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 1zmd_1_E DATA FIRST_RESID 2 DATA SEQUENCE DQPIDADVTV IGSGPGGYVA AIKAAQLGFK TVCIEKNETL GGTCLNVGCI DATA SEQUENCE PSKALLNNSH YYHMAHGTDF ASRGIEMSEV RLNLDKMMEQ KSTAVKALTG DATA SEQUENCE GIAHLFKQNK VVHVNGYGKI TGKNQVTATK ADGGTQVIDT KNILIATGSE DATA SEQUENCE VTPFPGITID EDTIVSSTGA LSLKKVPEKM VVIGAGVIGV ELGSVWQRLG DATA SEQUENCE ADVTAVEFLG HVGGVGIDME ISKNFQRILQ KQGFKFKLNT KVTGATKKSD DATA SEQUENCE GKIDVSIEAA SGGKAEVITC DVLLVCIGRR PFTKNLGLEE LGIELDPRGR DATA SEQUENCE IPVNTRFQTK IPNIYAIGDV VAGPMLAHKA EDEGIICVEG MAGGAVHIDY DATA SEQUENCE NCVPSVIYTH PEVAWVGKSE EQLKEEGIEY KVGKFPFAAN SRAKTNADTD DATA SEQUENCE GMVKILGQKS TDRVLGAHIL GPGAGEMVNE AALALEYGAS CEDIARVCHA DATA SEQUENCE HPTLSEAFRE ANLAASFGKS INF 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.303 176.300 0.006 0.000 2.045 2 D CA 0.000 54.004 54.000 0.006 0.000 0.868 2 D CB 0.000 40.803 40.800 0.006 0.000 0.688 3 Q N 1.630 121.433 119.800 0.004 0.000 2.388 3 Q HA -0.146 4.194 4.340 0.000 0.000 0.346 3 Q C -2.268 173.735 176.000 0.005 0.000 1.319 3 Q CA 0.847 56.653 55.803 0.004 0.000 1.023 3 Q CB -2.709 26.030 28.738 0.002 0.000 1.247 3 Q HN 0.258 nan 8.270 nan 0.000 0.411 4 P HA 0.023 nan 4.420 nan 0.000 0.264 4 P C 0.129 177.433 177.300 0.007 0.000 1.173 4 P CA 0.240 63.344 63.100 0.008 0.000 0.761 4 P CB 0.418 32.124 31.700 0.009 0.000 0.794 5 I N 2.496 123.071 120.570 0.008 0.000 2.577 5 I HA 0.284 4.454 4.170 0.000 0.000 0.305 5 I C 0.450 176.572 176.117 0.008 0.000 0.986 5 I CA -0.078 61.226 61.300 0.007 0.000 1.189 5 I CB 1.341 39.344 38.000 0.005 0.000 1.355 5 I HN 0.308 nan 8.210 nan 0.000 0.476 6 D N 3.923 124.328 120.400 0.008 0.000 2.391 6 D HA 0.685 5.325 4.640 0.000 0.000 0.245 6 D C -1.279 175.028 176.300 0.012 0.000 1.069 6 D CA -0.136 53.871 54.000 0.011 0.000 0.831 6 D CB 2.526 43.334 40.800 0.013 0.000 1.204 6 D HN 0.680 nan 8.370 nan 0.000 0.503 7 A N 3.243 126.070 122.820 0.013 0.000 2.572 7 A HA 0.383 4.703 4.320 0.000 0.000 0.295 7 A C 0.157 177.753 177.584 0.021 0.000 1.072 7 A CA -0.568 51.477 52.037 0.013 0.000 0.691 7 A CB 1.764 20.762 19.000 -0.004 0.000 1.291 7 A HN 0.464 nan 8.150 nan 0.000 0.404 8 D N -0.280 120.145 120.400 0.042 0.000 2.149 8 D HA 0.121 4.761 4.640 0.000 0.000 0.206 8 D C 0.163 176.425 176.300 -0.063 0.000 0.967 8 D CA 1.727 55.767 54.000 0.067 0.000 0.848 8 D CB 0.422 41.371 40.800 0.249 0.000 0.998 8 D HN 0.233 nan 8.370 nan 0.000 0.474 9 V N 0.814 120.662 119.914 -0.110 0.000 2.483 9 V HA 0.296 4.417 4.120 0.000 0.000 0.297 9 V C -0.418 175.602 176.094 -0.123 0.000 1.027 9 V CA -0.492 61.680 62.300 -0.212 0.000 0.855 9 V CB 2.128 33.716 31.823 -0.392 0.000 0.995 9 V HN -0.123 nan 8.190 nan 0.000 0.424 10 T N 4.473 118.970 114.554 -0.095 0.000 2.809 10 T HA 0.456 4.806 4.350 0.000 0.000 0.296 10 T C -0.323 174.347 174.700 -0.051 0.000 1.015 10 T CA -0.319 61.747 62.100 -0.057 0.000 0.954 10 T CB 1.293 70.148 68.868 -0.022 0.000 0.950 10 T HN 0.326 nan 8.240 nan 0.000 0.450 11 V N 5.581 125.463 119.914 -0.054 0.000 2.383 11 V HA 0.392 4.512 4.120 0.000 0.000 0.275 11 V C 0.272 176.368 176.094 0.004 0.000 1.036 11 V CA -0.717 61.562 62.300 -0.035 0.000 0.889 11 V CB 0.802 32.596 31.823 -0.050 0.000 0.985 11 V HN 0.809 nan 8.190 nan 0.000 0.459 12 I N 5.197 125.775 120.570 0.013 0.000 2.282 12 I HA 0.661 4.831 4.170 0.000 0.000 0.290 12 I C 0.794 176.926 176.117 0.025 0.000 1.090 12 I CA 0.158 61.471 61.300 0.023 0.000 1.231 12 I CB 0.590 38.603 38.000 0.023 0.000 1.434 12 I HN 0.874 nan 8.210 nan 0.000 0.487 13 G N 3.576 112.397 108.800 0.036 0.000 2.931 13 G HA2 -0.079 3.881 3.960 0.000 0.000 0.675 13 G HA3 -0.079 3.881 3.960 0.000 0.000 0.675 13 G C -0.091 174.856 174.900 0.077 0.000 1.339 13 G CA -0.309 44.812 45.100 0.036 0.000 0.866 13 G HN 0.627 nan 8.290 nan 0.000 0.616 14 S N 0.946 116.693 115.700 0.078 0.000 2.561 14 S HA 0.596 5.066 4.470 0.000 0.000 0.245 14 S C 1.281 175.965 174.600 0.140 0.000 1.001 14 S CA 0.691 58.973 58.200 0.137 0.000 1.002 14 S CB 0.575 63.803 63.200 0.047 0.000 0.805 14 S HN 1.838 nan 8.310 nan 0.000 0.458 15 G N 2.297 111.160 108.800 0.106 0.000 2.553 15 G HA2 0.414 4.374 3.960 0.000 0.000 0.278 15 G HA3 0.414 4.374 3.960 0.000 0.000 0.278 15 G C -1.611 173.411 174.900 0.204 0.000 1.349 15 G CA -1.546 43.620 45.100 0.110 0.000 1.037 15 G HN 0.173 nan 8.290 nan 0.000 0.508 16 P HA -0.159 nan 4.420 nan 0.000 0.216 16 P C 2.017 179.224 177.300 -0.156 0.000 1.157 16 P CA 2.115 65.234 63.100 0.031 0.000 0.880 16 P CB -0.031 31.678 31.700 0.015 0.000 0.791 17 G N -0.726 108.022 108.800 -0.087 0.000 2.453 17 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 17 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 17 G C 1.812 176.642 174.900 -0.117 0.000 1.201 17 G CA 1.020 46.048 45.100 -0.121 0.000 0.784 17 G HN 0.366 nan 8.290 nan 0.000 0.545 18 G N 0.383 109.163 108.800 -0.033 0.000 2.433 18 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 18 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 18 G C 1.746 176.697 174.900 0.084 0.000 1.186 18 G CA 1.436 46.545 45.100 0.016 0.000 0.779 18 G HN 0.620 nan 8.290 nan 0.000 0.543 19 Y N 0.971 121.338 120.300 0.111 0.000 2.274 19 Y HA 0.004 4.554 4.550 0.000 0.000 0.290 19 Y C 2.382 178.409 175.900 0.212 0.000 1.145 19 Y CA 1.290 59.550 58.100 0.267 0.000 1.203 19 Y CB -0.651 37.851 38.460 0.070 0.000 0.984 19 Y HN 0.026 nan 8.280 nan 0.000 0.533 20 V N 1.161 120.665 119.914 -0.684 0.000 2.453 20 V HA -0.177 3.943 4.120 0.000 0.000 0.247 20 V C 2.847 178.820 176.094 -0.200 0.000 1.048 20 V CA 1.526 63.514 62.300 -0.520 0.000 1.049 20 V CB -1.325 30.178 31.823 -0.533 0.000 0.672 20 V HN 0.628 nan 8.190 nan 0.000 0.457 21 A N 0.145 122.862 122.820 -0.171 0.000 1.933 21 A HA -0.110 4.210 4.320 0.000 0.000 0.218 21 A C 2.419 179.943 177.584 -0.101 0.000 1.175 21 A CA 2.030 53.985 52.037 -0.136 0.000 0.628 21 A CB -0.684 18.229 19.000 -0.144 0.000 0.814 21 A HN 0.543 nan 8.150 nan 0.000 0.444 22 A N 0.162 122.943 122.820 -0.065 0.000 1.858 22 A HA -0.093 4.227 4.320 0.000 0.000 0.216 22 A C 2.134 179.666 177.584 -0.086 0.000 1.190 22 A CA 1.565 53.534 52.037 -0.113 0.000 0.617 22 A CB -0.649 18.223 19.000 -0.214 0.000 0.827 22 A HN 0.488 nan 8.150 nan 0.000 0.443 23 I N -0.822 119.760 120.570 0.019 0.000 2.179 23 I HA -0.243 3.927 4.170 0.000 0.000 0.242 23 I C 2.547 178.677 176.117 0.021 0.000 1.088 23 I CA 1.837 63.172 61.300 0.058 0.000 1.357 23 I CB -0.266 37.831 38.000 0.162 0.000 1.051 23 I HN 0.233 nan 8.210 nan 0.000 0.409 24 K N 1.605 122.004 120.400 -0.002 0.000 2.057 24 K HA -0.117 4.203 4.320 0.000 0.000 0.207 24 K C 2.050 178.673 176.600 0.038 0.000 1.049 24 K CA 1.720 58.008 56.287 0.003 0.000 0.931 24 K CB -0.485 31.999 32.500 -0.027 0.000 0.714 24 K HN 0.290 nan 8.250 nan 0.000 0.440 25 A N 0.501 123.341 122.820 0.034 0.000 1.865 25 A HA -0.096 4.224 4.320 0.000 0.000 0.217 25 A C 2.396 180.090 177.584 0.183 0.000 1.191 25 A CA 2.302 54.423 52.037 0.140 0.000 0.623 25 A CB -1.212 17.780 19.000 -0.012 0.000 0.826 25 A HN 0.402 nan 8.150 nan 0.000 0.444 26 A N -1.027 121.832 122.820 0.066 0.000 1.902 26 A HA -0.234 4.086 4.320 0.000 0.000 0.217 26 A C 2.119 179.719 177.584 0.027 0.000 1.181 26 A CA 1.751 53.812 52.037 0.040 0.000 0.623 26 A CB -0.623 18.369 19.000 -0.012 0.000 0.818 26 A HN 0.648 nan 8.150 nan 0.000 0.443 27 Q N -0.812 119.003 119.800 0.025 0.000 2.226 27 Q HA -0.025 4.315 4.340 0.000 0.000 0.204 27 Q C 1.814 177.810 176.000 -0.005 0.000 0.975 27 Q CA 1.000 56.809 55.803 0.011 0.000 0.866 27 Q CB -0.206 28.542 28.738 0.017 0.000 0.915 27 Q HN 0.693 nan 8.270 nan 0.000 0.440 28 L N -1.998 119.229 121.223 0.007 0.000 2.341 28 L HA 0.063 4.403 4.340 0.000 0.000 0.214 28 L C 1.407 178.167 176.870 -0.183 0.000 1.115 28 L CA 0.810 55.621 54.840 -0.049 0.000 0.820 28 L CB 0.271 42.349 42.059 0.031 0.000 0.944 28 L HN 0.448 nan 8.230 nan 0.000 0.452 29 G N -1.322 107.385 108.800 -0.156 0.000 2.624 29 G HA2 -0.193 3.767 3.960 0.000 0.000 0.190 29 G HA3 -0.193 3.767 3.960 0.000 0.000 0.190 29 G C 0.111 174.897 174.900 -0.191 0.000 1.008 29 G CA -0.703 44.267 45.100 -0.218 0.000 0.731 29 G HN 0.028 nan 8.290 nan 0.000 0.478 30 F N 2.102 122.029 119.950 -0.038 0.000 2.518 30 F HA 0.435 4.962 4.527 0.000 0.000 0.359 30 F C 1.100 176.872 175.800 -0.047 0.000 1.118 30 F CA 0.183 58.158 58.000 -0.042 0.000 1.287 30 F CB 0.792 39.760 39.000 -0.055 0.000 1.132 30 F HN -0.021 nan 8.300 nan 0.000 0.587 31 K N 2.229 122.733 120.400 0.174 0.000 2.310 31 K HA 0.233 4.553 4.320 0.000 0.000 0.290 31 K C -0.917 175.712 176.600 0.048 0.000 1.077 31 K CA -0.090 56.240 56.287 0.072 0.000 0.922 31 K CB 0.176 32.708 32.500 0.053 0.000 1.057 31 K HN 0.689 nan 8.250 nan 0.000 0.479 32 T N 3.024 117.577 114.554 -0.001 0.000 2.807 32 T HA 0.355 4.705 4.350 0.000 0.000 0.279 32 T C -0.863 173.778 174.700 -0.100 0.000 0.993 32 T CA -0.684 61.381 62.100 -0.059 0.000 0.970 32 T CB 1.639 70.456 68.868 -0.085 0.000 0.950 32 T HN 0.246 nan 8.240 nan 0.000 0.441 33 V N 2.116 121.974 119.914 -0.094 0.000 2.540 33 V HA 0.553 4.674 4.120 0.000 0.000 0.302 33 V C -0.375 175.667 176.094 -0.087 0.000 1.035 33 V CA -0.834 61.418 62.300 -0.079 0.000 0.873 33 V CB 1.786 33.590 31.823 -0.031 0.000 0.992 33 V HN 1.096 nan 8.190 nan 0.000 0.428 34 C N 7.223 126.479 119.300 -0.073 0.000 2.340 34 C HA 0.655 5.115 4.460 0.000 0.000 0.323 34 C C -0.612 174.458 174.990 0.134 0.000 1.260 34 C CA -0.619 58.396 59.018 -0.006 0.000 1.464 34 C CB -0.147 27.549 27.740 -0.074 0.000 2.156 34 C HN 0.691 nan 8.230 nan 0.000 0.476 35 I N 5.142 125.776 120.570 0.107 0.000 2.331 35 I HA 0.487 4.657 4.170 0.000 0.000 0.292 35 I C 0.010 176.200 176.117 0.122 0.000 0.998 35 I CA 0.039 61.413 61.300 0.125 0.000 1.267 35 I CB 1.085 39.124 38.000 0.066 0.000 1.386 35 I HN 0.683 nan 8.210 nan 0.000 0.476 36 E N 5.648 125.954 120.200 0.177 0.000 2.244 36 E HA 0.290 4.640 4.350 0.000 0.000 0.260 36 E C 0.469 177.126 176.600 0.095 0.000 0.884 36 E CA -0.638 55.832 56.400 0.117 0.000 0.777 36 E CB 1.441 31.213 29.700 0.120 0.000 1.197 36 E HN 0.583 nan 8.360 nan 0.000 0.416 37 K N 2.600 123.001 120.400 0.002 0.000 2.296 37 K HA 0.088 4.408 4.320 0.000 0.000 0.200 37 K C 0.203 176.823 176.600 0.032 0.000 1.048 37 K CA 0.352 56.642 56.287 0.006 0.000 0.966 37 K CB 0.031 32.465 32.500 -0.110 0.000 0.754 37 K HN 0.182 nan 8.250 nan 0.000 0.466 38 N N 1.513 120.218 118.700 0.009 0.000 2.379 38 N HA -0.012 4.728 4.740 0.000 0.000 0.260 38 N C 0.593 176.121 175.510 0.031 0.000 1.254 38 N CA -0.371 52.684 53.050 0.007 0.000 0.958 38 N CB 0.941 39.410 38.487 -0.030 0.000 1.208 38 N HN 0.099 nan 8.380 nan 0.000 0.532 39 E N -0.747 119.463 120.200 0.018 0.000 2.150 39 E HA -0.059 4.291 4.350 0.000 0.000 0.193 39 E C 0.016 176.630 176.600 0.023 0.000 0.985 39 E CA 0.983 57.398 56.400 0.025 0.000 0.814 39 E CB 0.073 29.779 29.700 0.010 0.000 0.752 39 E HN 0.751 nan 8.360 nan 0.000 0.466 40 T N -3.068 111.480 114.554 -0.010 0.000 2.907 40 T HA 0.604 4.954 4.350 0.000 0.000 0.290 40 T C 0.066 174.710 174.700 -0.094 0.000 1.066 40 T CA -1.016 61.055 62.100 -0.048 0.000 1.012 40 T CB 1.024 69.849 68.868 -0.072 0.000 1.184 40 T HN -0.019 nan 8.240 nan 0.000 0.522 41 L N 0.252 121.366 121.223 -0.183 0.000 2.431 41 L HA 0.668 5.008 4.340 0.000 0.000 0.260 41 L C 1.617 178.339 176.870 -0.248 0.000 1.098 41 L CA -0.160 54.522 54.840 -0.262 0.000 0.800 41 L CB 0.852 42.624 42.059 -0.478 0.000 1.210 41 L HN 1.180 nan 8.230 nan 0.000 0.465 42 G N -0.470 108.192 108.800 -0.230 0.000 2.231 42 G HA2 -0.001 3.959 3.960 0.000 0.000 0.206 42 G HA3 -0.001 3.959 3.960 0.000 0.000 0.206 42 G C 0.619 175.481 174.900 -0.064 0.000 0.996 42 G CA -0.044 44.945 45.100 -0.184 0.000 0.645 42 G HN 1.370 nan 8.290 nan 0.000 0.498 43 G N -0.558 108.208 108.800 -0.057 0.000 2.591 43 G HA2 -0.114 3.846 3.960 0.000 0.000 0.278 43 G HA3 -0.114 3.846 3.960 0.000 0.000 0.278 43 G C 1.130 176.001 174.900 -0.048 0.000 1.293 43 G CA 1.412 46.487 45.100 -0.042 0.000 0.930 43 G HN 1.313 nan 8.290 nan 0.000 0.562 44 T N -0.184 114.344 114.554 -0.043 0.000 2.652 44 T HA -0.259 4.091 4.350 0.000 0.000 0.267 44 T C 2.558 177.241 174.700 -0.029 0.000 1.039 44 T CA 3.090 65.165 62.100 -0.040 0.000 1.153 44 T CB -0.919 67.929 68.868 -0.034 0.000 0.863 44 T HN 1.320 nan 8.240 nan 0.000 0.428 45 C N 1.419 120.709 119.300 -0.017 0.000 2.367 45 C HA -0.143 4.317 4.460 0.000 0.000 0.276 45 C C 2.536 177.508 174.990 -0.029 0.000 1.195 45 C CA 1.019 60.029 59.018 -0.013 0.000 1.756 45 C CB -1.497 26.249 27.740 0.010 0.000 2.046 45 C HN 0.470 nan 8.230 nan 0.000 0.453 46 L N 1.493 122.692 121.223 -0.041 0.000 2.095 46 L HA 0.007 4.347 4.340 0.000 0.000 0.204 46 L C 2.623 179.455 176.870 -0.064 0.000 1.080 46 L CA 1.912 56.713 54.840 -0.066 0.000 0.759 46 L CB -0.777 41.218 42.059 -0.106 0.000 0.914 46 L HN 0.471 nan 8.230 nan 0.000 0.439 47 N N -0.661 118.003 118.700 -0.061 0.000 2.336 47 N HA -0.002 4.738 4.740 0.000 0.000 0.177 47 N C 0.999 176.486 175.510 -0.037 0.000 1.018 47 N CA 1.629 54.647 53.050 -0.053 0.000 0.878 47 N CB 0.669 39.122 38.487 -0.057 0.000 0.997 47 N HN 0.334 nan 8.380 nan 0.000 0.433 48 V N -3.732 116.163 119.914 -0.032 0.000 3.157 48 V HA 0.622 4.742 4.120 0.000 0.000 0.361 48 V C 0.520 176.608 176.094 -0.010 0.000 1.421 48 V CA -0.224 62.066 62.300 -0.017 0.000 1.213 48 V CB 0.540 32.353 31.823 -0.017 0.000 1.164 48 V HN 0.116 nan 8.190 nan 0.000 0.559 49 G N -0.149 108.641 108.800 -0.018 0.000 3.259 49 G HA2 0.147 4.107 3.960 0.000 0.000 0.193 49 G HA3 0.147 4.107 3.960 0.000 0.000 0.193 49 G C 1.206 176.092 174.900 -0.024 0.000 1.457 49 G CA 0.636 45.729 45.100 -0.011 0.000 0.771 49 G HN 0.432 nan 8.290 nan 0.000 0.765 50 C N 0.424 119.705 119.300 -0.033 0.000 2.385 50 C HA -0.090 4.370 4.460 0.000 0.000 0.275 50 C C 2.812 177.738 174.990 -0.107 0.000 1.207 50 C CA 1.767 60.742 59.018 -0.072 0.000 1.760 50 C CB -1.249 26.456 27.740 -0.059 0.000 2.051 50 C HN 0.373 nan 8.230 nan 0.000 0.467 51 I N 2.617 123.138 120.570 -0.081 0.000 2.163 51 I HA -0.041 4.129 4.170 0.000 0.000 0.240 51 I C 0.067 176.139 176.117 -0.075 0.000 1.081 51 I CA 1.942 63.191 61.300 -0.085 0.000 1.353 51 I CB -1.681 36.276 38.000 -0.071 0.000 1.054 51 I HN 0.350 nan 8.210 nan 0.000 0.407 52 P HA -0.127 nan 4.420 nan 0.000 0.216 52 P C 1.790 179.061 177.300 -0.049 0.000 1.153 52 P CA 2.067 65.140 63.100 -0.044 0.000 0.844 52 P CB -0.153 31.532 31.700 -0.024 0.000 0.787 53 S N 0.640 116.314 115.700 -0.045 0.000 2.353 53 S HA -0.174 4.296 4.470 0.000 0.000 0.222 53 S C 2.077 176.632 174.600 -0.076 0.000 1.035 53 S CA 1.321 59.497 58.200 -0.040 0.000 1.025 53 S CB -1.121 62.073 63.200 -0.009 0.000 0.902 53 S HN -0.022 nan 8.310 nan 0.000 0.440 54 K N 2.210 122.532 120.400 -0.130 0.000 2.103 54 K HA 0.181 4.501 4.320 0.000 0.000 0.207 54 K C 2.408 178.949 176.600 -0.099 0.000 1.048 54 K CA 1.305 57.489 56.287 -0.170 0.000 0.930 54 K CB -1.056 31.267 32.500 -0.295 0.000 0.716 54 K HN 0.516 nan 8.250 nan 0.000 0.444 55 A N 0.612 123.384 122.820 -0.081 0.000 1.883 55 A HA -0.158 4.162 4.320 0.000 0.000 0.217 55 A C 2.128 179.678 177.584 -0.058 0.000 1.186 55 A CA 1.491 53.497 52.037 -0.052 0.000 0.624 55 A CB -0.713 18.259 19.000 -0.047 0.000 0.822 55 A HN 0.218 nan 8.150 nan 0.000 0.444 56 L N -0.938 120.232 121.223 -0.089 0.000 2.093 56 L HA -0.134 4.206 4.340 0.000 0.000 0.208 56 L C 2.541 179.330 176.870 -0.135 0.000 1.085 56 L CA 0.803 55.556 54.840 -0.145 0.000 0.755 56 L CB -0.493 41.442 42.059 -0.206 0.000 0.904 56 L HN 0.361 nan 8.230 nan 0.000 0.435 57 L N -0.439 120.731 121.223 -0.088 0.000 2.083 57 L HA -0.222 4.118 4.340 0.000 0.000 0.209 57 L C 2.466 179.309 176.870 -0.045 0.000 1.083 57 L CA 1.203 56.016 54.840 -0.046 0.000 0.752 57 L CB -0.569 41.495 42.059 0.010 0.000 0.899 57 L HN 0.375 nan 8.230 nan 0.000 0.433 58 N N -0.020 118.648 118.700 -0.054 0.000 2.106 58 N HA -0.172 4.568 4.740 0.000 0.000 0.188 58 N C 1.515 176.993 175.510 -0.054 0.000 1.029 58 N CA 1.372 54.375 53.050 -0.078 0.000 0.848 58 N CB 0.031 38.529 38.487 0.018 0.000 1.007 58 N HN 0.360 nan 8.380 nan 0.000 0.423 59 N N 0.514 119.231 118.700 0.029 0.000 2.216 59 N HA -0.101 4.639 4.740 0.000 0.000 0.183 59 N C 1.919 177.453 175.510 0.039 0.000 1.017 59 N CA 1.177 54.279 53.050 0.088 0.000 0.861 59 N CB -0.571 37.928 38.487 0.020 0.000 0.986 59 N HN 0.313 nan 8.380 nan 0.000 0.428 60 S N 0.050 115.722 115.700 -0.048 0.000 2.402 60 S HA -0.163 4.307 4.470 0.000 0.000 0.229 60 S C 1.927 176.554 174.600 0.046 0.000 1.021 60 S CA 1.104 59.278 58.200 -0.044 0.000 0.974 60 S CB -0.533 62.569 63.200 -0.164 0.000 0.800 60 S HN 0.475 nan 8.310 nan 0.000 0.484 61 H N 0.577 119.578 119.070 -0.114 0.000 2.326 61 H HA -0.031 4.525 4.556 0.000 0.000 0.301 61 H C 1.644 176.859 175.328 -0.188 0.000 1.081 61 H CA 1.949 57.886 56.048 -0.185 0.000 1.334 61 H CB -0.640 28.890 29.762 -0.387 0.000 1.385 61 H HN 0.445 nan 8.280 nan 0.000 0.504 62 Y N -0.878 119.315 120.300 -0.178 0.000 2.293 62 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 62 Y C 2.420 178.149 175.900 -0.285 0.000 1.137 62 Y CA 1.281 59.211 58.100 -0.284 0.000 1.202 62 Y CB -1.137 37.259 38.460 -0.107 0.000 0.990 62 Y HN 0.363 nan 8.280 nan 0.000 0.537 63 Y N -0.063 120.189 120.300 -0.080 0.000 2.145 63 Y HA -0.300 4.250 4.550 0.000 0.000 0.286 63 Y C 2.846 178.699 175.900 -0.078 0.000 1.145 63 Y CA 2.204 60.248 58.100 -0.092 0.000 1.148 63 Y CB -0.936 37.472 38.460 -0.087 0.000 0.981 63 Y HN 0.326 nan 8.280 nan 0.000 0.507 64 H N -0.741 118.192 119.070 -0.228 0.000 2.352 64 H HA -0.175 4.381 4.556 0.000 0.000 0.299 64 H C 1.926 177.053 175.328 -0.336 0.000 1.097 64 H CA 1.523 57.414 56.048 -0.261 0.000 1.311 64 H CB 0.105 29.784 29.762 -0.139 0.000 1.377 64 H HN 0.298 nan 8.280 nan 0.000 0.504 65 M N 0.471 119.737 119.600 -0.556 0.000 2.117 65 M HA -0.094 4.386 4.480 0.000 0.000 0.262 65 M C 2.712 178.590 176.300 -0.703 0.000 1.065 65 M CA 1.293 56.214 55.300 -0.631 0.000 1.114 65 M CB -1.083 31.150 32.600 -0.611 0.000 1.361 65 M HN 0.433 nan 8.290 nan 0.000 0.408 66 A N -1.342 120.962 122.820 -0.860 0.000 1.930 66 A HA -0.158 4.162 4.320 0.000 0.000 0.215 66 A C 2.140 179.501 177.584 -0.371 0.000 1.176 66 A CA 1.271 52.852 52.037 -0.759 0.000 0.632 66 A CB -0.922 17.696 19.000 -0.636 0.000 0.819 66 A HN 0.557 nan 8.150 nan 0.000 0.445 67 H N -0.222 118.539 119.070 -0.515 0.000 2.482 67 H HA 0.092 4.648 4.556 0.000 0.000 0.286 67 H C 1.368 176.554 175.328 -0.236 0.000 1.017 67 H CA 1.116 56.902 56.048 -0.437 0.000 1.322 67 H CB -0.022 29.240 29.762 -0.835 0.000 1.426 67 H HN 0.437 nan 8.280 nan 0.000 0.546 68 G N -0.517 108.201 108.800 -0.137 0.000 2.714 68 G HA2 0.028 3.988 3.960 0.000 0.000 0.197 68 G HA3 0.028 3.988 3.960 0.000 0.000 0.197 68 G C 1.132 175.973 174.900 -0.097 0.000 1.449 68 G CA 0.493 45.555 45.100 -0.064 0.000 1.065 68 G HN 0.363 nan 8.290 nan 0.000 0.575 69 T N -2.734 111.787 114.554 -0.056 0.000 3.065 69 T HA 0.040 4.391 4.350 0.000 0.000 0.252 69 T C 1.501 176.198 174.700 -0.006 0.000 1.099 69 T CA 1.302 63.385 62.100 -0.029 0.000 1.063 69 T CB 0.095 68.960 68.868 -0.005 0.000 0.948 69 T HN 0.395 nan 8.240 nan 0.000 0.506 70 D N 0.651 121.033 120.400 -0.030 0.000 2.087 70 D HA -0.134 4.506 4.640 0.000 0.000 0.192 70 D C 1.535 177.949 176.300 0.189 0.000 0.993 70 D CA 1.218 55.247 54.000 0.049 0.000 0.828 70 D CB -0.290 40.513 40.800 0.005 0.000 0.968 70 D HN 0.272 nan 8.370 nan 0.000 0.448 71 F N 0.851 120.744 119.950 -0.094 0.000 2.126 71 F HA -0.028 4.499 4.527 0.000 0.000 0.299 71 F C 2.475 178.241 175.800 -0.056 0.000 1.096 71 F CA 1.005 58.964 58.000 -0.070 0.000 1.255 71 F CB -1.172 37.783 39.000 -0.076 0.000 0.997 71 F HN 0.052 nan 8.300 nan 0.000 0.479 72 A N -0.192 122.700 122.820 0.119 0.000 1.940 72 A HA -0.217 4.103 4.320 0.000 0.000 0.219 72 A C 2.366 179.958 177.584 0.014 0.000 1.176 72 A CA 2.173 54.234 52.037 0.039 0.000 0.631 72 A CB -1.228 17.780 19.000 0.014 0.000 0.814 72 A HN 0.420 nan 8.150 nan 0.000 0.446 73 S N -0.482 115.230 115.700 0.020 0.000 2.474 73 S HA -0.103 4.367 4.470 0.000 0.000 0.235 73 S C 1.613 176.206 174.600 -0.011 0.000 0.997 73 S CA 1.131 59.336 58.200 0.007 0.000 0.949 73 S CB -0.328 62.882 63.200 0.017 0.000 0.766 73 S HN 0.619 nan 8.310 nan 0.000 0.517 74 R N 0.476 120.956 120.500 -0.033 0.000 2.359 74 R HA 0.320 4.660 4.340 0.000 0.000 0.231 74 R C 1.313 177.559 176.300 -0.091 0.000 0.913 74 R CA 0.362 56.414 56.100 -0.080 0.000 1.075 74 R CB 0.052 30.255 30.300 -0.162 0.000 1.087 74 R HN 0.541 nan 8.270 nan 0.000 0.515 75 G N 1.598 110.362 108.800 -0.060 0.000 2.147 75 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 75 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 75 G C 0.073 174.932 174.900 -0.069 0.000 1.005 75 G CA -0.226 44.841 45.100 -0.054 0.000 0.713 75 G HN 0.274 nan 8.290 nan 0.000 0.515 76 I N 1.355 121.875 120.570 -0.084 0.000 2.337 76 I HA 0.312 4.482 4.170 0.000 0.000 0.285 76 I C 0.083 176.213 176.117 0.021 0.000 1.041 76 I CA -0.355 60.899 61.300 -0.077 0.000 1.199 76 I CB 0.857 38.718 38.000 -0.232 0.000 1.370 76 I HN 0.115 nan 8.210 nan 0.000 0.470 77 E N 6.873 127.079 120.200 0.012 0.000 2.133 77 E HA 0.577 4.927 4.350 0.000 0.000 0.274 77 E C -0.956 175.658 176.600 0.023 0.000 0.930 77 E CA -0.773 55.638 56.400 0.019 0.000 0.770 77 E CB 1.972 31.673 29.700 0.002 0.000 1.104 77 E HN 0.382 nan 8.360 nan 0.000 0.403 78 M N 1.224 120.838 119.600 0.023 0.000 2.465 78 M HA 0.231 4.711 4.480 0.000 0.000 0.316 78 M C 0.729 177.027 176.300 -0.003 0.000 1.121 78 M CA -0.262 55.047 55.300 0.016 0.000 0.934 78 M CB 2.103 34.715 32.600 0.020 0.000 1.692 78 M HN 0.303 nan 8.290 nan 0.000 0.444 79 S N 0.187 115.886 115.700 -0.001 0.000 2.377 79 S HA 0.050 4.520 4.470 0.000 0.000 0.223 79 S C 0.234 174.827 174.600 -0.011 0.000 1.030 79 S CA 0.777 58.973 58.200 -0.007 0.000 0.970 79 S CB 0.099 63.299 63.200 -0.000 0.000 0.830 79 S HN 0.720 nan 8.310 nan 0.000 0.473 80 E N 0.323 120.523 120.200 0.001 0.000 2.308 80 E HA 0.485 4.835 4.350 0.000 0.000 0.275 80 E C -1.982 174.637 176.600 0.030 0.000 0.890 80 E CA -0.428 55.978 56.400 0.011 0.000 0.754 80 E CB 1.956 31.671 29.700 0.026 0.000 1.207 80 E HN -0.081 nan 8.360 nan 0.000 0.426 81 V N 4.673 124.620 119.914 0.055 0.000 2.407 81 V HA 0.506 4.626 4.120 0.000 0.000 0.291 81 V C -0.375 175.860 176.094 0.234 0.000 1.018 81 V CA -0.628 61.735 62.300 0.106 0.000 0.842 81 V CB 1.373 33.216 31.823 0.034 0.000 0.996 81 V HN 0.626 nan 8.190 nan 0.000 0.426 82 R N 3.626 124.247 120.500 0.203 0.000 2.778 82 R HA 0.711 5.051 4.340 0.000 0.000 0.277 82 R C -1.171 175.258 176.300 0.216 0.000 0.977 82 R CA -1.017 55.203 56.100 0.201 0.000 0.950 82 R CB 2.185 32.548 30.300 0.105 0.000 1.165 82 R HN 0.509 nan 8.270 nan 0.000 0.474 83 L N 1.945 123.231 121.223 0.104 0.000 2.275 83 L HA 0.331 4.671 4.340 0.000 0.000 0.288 83 L C -0.650 176.177 176.870 -0.072 0.000 1.046 83 L CA -0.152 54.623 54.840 -0.109 0.000 0.805 83 L CB 1.049 42.863 42.059 -0.407 0.000 1.193 83 L HN 0.532 nan 8.230 nan 0.000 0.426 84 N N 4.650 123.311 118.700 -0.066 0.000 2.816 84 N HA 0.060 4.800 4.740 0.000 0.000 0.236 84 N C 0.692 176.166 175.510 -0.061 0.000 1.076 84 N CA -0.369 52.656 53.050 -0.041 0.000 0.902 84 N CB 0.498 38.975 38.487 -0.016 0.000 1.149 84 N HN 0.757 nan 8.380 nan 0.000 0.506 85 L N 2.497 123.680 121.223 -0.067 0.000 2.081 85 L HA -0.128 4.212 4.340 0.000 0.000 0.212 85 L C 1.306 178.163 176.870 -0.021 0.000 1.080 85 L CA 1.884 56.694 54.840 -0.050 0.000 0.754 85 L CB -0.201 41.861 42.059 0.005 0.000 0.893 85 L HN 0.419 nan 8.230 nan 0.000 0.433 86 D N -0.564 119.828 120.400 -0.012 0.000 2.097 86 D HA -0.225 4.415 4.640 0.000 0.000 0.195 86 D C 2.144 178.437 176.300 -0.012 0.000 0.989 86 D CA 1.346 55.343 54.000 -0.006 0.000 0.827 86 D CB -0.015 40.782 40.800 -0.005 0.000 0.966 86 D HN 0.231 nan 8.370 nan 0.000 0.456 87 K N 0.635 121.025 120.400 -0.017 0.000 2.097 87 K HA -0.036 4.284 4.320 0.000 0.000 0.205 87 K C 2.054 178.640 176.600 -0.023 0.000 1.050 87 K CA 0.747 57.024 56.287 -0.017 0.000 0.938 87 K CB -0.333 32.159 32.500 -0.013 0.000 0.718 87 K HN 0.073 nan 8.250 nan 0.000 0.442 88 M N -0.600 118.977 119.600 -0.039 0.000 2.175 88 M HA -0.123 4.357 4.480 0.000 0.000 0.264 88 M C 1.525 177.797 176.300 -0.047 0.000 1.063 88 M CA 1.341 56.609 55.300 -0.053 0.000 1.119 88 M CB 0.035 32.574 32.600 -0.101 0.000 1.377 88 M HN 0.166 nan 8.290 nan 0.000 0.415 89 M N -0.234 119.346 119.600 -0.033 0.000 2.229 89 M HA -0.172 4.308 4.480 0.000 0.000 0.264 89 M C 1.920 178.211 176.300 -0.015 0.000 1.063 89 M CA 1.551 56.842 55.300 -0.016 0.000 1.114 89 M CB -1.278 31.329 32.600 0.011 0.000 1.387 89 M HN 0.430 nan 8.290 nan 0.000 0.420 90 E N 0.120 120.311 120.200 -0.015 0.000 2.031 90 E HA -0.248 4.102 4.350 0.000 0.000 0.193 90 E C 2.092 178.682 176.600 -0.017 0.000 0.994 90 E CA 1.211 57.602 56.400 -0.014 0.000 0.800 90 E CB -0.043 29.649 29.700 -0.013 0.000 0.752 90 E HN 0.379 nan 8.360 nan 0.000 0.447 91 Q N 1.144 120.933 119.800 -0.018 0.000 2.135 91 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 91 Q C 2.117 178.104 176.000 -0.020 0.000 0.981 91 Q CA 1.760 57.553 55.803 -0.016 0.000 0.856 91 Q CB -0.185 28.547 28.738 -0.010 0.000 0.902 91 Q HN 0.216 nan 8.270 nan 0.000 0.425 92 K N -0.310 120.075 120.400 -0.025 0.000 2.002 92 K HA -0.107 4.213 4.320 0.000 0.000 0.209 92 K C 2.175 178.758 176.600 -0.028 0.000 1.048 92 K CA 1.679 57.948 56.287 -0.030 0.000 0.930 92 K CB -0.085 32.395 32.500 -0.033 0.000 0.714 92 K HN 0.070 nan 8.250 nan 0.000 0.438 93 S N 0.392 116.078 115.700 -0.023 0.000 2.370 93 S HA -0.132 4.338 4.470 0.000 0.000 0.226 93 S C 1.919 176.501 174.600 -0.029 0.000 1.033 93 S CA 1.908 60.094 58.200 -0.023 0.000 1.011 93 S CB -0.466 62.724 63.200 -0.017 0.000 0.852 93 S HN 0.471 nan 8.310 nan 0.000 0.457 94 T N 2.135 116.673 114.554 -0.027 0.000 2.720 94 T HA -0.071 4.279 4.350 0.000 0.000 0.268 94 T C 2.091 176.770 174.700 -0.036 0.000 1.037 94 T CA 1.270 63.352 62.100 -0.029 0.000 1.144 94 T CB -0.445 68.408 68.868 -0.024 0.000 0.864 94 T HN 0.481 nan 8.240 nan 0.000 0.444 95 A N 0.718 123.517 122.820 -0.036 0.000 1.898 95 A HA -0.006 4.314 4.320 0.000 0.000 0.216 95 A C 2.563 180.115 177.584 -0.053 0.000 1.181 95 A CA 1.116 53.128 52.037 -0.043 0.000 0.620 95 A CB -0.893 18.083 19.000 -0.040 0.000 0.819 95 A HN 0.353 nan 8.150 nan 0.000 0.442 96 V N 0.244 120.127 119.914 -0.052 0.000 2.343 96 V HA -0.272 3.848 4.120 0.000 0.000 0.247 96 V C 2.542 178.595 176.094 -0.068 0.000 1.051 96 V CA 2.428 64.692 62.300 -0.061 0.000 1.036 96 V CB -0.610 31.182 31.823 -0.051 0.000 0.654 96 V HN 0.695 nan 8.190 nan 0.000 0.451 97 K N 0.171 120.537 120.400 -0.057 0.000 2.025 97 K HA -0.151 4.170 4.320 0.000 0.000 0.207 97 K C 2.211 178.770 176.600 -0.069 0.000 1.049 97 K CA 1.510 57.762 56.287 -0.058 0.000 0.933 97 K CB -0.355 32.118 32.500 -0.044 0.000 0.714 97 K HN 0.411 nan 8.250 nan 0.000 0.438 98 A N 1.105 123.885 122.820 -0.065 0.000 1.902 98 A HA -0.128 4.193 4.320 0.000 0.000 0.217 98 A C 2.103 179.631 177.584 -0.093 0.000 1.181 98 A CA 1.354 53.348 52.037 -0.072 0.000 0.623 98 A CB -0.593 18.370 19.000 -0.062 0.000 0.818 98 A HN 0.328 nan 8.150 nan 0.000 0.443 99 L N -0.164 121.000 121.223 -0.098 0.000 2.109 99 L HA -0.132 4.208 4.340 0.000 0.000 0.207 99 L C 3.017 179.781 176.870 -0.178 0.000 1.086 99 L CA 1.662 56.427 54.840 -0.125 0.000 0.760 99 L CB -0.727 41.266 42.059 -0.110 0.000 0.910 99 L HN 0.664 nan 8.230 nan 0.000 0.437 100 T N -3.224 111.232 114.554 -0.163 0.000 2.737 100 T HA -0.107 4.243 4.350 0.000 0.000 0.265 100 T C 1.970 176.548 174.700 -0.203 0.000 1.038 100 T CA 1.034 63.013 62.100 -0.202 0.000 1.144 100 T CB -1.019 67.759 68.868 -0.149 0.000 0.866 100 T HN 0.358 nan 8.240 nan 0.000 0.434 101 G N 1.178 109.896 108.800 -0.138 0.000 2.432 101 G HA2 0.082 4.042 3.960 0.000 0.000 0.219 101 G HA3 0.082 4.042 3.960 0.000 0.000 0.219 101 G C 1.718 176.553 174.900 -0.108 0.000 1.135 101 G CA 0.643 45.680 45.100 -0.105 0.000 0.767 101 G HN 0.675 nan 8.290 nan 0.000 0.550 102 G N 1.109 109.829 108.800 -0.133 0.000 2.432 102 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 102 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 102 G C 1.622 176.428 174.900 -0.157 0.000 1.135 102 G CA 0.854 45.883 45.100 -0.117 0.000 0.767 102 G HN 0.327 nan 8.290 nan 0.000 0.550 103 I N 1.877 122.248 120.570 -0.332 0.000 2.252 103 I HA -0.098 4.072 4.170 0.000 0.000 0.245 103 I C 3.240 179.037 176.117 -0.533 0.000 1.102 103 I CA 1.036 61.990 61.300 -0.577 0.000 1.385 103 I CB -1.439 36.026 38.000 -0.891 0.000 1.064 103 I HN 0.254 nan 8.210 nan 0.000 0.414 104 A N 0.356 122.959 122.820 -0.361 0.000 1.883 104 A HA -0.282 4.038 4.320 0.000 0.000 0.217 104 A C 2.400 179.978 177.584 -0.009 0.000 1.186 104 A CA 1.989 53.914 52.037 -0.187 0.000 0.624 104 A CB -1.207 17.747 19.000 -0.077 0.000 0.822 104 A HN 0.553 nan 8.150 nan 0.000 0.444 105 H N 0.016 119.043 119.070 -0.071 0.000 2.421 105 H HA -0.011 4.545 4.556 0.000 0.000 0.298 105 H C 1.822 177.171 175.328 0.034 0.000 1.087 105 H CA 1.720 57.763 56.048 -0.009 0.000 1.330 105 H CB -0.155 29.592 29.762 -0.025 0.000 1.388 105 H HN 0.438 nan 8.280 nan 0.000 0.526 106 L N -0.427 120.863 121.223 0.111 0.000 2.156 106 L HA -0.146 4.194 4.340 0.000 0.000 0.208 106 L C 2.522 179.533 176.870 0.234 0.000 1.095 106 L CA 0.466 55.393 54.840 0.144 0.000 0.770 106 L CB -0.481 41.677 42.059 0.166 0.000 0.914 106 L HN 0.142 nan 8.230 nan 0.000 0.439 107 F N 0.804 120.745 119.950 -0.016 0.000 2.146 107 F HA -0.195 4.332 4.527 0.000 0.000 0.298 107 F C 2.592 178.372 175.800 -0.033 0.000 1.096 107 F CA 1.168 59.163 58.000 -0.009 0.000 1.275 107 F CB -0.750 38.243 39.000 -0.012 0.000 1.008 107 F HN 0.041 nan 8.300 nan 0.000 0.480 108 K N 0.414 120.889 120.400 0.126 0.000 1.991 108 K HA -0.271 4.049 4.320 0.000 0.000 0.212 108 K C 2.195 178.763 176.600 -0.054 0.000 1.049 108 K CA 1.858 58.147 56.287 0.004 0.000 0.932 108 K CB -0.482 31.975 32.500 -0.072 0.000 0.717 108 K HN 0.244 nan 8.250 nan 0.000 0.441 109 Q N 0.215 119.926 119.800 -0.147 0.000 2.133 109 Q HA -0.188 4.152 4.340 0.000 0.000 0.208 109 Q C 1.046 177.031 176.000 -0.026 0.000 0.991 109 Q CA 1.820 57.552 55.803 -0.118 0.000 0.867 109 Q CB -0.030 28.617 28.738 -0.151 0.000 0.911 109 Q HN 0.417 nan 8.270 nan 0.000 0.417 110 N N 0.093 118.802 118.700 0.015 0.000 2.322 110 N HA 0.026 4.766 4.740 0.000 0.000 0.194 110 N C -0.557 174.950 175.510 -0.005 0.000 1.126 110 N CA 0.261 53.323 53.050 0.020 0.000 0.845 110 N CB 0.489 39.008 38.487 0.053 0.000 0.976 110 N HN 0.191 nan 8.380 nan 0.000 0.475 111 K N 0.071 120.465 120.400 -0.009 0.000 3.117 111 K HA -0.119 4.201 4.320 0.000 0.000 0.269 111 K C -0.740 175.828 176.600 -0.053 0.000 1.098 111 K CA 0.112 56.387 56.287 -0.020 0.000 0.785 111 K CB -1.624 30.866 32.500 -0.016 0.000 1.242 111 K HN -0.040 nan 8.250 nan 0.000 0.491 112 V N 1.035 120.886 119.914 -0.105 0.000 2.607 112 V HA 0.174 4.294 4.120 0.000 0.000 0.289 112 V C 0.773 176.770 176.094 -0.161 0.000 1.053 112 V CA -0.714 61.436 62.300 -0.249 0.000 0.996 112 V CB 1.791 33.200 31.823 -0.688 0.000 0.995 112 V HN 0.053 nan 8.190 nan 0.000 0.476 113 V N 4.463 124.301 119.914 -0.127 0.000 2.368 113 V HA 0.165 4.285 4.120 0.000 0.000 0.266 113 V C 0.023 176.140 176.094 0.038 0.000 1.045 113 V CA -0.468 61.817 62.300 -0.025 0.000 0.899 113 V CB 0.517 32.328 31.823 -0.019 0.000 1.006 113 V HN 0.872 nan 8.190 nan 0.000 0.470 114 H N 5.370 124.447 119.070 0.012 0.000 2.846 114 H HA 0.425 4.981 4.556 0.000 0.000 0.278 114 H C -0.711 174.654 175.328 0.062 0.000 1.117 114 H CA -0.469 55.635 56.048 0.093 0.000 1.406 114 H CB 0.971 30.863 29.762 0.218 0.000 1.445 114 H HN 0.346 nan 8.280 nan 0.000 0.469 115 V N 7.106 127.112 119.914 0.153 0.000 2.347 115 V HA 0.137 4.257 4.120 0.000 0.000 0.280 115 V C 0.461 176.543 176.094 -0.020 0.000 1.021 115 V CA -0.963 61.323 62.300 -0.023 0.000 0.847 115 V CB 1.014 32.856 31.823 0.033 0.000 0.990 115 V HN 0.784 nan 8.190 nan 0.000 0.444 116 N N 3.712 122.306 118.700 -0.176 0.000 2.455 116 N HA 0.666 5.406 4.740 0.000 0.000 0.280 116 N C -0.094 175.427 175.510 0.018 0.000 1.055 116 N CA 0.792 53.813 53.050 -0.048 0.000 0.961 116 N CB 1.841 40.258 38.487 -0.118 0.000 1.121 116 N HN 0.989 nan 8.380 nan 0.000 0.476 117 G N 1.835 110.675 108.800 0.067 0.000 2.321 117 G HA2 0.004 3.964 3.960 0.000 0.000 0.339 117 G HA3 0.004 3.964 3.960 0.000 0.000 0.339 117 G C -2.076 172.899 174.900 0.125 0.000 1.518 117 G CA -0.946 44.211 45.100 0.094 0.000 0.994 117 G HN 0.443 nan 8.290 nan 0.000 0.668 118 Y N 1.542 121.876 120.300 0.056 0.000 2.480 118 Y HA 0.484 5.034 4.550 0.000 0.000 0.341 118 Y C 1.083 177.020 175.900 0.062 0.000 1.031 118 Y CA 0.865 59.007 58.100 0.070 0.000 1.295 118 Y CB 0.847 39.349 38.460 0.070 0.000 1.162 118 Y HN 0.792 nan 8.280 nan 0.000 0.523 119 G N 5.764 114.641 108.800 0.129 0.000 2.395 119 G HA2 0.394 4.354 3.960 0.000 0.000 0.283 119 G HA3 0.394 4.354 3.960 0.000 0.000 0.283 119 G C -1.301 173.723 174.900 0.205 0.000 1.178 119 G CA -0.742 44.442 45.100 0.140 0.000 0.837 119 G HN 0.607 nan 8.290 nan 0.000 0.518 120 K N 2.348 122.838 120.400 0.151 0.000 2.535 120 K HA 0.326 4.646 4.320 0.000 0.000 0.250 120 K C -0.545 176.099 176.600 0.074 0.000 0.948 120 K CA -0.809 55.553 56.287 0.125 0.000 0.796 120 K CB 1.629 34.198 32.500 0.114 0.000 1.216 120 K HN 0.404 nan 8.250 nan 0.000 0.432 121 I N 4.951 125.556 120.570 0.058 0.000 2.471 121 I HA -0.030 4.140 4.170 0.000 0.000 0.294 121 I C 1.360 177.496 176.117 0.033 0.000 1.123 121 I CA 0.170 61.494 61.300 0.041 0.000 1.336 121 I CB 0.760 38.781 38.000 0.034 0.000 1.430 121 I HN 0.761 nan 8.210 nan 0.000 0.533 122 T N 1.188 115.760 114.554 0.030 0.000 3.065 122 T HA 0.259 4.609 4.350 0.000 0.000 0.252 122 T C 0.726 175.436 174.700 0.017 0.000 1.099 122 T CA -0.018 62.096 62.100 0.023 0.000 1.063 122 T CB 0.437 69.319 68.868 0.023 0.000 0.948 122 T HN 0.635 nan 8.240 nan 0.000 0.506 123 G N -0.060 108.751 108.800 0.018 0.000 2.704 123 G HA2 0.452 4.412 3.960 0.000 0.000 0.293 123 G HA3 0.452 4.412 3.960 0.000 0.000 0.293 123 G C -0.011 174.898 174.900 0.015 0.000 1.421 123 G CA -0.923 44.186 45.100 0.014 0.000 0.870 123 G HN -0.040 nan 8.290 nan 0.000 0.492 124 K N -0.166 120.241 120.400 0.012 0.000 2.286 124 K HA -0.064 4.256 4.320 0.000 0.000 0.203 124 K C 0.630 177.240 176.600 0.017 0.000 1.045 124 K CA 1.027 57.321 56.287 0.012 0.000 0.935 124 K CB 0.117 32.621 32.500 0.007 0.000 0.737 124 K HN 0.388 nan 8.250 nan 0.000 0.460 125 N N 0.260 118.970 118.700 0.018 0.000 2.377 125 N HA 0.013 4.753 4.740 0.000 0.000 0.259 125 N C -0.991 174.531 175.510 0.019 0.000 1.332 125 N CA 0.048 53.110 53.050 0.021 0.000 0.877 125 N CB 1.239 39.738 38.487 0.020 0.000 1.299 125 N HN 0.175 nan 8.380 nan 0.000 0.501 126 Q N 1.049 120.861 119.800 0.020 0.000 2.315 126 Q HA 0.448 4.788 4.340 0.000 0.000 0.273 126 Q C -1.872 174.143 176.000 0.024 0.000 1.053 126 Q CA -0.485 55.330 55.803 0.020 0.000 0.817 126 Q CB 2.525 31.274 28.738 0.018 0.000 1.326 126 Q HN -0.140 nan 8.270 nan 0.000 0.423 127 V N 2.391 122.321 119.914 0.026 0.000 2.588 127 V HA 0.558 4.678 4.120 0.000 0.000 0.304 127 V C -0.686 175.430 176.094 0.037 0.000 1.042 127 V CA -0.523 61.797 62.300 0.034 0.000 0.877 127 V CB 2.217 34.059 31.823 0.032 0.000 0.996 127 V HN 0.854 nan 8.190 nan 0.000 0.425 128 T N 3.786 118.369 114.554 0.048 0.000 2.812 128 T HA 0.710 5.060 4.350 0.000 0.000 0.282 128 T C -0.159 174.585 174.700 0.072 0.000 0.990 128 T CA -0.315 61.815 62.100 0.050 0.000 0.960 128 T CB 1.592 70.486 68.868 0.043 0.000 0.948 128 T HN 0.922 nan 8.240 nan 0.000 0.438 129 A N 2.840 125.700 122.820 0.066 0.000 2.271 129 A HA 0.661 4.981 4.320 0.000 0.000 0.317 129 A C 0.254 177.885 177.584 0.078 0.000 1.245 129 A CA -0.672 51.416 52.037 0.084 0.000 0.857 129 A CB 0.431 19.471 19.000 0.065 0.000 1.175 129 A HN 0.685 nan 8.150 nan 0.000 0.512 130 T N 3.109 117.728 114.554 0.109 0.000 2.753 130 T HA 0.200 4.550 4.350 0.000 0.000 0.297 130 T C 0.844 175.598 174.700 0.089 0.000 0.981 130 T CA -0.365 61.784 62.100 0.082 0.000 0.956 130 T CB 0.784 69.694 68.868 0.070 0.000 0.936 130 T HN 0.644 nan 8.240 nan 0.000 0.463 131 K N 2.407 122.841 120.400 0.057 0.000 2.664 131 K HA 0.104 4.424 4.320 0.000 0.000 0.193 131 K C 1.683 178.312 176.600 0.049 0.000 1.028 131 K CA 0.395 56.711 56.287 0.048 0.000 1.005 131 K CB -0.313 32.202 32.500 0.024 0.000 0.815 131 K HN 0.802 nan 8.250 nan 0.000 0.496 132 A N 1.850 124.704 122.820 0.056 0.000 4.320 132 A HA -0.260 4.060 4.320 0.000 0.000 0.253 132 A C 1.193 178.794 177.584 0.027 0.000 0.699 132 A CA 2.021 54.085 52.037 0.045 0.000 1.188 132 A CB -1.694 17.341 19.000 0.058 0.000 1.126 132 A HN 0.683 nan 8.150 nan 0.000 0.699 133 D N -0.882 119.532 120.400 0.023 0.000 2.336 133 D HA 0.368 5.008 4.640 0.000 0.000 0.228 133 D C 1.385 177.692 176.300 0.012 0.000 1.120 133 D CA 1.096 55.105 54.000 0.015 0.000 0.839 133 D CB -0.330 40.477 40.800 0.012 0.000 0.932 133 D HN 1.885 nan 8.370 nan 0.000 0.509 134 G N 0.094 108.902 108.800 0.014 0.000 2.383 134 G HA2 -0.241 3.719 3.960 0.000 0.000 0.229 134 G HA3 -0.241 3.719 3.960 0.000 0.000 0.229 134 G C 0.798 175.706 174.900 0.013 0.000 1.089 134 G CA 0.036 45.142 45.100 0.010 0.000 0.640 134 G HN 0.781 nan 8.290 nan 0.000 0.510 135 G N 0.851 109.659 108.800 0.013 0.000 2.474 135 G HA2 0.540 4.500 3.960 0.000 0.000 0.233 135 G HA3 0.540 4.500 3.960 0.000 0.000 0.233 135 G C 0.429 175.341 174.900 0.019 0.000 1.278 135 G CA 1.732 46.840 45.100 0.013 0.000 0.861 135 G HN 1.659 nan 8.290 nan 0.000 0.567 136 T N -1.463 113.101 114.554 0.017 0.000 2.906 136 T HA 0.652 5.002 4.350 0.000 0.000 0.295 136 T C -0.791 173.920 174.700 0.019 0.000 1.075 136 T CA -0.925 61.189 62.100 0.023 0.000 1.005 136 T CB 2.391 71.272 68.868 0.022 0.000 1.136 136 T HN 0.621 nan 8.240 nan 0.000 0.498 137 Q N 1.087 120.901 119.800 0.023 0.000 2.263 137 Q HA 0.587 4.927 4.340 0.000 0.000 0.266 137 Q C -1.980 174.033 176.000 0.022 0.000 1.002 137 Q CA -0.633 55.181 55.803 0.018 0.000 0.790 137 Q CB 1.902 30.648 28.738 0.013 0.000 1.272 137 Q HN 0.753 nan 8.270 nan 0.000 0.435 138 V N 5.348 125.273 119.914 0.018 0.000 2.427 138 V HA 0.593 4.713 4.120 0.000 0.000 0.286 138 V C -0.394 175.709 176.094 0.017 0.000 1.034 138 V CA -0.572 61.739 62.300 0.019 0.000 0.893 138 V CB 1.307 33.140 31.823 0.017 0.000 0.982 138 V HN 0.731 nan 8.190 nan 0.000 0.452 139 I N 3.887 124.468 120.570 0.018 0.000 2.436 139 I HA 0.430 4.600 4.170 0.000 0.000 0.289 139 I C -0.351 175.775 176.117 0.015 0.000 1.010 139 I CA -0.213 61.095 61.300 0.014 0.000 1.098 139 I CB 1.724 39.731 38.000 0.013 0.000 1.266 139 I HN 0.472 nan 8.210 nan 0.000 0.434 140 D N 4.219 124.627 120.400 0.013 0.000 2.233 140 D HA 0.457 5.097 4.640 0.000 0.000 0.240 140 D C -0.274 176.035 176.300 0.014 0.000 1.074 140 D CA 0.003 54.012 54.000 0.015 0.000 0.838 140 D CB 2.274 43.083 40.800 0.015 0.000 1.124 140 D HN 0.485 nan 8.370 nan 0.000 0.475 141 T N 0.490 115.052 114.554 0.015 0.000 2.894 141 T HA 0.213 4.563 4.350 0.000 0.000 0.309 141 T C 0.690 175.400 174.700 0.018 0.000 1.208 141 T CA -0.612 61.495 62.100 0.012 0.000 1.016 141 T CB 1.602 70.470 68.868 0.000 0.000 1.192 141 T HN 0.153 nan 8.240 nan 0.000 0.491 142 K N 1.525 121.937 120.400 0.020 0.000 2.103 142 K HA 0.159 4.479 4.320 0.000 0.000 0.204 142 K C 0.536 177.155 176.600 0.032 0.000 1.052 142 K CA 0.798 57.104 56.287 0.032 0.000 0.945 142 K CB 0.115 32.645 32.500 0.050 0.000 0.722 142 K HN 0.435 nan 8.250 nan 0.000 0.443 143 N N 0.403 119.103 118.700 -0.001 0.000 2.238 143 N HA 0.343 5.083 4.740 0.000 0.000 0.302 143 N C -1.086 174.426 175.510 0.003 0.000 1.072 143 N CA -0.459 52.600 53.050 0.014 0.000 0.792 143 N CB 2.370 40.806 38.487 -0.085 0.000 1.425 143 N HN -0.084 nan 8.380 nan 0.000 0.478 144 I N 1.805 122.420 120.570 0.075 0.000 2.406 144 I HA 0.293 4.463 4.170 0.000 0.000 0.290 144 I C -0.853 175.327 176.117 0.106 0.000 0.999 144 I CA -0.860 60.475 61.300 0.060 0.000 1.124 144 I CB 1.891 39.928 38.000 0.061 0.000 1.289 144 I HN 0.176 nan 8.210 nan 0.000 0.441 145 L N 8.551 129.793 121.223 0.032 0.000 2.318 145 L HA 0.549 4.889 4.340 0.000 0.000 0.277 145 L C -0.651 176.238 176.870 0.032 0.000 1.008 145 L CA -0.245 54.614 54.840 0.032 0.000 0.846 145 L CB 0.996 43.005 42.059 -0.082 0.000 1.220 145 L HN 0.396 nan 8.230 nan 0.000 0.423 146 I N 5.450 126.058 120.570 0.064 0.000 2.379 146 I HA 0.436 4.606 4.170 0.000 0.000 0.290 146 I C 0.602 176.745 176.117 0.043 0.000 1.063 146 I CA 0.133 61.465 61.300 0.053 0.000 1.351 146 I CB 1.169 39.207 38.000 0.063 0.000 1.410 146 I HN 0.824 nan 8.210 nan 0.000 0.505 147 A N 3.800 126.638 122.820 0.031 0.000 3.176 147 A HA 0.252 4.572 4.320 0.000 0.000 0.265 147 A C 0.905 178.512 177.584 0.038 0.000 0.936 147 A CA -0.371 51.680 52.037 0.022 0.000 1.033 147 A CB -0.325 18.674 19.000 -0.001 0.000 1.158 147 A HN 0.740 nan 8.150 nan 0.000 0.485 148 T N -2.910 111.683 114.554 0.065 0.000 3.148 148 T HA 0.410 4.760 4.350 0.000 0.000 0.253 148 T C 1.434 176.217 174.700 0.139 0.000 1.134 148 T CA 1.075 63.242 62.100 0.112 0.000 1.051 148 T CB -0.341 68.627 68.868 0.167 0.000 0.959 148 T HN 1.951 nan 8.240 nan 0.000 0.525 149 G N 1.907 110.758 108.800 0.086 0.000 2.596 149 G HA2 -0.197 3.763 3.960 0.000 0.000 0.295 149 G HA3 -0.197 3.763 3.960 0.000 0.000 0.295 149 G C 0.115 175.082 174.900 0.112 0.000 1.240 149 G CA 0.625 45.765 45.100 0.067 0.000 0.985 149 G HN 1.607 nan 8.290 nan 0.000 0.555 150 S N -0.674 115.067 115.700 0.069 0.000 2.806 150 S HA 0.832 5.302 4.470 0.000 0.000 0.306 150 S C -0.662 173.959 174.600 0.035 0.000 1.167 150 S CA 0.390 58.646 58.200 0.093 0.000 0.847 150 S CB 2.465 65.696 63.200 0.052 0.000 1.216 150 S HN 1.817 nan 8.310 nan 0.000 0.532 151 E N -0.714 119.528 120.200 0.070 0.000 2.430 151 E HA 0.619 4.969 4.350 0.000 0.000 0.279 151 E C -1.477 175.156 176.600 0.055 0.000 1.003 151 E CA -1.272 55.148 56.400 0.033 0.000 0.801 151 E CB 1.305 31.067 29.700 0.105 0.000 1.313 151 E HN 0.405 nan 8.360 nan 0.000 0.459 152 V N 1.425 121.364 119.914 0.042 0.000 2.763 152 V HA 0.090 4.210 4.120 0.000 0.000 0.306 152 V C 0.107 176.240 176.094 0.065 0.000 1.059 152 V CA 0.318 62.649 62.300 0.052 0.000 1.138 152 V CB 1.116 32.967 31.823 0.047 0.000 0.940 152 V HN 0.723 nan 8.190 nan 0.000 0.489 153 T N 7.636 122.228 114.554 0.064 0.000 2.749 153 T HA 0.308 4.658 4.350 0.000 0.000 0.295 153 T C -2.051 172.691 174.700 0.070 0.000 0.936 153 T CA -0.612 61.522 62.100 0.057 0.000 1.060 153 T CB 1.086 69.981 68.868 0.044 0.000 0.904 153 T HN 0.619 nan 8.240 nan 0.000 0.500 154 P HA 0.312 nan 4.420 nan 0.000 0.276 154 P C -0.952 176.410 177.300 0.102 0.000 1.252 154 P CA -0.683 62.471 63.100 0.089 0.000 0.802 154 P CB 0.744 32.485 31.700 0.069 0.000 1.035 155 F N 3.263 123.218 119.950 0.009 0.000 2.361 155 F HA 0.336 4.863 4.527 0.000 0.000 0.364 155 F C -1.909 173.892 175.800 0.003 0.000 1.120 155 F CA -2.895 55.107 58.000 0.003 0.000 1.102 155 F CB 0.816 39.821 39.000 0.008 0.000 1.183 155 F HN 0.126 nan 8.300 nan 0.000 0.476 156 P HA 0.125 nan 4.420 nan 0.000 0.258 156 P C 0.569 177.920 177.300 0.084 0.000 1.187 156 P CA 1.317 64.370 63.100 -0.079 0.000 0.767 156 P CB 0.595 32.180 31.700 -0.192 0.000 0.770 157 G N 3.237 112.112 108.800 0.126 0.000 2.238 157 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 157 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 157 G C -0.023 174.971 174.900 0.157 0.000 0.996 157 G CA -0.320 44.867 45.100 0.145 0.000 0.632 157 G HN 0.519 nan 8.290 nan 0.000 0.503 158 I N 2.212 122.912 120.570 0.216 0.000 2.406 158 I HA 0.449 4.619 4.170 0.000 0.000 0.290 158 I C -0.339 175.837 176.117 0.099 0.000 0.999 158 I CA -0.651 60.722 61.300 0.123 0.000 1.124 158 I CB 2.133 40.173 38.000 0.067 0.000 1.289 158 I HN -0.008 nan 8.210 nan 0.000 0.441 159 T N 6.808 121.394 114.554 0.053 0.000 2.758 159 T HA 0.517 4.867 4.350 0.000 0.000 0.285 159 T C 0.117 174.832 174.700 0.025 0.000 0.981 159 T CA -0.378 61.748 62.100 0.042 0.000 0.965 159 T CB 0.854 69.740 68.868 0.031 0.000 0.927 159 T HN 0.269 nan 8.240 nan 0.000 0.448 160 I N 3.655 124.243 120.570 0.029 0.000 2.496 160 I HA 0.141 4.311 4.170 0.000 0.000 0.285 160 I C 0.654 176.775 176.117 0.006 0.000 1.080 160 I CA -0.131 61.178 61.300 0.014 0.000 1.404 160 I CB 0.755 38.769 38.000 0.023 0.000 1.403 160 I HN 0.749 nan 8.210 nan 0.000 0.539 161 D N 3.639 124.034 120.400 -0.007 0.000 2.469 161 D HA -0.006 4.634 4.640 0.000 0.000 0.213 161 D C 0.300 176.590 176.300 -0.016 0.000 1.135 161 D CA -0.220 53.774 54.000 -0.009 0.000 0.834 161 D CB 0.222 41.014 40.800 -0.014 0.000 1.009 161 D HN 0.381 nan 8.370 nan 0.000 0.507 162 E N -0.106 120.082 120.200 -0.020 0.000 2.660 162 E HA -0.251 4.099 4.350 0.000 0.000 0.260 162 E C 0.162 176.738 176.600 -0.040 0.000 1.122 162 E CA 1.232 57.616 56.400 -0.026 0.000 0.755 162 E CB -1.251 28.440 29.700 -0.015 0.000 1.345 162 E HN 0.594 nan 8.360 nan 0.000 0.421 163 D N -0.859 119.513 120.400 -0.048 0.000 3.234 163 D HA 0.078 4.718 4.640 0.000 0.000 0.281 163 D C 1.666 177.916 176.300 -0.084 0.000 1.405 163 D CA 2.100 56.065 54.000 -0.059 0.000 1.115 163 D CB 0.101 40.873 40.800 -0.047 0.000 1.198 163 D HN 0.211 nan 8.370 nan 0.000 0.388 164 T N -1.741 112.766 114.554 -0.078 0.000 2.955 164 T HA 0.366 4.716 4.350 0.000 0.000 0.251 164 T C 1.041 175.685 174.700 -0.093 0.000 1.002 164 T CA -0.180 61.862 62.100 -0.097 0.000 0.970 164 T CB 0.549 69.366 68.868 -0.084 0.000 1.091 164 T HN 0.056 nan 8.240 nan 0.000 0.495 165 I N 3.914 124.442 120.570 -0.070 0.000 2.388 165 I HA 0.491 4.661 4.170 0.000 0.000 0.281 165 I C -0.305 175.783 176.117 -0.048 0.000 1.046 165 I CA -1.125 60.139 61.300 -0.061 0.000 1.187 165 I CB 1.423 39.395 38.000 -0.045 0.000 1.351 165 I HN 0.165 nan 8.210 nan 0.000 0.472 166 V N 2.677 122.558 119.914 -0.055 0.000 3.019 166 V HA 0.779 4.899 4.120 0.000 0.000 0.317 166 V C 0.192 176.279 176.094 -0.012 0.000 1.094 166 V CA -0.433 61.845 62.300 -0.037 0.000 1.000 166 V CB 1.771 33.560 31.823 -0.056 0.000 1.060 166 V HN 0.654 nan 8.190 nan 0.000 0.443 167 S N 0.886 116.589 115.700 0.006 0.000 2.718 167 S HA 0.398 4.868 4.470 0.000 0.000 0.292 167 S C 1.386 176.007 174.600 0.034 0.000 1.125 167 S CA 0.117 58.333 58.200 0.026 0.000 1.013 167 S CB 0.943 64.161 63.200 0.029 0.000 1.192 167 S HN 1.764 nan 8.310 nan 0.000 0.535 168 S N 0.250 115.979 115.700 0.050 0.000 2.400 168 S HA -0.134 4.336 4.470 0.000 0.000 0.232 168 S C 1.727 176.361 174.600 0.057 0.000 1.025 168 S CA 1.730 59.969 58.200 0.066 0.000 0.993 168 S CB -1.667 61.572 63.200 0.066 0.000 0.808 168 S HN 0.772 nan 8.310 nan 0.000 0.478 169 T N 2.164 116.739 114.554 0.035 0.000 2.674 169 T HA 0.014 4.364 4.350 0.000 0.000 0.265 169 T C 2.101 176.818 174.700 0.028 0.000 1.039 169 T CA 1.528 63.643 62.100 0.025 0.000 1.150 169 T CB -1.173 67.699 68.868 0.008 0.000 0.864 169 T HN 0.631 nan 8.240 nan 0.000 0.427 170 G N 0.971 109.779 108.800 0.014 0.000 2.422 170 G HA2 -0.018 3.942 3.960 0.000 0.000 0.218 170 G HA3 -0.018 3.942 3.960 0.000 0.000 0.218 170 G C 1.818 176.720 174.900 0.004 0.000 1.146 170 G CA 0.850 45.948 45.100 -0.004 0.000 0.769 170 G HN 0.583 nan 8.290 nan 0.000 0.547 171 A N 0.436 123.274 122.820 0.029 0.000 2.019 171 A HA 0.144 4.464 4.320 0.000 0.000 0.219 171 A C 2.255 180.011 177.584 0.286 0.000 1.164 171 A CA 0.914 53.001 52.037 0.084 0.000 0.644 171 A CB -0.294 18.780 19.000 0.123 0.000 0.805 171 A HN 0.362 nan 8.150 nan 0.000 0.449 172 L N -0.574 120.766 121.223 0.195 0.000 2.610 172 L HA 0.034 4.374 4.340 0.000 0.000 0.232 172 L C 0.860 177.844 176.870 0.189 0.000 1.149 172 L CA 0.599 55.555 54.840 0.193 0.000 0.872 172 L CB 0.189 42.304 42.059 0.092 0.000 0.992 172 L HN 0.238 nan 8.230 nan 0.000 0.447 173 S N -0.556 115.244 115.700 0.166 0.000 3.021 173 S HA 0.315 4.785 4.470 0.000 0.000 0.252 173 S C 0.317 174.967 174.600 0.085 0.000 0.996 173 S CA -0.529 57.743 58.200 0.121 0.000 1.084 173 S CB 0.339 63.571 63.200 0.053 0.000 1.021 173 S HN 0.077 nan 8.310 nan 0.000 0.566 174 L N 1.959 123.221 121.223 0.065 0.000 2.543 174 L HA 0.089 4.429 4.340 0.000 0.000 0.285 174 L C 1.494 178.339 176.870 -0.042 0.000 1.236 174 L CA -0.123 54.623 54.840 -0.156 0.000 0.871 174 L CB 0.379 42.036 42.059 -0.669 0.000 1.121 174 L HN 0.074 nan 8.230 nan 0.000 0.501 175 K N 1.621 121.973 120.400 -0.078 0.000 2.228 175 K HA 0.115 4.435 4.320 0.000 0.000 0.202 175 K C 0.250 176.837 176.600 -0.022 0.000 1.051 175 K CA 1.033 57.301 56.287 -0.031 0.000 0.960 175 K CB 0.066 32.540 32.500 -0.043 0.000 0.743 175 K HN 0.438 nan 8.250 nan 0.000 0.458 176 K N 0.020 120.376 120.400 -0.073 0.000 2.533 176 K HA 0.301 4.621 4.320 0.000 0.000 0.272 176 K C -0.900 175.641 176.600 -0.098 0.000 0.985 176 K CA -0.844 55.415 56.287 -0.047 0.000 0.876 176 K CB 2.516 34.978 32.500 -0.062 0.000 1.452 176 K HN -0.337 nan 8.250 nan 0.000 0.439 177 V N 4.319 124.235 119.914 0.003 0.000 2.446 177 V HA 0.104 4.224 4.120 0.000 0.000 0.276 177 V C -1.740 174.286 176.094 -0.113 0.000 1.030 177 V CA -1.048 61.268 62.300 0.026 0.000 1.033 177 V CB 0.260 32.150 31.823 0.111 0.000 0.993 177 V HN 0.576 nan 8.190 nan 0.000 0.477 178 P HA 0.093 nan 4.420 nan 0.000 0.271 178 P C 0.609 177.836 177.300 -0.121 0.000 1.216 178 P CA -0.116 62.860 63.100 -0.207 0.000 0.776 178 P CB 1.294 32.815 31.700 -0.299 0.000 0.881 179 E N 2.566 122.707 120.200 -0.097 0.000 2.047 179 E HA -0.144 4.206 4.350 0.000 0.000 0.191 179 E C 0.331 176.886 176.600 -0.075 0.000 0.987 179 E CA 1.048 57.407 56.400 -0.069 0.000 0.799 179 E CB 0.204 29.869 29.700 -0.058 0.000 0.752 179 E HN 0.372 nan 8.360 nan 0.000 0.449 180 K N 0.158 120.503 120.400 -0.091 0.000 2.468 180 K HA 0.363 4.683 4.320 0.000 0.000 0.252 180 K C -1.481 175.049 176.600 -0.117 0.000 0.932 180 K CA -0.642 55.589 56.287 -0.094 0.000 0.794 180 K CB 1.680 34.135 32.500 -0.076 0.000 1.241 180 K HN 0.043 nan 8.250 nan 0.000 0.428 181 M N 4.450 123.975 119.600 -0.126 0.000 2.393 181 M HA 0.419 4.899 4.480 0.000 0.000 0.299 181 M C -1.811 174.418 176.300 -0.118 0.000 1.103 181 M CA -0.860 54.356 55.300 -0.140 0.000 0.910 181 M CB 2.032 34.530 32.600 -0.170 0.000 1.659 181 M HN 0.389 nan 8.290 nan 0.000 0.445 182 V N 4.736 124.589 119.914 -0.101 0.000 2.459 182 V HA 0.582 4.702 4.120 0.000 0.000 0.295 182 V C -0.763 175.297 176.094 -0.057 0.000 1.029 182 V CA -0.658 61.597 62.300 -0.075 0.000 0.874 182 V CB 1.928 33.708 31.823 -0.072 0.000 0.985 182 V HN 0.693 nan 8.190 nan 0.000 0.438 183 V N 6.268 126.173 119.914 -0.016 0.000 2.448 183 V HA 0.503 4.623 4.120 0.000 0.000 0.295 183 V C -0.206 175.914 176.094 0.043 0.000 1.025 183 V CA -0.458 61.858 62.300 0.027 0.000 0.859 183 V CB 1.866 33.748 31.823 0.098 0.000 0.988 183 V HN 0.669 nan 8.190 nan 0.000 0.431 184 I N 4.445 125.028 120.570 0.023 0.000 2.307 184 I HA 0.696 4.866 4.170 0.000 0.000 0.289 184 I C 0.644 176.821 176.117 0.100 0.000 1.021 184 I CA -0.017 61.304 61.300 0.034 0.000 1.224 184 I CB 1.301 39.257 38.000 -0.073 0.000 1.376 184 I HN 0.884 nan 8.210 nan 0.000 0.470 185 G N 4.570 113.449 108.800 0.132 0.000 3.435 185 G HA2 0.098 4.058 3.960 0.000 0.000 0.683 185 G HA3 0.098 4.058 3.960 0.000 0.000 0.683 185 G C -0.298 174.697 174.900 0.158 0.000 1.189 185 G CA -0.377 44.808 45.100 0.142 0.000 1.069 185 G HN 0.888 nan 8.290 nan 0.000 0.508 186 A N 1.813 124.723 122.820 0.150 0.000 2.988 186 A HA 0.756 5.076 4.320 0.000 0.000 0.288 186 A C 1.449 179.110 177.584 0.128 0.000 1.385 186 A CA 1.123 53.268 52.037 0.180 0.000 1.001 186 A CB -0.276 18.841 19.000 0.196 0.000 1.071 186 A HN 1.984 nan 8.150 nan 0.000 0.608 187 G N -0.957 107.930 108.800 0.144 0.000 2.531 187 G HA2 0.343 4.303 3.960 0.000 0.000 0.253 187 G HA3 0.343 4.303 3.960 0.000 0.000 0.253 187 G C 1.080 176.104 174.900 0.206 0.000 1.439 187 G CA 0.334 45.527 45.100 0.155 0.000 1.056 187 G HN 0.166 nan 8.290 nan 0.000 0.555 188 V N 0.070 120.111 119.914 0.212 0.000 2.307 188 V HA -0.125 3.995 4.120 0.000 0.000 0.245 188 V C 2.819 179.046 176.094 0.221 0.000 1.045 188 V CA 1.449 63.889 62.300 0.233 0.000 1.024 188 V CB -0.700 31.245 31.823 0.204 0.000 0.651 188 V HN 0.528 nan 8.190 nan 0.000 0.449 189 I N 0.795 121.474 120.570 0.183 0.000 2.226 189 I HA -0.166 4.004 4.170 0.000 0.000 0.245 189 I C 2.610 178.851 176.117 0.206 0.000 1.100 189 I CA 1.678 63.081 61.300 0.172 0.000 1.374 189 I CB -0.899 37.183 38.000 0.135 0.000 1.057 189 I HN 0.413 nan 8.210 nan 0.000 0.413 190 G N 0.951 109.880 108.800 0.215 0.000 2.459 190 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 190 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 190 G C 1.746 176.875 174.900 0.381 0.000 1.183 190 G CA 1.526 46.785 45.100 0.265 0.000 0.776 190 G HN 0.386 nan 8.290 nan 0.000 0.552 191 V N -1.321 118.804 119.914 0.353 0.000 2.407 191 V HA -0.093 4.027 4.120 0.000 0.000 0.248 191 V C 2.280 178.641 176.094 0.445 0.000 1.055 191 V CA 2.436 64.978 62.300 0.404 0.000 1.049 191 V CB -0.744 31.248 31.823 0.281 0.000 0.662 191 V HN 0.444 nan 8.190 nan 0.000 0.455 192 E N 0.694 121.094 120.200 0.334 0.000 2.015 192 E HA -0.080 4.270 4.350 0.000 0.000 0.191 192 E C 2.292 179.015 176.600 0.205 0.000 0.991 192 E CA 1.777 58.338 56.400 0.268 0.000 0.802 192 E CB -0.258 29.577 29.700 0.226 0.000 0.759 192 E HN 0.586 nan 8.360 nan 0.000 0.447 193 L N 0.252 121.593 121.223 0.195 0.000 2.141 193 L HA -0.049 4.291 4.340 0.000 0.000 0.209 193 L C 2.572 179.551 176.870 0.182 0.000 1.094 193 L CA 0.951 55.894 54.840 0.171 0.000 0.763 193 L CB -0.749 41.442 42.059 0.220 0.000 0.908 193 L HN 0.252 nan 8.230 nan 0.000 0.437 194 G N -0.679 108.233 108.800 0.187 0.000 2.440 194 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 194 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 194 G C 1.824 176.566 174.900 -0.263 0.000 1.154 194 G CA 1.109 46.161 45.100 -0.080 0.000 0.767 194 G HN 0.337 nan 8.290 nan 0.000 0.552 195 S N -0.582 115.149 115.700 0.052 0.000 2.383 195 S HA -0.084 4.386 4.470 0.000 0.000 0.227 195 S C 2.529 177.100 174.600 -0.049 0.000 1.026 195 S CA 1.331 59.568 58.200 0.062 0.000 0.981 195 S CB -0.268 63.098 63.200 0.277 0.000 0.818 195 S HN 0.133 nan 8.310 nan 0.000 0.472 196 V N 0.150 120.010 119.914 -0.091 0.000 2.255 196 V HA -0.200 3.920 4.120 0.000 0.000 0.247 196 V C 1.975 177.812 176.094 -0.428 0.000 1.051 196 V CA 2.074 64.196 62.300 -0.295 0.000 1.018 196 V CB -0.819 30.731 31.823 -0.454 0.000 0.641 196 V HN 0.677 nan 8.190 nan 0.000 0.445 197 W N -0.696 120.535 121.300 -0.116 0.000 2.436 197 W HA -0.094 4.566 4.660 0.000 0.000 0.284 197 W C 2.634 179.046 176.519 -0.178 0.000 1.225 197 W CA 0.959 58.216 57.345 -0.146 0.000 1.271 197 W CB -0.307 29.065 29.460 -0.146 0.000 1.114 197 W HN 0.164 nan 8.180 nan 0.000 0.559 198 Q N 1.439 121.199 119.800 -0.066 0.000 2.061 198 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 198 Q C 2.017 177.950 176.000 -0.111 0.000 0.984 198 Q CA 1.742 57.457 55.803 -0.147 0.000 0.846 198 Q CB -0.340 28.228 28.738 -0.284 0.000 0.902 198 Q HN 0.323 nan 8.270 nan 0.000 0.421 199 R N -0.135 120.290 120.500 -0.124 0.000 2.105 199 R HA -0.057 4.283 4.340 0.000 0.000 0.239 199 R C 2.373 178.654 176.300 -0.032 0.000 1.135 199 R CA 1.188 57.219 56.100 -0.116 0.000 0.967 199 R CB -0.247 30.003 30.300 -0.083 0.000 0.861 199 R HN 0.283 nan 8.270 nan 0.000 0.442 200 L N -0.792 120.366 121.223 -0.108 0.000 2.610 200 L HA 0.130 4.470 4.340 0.000 0.000 0.232 200 L C 1.215 178.035 176.870 -0.083 0.000 1.149 200 L CA 0.632 55.355 54.840 -0.195 0.000 0.872 200 L CB 0.185 42.087 42.059 -0.260 0.000 0.992 200 L HN 0.542 nan 8.230 nan 0.000 0.447 201 G N -0.756 108.029 108.800 -0.025 0.000 2.260 201 G HA2 -0.141 3.819 3.960 0.000 0.000 0.179 201 G HA3 -0.141 3.819 3.960 0.000 0.000 0.179 201 G C 0.332 175.226 174.900 -0.011 0.000 1.002 201 G CA -0.201 44.891 45.100 -0.014 0.000 0.677 201 G HN 0.386 nan 8.290 nan 0.000 0.486 202 A N 0.301 123.125 122.820 0.005 0.000 2.386 202 A HA 0.538 4.858 4.320 0.000 0.000 0.248 202 A C 0.037 177.578 177.584 -0.072 0.000 1.082 202 A CA 0.484 52.507 52.037 -0.024 0.000 0.789 202 A CB 0.516 19.519 19.000 0.006 0.000 1.025 202 A HN 0.315 nan 8.150 nan 0.000 0.490 203 D N 1.733 122.083 120.400 -0.083 0.000 2.396 203 D HA 0.407 5.047 4.640 0.000 0.000 0.225 203 D C -0.884 175.336 176.300 -0.134 0.000 1.121 203 D CA 0.037 53.980 54.000 -0.095 0.000 0.853 203 D CB 0.703 41.461 40.800 -0.069 0.000 1.043 203 D HN 0.113 nan 8.370 nan 0.000 0.500 204 V N 3.484 123.277 119.914 -0.202 0.000 2.483 204 V HA 0.521 4.641 4.120 0.000 0.000 0.295 204 V C 0.385 176.333 176.094 -0.244 0.000 1.035 204 V CA -0.566 61.563 62.300 -0.285 0.000 0.896 204 V CB 1.942 33.434 31.823 -0.551 0.000 0.986 204 V HN 0.538 nan 8.190 nan 0.000 0.447 205 T N 3.629 118.087 114.554 -0.160 0.000 2.928 205 T HA 0.696 5.046 4.350 0.000 0.000 0.296 205 T C -0.287 174.396 174.700 -0.028 0.000 1.000 205 T CA -0.317 61.728 62.100 -0.091 0.000 0.989 205 T CB 1.642 70.473 68.868 -0.061 0.000 1.005 205 T HN 0.947 nan 8.240 nan 0.000 0.442 206 A N 2.916 125.742 122.820 0.008 0.000 2.304 206 A HA 0.791 5.111 4.320 0.000 0.000 0.323 206 A C -0.357 177.297 177.584 0.117 0.000 1.195 206 A CA -0.605 51.496 52.037 0.107 0.000 0.826 206 A CB 0.758 19.899 19.000 0.234 0.000 1.184 206 A HN 0.678 nan 8.150 nan 0.000 0.496 207 V N 2.341 122.317 119.914 0.104 0.000 2.398 207 V HA 0.516 4.636 4.120 0.000 0.000 0.286 207 V C -0.245 175.930 176.094 0.134 0.000 1.026 207 V CA -0.347 62.015 62.300 0.102 0.000 0.868 207 V CB 1.285 33.144 31.823 0.059 0.000 0.982 207 V HN 0.990 nan 8.190 nan 0.000 0.443 208 E N 2.848 123.130 120.200 0.137 0.000 2.234 208 E HA 0.374 4.724 4.350 0.000 0.000 0.266 208 E C -0.061 176.624 176.600 0.142 0.000 0.877 208 E CA -0.638 55.844 56.400 0.137 0.000 0.758 208 E CB 1.501 31.251 29.700 0.085 0.000 1.170 208 E HN 0.403 nan 8.360 nan 0.000 0.415 209 F N 4.089 124.062 119.950 0.038 0.000 2.146 209 F HA 0.133 4.660 4.527 0.000 0.000 0.298 209 F C 0.458 176.262 175.800 0.007 0.000 1.096 209 F CA 1.013 59.034 58.000 0.035 0.000 1.275 209 F CB 0.225 39.254 39.000 0.048 0.000 1.008 209 F HN 0.432 nan 8.300 nan 0.000 0.480 210 L N -0.949 120.362 121.223 0.147 0.000 2.482 210 L HA 0.249 4.589 4.340 0.000 0.000 0.242 210 L C 1.622 178.461 176.870 -0.053 0.000 1.210 210 L CA 0.115 54.973 54.840 0.030 0.000 0.819 210 L CB -0.146 41.901 42.059 -0.021 0.000 1.203 210 L HN 0.039 nan 8.230 nan 0.000 0.495 211 G N -1.142 107.656 108.800 -0.004 0.000 3.448 211 G HA2 0.143 4.103 3.960 0.000 0.000 0.261 211 G HA3 0.143 4.103 3.960 0.000 0.000 0.261 211 G C 0.056 174.980 174.900 0.041 0.000 1.173 211 G CA 0.028 45.130 45.100 0.003 0.000 0.835 211 G HN 0.738 nan 8.290 nan 0.000 0.534 212 H N -2.170 116.867 119.070 -0.055 0.000 3.037 212 H HA 0.550 5.106 4.556 0.000 0.000 0.355 212 H C -1.251 174.017 175.328 -0.099 0.000 1.263 212 H CA -0.818 55.172 56.048 -0.097 0.000 1.129 212 H CB 1.335 31.048 29.762 -0.082 0.000 1.861 212 H HN 0.140 nan 8.280 nan 0.000 0.546 213 V N -1.404 118.431 119.914 -0.131 0.000 2.834 213 V HA 0.747 4.867 4.120 0.000 0.000 0.313 213 V C 1.055 177.216 176.094 0.112 0.000 1.060 213 V CA 0.306 62.512 62.300 -0.157 0.000 0.989 213 V CB 0.783 32.337 31.823 -0.448 0.000 1.041 213 V HN 1.455 nan 8.190 nan 0.000 0.459 214 G N 0.344 109.241 108.800 0.162 0.000 2.179 214 G HA2 0.290 4.250 3.960 0.000 0.000 0.220 214 G HA3 0.290 4.250 3.960 0.000 0.000 0.220 214 G C 1.531 176.603 174.900 0.287 0.000 0.990 214 G CA 0.343 45.620 45.100 0.294 0.000 0.646 214 G HN 2.989 nan 8.290 nan 0.000 0.517 215 G N -1.662 107.262 108.800 0.207 0.000 2.693 215 G HA2 0.129 4.089 3.960 0.000 0.000 0.226 215 G HA3 0.129 4.089 3.960 0.000 0.000 0.226 215 G C 0.199 175.287 174.900 0.313 0.000 1.354 215 G CA 0.119 45.352 45.100 0.221 0.000 0.873 215 G HN 1.529 nan 8.290 nan 0.000 0.562 216 V N 1.468 121.532 119.914 0.250 0.000 2.673 216 V HA 0.406 4.526 4.120 0.000 0.000 0.303 216 V C 2.019 178.254 176.094 0.235 0.000 1.046 216 V CA 2.186 64.615 62.300 0.215 0.000 1.126 216 V CB 0.312 32.232 31.823 0.161 0.000 0.934 216 V HN 2.840 nan 8.190 nan 0.000 0.487 217 G N 4.169 113.044 108.800 0.123 0.000 2.225 217 G HA2 -0.270 3.690 3.960 0.000 0.000 0.254 217 G HA3 -0.270 3.690 3.960 0.000 0.000 0.254 217 G C 0.282 175.041 174.900 -0.234 0.000 0.988 217 G CA 0.254 45.415 45.100 0.102 0.000 0.625 217 G HN 0.733 nan 8.290 nan 0.000 0.527 218 I N 1.803 122.102 120.570 -0.452 0.000 2.754 218 I HA 0.362 4.532 4.170 0.000 0.000 0.285 218 I C 0.599 176.279 176.117 -0.728 0.000 1.166 218 I CA -0.089 60.546 61.300 -1.109 0.000 1.417 218 I CB 0.574 38.109 38.000 -0.775 0.000 1.382 218 I HN 0.272 nan 8.210 nan 0.000 0.588 219 D N 6.054 125.990 120.400 -0.772 0.000 2.389 219 D HA 0.028 4.668 4.640 0.000 0.000 0.247 219 D C 1.057 177.092 176.300 -0.443 0.000 1.128 219 D CA -0.318 53.314 54.000 -0.613 0.000 0.884 219 D CB 0.971 41.232 40.800 -0.898 0.000 1.194 219 D HN 0.419 nan 8.370 nan 0.000 0.441 220 M N 2.454 121.838 119.600 -0.360 0.000 2.080 220 M HA -0.147 4.333 4.480 0.000 0.000 0.260 220 M C 1.843 178.030 176.300 -0.188 0.000 1.068 220 M CA 1.592 56.729 55.300 -0.271 0.000 1.109 220 M CB -1.148 31.319 32.600 -0.221 0.000 1.342 220 M HN 0.740 nan 8.290 nan 0.000 0.405 221 E N 0.320 120.415 120.200 -0.175 0.000 2.077 221 E HA -0.197 4.153 4.350 0.000 0.000 0.193 221 E C 1.964 178.506 176.600 -0.097 0.000 0.989 221 E CA 1.115 57.447 56.400 -0.114 0.000 0.800 221 E CB 0.112 29.753 29.700 -0.098 0.000 0.746 221 E HN 0.294 nan 8.360 nan 0.000 0.452 222 I N 1.133 121.618 120.570 -0.142 0.000 2.163 222 I HA -0.245 3.925 4.170 0.000 0.000 0.243 222 I C 2.675 178.768 176.117 -0.040 0.000 1.085 222 I CA 1.322 62.564 61.300 -0.096 0.000 1.347 222 I CB -1.476 36.430 38.000 -0.158 0.000 1.044 222 I HN 0.218 nan 8.210 nan 0.000 0.408 223 S N 0.497 116.143 115.700 -0.089 0.000 2.370 223 S HA -0.196 4.274 4.470 0.000 0.000 0.226 223 S C 2.048 176.661 174.600 0.021 0.000 1.033 223 S CA 1.325 59.532 58.200 0.010 0.000 1.011 223 S CB -0.014 63.154 63.200 -0.053 0.000 0.852 223 S HN 0.283 nan 8.310 nan 0.000 0.457 224 K N 1.020 121.401 120.400 -0.032 0.000 2.057 224 K HA 0.027 4.347 4.320 0.000 0.000 0.206 224 K C 1.922 178.512 176.600 -0.016 0.000 1.050 224 K CA 1.236 57.497 56.287 -0.044 0.000 0.935 224 K CB -0.759 31.713 32.500 -0.047 0.000 0.715 224 K HN 0.358 nan 8.250 nan 0.000 0.439 225 N N 0.727 119.438 118.700 0.018 0.000 2.166 225 N HA -0.139 4.601 4.740 0.000 0.000 0.186 225 N C 1.512 177.093 175.510 0.118 0.000 1.019 225 N CA 0.714 53.794 53.050 0.050 0.000 0.856 225 N CB -0.404 38.112 38.487 0.049 0.000 0.993 225 N HN 0.082 nan 8.380 nan 0.000 0.426 226 F N 1.933 121.852 119.950 -0.053 0.000 2.102 226 F HA -0.107 4.421 4.527 0.000 0.000 0.298 226 F C 2.426 178.177 175.800 -0.080 0.000 1.105 226 F CA 1.435 59.408 58.000 -0.045 0.000 1.239 226 F CB -0.747 38.224 39.000 -0.049 0.000 0.991 226 F HN 0.109 nan 8.300 nan 0.000 0.474 227 Q N 0.341 120.007 119.800 -0.223 0.000 2.084 227 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 227 Q C 2.394 178.268 176.000 -0.210 0.000 0.978 227 Q CA 1.790 57.309 55.803 -0.474 0.000 0.844 227 Q CB -0.189 28.247 28.738 -0.504 0.000 0.898 227 Q HN 0.422 nan 8.270 nan 0.000 0.426 228 R N -0.050 120.399 120.500 -0.085 0.000 2.091 228 R HA -0.120 4.220 4.340 0.000 0.000 0.238 228 R C 2.347 178.664 176.300 0.028 0.000 1.136 228 R CA 1.569 57.663 56.100 -0.010 0.000 0.959 228 R CB -0.368 29.938 30.300 0.009 0.000 0.856 228 R HN 0.371 nan 8.270 nan 0.000 0.437 229 I N 0.862 121.457 120.570 0.041 0.000 2.315 229 I HA -0.241 3.929 4.170 0.000 0.000 0.248 229 I C 2.201 178.369 176.117 0.084 0.000 1.117 229 I CA 1.077 62.427 61.300 0.082 0.000 1.404 229 I CB -0.149 37.929 38.000 0.130 0.000 1.071 229 I HN 0.124 nan 8.210 nan 0.000 0.419 230 L N -0.092 121.138 121.223 0.012 0.000 2.141 230 L HA -0.200 4.140 4.340 0.000 0.000 0.209 230 L C 2.547 179.528 176.870 0.185 0.000 1.094 230 L CA 1.226 56.106 54.840 0.067 0.000 0.763 230 L CB -0.495 41.489 42.059 -0.125 0.000 0.908 230 L HN 0.314 nan 8.230 nan 0.000 0.437 231 Q N 0.076 119.976 119.800 0.168 0.000 2.079 231 Q HA -0.198 4.142 4.340 0.000 0.000 0.200 231 Q C 2.117 178.193 176.000 0.127 0.000 0.974 231 Q CA 1.308 57.218 55.803 0.178 0.000 0.840 231 Q CB 0.011 28.843 28.738 0.156 0.000 0.898 231 Q HN 0.424 nan 8.270 nan 0.000 0.430 232 K N 0.494 120.958 120.400 0.107 0.000 2.280 232 K HA -0.163 4.157 4.320 0.000 0.000 0.202 232 K C 1.885 178.548 176.600 0.105 0.000 1.047 232 K CA 0.955 57.299 56.287 0.096 0.000 0.942 232 K CB 0.041 32.595 32.500 0.090 0.000 0.739 232 K HN 0.271 nan 8.250 nan 0.000 0.457 233 Q N -0.908 118.968 119.800 0.126 0.000 2.378 233 Q HA -0.012 4.328 4.340 0.000 0.000 0.205 233 Q C 1.069 177.116 176.000 0.078 0.000 0.954 233 Q CA 0.850 56.724 55.803 0.118 0.000 0.901 233 Q CB 0.577 29.407 28.738 0.152 0.000 0.981 233 Q HN 0.559 nan 8.270 nan 0.000 0.483 234 G N -0.005 108.851 108.800 0.094 0.000 2.229 234 G HA2 -0.229 3.731 3.960 0.000 0.000 0.189 234 G HA3 -0.229 3.731 3.960 0.000 0.000 0.189 234 G C -0.316 174.619 174.900 0.057 0.000 1.000 234 G CA -0.589 44.541 45.100 0.051 0.000 0.663 234 G HN 0.257 nan 8.290 nan 0.000 0.493 235 F N 3.405 123.306 119.950 -0.083 0.000 2.506 235 F HA 0.602 5.129 4.527 0.000 0.000 0.371 235 F C 0.729 176.328 175.800 -0.334 0.000 1.078 235 F CA -0.589 57.278 58.000 -0.222 0.000 1.195 235 F CB 0.546 39.435 39.000 -0.185 0.000 1.099 235 F HN 0.031 nan 8.300 nan 0.000 0.548 236 K N 5.642 126.040 120.400 -0.004 0.000 2.156 236 K HA 0.580 4.900 4.320 0.000 0.000 0.254 236 K C -1.445 174.898 176.600 -0.427 0.000 0.950 236 K CA -0.576 55.638 56.287 -0.123 0.000 0.849 236 K CB 1.649 34.124 32.500 -0.041 0.000 1.100 236 K HN 0.361 nan 8.250 nan 0.000 0.434 237 F N 0.904 120.890 119.950 0.059 0.000 2.576 237 F HA 0.395 4.922 4.527 0.000 0.000 0.313 237 F C -0.012 175.792 175.800 0.007 0.000 1.078 237 F CA -1.003 57.004 58.000 0.011 0.000 0.921 237 F CB 1.754 40.709 39.000 -0.075 0.000 1.232 237 F HN 0.031 nan 8.300 nan 0.000 0.459 238 K N 4.625 125.138 120.400 0.188 0.000 2.579 238 K HA 0.442 4.762 4.320 0.000 0.000 0.225 238 K C -0.885 175.771 176.600 0.094 0.000 0.992 238 K CA -0.159 56.191 56.287 0.104 0.000 1.018 238 K CB 1.359 33.897 32.500 0.064 0.000 1.249 238 K HN 0.572 nan 8.250 nan 0.000 0.489 239 L N 1.169 122.432 121.223 0.067 0.000 2.454 239 L HA 0.282 4.622 4.340 0.000 0.000 0.256 239 L C 0.690 177.543 176.870 -0.029 0.000 1.136 239 L CA -0.710 54.140 54.840 0.017 0.000 0.804 239 L CB 0.235 42.284 42.059 -0.016 0.000 1.181 239 L HN 0.600 nan 8.230 nan 0.000 0.469 240 N N 0.288 118.939 118.700 -0.081 0.000 2.714 240 N HA -0.149 4.591 4.740 0.000 0.000 0.253 240 N C -0.766 174.640 175.510 -0.173 0.000 1.024 240 N CA 0.853 53.801 53.050 -0.170 0.000 0.726 240 N CB -1.160 37.255 38.487 -0.120 0.000 0.908 240 N HN 0.719 nan 8.380 nan 0.000 0.542 241 T N 0.001 114.472 114.554 -0.139 0.000 2.993 241 T HA 0.426 4.776 4.350 0.000 0.000 0.312 241 T C -0.042 174.698 174.700 0.067 0.000 1.115 241 T CA -0.991 61.080 62.100 -0.048 0.000 1.027 241 T CB 2.453 71.329 68.868 0.014 0.000 1.116 241 T HN 0.275 nan 8.240 nan 0.000 0.464 242 K N 0.696 121.175 120.400 0.132 0.000 2.208 242 K HA 0.821 5.141 4.320 0.000 0.000 0.247 242 K C -1.012 175.719 176.600 0.218 0.000 0.953 242 K CA -0.959 55.519 56.287 0.319 0.000 0.837 242 K CB 1.630 34.394 32.500 0.439 0.000 1.131 242 K HN 0.243 nan 8.250 nan 0.000 0.431 243 V N 2.620 122.690 119.914 0.260 0.000 2.385 243 V HA 0.058 4.178 4.120 0.000 0.000 0.269 243 V C 1.044 177.285 176.094 0.246 0.000 1.043 243 V CA -0.282 62.099 62.300 0.136 0.000 0.906 243 V CB 0.989 32.740 31.823 -0.120 0.000 0.995 243 V HN 1.087 nan 8.190 nan 0.000 0.467 244 T N 0.973 115.616 114.554 0.148 0.000 3.129 244 T HA 0.495 4.845 4.350 0.000 0.000 0.251 244 T C 0.682 175.465 174.700 0.139 0.000 1.117 244 T CA 0.344 62.536 62.100 0.153 0.000 1.034 244 T CB 0.045 68.972 68.868 0.098 0.000 0.968 244 T HN 1.311 nan 8.240 nan 0.000 0.526 245 G N -0.255 108.605 108.800 0.100 0.000 2.347 245 G HA2 0.521 4.481 3.960 0.000 0.000 0.321 245 G HA3 0.521 4.481 3.960 0.000 0.000 0.321 245 G C -1.576 173.308 174.900 -0.027 0.000 1.412 245 G CA -0.508 44.630 45.100 0.063 0.000 0.990 245 G HN 0.900 nan 8.290 nan 0.000 0.637 246 A N -0.623 122.178 122.820 -0.031 0.000 2.549 246 A HA 1.075 5.395 4.320 0.000 0.000 0.297 246 A C -0.146 177.422 177.584 -0.027 0.000 1.061 246 A CA 0.291 52.296 52.037 -0.054 0.000 0.690 246 A CB 2.032 20.970 19.000 -0.104 0.000 1.287 246 A HN 2.424 nan 8.150 nan 0.000 0.402 247 T N -0.811 113.726 114.554 -0.029 0.000 2.991 247 T HA 0.620 4.970 4.350 0.000 0.000 0.303 247 T C -0.810 173.874 174.700 -0.027 0.000 1.015 247 T CA -0.743 61.345 62.100 -0.020 0.000 1.007 247 T CB 1.408 70.269 68.868 -0.012 0.000 1.034 247 T HN 0.662 nan 8.240 nan 0.000 0.446 248 K N 2.753 123.138 120.400 -0.025 0.000 2.276 248 K HA 0.432 4.752 4.320 0.000 0.000 0.283 248 K C -0.262 176.324 176.600 -0.024 0.000 1.044 248 K CA -0.265 56.004 56.287 -0.029 0.000 0.944 248 K CB 0.530 33.013 32.500 -0.028 0.000 1.012 248 K HN 0.657 nan 8.250 nan 0.000 0.472 249 K N 1.561 121.945 120.400 -0.026 0.000 2.139 249 K HA 0.168 4.488 4.320 0.000 0.000 0.243 249 K C 0.953 177.540 176.600 -0.021 0.000 0.983 249 K CA -0.281 55.993 56.287 -0.022 0.000 0.890 249 K CB 1.343 33.829 32.500 -0.022 0.000 1.090 249 K HN 0.736 nan 8.250 nan 0.000 0.445 250 S N -0.382 115.307 115.700 -0.018 0.000 2.465 250 S HA -0.199 4.271 4.470 0.000 0.000 0.241 250 S C 1.277 175.865 174.600 -0.020 0.000 1.000 250 S CA 1.504 59.694 58.200 -0.017 0.000 0.964 250 S CB -0.206 62.986 63.200 -0.014 0.000 0.763 250 S HN 0.576 nan 8.310 nan 0.000 0.512 251 D N 1.627 122.014 120.400 -0.022 0.000 2.117 251 D HA 0.102 4.742 4.640 0.000 0.000 0.198 251 D C 1.790 178.072 176.300 -0.029 0.000 0.982 251 D CA 1.747 55.733 54.000 -0.024 0.000 0.828 251 D CB -0.568 40.217 40.800 -0.026 0.000 0.967 251 D HN 0.612 nan 8.370 nan 0.000 0.464 252 G N -0.829 107.952 108.800 -0.032 0.000 2.259 252 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 252 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 252 G C 0.399 175.272 174.900 -0.045 0.000 1.001 252 G CA 0.096 45.173 45.100 -0.039 0.000 0.627 252 G HN 0.192 nan 8.290 nan 0.000 0.501 253 K N 0.646 121.021 120.400 -0.042 0.000 2.276 253 K HA 0.595 4.915 4.320 0.000 0.000 0.259 253 K C 0.462 177.034 176.600 -0.046 0.000 1.001 253 K CA -0.005 56.255 56.287 -0.046 0.000 0.927 253 K CB 0.730 33.206 32.500 -0.040 0.000 0.969 253 K HN 0.437 nan 8.250 nan 0.000 0.490 254 I N 1.509 122.048 120.570 -0.053 0.000 2.465 254 I HA 0.134 4.304 4.170 0.000 0.000 0.291 254 I C -0.525 175.562 176.117 -0.050 0.000 1.014 254 I CA -0.852 60.416 61.300 -0.053 0.000 1.093 254 I CB 1.976 39.937 38.000 -0.066 0.000 1.267 254 I HN 0.271 nan 8.210 nan 0.000 0.431 255 D N 5.376 125.750 120.400 -0.043 0.000 2.280 255 D HA 0.394 5.034 4.640 0.000 0.000 0.236 255 D C -0.700 175.574 176.300 -0.044 0.000 1.082 255 D CA -0.041 53.936 54.000 -0.038 0.000 0.834 255 D CB 2.261 43.045 40.800 -0.026 0.000 1.100 255 D HN 0.030 nan 8.370 nan 0.000 0.486 256 V N 2.817 122.702 119.914 -0.048 0.000 2.334 256 V HA 0.321 4.441 4.120 0.000 0.000 0.281 256 V C 0.163 176.236 176.094 -0.036 0.000 1.016 256 V CA -0.795 61.470 62.300 -0.059 0.000 0.832 256 V CB 1.225 33.001 31.823 -0.078 0.000 0.999 256 V HN 0.617 nan 8.190 nan 0.000 0.439 257 S N 6.548 122.234 115.700 -0.023 0.000 2.525 257 S HA 0.861 5.331 4.470 0.000 0.000 0.278 257 S C -0.410 174.198 174.600 0.013 0.000 1.234 257 S CA -0.592 57.607 58.200 -0.001 0.000 1.058 257 S CB 1.427 64.634 63.200 0.011 0.000 0.983 257 S HN 0.747 nan 8.310 nan 0.000 0.495 258 I N -1.449 119.133 120.570 0.020 0.000 3.145 258 I HA 0.834 5.004 4.170 0.000 0.000 0.313 258 I C -0.766 175.374 176.117 0.038 0.000 1.122 258 I CA -1.094 60.228 61.300 0.037 0.000 0.987 258 I CB 2.234 40.251 38.000 0.028 0.000 1.236 258 I HN 0.704 nan 8.210 nan 0.000 0.453 259 E N 1.106 121.334 120.200 0.046 0.000 2.430 259 E HA 0.675 5.025 4.350 0.000 0.000 0.279 259 E C -1.265 175.345 176.600 0.015 0.000 1.003 259 E CA -1.102 55.318 56.400 0.033 0.000 0.801 259 E CB 2.456 32.184 29.700 0.047 0.000 1.313 259 E HN 0.929 nan 8.360 nan 0.000 0.459 260 A N 1.153 123.971 122.820 -0.005 0.000 2.498 260 A HA 0.406 4.726 4.320 0.000 0.000 0.239 260 A C 1.065 178.609 177.584 -0.066 0.000 1.068 260 A CA 0.823 52.838 52.037 -0.037 0.000 0.766 260 A CB 0.464 19.444 19.000 -0.033 0.000 1.003 260 A HN 0.740 nan 8.150 nan 0.000 0.497 261 A N 1.998 124.719 122.820 -0.164 0.000 1.986 261 A HA -0.097 4.223 4.320 0.000 0.000 0.220 261 A C 2.006 179.487 177.584 -0.172 0.000 1.171 261 A CA 2.235 54.082 52.037 -0.317 0.000 0.640 261 A CB -0.740 17.823 19.000 -0.729 0.000 0.811 261 A HN 1.739 nan 8.150 nan 0.000 0.451 262 S N -1.212 114.418 115.700 -0.117 0.000 2.679 262 S HA 0.466 4.936 4.470 0.000 0.000 0.233 262 S C 0.760 175.349 174.600 -0.018 0.000 0.951 262 S CA 0.442 58.610 58.200 -0.054 0.000 0.973 262 S CB -0.997 62.172 63.200 -0.052 0.000 0.778 262 S HN 2.038 nan 8.310 nan 0.000 0.477 263 G N -0.609 108.186 108.800 -0.008 0.000 2.777 263 G HA2 0.445 4.405 3.960 0.000 0.000 0.686 263 G HA3 0.445 4.405 3.960 0.000 0.000 0.686 263 G C 0.144 175.045 174.900 0.003 0.000 1.177 263 G CA -0.572 44.533 45.100 0.008 0.000 0.775 263 G HN 2.023 nan 8.290 nan 0.000 0.613 264 G N 1.255 110.061 108.800 0.010 0.000 2.525 264 G HA2 0.515 4.475 3.960 0.000 0.000 0.685 264 G HA3 0.515 4.475 3.960 0.000 0.000 0.685 264 G C 0.341 175.245 174.900 0.006 0.000 1.290 264 G CA 0.538 45.642 45.100 0.006 0.000 0.915 264 G HN 2.783 nan 8.290 nan 0.000 0.548 265 K N -2.216 118.187 120.400 0.005 0.000 4.789 265 K HA 0.077 4.397 4.320 0.000 0.000 0.290 265 K C 0.436 177.041 176.600 0.009 0.000 0.798 265 K CA 1.464 57.755 56.287 0.005 0.000 0.860 265 K CB -1.816 30.686 32.500 0.002 0.000 1.852 265 K HN 2.338 nan 8.250 nan 0.000 0.413 266 A N 2.927 125.753 122.820 0.011 0.000 2.425 266 A HA 0.366 4.686 4.320 0.000 0.000 0.249 266 A C -0.070 177.520 177.584 0.010 0.000 1.084 266 A CA -0.075 51.971 52.037 0.015 0.000 0.781 266 A CB 0.381 19.390 19.000 0.016 0.000 1.019 266 A HN 0.727 nan 8.150 nan 0.000 0.490 267 E N 0.035 120.241 120.200 0.011 0.000 2.449 267 E HA 0.603 4.953 4.350 0.000 0.000 0.278 267 E C -1.749 174.853 176.600 0.003 0.000 0.992 267 E CA -0.900 55.503 56.400 0.006 0.000 0.807 267 E CB 2.287 31.990 29.700 0.005 0.000 1.350 267 E HN 0.349 nan 8.360 nan 0.000 0.462 268 V N 1.833 121.746 119.914 -0.003 0.000 2.686 268 V HA 0.464 4.585 4.120 0.000 0.000 0.306 268 V C -0.711 175.375 176.094 -0.014 0.000 1.065 268 V CA -0.624 61.671 62.300 -0.009 0.000 0.894 268 V CB 1.565 33.383 31.823 -0.009 0.000 1.004 268 V HN 0.510 nan 8.190 nan 0.000 0.424 269 I N 3.018 123.575 120.570 -0.022 0.000 2.404 269 I HA 0.532 4.702 4.170 0.000 0.000 0.293 269 I C -0.012 176.083 176.117 -0.035 0.000 0.992 269 I CA -0.292 60.992 61.300 -0.027 0.000 1.149 269 I CB 2.272 40.253 38.000 -0.031 0.000 1.315 269 I HN 0.513 nan 8.210 nan 0.000 0.446 270 T N 4.849 119.381 114.554 -0.036 0.000 2.824 270 T HA 0.568 4.918 4.350 0.000 0.000 0.280 270 T C -0.295 174.375 174.700 -0.050 0.000 0.995 270 T CA -0.526 61.550 62.100 -0.041 0.000 1.009 270 T CB 1.172 70.019 68.868 -0.034 0.000 0.955 270 T HN 0.839 nan 8.240 nan 0.000 0.452 271 C N 1.003 120.267 119.300 -0.060 0.000 3.318 271 C HA 0.651 5.111 4.460 0.000 0.000 0.329 271 C C 0.514 175.457 174.990 -0.079 0.000 1.449 271 C CA -0.760 58.214 59.018 -0.072 0.000 1.397 271 C CB 1.103 28.792 27.740 -0.084 0.000 1.810 271 C HN 0.785 nan 8.230 nan 0.000 0.449 272 D N -0.180 120.163 120.400 -0.095 0.000 2.380 272 D HA 0.197 4.838 4.640 0.000 0.000 0.212 272 D C -0.050 176.176 176.300 -0.124 0.000 1.021 272 D CA 1.106 55.045 54.000 -0.103 0.000 0.884 272 D CB 1.047 41.781 40.800 -0.109 0.000 1.001 272 D HN 0.393 nan 8.370 nan 0.000 0.506 273 V N 1.798 121.626 119.914 -0.144 0.000 2.686 273 V HA 0.265 4.385 4.120 0.000 0.000 0.306 273 V C -1.085 174.924 176.094 -0.141 0.000 1.065 273 V CA -0.873 61.329 62.300 -0.164 0.000 0.894 273 V CB 2.903 34.578 31.823 -0.245 0.000 1.004 273 V HN -0.056 nan 8.190 nan 0.000 0.424 274 L N 5.962 127.112 121.223 -0.120 0.000 2.287 274 L HA 0.711 5.051 4.340 0.000 0.000 0.287 274 L C -0.880 175.934 176.870 -0.092 0.000 1.022 274 L CA -0.286 54.491 54.840 -0.105 0.000 0.814 274 L CB 1.409 43.406 42.059 -0.104 0.000 1.217 274 L HN 0.648 nan 8.230 nan 0.000 0.420 275 L N 6.650 127.829 121.223 -0.073 0.000 2.287 275 L HA 0.620 4.960 4.340 0.000 0.000 0.287 275 L C -1.107 175.754 176.870 -0.015 0.000 1.022 275 L CA -0.193 54.625 54.840 -0.037 0.000 0.814 275 L CB 1.637 43.689 42.059 -0.011 0.000 1.217 275 L HN 0.381 nan 8.230 nan 0.000 0.420 276 V N 5.036 124.951 119.914 0.001 0.000 2.347 276 V HA 0.391 4.511 4.120 0.000 0.000 0.280 276 V C -0.227 175.908 176.094 0.067 0.000 1.021 276 V CA -0.349 61.967 62.300 0.027 0.000 0.847 276 V CB 0.950 32.795 31.823 0.037 0.000 0.990 276 V HN 1.004 nan 8.190 nan 0.000 0.444 277 C N 4.049 123.403 119.300 0.090 0.000 3.430 277 C HA 0.506 4.966 4.460 0.000 0.000 0.268 277 C C 0.541 175.601 174.990 0.116 0.000 1.101 277 C CA -0.807 58.272 59.018 0.102 0.000 1.286 277 C CB -1.169 26.635 27.740 0.106 0.000 1.795 277 C HN 0.855 nan 8.230 nan 0.000 0.569 278 I N -0.009 120.636 120.570 0.124 0.000 3.889 278 I HA 0.696 4.866 4.170 0.000 0.000 0.332 278 I C 0.757 176.925 176.117 0.085 0.000 1.493 278 I CA 0.449 61.821 61.300 0.120 0.000 1.158 278 I CB -0.131 37.963 38.000 0.156 0.000 1.117 278 I HN 0.974 nan 8.210 nan 0.000 0.411 279 G N 1.226 110.075 108.800 0.083 0.000 2.423 279 G HA2 0.043 4.003 3.960 0.000 0.000 0.684 279 G HA3 0.043 4.003 3.960 0.000 0.000 0.684 279 G C -1.128 173.807 174.900 0.059 0.000 1.309 279 G CA -1.112 44.028 45.100 0.066 0.000 0.950 279 G HN 0.362 nan 8.290 nan 0.000 0.587 280 R N -0.523 120.007 120.500 0.050 0.000 2.888 280 R HA 0.819 5.159 4.340 0.000 0.000 0.266 280 R C 0.292 176.620 176.300 0.046 0.000 1.020 280 R CA -0.984 55.145 56.100 0.049 0.000 0.963 280 R CB 2.214 32.539 30.300 0.042 0.000 1.197 280 R HN 0.908 nan 8.270 nan 0.000 0.481 281 R N 0.368 120.903 120.500 0.058 0.000 2.808 281 R HA 0.543 4.883 4.340 0.000 0.000 0.272 281 R C -2.878 173.474 176.300 0.087 0.000 0.995 281 R CA -2.174 53.961 56.100 0.059 0.000 0.917 281 R CB 1.805 32.137 30.300 0.053 0.000 1.217 281 R HN 0.307 nan 8.270 nan 0.000 0.471 282 P HA -0.017 nan 4.420 nan 0.000 0.267 282 P C -1.211 176.175 177.300 0.142 0.000 1.205 282 P CA 0.097 63.255 63.100 0.096 0.000 0.765 282 P CB 0.321 32.054 31.700 0.055 0.000 0.828 283 F N 4.235 124.194 119.950 0.017 0.000 2.361 283 F HA 0.349 4.876 4.527 0.000 0.000 0.364 283 F C 0.726 176.543 175.800 0.029 0.000 1.120 283 F CA 0.032 58.046 58.000 0.025 0.000 1.102 283 F CB 1.076 40.087 39.000 0.019 0.000 1.183 283 F HN 0.322 nan 8.300 nan 0.000 0.476 284 T N 0.942 115.225 114.554 -0.453 0.000 3.262 284 T HA 0.191 4.541 4.350 0.000 0.000 0.300 284 T C 0.158 174.630 174.700 -0.380 0.000 0.959 284 T CA -0.568 61.351 62.100 -0.302 0.000 0.936 284 T CB -0.296 68.499 68.868 -0.122 0.000 1.169 284 T HN 0.303 nan 8.240 nan 0.000 0.532 285 K N 3.329 123.300 120.400 -0.715 0.000 2.491 285 K HA 0.108 4.428 4.320 0.000 0.000 0.279 285 K C 0.352 176.890 176.600 -0.104 0.000 1.026 285 K CA 0.441 56.494 56.287 -0.390 0.000 1.070 285 K CB -0.393 31.855 32.500 -0.420 0.000 0.887 285 K HN 0.252 nan 8.250 nan 0.000 0.481 286 N N 2.435 121.105 118.700 -0.050 0.000 2.727 286 N HA -0.236 4.504 4.740 0.000 0.000 0.249 286 N C 0.003 175.581 175.510 0.112 0.000 1.048 286 N CA 0.806 53.862 53.050 0.010 0.000 0.714 286 N CB -1.078 37.368 38.487 -0.069 0.000 0.959 286 N HN 0.446 nan 8.380 nan 0.000 0.544 287 L N -0.701 120.560 121.223 0.063 0.000 2.529 287 L HA 0.307 4.647 4.340 0.000 0.000 0.223 287 L C 1.587 178.487 176.870 0.050 0.000 1.113 287 L CA 1.766 56.653 54.840 0.078 0.000 0.861 287 L CB -0.255 41.824 42.059 0.033 0.000 1.012 287 L HN 0.525 nan 8.230 nan 0.000 0.461 288 G N -1.093 107.723 108.800 0.026 0.000 2.131 288 G HA2 -0.269 3.692 3.960 0.000 0.000 0.223 288 G HA3 -0.269 3.692 3.960 0.000 0.000 0.223 288 G C 0.976 175.880 174.900 0.007 0.000 0.990 288 G CA 0.483 45.592 45.100 0.016 0.000 0.671 288 G HN 0.350 nan 8.290 nan 0.000 0.521 289 L N -0.235 120.988 121.223 0.000 0.000 2.017 289 L HA -0.004 4.336 4.340 0.000 0.000 0.208 289 L C 2.577 179.442 176.870 -0.007 0.000 1.073 289 L CA 2.106 56.944 54.840 -0.004 0.000 0.745 289 L CB -0.336 41.717 42.059 -0.010 0.000 0.894 289 L HN 0.487 nan 8.230 nan 0.000 0.432 290 E N 0.356 120.549 120.200 -0.011 0.000 2.150 290 E HA -0.256 4.094 4.350 0.000 0.000 0.193 290 E C 1.865 178.460 176.600 -0.008 0.000 0.985 290 E CA 0.804 57.198 56.400 -0.012 0.000 0.814 290 E CB 0.210 29.901 29.700 -0.015 0.000 0.752 290 E HN 0.268 nan 8.360 nan 0.000 0.466 291 E N -0.242 119.954 120.200 -0.006 0.000 2.478 291 E HA -0.081 4.269 4.350 0.000 0.000 0.198 291 E C 1.284 177.883 176.600 -0.002 0.000 1.046 291 E CA 0.294 56.692 56.400 -0.004 0.000 0.870 291 E CB 0.186 29.885 29.700 -0.002 0.000 0.818 291 E HN 0.236 nan 8.360 nan 0.000 0.527 292 L N -2.137 119.085 121.223 -0.002 0.000 2.642 292 L HA 0.379 4.719 4.340 0.000 0.000 0.233 292 L C 1.403 178.270 176.870 -0.005 0.000 1.077 292 L CA 1.108 55.947 54.840 -0.002 0.000 0.879 292 L CB 0.807 42.867 42.059 0.001 0.000 1.151 292 L HN 0.195 nan 8.230 nan 0.000 0.495 293 G N -0.151 108.645 108.800 -0.007 0.000 2.184 293 G HA2 -0.196 3.764 3.960 0.000 0.000 0.206 293 G HA3 -0.196 3.764 3.960 0.000 0.000 0.206 293 G C 0.321 175.215 174.900 -0.011 0.000 0.995 293 G CA 0.009 45.103 45.100 -0.009 0.000 0.651 293 G HN 0.183 nan 8.290 nan 0.000 0.511 294 I N 2.796 123.360 120.570 -0.010 0.000 2.281 294 I HA 0.306 4.476 4.170 0.000 0.000 0.293 294 I C 0.624 176.736 176.117 -0.009 0.000 1.085 294 I CA -0.396 60.898 61.300 -0.010 0.000 1.257 294 I CB 0.592 38.588 38.000 -0.007 0.000 1.430 294 I HN 0.380 nan 8.210 nan 0.000 0.489 295 E N 7.566 127.760 120.200 -0.010 0.000 2.197 295 E HA 0.525 4.875 4.350 0.000 0.000 0.281 295 E C -0.813 175.782 176.600 -0.008 0.000 0.995 295 E CA -0.815 55.579 56.400 -0.010 0.000 0.808 295 E CB 1.590 31.284 29.700 -0.010 0.000 1.093 295 E HN 0.443 nan 8.360 nan 0.000 0.394 296 L N 2.181 123.399 121.223 -0.008 0.000 2.472 296 L HA 0.138 4.478 4.340 0.000 0.000 0.260 296 L C 0.676 177.544 176.870 -0.004 0.000 1.209 296 L CA -0.614 54.223 54.840 -0.005 0.000 0.817 296 L CB 0.005 42.059 42.059 -0.009 0.000 1.106 296 L HN 0.720 nan 8.230 nan 0.000 0.479 297 D N 0.538 120.938 120.400 0.000 0.000 2.387 297 D HA 0.148 4.788 4.640 0.000 0.000 0.251 297 D C -1.890 174.409 176.300 -0.002 0.000 1.141 297 D CA -2.100 51.900 54.000 0.001 0.000 0.987 297 D CB -0.012 40.792 40.800 0.006 0.000 1.116 297 D HN 0.227 nan 8.370 nan 0.000 0.491 298 P HA -0.153 nan 4.420 nan 0.000 0.224 298 P C 0.737 178.033 177.300 -0.005 0.000 1.142 298 P CA 0.912 64.009 63.100 -0.005 0.000 0.778 298 P CB 0.184 31.881 31.700 -0.005 0.000 0.764 299 R N -1.569 118.930 120.500 -0.001 0.000 2.317 299 R HA 0.227 4.567 4.340 0.000 0.000 0.208 299 R C 1.575 177.877 176.300 0.003 0.000 0.914 299 R CA 0.794 56.895 56.100 0.000 0.000 1.060 299 R CB -0.328 29.975 30.300 0.005 0.000 1.015 299 R HN 0.254 nan 8.270 nan 0.000 0.498 300 G N 1.846 110.647 108.800 0.001 0.000 2.175 300 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 300 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 300 G C 0.024 174.928 174.900 0.006 0.000 0.982 300 G CA -0.185 44.915 45.100 -0.001 0.000 0.641 300 G HN 0.269 nan 8.290 nan 0.000 0.527 301 R N -0.146 120.361 120.500 0.012 0.000 2.410 301 R HA 0.589 4.929 4.340 0.000 0.000 0.288 301 R C 0.537 176.849 176.300 0.021 0.000 1.051 301 R CA -0.636 55.476 56.100 0.021 0.000 1.021 301 R CB 1.044 31.358 30.300 0.024 0.000 1.032 301 R HN 0.269 nan 8.270 nan 0.000 0.481 302 I N 4.595 125.183 120.570 0.031 0.000 2.363 302 I HA 0.122 4.292 4.170 0.000 0.000 0.292 302 I C -1.923 174.215 176.117 0.036 0.000 1.075 302 I CA -1.966 59.353 61.300 0.030 0.000 1.333 302 I CB 0.709 38.734 38.000 0.041 0.000 1.415 302 I HN 0.225 nan 8.210 nan 0.000 0.502 303 P HA 0.115 nan 4.420 nan 0.000 0.268 303 P C -0.747 176.558 177.300 0.007 0.000 1.204 303 P CA -0.023 63.084 63.100 0.012 0.000 0.768 303 P CB 0.812 32.512 31.700 -0.001 0.000 0.842 304 V N -0.306 119.606 119.914 -0.002 0.000 3.206 304 V HA 0.696 4.816 4.120 0.000 0.000 0.305 304 V C -0.519 175.520 176.094 -0.091 0.000 1.257 304 V CA -1.056 61.227 62.300 -0.030 0.000 1.057 304 V CB 2.110 33.949 31.823 0.026 0.000 1.075 304 V HN 0.547 nan 8.190 nan 0.000 0.443 305 N N -0.315 118.307 118.700 -0.130 0.000 2.681 305 N HA 0.309 5.049 4.740 0.000 0.000 0.311 305 N C 1.121 176.468 175.510 -0.272 0.000 1.303 305 N CA 0.193 53.152 53.050 -0.152 0.000 0.926 305 N CB -0.047 38.374 38.487 -0.109 0.000 1.136 305 N HN 1.018 nan 8.380 nan 0.000 0.592 306 T N -2.936 111.492 114.554 -0.210 0.000 3.163 306 T HA 0.064 4.414 4.350 0.000 0.000 0.260 306 T C 0.709 175.266 174.700 -0.237 0.000 1.156 306 T CA 0.626 62.574 62.100 -0.253 0.000 1.072 306 T CB -0.348 68.451 68.868 -0.115 0.000 0.937 306 T HN 0.498 nan 8.240 nan 0.000 0.528 307 R N -0.805 119.609 120.500 -0.143 0.000 2.472 307 R HA 0.359 4.699 4.340 0.000 0.000 0.279 307 R C -0.275 176.212 176.300 0.312 0.000 0.953 307 R CA -0.248 55.915 56.100 0.104 0.000 1.088 307 R CB 0.094 30.484 30.300 0.149 0.000 1.197 307 R HN 0.370 nan 8.270 nan 0.000 0.536 308 F N 0.359 120.389 119.950 0.134 0.000 2.926 308 F HA -0.268 4.259 4.527 0.000 0.000 0.288 308 F C 0.007 175.872 175.800 0.109 0.000 0.756 308 F CA 0.560 58.656 58.000 0.160 0.000 1.292 308 F CB -1.937 37.189 39.000 0.210 0.000 1.482 308 F HN 0.140 nan 8.300 nan 0.000 0.400 309 Q N 0.434 120.206 119.800 -0.046 0.000 2.288 309 Q HA 0.467 4.807 4.340 0.000 0.000 0.254 309 Q C 0.984 176.876 176.000 -0.180 0.000 0.932 309 Q CA 0.224 55.798 55.803 -0.382 0.000 0.902 309 Q CB 1.467 29.947 28.738 -0.430 0.000 1.203 309 Q HN 0.375 nan 8.270 nan 0.000 0.415 310 T N -1.719 112.733 114.554 -0.170 0.000 2.793 310 T HA 0.117 4.467 4.350 0.000 0.000 0.299 310 T C 1.057 175.699 174.700 -0.096 0.000 1.038 310 T CA -0.631 61.420 62.100 -0.081 0.000 0.948 310 T CB 0.626 69.468 68.868 -0.044 0.000 1.231 310 T HN 0.676 nan 8.240 nan 0.000 0.538 311 K N -0.673 119.691 120.400 -0.060 0.000 2.211 311 K HA -0.040 4.280 4.320 0.000 0.000 0.204 311 K C 0.328 176.891 176.600 -0.062 0.000 1.047 311 K CA 0.776 57.031 56.287 -0.055 0.000 0.935 311 K CB -0.170 32.309 32.500 -0.035 0.000 0.728 311 K HN 0.515 nan 8.250 nan 0.000 0.452 312 I N 3.552 124.081 120.570 -0.067 0.000 2.291 312 I HA 0.081 4.252 4.170 0.000 0.000 0.292 312 I C -1.668 174.382 176.117 -0.112 0.000 1.064 312 I CA -2.514 58.747 61.300 -0.065 0.000 1.269 312 I CB 0.662 38.638 38.000 -0.041 0.000 1.418 312 I HN -0.002 nan 8.210 nan 0.000 0.485 313 P HA -0.237 nan 4.420 nan 0.000 0.219 313 P C 0.680 177.855 177.300 -0.208 0.000 1.151 313 P CA 1.707 64.714 63.100 -0.155 0.000 0.850 313 P CB 0.104 31.756 31.700 -0.079 0.000 0.784 314 N N -0.994 117.641 118.700 -0.107 0.000 2.203 314 N HA 0.071 4.811 4.740 0.000 0.000 0.207 314 N C 0.192 175.738 175.510 0.060 0.000 1.130 314 N CA -0.194 52.861 53.050 0.007 0.000 0.861 314 N CB -0.004 38.518 38.487 0.058 0.000 1.005 314 N HN 0.211 nan 8.380 nan 0.000 0.507 315 I N 1.628 122.151 120.570 -0.078 0.000 2.355 315 I HA 0.310 4.480 4.170 0.000 0.000 0.288 315 I C -0.900 175.192 176.117 -0.041 0.000 0.999 315 I CA -0.868 60.447 61.300 0.026 0.000 1.163 315 I CB 0.599 38.602 38.000 0.005 0.000 1.316 315 I HN -0.163 nan 8.210 nan 0.000 0.454 316 Y N 4.393 124.704 120.300 0.019 0.000 2.528 316 Y HA 0.808 5.358 4.550 0.000 0.000 0.335 316 Y C 0.266 176.199 175.900 0.055 0.000 1.093 316 Y CA -1.175 56.957 58.100 0.053 0.000 1.134 316 Y CB 1.836 40.328 38.460 0.055 0.000 1.253 316 Y HN 0.542 nan 8.280 nan 0.000 0.478 317 A N 2.503 125.484 122.820 0.270 0.000 2.427 317 A HA 0.834 5.154 4.320 0.000 0.000 0.298 317 A C -1.167 176.545 177.584 0.213 0.000 1.036 317 A CA -0.585 51.560 52.037 0.180 0.000 0.701 317 A CB 0.790 19.872 19.000 0.136 0.000 1.250 317 A HN 0.776 nan 8.150 nan 0.000 0.412 318 I N -0.714 119.908 120.570 0.085 0.000 3.074 318 I HA 0.966 5.136 4.170 0.000 0.000 0.310 318 I C 0.468 176.579 176.117 -0.011 0.000 1.153 318 I CA -0.232 61.057 61.300 -0.018 0.000 0.993 318 I CB 2.120 39.980 38.000 -0.233 0.000 1.237 318 I HN 1.955 nan 8.210 nan 0.000 0.443 319 G N 2.835 111.615 108.800 -0.034 0.000 2.527 319 G HA2 -0.234 3.726 3.960 0.000 0.000 0.227 319 G HA3 -0.234 3.726 3.960 0.000 0.000 0.227 319 G C -0.010 174.883 174.900 -0.011 0.000 1.291 319 G CA 0.503 45.582 45.100 -0.035 0.000 0.904 319 G HN 0.816 nan 8.290 nan 0.000 0.577 320 D N -0.583 119.809 120.400 -0.013 0.000 2.311 320 D HA 0.003 4.643 4.640 0.000 0.000 0.212 320 D C 2.355 178.671 176.300 0.027 0.000 0.972 320 D CA 1.242 55.241 54.000 -0.001 0.000 0.887 320 D CB 0.024 40.828 40.800 0.007 0.000 0.915 320 D HN 0.425 nan 8.370 nan 0.000 0.497 321 V N 0.174 120.114 119.914 0.043 0.000 3.306 321 V HA -0.019 4.101 4.120 0.000 0.000 0.264 321 V C 0.840 176.968 176.094 0.057 0.000 1.149 321 V CA 0.469 62.804 62.300 0.058 0.000 1.143 321 V CB 0.132 31.997 31.823 0.068 0.000 0.767 321 V HN 0.023 nan 8.190 nan 0.000 0.476 322 V N -2.226 117.725 119.914 0.063 0.000 3.204 322 V HA 0.931 5.051 4.120 0.000 0.000 0.316 322 V C 0.289 176.411 176.094 0.047 0.000 1.160 322 V CA -0.741 61.608 62.300 0.082 0.000 1.044 322 V CB 1.090 33.012 31.823 0.166 0.000 1.136 322 V HN 0.140 nan 8.190 nan 0.000 0.455 323 A N -0.154 122.699 122.820 0.054 0.000 2.327 323 A HA 0.803 5.123 4.320 0.000 0.000 0.255 323 A C 0.843 178.367 177.584 -0.101 0.000 1.099 323 A CA 0.515 52.555 52.037 0.005 0.000 0.801 323 A CB -0.399 18.623 19.000 0.037 0.000 1.062 323 A HN 2.960 nan 8.150 nan 0.000 0.496 324 G N -0.661 108.012 108.800 -0.212 0.000 2.479 324 G HA2 0.183 4.144 3.960 0.000 0.000 0.686 324 G HA3 0.183 4.144 3.960 0.000 0.000 0.686 324 G C -3.256 171.429 174.900 -0.358 0.000 1.295 324 G CA -0.544 44.224 45.100 -0.554 0.000 0.922 324 G HN 0.793 nan 8.290 nan 0.000 0.582 325 P HA 0.335 nan 4.420 nan 0.000 0.263 325 P C 0.400 177.589 177.300 -0.186 0.000 1.195 325 P CA 0.188 63.169 63.100 -0.198 0.000 0.762 325 P CB 0.302 31.902 31.700 -0.167 0.000 0.799 326 M N 4.082 123.615 119.600 -0.112 0.000 3.237 326 M HA 0.177 4.657 4.480 0.000 0.000 0.266 326 M C -0.359 175.877 176.300 -0.107 0.000 1.456 326 M CA 0.543 55.789 55.300 -0.091 0.000 1.593 326 M CB -0.709 31.868 32.600 -0.039 0.000 1.129 326 M HN 0.202 nan 8.290 nan 0.000 0.547 327 L N -0.309 120.800 121.223 -0.190 0.000 2.354 327 L HA 0.616 4.956 4.340 0.000 0.000 0.264 327 L C 1.082 177.781 176.870 -0.286 0.000 1.008 327 L CA -0.612 54.063 54.840 -0.275 0.000 0.819 327 L CB 1.867 43.612 42.059 -0.524 0.000 1.339 327 L HN 0.512 nan 8.230 nan 0.000 0.420 328 A N 0.659 123.367 122.820 -0.186 0.000 1.877 328 A HA -0.185 4.135 4.320 0.000 0.000 0.216 328 A C 2.003 179.535 177.584 -0.087 0.000 1.186 328 A CA 1.728 53.716 52.037 -0.081 0.000 0.620 328 A CB -0.832 18.183 19.000 0.024 0.000 0.822 328 A HN 0.944 nan 8.150 nan 0.000 0.443 329 H N -0.914 118.139 119.070 -0.029 0.000 2.423 329 H HA -0.044 4.512 4.556 0.000 0.000 0.297 329 H C 1.735 177.040 175.328 -0.038 0.000 1.075 329 H CA 1.409 57.435 56.048 -0.036 0.000 1.342 329 H CB -0.385 29.357 29.762 -0.033 0.000 1.395 329 H HN 0.444 nan 8.280 nan 0.000 0.530 330 K N 1.798 122.001 120.400 -0.328 0.000 2.097 330 K HA -0.001 4.319 4.320 0.000 0.000 0.205 330 K C 2.289 178.825 176.600 -0.107 0.000 1.050 330 K CA 1.086 57.276 56.287 -0.163 0.000 0.938 330 K CB -0.231 32.131 32.500 -0.229 0.000 0.718 330 K HN 0.304 nan 8.250 nan 0.000 0.442 331 A N 1.594 124.335 122.820 -0.133 0.000 1.873 331 A HA -0.156 4.164 4.320 0.000 0.000 0.215 331 A C 1.971 179.472 177.584 -0.139 0.000 1.186 331 A CA 1.552 53.517 52.037 -0.120 0.000 0.616 331 A CB -0.419 18.523 19.000 -0.097 0.000 0.823 331 A HN 0.490 nan 8.150 nan 0.000 0.442 332 E N -0.145 119.981 120.200 -0.123 0.000 2.038 332 E HA -0.223 4.127 4.350 0.000 0.000 0.195 332 E C 1.650 178.170 176.600 -0.133 0.000 1.000 332 E CA 1.348 57.662 56.400 -0.144 0.000 0.803 332 E CB -0.301 29.331 29.700 -0.114 0.000 0.750 332 E HN 0.535 nan 8.360 nan 0.000 0.448 333 D N 0.688 121.036 120.400 -0.088 0.000 2.104 333 D HA -0.162 4.478 4.640 0.000 0.000 0.194 333 D C 1.776 177.988 176.300 -0.145 0.000 0.994 333 D CA 1.090 55.044 54.000 -0.078 0.000 0.830 333 D CB -0.137 40.649 40.800 -0.023 0.000 0.959 333 D HN 0.202 nan 8.370 nan 0.000 0.452 334 E N -0.239 119.835 120.200 -0.210 0.000 2.085 334 E HA -0.122 4.228 4.350 0.000 0.000 0.194 334 E C 2.180 178.477 176.600 -0.506 0.000 0.994 334 E CA 1.042 57.148 56.400 -0.490 0.000 0.801 334 E CB -0.242 29.140 29.700 -0.530 0.000 0.743 334 E HN 0.326 nan 8.360 nan 0.000 0.453 335 G N 1.193 109.802 108.800 -0.319 0.000 2.421 335 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 335 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 335 G C 1.587 176.359 174.900 -0.213 0.000 1.171 335 G CA 0.611 45.555 45.100 -0.260 0.000 0.775 335 G HN 0.113 nan 8.290 nan 0.000 0.543 336 I N 1.566 122.034 120.570 -0.170 0.000 2.113 336 I HA -0.172 3.998 4.170 0.000 0.000 0.238 336 I C 2.789 178.854 176.117 -0.086 0.000 1.070 336 I CA 1.497 62.731 61.300 -0.111 0.000 1.332 336 I CB -0.305 37.645 38.000 -0.083 0.000 1.044 336 I HN 0.321 nan 8.210 nan 0.000 0.402 337 I N -1.355 119.165 120.570 -0.084 0.000 2.493 337 I HA -0.257 3.913 4.170 0.000 0.000 0.254 337 I C 2.795 178.921 176.117 0.015 0.000 1.160 337 I CA 1.169 62.463 61.300 -0.010 0.000 1.445 337 I CB -0.888 37.141 38.000 0.048 0.000 1.086 337 I HN 0.371 nan 8.210 nan 0.000 0.433 338 C N 2.025 121.269 119.300 -0.093 0.000 2.462 338 C HA -0.092 4.368 4.460 0.000 0.000 0.278 338 C C 2.928 177.823 174.990 -0.158 0.000 1.253 338 C CA 1.340 60.321 59.018 -0.063 0.000 1.713 338 C CB -1.008 26.600 27.740 -0.220 0.000 2.049 338 C HN 0.576 nan 8.230 nan 0.000 0.477 339 V N -0.183 119.620 119.914 -0.186 0.000 2.515 339 V HA -0.117 4.003 4.120 0.000 0.000 0.250 339 V C 2.248 178.334 176.094 -0.012 0.000 1.058 339 V CA 2.254 64.444 62.300 -0.183 0.000 1.064 339 V CB -1.252 30.486 31.823 -0.141 0.000 0.675 339 V HN 0.605 nan 8.190 nan 0.000 0.461 340 E N 1.467 121.676 120.200 0.016 0.000 2.150 340 E HA -0.052 4.298 4.350 0.000 0.000 0.193 340 E C 2.325 178.976 176.600 0.084 0.000 0.985 340 E CA 1.146 57.586 56.400 0.066 0.000 0.814 340 E CB -0.465 29.261 29.700 0.043 0.000 0.752 340 E HN 0.712 nan 8.360 nan 0.000 0.466 341 G N 1.017 109.860 108.800 0.073 0.000 2.408 341 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 341 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 341 G C 1.544 176.513 174.900 0.114 0.000 1.150 341 G CA 0.388 45.553 45.100 0.109 0.000 0.776 341 G HN 0.094 nan 8.290 nan 0.000 0.542 342 M N 0.831 120.456 119.600 0.042 0.000 2.213 342 M HA 0.014 4.494 4.480 0.000 0.000 0.263 342 M C 2.678 179.172 176.300 0.323 0.000 1.062 342 M CA 1.235 56.565 55.300 0.050 0.000 1.105 342 M CB -0.076 32.333 32.600 -0.318 0.000 1.385 342 M HN 0.294 nan 8.290 nan 0.000 0.417 343 A N -0.220 122.807 122.820 0.345 0.000 2.259 343 A HA 0.397 4.717 4.320 0.000 0.000 0.208 343 A C 1.563 179.218 177.584 0.117 0.000 1.201 343 A CA 0.740 52.926 52.037 0.248 0.000 0.824 343 A CB -0.694 18.383 19.000 0.128 0.000 0.838 343 A HN 0.659 nan 8.150 nan 0.000 0.485 344 G N -1.966 106.910 108.800 0.125 0.000 2.141 344 G HA2 -0.031 3.929 3.960 0.000 0.000 0.231 344 G HA3 -0.031 3.929 3.960 0.000 0.000 0.231 344 G C 0.703 175.644 174.900 0.069 0.000 0.984 344 G CA 0.247 45.399 45.100 0.087 0.000 0.660 344 G HN 1.296 nan 8.290 nan 0.000 0.525 345 G N -0.265 108.580 108.800 0.074 0.000 2.563 345 G HA2 0.773 4.733 3.960 0.000 0.000 0.283 345 G HA3 0.773 4.733 3.960 0.000 0.000 0.283 345 G C 0.620 175.561 174.900 0.069 0.000 1.309 345 G CA 0.366 45.502 45.100 0.061 0.000 1.022 345 G HN 1.502 nan 8.290 nan 0.000 0.501 346 A N -1.558 121.299 122.820 0.062 0.000 2.332 346 A HA 0.587 4.907 4.320 0.000 0.000 0.258 346 A C -0.444 177.198 177.584 0.096 0.000 1.087 346 A CA -0.227 51.850 52.037 0.068 0.000 0.802 346 A CB 0.880 19.913 19.000 0.055 0.000 1.042 346 A HN 1.041 nan 8.150 nan 0.000 0.489 347 V N 3.151 123.135 119.914 0.117 0.000 2.524 347 V HA 0.479 4.599 4.120 0.000 0.000 0.297 347 V C -0.490 175.726 176.094 0.204 0.000 1.035 347 V CA -0.322 62.078 62.300 0.167 0.000 0.867 347 V CB 1.115 33.058 31.823 0.200 0.000 1.004 347 V HN 1.032 nan 8.190 nan 0.000 0.426 348 H N 4.620 123.732 119.070 0.069 0.000 3.086 348 H HA 0.705 5.261 4.556 0.000 0.000 0.353 348 H C -2.316 173.022 175.328 0.017 0.000 1.134 348 H CA -0.601 55.456 56.048 0.016 0.000 1.248 348 H CB 2.607 32.361 29.762 -0.013 0.000 1.878 348 H HN 0.621 nan 8.280 nan 0.000 0.527 349 I N 3.836 124.078 120.570 -0.545 0.000 2.656 349 I HA 0.203 4.373 4.170 0.000 0.000 0.292 349 I C -1.631 174.041 176.117 -0.741 0.000 1.144 349 I CA -0.270 60.715 61.300 -0.525 0.000 1.038 349 I CB 2.036 39.934 38.000 -0.171 0.000 1.244 349 I HN 0.636 nan 8.210 nan 0.000 0.420 350 D N 5.229 125.290 120.400 -0.567 0.000 2.454 350 D HA 0.270 4.910 4.640 0.000 0.000 0.247 350 D C 0.016 176.203 176.300 -0.188 0.000 1.129 350 D CA -0.134 53.643 54.000 -0.371 0.000 0.877 350 D CB 0.606 41.289 40.800 -0.196 0.000 1.082 350 D HN 0.354 nan 8.370 nan 0.000 0.537 351 Y N 2.243 122.538 120.300 -0.007 0.000 2.483 351 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 351 Y C 2.036 177.952 175.900 0.026 0.000 1.143 351 Y CA 0.677 58.785 58.100 0.014 0.000 1.289 351 Y CB -0.750 37.728 38.460 0.030 0.000 0.983 351 Y HN 0.448 nan 8.280 nan 0.000 0.556 352 N N -0.954 117.830 118.700 0.140 0.000 2.457 352 N HA -0.094 4.646 4.740 0.000 0.000 0.180 352 N C 0.927 176.486 175.510 0.082 0.000 1.050 352 N CA 0.856 53.974 53.050 0.113 0.000 0.906 352 N CB -0.238 38.299 38.487 0.084 0.000 0.968 352 N HN 0.183 nan 8.380 nan 0.000 0.445 353 C N 0.025 119.359 119.300 0.057 0.000 2.855 353 C HA 0.391 4.851 4.460 0.000 0.000 0.279 353 C C 0.178 175.190 174.990 0.037 0.000 1.270 353 C CA -0.656 58.379 59.018 0.029 0.000 1.702 353 C CB -0.935 26.799 27.740 -0.009 0.000 1.949 353 C HN 0.065 nan 8.230 nan 0.000 0.618 354 V N 4.665 124.629 119.914 0.083 0.000 2.432 354 V HA 0.253 4.373 4.120 0.000 0.000 0.271 354 V C -1.701 174.417 176.094 0.041 0.000 1.046 354 V CA -0.949 61.413 62.300 0.103 0.000 0.945 354 V CB 0.823 32.740 31.823 0.155 0.000 0.992 354 V HN 0.286 nan 8.190 nan 0.000 0.471 355 P HA 0.346 nan 4.420 nan 0.000 0.276 355 P C -0.638 176.550 177.300 -0.186 0.000 1.252 355 P CA -0.434 62.567 63.100 -0.164 0.000 0.802 355 P CB 1.232 32.793 31.700 -0.231 0.000 1.035 356 S N -0.164 115.192 115.700 -0.573 0.000 2.521 356 S HA 0.541 5.011 4.470 0.000 0.000 0.295 356 S C -0.553 173.560 174.600 -0.812 0.000 1.098 356 S CA -0.539 57.204 58.200 -0.761 0.000 0.999 356 S CB 1.213 63.505 63.200 -1.514 0.000 1.034 356 S HN 0.224 nan 8.310 nan 0.000 0.483 357 V N 3.840 123.444 119.914 -0.517 0.000 2.876 357 V HA 0.590 4.710 4.120 0.000 0.000 0.312 357 V C -0.827 175.023 176.094 -0.406 0.000 1.085 357 V CA -0.659 61.318 62.300 -0.539 0.000 0.945 357 V CB 1.944 33.370 31.823 -0.662 0.000 1.017 357 V HN 0.803 nan 8.190 nan 0.000 0.428 358 I N 3.348 123.694 120.570 -0.373 0.000 2.410 358 I HA 0.344 4.514 4.170 0.000 0.000 0.286 358 I C -0.739 175.252 176.117 -0.210 0.000 1.009 358 I CA -0.447 60.778 61.300 -0.125 0.000 1.111 358 I CB 1.816 39.803 38.000 -0.021 0.000 1.262 358 I HN 0.642 nan 8.210 nan 0.000 0.443 359 Y N 3.974 124.291 120.300 0.029 0.000 2.547 359 Y HA 0.035 4.585 4.550 0.000 0.000 0.325 359 Y C 1.708 177.644 175.900 0.060 0.000 1.165 359 Y CA -0.473 57.637 58.100 0.017 0.000 1.300 359 Y CB -0.543 37.919 38.460 0.003 0.000 1.126 359 Y HN 0.537 nan 8.280 nan 0.000 0.513 360 T N -2.623 112.055 114.554 0.206 0.000 2.715 360 T HA 0.054 4.404 4.350 0.000 0.000 0.320 360 T C -0.282 174.531 174.700 0.188 0.000 1.046 360 T CA -0.443 61.814 62.100 0.261 0.000 0.983 360 T CB 0.861 69.989 68.868 0.432 0.000 1.183 360 T HN 0.319 nan 8.240 nan 0.000 0.522 361 H N 1.572 120.719 119.070 0.128 0.000 3.013 361 H HA 0.358 4.914 4.556 0.000 0.000 0.326 361 H C -2.728 172.691 175.328 0.151 0.000 0.973 361 H CA -1.853 54.219 56.048 0.040 0.000 1.369 361 H CB 1.883 31.607 29.762 -0.063 0.000 1.598 361 H HN 0.492 nan 8.280 nan 0.000 0.518 362 P HA 0.083 nan 4.420 nan 0.000 0.272 362 P C -0.193 177.030 177.300 -0.127 0.000 1.230 362 P CA -0.252 62.678 63.100 -0.283 0.000 0.788 362 P CB 1.885 33.486 31.700 -0.166 0.000 0.949 363 E N -0.223 119.833 120.200 -0.239 0.000 2.371 363 E HA 0.364 4.714 4.350 0.000 0.000 0.257 363 E C -0.516 175.926 176.600 -0.263 0.000 1.134 363 E CA -0.765 55.502 56.400 -0.222 0.000 0.919 363 E CB 0.771 30.316 29.700 -0.257 0.000 1.025 363 E HN 0.188 nan 8.360 nan 0.000 0.438 364 V N 0.363 120.093 119.914 -0.307 0.000 2.789 364 V HA 0.778 4.898 4.120 0.000 0.000 0.311 364 V C -0.725 175.295 176.094 -0.123 0.000 1.073 364 V CA -0.779 61.380 62.300 -0.234 0.000 0.921 364 V CB 1.670 33.249 31.823 -0.405 0.000 1.009 364 V HN 0.781 nan 8.190 nan 0.000 0.426 365 A N 3.352 126.195 122.820 0.037 0.000 2.574 365 A HA 0.976 5.296 4.320 0.000 0.000 0.297 365 A C -1.749 175.937 177.584 0.169 0.000 1.062 365 A CA -0.600 51.389 52.037 -0.079 0.000 0.686 365 A CB 1.650 20.525 19.000 -0.209 0.000 1.285 365 A HN 1.651 nan 8.150 nan 0.000 0.403 366 W N 0.036 121.271 121.300 -0.109 0.000 3.074 366 W HA 0.771 5.431 4.660 0.000 0.000 0.332 366 W C -1.907 174.521 176.519 -0.153 0.000 1.253 366 W CA -1.142 56.104 57.345 -0.164 0.000 1.180 366 W CB 1.166 30.563 29.460 -0.105 0.000 1.445 366 W HN 1.103 nan 8.180 nan 0.000 0.573 367 V N 2.475 122.390 119.914 0.002 0.000 3.000 367 V HA 0.815 4.935 4.120 0.000 0.000 0.300 367 V C 0.180 176.287 176.094 0.023 0.000 1.251 367 V CA 0.469 62.765 62.300 -0.006 0.000 0.972 367 V CB 1.295 33.086 31.823 -0.053 0.000 1.065 367 V HN 2.262 nan 8.190 nan 0.000 0.431 368 G N 5.283 114.132 108.800 0.081 0.000 2.545 368 G HA2 -0.072 3.888 3.960 0.000 0.000 0.216 368 G HA3 -0.072 3.888 3.960 0.000 0.000 0.216 368 G C -0.923 174.051 174.900 0.123 0.000 1.314 368 G CA -0.098 45.049 45.100 0.078 0.000 0.906 368 G HN 0.911 nan 8.290 nan 0.000 0.563 369 K N 0.743 121.205 120.400 0.105 0.000 2.118 369 K HA 0.620 4.940 4.320 0.000 0.000 0.267 369 K C 0.935 177.659 176.600 0.208 0.000 0.991 369 K CA 0.197 56.550 56.287 0.110 0.000 0.916 369 K CB 1.428 33.944 32.500 0.027 0.000 1.041 369 K HN 1.073 nan 8.250 nan 0.000 0.455 370 S N 0.221 115.975 115.700 0.090 0.000 2.669 370 S HA 0.187 4.657 4.470 0.000 0.000 0.270 370 S C 0.995 175.465 174.600 -0.217 0.000 1.225 370 S CA -0.566 57.565 58.200 -0.115 0.000 0.991 370 S CB 1.160 64.222 63.200 -0.230 0.000 0.987 370 S HN 0.539 nan 8.310 nan 0.000 0.552 371 E N 0.435 120.442 120.200 -0.321 0.000 2.150 371 E HA -0.152 4.198 4.350 0.000 0.000 0.193 371 E C 1.668 178.126 176.600 -0.237 0.000 0.985 371 E CA 1.244 57.443 56.400 -0.335 0.000 0.814 371 E CB -0.136 29.440 29.700 -0.207 0.000 0.752 371 E HN 0.690 nan 8.360 nan 0.000 0.466 372 E N 0.875 120.965 120.200 -0.185 0.000 2.077 372 E HA -0.186 4.164 4.350 0.000 0.000 0.193 372 E C 1.968 178.510 176.600 -0.096 0.000 0.989 372 E CA 1.025 57.351 56.400 -0.122 0.000 0.800 372 E CB -0.080 29.541 29.700 -0.132 0.000 0.746 372 E HN 0.247 nan 8.360 nan 0.000 0.452 373 Q N -0.164 119.574 119.800 -0.103 0.000 2.124 373 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 373 Q C 2.192 178.152 176.000 -0.067 0.000 0.977 373 Q CA 0.955 56.722 55.803 -0.061 0.000 0.850 373 Q CB -0.093 28.625 28.738 -0.033 0.000 0.901 373 Q HN 0.299 nan 8.270 nan 0.000 0.429 374 L N 0.378 121.514 121.223 -0.145 0.000 2.093 374 L HA -0.181 4.159 4.340 0.000 0.000 0.208 374 L C 2.234 179.087 176.870 -0.028 0.000 1.085 374 L CA 1.149 55.895 54.840 -0.156 0.000 0.755 374 L CB -0.296 41.473 42.059 -0.483 0.000 0.904 374 L HN 0.134 nan 8.230 nan 0.000 0.435 375 K N -0.080 120.313 120.400 -0.012 0.000 2.057 375 K HA -0.214 4.106 4.320 0.000 0.000 0.206 375 K C 2.044 178.671 176.600 0.045 0.000 1.050 375 K CA 1.285 57.622 56.287 0.084 0.000 0.935 375 K CB -0.068 32.480 32.500 0.080 0.000 0.715 375 K HN 0.051 nan 8.250 nan 0.000 0.439 376 E N 1.685 121.893 120.200 0.014 0.000 2.204 376 E HA -0.183 4.167 4.350 0.000 0.000 0.195 376 E C 1.017 177.629 176.600 0.021 0.000 0.990 376 E CA 1.465 57.873 56.400 0.014 0.000 0.821 376 E CB 0.074 29.776 29.700 0.003 0.000 0.750 376 E HN 0.290 nan 8.360 nan 0.000 0.477 377 E N -1.308 118.906 120.200 0.023 0.000 2.489 377 E HA 0.159 4.509 4.350 0.000 0.000 0.193 377 E C 0.772 177.397 176.600 0.042 0.000 1.057 377 E CA 0.341 56.758 56.400 0.029 0.000 0.866 377 E CB 0.235 29.950 29.700 0.025 0.000 0.916 377 E HN 0.373 nan 8.360 nan 0.000 0.500 378 G N 1.781 110.614 108.800 0.055 0.000 2.176 378 G HA2 -0.238 3.723 3.960 0.000 0.000 0.252 378 G HA3 -0.238 3.723 3.960 0.000 0.000 0.252 378 G C 0.119 175.070 174.900 0.084 0.000 1.024 378 G CA -0.173 44.965 45.100 0.063 0.000 0.755 378 G HN 0.134 nan 8.290 nan 0.000 0.507 379 I N 0.647 121.287 120.570 0.117 0.000 2.441 379 I HA 0.264 4.434 4.170 0.000 0.000 0.287 379 I C 0.612 176.872 176.117 0.238 0.000 1.049 379 I CA -0.966 60.422 61.300 0.147 0.000 1.381 379 I CB 1.099 39.175 38.000 0.127 0.000 1.409 379 I HN 0.030 nan 8.210 nan 0.000 0.523 380 E N 6.940 127.226 120.200 0.144 0.000 2.166 380 E HA 0.194 4.544 4.350 0.000 0.000 0.279 380 E C -0.938 175.738 176.600 0.127 0.000 1.095 380 E CA -0.001 56.442 56.400 0.071 0.000 0.888 380 E CB 0.556 30.267 29.700 0.018 0.000 1.041 380 E HN 0.442 nan 8.360 nan 0.000 0.414 381 Y N 0.579 120.884 120.300 0.009 0.000 2.605 381 Y HA 0.622 5.172 4.550 0.000 0.000 0.343 381 Y C -0.413 175.491 175.900 0.008 0.000 1.036 381 Y CA -1.365 56.742 58.100 0.012 0.000 1.065 381 Y CB 1.160 39.631 38.460 0.019 0.000 1.288 381 Y HN 0.005 nan 8.280 nan 0.000 0.481 382 K N 1.361 121.834 120.400 0.122 0.000 2.208 382 K HA 0.758 5.078 4.320 0.000 0.000 0.247 382 K C -1.575 175.126 176.600 0.168 0.000 0.953 382 K CA -1.172 55.147 56.287 0.054 0.000 0.837 382 K CB 2.640 35.166 32.500 0.043 0.000 1.131 382 K HN 0.538 nan 8.250 nan 0.000 0.431 383 V N 0.949 120.926 119.914 0.105 0.000 2.540 383 V HA 0.577 4.697 4.120 0.000 0.000 0.302 383 V C -0.080 176.061 176.094 0.079 0.000 1.035 383 V CA -0.855 61.521 62.300 0.127 0.000 0.873 383 V CB 1.844 33.742 31.823 0.126 0.000 0.992 383 V HN 0.946 nan 8.190 nan 0.000 0.428 384 G N 3.395 112.241 108.800 0.076 0.000 2.590 384 G HA2 0.738 4.698 3.960 0.000 0.000 0.310 384 G HA3 0.738 4.698 3.960 0.000 0.000 0.310 384 G C -1.131 173.812 174.900 0.071 0.000 1.347 384 G CA -0.666 44.474 45.100 0.068 0.000 0.963 384 G HN 0.609 nan 8.290 nan 0.000 0.494 385 K N 0.898 121.350 120.400 0.087 0.000 2.422 385 K HA 0.567 4.887 4.320 0.000 0.000 0.251 385 K C -1.950 174.698 176.600 0.081 0.000 0.933 385 K CA -0.749 55.574 56.287 0.059 0.000 0.798 385 K CB 2.952 35.465 32.500 0.022 0.000 1.238 385 K HN 0.393 nan 8.250 nan 0.000 0.428 386 F N 4.459 124.310 119.950 -0.166 0.000 2.562 386 F HA 0.374 4.901 4.527 0.000 0.000 0.319 386 F C -2.524 173.034 175.800 -0.403 0.000 1.154 386 F CA -2.027 55.818 58.000 -0.258 0.000 0.931 386 F CB 1.704 40.575 39.000 -0.215 0.000 1.198 386 F HN 0.326 nan 8.300 nan 0.000 0.444 387 P HA 0.137 nan 4.420 nan 0.000 0.278 387 P C 0.290 177.315 177.300 -0.459 0.000 1.238 387 P CA -0.034 62.683 63.100 -0.638 0.000 0.794 387 P CB 0.970 32.209 31.700 -0.768 0.000 0.955 388 F N 1.376 121.268 119.950 -0.096 0.000 2.604 388 F HA -0.013 4.514 4.527 0.000 0.000 0.298 388 F C 2.503 178.294 175.800 -0.015 0.000 1.131 388 F CA 1.211 59.224 58.000 0.021 0.000 1.457 388 F CB -0.963 38.056 39.000 0.031 0.000 1.095 388 F HN 0.350 nan 8.300 nan 0.000 0.574 389 A N -0.259 122.586 122.820 0.041 0.000 2.070 389 A HA 0.064 4.384 4.320 0.000 0.000 0.220 389 A C 2.172 179.761 177.584 0.008 0.000 1.159 389 A CA 1.495 53.543 52.037 0.018 0.000 0.656 389 A CB -0.797 18.178 19.000 -0.041 0.000 0.800 389 A HN 0.237 nan 8.150 nan 0.000 0.453 390 A N -0.723 122.040 122.820 -0.095 0.000 2.387 390 A HA 0.190 4.510 4.320 0.000 0.000 0.234 390 A C 0.697 178.467 177.584 0.310 0.000 1.253 390 A CA -0.264 51.773 52.037 0.000 0.000 0.894 390 A CB -0.266 18.551 19.000 -0.305 0.000 0.963 390 A HN 0.482 nan 8.150 nan 0.000 0.508 391 N N 0.322 119.233 118.700 0.352 0.000 2.444 391 N HA 0.122 4.862 4.740 0.000 0.000 0.271 391 N C 0.512 176.174 175.510 0.253 0.000 1.069 391 N CA 0.128 53.410 53.050 0.385 0.000 0.965 391 N CB 1.151 39.903 38.487 0.442 0.000 1.092 391 N HN 0.075 nan 8.380 nan 0.000 0.476 392 S N 3.520 119.349 115.700 0.214 0.000 2.370 392 S HA -0.155 4.315 4.470 0.000 0.000 0.226 392 S C 1.728 176.376 174.600 0.080 0.000 1.033 392 S CA 1.086 59.374 58.200 0.147 0.000 1.011 392 S CB -0.091 63.210 63.200 0.167 0.000 0.852 392 S HN 0.661 nan 8.310 nan 0.000 0.457 393 R N 0.778 121.315 120.500 0.061 0.000 2.075 393 R HA -0.007 4.333 4.340 0.000 0.000 0.232 393 R C 2.386 178.731 176.300 0.075 0.000 1.126 393 R CA 1.169 57.293 56.100 0.040 0.000 0.963 393 R CB -0.397 29.921 30.300 0.029 0.000 0.858 393 R HN 0.382 nan 8.270 nan 0.000 0.435 394 A N 0.858 123.757 122.820 0.131 0.000 1.898 394 A HA -0.179 4.141 4.320 0.000 0.000 0.216 394 A C 2.020 179.663 177.584 0.098 0.000 1.181 394 A CA 1.597 53.700 52.037 0.110 0.000 0.620 394 A CB -0.329 18.785 19.000 0.190 0.000 0.819 394 A HN 0.192 nan 8.150 nan 0.000 0.442 395 K N -0.339 120.130 120.400 0.115 0.000 2.097 395 K HA -0.051 4.269 4.320 0.000 0.000 0.205 395 K C 1.886 178.528 176.600 0.069 0.000 1.050 395 K CA 2.038 58.381 56.287 0.093 0.000 0.938 395 K CB -0.697 31.864 32.500 0.102 0.000 0.718 395 K HN 0.424 nan 8.250 nan 0.000 0.442 396 T N 1.010 115.600 114.554 0.061 0.000 2.821 396 T HA -0.036 4.314 4.350 0.000 0.000 0.267 396 T C 1.227 175.950 174.700 0.037 0.000 1.046 396 T CA 1.264 63.390 62.100 0.042 0.000 1.139 396 T CB -0.229 68.655 68.868 0.027 0.000 0.871 396 T HN 0.237 nan 8.240 nan 0.000 0.454 397 N N 1.092 119.818 118.700 0.044 0.000 2.494 397 N HA 0.199 4.939 4.740 0.000 0.000 0.182 397 N C 0.986 176.531 175.510 0.057 0.000 1.076 397 N CA 0.704 53.783 53.050 0.048 0.000 0.908 397 N CB -0.151 38.371 38.487 0.057 0.000 0.967 397 N HN 0.428 nan 8.380 nan 0.000 0.449 398 A N 1.041 123.896 122.820 0.058 0.000 2.800 398 A HA -0.192 4.129 4.320 0.000 0.000 0.292 398 A C -0.337 177.291 177.584 0.075 0.000 1.474 398 A CA 0.954 53.027 52.037 0.061 0.000 0.744 398 A CB -1.964 17.066 19.000 0.050 0.000 1.044 398 A HN 0.333 nan 8.150 nan 0.000 0.489 399 D N -0.272 120.172 120.400 0.074 0.000 2.337 399 D HA 0.458 5.098 4.640 0.000 0.000 0.238 399 D C 0.629 176.950 176.300 0.035 0.000 1.331 399 D CA 0.517 54.565 54.000 0.080 0.000 0.967 399 D CB 0.381 41.248 40.800 0.112 0.000 1.382 399 D HN 0.630 nan 8.370 nan 0.000 0.549 400 T N -0.886 113.701 114.554 0.055 0.000 3.200 400 T HA 0.250 4.600 4.350 0.000 0.000 0.284 400 T C 0.276 175.030 174.700 0.090 0.000 1.009 400 T CA -0.592 61.555 62.100 0.079 0.000 0.907 400 T CB 0.105 69.034 68.868 0.100 0.000 1.120 400 T HN 0.056 nan 8.240 nan 0.000 0.534 401 D N 2.061 122.489 120.400 0.046 0.000 2.400 401 D HA 0.471 5.111 4.640 0.000 0.000 0.238 401 D C 1.208 177.579 176.300 0.118 0.000 1.157 401 D CA 1.605 55.646 54.000 0.068 0.000 0.889 401 D CB 0.865 41.698 40.800 0.055 0.000 1.199 401 D HN 0.627 nan 8.370 nan 0.000 0.436 402 G N 0.066 108.955 108.800 0.148 0.000 2.660 402 G HA2 0.057 4.017 3.960 0.000 0.000 0.215 402 G HA3 0.057 4.017 3.960 0.000 0.000 0.215 402 G C -0.469 174.592 174.900 0.269 0.000 1.345 402 G CA 0.061 45.292 45.100 0.218 0.000 0.877 402 G HN 0.788 nan 8.290 nan 0.000 0.549 403 M N -3.282 116.472 119.600 0.258 0.000 2.895 403 M HA 0.740 5.220 4.480 0.000 0.000 0.271 403 M C -1.313 174.992 176.300 0.008 0.000 1.174 403 M CA -1.187 54.108 55.300 -0.008 0.000 0.816 403 M CB 1.720 34.282 32.600 -0.065 0.000 1.647 403 M HN 1.046 nan 8.290 nan 0.000 0.506 404 V N 1.658 121.504 119.914 -0.114 0.000 2.459 404 V HA 0.632 4.752 4.120 0.000 0.000 0.295 404 V C -0.739 175.391 176.094 0.059 0.000 1.029 404 V CA -0.450 61.867 62.300 0.029 0.000 0.874 404 V CB 1.774 33.608 31.823 0.019 0.000 0.985 404 V HN 0.774 nan 8.190 nan 0.000 0.438 405 K N 5.306 125.779 120.400 0.122 0.000 2.463 405 K HA 0.574 4.894 4.320 0.000 0.000 0.255 405 K C -1.622 175.075 176.600 0.162 0.000 0.942 405 K CA -0.624 55.732 56.287 0.115 0.000 0.814 405 K CB 1.354 33.909 32.500 0.092 0.000 1.122 405 K HN 0.463 nan 8.250 nan 0.000 0.425 406 I N 5.518 126.149 120.570 0.102 0.000 2.441 406 I HA 0.361 4.531 4.170 0.000 0.000 0.295 406 I C -0.366 175.818 176.117 0.111 0.000 0.994 406 I CA -0.976 60.376 61.300 0.088 0.000 1.144 406 I CB 1.567 39.553 38.000 -0.022 0.000 1.314 406 I HN 0.617 nan 8.210 nan 0.000 0.445 407 L N 5.223 126.521 121.223 0.124 0.000 2.298 407 L HA 0.662 5.002 4.340 0.000 0.000 0.284 407 L C 0.377 177.314 176.870 0.112 0.000 1.013 407 L CA -0.403 54.514 54.840 0.127 0.000 0.824 407 L CB 1.825 43.912 42.059 0.047 0.000 1.221 407 L HN 0.684 nan 8.230 nan 0.000 0.418 408 G N 1.713 110.597 108.800 0.139 0.000 2.448 408 G HA2 0.444 4.404 3.960 0.000 0.000 0.324 408 G HA3 0.444 4.404 3.960 0.000 0.000 0.324 408 G C -1.153 173.827 174.900 0.133 0.000 1.203 408 G CA -0.440 44.725 45.100 0.107 0.000 0.954 408 G HN 0.519 nan 8.290 nan 0.000 0.480 409 Q N 0.435 120.297 119.800 0.103 0.000 2.311 409 Q HA 0.150 4.490 4.340 0.000 0.000 0.272 409 Q C 1.531 177.578 176.000 0.077 0.000 1.012 409 Q CA -0.169 55.695 55.803 0.102 0.000 0.891 409 Q CB 1.028 29.812 28.738 0.077 0.000 1.201 409 Q HN 0.584 nan 8.270 nan 0.000 0.391 410 K N 1.633 122.075 120.400 0.070 0.000 2.026 410 K HA -0.189 4.131 4.320 0.000 0.000 0.208 410 K C 1.797 178.413 176.600 0.026 0.000 1.048 410 K CA 2.194 58.500 56.287 0.032 0.000 0.929 410 K CB -0.116 32.388 32.500 0.007 0.000 0.713 410 K HN 0.711 nan 8.250 nan 0.000 0.439 411 S N -1.171 114.547 115.700 0.030 0.000 2.368 411 S HA -0.122 4.348 4.470 0.000 0.000 0.224 411 S C 1.971 176.587 174.600 0.027 0.000 1.029 411 S CA 1.442 59.657 58.200 0.025 0.000 0.988 411 S CB -0.726 62.490 63.200 0.026 0.000 0.838 411 S HN 0.524 nan 8.310 nan 0.000 0.462 412 T N -3.238 111.336 114.554 0.035 0.000 3.010 412 T HA 0.266 4.616 4.350 0.000 0.000 0.257 412 T C 0.438 175.160 174.700 0.038 0.000 1.020 412 T CA 0.624 62.745 62.100 0.035 0.000 0.938 412 T CB -0.151 68.740 68.868 0.037 0.000 1.049 412 T HN 0.279 nan 8.240 nan 0.000 0.522 413 D N 0.834 121.259 120.400 0.041 0.000 3.079 413 D HA -0.194 4.446 4.640 0.000 0.000 0.214 413 D C 0.215 176.542 176.300 0.045 0.000 1.145 413 D CA 0.731 54.756 54.000 0.042 0.000 0.958 413 D CB -1.362 39.460 40.800 0.037 0.000 1.117 413 D HN 0.711 nan 8.370 nan 0.000 0.416 414 R N -0.077 120.454 120.500 0.051 0.000 2.570 414 R HA 0.295 4.635 4.340 0.000 0.000 0.277 414 R C -0.208 176.127 176.300 0.060 0.000 1.039 414 R CA -0.226 55.908 56.100 0.056 0.000 1.065 414 R CB 0.610 30.944 30.300 0.057 0.000 0.964 414 R HN -0.017 nan 8.270 nan 0.000 0.428 415 V N 7.531 127.481 119.914 0.060 0.000 2.479 415 V HA -0.007 4.113 4.120 0.000 0.000 0.281 415 V C 1.177 177.312 176.094 0.068 0.000 1.031 415 V CA 0.267 62.604 62.300 0.062 0.000 1.038 415 V CB 0.971 32.834 31.823 0.068 0.000 0.981 415 V HN 0.822 nan 8.190 nan 0.000 0.478 416 L N 3.855 125.117 121.223 0.065 0.000 2.537 416 L HA 0.502 4.842 4.340 0.000 0.000 0.224 416 L C 1.027 177.931 176.870 0.056 0.000 1.065 416 L CA 0.630 55.504 54.840 0.057 0.000 0.860 416 L CB 0.342 42.428 42.059 0.045 0.000 1.086 416 L HN 0.789 nan 8.230 nan 0.000 0.482 417 G N -0.129 108.710 108.800 0.065 0.000 2.742 417 G HA2 0.674 4.634 3.960 0.000 0.000 0.296 417 G HA3 0.674 4.634 3.960 0.000 0.000 0.296 417 G C -1.950 172.963 174.900 0.022 0.000 1.436 417 G CA -0.052 45.074 45.100 0.042 0.000 0.928 417 G HN -0.011 nan 8.290 nan 0.000 0.520 418 A N 1.858 124.593 122.820 -0.142 0.000 2.359 418 A HA 0.841 5.161 4.320 0.000 0.000 0.303 418 A C -1.080 176.355 177.584 -0.248 0.000 1.066 418 A CA -0.711 51.326 52.037 0.001 0.000 0.730 418 A CB 1.213 20.354 19.000 0.235 0.000 1.211 418 A HN 0.743 nan 8.150 nan 0.000 0.439 419 H N 2.190 121.371 119.070 0.186 0.000 2.609 419 H HA 0.507 5.063 4.556 0.000 0.000 0.344 419 H C -1.344 174.078 175.328 0.157 0.000 1.040 419 H CA -0.264 55.888 56.048 0.173 0.000 1.216 419 H CB 1.720 31.517 29.762 0.059 0.000 1.529 419 H HN 0.551 nan 8.280 nan 0.000 0.519 420 I N 4.093 124.811 120.570 0.248 0.000 2.447 420 I HA 0.127 4.297 4.170 0.000 0.000 0.287 420 I C -0.790 175.418 176.117 0.150 0.000 1.023 420 I CA -0.708 60.718 61.300 0.210 0.000 1.083 420 I CB 2.225 40.331 38.000 0.177 0.000 1.245 420 I HN 0.198 nan 8.210 nan 0.000 0.434 421 L N 7.004 128.331 121.223 0.174 0.000 2.316 421 L HA 0.987 5.327 4.340 0.000 0.000 0.280 421 L C -0.034 176.920 176.870 0.140 0.000 1.006 421 L CA 0.410 55.295 54.840 0.076 0.000 0.836 421 L CB 0.872 42.968 42.059 0.063 0.000 1.221 421 L HN 0.806 nan 8.230 nan 0.000 0.418 422 G N 4.327 113.092 108.800 -0.059 0.000 2.362 422 G HA2 0.143 4.103 3.960 0.000 0.000 0.288 422 G HA3 0.143 4.103 3.960 0.000 0.000 0.288 422 G C -3.366 171.232 174.900 -0.503 0.000 1.305 422 G CA -0.615 44.300 45.100 -0.309 0.000 0.910 422 G HN 0.469 nan 8.290 nan 0.000 0.518 423 P HA 0.355 nan 4.420 nan 0.000 0.268 423 P C 1.003 178.060 177.300 -0.404 0.000 1.204 423 P CA 1.773 64.555 63.100 -0.531 0.000 0.768 423 P CB 0.932 32.354 31.700 -0.463 0.000 0.842 424 G N 2.725 111.390 108.800 -0.225 0.000 2.155 424 G HA2 -0.329 3.631 3.960 0.000 0.000 0.257 424 G HA3 -0.329 3.631 3.960 0.000 0.000 0.257 424 G C 1.076 175.908 174.900 -0.113 0.000 0.983 424 G CA 0.465 45.489 45.100 -0.127 0.000 0.676 424 G HN 0.705 nan 8.290 nan 0.000 0.528 425 A N 0.117 122.849 122.820 -0.148 0.000 1.883 425 A HA 0.239 4.559 4.320 0.000 0.000 0.217 425 A C 2.876 180.355 177.584 -0.175 0.000 1.186 425 A CA 2.371 54.339 52.037 -0.116 0.000 0.624 425 A CB -1.095 17.831 19.000 -0.124 0.000 0.822 425 A HN 1.657 nan 8.150 nan 0.000 0.444 426 G N -0.502 108.154 108.800 -0.240 0.000 2.469 426 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 426 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 426 G C 1.410 176.204 174.900 -0.177 0.000 1.150 426 G CA 1.148 46.078 45.100 -0.283 0.000 0.763 426 G HN 0.512 nan 8.290 nan 0.000 0.561 427 E N -0.232 119.897 120.200 -0.118 0.000 2.112 427 E HA 0.016 4.366 4.350 0.000 0.000 0.190 427 E C 2.360 178.883 176.600 -0.129 0.000 0.979 427 E CA 0.348 56.691 56.400 -0.094 0.000 0.814 427 E CB -0.376 29.293 29.700 -0.053 0.000 0.762 427 E HN 0.505 nan 8.360 nan 0.000 0.460 428 M N 0.687 120.202 119.600 -0.140 0.000 2.213 428 M HA -0.097 4.383 4.480 0.000 0.000 0.263 428 M C 2.135 178.231 176.300 -0.341 0.000 1.062 428 M CA 0.836 56.010 55.300 -0.210 0.000 1.105 428 M CB 0.086 32.604 32.600 -0.136 0.000 1.385 428 M HN -0.052 nan 8.290 nan 0.000 0.417 429 V N 1.300 121.056 119.914 -0.262 0.000 2.913 429 V HA -0.218 3.902 4.120 0.000 0.000 0.260 429 V C 1.614 177.568 176.094 -0.234 0.000 1.098 429 V CA 1.610 63.754 62.300 -0.260 0.000 1.121 429 V CB -0.821 30.871 31.823 -0.219 0.000 0.714 429 V HN 0.557 nan 8.190 nan 0.000 0.487 430 N N 0.179 118.753 118.700 -0.210 0.000 2.354 430 N HA -0.152 4.588 4.740 0.000 0.000 0.179 430 N C 1.764 177.196 175.510 -0.131 0.000 1.021 430 N CA 1.432 54.390 53.050 -0.154 0.000 0.887 430 N CB -0.028 38.382 38.487 -0.127 0.000 0.974 430 N HN 0.744 nan 8.380 nan 0.000 0.437 431 E N 1.238 121.323 120.200 -0.192 0.000 2.072 431 E HA -0.060 4.290 4.350 0.000 0.000 0.191 431 E C 1.855 178.406 176.600 -0.082 0.000 0.985 431 E CA 0.878 57.198 56.400 -0.135 0.000 0.801 431 E CB 0.034 29.616 29.700 -0.198 0.000 0.750 431 E HN 0.243 nan 8.360 nan 0.000 0.452 432 A N 1.319 123.993 122.820 -0.243 0.000 1.902 432 A HA -0.073 4.247 4.320 0.000 0.000 0.217 432 A C 2.429 180.043 177.584 0.049 0.000 1.181 432 A CA 1.749 53.799 52.037 0.021 0.000 0.623 432 A CB -0.812 18.171 19.000 -0.029 0.000 0.818 432 A HN 0.430 nan 8.150 nan 0.000 0.443 433 A N -0.515 122.286 122.820 -0.031 0.000 1.933 433 A HA -0.022 4.298 4.320 0.000 0.000 0.218 433 A C 2.133 179.716 177.584 -0.002 0.000 1.175 433 A CA 1.692 53.716 52.037 -0.022 0.000 0.628 433 A CB -0.590 18.373 19.000 -0.062 0.000 0.814 433 A HN 0.708 nan 8.150 nan 0.000 0.444 434 L N -0.190 121.041 121.223 0.014 0.000 2.017 434 L HA -0.060 4.280 4.340 0.000 0.000 0.208 434 L C 2.672 179.625 176.870 0.138 0.000 1.073 434 L CA 2.221 57.090 54.840 0.049 0.000 0.745 434 L CB -0.819 41.297 42.059 0.095 0.000 0.894 434 L HN 0.340 nan 8.230 nan 0.000 0.432 435 A N -0.475 122.453 122.820 0.180 0.000 1.873 435 A HA -0.240 4.080 4.320 0.000 0.000 0.218 435 A C 2.194 179.883 177.584 0.174 0.000 1.193 435 A CA 2.281 54.452 52.037 0.223 0.000 0.629 435 A CB -1.096 18.050 19.000 0.242 0.000 0.826 435 A HN 0.444 nan 8.150 nan 0.000 0.447 436 L N -0.056 121.235 121.223 0.114 0.000 2.042 436 L HA -0.168 4.173 4.340 0.000 0.000 0.210 436 L C 2.488 179.380 176.870 0.036 0.000 1.076 436 L CA 1.859 56.745 54.840 0.076 0.000 0.749 436 L CB -0.685 41.407 42.059 0.055 0.000 0.893 436 L HN 0.384 nan 8.230 nan 0.000 0.432 437 E N -1.249 118.932 120.200 -0.031 0.000 2.160 437 E HA -0.225 4.125 4.350 0.000 0.000 0.195 437 E C 1.910 178.399 176.600 -0.185 0.000 0.991 437 E CA 1.334 57.646 56.400 -0.147 0.000 0.810 437 E CB -0.174 29.357 29.700 -0.282 0.000 0.742 437 E HN 0.539 nan 8.360 nan 0.000 0.466 438 Y N -0.354 119.970 120.300 0.039 0.000 2.466 438 Y HA 0.204 4.754 4.550 0.000 0.000 0.272 438 Y C 1.587 177.509 175.900 0.038 0.000 1.169 438 Y CA 0.490 58.612 58.100 0.037 0.000 1.285 438 Y CB 0.429 38.909 38.460 0.035 0.000 1.078 438 Y HN 0.101 nan 8.280 nan 0.000 0.523 439 G N 0.542 109.441 108.800 0.163 0.000 2.198 439 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 439 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 439 G C 0.475 175.448 174.900 0.121 0.000 1.025 439 G CA 0.034 45.206 45.100 0.119 0.000 0.769 439 G HN 0.637 nan 8.290 nan 0.000 0.507 440 A N -0.117 122.792 122.820 0.149 0.000 2.507 440 A HA 0.629 4.949 4.320 0.000 0.000 0.235 440 A C 1.149 178.780 177.584 0.079 0.000 1.070 440 A CA 1.032 53.138 52.037 0.114 0.000 0.768 440 A CB 0.264 19.348 19.000 0.139 0.000 1.011 440 A HN 2.068 nan 8.150 nan 0.000 0.502 441 S N 0.298 116.030 115.700 0.054 0.000 2.713 441 S HA 0.282 4.752 4.470 0.000 0.000 0.283 441 S C 1.064 175.676 174.600 0.020 0.000 1.161 441 S CA -0.169 58.054 58.200 0.039 0.000 0.999 441 S CB 0.793 64.012 63.200 0.031 0.000 1.039 441 S HN 0.713 nan 8.310 nan 0.000 0.548 442 C N 0.630 119.934 119.300 0.008 0.000 2.429 442 C HA -0.043 4.417 4.460 0.000 0.000 0.277 442 C C 2.723 177.695 174.990 -0.029 0.000 1.262 442 C CA 1.170 60.171 59.018 -0.029 0.000 1.733 442 C CB -1.553 26.178 27.740 -0.016 0.000 2.010 442 C HN 1.093 nan 8.230 nan 0.000 0.483 443 E N 0.935 121.134 120.200 -0.001 0.000 2.077 443 E HA -0.234 4.116 4.350 0.000 0.000 0.193 443 E C 1.512 178.110 176.600 -0.004 0.000 0.989 443 E CA 1.473 57.873 56.400 -0.000 0.000 0.800 443 E CB -0.136 29.572 29.700 0.014 0.000 0.746 443 E HN 0.532 nan 8.360 nan 0.000 0.452 444 D N 0.499 120.903 120.400 0.007 0.000 2.116 444 D HA -0.204 4.436 4.640 0.000 0.000 0.193 444 D C 2.028 178.345 176.300 0.028 0.000 0.998 444 D CA 1.264 55.272 54.000 0.013 0.000 0.836 444 D CB -0.266 40.547 40.800 0.021 0.000 0.951 444 D HN 0.335 nan 8.370 nan 0.000 0.449 445 I N 0.990 121.577 120.570 0.028 0.000 2.202 445 I HA -0.227 3.943 4.170 0.000 0.000 0.242 445 I C 2.513 178.663 176.117 0.055 0.000 1.091 445 I CA 0.968 62.308 61.300 0.067 0.000 1.368 445 I CB -0.294 37.684 38.000 -0.037 0.000 1.058 445 I HN -0.083 nan 8.210 nan 0.000 0.410 446 A N 0.890 123.686 122.820 -0.040 0.000 1.978 446 A HA -0.201 4.119 4.320 0.000 0.000 0.220 446 A C 2.319 179.890 177.584 -0.021 0.000 1.170 446 A CA 1.599 53.595 52.037 -0.069 0.000 0.636 446 A CB -0.548 18.406 19.000 -0.077 0.000 0.810 446 A HN 0.386 nan 8.150 nan 0.000 0.448 447 R N -1.000 119.502 120.500 0.004 0.000 2.300 447 R HA 0.176 4.516 4.340 0.000 0.000 0.199 447 R C -0.265 176.057 176.300 0.038 0.000 0.920 447 R CA -0.125 55.979 56.100 0.005 0.000 1.046 447 R CB 0.085 30.378 30.300 -0.012 0.000 0.984 447 R HN 0.308 nan 8.270 nan 0.000 0.493 448 V N 1.393 121.360 119.914 0.087 0.000 2.555 448 V HA -0.044 4.076 4.120 0.000 0.000 0.286 448 V C 0.517 176.688 176.094 0.129 0.000 1.044 448 V CA -0.599 61.739 62.300 0.063 0.000 1.026 448 V CB 1.264 33.100 31.823 0.022 0.000 0.981 448 V HN 0.313 nan 8.190 nan 0.000 0.480 449 C N 7.300 126.624 119.300 0.040 0.000 2.619 449 C HA 0.316 4.776 4.460 0.000 0.000 0.389 449 C C 0.437 175.461 174.990 0.056 0.000 1.314 449 C CA -0.440 58.619 59.018 0.068 0.000 1.678 449 C CB -1.802 25.951 27.740 0.022 0.000 2.398 449 C HN 0.895 nan 8.230 nan 0.000 0.582 450 H N 3.353 122.437 119.070 0.023 0.000 2.481 450 H HA 0.528 5.084 4.556 0.000 0.000 0.339 450 H C 0.623 175.983 175.328 0.054 0.000 1.131 450 H CA 0.578 56.651 56.048 0.041 0.000 1.301 450 H CB 1.155 30.947 29.762 0.050 0.000 1.476 450 H HN 0.883 nan 8.280 nan 0.000 0.529 451 A N 2.032 124.941 122.820 0.150 0.000 2.498 451 A HA 0.170 4.490 4.320 0.000 0.000 0.239 451 A C -0.407 177.272 177.584 0.158 0.000 1.068 451 A CA 0.164 52.273 52.037 0.120 0.000 0.766 451 A CB -0.299 18.743 19.000 0.069 0.000 1.003 451 A HN 0.861 nan 8.150 nan 0.000 0.497 452 H N 2.215 121.317 119.070 0.053 0.000 2.489 452 H HA 0.647 5.203 4.556 0.000 0.000 0.343 452 H C -2.468 172.887 175.328 0.044 0.000 1.086 452 H CA -1.612 54.466 56.048 0.049 0.000 1.198 452 H CB 1.446 31.231 29.762 0.038 0.000 1.490 452 H HN 0.539 nan 8.280 nan 0.000 0.504 453 P HA 0.289 nan 4.420 nan 0.000 0.301 453 P C -1.345 175.852 177.300 -0.172 0.000 1.338 453 P CA -0.618 62.099 63.100 -0.639 0.000 0.834 453 P CB 1.673 32.961 31.700 -0.687 0.000 0.967 454 T N -0.994 113.534 114.554 -0.043 0.000 2.896 454 T HA 0.366 4.716 4.350 0.000 0.000 0.297 454 T C 1.155 175.914 174.700 0.097 0.000 1.108 454 T CA -0.915 61.207 62.100 0.037 0.000 1.004 454 T CB 0.958 69.868 68.868 0.070 0.000 1.159 454 T HN 0.106 nan 8.240 nan 0.000 0.499 455 L N 1.438 122.737 121.223 0.127 0.000 2.131 455 L HA -0.070 4.271 4.340 0.000 0.000 0.210 455 L C 3.055 180.076 176.870 0.252 0.000 1.092 455 L CA 1.637 56.621 54.840 0.240 0.000 0.759 455 L CB -0.625 41.538 42.059 0.174 0.000 0.903 455 L HN 0.967 nan 8.230 nan 0.000 0.435 456 S N -0.507 115.298 115.700 0.175 0.000 2.442 456 S HA -0.211 4.259 4.470 0.000 0.000 0.236 456 S C 1.616 176.273 174.600 0.096 0.000 1.007 456 S CA 1.113 59.428 58.200 0.192 0.000 0.965 456 S CB -0.335 63.023 63.200 0.264 0.000 0.773 456 S HN 0.504 nan 8.310 nan 0.000 0.504 457 E N 1.248 121.469 120.200 0.035 0.000 2.265 457 E HA -0.037 4.313 4.350 0.000 0.000 0.196 457 E C 2.284 178.703 176.600 -0.303 0.000 0.996 457 E CA 0.872 57.196 56.400 -0.128 0.000 0.832 457 E CB -0.362 29.325 29.700 -0.022 0.000 0.756 457 E HN 0.793 nan 8.360 nan 0.000 0.491 458 A N 0.755 123.459 122.820 -0.193 0.000 1.929 458 A HA -0.151 4.169 4.320 0.000 0.000 0.216 458 A C 1.880 179.299 177.584 -0.274 0.000 1.176 458 A CA 0.735 52.545 52.037 -0.379 0.000 0.628 458 A CB -0.498 18.246 19.000 -0.426 0.000 0.816 458 A HN 0.323 nan 8.150 nan 0.000 0.444 459 F N 0.602 120.409 119.950 -0.239 0.000 2.146 459 F HA -0.073 4.454 4.527 0.000 0.000 0.298 459 F C 2.304 177.960 175.800 -0.241 0.000 1.096 459 F CA 1.744 59.649 58.000 -0.159 0.000 1.275 459 F CB -0.245 38.724 39.000 -0.052 0.000 1.008 459 F HN 0.202 nan 8.300 nan 0.000 0.480 460 R N 0.353 120.628 120.500 -0.375 0.000 2.081 460 R HA -0.143 4.197 4.340 0.000 0.000 0.235 460 R C 2.139 178.177 176.300 -0.436 0.000 1.131 460 R CA 1.749 57.512 56.100 -0.562 0.000 0.960 460 R CB -0.357 29.440 30.300 -0.838 0.000 0.856 460 R HN 0.295 nan 8.270 nan 0.000 0.436 461 E N 0.056 119.955 120.200 -0.502 0.000 2.107 461 E HA -0.130 4.220 4.350 0.000 0.000 0.191 461 E C 1.860 178.313 176.600 -0.246 0.000 0.982 461 E CA 1.061 57.163 56.400 -0.496 0.000 0.809 461 E CB -0.039 28.953 29.700 -1.179 0.000 0.756 461 E HN 0.451 nan 8.360 nan 0.000 0.459 462 A N 1.835 124.523 122.820 -0.220 0.000 1.933 462 A HA -0.169 4.151 4.320 0.000 0.000 0.218 462 A C 1.942 179.453 177.584 -0.121 0.000 1.175 462 A CA 1.156 53.153 52.037 -0.066 0.000 0.628 462 A CB -0.384 18.582 19.000 -0.056 0.000 0.814 462 A HN 0.154 nan 8.150 nan 0.000 0.444 463 N N -0.393 118.151 118.700 -0.260 0.000 2.188 463 N HA -0.114 4.626 4.740 0.000 0.000 0.184 463 N C 1.669 177.113 175.510 -0.110 0.000 1.018 463 N CA 1.400 54.312 53.050 -0.230 0.000 0.858 463 N CB -0.262 38.003 38.487 -0.370 0.000 0.989 463 N HN 0.411 nan 8.380 nan 0.000 0.426 464 L N 1.581 122.740 121.223 -0.107 0.000 2.046 464 L HA -0.024 4.316 4.340 0.000 0.000 0.208 464 L C 2.216 179.130 176.870 0.073 0.000 1.077 464 L CA 1.506 56.330 54.840 -0.028 0.000 0.747 464 L CB -0.945 41.078 42.059 -0.061 0.000 0.896 464 L HN 0.053 nan 8.230 nan 0.000 0.432 465 A N -0.473 122.389 122.820 0.071 0.000 1.902 465 A HA -0.114 4.206 4.320 0.000 0.000 0.217 465 A C 2.443 180.076 177.584 0.082 0.000 1.181 465 A CA 1.894 54.001 52.037 0.117 0.000 0.623 465 A CB -1.163 17.921 19.000 0.140 0.000 0.818 465 A HN 0.578 nan 8.150 nan 0.000 0.443 466 A N -1.081 121.768 122.820 0.048 0.000 1.930 466 A HA -0.052 4.268 4.320 0.000 0.000 0.217 466 A C 2.469 180.081 177.584 0.047 0.000 1.175 466 A CA 2.120 54.182 52.037 0.042 0.000 0.627 466 A CB -0.801 18.215 19.000 0.026 0.000 0.815 466 A HN 0.541 nan 8.150 nan 0.000 0.443 467 S N -1.844 113.890 115.700 0.057 0.000 2.335 467 S HA -0.063 4.407 4.470 0.000 0.000 0.217 467 S C 1.675 176.356 174.600 0.135 0.000 1.032 467 S CA 1.495 59.742 58.200 0.078 0.000 0.985 467 S CB -0.380 62.860 63.200 0.066 0.000 0.896 467 S HN 0.582 nan 8.310 nan 0.000 0.445 468 F N 0.715 120.659 119.950 -0.011 0.000 2.530 468 F HA 0.366 4.893 4.527 0.000 0.000 0.292 468 F C 1.564 177.362 175.800 -0.003 0.000 1.109 468 F CA 1.208 59.204 58.000 -0.008 0.000 1.450 468 F CB 0.305 39.299 39.000 -0.010 0.000 1.114 468 F HN 0.424 nan 8.300 nan 0.000 0.560 469 G N 0.818 109.618 108.800 -0.000 0.000 2.278 469 G HA2 -0.190 3.770 3.960 0.000 0.000 0.210 469 G HA3 -0.190 3.770 3.960 0.000 0.000 0.210 469 G C 0.209 175.109 174.900 0.001 0.000 1.000 469 G CA -0.007 45.040 45.100 -0.089 0.000 0.635 469 G HN 0.382 nan 8.290 nan 0.000 0.495 470 K N 0.748 121.234 120.400 0.143 0.000 2.498 470 K HA 0.626 4.946 4.320 0.000 0.000 0.254 470 K C 0.044 176.810 176.600 0.276 0.000 0.933 470 K CA -0.119 56.288 56.287 0.201 0.000 0.806 470 K CB 2.306 34.923 32.500 0.195 0.000 1.301 470 K HN 0.397 nan 8.250 nan 0.000 0.432 471 S N 1.629 117.467 115.700 0.230 0.000 2.713 471 S HA 0.368 4.838 4.470 0.000 0.000 0.277 471 S C 1.122 175.833 174.600 0.185 0.000 1.168 471 S CA -0.785 57.538 58.200 0.205 0.000 0.994 471 S CB 0.561 63.959 63.200 0.331 0.000 1.054 471 S HN 0.452 nan 8.310 nan 0.000 0.555 472 I N 0.985 121.633 120.570 0.130 0.000 2.339 472 I HA -0.003 4.167 4.170 0.000 0.000 0.245 472 I C 1.409 177.630 176.117 0.172 0.000 1.096 472 I CA 0.928 62.291 61.300 0.105 0.000 1.408 472 I CB -1.383 36.635 38.000 0.031 0.000 1.092 472 I HN 0.646 nan 8.210 nan 0.000 0.423 473 N N -0.160 118.721 118.700 0.301 0.000 2.314 473 N HA 0.082 4.822 4.740 0.000 0.000 0.200 473 N C -0.186 175.581 175.510 0.428 0.000 1.135 473 N CA 0.170 53.443 53.050 0.372 0.000 0.835 473 N CB 0.768 39.518 38.487 0.438 0.000 0.989 473 N HN 0.176 nan 8.380 nan 0.000 0.478 474 F N 0.000 120.056 119.950 0.177 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 474 F CB 0.000 38.833 39.000 -0.278 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574