0.000 0.268 103 L C 0.394 177.274 176.870 0.016 0.000 0.986 103 L CA -0.132 54.713 54.840 0.008 0.000 0.820 103 L CB 1.888 43.946 42.059 -0.001 0.000 1.303 103 L HN 0.738 nan 8.230 nan 0.000 0.411 104 G N 2.058 110.870 108.800 0.020 0.000 2.512 104 G HA2 -0.141 3.821 3.960 0.002 0.000 0.254 104 G HA3 -0.141 3.821 3.960 0.002 0.000 0.254 104 G C 0.313 175.231 174.900 0.029 0.000 1.199 104 G CA -0.135 44.984 45.100 0.031 0.000 0.941 104 G HN 1.466 nan 8.290 nan 0.000 0.569 105 G N 0.515 109.335 108.800 0.034 0.000 3.939 105 G HA2 0.562 4.524 3.960 0.002 0.000 0.268 105 G HA3 0.562 4.524 3.960 0.002 0.000 0.268 105 G C 0.307 175.226 174.900 0.032 0.000 1.172 105 G CA 0.099 45.218 45.100 0.032 0.000 1.614 105 G HN 0.581 nan 8.290 nan 0.000 0.639 106 R N 0.424 120.941 120.500 0.028 0.000 2.564 106 R HA 0.300 4.642 4.340 0.002 0.000 0.284 106 R C -0.691 175.625 176.300 0.027 0.000 1.031 106 R CA -0.956 55.162 56.100 0.030 0.000 0.904 106 R CB 2.365 32.682 30.300 0.029 0.000 1.199 106 R HN 0.291 nan 8.270 nan 0.000 0.443 107 R N 3.051 123.570 120.500 0.031 0.000 2.296 107 R HA 0.248 4.590 4.340 0.002 0.000 0.323 107 R C -0.967 175.354 176.300 0.035 0.000 1.067 107 R CA -0.049 56.069 56.100 0.030 0.000 0.946 107 R CB 0.560 30.878 30.300 0.030 0.000 0.991 107 R HN 0.291 nan 8.270 nan 0.000 0.448 108 V N 5.633 125.565 119.914 0.030 0.000 2.555 108 V HA 0.481 4.602 4.120 0.002 0.000 0.302 108 V C -0.184 175.934 176.094 0.039 0.000 1.038 108 V CA -0.828 61.492 62.300 0.034 0.000 0.887 108 V CB 1.737 33.574 31.823 0.023 0.000 0.991 108 V HN 0.740 nan 8.190 nan 0.000 0.434 109 R N 3.046 123.576 120.500 0.051 0.000 2.502 109 R HA 0.438 4.780 4.340 0.002 0.000 0.300 109 R C -2.000 174.347 176.300 0.078 0.000 0.984 109 R CA -0.642 55.489 56.100 0.051 0.000 0.882 109 R CB 1.444 31.764 30.300 0.033 0.000 1.180 109 R HN 0.741 nan 8.270 nan 0.000 0.444 110 Y N 4.346 124.605 120.300 -0.068 0.000 2.335 110 Y HA 0.277 4.829 4.550 0.003 0.000 0.339 110 Y C -0.180 175.671 175.900 -0.082 0.000 0.987 110 Y CA -0.312 57.738 58.100 -0.082 0.000 1.140 110 Y CB 1.192 39.584 38.460 -0.112 0.000 1.173 110 Y HN 0.676 nan 8.280 nan 0.000 0.486 111 T N 3.583 117.849 114.554 -0.479 0.000 2.881 111 T HA 0.515 4.866 4.350 0.002 0.000 0.278 111 T C 0.186 174.561 174.700 -0.541 0.000 0.982 111 T CA -0.933 60.940 62.100 -0.379 0.000 0.989 111 T CB 0.748 69.496 68.868 -0.200 0.000 1.058 111 T HN 0.756 nan 8.240 nan 0.000 0.529 112 R N 1.566 121.901 120.500 -0.274 0.000 2.756 112 R HA 0.218 4.560 4.340 0.002 0.000 0.264 112 R C -2.069 174.138 176.300 -0.154 0.000 1.026 112 R CA -1.083 54.906 56.100 -0.184 0.000 1.121 112 R CB -0.296 29.972 30.300 -0.054 0.000 0.999 112 R HN 0.568 nan 8.270 nan 0.000 0.449 113 P HA -0.050 nan 4.420 nan 0.000 0.274 113 P C 0.484 177.821 177.300 0.061 0.000 1.237 113 P CA -0.316 62.784 63.100 -0.000 0.000 0.793 113 P CB 0.535 32.273 31.700 0.063 0.000 0.977 114 L N 2.833 124.098 121.223 0.070 0.000 2.021 114 L HA -0.142 4.200 4.340 0.002 0.000 0.215 114 L C 2.342 179.295 176.870 0.137 0.000 1.074 114 L CA 2.835 57.716 54.840 0.068 0.000 0.760 114 L CB -1.814 40.258 42.059 0.022 0.000 0.889 114 L HN 0.565 nan 8.230 nan 0.000 0.433 115 G N -1.600 107.295 108.800 0.158 0.000 2.498 115 G HA2 -0.143 3.818 3.960 0.002 0.000 0.219 115 G HA3 -0.143 3.818 3.960 0.002 0.000 0.219 115 G C 1.503 176.679 174.900 0.460 0.000 1.119 115 G CA 0.648 45.943 45.100 0.326 0.000 0.766 115 G HN 0.676 nan 8.290 nan 0.000 0.552 116 A N -0.392 122.595 122.820 0.277 0.000 2.067 116 A HA 0.148 4.469 4.320 0.002 0.000 0.217 116 A C 1.077 178.809 177.584 0.245 0.000 1.156 116 A CA 0.343 52.507 52.037 0.212 0.000 0.683 116 A CB -0.339 18.727 19.000 0.109 0.000 0.808 116 A HN 0.501 nan 8.150 nan 0.000 0.455 117 H N 0.132 119.312 119.070 0.183 0.000 2.610 117 H HA 0.275 4.832 4.556 0.002 0.000 0.336 117 H C -1.565 173.861 175.328 0.163 0.000 1.087 117 H CA -1.522 54.603 56.048 0.130 0.000 1.405 117 H CB 1.204 31.004 29.762 0.062 0.000 1.460 117 H HN -0.012 nan 8.280 nan 0.000 0.538 118 P HA -0.140 nan 4.420 nan 0.000 0.218 118 P C 1.370 178.684 177.300 0.023 0.000 1.146 118 P CA 1.626 64.702 63.100 -0.040 0.000 0.813 118 P CB -0.057 31.558 31.700 -0.142 0.000 0.778 119 G N -0.410 108.533 108.800 0.238 0.000 2.479 119 G HA2 -0.237 3.725 3.960 0.002 0.000 0.220 119 G HA3 -0.237 3.725 3.960 0.002 0.000 0.220 119 G C 1.418 176.352 174.900 0.057 0.000 1.115 119 G CA 0.534 45.764 45.100 0.217 0.000 0.757 119 G HN 0.109 nan 8.290 nan 0.000 0.560 120 M N 1.136 120.714 119.600 -0.036 0.000 2.267 120 M HA 0.019 4.500 4.480 0.002 0.000 0.263 120 M C 2.895 179.034 176.300 -0.268 0.000 1.063 120 M CA 0.927 56.117 55.300 -0.183 0.000 1.090 120 M CB -1.156 31.309 32.600 -0.225 0.000 1.392 120 M HN 0.334 nan 8.290 nan 0.000 0.422 121 A N 0.706 123.330 122.820 -0.328 0.000 1.877 121 A HA -0.186 4.136 4.320 0.002 0.000 0.216 121 A C 1.755 179.307 177.584 -0.052 0.000 1.186 121 A CA 2.007 53.958 52.037 -0.143 0.000 0.620 121 A CB -0.722 18.256 19.000 -0.037 0.000 0.822 121 A HN 0.450 nan 8.150 nan 0.000 0.443 122 D N 0.507 120.890 120.400 -0.027 0.000 2.144 122 D HA -0.061 4.580 4.640 0.002 0.000 0.199 122 D C 2.041 178.318 176.300 -0.038 0.000 0.984 122 D CA 1.529 55.526 54.000 -0.005 0.000 0.834 122 D CB -0.570 40.240 40.800 0.018 0.000 0.955 122 D HN 0.466 nan 8.370 nan 0.000 0.465 123 A N 0.602 123.392 122.820 -0.051 0.000 1.897 123 A HA -0.049 4.272 4.320 0.002 0.000 0.215 123 A C 2.357 179.832 177.584 -0.181 0.000 1.181 123 A CA 0.556 52.535 52.037 -0.098 0.000 0.620 123 A CB -0.652 18.337 19.000 -0.019 0.000 0.821 123 A HN 0.148 nan 8.150 nan 0.000 0.443 124 I N -0.058 120.456 120.570 -0.093 0.000 2.127 124 I HA -0.330 3.841 4.170 0.002 0.000 0.241 124 I C 2.996 179.043 176.117 -0.117 0.000 1.075 124 I CA 1.269 62.519 61.300 -0.084 0.000 1.334 124 I CB -0.319 37.649 38.000 -0.053 0.000 1.040 124 I HN 0.361 nan 8.210 nan 0.000 0.405 125 A N 0.514 123.301 122.820 -0.055 0.000 1.902 125 A HA -0.177 4.144 4.320 0.002 0.000 0.217 125 A C 2.508 180.122 177.584 0.050 0.000 1.181 125 A CA 1.920 54.005 52.037 0.081 0.000 0.623 125 A CB -0.854 18.255 19.000 0.182 0.000 0.818 125 A HN 0.462 nan 8.150 nan 0.000 0.443 126 A N -0.995 121.768 122.820 -0.095 0.000 1.898 126 A HA -0.170 4.152 4.320 0.002 0.000 0.216 126 A C 2.146 179.565 177.584 -0.275 0.000 1.181 126 A CA 2.072 54.004 52.037 -0.175 0.000 0.620 126 A CB -0.547 18.293 19.000 -0.268 0.000 0.819 126 A HN 0.527 nan 8.150 nan 0.000 0.442 127 Q N 0.093 119.607 119.800 -0.478 0.000 2.096 127 Q HA -0.122 4.219 4.340 0.002 0.000 0.204 127 Q C 2.035 177.997 176.000 -0.062 0.000 0.982 127 Q CA 2.450 58.112 55.803 -0.236 0.000 0.850 127 Q CB -0.632 27.994 28.738 -0.186 0.000 0.901 127 Q HN 0.566 nan 8.270 nan 0.000 0.422 128 A N 0.395 123.181 122.820 -0.058 0.000 1.855 128 A HA -0.178 4.144 4.320 0.002 0.000 0.215 128 A C 2.120 179.748 177.584 0.074 0.000 1.191 128 A CA 1.572 53.599 52.037 -0.016 0.000 0.613 128 A CB -0.554 18.380 19.000 -0.110 0.000 0.829 128 A HN 0.427 nan 8.150 nan 0.000 0.442 129 R N -0.295 120.283 120.500 0.130 0.000 2.105 129 R HA -0.154 4.188 4.340 0.002 0.000 0.239 129 R C 1.138 177.465 176.300 0.045 0.000 1.135 129 R CA 1.575 57.732 56.100 0.096 0.000 0.967 129 R CB -0.469 29.878 30.300 0.079 0.000 0.861 129 R HN 0.453 nan 8.270 nan 0.000 0.442 130 D N -0.904 119.527 120.400 0.052 0.000 2.348 130 D HA -0.046 4.595 4.640 0.002 0.000 0.216 130 D C 1.168 177.483 176.300 0.026 0.000 0.970 130 D CA 0.967 55.001 54.000 0.056 0.000 0.889 130 D CB 0.154 41.029 40.800 0.125 0.000 0.912 130 D HN 0.130 nan 8.370 nan 0.000 0.524 131 T N -0.017 114.543 114.554 0.010 0.000 3.037 131 T HA 0.173 4.524 4.350 0.002 0.000 0.252 131 T C 1.134 175.790 174.700 -0.073 0.000 1.073 131 T CA -0.180 61.915 62.100 -0.008 0.000 1.091 131 T CB 0.503 69.374 68.868 0.005 0.000 0.935 131 T HN 0.033 nan 8.240 nan 0.000 0.488 132 L N 2.375 123.535 121.223 -0.105 0.000 2.473 132 L HA 0.245 4.587 4.340 0.002 0.000 0.265 132 L C -1.818 174.919 176.870 -0.223 0.000 1.243 132 L CA -1.497 53.196 54.840 -0.246 0.000 0.822 132 L CB -0.300 41.683 42.059 -0.127 0.000 1.101 132 L HN 0.085 nan 8.230 nan 0.000 0.507 133 P HA 0.177 nan 4.420 nan 0.000 0.287 133 P C -0.190 177.059 177.300 -0.084 0.000 1.279 133 P CA -0.776 62.235 63.100 -0.147 0.000 0.867 133 P CB 0.858 32.472 31.700 -0.143 0.000 1.127 134 E N 0.693 120.863 120.200 -0.049 0.000 2.284 134 E HA -0.186 4.165 4.350 0.002 0.000 0.200 134 E C 1.261 177.845 176.600 -0.027 0.000 1.008 134 E CA 1.904 58.286 56.400 -0.031 0.000 0.829 134 E CB -1.055 28.634 29.700 -0.019 0.000 0.744 134 E HN 0.647 nan 8.360 nan 0.000 0.491 135 G N 0.640 109.425 108.800 -0.026 0.000 3.088 135 G HA2 0.016 3.978 3.960 0.002 0.000 0.217 135 G HA3 0.016 3.978 3.960 0.002 0.000 0.217 135 G C 0.270 175.159 174.900 -0.018 0.000 1.159 135 G CA -0.082 45.008 45.100 -0.017 0.000 0.760 135 G HN 0.117 nan 8.290 nan 0.000 0.550 136 T N 1.299 115.837 114.554 -0.026 0.000 2.806 136 T HA 0.277 4.629 4.350 0.002 0.000 0.290 136 T C -0.884 173.805 174.700 -0.018 0.000 0.966 136 T CA -0.315 61.776 62.100 -0.015 0.000 1.060 136 T CB 1.938 70.794 68.868 -0.021 0.000 0.927 136 T HN -0.027 nan 8.240 nan 0.000 0.485 137 D N 3.749 124.142 120.400 -0.013 0.000 2.339 137 D HA 0.207 4.849 4.640 0.002 0.000 0.256 137 D C -1.436 174.844 176.300 -0.034 0.000 1.214 137 D CA -2.289 51.691 54.000 -0.033 0.000 0.877 137 D CB 1.528 42.311 40.800 -0.028 0.000 1.111 137 D HN 0.124 nan 8.370 nan 0.000 0.478 138 P HA -0.170 nan 4.420 nan 0.000 0.219 138 P C 0.872 178.101 177.300 -0.118 0.000 1.144 138 P CA 1.150 64.166 63.100 -0.140 0.000 0.806 138 P CB 0.219 31.634 31.700 -0.475 0.000 0.771 139 A N -0.233 122.522 122.820 -0.108 0.000 2.024 139 A HA -0.193 4.128 4.320 0.002 0.000 0.220 139 A C 1.707 179.295 177.584 0.006 0.000 1.164 139 A CA 1.815 53.818 52.037 -0.057 0.000 0.643 139 A CB -0.972 17.996 19.000 -0.053 0.000 0.806 139 A HN 0.124 nan 8.150 nan 0.000 0.451 140 D N -0.922 119.492 120.400 0.023 0.000 2.339 140 D HA 0.202 4.843 4.640 0.002 0.000 0.217 140 D C -0.233 176.118 176.300 0.084 0.000 1.050 140 D CA 0.317 54.346 54.000 0.049 0.000 0.856 140 D CB 0.512 41.339 40.800 0.044 0.000 0.922 140 D HN 0.169 nan 8.370 nan 0.000 0.518 141 V N 0.910 120.898 119.914 0.122 0.000 2.495 141 V HA 0.256 4.377 4.120 0.002 0.000 0.298 141 V C 0.416 176.630 176.094 0.199 0.000 1.031 141 V CA -0.617 61.786 62.300 0.171 0.000 0.871 141 V CB 2.109 34.068 31.823 0.227 0.000 0.988 141 V HN -0.143 nan 8.190 nan 0.000 0.432 142 T N 5.981 120.603 114.554 0.113 0.000 2.806 142 T HA 0.420 4.772 4.350 0.002 0.000 0.290 142 T C -0.285 174.394 174.700 -0.035 0.000 0.966 142 T CA -0.153 61.987 62.100 0.066 0.000 1.060 142 T CB 0.830 69.729 68.868 0.052 0.000 0.927 142 T HN 0.422 nan 8.240 nan 0.000 0.485 143 L N 5.046 126.196 121.223 -0.123 0.000 2.257 143 L HA 0.392 4.734 4.340 0.002 0.000 0.290 143 L C -1.299 175.445 176.870 -0.211 0.000 1.044 143 L CA -0.875 53.778 54.840 -0.311 0.000 0.810 143 L CB 0.612 42.281 42.059 -0.650 0.000 1.193 143 L HN 0.387 nan 8.230 nan 0.000 0.425 144 L N 6.535 127.636 121.223 -0.203 0.000 2.272 144 L HA 0.432 4.773 4.340 0.002 0.000 0.289 144 L C -0.126 176.656 176.870 -0.147 0.000 1.032 144 L CA -0.136 54.610 54.840 -0.157 0.000 0.810 144 L CB 1.373 43.316 42.059 -0.193 0.000 1.205 144 L HN 0.454 nan 8.230 nan 0.000 0.422 145 L N 4.903 126.056 121.223 -0.116 0.000 2.276 145 L HA 0.380 4.721 4.340 0.002 0.000 0.286 145 L C -0.377 176.464 176.870 -0.048 0.000 1.024 145 L CA -0.810 53.975 54.840 -0.093 0.000 0.826 145 L CB 1.575 43.558 42.059 -0.127 0.000 1.211 145 L HN 0.362 nan 8.230 nan 0.000 0.422 146 L N 4.223 125.440 121.223 -0.010 0.000 2.283 146 L HA 0.506 4.847 4.340 0.002 0.000 0.287 146 L C 0.448 177.358 176.870 0.067 0.000 1.073 146 L CA 0.081 54.930 54.840 0.014 0.000 0.822 146 L CB 0.934 42.993 42.059 0.001 0.000 1.186 146 L HN 0.648 nan 8.230 nan 0.000 0.436 147 A N 4.169 127.022 122.820 0.053 0.000 2.340 147 A HA 0.634 4.955 4.320 0.002 0.000 0.268 147 A C 1.095 178.724 177.584 0.075 0.000 1.100 147 A CA 0.179 52.270 52.037 0.090 0.000 0.803 147 A CB 0.742 19.771 19.000 0.049 0.000 1.043 147 A HN 1.054 nan 8.150 nan 0.000 0.488 148 A N 2.250 125.126 122.820 0.093 0.000 1.970 148 A HA 0.188 4.510 4.320 0.002 0.000 0.216 148 A C 1.232 178.847 177.584 0.051 0.000 1.170 148 A CA 0.867 52.935 52.037 0.052 0.000 0.645 148 A CB 0.030 19.055 19.000 0.041 0.000 0.816 148 A HN 0.792 nan 8.150 nan 0.000 0.447 149 R N -1.733 118.806 120.500 0.065 0.000 2.836 149 R HA 0.369 4.710 4.340 0.002 0.000 0.269 149 R C -2.007 174.319 176.300 0.043 0.000 1.010 149 R CA -1.853 54.279 56.100 0.052 0.000 0.930 149 R CB 0.873 31.209 30.300 0.060 0.000 1.218 149 R HN -0.060 nan 8.270 nan 0.000 0.473 150 P HA -0.184 nan 4.420 nan 0.000 0.216 150 P C 0.553 177.862 177.300 0.015 0.000 1.167 150 P CA 1.428 64.540 63.100 0.021 0.000 0.914 150 P CB 0.003 31.713 31.700 0.018 0.000 0.793 151 G N 0.254 109.065 108.800 0.019 0.000 4.232 151 G HA2 0.097 4.059 3.960 0.002 0.000 0.304 151 G HA3 0.097 4.059 3.960 0.002 0.000 0.304 151 G C -0.359 174.550 174.900 0.015 0.000 1.295 151 G CA -0.197 44.909 45.100 0.009 0.000 1.398 151 G HN 0.087 nan 8.290 nan 0.000 0.571 152 N N 1.646 120.355 118.700 0.014 0.000 2.469 152 N HA 0.308 5.050 4.740 0.002 0.000 0.239 152 N C 1.314 176.802 175.510 -0.036 0.000 1.053 152 N CA 0.006 53.071 53.050 0.025 0.000 0.937 152 N CB 1.502 40.036 38.487 0.078 0.000 1.163 152 N HN 0.221 nan 8.380 nan 0.000 0.509 153 A N 3.897 126.697 122.820 -0.033 0.000 1.930 153 A HA -0.060 4.261 4.320 0.002 0.000 0.217 153 A C 2.094 179.593 177.584 -0.143 0.000 1.175 153 A CA 1.692 53.687 52.037 -0.070 0.000 0.627 153 A CB -0.634 18.340 19.000 -0.045 0.000 0.815 153 A HN 0.683 nan 8.150 nan 0.000 0.443 154 A N -0.324 122.410 122.820 -0.144 0.000 1.883 154 A HA -0.087 4.235 4.320 0.002 0.000 0.217 154 A C 2.131 179.360 177.584 -0.591 0.000 1.186 154 A CA 1.828 53.675 52.037 -0.316 0.000 0.624 154 A CB -0.696 18.247 19.000 -0.094 0.000 0.822 154 A HN 0.675 nan 8.150 nan 0.000 0.444 155 L N -0.078 120.904 121.223 -0.403 0.000 2.012 155 L HA -0.172 4.170 4.340 0.002 0.000 0.210 155 L C 2.252 178.907 176.870 -0.358 0.000 1.073 155 L CA 2.368 56.883 54.840 -0.542 0.000 0.748 155 L CB -0.756 40.995 42.059 -0.513 0.000 0.891 155 L HN 0.382 nan 8.230 nan 0.000 0.431 156 E N -0.555 119.499 120.200 -0.244 0.000 2.097 156 E HA -0.218 4.133 4.350 0.002 0.000 0.196 156 E C 2.062 178.563 176.600 -0.166 0.000 1.000 156 E CA 1.959 58.259 56.400 -0.166 0.000 0.804 156 E CB -0.645 28.985 29.700 -0.116 0.000 0.740 156 E HN 0.583 nan 8.360 nan 0.000 0.454 157 T N 0.255 114.670 114.554 -0.231 0.000 2.684 157 T HA -0.162 4.189 4.350 0.002 0.000 0.267 157 T C 1.693 176.309 174.700 -0.140 0.000 1.036 157 T CA 1.728 63.703 62.100 -0.208 0.000 1.148 157 T CB -0.497 68.209 68.868 -0.271 0.000 0.863 157 T HN 0.447 nan 8.240 nan 0.000 0.436 158 H N 0.859 119.856 119.070 -0.122 0.000 2.387 158 H HA 0.125 4.682 4.556 0.002 0.000 0.299 158 H C 2.597 177.857 175.328 -0.113 0.000 1.090 158 H CA 0.753 56.729 56.048 -0.120 0.000 1.332 158 H CB -0.145 29.507 29.762 -0.183 0.000 1.386 158 H HN 0.388 nan 8.280 nan 0.000 0.516 159 A N 0.843 123.642 122.820 -0.034 0.000 1.902 159 A HA -0.246 4.075 4.320 0.002 0.000 0.217 159 A C 2.259 179.826 177.584 -0.028 0.000 1.181 159 A CA 1.802 53.804 52.037 -0.057 0.000 0.623 159 A CB -0.388 18.557 19.000 -0.092 0.000 0.818 159 A HN 0.316 nan 8.150 nan 0.000 0.443 160 Q N -0.174 119.607 119.800 -0.031 0.000 2.123 160 Q HA 0.076 4.417 4.340 0.002 0.000 0.199 160 Q C 2.017 178.019 176.000 0.003 0.000 0.966 160 Q CA 1.883 57.676 55.803 -0.017 0.000 0.845 160 Q CB -0.650 28.070 28.738 -0.030 0.000 0.907 160 Q HN 0.524 nan 8.270 nan 0.000 0.439 161 A N 0.417 123.246 122.820 0.014 0.000 1.892 161 A HA -0.176 4.146 4.320 0.002 0.000 0.218 161 A C 2.092 179.701 177.584 0.041 0.000 1.188 161 A CA 1.639 53.695 52.037 0.031 0.000 0.631 161 A CB -0.857 18.175 19.000 0.053 0.000 0.822 161 A HN 0.465 nan 8.150 nan 0.000 0.447 162 L N -1.633 119.619 121.223 0.048 0.000 2.156 162 L HA -0.116 4.226 4.340 0.002 0.000 0.208 162 L C 2.853 179.782 176.870 0.099 0.000 1.095 162 L CA 0.914 55.803 54.840 0.082 0.000 0.770 162 L CB -0.455 41.644 42.059 0.066 0.000 0.914 162 L HN 0.393 nan 8.230 nan 0.000 0.439 163 R N 0.263 120.798 120.500 0.058 0.000 2.080 163 R HA -0.173 4.169 4.340 0.002 0.000 0.236 163 R C 2.187 178.513 176.300 0.043 0.000 1.137 163 R CA 1.666 57.797 56.100 0.051 0.000 0.943 163 R CB -0.233 30.081 30.300 0.023 0.000 0.846 163 R HN 0.433 nan 8.270 nan 0.000 0.431 164 E N 0.023 120.241 120.200 0.030 0.000 2.118 164 E HA -0.249 4.102 4.350 0.002 0.000 0.195 164 E C 2.064 178.677 176.600 0.022 0.000 0.992 164 E CA 0.970 57.382 56.400 0.021 0.000 0.804 164 E CB -0.187 29.521 29.700 0.013 0.000 0.741 164 E HN 0.271 nan 8.360 nan 0.000 0.458 165 R N 0.423 120.942 120.500 0.033 0.000 2.189 165 R HA -0.073 4.268 4.340 0.002 0.000 0.218 165 R C 1.246 177.554 176.300 0.013 0.000 1.074 165 R CA 1.092 57.207 56.100 0.025 0.000 0.991 165 R CB -0.070 30.253 30.300 0.038 0.000 0.883 165 R HN 0.252 nan 8.270 nan 0.000 0.457 166 G N 0.622 109.442 108.800 0.033 0.000 2.160 166 G HA2 -0.306 3.655 3.960 0.002 0.000 0.251 166 G HA3 -0.306 3.655 3.960 0.002 0.000 0.251 166 G C 0.360 175.238 174.900 -0.035 0.000 1.008 166 G CA 0.589 45.698 45.100 0.015 0.000 0.724 166 G HN 0.516 nan 8.290 nan 0.000 0.514 167 Q N -1.444 118.300 119.800 -0.094 0.000 2.360 167 Q HA 0.388 4.730 4.340 0.002 0.000 0.202 167 Q C 0.297 175.939 176.000 -0.597 0.000 0.915 167 Q CA 0.262 55.872 55.803 -0.322 0.000 0.943 167 Q CB 0.371 28.870 28.738 -0.398 0.000 1.064 167 Q HN 0.599 nan 8.270 nan 0.000 0.511 168 F N -1.587 118.358 119.950 -0.010 0.000 2.556 168 F HA 0.424 4.953 4.527 0.002 0.000 0.327 168 F C 0.996 176.794 175.800 -0.004 0.000 1.059 168 F CA -0.805 57.190 58.000 -0.008 0.000 0.953 168 F CB 0.970 39.962 39.000 -0.012 0.000 1.227 168 F HN -0.192 nan 8.300 nan 0.000 0.478 169 A N 1.150 124.079 122.820 0.181 0.000 2.019 169 A HA 0.409 4.730 4.320 0.002 0.000 0.219 169 A C 0.926 178.568 177.584 0.097 0.000 1.164 169 A CA 1.514 53.612 52.037 0.101 0.000 0.644 169 A CB -0.782 18.271 19.000 0.088 0.000 0.805 169 A HN 0.990 nan 8.150 nan 0.000 0.449 170 G N -3.212 105.666 108.800 0.129 0.000 2.466 170 G HA2 0.475 4.436 3.960 0.002 0.000 0.291 170 G HA3 0.475 4.436 3.960 0.002 0.000 0.291 170 G C -1.810 173.124 174.900 0.056 0.000 1.460 170 G CA -0.067 45.080 45.100 0.079 0.000 0.791 170 G HN 0.493 nan 8.290 nan 0.000 0.505 171 V N 0.977 120.900 119.914 0.015 0.000 2.577 171 V HA 0.642 4.763 4.120 0.002 0.000 0.303 171 V C -1.062 175.008 176.094 -0.039 0.000 1.042 171 V CA -0.861 61.414 62.300 -0.042 0.000 0.872 171 V CB 1.735 33.532 31.823 -0.043 0.000 0.998 171 V HN 0.704 nan 8.190 nan 0.000 0.423 172 E N 2.907 123.075 120.200 -0.053 0.000 2.222 172 E HA 0.505 4.857 4.350 0.002 0.000 0.267 172 E C -0.987 175.581 176.600 -0.054 0.000 0.884 172 E CA -0.692 55.686 56.400 -0.036 0.000 0.764 172 E CB 2.765 32.459 29.700 -0.010 0.000 1.169 172 E HN 0.371 nan 8.360 nan 0.000 0.413 173 V N 2.860 122.744 119.914 -0.048 0.000 2.455 173 V HA 0.188 4.310 4.120 0.002 0.000 0.273 173 V C 0.500 176.582 176.094 -0.021 0.000 1.045 173 V CA -0.492 61.778 62.300 -0.050 0.000 0.976 173 V CB 0.820 32.608 31.823 -0.058 0.000 0.993 173 V HN 0.464 nan 8.190 nan 0.000 0.475 174 V N 4.199 124.104 119.914 -0.015 0.000 2.881 174 V HA 0.781 4.902 4.120 0.002 0.000 0.316 174 V C -0.683 175.421 176.094 0.016 0.000 1.070 174 V CA -0.854 61.454 62.300 0.013 0.000 0.976 174 V CB 2.142 33.978 31.823 0.022 0.000 1.038 174 V HN 0.680 nan 8.190 nan 0.000 0.446 175 L N 1.346 122.587 121.223 0.030 0.000 2.455 175 L HA 0.624 4.965 4.340 0.002 0.000 0.264 175 L C -0.386 176.506 176.870 0.037 0.000 0.968 175 L CA -0.431 54.427 54.840 0.029 0.000 0.827 175 L CB 2.602 44.676 42.059 0.025 0.000 1.317 175 L HN 0.880 nan 8.230 nan 0.000 0.407 176 E N 0.905 121.125 120.200 0.033 0.000 2.349 176 E HA 0.252 4.603 4.350 0.002 0.000 0.262 176 E C 0.124 176.743 176.600 0.032 0.000 1.088 176 E CA -0.106 56.316 56.400 0.037 0.000 0.899 176 E CB 1.307 31.025 29.700 0.030 0.000 1.044 176 E HN 0.622 nan 8.360 nan 0.000 0.420 177 S N 1.833 117.552 115.700 0.032 0.000 2.629 177 S HA 0.053 4.525 4.470 0.002 0.000 0.250 177 S C 1.080 175.693 174.600 0.020 0.000 1.318 177 S CA -0.188 58.027 58.200 0.025 0.000 0.970 177 S CB 0.415 63.629 63.200 0.024 0.000 0.996 177 S HN 0.524 nan 8.310 nan 0.000 0.563 178 R N 0.479 120.988 120.500 0.016 0.000 2.221 178 R HA -0.009 4.333 4.340 0.002 0.000 0.215 178 R C 0.000 176.306 176.300 0.010 0.000 1.092 178 R CA 1.354 57.462 56.100 0.012 0.000 0.858 178 R CB -1.006 29.300 30.300 0.010 0.000 0.791 178 R HN 0.774 nan 8.270 nan 0.000 0.442 190 A N 2.356 125.176 122.820 0.000 0.000 2.302 190 A HA 0.727 5.049 4.320 0.002 0.000 0.285 190 A C 0.508 178.099 177.584 0.013 0.000 1.105 190 A CA -0.380 51.658 52.037 0.001 0.000 0.816 190 A CB 0.707 19.706 19.000 -0.001 0.000 1.067 190 A HN 1.531 nan 8.150 nan 0.000 0.489 191 V N 2.269 122.193 119.914 0.017 0.000 2.521 191 V HA 0.346 4.467 4.120 0.002 0.000 0.286 191 V C -2.428 173.696 176.094 0.050 0.000 1.034 191 V CA -1.650 60.670 62.300 0.034 0.000 1.045 191 V CB 0.354 32.200 31.823 0.039 0.000 0.974 191 V HN 0.711 nan 8.190 nan 0.000 0.480 192 P HA 0.024 nan 4.420 nan 0.000 0.264 192 P C 0.564 177.928 177.300 0.107 0.000 1.193 192 P CA -0.031 63.110 63.100 0.068 0.000 0.763 192 P CB 0.742 32.478 31.700 0.059 0.000 0.810 193 L N 4.578 125.869 121.223 0.113 0.000 2.079 193 L HA -0.211 4.131 4.340 0.002 0.000 0.210 193 L C 1.986 179.011 176.870 0.259 0.000 1.081 193 L CA 2.381 57.328 54.840 0.178 0.000 0.752 193 L CB -1.454 40.678 42.059 0.122 0.000 0.896 193 L HN 0.391 nan 8.230 nan 0.000 0.433 194 S N -1.574 114.225 115.700 0.166 0.000 2.493 194 S HA -0.159 4.312 4.470 0.002 0.000 0.243 194 S C 1.397 176.072 174.600 0.125 0.000 0.991 194 S CA 1.293 59.577 58.200 0.140 0.000 0.957 194 S CB -0.608 62.642 63.200 0.083 0.000 0.756 194 S HN 0.721 nan 8.310 nan 0.000 0.521 195 E N 0.447 120.724 120.200 0.129 0.000 2.538 195 E HA 0.099 4.450 4.350 0.002 0.000 0.207 195 E C 1.336 177.924 176.600 -0.020 0.000 1.002 195 E CA -0.100 56.361 56.400 0.101 0.000 0.952 195 E CB -0.068 29.688 29.700 0.094 0.000 1.031 195 E HN 0.839 nan 8.360 nan 0.000 0.476 196 W N 1.199 122.501 121.300 0.004 0.000 2.325 196 W HA -0.088 4.573 4.660 0.001 0.000 0.299 196 W C -1.414 175.014 176.519 -0.152 0.000 1.215 196 W CA 0.753 58.063 57.345 -0.058 0.000 1.244 196 W CB -2.019 27.417 29.460 -0.041 0.000 1.140 196 W HN 0.013 nan 8.180 nan 0.000 0.523 197 P HA -0.125 nan 4.420 nan 0.000 0.226 197 P C 2.038 178.869 177.300 -0.781 0.000 1.153 197 P CA 2.663 65.164 63.100 -0.999 0.000 0.777 197 P CB -0.316 30.484 31.700 -1.500 0.000 0.794 198 S N -1.194 114.078 115.700 -0.714 0.000 2.547 198 S HA -0.039 4.432 4.470 0.002 0.000 0.235 198 S C 1.669 176.152 174.600 -0.195 0.000 0.980 198 S CA 0.703 58.649 58.200 -0.425 0.000 0.941 198 S CB -0.509 62.565 63.200 -0.210 0.000 0.763 198 S HN 0.008 nan 8.310 nan 0.000 0.532 199 R N -0.026 120.399 120.500 -0.125 0.000 2.476 199 R HA 0.429 4.770 4.340 0.002 0.000 0.276 199 R C -0.796 175.504 176.300 -0.001 0.000 0.941 199 R CA 0.093 56.174 56.100 -0.031 0.000 1.088 199 R CB 1.133 31.443 30.300 0.017 0.000 1.216 199 R HN 0.314 nan 8.270 nan 0.000 0.533 200 V N 1.342 121.248 119.914 -0.013 0.000 2.289 200 V HA 0.168 4.290 4.120 0.002 0.000 0.272 200 V C 0.881 176.968 176.094 -0.012 0.000 1.026 200 V CA -0.520 61.804 62.300 0.040 0.000 0.807 200 V CB 1.303 33.226 31.823 0.167 0.000 1.044 200 V HN 0.253 nan 8.190 nan 0.000 0.443 201 E N 3.636 123.829 120.200 -0.012 0.000 2.208 201 E HA 0.175 4.527 4.350 0.002 0.000 0.193 201 E C 0.747 177.343 176.600 -0.008 0.000 0.988 201 E CA 1.133 57.518 56.400 -0.025 0.000 0.828 201 E CB 0.421 30.110 29.700 -0.018 0.000 0.763 201 E HN 0.774 nan 8.360 nan 0.000 0.478 202 A N -0.980 121.848 122.820 0.014 0.000 2.594 202 A HA 0.653 4.975 4.320 0.002 0.000 0.291 202 A C 0.364 177.974 177.584 0.043 0.000 1.105 202 A CA -0.297 51.754 52.037 0.023 0.000 0.694 202 A CB 1.134 20.146 19.000 0.019 0.000 1.291 202 A HN 0.409 nan 8.150 nan 0.000 0.410 203 G N -0.179 108.649 108.800 0.046 0.000 2.498 203 G HA2 -0.004 3.957 3.960 0.002 0.000 0.245 203 G HA3 -0.004 3.957 3.960 0.002 0.000 0.245 203 G C -0.200 174.745 174.900 0.076 0.000 1.204 203 G CA 0.551 45.687 45.100 0.060 0.000 0.933 203 G HN 1.136 nan 8.290 nan 0.000 0.574 204 Q N -0.630 119.222 119.800 0.087 0.000 2.633 204 Q HA 0.765 5.106 4.340 0.002 0.000 0.292 204 Q C 0.060 176.096 176.000 0.060 0.000 1.089 204 Q CA -0.283 55.565 55.803 0.075 0.000 0.811 204 Q CB 2.143 30.950 28.738 0.116 0.000 1.472 204 Q HN 1.506 nan 8.270 nan 0.000 0.464 205 A N 0.182 122.980 122.820 -0.037 0.000 2.423 205 A HA 0.849 5.171 4.320 0.002 0.000 0.304 205 A C -1.612 175.888 177.584 -0.139 0.000 1.104 205 A CA -0.631 51.331 52.037 -0.125 0.000 0.757 205 A CB 1.897 20.696 19.000 -0.335 0.000 1.313 205 A HN 0.390 nan 8.150 nan 0.000 0.423 206 V N 1.688 121.520 119.914 -0.136 0.000 2.686 206 V HA 0.660 4.781 4.120 0.002 0.000 0.306 206 V C -1.770 174.205 176.094 -0.198 0.000 1.065 206 V CA -0.620 61.616 62.300 -0.106 0.000 0.894 206 V CB 1.615 33.436 31.823 -0.003 0.000 1.004 206 V HN 1.030 nan 8.190 nan 0.000 0.424 207 L N 7.273 128.378 121.223 -0.198 0.000 2.296 207 L HA 0.748 5.089 4.340 0.002 0.000 0.286 207 L C -0.814 175.984 176.870 -0.120 0.000 1.023 207 L CA 0.096 54.822 54.840 -0.190 0.000 0.812 207 L CB 1.735 43.658 42.059 -0.226 0.000 1.223 207 L HN 0.517 nan 8.230 nan 0.000 0.421 208 V N 7.003 126.852 119.914 -0.109 0.000 2.350 208 V HA 0.426 4.548 4.120 0.002 0.000 0.285 208 V C -2.215 173.868 176.094 -0.019 0.000 1.014 208 V CA -1.625 60.638 62.300 -0.062 0.000 0.831 208 V CB 1.385 33.163 31.823 -0.075 0.000 1.000 208 V HN 0.701 nan 8.190 nan 0.000 0.433 209 P HA 0.084 nan 4.420 nan 0.000 0.266 209 P C -0.527 176.826 177.300 0.090 0.000 1.215 209 P CA -0.013 63.100 63.100 0.022 0.000 0.763 209 P CB 0.135 31.822 31.700 -0.021 0.000 0.806 210 F N 6.152 126.074 119.950 -0.046 0.000 2.605 210 F HA 0.331 4.859 4.527 0.002 0.000 0.352 210 F C -0.919 174.864 175.800 -0.030 0.000 1.236 210 F CA -0.114 57.871 58.000 -0.025 0.000 1.267 210 F CB -0.370 38.631 39.000 0.002 0.000 1.632 210 F HN 0.086 nan 8.300 nan 0.000 0.639 211 L N 2.179 123.281 121.223 -0.202 0.000 2.434 211 L HA 0.290 4.631 4.340 0.002 0.000 0.260 211 L C 1.208 177.930 176.870 -0.246 0.000 0.983 211 L CA -0.425 54.274 54.840 -0.234 0.000 0.820 211 L CB 2.030 43.980 42.059 -0.183 0.000 1.361 211 L HN 0.361 nan 8.230 nan 0.000 0.410 212 T N -2.488 111.920 114.554 -0.243 0.000 2.951 212 T HA 0.090 4.442 4.350 0.002 0.000 0.268 212 T C 0.489 175.190 174.700 0.002 0.000 1.073 212 T CA 1.312 63.348 62.100 -0.107 0.000 1.134 212 T CB -0.322 68.528 68.868 -0.029 0.000 0.884 212 T HN 0.699 nan 8.240 nan 0.000 0.479 213 H N -1.186 117.818 119.070 -0.110 0.000 2.902 213 H HA 0.626 5.184 4.556 0.002 0.000 0.297 213 H C -2.120 173.155 175.328 -0.088 0.000 1.406 213 H CA -1.499 54.494 56.048 -0.092 0.000 1.134 213 H CB 1.081 30.781 29.762 -0.103 0.000 1.833 213 H HN 0.137 nan 8.280 nan 0.000 0.527 214 L N 1.881 123.081 121.223 -0.038 0.000 2.442 214 L HA 0.551 4.893 4.340 0.002 0.000 0.261 214 L C 0.341 177.210 176.870 -0.002 0.000 1.000 214 L CA 0.128 54.919 54.840 -0.081 0.000 0.882 214 L CB 1.072 43.093 42.059 -0.064 0.000 1.207 214 L HN 0.993 nan 8.230 nan 0.000 0.443 215 G N 2.086 110.890 108.800 0.006 0.000 2.651 215 G HA2 0.138 4.099 3.960 0.002 0.000 0.260 215 G HA3 0.138 4.099 3.960 0.002 0.000 0.260 215 G C 0.490 175.327 174.900 -0.104 0.000 1.216 215 G CA -0.352 44.715 45.100 -0.054 0.000 0.913 215 G HN 0.654 nan 8.290 nan 0.000 0.535 216 K N -0.993 119.297 120.400 -0.183 0.000 2.103 216 K HA -0.070 4.252 4.320 0.002 0.000 0.204 216 K C 2.215 178.691 176.600 -0.207 0.000 1.052 216 K CA 1.027 57.195 56.287 -0.197 0.000 0.945 216 K CB -0.135 32.226 32.500 -0.232 0.000 0.722 216 K HN 0.655 nan 8.250 nan 0.000 0.443 217 H N 0.245 119.248 119.070 -0.111 0.000 2.290 217 H HA -0.133 4.425 4.556 0.002 0.000 0.298 217 H C 2.003 177.293 175.328 -0.062 0.000 1.087 217 H CA 1.915 57.918 56.048 -0.075 0.000 1.291 217 H CB -0.227 29.489 29.762 -0.075 0.000 1.369 217 H HN 0.265 nan 8.280 nan 0.000 0.492 218 A N 0.981 123.831 122.820 0.051 0.000 1.917 218 A HA -0.223 4.098 4.320 0.002 0.000 0.219 218 A C 2.530 180.102 177.584 -0.019 0.000 1.182 218 A CA 1.892 53.928 52.037 -0.003 0.000 0.633 218 A CB -1.188 17.785 19.000 -0.044 0.000 0.819 218 A HN 0.513 nan 8.150 nan 0.000 0.448 219 A N -0.699 122.100 122.820 -0.036 0.000 2.015 219 A HA -0.108 4.213 4.320 0.002 0.000 0.219 219 A C 1.918 179.486 177.584 -0.025 0.000 1.163 219 A CA 1.533 53.548 52.037 -0.037 0.000 0.646 219 A CB -0.365 18.606 19.000 -0.049 0.000 0.806 219 A HN 0.668 nan 8.150 nan 0.000 0.448 220 E N -0.536 119.649 120.200 -0.026 0.000 2.076 220 E HA -0.100 4.251 4.350 0.002 0.000 0.190 220 E C 2.284 178.887 176.600 0.006 0.000 0.979 220 E CA 0.580 56.971 56.400 -0.015 0.000 0.807 220 E CB -0.128 29.556 29.700 -0.028 0.000 0.761 220 E HN 0.519 nan 8.360 nan 0.000 0.454 221 R N 0.627 121.136 120.500 0.016 0.000 2.096 221 R HA -0.200 4.141 4.340 0.002 0.000 0.240 221 R C 2.469 178.782 176.300 0.021 0.000 1.139 221 R CA 1.308 57.421 56.100 0.022 0.000 0.952 221 R CB -0.486 29.827 30.300 0.022 0.000 0.854 221 R HN 0.124 nan 8.270 nan 0.000 0.436 222 L N 1.033 122.263 121.223 0.012 0.000 2.017 222 L HA -0.188 4.154 4.340 0.002 0.000 0.208 222 L C 1.955 178.840 176.870 0.024 0.000 1.073 222 L CA 1.878 56.726 54.840 0.013 0.000 0.745 222 L CB -0.532 41.523 42.059 -0.006 0.000 0.894 222 L HN 0.129 nan 8.230 nan 0.000 0.432 223 Q N -0.567 119.243 119.800 0.017 0.000 2.297 223 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 223 Q C 2.177 178.200 176.000 0.038 0.000 0.962 223 Q CA 1.259 57.078 55.803 0.026 0.000 0.879 223 Q CB -0.098 28.647 28.738 0.013 0.000 0.947 223 Q HN 0.704 nan 8.270 nan 0.000 0.462 224 Q N 0.201 120.021 119.800 0.033 0.000 2.016 224 Q HA -0.059 4.283 4.340 0.002 0.000 0.200 224 Q C 2.164 178.195 176.000 0.053 0.000 0.978 224 Q CA 1.333 57.157 55.803 0.036 0.000 0.833 224 Q CB -0.287 28.467 28.738 0.027 0.000 0.895 224 Q HN 0.367 nan 8.270 nan 0.000 0.427 225 A N 1.130 123.986 122.820 0.060 0.000 1.915 225 A HA -0.249 4.072 4.320 0.002 0.000 0.220 225 A C 2.078 179.742 177.584 0.133 0.000 1.198 225 A CA 1.713 53.802 52.037 0.087 0.000 0.647 225 A CB -0.966 18.085 19.000 0.085 0.000 0.825 225 A HN 0.337 nan 8.150 nan 0.000 0.456 226 L N -1.377 119.930 121.223 0.140 0.000 2.109 226 L HA -0.101 4.241 4.340 0.002 0.000 0.207 226 L C 3.060 180.036 176.870 0.176 0.000 1.086 226 L CA 0.828 55.797 54.840 0.214 0.000 0.760 226 L CB -0.535 41.622 42.059 0.163 0.000 0.910 226 L HN 0.443 nan 8.230 nan 0.000 0.437 227 A N -0.277 122.605 122.820 0.104 0.000 1.933 227 A HA -0.232 4.089 4.320 0.002 0.000 0.218 227 A C 2.236 179.850 177.584 0.050 0.000 1.175 227 A CA 1.408 53.486 52.037 0.070 0.000 0.628 227 A CB -0.385 18.642 19.000 0.044 0.000 0.814 227 A HN 0.449 nan 8.150 nan 0.000 0.444 228 Q N -0.561 119.269 119.800 0.049 0.000 2.050 228 Q HA -0.116 4.225 4.340 0.002 0.000 0.202 228 Q C 2.452 178.458 176.000 0.010 0.000 0.980 228 Q CA 1.446 57.261 55.803 0.020 0.000 0.840 228 Q CB -0.436 28.318 28.738 0.026 0.000 0.898 228 Q HN 0.680 nan 8.270 nan 0.000 0.424 229 A N 1.086 123.944 122.820 0.064 0.000 1.917 229 A HA -0.199 4.122 4.320 0.002 0.000 0.219 229 A C 2.247 179.842 177.584 0.018 0.000 1.182 229 A CA 1.857 53.918 52.037 0.039 0.000 0.633 229 A CB -0.794 18.217 19.000 0.018 0.000 0.819 229 A HN 0.421 nan 8.150 nan 0.000 0.448 230 A N -1.216 121.631 122.820 0.046 0.000 2.016 230 A HA -0.027 4.295 4.320 0.002 0.000 0.217 230 A C 2.017 179.592 177.584 -0.015 0.000 1.162 230 A CA 1.350 53.410 52.037 0.038 0.000 0.662 230 A CB -0.329 18.718 19.000 0.080 0.000 0.812 230 A HN 0.607 nan 8.150 nan 0.000 0.450 231 E N -0.124 120.052 120.200 -0.040 0.000 2.046 231 E HA -0.211 4.141 4.350 0.002 0.000 0.190 231 E C 2.252 178.752 176.600 -0.167 0.000 0.982 231 E CA 1.100 57.455 56.400 -0.076 0.000 0.800 231 E CB -0.090 29.574 29.700 -0.061 0.000 0.756 231 E HN 0.389 nan 8.360 nan 0.000 0.449 232 R N -0.235 120.105 120.500 -0.266 0.000 2.105 232 R HA -0.105 4.237 4.340 0.002 0.000 0.239 232 R C 0.118 175.902 176.300 -0.860 0.000 1.135 232 R CA 1.255 57.003 56.100 -0.587 0.000 0.967 232 R CB -0.197 29.668 30.300 -0.725 0.000 0.861 232 R HN 0.029 nan 8.270 nan 0.000 0.442 233 F N 0.367 120.232 119.950 -0.141 0.000 2.660 233 F HA 0.376 4.904 4.527 0.002 0.000 0.352 233 F C -1.701 174.021 175.800 -0.130 0.000 1.257 233 F CA -2.443 55.459 58.000 -0.163 0.000 1.200 233 F CB 2.017 40.855 39.000 -0.271 0.000 1.473 233 F HN -0.005 nan 8.300 nan 0.000 0.561 234 P HA -0.090 nan 4.420 nan 0.000 0.237 234 P C 0.436 177.752 177.300 0.027 0.000 1.178 234 P CA 1.048 64.154 63.100 0.010 0.000 0.766 234 P CB 0.393 32.084 31.700 -0.014 0.000 0.876 235 Q N -0.871 118.951 119.800 0.038 0.000 2.135 235 Q HA 0.381 4.723 4.340 0.002 0.000 0.231 235 Q C 0.234 176.246 176.000 0.021 0.000 0.817 235 Q CA -0.499 55.322 55.803 0.029 0.000 1.073 235 Q CB 0.690 29.442 28.738 0.024 0.000 1.176 235 Q HN 0.088 nan 8.270 nan 0.000 0.478 236 A N 1.641 124.464 122.820 0.005 0.000 2.492 236 A HA 0.234 4.556 4.320 0.002 0.000 0.236 236 A C -2.005 175.602 177.584 0.038 0.000 1.078 236 A CA -0.746 51.247 52.037 -0.074 0.000 0.773 236 A CB -0.314 18.520 19.000 -0.276 0.000 1.023 236 A HN 0.092 nan 8.150 nan 0.000 0.504 237 P HA 0.141 nan 4.420 nan 0.000 0.267 237 P C -2.409 175.009 177.300 0.197 0.000 1.195 237 P CA -0.328 62.865 63.100 0.157 0.000 0.773 237 P CB -0.383 31.452 31.700 0.224 0.000 0.837 238 P HA 0.119 nan 4.420 nan 0.000 0.267 238 P C -0.939 176.202 177.300 -0.264 0.000 1.205 238 P CA 0.124 63.180 63.100 -0.074 0.000 0.765 238 P CB 0.274 31.917 31.700 -0.095 0.000 0.828 239 L N 4.908 125.936 121.223 -0.324 0.000 2.333 239 L HA 0.401 4.742 4.340 0.002 0.000 0.280 239 L C -0.625 175.942 176.870 -0.505 0.000 1.004 239 L CA -0.378 54.168 54.840 -0.490 0.000 0.820 239 L CB 0.656 42.406 42.059 -0.515 0.000 1.247 239 L HN 0.391 nan 8.230 nan 0.000 0.416 240 H N 4.999 123.990 119.070 -0.131 0.000 2.504 240 H HA 0.422 4.979 4.556 0.002 0.000 0.322 240 H C -0.831 174.426 175.328 -0.117 0.000 1.055 240 H CA -0.669 55.327 56.048 -0.087 0.000 1.231 240 H CB 1.633 31.364 29.762 -0.051 0.000 1.417 240 H HN 0.331 nan 8.280 nan 0.000 0.472 241 V N 3.541 123.454 119.914 -0.002 0.000 2.364 241 V HA 0.307 4.429 4.120 0.002 0.000 0.272 241 V C 1.083 177.167 176.094 -0.017 0.000 1.036 241 V CA -0.599 61.673 62.300 -0.047 0.000 0.880 241 V CB 1.233 33.022 31.823 -0.057 0.000 0.991 241 V HN 0.921 nan 8.190 nan 0.000 0.460 242 G N 3.321 112.104 108.800 -0.028 0.000 2.528 242 G HA2 0.563 4.525 3.960 0.002 0.000 0.289 242 G HA3 0.563 4.525 3.960 0.002 0.000 0.289 242 G C 0.393 175.285 174.900 -0.012 0.000 1.192 242 G CA -0.047 45.045 45.100 -0.013 0.000 0.921 242 G HN 0.960 nan 8.290 nan 0.000 0.512 243 G N -0.509 108.293 108.800 0.003 0.000 2.599 243 G HA2 0.501 4.463 3.960 0.002 0.000 0.264 243 G HA3 0.501 4.463 3.960 0.002 0.000 0.264 243 G C -2.526 172.374 174.900 -0.001 0.000 1.200 243 G CA -0.895 44.206 45.100 0.002 0.000 0.896 243 G HN 0.480 nan 8.290 nan 0.000 0.536 244 P HA 0.023 nan 4.420 nan 0.000 0.267 244 P C 1.141 178.437 177.300 -0.008 0.000 1.205 244 P CA -0.433 62.651 63.100 -0.025 0.000 0.765 244 P CB 1.283 32.953 31.700 -0.049 0.000 0.828 245 V N 4.244 124.151 119.914 -0.012 0.000 2.546 245 V HA -0.209 3.912 4.120 0.002 0.000 0.254 245 V C 2.144 178.237 176.094 -0.001 0.000 1.076 245 V CA 2.809 65.111 62.300 0.003 0.000 1.087 245 V CB -1.406 30.429 31.823 0.020 0.000 0.674 245 V HN 0.807 nan 8.190 nan 0.000 0.470 246 G N -0.513 108.254 108.800 -0.056 0.000 2.501 246 G HA2 -0.182 3.779 3.960 0.002 0.000 0.220 246 G HA3 -0.182 3.779 3.960 0.002 0.000 0.220 246 G C 1.186 176.086 174.900 -0.000 0.000 1.114 246 G CA 0.824 45.893 45.100 -0.051 0.000 0.757 246 G HN 0.664 nan 8.290 nan 0.000 0.559 247 E N -0.186 120.029 120.200 0.025 0.000 2.481 247 E HA 0.041 4.392 4.350 0.002 0.000 0.198 247 E C 0.132 176.757 176.600 0.042 0.000 1.027 247 E CA -0.421 55.994 56.400 0.026 0.000 0.900 247 E CB 0.159 29.870 29.700 0.020 0.000 0.993 247 E HN 0.493 nan 8.360 nan 0.000 0.482 248 H N 2.123 121.183 119.070 -0.017 0.000 2.652 248 H HA 0.073 4.630 4.556 0.002 0.000 0.349 248 H C -1.655 173.667 175.328 -0.010 0.000 1.099 248 H CA -1.570 54.472 56.048 -0.010 0.000 1.417 248 H CB 1.799 31.557 29.762 -0.006 0.000 1.457 248 H HN -0.259 nan 8.280 nan 0.000 0.568 249 P HA -0.152 nan 4.420 nan 0.000 0.217 249 P C 1.072 178.352 177.300 -0.033 0.000 1.148 249 P CA 1.907 64.880 63.100 -0.212 0.000 0.828 249 P CB 0.009 31.526 31.700 -0.304 0.000 0.783 250 A N -0.314 122.600 122.820 0.156 0.000 2.076 250 A HA -0.169 4.153 4.320 0.002 0.000 0.220 250 A C 2.209 179.853 177.584 0.099 0.000 1.160 250 A CA 1.876 54.027 52.037 0.190 0.000 0.653 250 A CB -1.777 17.403 19.000 0.301 0.000 0.801 250 A HN 0.230 nan 8.150 nan 0.000 0.455 251 V N -2.404 117.564 119.914 0.091 0.000 2.490 251 V HA -0.135 3.987 4.120 0.002 0.000 0.250 251 V C 2.452 178.544 176.094 -0.003 0.000 1.061 251 V CA 1.877 64.195 62.300 0.030 0.000 1.064 251 V CB -1.568 30.266 31.823 0.019 0.000 0.670 251 V HN 0.499 nan 8.190 nan 0.000 0.461 252 A N -0.114 122.705 122.820 -0.001 0.000 1.902 252 A HA -0.178 4.144 4.320 0.002 0.000 0.217 252 A C 2.258 179.831 177.584 -0.019 0.000 1.181 252 A CA 1.784 53.813 52.037 -0.014 0.000 0.623 252 A CB -0.609 18.386 19.000 -0.008 0.000 0.818 252 A HN 0.585 nan 8.150 nan 0.000 0.443 253 E N -0.147 120.047 120.200 -0.009 0.000 2.110 253 E HA -0.127 4.224 4.350 0.002 0.000 0.193 253 E C 2.168 178.730 176.600 -0.063 0.000 0.988 253 E CA 1.432 57.821 56.400 -0.019 0.000 0.804 253 E CB -0.287 29.412 29.700 -0.001 0.000 0.745 253 E HN 0.418 nan 8.360 nan 0.000 0.458 254 V N 0.837 120.708 119.914 -0.072 0.000 2.343 254 V HA -0.214 3.907 4.120 0.002 0.000 0.247 254 V C 2.571 178.530 176.094 -0.224 0.000 1.051 254 V CA 1.174 63.373 62.300 -0.170 0.000 1.036 254 V CB -0.510 31.264 31.823 -0.081 0.000 0.654 254 V HN 0.073 nan 8.190 nan 0.000 0.451 255 V N -0.133 119.710 119.914 -0.119 0.000 2.332 255 V HA -0.278 3.844 4.120 0.002 0.000 0.248 255 V C 2.328 178.360 176.094 -0.103 0.000 1.055 255 V CA 2.015 64.251 62.300 -0.107 0.000 1.038 255 V CB -0.520 31.259 31.823 -0.075 0.000 0.651 255 V HN 0.456 nan 8.190 nan 0.000 0.450 256 L N -0.250 120.931 121.223 -0.069 0.000 2.083 256 L HA -0.165 4.177 4.340 0.002 0.000 0.209 256 L C 2.699 179.548 176.870 -0.034 0.000 1.083 256 L CA 1.539 56.373 54.840 -0.010 0.000 0.752 256 L CB -0.757 41.320 42.059 0.029 0.000 0.899 256 L HN 0.381 nan 8.230 nan 0.000 0.433 257 A N -0.025 122.716 122.820 -0.131 0.000 1.873 257 A HA -0.165 4.156 4.320 0.002 0.000 0.215 257 A C 2.267 179.763 177.584 -0.146 0.000 1.186 257 A CA 1.234 53.177 52.037 -0.156 0.000 0.616 257 A CB -0.673 18.152 19.000 -0.291 0.000 0.823 257 A HN 0.317 nan 8.150 nan 0.000 0.442 258 L N -0.635 120.428 121.223 -0.266 0.000 2.012 258 L HA -0.256 4.085 4.340 0.002 0.000 0.210 258 L C 3.102 179.953 176.870 -0.031 0.000 1.073 258 L CA 1.243 56.027 54.840 -0.094 0.000 0.748 258 L CB -0.459 41.540 42.059 -0.100 0.000 0.891 258 L HN 0.462 nan 8.230 nan 0.000 0.431 259 A N -0.507 122.291 122.820 -0.036 0.000 1.986 259 A HA -0.233 4.088 4.320 0.002 0.000 0.220 259 A C 2.370 180.002 177.584 0.079 0.000 1.171 259 A CA 1.988 54.033 52.037 0.013 0.000 0.640 259 A CB -0.613 18.393 19.000 0.010 0.000 0.811 259 A HN 0.504 nan 8.150 nan 0.000 0.451 260 A N -0.376 122.487 122.820 0.070 0.000 1.903 260 A HA 0.110 4.432 4.320 0.002 0.000 0.213 260 A C 0.934 178.546 177.584 0.047 0.000 1.185 260 A CA 0.244 52.320 52.037 0.065 0.000 0.628 260 A CB -0.236 18.794 19.000 0.049 0.000 0.830 260 A HN 0.586 nan 8.150 nan 0.000 0.446 261 E N -0.644 119.587 120.200 0.051 0.000 2.417 261 E HA 0.353 4.705 4.350 0.002 0.000 0.261 261 E C 0.933 177.553 176.600 0.034 0.000 1.000 261 E CA 0.532 56.964 56.400 0.053 0.000 0.919 261 E CB 0.113 29.866 29.700 0.089 0.000 0.955 261 E HN 0.642 nan 8.360 nan 0.000 0.455 262 G N 3.503 112.318 108.800 0.026 0.000 2.194 262 G HA2 -0.327 3.635 3.960 0.002 0.000 0.236 262 G HA3 -0.327 3.635 3.960 0.002 0.000 0.236 262 G C 0.440 175.349 174.900 0.015 0.000 0.987 262 G CA -0.017 45.092 45.100 0.015 0.000 0.635 262 G HN 0.536 nan 8.290 nan 0.000 0.520 263 R N 1.059 121.572 120.500 0.021 0.000 2.585 263 R HA 0.300 4.642 4.340 0.002 0.000 0.275 263 R C 1.067 177.375 176.300 0.013 0.000 1.018 263 R CA 0.973 57.085 56.100 0.021 0.000 1.072 263 R CB 0.185 30.499 30.300 0.024 0.000 0.953 263 R HN 0.496 nan 8.270 nan 0.000 0.419 264 E N 1.021 121.228 120.200 0.012 0.000 2.330 264 E HA -0.001 4.350 4.350 0.002 0.000 0.200 264 E C -0.550 176.053 176.600 0.005 0.000 0.922 264 E CA 0.232 56.637 56.400 0.008 0.000 0.935 264 E CB 0.476 30.182 29.700 0.009 0.000 0.917 264 E HN 0.526 nan 8.360 nan 0.000 0.491 265 D N -0.224 120.179 120.400 0.005 0.000 2.646 265 D HA 0.066 4.708 4.640 0.002 0.000 0.245 265 D C -0.160 176.136 176.300 -0.006 0.000 1.099 265 D CA -0.169 53.831 54.000 0.000 0.000 0.849 265 D CB 1.494 42.296 40.800 0.003 0.000 1.448 265 D HN -0.202 nan 8.370 nan 0.000 0.489 266 E N 2.545 122.737 120.200 -0.013 0.000 2.498 266 E HA 0.126 4.478 4.350 0.002 0.000 0.203 266 E C 1.301 177.881 176.600 -0.033 0.000 1.013 266 E CA 0.031 56.415 56.400 -0.025 0.000 0.927 266 E CB 0.405 30.090 29.700 -0.025 0.000 1.012 266 E HN 0.476 nan 8.360 nan 0.000 0.482 267 R N 0.817 121.302 120.500 -0.025 0.000 2.189 267 R HA 0.100 4.442 4.340 0.002 0.000 0.218 267 R C 1.175 177.452 176.300 -0.038 0.000 1.074 267 R CA 0.752 56.835 56.100 -0.027 0.000 0.991 267 R CB -0.130 30.161 30.300 -0.016 0.000 0.883 267 R HN 0.186 nan 8.270 nan 0.000 0.457 268 G N -0.735 108.042 108.800 -0.038 0.000 2.750 268 G HA2 -0.143 3.818 3.960 0.002 0.000 0.228 268 G HA3 -0.143 3.818 3.960 0.002 0.000 0.228 268 G C -0.018 174.868 174.900 -0.023 0.000 1.367 268 G CA -0.608 44.465 45.100 -0.046 0.000 0.871 268 G HN 0.503 nan 8.290 nan 0.000 0.560 269 G N -1.769 107.018 108.800 -0.021 0.000 3.209 269 G HA2 0.678 4.639 3.960 0.002 0.000 0.236 269 G HA3 0.678 4.639 3.960 0.002 0.000 0.236 269 G C -1.011 173.898 174.900 0.014 0.000 1.329 269 G CA 0.555 45.664 45.100 0.015 0.000 1.015 269 G HN 0.793 nan 8.290 nan 0.000 0.571 270 D N -1.220 119.217 120.400 0.061 0.000 2.553 270 D HA 0.412 5.054 4.640 0.002 0.000 0.249 270 D C -0.202 176.213 176.300 0.192 0.000 1.062 270 D CA -0.434 53.618 54.000 0.088 0.000 1.085 270 D CB 2.504 43.340 40.800 0.061 0.000 1.350 270 D HN 0.360 nan 8.370 nan 0.000 0.575 271 I N -0.413 120.281 120.570 0.206 0.000 2.634 271 I HA 0.148 4.319 4.170 0.002 0.000 0.284 271 I C 0.217 176.398 176.117 0.107 0.000 1.124 271 I CA 0.009 61.445 61.300 0.227 0.000 1.417 271 I CB 0.533 38.648 38.000 0.192 0.000 1.396 271 I HN 0.048 nan 8.210 nan 0.000 0.571 272 D N 5.273 125.698 120.400 0.043 0.000 2.325 272 D HA 0.030 4.671 4.640 0.002 0.000 0.251 272 D C 0.416 176.764 176.300 0.080 0.000 1.196 272 D CA -0.242 53.785 54.000 0.045 0.000 0.866 272 D CB 1.217 42.016 40.800 -0.002 0.000 1.101 272 D HN 0.659 nan 8.370 nan 0.000 0.476 273 Q N 3.023 122.864 119.800 0.070 0.000 2.123 273 Q HA -0.099 4.242 4.340 0.002 0.000 0.199 273 Q C 1.915 177.947 176.000 0.054 0.000 0.966 273 Q CA 1.013 56.850 55.803 0.057 0.000 0.845 273 Q CB -0.372 28.390 28.738 0.040 0.000 0.907 273 Q HN 0.694 nan 8.270 nan 0.000 0.439 274 A N 0.879 123.743 122.820 0.073 0.000 1.908 274 A HA -0.243 4.078 4.320 0.002 0.000 0.218 274 A C 2.054 179.672 177.584 0.056 0.000 1.181 274 A CA 1.796 53.877 52.037 0.073 0.000 0.627 274 A CB -0.884 18.180 19.000 0.106 0.000 0.818 274 A HN 0.458 nan 8.150 nan 0.000 0.445 275 H N -0.156 118.929 119.070 0.024 0.000 2.357 275 H HA -0.017 4.540 4.556 0.002 0.000 0.301 275 H C 2.292 177.678 175.328 0.096 0.000 1.082 275 H CA 1.639 57.734 56.048 0.079 0.000 1.342 275 H CB -0.155 29.652 29.762 0.075 0.000 1.389 275 H HN 0.414 nan 8.280 nan 0.000 0.511 276 A N 0.871 123.782 122.820 0.152 0.000 1.969 276 A HA -0.140 4.181 4.320 0.002 0.000 0.218 276 A C 2.341 179.888 177.584 -0.061 0.000 1.169 276 A CA 1.470 53.562 52.037 0.092 0.000 0.635 276 A CB -0.373 18.674 19.000 0.078 0.000 0.810 276 A HN 0.559 nan 8.150 nan 0.000 0.445 277 E N -0.319 119.778 120.200 -0.173 0.000 2.106 277 E HA -0.065 4.286 4.350 0.002 0.000 0.192 277 E C 2.319 178.422 176.600 -0.827 0.000 0.984 277 E CA 0.827 57.009 56.400 -0.363 0.000 0.806 277 E CB -0.249 29.277 29.700 -0.289 0.000 0.750 277 E HN 0.618 nan 8.360 nan 0.000 0.458 278 A N 0.437 122.651 122.820 -1.010 0.000 1.908 278 A HA -0.189 4.132 4.320 0.002 0.000 0.218 278 A C 1.691 178.733 177.584 -0.905 0.000 1.181 278 A CA 1.295 52.534 52.037 -1.330 0.000 0.627 278 A CB -0.934 17.558 19.000 -0.846 0.000 0.818 278 A HN 0.368 nan 8.150 nan 0.000 0.445 279 W N -0.584 120.463 121.300 -0.422 0.000 2.476 279 W HA 0.156 4.818 4.660 0.003 0.000 0.281 279 W C 2.716 179.135 176.519 -0.167 0.000 1.230 279 W CA 0.922 58.123 57.345 -0.240 0.000 1.287 279 W CB -0.143 29.193 29.460 -0.207 0.000 1.108 279 W HN 0.373 nan 8.180 nan 0.000 0.567 280 A N 0.540 123.332 122.820 -0.046 0.000 1.902 280 A HA -0.099 4.223 4.320 0.002 0.000 0.217 280 A C 2.087 179.650 177.584 -0.035 0.000 1.181 280 A CA 2.311 54.333 52.037 -0.025 0.000 0.623 280 A CB -1.209 17.757 19.000 -0.057 0.000 0.818 280 A HN 0.180 nan 8.150 nan 0.000 0.443 281 A N -0.322 122.381 122.820 -0.194 0.000 1.902 281 A HA -0.038 4.284 4.320 0.002 0.000 0.217 281 A C 2.141 179.763 177.584 0.062 0.000 1.181 281 A CA 1.517 53.487 52.037 -0.112 0.000 0.623 281 A CB -0.532 18.183 19.000 -0.475 0.000 0.818 281 A HN 0.544 nan 8.150 nan 0.000 0.443 282 L N -0.062 121.164 121.223 0.006 0.000 2.017 282 L HA -0.166 4.176 4.340 0.002 0.000 0.208 282 L C 2.439 179.358 176.870 0.082 0.000 1.073 282 L CA 2.084 57.005 54.840 0.135 0.000 0.745 282 L CB -0.963 41.055 42.059 -0.068 0.000 0.894 282 L HN 0.431 nan 8.230 nan 0.000 0.432 283 R N -1.052 119.502 120.500 0.090 0.000 2.091 283 R HA -0.228 4.113 4.340 0.002 0.000 0.238 283 R C 2.314 178.699 176.300 0.141 0.000 1.136 283 R CA 1.576 57.727 56.100 0.084 0.000 0.959 283 R CB -0.806 29.570 30.300 0.128 0.000 0.856 283 R HN 0.637 nan 8.270 nan 0.000 0.437 284 H N 0.979 120.092 119.070 0.071 0.000 2.387 284 H HA -0.124 4.433 4.556 0.002 0.000 0.299 284 H C 2.118 177.504 175.328 0.097 0.000 1.099 284 H CA 1.548 57.647 56.048 0.085 0.000 1.315 284 H CB 0.035 29.838 29.762 0.068 0.000 1.380 284 H HN 0.213 nan 8.280 nan 0.000 0.513 285 L N 0.496 121.657 121.223 -0.103 0.000 2.072 285 L HA -0.055 4.286 4.340 0.002 0.000 0.205 285 L C 2.791 179.634 176.870 -0.045 0.000 1.079 285 L CA 1.338 56.098 54.840 -0.134 0.000 0.752 285 L CB -0.530 41.508 42.059 -0.034 0.000 0.906 285 L HN 0.346 nan 8.230 nan 0.000 0.436 286 A N -0.314 122.491 122.820 -0.025 0.000 1.933 286 A HA -0.219 4.102 4.320 0.002 0.000 0.218 286 A C 2.080 179.790 177.584 0.211 0.000 1.175 286 A CA 1.760 53.778 52.037 -0.032 0.000 0.628 286 A CB -0.510 18.242 19.000 -0.414 0.000 0.814 286 A HN 0.602 nan 8.150 nan 0.000 0.444 287 E N -0.453 119.887 120.200 0.234 0.000 2.150 287 E HA -0.147 4.204 4.350 0.002 0.000 0.193 287 E C 2.137 178.842 176.600 0.175 0.000 0.985 287 E CA 0.867 57.443 56.400 0.292 0.000 0.814 287 E CB -0.148 29.709 29.700 0.262 0.000 0.752 287 E HN 0.594 nan 8.360 nan 0.000 0.466 288 R N 0.253 120.810 120.500 0.094 0.000 2.193 288 R HA 0.087 4.429 4.340 0.002 0.000 0.213 288 R C 0.853 177.186 176.300 0.056 0.000 1.055 288 R CA 0.529 56.660 56.100 0.052 0.000 0.995 288 R CB 0.214 30.499 30.300 -0.025 0.000 0.893 288 R HN 0.096 nan 8.270 nan 0.000 0.459 289 G N -0.214 108.630 108.800 0.074 0.000 2.721 289 G HA2 0.158 4.119 3.960 0.002 0.000 0.686 289 G HA3 0.158 4.119 3.960 0.002 0.000 0.686 289 G C -0.307 174.602 174.900 0.013 0.000 1.236 289 G CA -0.702 44.436 45.100 0.063 0.000 0.786 289 G HN 0.557 nan 8.290 nan 0.000 0.616 290 G N 0.090 108.892 108.800 0.003 0.000 2.349 290 G HA2 0.797 4.759 3.960 0.002 0.000 0.294 290 G HA3 0.797 4.759 3.960 0.002 0.000 0.294 290 G C -1.133 173.747 174.900 -0.034 0.000 1.380 290 G CA -0.585 44.497 45.100 -0.030 0.000 0.811 290 G HN 0.891 nan 8.290 nan 0.000 0.519 291 R N -0.778 119.686 120.500 -0.060 0.000 2.686 291 R HA 0.741 5.082 4.340 0.002 0.000 0.286 291 R C -1.064 175.176 176.300 -0.100 0.000 0.969 291 R CA -0.760 55.304 56.100 -0.060 0.000 0.898 291 R CB 2.323 32.590 30.300 -0.055 0.000 1.183 291 R HN 0.366 nan 8.270 nan 0.000 0.456 292 L N 2.214 123.388 121.223 -0.082 0.000 2.482 292 L HA 0.484 4.825 4.340 0.002 0.000 0.269 292 L C 0.769 177.566 176.870 -0.121 0.000 0.967 292 L CA -0.617 54.134 54.840 -0.148 0.000 0.851 292 L CB 1.860 43.836 42.059 -0.138 0.000 1.242 292 L HN 0.969 nan 8.230 nan 0.000 0.404 293 G N 2.841 111.506 108.800 -0.225 0.000 2.622 293 G HA2 -0.317 3.644 3.960 0.002 0.000 0.307 293 G HA3 -0.317 3.644 3.960 0.002 0.000 0.307 293 G C 0.412 175.284 174.900 -0.046 0.000 1.226 293 G CA 0.590 45.580 45.100 -0.184 0.000 0.997 293 G HN 0.745 nan 8.290 nan 0.000 0.551 294 E N -0.138 120.086 120.200 0.040 0.000 2.419 294 E HA 0.406 4.758 4.350 0.002 0.000 0.190 294 E C -0.171 176.294 176.600 -0.224 0.000 1.040 294 E CA -0.135 56.166 56.400 -0.165 0.000 0.900 294 E CB 0.746 30.250 29.700 -0.326 0.000 1.054 294 E HN 0.240 nan 8.360 nan 0.000 0.462 295 V N 1.934 121.857 119.914 0.014 0.000 2.495 295 V HA 0.226 4.348 4.120 0.002 0.000 0.298 295 V C -0.595 175.513 176.094 0.022 0.000 1.031 295 V CA -0.941 61.398 62.300 0.064 0.000 0.871 295 V CB 1.840 33.813 31.823 0.250 0.000 0.988 295 V HN 0.126 nan 8.190 nan 0.000 0.432 296 L N 6.416 127.632 121.223 -0.012 0.000 2.275 296 L HA 0.622 4.964 4.340 0.002 0.000 0.288 296 L C -0.868 176.015 176.870 0.022 0.000 1.046 296 L CA 0.156 54.988 54.840 -0.013 0.000 0.805 296 L CB 1.063 43.097 42.059 -0.042 0.000 1.193 296 L HN 0.503 nan 8.230 nan 0.000 0.426 297 L N 4.970 126.216 121.223 0.038 0.000 2.296 297 L HA 0.651 4.992 4.340 0.002 0.000 0.286 297 L C -0.176 176.757 176.870 0.105 0.000 1.023 297 L CA 0.103 54.990 54.840 0.079 0.000 0.812 297 L CB 1.945 44.035 42.059 0.052 0.000 1.223 297 L HN 0.602 nan 8.230 nan 0.000 0.421 298 T N 3.831 118.481 114.554 0.160 0.000 2.937 298 T HA 0.439 4.790 4.350 0.002 0.000 0.297 298 T C -2.711 172.139 174.700 0.250 0.000 0.991 298 T CA -1.296 60.895 62.100 0.153 0.000 0.990 298 T CB 1.842 70.749 68.868 0.064 0.000 0.991 298 T HN 0.161 nan 8.240 nan 0.000 0.440 299 P HA 0.169 nan 4.420 nan 0.000 0.268 299 P C -1.206 176.172 177.300 0.129 0.000 1.204 299 P CA -0.297 62.884 63.100 0.135 0.000 0.768 299 P CB 0.251 32.010 31.700 0.098 0.000 0.842 300 Y N 3.598 123.822 120.300 -0.126 0.000 2.628 300 Y HA 0.455 5.006 4.550 0.002 0.000 0.354 300 Y C 0.953 176.791 175.900 -0.104 0.000 1.061 300 Y CA 0.068 58.124 58.100 -0.073 0.000 1.251 300 Y CB 0.279 38.720 38.460 -0.032 0.000 1.098 300 Y HN 0.789 nan 8.280 nan 0.000 0.626 301 G N 2.981 111.674 108.800 -0.177 0.000 2.634 301 G HA2 -0.388 3.573 3.960 0.002 0.000 0.318 301 G HA3 -0.388 3.573 3.960 0.002 0.000 0.318 301 G C 1.123 175.892 174.900 -0.218 0.000 1.207 301 G CA 0.387 45.353 45.100 -0.223 0.000 0.987 301 G HN 1.435 nan 8.290 nan 0.000 0.547 302 G N -0.033 108.627 108.800 -0.234 0.000 3.189 302 G HA2 0.558 4.519 3.960 0.002 0.000 0.225 302 G HA3 0.558 4.519 3.960 0.002 0.000 0.225 302 G C 0.613 175.348 174.900 -0.276 0.000 1.159 302 G CA 0.604 45.573 45.100 -0.219 0.000 0.763 302 G HN 0.617 nan 8.290 nan 0.000 0.549 303 L N -1.065 119.982 121.223 -0.294 0.000 2.299 303 L HA 0.703 5.045 4.340 0.002 0.000 0.268 303 L C -0.927 175.692 176.870 -0.418 0.000 1.012 303 L CA -1.236 53.470 54.840 -0.224 0.000 0.816 303 L CB 1.570 43.635 42.059 0.009 0.000 1.355 303 L HN -0.114 nan 8.230 nan 0.000 0.457 304 F N -0.311 119.744 119.950 0.175 0.000 2.529 304 F HA 0.385 4.913 4.527 0.002 0.000 0.320 304 F C 0.112 176.003 175.800 0.151 0.000 1.118 304 F CA -0.592 57.504 58.000 0.160 0.000 0.915 304 F CB 1.736 40.812 39.000 0.127 0.000 1.161 304 F HN 0.319 nan 8.300 nan 0.000 0.445 305 E N 3.102 123.467 120.200 0.274 0.000 2.231 305 E HA 0.640 4.992 4.350 0.002 0.000 0.277 305 E C -1.669 175.014 176.600 0.138 0.000 0.999 305 E CA -0.664 55.806 56.400 0.116 0.000 0.827 305 E CB 1.329 30.969 29.700 -0.100 0.000 1.101 305 E HN 0.506 nan 8.360 nan 0.000 0.393 306 L N 3.931 125.240 121.223 0.143 0.000 2.381 306 L HA 0.591 4.932 4.340 0.002 0.000 0.268 306 L C -0.298 176.584 176.870 0.019 0.000 0.997 306 L CA -0.489 54.450 54.840 0.165 0.000 0.818 306 L CB 1.888 44.145 42.059 0.329 0.000 1.310 306 L HN 0.622 nan 8.230 nan 0.000 0.416 307 R N -0.367 119.991 120.500 -0.238 0.000 2.747 307 R HA 0.508 4.850 4.340 0.002 0.000 0.272 307 R C -1.014 174.896 176.300 -0.650 0.000 1.032 307 R CA -0.985 54.630 56.100 -0.807 0.000 0.896 307 R CB 0.899 30.906 30.300 -0.489 0.000 1.253 307 R HN 0.486 nan 8.270 nan 0.000 0.461 308 H N 0.872 119.402 119.070 -0.899 0.000 2.732 308 H HA 0.024 4.582 4.556 0.002 0.000 0.351 308 H C 0.570 175.771 175.328 -0.211 0.000 1.090 308 H CA 1.449 57.287 56.048 -0.349 0.000 1.431 308 H CB 1.643 31.233 29.762 -0.288 0.000 1.447 308 H HN 0.807 nan 8.280 nan 0.000 0.582 309 T N 2.198 116.748 114.554 -0.007 0.000 2.803 309 T HA -0.133 4.218 4.350 0.002 0.000 0.269 309 T C 2.344 177.119 174.700 0.124 0.000 1.052 309 T CA 0.955 63.078 62.100 0.039 0.000 1.136 309 T CB -0.155 68.710 68.868 -0.005 0.000 0.864 309 T HN 0.551 nan 8.240 nan 0.000 0.467 310 L N 0.829 122.260 121.223 0.347 0.000 2.353 310 L HA -0.016 4.325 4.340 0.002 0.000 0.220 310 L C 1.747 178.590 176.870 -0.044 0.000 1.133 310 L CA 1.056 55.936 54.840 0.066 0.000 0.798 310 L CB -0.367 41.631 42.059 -0.103 0.000 0.922 310 L HN 0.221 nan 8.230 nan 0.000 0.445 311 D N -0.561 119.803 120.400 -0.059 0.000 2.363 311 D HA -0.007 4.634 4.640 0.002 0.000 0.214 311 D C 0.599 176.836 176.300 -0.104 0.000 1.093 311 D CA 0.052 53.978 54.000 -0.123 0.000 0.837 311 D CB 0.182 40.856 40.800 -0.210 0.000 0.948 311 D HN 0.304 nan 8.370 nan 0.000 0.507 312 E N 0.308 120.464 120.200 -0.072 0.000 2.652 312 E HA 0.079 4.430 4.350 0.002 0.000 0.255 312 E C 1.115 177.681 176.600 -0.057 0.000 0.952 312 E CA 0.844 57.206 56.400 -0.062 0.000 0.947 312 E CB 0.158 29.835 29.700 -0.040 0.000 0.912 312 E HN 0.311 nan 8.360 nan 0.000 0.489 313 G N 4.091 112.857 108.800 -0.058 0.000 2.179 313 G HA2 -0.369 3.593 3.960 0.002 0.000 0.260 313 G HA3 -0.369 3.593 3.960 0.002 0.000 0.260 313 G C 0.423 175.292 174.900 -0.052 0.000 0.977 313 G CA 0.442 45.513 45.100 -0.048 0.000 0.641 313 G HN 0.635 nan 8.290 nan 0.000 0.533 314 R N 1.004 121.463 120.500 -0.067 0.000 2.539 314 R HA 0.617 4.959 4.340 0.002 0.000 0.275 314 R C 0.984 177.246 176.300 -0.062 0.000 1.077 314 R CA 0.212 56.272 56.100 -0.066 0.000 1.097 314 R CB 0.322 30.572 30.300 -0.084 0.000 1.018 314 R HN 0.656 nan 8.270 nan 0.000 0.483 315 A N 2.937 125.729 122.820 -0.047 0.000 2.477 315 A HA 0.074 4.395 4.320 0.002 0.000 0.246 315 A C 1.103 178.662 177.584 -0.042 0.000 1.078 315 A CA -0.080 51.934 52.037 -0.038 0.000 0.770 315 A CB 0.423 19.408 19.000 -0.026 0.000 1.011 315 A HN 0.975 nan 8.150 nan 0.000 0.494 316 T N 2.453 116.983 114.554 -0.039 0.000 2.699 316 T HA -0.163 4.189 4.350 0.002 0.000 0.268 316 T C 1.509 176.197 174.700 -0.020 0.000 1.036 316 T CA 1.929 64.006 62.100 -0.038 0.000 1.147 316 T CB -0.356 68.495 68.868 -0.030 0.000 0.862 316 T HN 0.513 nan 8.240 nan 0.000 0.446 317 L N 0.595 121.811 121.223 -0.012 0.000 2.599 317 L HA 0.094 4.436 4.340 0.002 0.000 0.230 317 L C 1.605 178.472 176.870 -0.005 0.000 1.141 317 L CA 0.525 55.364 54.840 -0.002 0.000 0.877 317 L CB -0.186 41.874 42.059 0.002 0.000 1.009 317 L HN 0.119 nan 8.230 nan 0.000 0.447 318 D N 0.057 120.448 120.400 -0.015 0.000 2.325 318 D HA 0.204 4.845 4.640 0.002 0.000 0.225 318 D C 0.112 176.400 176.300 -0.021 0.000 1.096 318 D CA 0.323 54.313 54.000 -0.018 0.000 0.844 318 D CB 0.287 41.071 40.800 -0.026 0.000 0.925 318 D HN 0.114 nan 8.370 nan 0.000 0.513 319 L N 0.207 121.421 121.223 -0.015 0.000 2.354 319 L HA 0.427 4.769 4.340 0.002 0.000 0.264 319 L C -0.177 176.711 176.870 0.029 0.000 1.008 319 L CA -1.066 53.770 54.840 -0.008 0.000 0.819 319 L CB 2.311 44.344 42.059 -0.043 0.000 1.339 319 L HN -0.254 nan 8.230 nan 0.000 0.420 320 Q N 1.118 120.959 119.800 0.069 0.000 2.349 320 Q HA 0.305 4.647 4.340 0.002 0.000 0.254 320 Q C -1.109 174.960 176.000 0.116 0.000 0.980 320 Q CA -0.317 55.540 55.803 0.089 0.000 0.924 320 Q CB 1.184 29.987 28.738 0.109 0.000 1.209 320 Q HN 0.582 nan 8.270 nan 0.000 0.445 321 T N 3.365 117.970 114.554 0.086 0.000 2.845 321 T HA 0.471 4.823 4.350 0.002 0.000 0.288 321 T C -0.412 174.344 174.700 0.094 0.000 0.980 321 T CA -0.582 61.575 62.100 0.096 0.000 1.071 321 T CB 1.024 69.932 68.868 0.066 0.000 0.941 321 T HN 0.503 nan 8.240 nan 0.000 0.487 322 V N 1.063 121.043 119.914 0.110 0.000 2.960 322 V HA 0.809 4.930 4.120 0.002 0.000 0.315 322 V C 0.463 176.610 176.094 0.088 0.000 1.087 322 V CA -0.924 61.426 62.300 0.082 0.000 0.982 322 V CB 1.713 33.571 31.823 0.059 0.000 1.039 322 V HN 0.709 nan 8.190 nan 0.000 0.437 323 V N -1.291 118.666 119.914 0.070 0.000 3.252 323 V HA 0.461 4.582 4.120 0.002 0.000 0.320 323 V C 0.422 176.554 176.094 0.065 0.000 1.459 323 V CA 0.697 63.043 62.300 0.078 0.000 1.095 323 V CB -0.428 31.440 31.823 0.075 0.000 0.997 323 V HN 1.253 nan 8.190 nan 0.000 0.469 324 T N -3.266 111.317 114.554 0.048 0.000 2.893 324 T HA 0.661 5.013 4.350 0.002 0.000 0.291 324 T C -2.062 172.649 174.700 0.019 0.000 1.028 324 T CA -1.656 60.464 62.100 0.034 0.000 0.995 324 T CB 2.181 71.062 68.868 0.023 0.000 1.051 324 T HN -0.024 nan 8.240 nan 0.000 0.470 325 P HA -0.100 nan 4.420 nan 0.000 0.216 325 P C 1.116 178.398 177.300 -0.029 0.000 1.153 325 P CA 1.199 64.295 63.100 -0.005 0.000 0.858 325 P CB 0.107 31.807 31.700 -0.000 0.000 0.789 326 E N -0.775 119.415 120.200 -0.016 0.000 2.077 326 E HA -0.099 4.253 4.350 0.002 0.000 0.193 326 E C 2.301 178.879 176.600 -0.037 0.000 0.989 326 E CA 1.560 57.947 56.400 -0.021 0.000 0.800 326 E CB -1.333 28.365 29.700 -0.004 0.000 0.746 326 E HN 0.250 nan 8.360 nan 0.000 0.452 327 G N 0.683 109.466 108.800 -0.029 0.000 2.422 327 G HA2 -0.205 3.756 3.960 0.002 0.000 0.218 327 G HA3 -0.205 3.756 3.960 0.002 0.000 0.218 327 G C 1.498 176.344 174.900 -0.089 0.000 1.140 327 G CA 0.590 45.668 45.100 -0.037 0.000 0.775 327 G HN 0.196 nan 8.290 nan 0.000 0.545 328 L N 0.877 122.034 121.223 -0.110 0.000 2.017 328 L HA 0.050 4.392 4.340 0.002 0.000 0.208 328 L C 2.628 179.303 176.870 -0.325 0.000 1.073 328 L CA 2.028 56.724 54.840 -0.239 0.000 0.745 328 L CB -0.585 41.364 42.059 -0.183 0.000 0.894 328 L HN 0.153 nan 8.230 nan 0.000 0.432 329 R N -0.107 120.264 120.500 -0.214 0.000 2.096 329 R HA -0.206 4.135 4.340 0.002 0.000 0.240 329 R C 1.877 178.054 176.300 -0.206 0.000 1.139 329 R CA 2.283 58.260 56.100 -0.204 0.000 0.952 329 R CB -0.813 29.419 30.300 -0.113 0.000 0.854 329 R HN 0.474 nan 8.270 nan 0.000 0.436 330 D N 0.572 120.887 120.400 -0.142 0.000 2.097 330 D HA -0.142 4.499 4.640 0.002 0.000 0.195 330 D C 1.944 178.159 176.300 -0.141 0.000 0.989 330 D CA 0.810 54.750 54.000 -0.100 0.000 0.827 330 D CB -0.235 40.536 40.800 -0.049 0.000 0.966 330 D HN 0.134 nan 8.370 nan 0.000 0.456 331 L N 0.653 121.761 121.223 -0.192 0.000 2.265 331 L HA -0.087 4.254 4.340 0.002 0.000 0.215 331 L C 2.183 178.853 176.870 -0.334 0.000 1.117 331 L CA 1.495 56.201 54.840 -0.224 0.000 0.782 331 L CB -1.139 40.780 42.059 -0.233 0.000 0.914 331 L HN 0.158 nan 8.230 nan 0.000 0.441 332 T N -5.541 108.753 114.554 -0.434 0.000 3.069 332 T HA 0.275 4.627 4.350 0.002 0.000 0.252 332 T C 1.655 176.145 174.700 -0.350 0.000 1.053 332 T CA 0.406 62.240 62.100 -0.443 0.000 0.964 332 T CB 0.092 68.592 68.868 -0.613 0.000 1.005 332 T HN 0.135 nan 8.240 nan 0.000 0.532 333 A N 1.612 124.234 122.820 -0.331 0.000 2.066 333 A HA 0.271 4.593 4.320 0.002 0.000 0.218 333 A C 1.242 178.549 177.584 -0.462 0.000 1.157 333 A CA 0.266 52.010 52.037 -0.489 0.000 0.670 333 A CB -0.079 18.693 19.000 -0.381 0.000 0.804 333 A HN 0.510 nan 8.150 nan 0.000 0.453 334 R N 0.014 120.394 120.500 -0.200 0.000 2.807 334 R HA 0.421 4.763 4.340 0.002 0.000 0.276 334 R C -1.104 175.168 176.300 -0.046 0.000 0.979 334 R CA -0.575 55.476 56.100 -0.082 0.000 0.928 334 R CB 1.220 31.547 30.300 0.044 0.000 1.191 334 R HN 0.406 nan 8.270 nan 0.000 0.471 335 D N 0.166 120.563 120.400 -0.006 0.000 2.414 335 D HA -0.020 4.622 4.640 0.002 0.000 0.259 335 D C 0.354 176.683 176.300 0.048 0.000 1.269 335 D CA -0.316 53.704 54.000 0.035 0.000 1.028 335 D CB 0.479 41.313 40.800 0.057 0.000 1.093 335 D HN 0.514 nan 8.370 nan 0.000 0.545 336 E N -1.136 119.097 120.200 0.055 0.000 2.338 336 E HA -0.063 4.288 4.350 0.002 0.000 0.197 336 E C 1.508 178.135 176.600 0.044 0.000 1.007 336 E CA 0.939 57.367 56.400 0.047 0.000 0.849 336 E CB -0.143 29.578 29.700 0.035 0.000 0.774 336 E HN 0.532 nan 8.360 nan 0.000 0.506 337 A N 0.127 122.977 122.820 0.049 0.000 2.251 337 A HA 0.282 4.603 4.320 0.002 0.000 0.209 337 A C 1.669 179.287 177.584 0.056 0.000 1.187 337 A CA 0.687 52.754 52.037 0.050 0.000 0.823 337 A CB -0.110 18.923 19.000 0.055 0.000 0.846 337 A HN 0.297 nan 8.150 nan 0.000 0.486 338 G N -0.650 108.186 108.800 0.060 0.000 2.132 338 G HA2 -0.232 3.730 3.960 0.002 0.000 0.234 338 G HA3 -0.232 3.730 3.960 0.002 0.000 0.234 338 G C 0.156 175.115 174.900 0.097 0.000 0.989 338 G CA 0.162 45.305 45.100 0.071 0.000 0.676 338 G HN 0.612 nan 8.290 nan 0.000 0.522 339 R N -0.684 119.873 120.500 0.095 0.000 2.428 339 R HA 0.372 4.714 4.340 0.002 0.000 0.294 339 R C 0.502 176.886 176.300 0.141 0.000 1.000 339 R CA -0.767 55.408 56.100 0.125 0.000 0.960 339 R CB 1.079 31.444 30.300 0.108 0.000 1.076 339 R HN 0.330 nan 8.270 nan 0.000 0.475 340 W N 3.537 124.800 121.300 -0.062 0.000 2.148 340 W HA 0.008 4.669 4.660 0.003 0.000 0.347 340 W C -0.447 175.978 176.519 -0.157 0.000 1.288 340 W CA 0.073 57.349 57.345 -0.114 0.000 1.252 340 W CB 0.607 29.980 29.460 -0.145 0.000 1.156 340 W HN 0.386 nan 8.180 nan 0.000 0.580 341 R N 5.842 125.915 120.500 -0.712 0.000 2.396 341 R HA 0.137 4.479 4.340 0.002 0.000 0.292 341 R C -1.496 174.344 176.300 -0.766 0.000 1.240 341 R CA -1.373 54.362 56.100 -0.608 0.000 1.270 341 R CB 1.005 31.042 30.300 -0.438 0.000 1.108 341 R HN 0.318 nan 8.270 nan 0.000 0.573 342 P HA -0.064 nan 4.420 nan 0.000 0.219 342 P C 0.305 177.367 177.300 -0.396 0.000 1.150 342 P CA 0.974 63.814 63.100 -0.434 0.000 0.814 342 P CB 0.440 31.972 31.700 -0.281 0.000 0.787 343 I N 0.921 121.166 120.570 -0.543 0.000 2.337 343 I HA 0.252 4.423 4.170 0.002 0.000 0.285 343 I C 1.596 177.570 176.117 -0.238 0.000 1.041 343 I CA -0.663 60.396 61.300 -0.402 0.000 1.199 343 I CB 0.813 38.488 38.000 -0.542 0.000 1.370 343 I HN -0.142 nan 8.210 nan 0.000 0.470 344 R N 2.216 122.656 120.500 -0.100 0.000 2.280 344 R HA -0.057 4.284 4.340 0.002 0.000 0.207 344 R C 1.494 177.921 176.300 0.211 0.000 1.043 344 R CA 1.148 57.234 56.100 -0.023 0.000 1.006 344 R CB 0.062 30.327 30.300 -0.059 0.000 0.885 344 R HN 0.729 nan 8.270 nan 0.000 0.467 345 T N -3.069 111.637 114.554 0.253 0.000 3.129 345 T HA 0.014 4.365 4.350 0.002 0.000 0.251 345 T C 0.174 175.075 174.700 0.335 0.000 1.117 345 T CA -0.405 61.866 62.100 0.285 0.000 1.034 345 T CB -0.042 68.912 68.868 0.144 0.000 0.968 345 T HN 0.044 nan 8.240 nan 0.000 0.526 346 W N 2.654 123.973 121.300 0.032 0.000 2.170 346 W HA 0.318 4.980 4.660 0.003 0.000 0.342 346 W C 1.199 177.741 176.519 0.039 0.000 1.294 346 W CA -1.635 55.717 57.345 0.011 0.000 1.246 346 W CB 0.228 29.675 29.460 -0.022 0.000 1.156 346 W HN 0.026 nan 8.180 nan 0.000 0.572 347 R N 2.080 122.660 120.500 0.133 0.000 4.902 347 R HA 0.013 4.354 4.340 0.002 0.000 0.201 347 R C 0.572 176.955 176.300 0.137 0.000 2.020 347 R CA 0.751 56.909 56.100 0.096 0.000 1.674 347 R CB -0.641 29.659 30.300 -0.000 0.000 1.349 347 R HN 0.615 nan 8.270 nan 0.000 0.813 348 T N -2.823 111.847 114.554 0.193 0.000 3.209 348 T HA 0.090 4.442 4.350 0.002 0.000 0.295 348 T C 0.267 175.070 174.700 0.172 0.000 0.977 348 T CA -0.561 61.645 62.100 0.177 0.000 0.922 348 T CB 0.086 69.076 68.868 0.205 0.000 1.152 348 T HN 0.108 nan 8.240 nan 0.000 0.527 349 L N 4.961 126.315 121.223 0.218 0.000 2.601 349 L HA 0.291 4.633 4.340 0.002 0.000 0.277 349 L C -2.107 174.973 176.870 0.349 0.000 1.219 349 L CA -1.207 53.781 54.840 0.247 0.000 0.915 349 L CB 0.196 42.403 42.059 0.247 0.000 1.160 349 L HN 0.063 nan 8.230 nan 0.000 0.494 350 P HA 0.136 nan 4.420 nan 0.000 0.274 350 P C -0.793 176.711 177.300 0.341 0.000 1.231 350 P CA -0.324 62.918 63.100 0.236 0.000 0.790 350 P CB 0.712 32.514 31.700 0.169 0.000 0.951 351 R N 0.203 120.735 120.500 0.054 0.000 2.546 351 R HA 0.523 4.864 4.340 0.002 0.000 0.266 351 R C 1.154 177.480 176.300 0.043 0.000 1.086 351 R CA 0.395 56.440 56.100 -0.093 0.000 1.160 351 R CB 0.075 30.231 30.300 -0.240 0.000 1.138 351 R HN 0.827 nan 8.270 nan 0.000 0.567 352 G N -0.129 108.619 108.800 -0.086 0.000 2.192 352 G HA2 -0.140 3.822 3.960 0.002 0.000 0.193 352 G HA3 -0.140 3.822 3.960 0.002 0.000 0.193 352 G C -0.494 174.438 174.900 0.054 0.000 0.999 352 G CA -0.166 44.931 45.100 -0.004 0.000 0.659 352 G HN 0.644 nan 8.290 nan 0.000 0.503 353 W N -0.196 121.106 121.300 0.004 0.000 2.820 353 W HA 0.895 5.557 4.660 0.002 0.000 0.350 353 W C -0.395 176.126 176.519 0.005 0.000 1.116 353 W CA -1.423 55.925 57.345 0.004 0.000 1.146 353 W CB 1.150 30.612 29.460 0.004 0.000 1.433 353 W HN 0.285 nan 8.180 nan 0.000 0.561 354 R N 1.062 121.728 120.500 0.276 0.000 2.566 354 R HA 0.604 4.946 4.340 0.002 0.000 0.271 354 R C -1.800 174.689 176.300 0.315 0.000 1.071 354 R CA -0.393 55.798 56.100 0.153 0.000 0.915 354 R CB 1.980 32.282 30.300 0.004 0.000 1.228 354 R HN 0.726 nan 8.270 nan 0.000 0.449 355 A N 3.367 126.383 122.820 0.328 0.000 2.343 355 A HA 0.629 4.950 4.320 0.002 0.000 0.316 355 A C -1.233 176.457 177.584 0.177 0.000 1.104 355 A CA -0.633 51.552 52.037 0.247 0.000 0.768 355 A CB 1.835 20.992 19.000 0.262 0.000 1.213 355 A HN 0.378 nan 8.150 nan 0.000 0.456 356 V N 4.037 124.042 119.914 0.153 0.000 2.378 356 V HA 0.456 4.578 4.120 0.002 0.000 0.288 356 V C -0.371 175.829 176.094 0.177 0.000 1.016 356 V CA -0.170 62.235 62.300 0.175 0.000 0.840 356 V CB 0.848 32.783 31.823 0.186 0.000 0.994 356 V HN 0.765 nan 8.190 nan 0.000 0.431 357 L N 3.957 125.309 121.223 0.216 0.000 2.381 357 L HA 0.601 4.942 4.340 0.002 0.000 0.268 357 L C 0.561 177.569 176.870 0.229 0.000 0.997 357 L CA -0.498 54.466 54.840 0.206 0.000 0.818 357 L CB 2.605 44.793 42.059 0.216 0.000 1.310 357 L HN 0.752 nan 8.230 nan 0.000 0.416 358 S N 1.494 117.296 115.700 0.170 0.000 2.593 358 S HA 0.247 4.718 4.470 0.002 0.000 0.269 358 S C -1.930 172.822 174.600 0.253 0.000 1.334 358 S CA -0.911 57.382 58.200 0.154 0.000 1.015 358 S CB 0.999 64.256 63.200 0.095 0.000 0.912 358 S HN 0.430 nan 8.310 nan 0.000 0.541 359 P HA -0.113 nan 4.420 nan 0.000 0.216 359 P C 1.556 178.983 177.300 0.213 0.000 1.150 359 P CA 2.042 65.355 63.100 0.355 0.000 0.843 359 P CB -0.278 31.577 31.700 0.259 0.000 0.787 360 A N -0.549 122.350 122.820 0.131 0.000 1.972 360 A HA -0.196 4.125 4.320 0.002 0.000 0.219 360 A C 1.844 179.463 177.584 0.057 0.000 1.169 360 A CA 2.025 54.109 52.037 0.079 0.000 0.635 360 A CB -1.122 17.912 19.000 0.057 0.000 0.810 360 A HN 0.097 nan 8.150 nan 0.000 0.446 361 D N -1.270 119.178 120.400 0.080 0.000 2.354 361 D HA 0.059 4.701 4.640 0.002 0.000 0.209 361 D C 1.616 177.951 176.300 0.058 0.000 1.015 361 D CA 0.045 54.080 54.000 0.057 0.000 0.867 361 D CB 0.045 40.890 40.800 0.074 0.000 0.933 361 D HN 0.285 nan 8.370 nan 0.000 0.520 362 L N 1.224 122.503 121.223 0.093 0.000 2.043 362 L HA -0.158 4.184 4.340 0.002 0.000 0.212 362 L C 2.231 179.117 176.870 0.027 0.000 1.075 362 L CA 1.744 56.620 54.840 0.060 0.000 0.752 362 L CB -0.249 41.797 42.059 -0.023 0.000 0.891 362 L HN -0.109 nan 8.230 nan 0.000 0.432 363 R N -0.996 119.464 120.500 -0.068 0.000 2.066 363 R HA -0.180 4.162 4.340 0.002 0.000 0.232 363 R C 2.309 178.440 176.300 -0.282 0.000 1.131 363 R CA 1.857 57.761 56.100 -0.327 0.000 0.955 363 R CB -0.491 29.418 30.300 -0.650 0.000 0.851 363 R HN 0.412 nan 8.270 nan 0.000 0.432 364 L N 0.688 121.810 121.223 -0.168 0.000 2.083 364 L HA 0.024 4.366 4.340 0.002 0.000 0.209 364 L C 2.085 178.941 176.870 -0.022 0.000 1.083 364 L CA 2.245 57.029 54.840 -0.094 0.000 0.752 364 L CB -0.894 41.130 42.059 -0.059 0.000 0.899 364 L HN 0.296 nan 8.230 nan 0.000 0.433 365 G N -0.171 108.631 108.800 0.003 0.000 2.459 365 G HA2 -0.220 3.742 3.960 0.002 0.000 0.217 365 G HA3 -0.220 3.742 3.960 0.002 0.000 0.217 365 G C 1.458 176.387 174.900 0.048 0.000 1.183 365 G CA 0.936 46.050 45.100 0.023 0.000 0.776 365 G HN 0.327 nan 8.290 nan 0.000 0.552 366 L N 0.462 121.761 121.223 0.127 0.000 2.109 366 L HA 0.050 4.391 4.340 0.002 0.000 0.207 366 L C 2.716 179.743 176.870 0.262 0.000 1.086 366 L CA 1.159 56.134 54.840 0.225 0.000 0.760 366 L CB -0.955 41.331 42.059 0.377 0.000 0.910 366 L HN 0.189 nan 8.230 nan 0.000 0.437 367 E N 0.147 120.498 120.200 0.251 0.000 2.106 367 E HA -0.139 4.212 4.350 0.002 0.000 0.192 367 E C 2.356 179.034 176.600 0.129 0.000 0.984 367 E CA 0.865 57.403 56.400 0.229 0.000 0.806 367 E CB -0.004 29.763 29.700 0.112 0.000 0.750 367 E HN 0.407 nan 8.360 nan 0.000 0.458 368 L N -0.175 121.084 121.223 0.060 0.000 2.131 368 L HA -0.111 4.231 4.340 0.002 0.000 0.206 368 L C 2.454 179.294 176.870 -0.050 0.000 1.087 368 L CA 0.342 55.189 54.840 0.012 0.000 0.767 368 L CB -0.300 41.748 42.059 -0.017 0.000 0.917 368 L HN 0.168 nan 8.230 nan 0.000 0.441 369 L N -0.834 120.340 121.223 -0.083 0.000 2.027 369 L HA -0.127 4.215 4.340 0.002 0.000 0.206 369 L C 0.177 176.877 176.870 -0.284 0.000 1.074 369 L CA 1.844 56.530 54.840 -0.256 0.000 0.745 369 L CB -0.145 41.737 42.059 -0.295 0.000 0.898 369 L HN 0.074 nan 8.230 nan 0.000 0.433 370 Y N 0.156 120.463 120.300 0.012 0.000 2.584 370 Y HA 0.428 4.980 4.550 0.003 0.000 0.358 370 Y C -2.275 173.663 175.900 0.064 0.000 1.028 370 Y CA -3.757 54.357 58.100 0.022 0.000 1.148 370 Y CB -0.232 38.237 38.460 0.016 0.000 1.126 370 Y HN 0.097 nan 8.280 nan 0.000 0.658 371 P HA 0.096 nan 4.420 nan 0.000 0.265 371 P C 0.706 178.112 177.300 0.178 0.000 1.193 371 P CA 1.403 64.613 63.100 0.183 0.000 0.765 371 P CB 1.131 32.916 31.700 0.142 0.000 0.823 372 A N 1.692 124.628 122.820 0.195 0.000 3.661 372 A HA -0.248 4.074 4.320 0.002 0.000 0.269 372 A C 1.559 179.220 177.584 0.129 0.000 1.056 372 A CA 1.681 53.822 52.037 0.172 0.000 1.159 372 A CB -2.691 16.397 19.000 0.147 0.000 1.105 372 A HN 0.353 nan 8.150 nan 0.000 0.907 373 V N 0.090 120.065 119.914 0.103 0.000 2.358 373 V HA -0.245 3.877 4.120 0.002 0.000 0.246 373 V C 2.377 178.468 176.094 -0.004 0.000 1.047 373 V CA 2.053 64.362 62.300 0.015 0.000 1.035 373 V CB -0.582 31.196 31.823 -0.075 0.000 0.658 373 V HN 0.664 nan 8.190 nan 0.000 0.452 374 I N 0.476 121.018 120.570 -0.046 0.000 2.179 374 I HA -0.201 3.970 4.170 0.002 0.000 0.242 374 I C 2.471 178.560 176.117 -0.046 0.000 1.088 374 I CA 1.590 62.788 61.300 -0.170 0.000 1.357 374 I CB -1.227 36.272 38.000 -0.835 0.000 1.051 374 I HN 0.380 nan 8.210 nan 0.000 0.409 375 E N 0.290 120.466 120.200 -0.041 0.000 2.107 375 E HA -0.141 4.211 4.350 0.002 0.000 0.191 375 E C 2.143 178.826 176.600 0.138 0.000 0.982 375 E CA 0.871 57.290 56.400 0.032 0.000 0.809 375 E CB -0.160 29.613 29.700 0.121 0.000 0.756 375 E HN 0.509 nan 8.360 nan 0.000 0.459 376 E N 0.265 120.547 120.200 0.136 0.000 2.072 376 E HA -0.080 4.272 4.350 0.002 0.000 0.190 376 E C 2.077 178.781 176.600 0.172 0.000 0.982 376 E CA 1.009 57.495 56.400 0.144 0.000 0.803 376 E CB 0.013 29.783 29.700 0.117 0.000 0.755 376 E HN 0.052 nan 8.360 nan 0.000 0.453 377 S N 0.499 116.305 115.700 0.177 0.000 2.359 377 S HA -0.208 4.264 4.470 0.002 0.000 0.224 377 S C 1.778 176.592 174.600 0.357 0.000 1.035 377 S CA 1.210 59.549 58.200 0.233 0.000 1.018 377 S CB -0.398 62.887 63.200 0.142 0.000 0.876 377 S HN 0.344 nan 8.310 nan 0.000 0.448 378 Y N 2.242 122.704 120.300 0.270 0.000 2.145 378 Y HA -0.121 4.430 4.550 0.002 0.000 0.286 378 Y C 2.451 178.424 175.900 0.120 0.000 1.145 378 Y CA 0.996 59.133 58.100 0.060 0.000 1.148 378 Y CB -0.792 37.513 38.460 -0.259 0.000 0.981 378 Y HN 0.214 nan 8.280 nan 0.000 0.507 379 A N -0.666 122.257 122.820 0.172 0.000 1.883 379 A HA -0.295 4.026 4.320 0.002 0.000 0.217 379 A C 2.049 179.661 177.584 0.046 0.000 1.186 379 A CA 2.151 54.242 52.037 0.091 0.000 0.624 379 A CB -1.335 17.738 19.000 0.121 0.000 0.822 379 A HN 0.693 nan 8.150 nan 0.000 0.444 380 H N -0.386 118.688 119.070 0.007 0.000 2.353 380 H HA -0.129 4.429 4.556 0.002 0.000 0.300 380 H C 1.993 177.272 175.328 -0.081 0.000 1.090 380 H CA 2.021 58.062 56.048 -0.013 0.000 1.327 380 H CB -0.160 29.613 29.762 0.018 0.000 1.383 380 H HN 0.492 nan 8.280 nan 0.000 0.508 381 E N 0.079 120.177 120.200 -0.171 0.000 2.114 381 E HA -0.208 4.143 4.350 0.002 0.000 0.199 381 E C 0.916 177.147 176.600 -0.615 0.000 1.008 381 E CA 1.679 57.847 56.400 -0.388 0.000 0.810 381 E CB -0.318 29.152 29.700 -0.383 0.000 0.739 381 E HN 0.669 nan 8.360 nan 0.000 0.456 382 H N 0.514 119.377 119.070 -0.346 0.000 2.568 382 H HA 0.225 4.782 4.556 0.002 0.000 0.302 382 H C -0.046 175.154 175.328 -0.214 0.000 1.065 382 H CA 0.552 56.425 56.048 -0.291 0.000 1.140 382 H CB -0.122 29.424 29.762 -0.360 0.000 1.474 382 H HN 0.170 nan 8.280 nan 0.000 0.545 383 R N 0.796 121.173 120.500 -0.206 0.000 3.502 383 R HA -0.223 4.119 4.340 0.002 0.000 0.266 383 R C 0.004 176.240 176.300 -0.106 0.000 1.077 383 R CA 0.901 56.903 56.100 -0.163 0.000 0.718 383 R CB -2.432 27.799 30.300 -0.115 0.000 1.120 383 R HN 0.517 nan 8.270 nan 0.000 0.457 384 R N -0.406 120.021 120.500 -0.121 0.000 2.659 384 R HA 0.279 4.621 4.340 0.002 0.000 0.418 384 R C -0.158 175.910 176.300 -0.386 0.000 1.076 384 R CA -0.787 55.165 56.100 -0.246 0.000 1.093 384 R CB 0.386 30.646 30.300 -0.067 0.000 1.400 384 R HN 0.066 nan 8.270 nan 0.000 0.583 385 L N 2.578 123.678 121.223 -0.206 0.000 2.278 385 L HA 0.283 4.625 4.340 0.002 0.000 0.287 385 L C -0.756 176.011 176.870 -0.171 0.000 1.072 385 L CA -0.385 54.414 54.840 -0.068 0.000 0.819 385 L CB 0.200 42.368 42.059 0.181 0.000 1.176 385 L HN 0.192 nan 8.230 nan 0.000 0.435 386 H N 5.822 124.958 119.070 0.110 0.000 2.489 386 H HA 0.315 4.872 4.556 0.002 0.000 0.322 386 H C -0.690 174.675 175.328 0.062 0.000 1.091 386 H CA -0.381 55.650 56.048 -0.030 0.000 1.291 386 H CB 0.553 30.269 29.762 -0.076 0.000 1.436 386 H HN 0.685 nan 8.280 nan 0.000 0.480 387 W N 1.427 122.853 121.300 0.209 0.000 2.578 387 W HA 0.509 5.171 4.660 0.002 0.000 0.364 387 W C -1.024 175.598 176.519 0.171 0.000 1.144 387 W CA -1.035 56.419 57.345 0.181 0.000 1.242 387 W CB 0.444 30.024 29.460 0.199 0.000 1.382 387 W HN 0.226 nan 8.180 nan 0.000 0.625 388 T N 3.501 118.385 114.554 0.550 0.000 2.786 388 T HA 0.302 4.653 4.350 0.002 0.000 0.283 388 T C -2.350 172.633 174.700 0.470 0.000 0.992 388 T CA -1.206 61.094 62.100 0.334 0.000 0.954 388 T CB 1.582 70.536 68.868 0.143 0.000 0.934 388 T HN 0.022 nan 8.240 nan 0.000 0.440 389 P HA -0.045 nan 4.420 nan 0.000 0.269 389 P C 0.951 178.440 177.300 0.316 0.000 1.215 389 P CA -0.525 62.874 63.100 0.499 0.000 0.780 389 P CB 0.794 32.718 31.700 0.374 0.000 0.898 390 W N 3.488 124.925 121.300 0.229 0.000 2.308 390 W HA -0.222 4.440 4.660 0.002 0.000 0.301 390 W C 1.129 177.675 176.519 0.046 0.000 1.220 390 W CA 1.354 58.736 57.345 0.063 0.000 1.240 390 W CB -0.436 29.141 29.460 0.196 0.000 1.142 390 W HN 0.166 nan 8.180 nan 0.000 0.521 391 M N 0.501 120.094 119.600 -0.012 0.000 2.156 391 M HA -0.160 4.322 4.480 0.002 0.000 0.264 391 M C 2.529 178.716 176.300 -0.189 0.000 1.067 391 M CA 1.774 56.994 55.300 -0.133 0.000 1.131 391 M CB -1.518 31.128 32.600 0.077 0.000 1.368 391 M HN -0.012 nan 8.290 nan 0.000 0.416 392 S N -0.195 115.449 115.700 -0.094 0.000 2.374 392 S HA -0.159 4.313 4.470 0.002 0.000 0.227 392 S C 1.828 176.324 174.600 -0.173 0.000 1.037 392 S CA 2.202 60.346 58.200 -0.093 0.000 1.024 392 S CB -0.154 63.032 63.200 -0.024 0.000 0.861 392 S HN 0.548 nan 8.310 nan 0.000 0.456 393 T N 1.805 116.199 114.554 -0.267 0.000 2.770 393 T HA 0.093 4.444 4.350 0.002 0.000 0.263 393 T C 2.122 176.558 174.700 -0.439 0.000 1.039 393 T CA 1.236 63.134 62.100 -0.337 0.000 1.142 393 T CB -0.738 67.886 68.868 -0.407 0.000 0.868 393 T HN 0.515 nan 8.240 nan 0.000 0.435 394 A N 1.808 124.191 122.820 -0.728 0.000 1.902 394 A HA -0.114 4.208 4.320 0.002 0.000 0.217 394 A C 2.355 179.756 177.584 -0.304 0.000 1.181 394 A CA 1.403 53.044 52.037 -0.660 0.000 0.623 394 A CB -0.519 17.940 19.000 -0.901 0.000 0.818 394 A HN 0.371 nan 8.150 nan 0.000 0.443 395 R N -0.926 119.427 120.500 -0.244 0.000 2.189 395 R HA -0.014 4.328 4.340 0.002 0.000 0.223 395 R C 2.259 178.500 176.300 -0.099 0.000 1.092 395 R CA 0.982 57.005 56.100 -0.129 0.000 0.989 395 R CB -0.184 30.059 30.300 -0.095 0.000 0.876 395 R HN 0.465 nan 8.270 nan 0.000 0.457 396 R N 0.144 120.574 120.500 -0.116 0.000 2.189 396 R HA -0.012 4.329 4.340 0.002 0.000 0.218 396 R C 0.281 176.549 176.300 -0.053 0.000 1.074 396 R CA 0.569 56.620 56.100 -0.082 0.000 0.991 396 R CB 0.127 30.374 30.300 -0.088 0.000 0.883 396 R HN 0.136 nan 8.270 nan 0.000 0.457 397 Q N 1.033 120.800 119.800 -0.055 0.000 2.352 397 Q HA 0.082 4.424 4.340 0.002 0.000 0.260 397 Q C 0.396 176.420 176.000 0.041 0.000 0.976 397 Q CA 0.412 56.217 55.803 0.004 0.000 0.881 397 Q CB 1.403 30.136 28.738 -0.009 0.000 1.235 397 Q HN 0.186 nan 8.270 nan 0.000 0.419 398 T N -2.559 112.061 114.554 0.108 0.000 2.807 398 T HA 0.813 5.165 4.350 0.002 0.000 0.277 398 T C 0.523 175.337 174.700 0.190 0.000 1.006 398 T CA -0.212 61.975 62.100 0.145 0.000 1.006 398 T CB 1.529 70.516 68.868 0.199 0.000 1.274 398 T HN 0.809 nan 8.240 nan 0.000 0.569 399 G N 0.733 109.618 108.800 0.141 0.000 2.601 399 G HA2 -0.288 3.673 3.960 0.002 0.000 0.261 399 G HA3 -0.288 3.673 3.960 0.002 0.000 0.261 399 G C 1.007 175.953 174.900 0.075 0.000 1.289 399 G CA 1.291 46.440 45.100 0.081 0.000 0.920 399 G HN 1.908 nan 8.290 nan 0.000 0.571 400 T N -1.603 112.994 114.554 0.073 0.000 2.802 400 T HA -0.117 4.235 4.350 0.002 0.000 0.269 400 T C 2.277 177.025 174.700 0.080 0.000 1.062 400 T CA 2.052 64.191 62.100 0.066 0.000 1.133 400 T CB -0.098 68.807 68.868 0.062 0.000 0.852 400 T HN 0.708 nan 8.240 nan 0.000 0.485 401 L N 0.864 122.149 121.223 0.104 0.000 2.552 401 L HA 0.459 4.801 4.340 0.002 0.000 0.227 401 L C 2.647 179.562 176.870 0.074 0.000 1.146 401 L CA 0.419 55.317 54.840 0.097 0.000 0.858 401 L CB -1.135 40.995 42.059 0.117 0.000 0.969 401 L HN 0.391 nan 8.230 nan 0.000 0.451 402 A N -0.524 122.337 122.820 0.068 0.000 1.969 402 A HA -0.236 4.086 4.320 0.002 0.000 0.218 402 A C 2.411 180.023 177.584 0.046 0.000 1.169 402 A CA 1.419 53.482 52.037 0.043 0.000 0.635 402 A CB -0.503 18.522 19.000 0.041 0.000 0.810 402 A HN 0.412 nan 8.150 nan 0.000 0.445 403 R N 0.411 120.947 120.500 0.060 0.000 2.211 403 R HA -0.151 4.191 4.340 0.002 0.000 0.240 403 R C 1.797 178.159 176.300 0.105 0.000 1.144 403 R CA 1.784 57.928 56.100 0.073 0.000 0.992 403 R CB -0.797 29.544 30.300 0.070 0.000 0.869 403 R HN 0.541 nan 8.270 nan 0.000 0.462 404 V N -1.682 118.306 119.914 0.123 0.000 2.720 404 V HA -0.223 3.898 4.120 0.002 0.000 0.256 404 V C 1.743 177.978 176.094 0.235 0.000 1.082 404 V CA 1.736 64.168 62.300 0.220 0.000 1.101 404 V CB -0.646 31.330 31.823 0.255 0.000 0.693 404 V HN 0.381 nan 8.190 nan 0.000 0.479 405 Q N 0.779 120.641 119.800 0.104 0.000 2.234 405 Q HA -0.080 4.261 4.340 0.002 0.000 0.206 405 Q C 1.835 177.916 176.000 0.135 0.000 0.980 405 Q CA 1.525 57.378 55.803 0.084 0.000 0.869 405 Q CB -0.141 28.613 28.738 0.025 0.000 0.912 405 Q HN 0.698 nan 8.270 nan 0.000 0.436 406 R N -0.164 120.414 120.500 0.131 0.000 2.426 406 R HA 0.351 4.692 4.340 0.002 0.000 0.263 406 R C -0.067 176.314 176.300 0.136 0.000 0.961 406 R CA 0.068 56.237 56.100 0.116 0.000 1.086 406 R CB -0.110 30.239 30.300 0.082 0.000 1.186 406 R HN -0.028 nan 8.270 nan 0.000 0.537 407 A N 2.160 125.099 122.820 0.198 0.000 2.450 407 A HA 0.264 4.586 4.320 0.002 0.000 0.255 407 A C 0.727 178.391 177.584 0.134 0.000 1.096 407 A CA -0.219 51.916 52.037 0.162 0.000 0.778 407 A CB 0.226 19.341 19.000 0.192 0.000 1.031 407 A HN 0.391 nan 8.150 nan 0.000 0.494 408 T N 1.008 115.604 114.554 0.069 0.000 2.898 408 T HA 0.324 4.675 4.350 0.002 0.000 0.301 408 T C -1.878 172.825 174.700 0.005 0.000 1.049 408 T CA -1.099 61.031 62.100 0.050 0.000 1.095 408 T CB 0.607 69.493 68.868 0.031 0.000 0.976 408 T HN 0.353 nan 8.240 nan 0.000 0.539 409 P HA -0.013 nan 4.420 nan 0.000 0.220 409 P C 0.806 178.070 177.300 -0.059 0.000 1.148 409 P CA 0.761 63.843 63.100 -0.029 0.000 0.803 409 P CB 0.036 31.749 31.700 0.023 0.000 0.782 410 D N -1.046 119.334 120.400 -0.034 0.000 2.144 410 D HA -0.132 4.509 4.640 0.002 0.000 0.200 410 D C 2.091 178.357 176.300 -0.055 0.000 0.978 410 D CA 1.076 55.053 54.000 -0.038 0.000 0.833 410 D CB -0.378 40.412 40.800 -0.018 0.000 0.961 410 D HN 0.220 nan 8.370 nan 0.000 0.470 411 Q N -0.162 119.606 119.800 -0.053 0.000 2.079 411 Q HA -0.094 4.248 4.340 0.002 0.000 0.200 411 Q C 2.346 178.273 176.000 -0.122 0.000 0.974 411 Q CA 1.061 56.829 55.803 -0.059 0.000 0.840 411 Q CB 0.005 28.727 28.738 -0.026 0.000 0.898 411 Q HN 0.292 nan 8.270 nan 0.000 0.430 412 V N 0.212 119.996 119.914 -0.218 0.000 2.427 412 V HA -0.209 3.912 4.120 0.002 0.000 0.248 412 V C 1.283 177.234 176.094 -0.239 0.000 1.051 412 V CA 2.094 64.165 62.300 -0.380 0.000 1.048 412 V CB -0.299 30.964 31.823 -0.933 0.000 0.666 412 V HN 0.198 nan 8.190 nan 0.000 0.456 413 D N 0.392 120.687 120.400 -0.175 0.000 2.144 413 D HA -0.106 4.536 4.640 0.002 0.000 0.200 413 D C 2.290 178.528 176.300 -0.103 0.000 0.978 413 D CA 2.006 55.925 54.000 -0.135 0.000 0.833 413 D CB -0.449 40.292 40.800 -0.098 0.000 0.961 413 D HN 0.536 nan 8.370 nan 0.000 0.470 414 T N 0.406 114.910 114.554 -0.084 0.000 2.737 414 T HA -0.064 4.288 4.350 0.002 0.000 0.265 414 T C 2.256 176.925 174.700 -0.053 0.000 1.038 414 T CA 0.651 62.716 62.100 -0.059 0.000 1.144 414 T CB -0.203 68.640 68.868 -0.043 0.000 0.866 414 T HN -0.048 nan 8.240 nan 0.000 0.434 415 V N 1.797 121.677 119.914 -0.056 0.000 2.295 415 V HA -0.152 3.969 4.120 0.002 0.000 0.246 415 V C 2.896 178.974 176.094 -0.028 0.000 1.049 415 V CA 1.713 63.994 62.300 -0.032 0.000 1.024 415 V CB -1.217 30.589 31.823 -0.027 0.000 0.648 415 V HN 0.513 nan 8.190 nan 0.000 0.447 416 A N 0.082 122.872 122.820 -0.049 0.000 1.940 416 A HA -0.169 4.152 4.320 0.002 0.000 0.219 416 A C 2.447 179.980 177.584 -0.085 0.000 1.176 416 A CA 2.201 54.217 52.037 -0.035 0.000 0.631 416 A CB -0.839 18.124 19.000 -0.061 0.000 0.814 416 A HN 0.593 nan 8.150 nan 0.000 0.446 417 A N -1.015 121.746 122.820 -0.097 0.000 1.917 417 A HA -0.231 4.091 4.320 0.002 0.000 0.219 417 A C 2.148 179.682 177.584 -0.083 0.000 1.182 417 A CA 1.842 53.824 52.037 -0.091 0.000 0.633 417 A CB -0.457 18.503 19.000 -0.067 0.000 0.819 417 A HN 0.541 nan 8.150 nan 0.000 0.448 418 Q N -0.541 119.222 119.800 -0.061 0.000 2.083 418 Q HA -0.042 4.299 4.340 0.002 0.000 0.198 418 Q C 2.396 178.350 176.000 -0.077 0.000 0.969 418 Q CA 1.531 57.299 55.803 -0.058 0.000 0.838 418 Q CB -0.809 27.913 28.738 -0.027 0.000 0.900 418 Q HN 0.498 nan 8.270 nan 0.000 0.436 419 V N 0.437 120.328 119.914 -0.037 0.000 2.283 419 V HA -0.229 3.892 4.120 0.002 0.000 0.243 419 V C 2.438 178.442 176.094 -0.149 0.000 1.039 419 V CA 1.594 63.889 62.300 -0.008 0.000 1.016 419 V CB -0.645 31.252 31.823 0.124 0.000 0.650 419 V HN 0.328 nan 8.190 nan 0.000 0.449 420 C N 0.704 119.942 119.300 -0.102 0.000 2.456 420 C HA 0.127 4.588 4.460 0.002 0.000 0.279 420 C C 2.985 177.825 174.990 -0.251 0.000 1.427 420 C CA 0.086 59.018 59.018 -0.144 0.000 1.778 420 C CB -1.616 26.070 27.740 -0.091 0.000 1.842 420 C HN 0.603 nan 8.230 nan 0.000 0.531 421 A N 0.676 123.350 122.820 -0.243 0.000 2.024 421 A HA -0.169 4.153 4.320 0.002 0.000 0.220 421 A C 2.235 179.610 177.584 -0.348 0.000 1.164 421 A CA 2.096 53.988 52.037 -0.241 0.000 0.643 421 A CB -0.575 18.317 19.000 -0.181 0.000 0.806 421 A HN 0.540 nan 8.150 nan 0.000 0.451 422 S N -1.980 113.362 115.700 -0.595 0.000 2.561 422 S HA 0.030 4.502 4.470 0.002 0.000 0.225 422 S C 0.632 174.710 174.600 -0.871 0.000 0.977 422 S CA 0.335 58.022 58.200 -0.856 0.000 0.926 422 S CB -0.667 61.574 63.200 -1.598 0.000 0.769 422 S HN 0.641 nan 8.310 nan 0.000 0.533 423 C N 1.267 120.173 119.300 -0.656 0.000 2.391 423 C HA 0.499 4.960 4.460 0.002 0.000 0.339 423 C C 1.449 176.347 174.990 -0.152 0.000 1.205 423 C CA -0.783 58.019 59.018 -0.361 0.000 1.937 423 C CB 0.173 27.811 27.740 -0.169 0.000 2.341 423 C HN 0.278 nan 8.230 nan 0.000 0.516 424 L N 3.023 124.212 121.223 -0.056 0.000 2.240 424 L HA 0.185 4.527 4.340 0.002 0.000 0.211 424 L C 1.725 178.550 176.870 -0.076 0.000 1.106 424 L CA 1.365 56.164 54.840 -0.068 0.000 0.793 424 L CB -1.073 40.945 42.059 -0.068 0.000 0.927 424 L HN 0.673 nan 8.230 nan 0.000 0.446 425 R N -0.830 119.642 120.500 -0.047 0.000 2.707 425 R HA 0.254 4.596 4.340 0.002 0.000 0.270 425 R C -0.063 176.188 176.300 -0.081 0.000 1.083 425 R CA 0.102 56.170 56.100 -0.053 0.000 1.182 425 R CB 0.184 30.487 30.300 0.005 0.000 1.084 425 R HN -0.020 nan 8.270 nan 0.000 0.528 426 T N 2.258 116.747 114.554 -0.109 0.000 2.786 426 T HA 0.183 4.535 4.350 0.002 0.000 0.283 426 T C -0.144 174.419 174.700 -0.230 0.000 0.992 426 T CA -0.815 61.197 62.100 -0.146 0.000 0.954 426 T CB 0.794 69.585 68.868 -0.127 0.000 0.934 426 T HN 0.505 nan 8.240 nan 0.000 0.440 427 R N 4.019 124.289 120.500 -0.382 0.000 3.247 427 R HA 0.142 4.484 4.340 0.002 0.000 0.212 427 R C 0.361 176.155 176.300 -0.844 0.000 1.604 427 R CA -0.516 55.167 56.100 -0.695 0.000 1.279 427 R CB -0.427 29.259 30.300 -1.023 0.000 1.277 427 R HN 0.322 nan 8.270 nan 0.000 0.669 428 L N 2.190 123.043 121.223 -0.618 0.000 2.127 428 L HA -0.169 4.173 4.340 0.002 0.000 0.211 428 L C 2.036 178.147 176.870 -1.265 0.000 1.089 428 L CA 1.304 55.666 54.840 -0.796 0.000 0.757 428 L CB -0.820 40.785 42.059 -0.757 0.000 0.899 428 L HN 0.750 nan 8.230 nan 0.000 0.434 429 W N -1.487 119.329 121.300 -0.807 0.000 2.595 429 W HA 0.153 4.814 4.660 0.002 0.000 0.257 429 W C 1.338 177.678 176.519 -0.299 0.000 1.267 429 W CA 0.609 57.621 57.345 -0.554 0.000 1.300 429 W CB -0.801 28.660 29.460 0.002 0.000 1.120 429 W HN 0.256 nan 8.180 nan 0.000 0.618 430 A N 0.811 123.069 122.820 -0.936 0.000 2.460 430 A HA 0.523 4.844 4.320 0.002 0.000 0.258 430 A C 1.774 179.141 177.584 -0.362 0.000 1.300 430 A CA 0.609 52.241 52.037 -0.674 0.000 0.913 430 A CB -0.876 17.425 19.000 -1.165 0.000 1.031 430 A HN 0.623 nan 8.150 nan 0.000 0.512 431 G N -0.844 107.735 108.800 -0.370 0.000 2.179 431 G HA2 -0.268 3.694 3.960 0.002 0.000 0.260 431 G HA3 -0.268 3.694 3.960 0.002 0.000 0.260 431 G C 0.226 175.061 174.900 -0.107 0.000 0.977 431 G CA 0.423 45.416 45.100 -0.179 0.000 0.641 431 G HN 0.744 nan 8.290 nan 0.000 0.533 432 H N 1.331 120.178 119.070 -0.372 0.000 2.757 432 H HA 0.391 4.949 4.556 0.002 0.000 0.370 432 H C 0.887 176.062 175.328 -0.254 0.000 1.172 432 H CA 1.011 56.883 56.048 -0.293 0.000 1.426 432 H CB 0.732 30.295 29.762 -0.332 0.000 1.438 432 H HN 0.447 nan 8.280 nan 0.000 0.612 433 T N 0.373 114.867 114.554 -0.099 0.000 2.924 433 T HA 0.494 4.845 4.350 0.002 0.000 0.291 433 T C -0.714 173.958 174.700 -0.046 0.000 1.045 433 T CA -1.071 60.991 62.100 -0.062 0.000 1.015 433 T CB 1.897 70.745 68.868 -0.033 0.000 1.103 433 T HN 0.255 nan 8.240 nan 0.000 0.496 434 L N 1.519 122.756 121.223 0.024 0.000 2.446 434 L HA 0.724 5.065 4.340 0.002 0.000 0.268 434 L C 0.661 177.634 176.870 0.172 0.000 0.975 434 L CA 0.000 54.872 54.840 0.053 0.000 0.848 434 L CB 1.479 43.512 42.059 -0.042 0.000 1.225 434 L HN 0.932 nan 8.230 nan 0.000 0.410 435 G N 3.151 111.986 108.800 0.059 0.000 2.459 435 G HA2 0.099 4.061 3.960 0.002 0.000 0.213 435 G HA3 0.099 4.061 3.960 0.002 0.000 0.213 435 G C 0.298 175.193 174.900 -0.008 0.000 1.155 435 G CA 0.180 45.293 45.100 0.021 0.000 0.811 435 G HN 0.529 nan 8.290 nan 0.000 0.534 436 Q N -0.642 119.156 119.800 -0.004 0.000 2.416 436 Q HA 0.575 4.917 4.340 0.002 0.000 0.279 436 Q C -0.428 175.571 176.000 -0.001 0.000 1.101 436 Q CA -0.691 55.101 55.803 -0.019 0.000 0.830 436 Q CB 2.437 31.156 28.738 -0.032 0.000 1.402 436 Q HN 0.257 nan 8.270 nan 0.000 0.445 437 T N -3.324 111.224 114.554 -0.010 0.000 2.858 437 T HA 0.411 4.762 4.350 0.002 0.000 0.285 437 T C 1.185 175.824 174.700 -0.102 0.000 1.052 437 T CA -0.745 61.340 62.100 -0.026 0.000 1.009 437 T CB 0.256 69.154 68.868 0.050 0.000 1.241 437 T HN 0.699 nan 8.240 nan 0.000 0.542 438 I N -1.776 118.658 120.570 -0.226 0.000 2.479 438 I HA -0.023 4.149 4.170 0.002 0.000 0.258 438 I C 1.404 177.273 176.117 -0.414 0.000 1.165 438 I CA 1.553 62.626 61.300 -0.377 0.000 1.422 438 I CB -0.780 36.876 38.000 -0.573 0.000 1.087 438 I HN 0.385 nan 8.210 nan 0.000 0.441 439 F N 1.630 121.551 119.950 -0.047 0.000 2.776 439 F HA 0.136 4.665 4.527 0.002 0.000 0.300 439 F C 1.688 177.466 175.800 -0.036 0.000 1.116 439 F CA 0.197 58.182 58.000 -0.024 0.000 1.375 439 F CB -0.145 38.870 39.000 0.025 0.000 1.109 439 F HN 0.192 nan 8.300 nan 0.000 0.585 440 S N -1.386 114.356 115.700 0.069 0.000 2.668 440 S HA 0.576 5.047 4.470 0.002 0.000 0.244 440 S C 1.040 175.631 174.600 -0.015 0.000 1.140 440 S CA -0.075 58.137 58.200 0.021 0.000 1.134 440 S CB 0.233 63.426 63.200 -0.011 0.000 0.954 440 S HN 0.466 nan 8.310 nan 0.000 0.490 441 G N 0.140 108.921 108.800 -0.031 0.000 2.176 441 G HA2 -0.227 3.735 3.960 0.002 0.000 0.232 441 G HA3 -0.227 3.735 3.960 0.002 0.000 0.232 441 G C -0.077 174.785 174.900 -0.063 0.000 0.986 441 G CA -0.087 44.986 45.100 -0.044 0.000 0.643 441 G HN 0.902 nan 8.290 nan 0.000 0.522 442 V N 1.744 121.610 119.914 -0.080 0.000 2.293 442 V HA 0.344 4.466 4.120 0.002 0.000 0.275 442 V C -0.614 175.413 176.094 -0.112 0.000 1.021 442 V CA -0.795 61.457 62.300 -0.081 0.000 0.815 442 V CB 1.706 33.489 31.823 -0.067 0.000 1.025 442 V HN 0.035 nan 8.190 nan 0.000 0.448 443 P HA -0.091 nan 4.420 nan 0.000 0.216 443 P C 1.412 178.627 177.300 -0.142 0.000 1.150 443 P CA 1.218 64.242 63.100 -0.127 0.000 0.837 443 P CB 0.302 31.946 31.700 -0.093 0.000 0.786 444 G N -1.016 107.716 108.800 -0.113 0.000 3.314 444 G HA2 0.225 4.186 3.960 0.002 0.000 0.238 444 G HA3 0.225 4.186 3.960 0.002 0.000 0.238 444 G C 0.601 175.433 174.900 -0.112 0.000 1.184 444 G CA -0.020 45.013 45.100 -0.112 0.000 0.806 444 G HN 0.348 nan 8.290 nan 0.000 0.536 445 G N 0.600 109.328 108.800 -0.119 0.000 2.696 445 G HA2 0.512 4.473 3.960 0.002 0.000 0.329 445 G HA3 0.512 4.473 3.960 0.002 0.000 0.329 445 G C -1.038 173.795 174.900 -0.112 0.000 0.973 445 G CA -0.273 44.769 45.100 -0.098 0.000 1.257 445 G HN 0.137 nan 8.290 nan 0.000 0.456 446 L N 4.135 125.290 121.223 -0.114 0.000 2.409 446 L HA 0.488 4.829 4.340 0.002 0.000 0.272 446 L C -2.206 174.602 176.870 -0.104 0.000 0.980 446 L CA -1.918 52.853 54.840 -0.115 0.000 0.826 446 L CB 3.076 45.047 42.059 -0.146 0.000 1.268 446 L HN 0.226 nan 8.230 nan 0.000 0.407 447 P HA 0.105 nan 4.420 nan 0.000 0.279 447 P C -0.932 176.338 177.300 -0.051 0.000 1.239 447 P CA -0.424 62.583 63.100 -0.156 0.000 0.789 447 P CB 1.551 33.129 31.700 -0.204 0.000 0.933 448 C N 3.174 122.452 119.300 -0.036 0.000 2.264 448 C HA 0.607 5.069 4.460 0.002 0.000 0.324 448 C C 1.661 176.766 174.990 0.191 0.000 1.267 448 C CA -0.074 59.007 59.018 0.104 0.000 1.618 448 C CB -0.726 27.123 27.740 0.182 0.000 2.278 448 C HN 0.709 nan 8.230 nan 0.000 0.499 449 A N 3.957 126.915 122.820 0.230 0.000 2.132 449 A HA 0.273 4.595 4.320 0.002 0.000 0.213 449 A C 0.611 178.412 177.584 0.362 0.000 1.154 449 A CA 0.687 52.918 52.037 0.323 0.000 0.753 449 A CB -0.002 19.157 19.000 0.265 0.000 0.826 449 A HN 0.909 nan 8.150 nan 0.000 0.469 450 E N -1.743 118.583 120.200 0.210 0.000 2.400 450 E HA 0.500 4.851 4.350 0.002 0.000 0.285 450 E C -0.761 175.555 176.600 -0.474 0.000 1.005 450 E CA -0.460 55.848 56.400 -0.153 0.000 0.816 450 E CB 1.330 31.009 29.700 -0.036 0.000 1.220 450 E HN 0.339 nan 8.360 nan 0.000 0.426 451 A N 2.375 124.521 122.820 -1.124 0.000 2.580 451 A HA 0.179 4.500 4.320 0.002 0.000 0.244 451 A C 0.678 178.140 177.584 -0.203 0.000 1.045 451 A CA 0.386 51.982 52.037 -0.735 0.000 0.761 451 A CB -1.001 17.572 19.000 -0.712 0.000 0.962 451 A HN 0.728 nan 8.150 nan 0.000 0.512 452 C N 1.632 120.917 119.300 -0.025 0.000 2.365 452 C HA 0.743 5.204 4.460 0.002 0.000 0.374 452 C C 2.030 177.043 174.990 0.037 0.000 1.318 452 C CA 0.207 59.238 59.018 0.023 0.000 2.239 452 C CB 0.399 28.174 27.740 0.058 0.000 2.144 452 C HN 1.093 nan 8.230 nan 0.000 0.581 453 T N -0.934 113.645 114.554 0.041 0.000 2.867 453 T HA -0.126 4.226 4.350 0.002 0.000 0.268 453 T C 1.447 176.197 174.700 0.085 0.000 1.057 453 T CA 1.717 63.869 62.100 0.088 0.000 1.136 453 T CB -0.715 68.243 68.868 0.151 0.000 0.874 453 T HN 0.611 nan 8.240 nan 0.000 0.466 454 V N 1.210 121.052 119.914 -0.120 0.000 2.453 454 V HA -0.006 4.115 4.120 0.002 0.000 0.247 454 V C 2.519 178.635 176.094 0.037 0.000 1.048 454 V CA 1.341 63.510 62.300 -0.220 0.000 1.049 454 V CB -0.736 30.841 31.823 -0.410 0.000 0.672 454 V HN 0.392 nan 8.190 nan 0.000 0.457 455 L N -0.221 121.063 121.223 0.103 0.000 2.017 455 L HA -0.138 4.204 4.340 0.002 0.000 0.208 455 L C 2.209 179.189 176.870 0.183 0.000 1.073 455 L CA 1.884 56.820 54.840 0.161 0.000 0.745 455 L CB -0.491 41.685 42.059 0.196 0.000 0.894 455 L HN 0.198 nan 8.230 nan 0.000 0.432 456 L N -0.499 120.840 121.223 0.193 0.000 2.012 456 L HA -0.229 4.112 4.340 0.002 0.000 0.210 456 L C 2.693 179.678 176.870 0.191 0.000 1.073 456 L CA 1.408 56.385 54.840 0.228 0.000 0.748 456 L CB -1.056 41.088 42.059 0.142 0.000 0.891 456 L HN 0.382 nan 8.230 nan 0.000 0.431 457 A N -0.193 122.726 122.820 0.164 0.000 1.933 457 A HA -0.133 4.189 4.320 0.002 0.000 0.218 457 A C 2.504 180.172 177.584 0.140 0.000 1.175 457 A CA 1.697 53.825 52.037 0.152 0.000 0.628 457 A CB -0.661 18.455 19.000 0.194 0.000 0.814 457 A HN 0.412 nan 8.150 nan 0.000 0.444 458 A N -0.704 122.198 122.820 0.137 0.000 1.929 458 A HA 0.095 4.417 4.320 0.002 0.000 0.216 458 A C 2.186 179.832 177.584 0.103 0.000 1.176 458 A CA 1.523 53.629 52.037 0.116 0.000 0.628 458 A CB -0.711 18.356 19.000 0.112 0.000 0.816 458 A HN 0.334 nan 8.150 nan 0.000 0.444 459 V N 0.064 120.052 119.914 0.124 0.000 2.358 459 V HA -0.249 3.873 4.120 0.002 0.000 0.246 459 V C 2.581 178.756 176.094 0.134 0.000 1.047 459 V CA 2.179 64.550 62.300 0.119 0.000 1.035 459 V CB -0.817 31.114 31.823 0.180 0.000 0.658 459 V HN 0.665 nan 8.190 nan 0.000 0.452 460 R N 0.321 120.912 120.500 0.152 0.000 2.115 460 R HA -0.254 4.087 4.340 0.002 0.000 0.239 460 R C 2.071 178.427 176.300 0.093 0.000 1.133 460 R CA 2.563 58.736 56.100 0.122 0.000 0.935 460 R CB -0.505 29.863 30.300 0.113 0.000 0.853 460 R HN 0.519 nan 8.270 nan 0.000 0.433 461 D N -0.166 120.287 120.400 0.089 0.000 2.149 461 D HA -0.188 4.453 4.640 0.002 0.000 0.198 461 D C 1.812 178.149 176.300 0.062 0.000 0.990 461 D CA 1.423 55.466 54.000 0.072 0.000 0.839 461 D CB -0.303 40.541 40.800 0.075 0.000 0.948 461 D HN 0.362 nan 8.370 nan 0.000 0.460 462 E N 0.706 120.944 120.200 0.062 0.000 2.106 462 E HA -0.100 4.251 4.350 0.002 0.000 0.192 462 E C 1.929 178.558 176.600 0.048 0.000 0.984 462 E CA 0.655 57.083 56.400 0.047 0.000 0.806 462 E CB -0.259 29.462 29.700 0.035 0.000 0.750 462 E HN 0.057 nan 8.360 nan 0.000 0.458 463 V N 0.146 120.097 119.914 0.062 0.000 2.427 463 V HA -0.088 4.033 4.120 0.002 0.000 0.248 463 V C 2.212 178.338 176.094 0.054 0.000 1.051 463 V CA 1.798 64.136 62.300 0.063 0.000 1.048 463 V CB -0.686 31.189 31.823 0.087 0.000 0.666 463 V HN 0.502 nan 8.190 nan 0.000 0.456 464 G N -0.947 107.885 108.800 0.053 0.000 2.511 464 G HA2 -0.180 3.782 3.960 0.002 0.000 0.217 464 G HA3 -0.180 3.782 3.960 0.002 0.000 0.217 464 G C 1.662 176.584 174.900 0.037 0.000 1.133 464 G CA 0.201 45.328 45.100 0.044 0.000 0.792 464 G HN 0.380 nan 8.290 nan 0.000 0.539 465 R N -0.058 120.464 120.500 0.037 0.000 2.193 465 R HA 0.049 4.391 4.340 0.002 0.000 0.229 465 R C 0.483 176.799 176.300 0.026 0.000 1.110 465 R CA 0.734 56.852 56.100 0.030 0.000 0.988 465 R CB -0.128 30.190 30.300 0.030 0.000 0.871 465 R HN 0.477 nan 8.270 nan 0.000 0.458 466 E N 0.000 120.217 120.200 0.028 0.000 2.725 466 E HA 0.000 4.351 4.350 0.002 0.000 0.291 466 E CA 0.000 56.415 56.400 0.026 0.000 0.976 466 E CB 0.000 29.714 29.700 0.023 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440