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 3ky9_1_A DATA FIRST_RESID 2 DATA SEQUENCE ELWRQCTHWL IQCRVLPPSH RVTWEGAQVC ELAQALRDGV LLCQLLNNLL DATA SEQUENCE PHAINLREVN LRPQMSQFLC LKNIRTFLST CCEKFGLKRS ELFEAFDLFD DATA SEQUENCE VQDFGKVIYT LSALSWTPIA QNRGIMPFXX XXXXXXXXXX YSGLSDQIDX DATA SEQUENCE XXXXDEDLYD CVENEEAEGD EIYEDLMRSX XXXXXXXMTE YDKRCCCLRE DATA SEQUENCE IQQTEEKYTD TLGSIQQHFL KPLQRFLKPQ DIEIIFINIE DLLRVHTHFL DATA SEQUENCE KEMKEALGTP GAANLYQVFI KYKERFLVYG RYCSQVESAS KHLDRVAAAR DATA SEQUENCE EDVQMKLEEC SQRANNGRFT LRDLLMVPMQ RVLKYHLLLQ ELVKHTQEAM DATA SEQUENCE EKENLRLALD AMRDLAQCVN EVKRDNETLR QITNFQLSIE NLDQSLAHYG DATA SEQUENCE RPKIDGELKI TSVERRSKMD RYAFLLDKAL LICKRRGDSY DLKDFVNLHS DATA SEQUENCE FQVRDDXXXX XDNKKWSHMF LLIEDQGXXX YELFFKTREL KKKWMEQFEM DATA SEQUENCE AISNIYPENA TANGHDFQMF SFEETTSCKA cQMLLRGTFY QGYRCHRCRA DATA SEQUENCE SAHKEcLGRV PPC 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.546 176.600 -0.090 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.065 0.000 0.976 2 E CB 0.000 29.646 29.700 -0.090 0.000 0.812 3 L N 0.927 122.196 121.223 0.076 0.000 2.270 3 L HA 0.097 4.437 4.340 -0.000 0.000 0.210 3 L C 2.090 179.071 176.870 0.184 0.000 1.104 3 L CA 1.008 55.952 54.840 0.173 0.000 0.804 3 L CB -0.261 41.970 42.059 0.287 0.000 0.937 3 L HN 0.685 nan 8.230 nan 0.000 0.450 4 W N -0.826 120.585 121.300 0.184 0.000 2.467 4 W HA -0.056 4.604 4.660 -0.000 0.000 0.275 4 W C 1.604 178.163 176.519 0.066 0.000 1.239 4 W CA -0.052 57.395 57.345 0.169 0.000 1.266 4 W CB -0.899 28.735 29.460 0.289 0.000 1.112 4 W HN 0.028 nan 8.180 nan 0.000 0.576 5 R N 1.224 121.121 120.500 -1.004 0.000 2.115 5 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 5 R C 2.184 178.252 176.300 -0.387 0.000 1.111 5 R CA 1.383 56.946 56.100 -0.894 0.000 0.976 5 R CB -0.821 28.975 30.300 -0.840 0.000 0.870 5 R HN 0.459 nan 8.270 nan 0.000 0.445 6 Q N -0.616 119.000 119.800 -0.306 0.000 2.083 6 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 6 Q C 2.340 177.956 176.000 -0.641 0.000 0.969 6 Q CA 1.328 56.957 55.803 -0.290 0.000 0.838 6 Q CB -0.205 28.478 28.738 -0.091 0.000 0.900 6 Q HN 0.302 nan 8.270 nan 0.000 0.436 7 C N 0.207 118.992 119.300 -0.858 0.000 2.413 7 C HA -0.207 4.253 4.460 -0.000 0.000 0.277 7 C C 2.691 177.555 174.990 -0.210 0.000 1.228 7 C CA 1.704 60.177 59.018 -0.909 0.000 1.731 7 C CB -0.971 26.637 27.740 -0.220 0.000 2.042 7 C HN 0.576 nan 8.230 nan 0.000 0.468 8 T N -0.655 113.866 114.554 -0.055 0.000 2.570 8 T HA -0.286 4.063 4.350 -0.000 0.000 0.266 8 T C 1.774 176.483 174.700 0.015 0.000 1.071 8 T CA 2.096 64.217 62.100 0.035 0.000 1.172 8 T CB -0.894 67.996 68.868 0.036 0.000 0.864 8 T HN 0.708 nan 8.240 nan 0.000 0.421 9 H N -1.159 117.856 119.070 -0.092 0.000 2.357 9 H HA -0.189 4.366 4.556 -0.000 0.000 0.296 9 H C 2.305 177.636 175.328 0.005 0.000 1.108 9 H CA 2.362 58.379 56.048 -0.051 0.000 1.273 9 H CB -0.401 29.325 29.762 -0.061 0.000 1.367 9 H HN 0.575 nan 8.280 nan 0.000 0.498 10 W N 1.326 122.562 121.300 -0.107 0.000 2.381 10 W HA -0.104 4.556 4.660 -0.000 0.000 0.301 10 W C 2.373 178.856 176.519 -0.061 0.000 1.205 10 W CA 1.049 58.356 57.345 -0.063 0.000 1.285 10 W CB -0.644 28.797 29.460 -0.032 0.000 1.133 10 W HN 0.109 nan 8.180 nan 0.000 0.521 11 L N 0.248 121.455 121.223 -0.027 0.000 2.083 11 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 11 L C 2.380 179.106 176.870 -0.240 0.000 1.083 11 L CA 1.299 56.026 54.840 -0.187 0.000 0.752 11 L CB -0.682 41.377 42.059 0.000 0.000 0.899 11 L HN 0.017 nan 8.230 nan 0.000 0.433 12 I N -0.949 119.504 120.570 -0.195 0.000 2.315 12 I HA -0.257 3.912 4.170 -0.000 0.000 0.248 12 I C 2.496 178.456 176.117 -0.262 0.000 1.117 12 I CA 0.803 61.979 61.300 -0.206 0.000 1.404 12 I CB -0.243 37.641 38.000 -0.194 0.000 1.071 12 I HN 0.317 nan 8.210 nan 0.000 0.419 13 Q N -0.042 119.555 119.800 -0.339 0.000 2.224 13 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 13 Q C 2.110 177.923 176.000 -0.313 0.000 0.970 13 Q CA 1.133 56.754 55.803 -0.304 0.000 0.865 13 Q CB -0.608 27.973 28.738 -0.261 0.000 0.922 13 Q HN 0.526 nan 8.270 nan 0.000 0.445 14 C N 0.268 119.301 119.300 -0.445 0.000 2.613 14 C HA 0.200 4.660 4.460 -0.000 0.000 0.273 14 C C 0.730 175.571 174.990 -0.247 0.000 1.304 14 C CA -0.309 58.460 59.018 -0.415 0.000 1.702 14 C CB -1.106 26.236 27.740 -0.662 0.000 1.792 14 C HN 0.554 nan 8.230 nan 0.000 0.588 15 R N -1.385 118.994 120.500 -0.202 0.000 3.770 15 R HA -0.158 4.182 4.340 -0.000 0.000 0.305 15 R C 0.687 176.917 176.300 -0.117 0.000 1.184 15 R CA 0.532 56.552 56.100 -0.133 0.000 0.823 15 R CB -2.194 28.047 30.300 -0.097 0.000 1.285 15 R HN 0.454 nan 8.270 nan 0.000 0.499 16 V N -0.326 119.502 119.914 -0.143 0.000 2.992 16 V HA 0.074 4.193 4.120 -0.000 0.000 0.250 16 V C 0.629 176.655 176.094 -0.113 0.000 1.090 16 V CA 0.999 63.230 62.300 -0.115 0.000 1.101 16 V CB 0.179 31.924 31.823 -0.129 0.000 0.743 16 V HN 0.184 nan 8.190 nan 0.000 0.468 17 L N 1.622 122.773 121.223 -0.121 0.000 2.349 17 L HA 0.569 4.908 4.340 -0.000 0.000 0.278 17 L C -2.667 174.144 176.870 -0.098 0.000 0.996 17 L CA -2.207 52.555 54.840 -0.130 0.000 0.825 17 L CB 1.640 43.646 42.059 -0.088 0.000 1.243 17 L HN -0.033 nan 8.230 nan 0.000 0.412 18 P HA 0.164 nan 4.420 nan 0.000 0.267 18 P C -2.150 175.157 177.300 0.011 0.000 1.209 18 P CA -1.036 62.041 63.100 -0.039 0.000 0.763 18 P CB 0.084 31.765 31.700 -0.030 0.000 0.816 19 P HA -0.089 nan 4.420 nan 0.000 0.242 19 P C 0.201 177.551 177.300 0.082 0.000 1.198 19 P CA 0.990 64.104 63.100 0.024 0.000 0.756 19 P CB -0.158 31.543 31.700 0.002 0.000 0.911 20 S N -3.102 112.668 115.700 0.116 0.000 2.663 20 S HA 0.091 4.560 4.470 -0.000 0.000 0.243 20 S C 0.462 175.224 174.600 0.269 0.000 1.009 20 S CA -0.613 57.712 58.200 0.209 0.000 0.988 20 S CB -0.791 62.510 63.200 0.169 0.000 0.896 20 S HN 0.233 nan 8.310 nan 0.000 0.502 21 H N 2.157 121.212 119.070 -0.026 0.000 2.482 21 H HA 0.316 4.872 4.556 -0.000 0.000 0.344 21 H C 1.666 176.559 175.328 -0.725 0.000 1.151 21 H CA -0.516 55.391 56.048 -0.234 0.000 1.300 21 H CB 1.080 30.723 29.762 -0.199 0.000 1.494 21 H HN 0.288 nan 8.280 nan 0.000 0.542 22 R N 2.446 121.839 120.500 -1.845 0.000 2.170 22 R HA -0.105 4.234 4.340 -0.000 0.000 0.242 22 R C 1.215 176.746 176.300 -1.282 0.000 1.145 22 R CA 1.932 56.579 56.100 -2.421 0.000 0.984 22 R CB -0.689 28.540 30.300 -1.785 0.000 0.869 22 R HN 0.403 nan 8.270 nan 0.000 0.455 23 V N -2.114 117.325 119.914 -0.791 0.000 3.510 23 V HA 0.031 4.151 4.120 -0.000 0.000 0.270 23 V C 1.471 177.493 176.094 -0.121 0.000 1.201 23 V CA 1.481 63.639 62.300 -0.237 0.000 1.166 23 V CB -0.158 31.677 31.823 0.020 0.000 0.825 23 V HN 0.211 nan 8.190 nan 0.000 0.484 24 T N -0.541 113.851 114.554 -0.270 0.000 3.031 24 T HA 0.116 4.466 4.350 -0.000 0.000 0.254 24 T C 0.484 175.264 174.700 0.133 0.000 1.060 24 T CA 0.054 62.130 62.100 -0.040 0.000 1.135 24 T CB -0.155 68.728 68.868 0.026 0.000 0.896 24 T HN 0.644 nan 8.240 nan 0.000 0.472 25 W N 3.302 124.603 121.300 0.001 0.000 2.170 25 W HA 0.318 4.977 4.660 -0.001 0.000 0.336 25 W C 0.402 176.931 176.519 0.017 0.000 1.283 25 W CA -1.587 55.758 57.345 -0.000 0.000 1.224 25 W CB -0.065 29.383 29.460 -0.020 0.000 1.132 25 W HN 0.091 nan 8.180 nan 0.000 0.571 26 E N 0.822 121.169 120.200 0.244 0.000 2.529 26 E HA 0.177 4.527 4.350 -0.000 0.000 0.259 26 E C 1.169 177.867 176.600 0.164 0.000 0.966 26 E CA 1.535 58.024 56.400 0.148 0.000 0.937 26 E CB 0.217 29.971 29.700 0.090 0.000 0.923 26 E HN 0.759 nan 8.360 nan 0.000 0.468 27 G N 2.253 111.138 108.800 0.141 0.000 2.259 27 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 27 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 27 G C 0.518 175.506 174.900 0.147 0.000 1.001 27 G CA -0.017 45.162 45.100 0.132 0.000 0.627 27 G HN 0.870 nan 8.290 nan 0.000 0.501 28 A N 1.308 124.231 122.820 0.173 0.000 2.600 28 A HA 0.404 4.724 4.320 -0.000 0.000 0.244 28 A C 0.854 178.560 177.584 0.202 0.000 1.016 28 A CA 1.007 53.135 52.037 0.153 0.000 0.778 28 A CB 0.140 19.243 19.000 0.171 0.000 0.920 28 A HN 0.481 nan 8.150 nan 0.000 0.513 29 Q N 1.574 121.378 119.800 0.006 0.000 2.317 29 Q HA 0.244 4.583 4.340 -0.000 0.000 0.229 29 Q C 1.679 177.337 176.000 -0.569 0.000 0.984 29 Q CA -0.355 55.360 55.803 -0.146 0.000 0.911 29 Q CB 0.853 29.496 28.738 -0.159 0.000 1.217 29 Q HN 0.532 nan 8.270 nan 0.000 0.501 30 V N 0.674 120.045 119.914 -0.904 0.000 2.343 30 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 30 V C 2.365 177.967 176.094 -0.820 0.000 1.051 30 V CA 2.184 63.631 62.300 -1.421 0.000 1.036 30 V CB -1.095 30.120 31.823 -1.012 0.000 0.654 30 V HN 1.007 nan 8.190 nan 0.000 0.451 31 C N 0.318 119.287 119.300 -0.552 0.000 2.403 31 C HA -0.195 4.264 4.460 -0.000 0.000 0.282 31 C C 2.340 177.099 174.990 -0.385 0.000 1.297 31 C CA 1.040 59.786 59.018 -0.452 0.000 1.785 31 C CB -1.433 26.124 27.740 -0.305 0.000 1.963 31 C HN 0.635 nan 8.230 nan 0.000 0.507 32 E N 0.533 120.533 120.200 -0.333 0.000 2.150 32 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 32 E C 2.058 178.549 176.600 -0.182 0.000 0.985 32 E CA 1.052 57.306 56.400 -0.244 0.000 0.814 32 E CB -0.206 29.351 29.700 -0.238 0.000 0.752 32 E HN 0.681 nan 8.360 nan 0.000 0.466 33 L N 0.850 121.955 121.223 -0.196 0.000 2.005 33 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 33 L C 2.211 179.029 176.870 -0.086 0.000 1.072 33 L CA 2.063 56.885 54.840 -0.030 0.000 0.744 33 L CB -0.657 41.477 42.059 0.126 0.000 0.895 33 L HN 0.042 nan 8.230 nan 0.000 0.433 34 A N -1.121 121.453 122.820 -0.411 0.000 1.940 34 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 34 A C 2.260 179.693 177.584 -0.253 0.000 1.176 34 A CA 1.760 53.481 52.037 -0.527 0.000 0.631 34 A CB -0.778 17.456 19.000 -1.276 0.000 0.814 34 A HN 0.591 nan 8.150 nan 0.000 0.446 35 Q N -0.176 119.474 119.800 -0.251 0.000 2.197 35 Q HA -0.098 4.241 4.340 -0.000 0.000 0.207 35 Q C 1.901 177.844 176.000 -0.095 0.000 0.984 35 Q CA 2.092 57.794 55.803 -0.168 0.000 0.869 35 Q CB -0.551 28.091 28.738 -0.161 0.000 0.906 35 Q HN 0.608 nan 8.270 nan 0.000 0.426 36 A N -1.131 121.652 122.820 -0.061 0.000 2.123 36 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 36 A C 1.643 179.204 177.584 -0.039 0.000 1.152 36 A CA 0.484 52.491 52.037 -0.051 0.000 0.728 36 A CB -0.036 18.962 19.000 -0.002 0.000 0.814 36 A HN 0.398 nan 8.150 nan 0.000 0.464 37 L N -0.729 120.495 121.223 0.002 0.000 2.590 37 L HA 0.065 4.404 4.340 -0.000 0.000 0.227 37 L C 2.467 179.365 176.870 0.047 0.000 1.099 37 L CA 0.477 55.332 54.840 0.026 0.000 0.872 37 L CB -0.168 41.935 42.059 0.074 0.000 1.088 37 L HN 0.524 nan 8.230 nan 0.000 0.479 38 R N 0.840 121.359 120.500 0.032 0.000 2.189 38 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 38 R C -0.048 176.378 176.300 0.211 0.000 1.092 38 R CA 0.767 56.906 56.100 0.065 0.000 0.989 38 R CB -0.749 29.490 30.300 -0.101 0.000 0.876 38 R HN 0.307 nan 8.270 nan 0.000 0.457 39 D N 0.209 120.718 120.400 0.182 0.000 2.277 39 D HA 0.151 4.791 4.640 -0.000 0.000 0.249 39 D C 0.738 177.127 176.300 0.147 0.000 1.134 39 D CA -0.605 53.526 54.000 0.219 0.000 0.863 39 D CB 1.626 42.560 40.800 0.224 0.000 1.143 39 D HN 0.147 nan 8.370 nan 0.000 0.458 40 G N 1.778 110.651 108.800 0.122 0.000 2.990 40 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.206 40 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.206 40 G C 1.116 176.037 174.900 0.035 0.000 1.169 40 G CA 0.039 45.178 45.100 0.064 0.000 0.819 40 G HN 0.418 nan 8.290 nan 0.000 0.517 41 V N 0.992 120.950 119.914 0.073 0.000 2.220 41 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 41 V C 2.869 178.995 176.094 0.054 0.000 1.049 41 V CA 1.502 63.845 62.300 0.070 0.000 1.003 41 V CB -0.564 31.330 31.823 0.118 0.000 0.634 41 V HN 0.388 nan 8.190 nan 0.000 0.444 42 L N -0.644 120.613 121.223 0.057 0.000 2.043 42 L HA -0.234 4.105 4.340 -0.000 0.000 0.212 42 L C 2.497 179.336 176.870 -0.052 0.000 1.075 42 L CA 1.704 56.543 54.840 -0.001 0.000 0.752 42 L CB -0.768 41.268 42.059 -0.038 0.000 0.891 42 L HN 0.352 nan 8.230 nan 0.000 0.432 43 L N -0.926 120.219 121.223 -0.131 0.000 2.046 43 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 43 L C 2.788 179.603 176.870 -0.091 0.000 1.077 43 L CA 1.272 55.912 54.840 -0.334 0.000 0.747 43 L CB -0.615 40.956 42.059 -0.814 0.000 0.896 43 L HN 0.415 nan 8.230 nan 0.000 0.432 44 C N -0.768 118.543 119.300 0.018 0.000 2.446 44 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 44 C C 2.858 177.899 174.990 0.084 0.000 1.275 44 C CA 0.818 59.910 59.018 0.123 0.000 1.727 44 C CB -0.532 27.260 27.740 0.087 0.000 2.010 44 C HN 0.532 nan 8.230 nan 0.000 0.486 45 Q N 0.995 120.819 119.800 0.040 0.000 2.084 45 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 45 Q C 2.013 178.029 176.000 0.027 0.000 0.978 45 Q CA 1.702 57.520 55.803 0.024 0.000 0.844 45 Q CB -0.667 28.075 28.738 0.007 0.000 0.898 45 Q HN 0.570 nan 8.270 nan 0.000 0.426 46 L N -0.021 121.213 121.223 0.019 0.000 1.978 46 L HA -0.232 4.108 4.340 -0.000 0.000 0.218 46 L C 2.010 178.930 176.870 0.083 0.000 1.075 46 L CA 2.052 56.903 54.840 0.017 0.000 0.767 46 L CB -0.953 41.125 42.059 0.032 0.000 0.890 46 L HN 0.436 nan 8.230 nan 0.000 0.434 47 L N -0.367 120.929 121.223 0.122 0.000 2.012 47 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 47 L C 2.455 179.466 176.870 0.234 0.000 1.073 47 L CA 1.710 56.619 54.840 0.115 0.000 0.748 47 L CB -1.037 41.012 42.059 -0.016 0.000 0.891 47 L HN 0.437 nan 8.230 nan 0.000 0.431 48 N N 0.362 119.147 118.700 0.141 0.000 2.166 48 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 48 N C 1.540 177.103 175.510 0.088 0.000 1.019 48 N CA 1.130 54.245 53.050 0.107 0.000 0.856 48 N CB -0.562 37.945 38.487 0.034 0.000 0.993 48 N HN 0.318 nan 8.380 nan 0.000 0.426 49 N N 0.555 119.291 118.700 0.060 0.000 2.443 49 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 49 N C 1.590 177.135 175.510 0.059 0.000 1.037 49 N CA 0.482 53.550 53.050 0.030 0.000 0.896 49 N CB -0.055 38.417 38.487 -0.025 0.000 0.959 49 N HN 0.366 nan 8.380 nan 0.000 0.442 50 L N -0.980 120.328 121.223 0.141 0.000 2.269 50 L HA 0.247 4.587 4.340 -0.000 0.000 0.200 50 L C 0.687 177.643 176.870 0.145 0.000 1.069 50 L CA 0.215 55.164 54.840 0.182 0.000 0.804 50 L CB 0.171 42.451 42.059 0.369 0.000 0.987 50 L HN 0.028 nan 8.230 nan 0.000 0.468 51 L N 2.955 124.305 121.223 0.211 0.000 2.337 51 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 51 L C -2.340 174.613 176.870 0.138 0.000 1.018 51 L CA -1.929 52.965 54.840 0.090 0.000 0.876 51 L CB 1.358 43.385 42.059 -0.054 0.000 1.236 51 L HN -0.197 nan 8.230 nan 0.000 0.436 52 P HA -0.069 nan 4.420 nan 0.000 0.261 52 P C -0.348 177.115 177.300 0.271 0.000 1.173 52 P CA 0.709 63.911 63.100 0.171 0.000 0.760 52 P CB 0.210 32.031 31.700 0.201 0.000 0.783 53 H N 0.540 119.641 119.070 0.052 0.000 2.992 53 H HA -0.202 4.352 4.556 -0.004 0.000 0.266 53 H C 1.285 176.651 175.328 0.064 0.000 1.200 53 H CA 0.620 56.697 56.048 0.048 0.000 1.135 53 H CB -1.803 27.977 29.762 0.031 0.000 1.282 53 H HN 0.614 nan 8.280 nan 0.000 0.351 54 A N 0.677 123.597 122.820 0.166 0.000 1.972 54 A HA 0.116 4.435 4.320 -0.000 0.000 0.219 54 A C 1.194 178.857 177.584 0.132 0.000 1.169 54 A CA 1.322 53.471 52.037 0.186 0.000 0.635 54 A CB 0.333 19.520 19.000 0.311 0.000 0.810 54 A HN 0.324 nan 8.150 nan 0.000 0.446 55 I N -0.361 120.264 120.570 0.093 0.000 2.534 55 I HA 0.165 4.334 4.170 -0.000 0.000 0.286 55 I C -0.925 175.210 176.117 0.030 0.000 1.094 55 I CA -0.779 60.558 61.300 0.061 0.000 1.055 55 I CB 1.838 39.874 38.000 0.061 0.000 1.225 55 I HN 0.102 nan 8.210 nan 0.000 0.435 56 N N 5.323 124.042 118.700 0.032 0.000 2.497 56 N HA 0.196 4.936 4.740 -0.000 0.000 0.268 56 N C 0.659 176.171 175.510 0.003 0.000 1.171 56 N CA 0.120 53.179 53.050 0.016 0.000 0.948 56 N CB 1.211 39.718 38.487 0.034 0.000 1.069 56 N HN 0.593 nan 8.380 nan 0.000 0.460 57 L N 3.206 124.421 121.223 -0.013 0.000 2.127 57 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 57 L C 2.120 178.982 176.870 -0.013 0.000 1.089 57 L CA 1.205 56.034 54.840 -0.017 0.000 0.757 57 L CB -0.173 41.868 42.059 -0.028 0.000 0.899 57 L HN 0.600 nan 8.230 nan 0.000 0.434 58 R N -0.395 120.101 120.500 -0.007 0.000 2.341 58 R HA -0.138 4.201 4.340 -0.000 0.000 0.213 58 R C 1.420 177.716 176.300 -0.006 0.000 1.082 58 R CA 0.705 56.800 56.100 -0.009 0.000 1.017 58 R CB -0.162 30.137 30.300 -0.003 0.000 0.860 58 R HN 0.483 nan 8.270 nan 0.000 0.473 59 E N -0.093 120.108 120.200 0.001 0.000 2.481 59 E HA 0.076 4.425 4.350 -0.000 0.000 0.198 59 E C -0.508 176.097 176.600 0.007 0.000 1.027 59 E CA 0.014 56.417 56.400 0.007 0.000 0.900 59 E CB 0.964 30.672 29.700 0.014 0.000 0.993 59 E HN -0.035 nan 8.360 nan 0.000 0.482 60 V N 1.471 121.385 119.914 -0.000 0.000 2.513 60 V HA 0.184 4.304 4.120 -0.000 0.000 0.299 60 V C -0.389 175.696 176.094 -0.016 0.000 1.035 60 V CA -0.751 61.548 62.300 -0.001 0.000 0.889 60 V CB 1.628 33.449 31.823 -0.003 0.000 0.988 60 V HN 0.075 nan 8.190 nan 0.000 0.440 61 N N 3.849 122.543 118.700 -0.009 0.000 2.521 61 N HA 0.322 5.061 4.740 -0.000 0.000 0.236 61 N C 1.020 176.494 175.510 -0.061 0.000 1.067 61 N CA -0.307 52.732 53.050 -0.019 0.000 0.939 61 N CB 0.737 39.237 38.487 0.021 0.000 1.201 61 N HN 0.620 nan 8.380 nan 0.000 0.511 62 L N 0.968 122.129 121.223 -0.103 0.000 2.265 62 L HA -0.036 4.304 4.340 -0.000 0.000 0.215 62 L C 0.694 177.356 176.870 -0.346 0.000 1.117 62 L CA 0.959 55.677 54.840 -0.203 0.000 0.782 62 L CB 0.003 41.958 42.059 -0.173 0.000 0.914 62 L HN 0.373 nan 8.230 nan 0.000 0.441 63 R N 0.054 120.425 120.500 -0.215 0.000 2.644 63 R HA 0.240 4.580 4.340 -0.000 0.000 0.271 63 R C -2.075 174.192 176.300 -0.055 0.000 1.687 63 R CA -1.115 54.863 56.100 -0.204 0.000 1.655 63 R CB 0.182 30.393 30.300 -0.148 0.000 1.285 63 R HN 0.009 nan 8.270 nan 0.000 0.643 64 P HA 0.045 nan 4.420 nan 0.000 0.266 64 P C 0.713 178.086 177.300 0.121 0.000 1.381 64 P CA 0.031 63.175 63.100 0.073 0.000 0.940 64 P CB 0.573 32.327 31.700 0.089 0.000 1.435 65 Q N -0.294 119.574 119.800 0.114 0.000 2.226 65 Q HA -0.060 4.279 4.340 -0.000 0.000 0.204 65 Q C 1.339 177.397 176.000 0.097 0.000 0.975 65 Q CA 1.054 56.937 55.803 0.133 0.000 0.866 65 Q CB -0.429 28.386 28.738 0.128 0.000 0.915 65 Q HN 0.064 nan 8.270 nan 0.000 0.440 66 M N 0.794 120.427 119.600 0.054 0.000 2.628 66 M HA 0.174 4.653 4.480 -0.000 0.000 0.232 66 M C 0.157 176.469 176.300 0.021 0.000 1.128 66 M CA 0.273 55.568 55.300 -0.009 0.000 1.040 66 M CB 0.025 32.593 32.600 -0.053 0.000 1.608 66 M HN 0.152 nan 8.290 nan 0.000 0.507 67 S N 0.327 116.102 115.700 0.124 0.000 2.775 67 S HA 0.228 4.697 4.470 -0.000 0.000 0.277 67 S C 0.546 175.282 174.600 0.228 0.000 1.156 67 S CA -0.594 57.722 58.200 0.193 0.000 1.081 67 S CB 1.383 64.755 63.200 0.288 0.000 1.054 67 S HN 0.458 nan 8.310 nan 0.000 0.482 68 Q N 3.869 123.807 119.800 0.228 0.000 2.170 68 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 68 Q C 1.306 177.309 176.000 0.005 0.000 0.976 68 Q CA 1.731 57.556 55.803 0.038 0.000 0.858 68 Q CB -0.227 28.624 28.738 0.189 0.000 0.907 68 Q HN 0.869 nan 8.270 nan 0.000 0.433 69 F N 0.669 120.686 119.950 0.112 0.000 2.102 69 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 69 F C 1.604 177.476 175.800 0.120 0.000 1.105 69 F CA 1.420 59.503 58.000 0.138 0.000 1.239 69 F CB 0.048 39.210 39.000 0.270 0.000 0.991 69 F HN 0.065 nan 8.300 nan 0.000 0.474 70 L N -1.100 120.366 121.223 0.405 0.000 2.240 70 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 70 L C 2.453 179.369 176.870 0.077 0.000 1.106 70 L CA 0.556 55.546 54.840 0.249 0.000 0.793 70 L CB -0.901 41.312 42.059 0.255 0.000 0.927 70 L HN 0.290 nan 8.230 nan 0.000 0.446 71 C N -0.111 119.216 119.300 0.044 0.000 2.446 71 C HA -0.101 4.358 4.460 -0.000 0.000 0.277 71 C C 2.739 177.676 174.990 -0.087 0.000 1.275 71 C CA 0.322 59.356 59.018 0.027 0.000 1.727 71 C CB -0.661 27.150 27.740 0.119 0.000 2.010 71 C HN 0.432 nan 8.230 nan 0.000 0.486 72 L N 0.656 121.723 121.223 -0.260 0.000 2.046 72 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 72 L C 2.707 179.456 176.870 -0.202 0.000 1.077 72 L CA 1.462 56.115 54.840 -0.311 0.000 0.747 72 L CB -0.513 41.285 42.059 -0.436 0.000 0.896 72 L HN 0.379 nan 8.230 nan 0.000 0.432 73 K N -0.246 120.030 120.400 -0.207 0.000 2.097 73 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 73 K C 1.840 178.412 176.600 -0.048 0.000 1.049 73 K CA 1.163 57.362 56.287 -0.148 0.000 0.933 73 K CB -0.281 32.127 32.500 -0.154 0.000 0.717 73 K HN 0.336 nan 8.250 nan 0.000 0.442 74 N N 1.388 120.081 118.700 -0.011 0.000 2.084 74 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 74 N C 1.937 177.496 175.510 0.081 0.000 1.030 74 N CA 1.170 54.243 53.050 0.038 0.000 0.849 74 N CB -0.370 38.147 38.487 0.050 0.000 1.012 74 N HN 0.167 nan 8.380 nan 0.000 0.423 75 I N 0.959 121.575 120.570 0.076 0.000 2.226 75 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 75 I C 2.250 178.440 176.117 0.122 0.000 1.100 75 I CA 0.876 62.268 61.300 0.154 0.000 1.374 75 I CB -0.078 38.021 38.000 0.165 0.000 1.057 75 I HN 0.048 nan 8.210 nan 0.000 0.413 76 R N 0.325 120.834 120.500 0.015 0.000 2.081 76 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 76 R C 2.289 178.577 176.300 -0.020 0.000 1.131 76 R CA 1.747 57.828 56.100 -0.031 0.000 0.960 76 R CB -1.323 28.936 30.300 -0.068 0.000 0.856 76 R HN 0.345 nan 8.270 nan 0.000 0.436 77 T N 1.636 116.196 114.554 0.010 0.000 2.720 77 T HA -0.162 4.187 4.350 -0.000 0.000 0.268 77 T C 1.536 176.252 174.700 0.027 0.000 1.037 77 T CA 1.495 63.605 62.100 0.015 0.000 1.144 77 T CB -0.388 68.500 68.868 0.034 0.000 0.864 77 T HN 0.256 nan 8.240 nan 0.000 0.444 78 F N 1.759 121.675 119.950 -0.058 0.000 2.031 78 F HA -0.075 4.451 4.527 -0.002 0.000 0.295 78 F C 1.987 177.706 175.800 -0.136 0.000 1.133 78 F CA 1.290 59.243 58.000 -0.078 0.000 1.188 78 F CB -0.472 38.508 39.000 -0.033 0.000 0.974 78 F HN 0.001 nan 8.300 nan 0.000 0.473 79 L N 0.017 121.063 121.223 -0.294 0.000 2.043 79 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 79 L C 2.836 179.478 176.870 -0.381 0.000 1.075 79 L CA 1.680 56.227 54.840 -0.490 0.000 0.752 79 L CB -1.091 40.761 42.059 -0.345 0.000 0.891 79 L HN 0.394 nan 8.230 nan 0.000 0.432 80 S N -0.563 115.001 115.700 -0.227 0.000 2.345 80 S HA -0.219 4.251 4.470 -0.000 0.000 0.220 80 S C 2.182 176.699 174.600 -0.137 0.000 1.031 80 S CA 1.967 60.078 58.200 -0.149 0.000 0.996 80 S CB -0.498 62.650 63.200 -0.086 0.000 0.882 80 S HN 0.600 nan 8.310 nan 0.000 0.445 81 T N -1.301 113.172 114.554 -0.136 0.000 2.962 81 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 81 T C 2.081 176.701 174.700 -0.133 0.000 1.088 81 T CA 1.394 63.448 62.100 -0.077 0.000 1.127 81 T CB -1.357 67.499 68.868 -0.020 0.000 0.883 81 T HN 0.504 nan 8.240 nan 0.000 0.493 82 C N 0.595 119.659 119.300 -0.393 0.000 2.432 82 C HA 0.097 4.556 4.460 -0.000 0.000 0.282 82 C C 3.076 177.918 174.990 -0.246 0.000 1.388 82 C CA 0.475 59.145 59.018 -0.580 0.000 1.777 82 C CB -1.917 25.177 27.740 -1.076 0.000 1.882 82 C HN 0.897 nan 8.230 nan 0.000 0.520 83 C N -1.022 118.181 119.300 -0.162 0.000 2.689 83 C HA 0.233 4.693 4.460 -0.000 0.000 0.336 83 C C 2.355 177.342 174.990 -0.005 0.000 1.304 83 C CA 0.546 59.523 59.018 -0.067 0.000 1.860 83 C CB -1.083 26.603 27.740 -0.090 0.000 2.405 83 C HN 0.571 nan 8.230 nan 0.000 0.557 84 E N 0.870 121.065 120.200 -0.008 0.000 2.208 84 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 84 E C 1.579 178.209 176.600 0.049 0.000 0.988 84 E CA 0.889 57.297 56.400 0.013 0.000 0.828 84 E CB 0.097 29.797 29.700 -0.000 0.000 0.763 84 E HN 0.665 nan 8.360 nan 0.000 0.478 85 K N -1.071 119.404 120.400 0.126 0.000 2.402 85 K HA 0.167 4.487 4.320 -0.000 0.000 0.204 85 K C 0.347 177.011 176.600 0.107 0.000 1.056 85 K CA -0.090 56.278 56.287 0.135 0.000 1.069 85 K CB 0.695 33.303 32.500 0.180 0.000 0.888 85 K HN 0.012 nan 8.250 nan 0.000 0.546 86 F N -0.693 119.230 119.950 -0.045 0.000 2.746 86 F HA 0.198 4.725 4.527 0.000 0.000 0.320 86 F C 1.415 177.199 175.800 -0.027 0.000 1.097 86 F CA 0.036 58.019 58.000 -0.030 0.000 1.195 86 F CB 1.695 40.670 39.000 -0.042 0.000 1.056 86 F HN 0.155 nan 8.300 nan 0.000 0.562 87 G N 0.734 109.590 108.800 0.094 0.000 2.812 87 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.219 87 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.219 87 G C 0.131 175.052 174.900 0.034 0.000 1.275 87 G CA -0.270 44.858 45.100 0.045 0.000 0.769 87 G HN 0.006 nan 8.290 nan 0.000 0.527 88 L N 2.255 123.502 121.223 0.041 0.000 2.714 88 L HA 0.137 4.477 4.340 -0.000 0.000 0.301 88 L C 1.181 178.041 176.870 -0.015 0.000 1.248 88 L CA 1.195 56.033 54.840 -0.003 0.000 0.885 88 L CB 0.019 42.053 42.059 -0.042 0.000 1.143 88 L HN 0.528 nan 8.230 nan 0.000 0.500 89 K N 4.132 124.528 120.400 -0.007 0.000 2.118 89 K HA 0.301 4.621 4.320 -0.000 0.000 0.264 89 K C 0.889 177.485 176.600 -0.007 0.000 1.000 89 K CA -0.757 55.529 56.287 -0.003 0.000 0.929 89 K CB 0.719 33.226 32.500 0.011 0.000 1.021 89 K HN 0.346 nan 8.250 nan 0.000 0.463 90 R N 0.472 120.964 120.500 -0.012 0.000 2.341 90 R HA -0.093 4.246 4.340 -0.000 0.000 0.213 90 R C 1.199 177.505 176.300 0.011 0.000 1.082 90 R CA 1.254 57.343 56.100 -0.017 0.000 1.017 90 R CB -0.184 30.105 30.300 -0.018 0.000 0.860 90 R HN 0.644 nan 8.270 nan 0.000 0.473 91 S N -1.078 114.641 115.700 0.032 0.000 2.557 91 S HA 0.112 4.582 4.470 -0.000 0.000 0.223 91 S C 1.084 175.756 174.600 0.120 0.000 0.969 91 S CA -0.266 57.967 58.200 0.056 0.000 0.927 91 S CB 0.605 63.829 63.200 0.039 0.000 0.806 91 S HN 0.259 nan 8.310 nan 0.000 0.489 92 E N 0.225 120.503 120.200 0.131 0.000 2.606 92 E HA 0.252 4.602 4.350 -0.000 0.000 0.224 92 E C -0.763 175.929 176.600 0.154 0.000 0.930 92 E CA -0.098 56.443 56.400 0.235 0.000 1.125 92 E CB 0.567 30.324 29.700 0.095 0.000 1.123 92 E HN 0.604 nan 8.360 nan 0.000 0.522 93 L N -0.476 120.787 121.223 0.067 0.000 2.346 93 L HA 0.544 4.884 4.340 -0.000 0.000 0.276 93 L C -0.001 176.870 176.870 0.001 0.000 1.006 93 L CA -1.373 53.447 54.840 -0.034 0.000 0.817 93 L CB 0.207 42.136 42.059 -0.216 0.000 1.272 93 L HN -0.145 nan 8.230 nan 0.000 0.421 94 F N -1.146 118.866 119.950 0.104 0.000 2.426 94 F HA 0.574 5.101 4.527 -0.001 0.000 0.309 94 F C 0.550 176.403 175.800 0.088 0.000 1.246 94 F CA -0.647 57.412 58.000 0.098 0.000 1.229 94 F CB 0.238 39.294 39.000 0.094 0.000 1.255 94 F HN 0.806 nan 8.300 nan 0.000 0.558 95 E N 0.406 120.818 120.200 0.354 0.000 2.204 95 E HA 0.476 4.826 4.350 -0.000 0.000 0.276 95 E C 0.807 177.632 176.600 0.375 0.000 0.974 95 E CA -0.371 56.174 56.400 0.242 0.000 0.815 95 E CB 1.797 31.615 29.700 0.197 0.000 1.119 95 E HN 0.861 nan 8.360 nan 0.000 0.393 96 A N 4.287 127.232 122.820 0.208 0.000 1.894 96 A HA -0.267 4.052 4.320 -0.000 0.000 0.220 96 A C 1.517 179.190 177.584 0.148 0.000 1.237 96 A CA 1.822 53.940 52.037 0.136 0.000 0.660 96 A CB -0.896 18.010 19.000 -0.157 0.000 0.835 96 A HN 0.765 nan 8.150 nan 0.000 0.461 97 F N 0.479 120.579 119.950 0.250 0.000 2.546 97 F HA -0.070 4.457 4.527 0.000 0.000 0.298 97 F C 1.689 177.612 175.800 0.205 0.000 1.120 97 F CA 1.121 59.271 58.000 0.251 0.000 1.456 97 F CB -0.310 38.812 39.000 0.203 0.000 1.088 97 F HN 0.238 nan 8.300 nan 0.000 0.572 98 D N -0.233 120.371 120.400 0.341 0.000 2.263 98 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 98 D C 2.179 178.534 176.300 0.091 0.000 0.971 98 D CA 0.908 55.030 54.000 0.202 0.000 0.867 98 D CB -0.088 40.832 40.800 0.201 0.000 0.929 98 D HN 0.269 nan 8.370 nan 0.000 0.492 99 L N -1.307 119.983 121.223 0.111 0.000 2.347 99 L HA 0.200 4.539 4.340 -0.000 0.000 0.196 99 L C 1.736 178.697 176.870 0.153 0.000 1.072 99 L CA 0.780 55.647 54.840 0.043 0.000 0.817 99 L CB -0.797 41.244 42.059 -0.030 0.000 1.029 99 L HN -0.090 nan 8.230 nan 0.000 0.478 100 F N 0.389 120.395 119.950 0.094 0.000 2.325 100 F HA -0.046 4.480 4.527 -0.001 0.000 0.299 100 F C 1.381 177.295 175.800 0.191 0.000 1.090 100 F CA 1.519 59.581 58.000 0.104 0.000 1.392 100 F CB 0.070 39.082 39.000 0.020 0.000 1.053 100 F HN 0.308 nan 8.300 nan 0.000 0.521 101 D N -0.045 120.571 120.400 0.360 0.000 2.501 101 D HA 0.076 4.715 4.640 -0.000 0.000 0.226 101 D C 0.624 176.994 176.300 0.117 0.000 1.198 101 D CA 0.805 54.945 54.000 0.233 0.000 0.830 101 D CB -0.149 40.903 40.800 0.420 0.000 1.014 101 D HN 0.075 nan 8.370 nan 0.000 0.496 102 V N -1.005 118.950 119.914 0.069 0.000 4.931 102 V HA -0.363 3.756 4.120 -0.000 0.000 0.254 102 V C 0.860 176.993 176.094 0.066 0.000 0.620 102 V CA 1.540 63.860 62.300 0.033 0.000 0.715 102 V CB -2.521 29.249 31.823 -0.089 0.000 0.589 102 V HN 0.395 nan 8.190 nan 0.000 0.982 103 Q N 0.153 120.026 119.800 0.122 0.000 2.472 103 Q HA 0.099 4.439 4.340 -0.000 0.000 0.208 103 Q C 0.910 176.968 176.000 0.097 0.000 0.958 103 Q CA 0.947 56.819 55.803 0.115 0.000 0.932 103 Q CB 0.175 29.005 28.738 0.153 0.000 1.007 103 Q HN 0.993 nan 8.270 nan 0.000 0.508 104 D N -1.448 118.999 120.400 0.078 0.000 3.496 104 D HA -0.049 4.591 4.640 -0.000 0.000 0.225 104 D C -0.526 175.751 176.300 -0.038 0.000 1.490 104 D CA -0.205 53.823 54.000 0.048 0.000 1.147 104 D CB -0.793 40.052 40.800 0.075 0.000 1.335 104 D HN -0.007 nan 8.370 nan 0.000 0.720 105 F N 1.199 120.972 119.950 -0.295 0.000 2.333 105 F HA 0.111 4.638 4.527 -0.000 0.000 0.300 105 F C 1.991 177.490 175.800 -0.502 0.000 1.083 105 F CA 2.107 59.843 58.000 -0.440 0.000 1.395 105 F CB 0.094 38.779 39.000 -0.526 0.000 1.056 105 F HN 0.330 nan 8.300 nan 0.000 0.529 106 G N 0.014 108.511 108.800 -0.505 0.000 2.469 106 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.219 106 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.219 106 G C 1.655 176.518 174.900 -0.062 0.000 1.150 106 G CA 1.172 46.154 45.100 -0.197 0.000 0.763 106 G HN 0.378 nan 8.290 nan 0.000 0.561 107 K N 0.180 120.548 120.400 -0.052 0.000 2.228 107 K HA 0.113 4.432 4.320 -0.000 0.000 0.202 107 K C 2.363 178.998 176.600 0.058 0.000 1.051 107 K CA 0.778 57.110 56.287 0.075 0.000 0.960 107 K CB -0.210 32.367 32.500 0.129 0.000 0.743 107 K HN 0.166 nan 8.250 nan 0.000 0.458 108 V N 1.087 120.796 119.914 -0.343 0.000 2.343 108 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 108 V C 2.187 178.100 176.094 -0.301 0.000 1.051 108 V CA 1.808 63.712 62.300 -0.661 0.000 1.036 108 V CB -0.398 30.685 31.823 -1.233 0.000 0.654 108 V HN 0.302 nan 8.190 nan 0.000 0.451 109 I N -0.997 119.352 120.570 -0.368 0.000 2.394 109 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 109 I C 2.384 178.582 176.117 0.135 0.000 1.136 109 I CA 1.847 63.109 61.300 -0.062 0.000 1.425 109 I CB -0.378 37.635 38.000 0.022 0.000 1.079 109 I HN 0.387 nan 8.210 nan 0.000 0.425 110 Y N 1.712 122.021 120.300 0.015 0.000 2.114 110 Y HA -0.316 4.235 4.550 0.002 0.000 0.284 110 Y C 2.726 178.639 175.900 0.022 0.000 1.143 110 Y CA 2.277 60.385 58.100 0.014 0.000 1.135 110 Y CB -0.410 38.066 38.460 0.027 0.000 0.980 110 Y HN 0.021 nan 8.280 nan 0.000 0.499 111 T N 1.901 116.471 114.554 0.027 0.000 2.653 111 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 111 T C 1.875 176.560 174.700 -0.024 0.000 1.035 111 T CA 2.153 64.259 62.100 0.011 0.000 1.154 111 T CB -0.622 68.485 68.868 0.398 0.000 0.862 111 T HN 0.345 nan 8.240 nan 0.000 0.441 112 L N 0.826 122.104 121.223 0.093 0.000 1.994 112 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 112 L C 2.902 179.570 176.870 -0.338 0.000 1.071 112 L CA 1.453 56.355 54.840 0.105 0.000 0.745 112 L CB -0.968 41.314 42.059 0.371 0.000 0.892 112 L HN 0.309 nan 8.230 nan 0.000 0.431 113 S N 0.291 115.627 115.700 -0.606 0.000 2.372 113 S HA -0.318 4.152 4.470 -0.000 0.000 0.227 113 S C 2.181 176.434 174.600 -0.578 0.000 1.044 113 S CA 1.687 59.131 58.200 -1.259 0.000 1.050 113 S CB -0.285 62.335 63.200 -0.966 0.000 0.901 113 S HN 0.431 nan 8.310 nan 0.000 0.447 114 A N 1.509 124.030 122.820 -0.498 0.000 1.892 114 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 114 A C 2.238 179.736 177.584 -0.143 0.000 1.188 114 A CA 1.915 53.744 52.037 -0.346 0.000 0.631 114 A CB -1.129 17.583 19.000 -0.480 0.000 0.822 114 A HN 0.565 nan 8.150 nan 0.000 0.447 115 L N 0.866 122.000 121.223 -0.147 0.000 2.042 115 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 115 L C 2.952 179.828 176.870 0.010 0.000 1.076 115 L CA 2.672 57.531 54.840 0.032 0.000 0.749 115 L CB -0.928 41.228 42.059 0.162 0.000 0.893 115 L HN 0.619 nan 8.230 nan 0.000 0.432 116 S N -2.427 113.011 115.700 -0.436 0.000 2.419 116 S HA -0.234 4.236 4.470 -0.000 0.000 0.233 116 S C 1.657 176.088 174.600 -0.282 0.000 1.016 116 S CA 1.065 58.933 58.200 -0.554 0.000 0.974 116 S CB -0.991 61.363 63.200 -1.411 0.000 0.786 116 S HN 0.554 nan 8.310 nan 0.000 0.492 117 W N 2.315 123.487 121.300 -0.213 0.000 3.197 117 W HA 0.369 5.033 4.660 0.006 0.000 0.274 117 W C 0.783 177.280 176.519 -0.037 0.000 1.297 117 W CA -0.309 56.966 57.345 -0.116 0.000 1.662 117 W CB -0.752 28.610 29.460 -0.162 0.000 1.106 117 W HN 0.046 nan 8.180 nan 0.000 0.663 118 T N 4.051 118.706 114.554 0.169 0.000 2.906 118 T HA -0.078 4.271 4.350 -0.000 0.000 0.329 118 T C -1.122 173.644 174.700 0.109 0.000 1.091 118 T CA -0.395 61.792 62.100 0.145 0.000 1.127 118 T CB 0.571 69.558 68.868 0.198 0.000 1.035 118 T HN -0.063 nan 8.240 nan 0.000 0.547 119 P HA 0.096 nan 4.420 nan 0.000 0.244 119 P C 0.753 178.065 177.300 0.021 0.000 1.211 119 P CA 0.768 63.894 63.100 0.043 0.000 0.760 119 P CB 0.066 31.779 31.700 0.022 0.000 0.961 120 I N -1.157 119.431 120.570 0.029 0.000 3.565 120 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 120 I C 2.358 178.524 176.117 0.082 0.000 1.193 120 I CA 0.524 61.824 61.300 -0.001 0.000 1.402 120 I CB -0.546 37.375 38.000 -0.131 0.000 1.284 120 I HN -0.144 nan 8.210 nan 0.000 0.454 121 A N 0.633 123.558 122.820 0.175 0.000 1.865 121 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 121 A C 2.207 179.885 177.584 0.156 0.000 1.191 121 A CA 2.051 54.239 52.037 0.252 0.000 0.623 121 A CB -0.762 18.471 19.000 0.389 0.000 0.826 121 A HN 0.450 nan 8.150 nan 0.000 0.444 122 Q N -1.010 118.846 119.800 0.093 0.000 2.172 122 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 122 Q C 1.303 177.325 176.000 0.037 0.000 0.964 122 Q CA 0.990 56.817 55.803 0.041 0.000 0.855 122 Q CB -0.127 28.606 28.738 -0.007 0.000 0.918 122 Q HN 0.666 nan 8.270 nan 0.000 0.444 123 N N 0.162 118.885 118.700 0.037 0.000 2.724 123 N HA -0.107 4.633 4.740 -0.000 0.000 0.198 123 N C 0.647 176.170 175.510 0.022 0.000 1.301 123 N CA 0.647 53.711 53.050 0.022 0.000 0.942 123 N CB 0.150 38.642 38.487 0.010 0.000 1.033 123 N HN 0.087 nan 8.380 nan 0.000 0.447 124 R N -2.158 118.362 120.500 0.034 0.000 2.539 124 R HA 0.172 4.512 4.340 -0.000 0.000 0.342 124 R C 0.574 176.888 176.300 0.025 0.000 0.941 124 R CA 0.613 56.730 56.100 0.029 0.000 1.146 124 R CB 0.632 30.956 30.300 0.039 0.000 1.541 124 R HN 0.206 nan 8.270 nan 0.000 0.525 125 G N 1.312 110.129 108.800 0.028 0.000 2.213 125 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 125 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 125 G C 0.090 175.011 174.900 0.035 0.000 0.992 125 G CA -0.106 45.008 45.100 0.023 0.000 0.632 125 G HN 0.169 nan 8.290 nan 0.000 0.511 126 I N 2.378 122.984 120.570 0.060 0.000 2.337 126 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 126 I C 1.059 177.263 176.117 0.145 0.000 1.046 126 I CA -0.381 60.983 61.300 0.106 0.000 1.324 126 I CB 1.415 39.482 38.000 0.113 0.000 1.409 126 I HN 0.323 nan 8.210 nan 0.000 0.494 127 M N 8.988 128.656 119.600 0.114 0.000 2.269 127 M HA 0.227 4.707 4.480 -0.000 0.000 0.350 127 M C -2.204 174.120 176.300 0.040 0.000 1.429 127 M CA -1.012 54.303 55.300 0.024 0.000 1.063 127 M CB 0.540 33.160 32.600 0.033 0.000 1.841 127 M HN 0.238 nan 8.290 nan 0.000 0.455 128 P HA 0.173 nan 4.420 nan 0.000 0.272 128 P C -1.272 175.844 177.300 -0.307 0.000 1.248 128 P CA 0.070 62.736 63.100 -0.723 0.000 0.799 128 P CB 0.324 30.809 31.700 -2.025 0.000 0.997 143 S N 0.303 116.094 115.700 0.152 0.000 2.425 143 S HA -0.317 4.152 4.470 -0.000 0.000 0.256 143 S C 2.131 176.765 174.600 0.055 0.000 1.101 143 S CA 1.862 60.116 58.200 0.090 0.000 1.188 143 S CB -1.371 61.863 63.200 0.057 0.000 1.085 143 S HN 0.601 nan 8.310 nan 0.000 0.439 144 G N 0.654 109.474 108.800 0.035 0.000 3.028 144 G HA2 0.258 4.218 3.960 -0.000 0.000 0.205 144 G HA3 0.258 4.218 3.960 -0.000 0.000 0.205 144 G C 0.995 175.883 174.900 -0.021 0.000 1.182 144 G CA 0.137 45.240 45.100 0.004 0.000 0.860 144 G HN 0.480 nan 8.290 nan 0.000 0.507 145 L N -0.273 120.941 121.223 -0.015 0.000 2.005 145 L HA -0.076 4.263 4.340 -0.000 0.000 0.207 145 L C 3.010 179.822 176.870 -0.096 0.000 1.072 145 L CA 1.352 56.146 54.840 -0.077 0.000 0.744 145 L CB -0.356 41.652 42.059 -0.086 0.000 0.895 145 L HN 0.367 nan 8.230 nan 0.000 0.433 146 S N -0.602 115.063 115.700 -0.058 0.000 2.440 146 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 146 S C 1.412 175.969 174.600 -0.070 0.000 1.010 146 S CA 1.441 59.606 58.200 -0.060 0.000 0.972 146 S CB -0.250 62.939 63.200 -0.019 0.000 0.774 146 S HN 0.431 nan 8.310 nan 0.000 0.501 147 D N 0.722 121.086 120.400 -0.060 0.000 2.144 147 D HA -0.032 4.607 4.640 -0.000 0.000 0.207 147 D C 2.164 178.419 176.300 -0.076 0.000 0.970 147 D CA 0.840 54.804 54.000 -0.060 0.000 0.853 147 D CB -0.587 40.190 40.800 -0.039 0.000 1.007 147 D HN 0.501 nan 8.370 nan 0.000 0.469 148 Q N 0.819 120.568 119.800 -0.086 0.000 2.030 148 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 148 Q C 2.478 178.409 176.000 -0.116 0.000 0.986 148 Q CA 0.970 56.714 55.803 -0.099 0.000 0.843 148 Q CB -0.157 28.510 28.738 -0.118 0.000 0.904 148 Q HN 0.285 nan 8.270 nan 0.000 0.420 149 I N 1.000 121.485 120.570 -0.143 0.000 2.074 149 I HA -0.299 3.871 4.170 -0.000 0.000 0.238 149 I C 0.741 176.783 176.117 -0.124 0.000 1.037 149 I CA 0.798 62.006 61.300 -0.153 0.000 1.301 149 I CB -0.576 37.318 38.000 -0.177 0.000 1.016 149 I HN 0.280 nan 8.210 nan 0.000 0.400 157 E N 0.757 120.953 120.200 -0.007 0.000 2.112 157 E HA -0.119 4.230 4.350 -0.000 0.000 0.190 157 E C 1.231 177.826 176.600 -0.008 0.000 0.979 157 E CA 0.909 57.328 56.400 0.031 0.000 0.814 157 E CB -0.043 29.683 29.700 0.043 0.000 0.762 157 E HN 0.384 nan 8.360 nan 0.000 0.460 158 D N 0.819 121.211 120.400 -0.014 0.000 2.133 158 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 158 D C 2.102 178.310 176.300 -0.153 0.000 1.001 158 D CA 0.694 54.685 54.000 -0.015 0.000 0.844 158 D CB -0.212 40.639 40.800 0.085 0.000 0.944 158 D HN 0.092 nan 8.370 nan 0.000 0.447 159 L N -0.201 120.832 121.223 -0.317 0.000 2.013 159 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 159 L C 1.464 178.005 176.870 -0.549 0.000 1.073 159 L CA 1.755 56.220 54.840 -0.624 0.000 0.753 159 L CB -0.842 40.687 42.059 -0.884 0.000 0.890 159 L HN 0.155 nan 8.230 nan 0.000 0.432 160 Y N -1.067 119.182 120.300 -0.085 0.000 2.493 160 Y HA 0.128 4.677 4.550 -0.002 0.000 0.275 160 Y C 1.839 177.707 175.900 -0.055 0.000 1.183 160 Y CA -0.458 57.602 58.100 -0.067 0.000 1.258 160 Y CB -0.870 37.564 38.460 -0.042 0.000 1.108 160 Y HN 0.193 nan 8.280 nan 0.000 0.521 161 D N -0.368 120.043 120.400 0.018 0.000 2.172 161 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 161 D C 1.261 177.564 176.300 0.004 0.000 0.999 161 D CA 1.298 55.304 54.000 0.010 0.000 0.856 161 D CB -0.165 40.627 40.800 -0.013 0.000 0.934 161 D HN 0.339 nan 8.370 nan 0.000 0.453 162 C N 0.670 119.962 119.300 -0.013 0.000 2.693 162 C HA 0.236 4.696 4.460 -0.000 0.000 0.286 162 C C 0.865 175.855 174.990 -0.000 0.000 1.277 162 C CA -0.767 58.239 59.018 -0.019 0.000 1.705 162 C CB -1.110 26.601 27.740 -0.050 0.000 1.879 162 C HN 0.099 nan 8.230 nan 0.000 0.607 163 V N -0.472 119.462 119.914 0.033 0.000 2.532 163 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 163 V C -0.118 175.981 176.094 0.008 0.000 1.041 163 V CA -0.607 61.711 62.300 0.031 0.000 0.926 163 V CB 1.253 33.115 31.823 0.064 0.000 0.992 163 V HN 0.403 nan 8.190 nan 0.000 0.457 164 E N 3.821 124.016 120.200 -0.008 0.000 2.415 164 E HA 0.080 4.430 4.350 -0.000 0.000 0.260 164 E C 0.331 176.917 176.600 -0.022 0.000 1.016 164 E CA -0.075 56.314 56.400 -0.018 0.000 0.924 164 E CB 0.260 29.942 29.700 -0.030 0.000 0.961 164 E HN 1.010 nan 8.360 nan 0.000 0.459 165 N N 2.474 121.163 118.700 -0.018 0.000 2.444 165 N HA -0.094 4.646 4.740 -0.000 0.000 0.255 165 N C 0.775 176.267 175.510 -0.029 0.000 1.255 165 N CA 0.100 53.135 53.050 -0.026 0.000 0.933 165 N CB 0.639 39.116 38.487 -0.017 0.000 1.143 165 N HN 0.581 nan 8.380 nan 0.000 0.453 166 E N -0.381 119.799 120.200 -0.034 0.000 2.267 166 E HA -0.317 4.033 4.350 -0.000 0.000 0.197 166 E C 0.550 177.137 176.600 -0.021 0.000 0.998 166 E CA 1.443 57.825 56.400 -0.030 0.000 0.830 166 E CB -0.440 29.241 29.700 -0.033 0.000 0.751 166 E HN 0.935 nan 8.360 nan 0.000 0.491 167 E N 0.496 120.683 120.200 -0.022 0.000 2.465 167 E HA 0.281 4.631 4.350 -0.000 0.000 0.195 167 E C 1.591 178.182 176.600 -0.015 0.000 1.028 167 E CA 0.302 56.690 56.400 -0.020 0.000 0.899 167 E CB 0.546 30.226 29.700 -0.032 0.000 1.032 167 E HN 0.258 nan 8.360 nan 0.000 0.468 168 A N 1.868 124.681 122.820 -0.011 0.000 1.930 168 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 168 A C 2.154 179.746 177.584 0.014 0.000 1.175 168 A CA 1.418 53.454 52.037 -0.002 0.000 0.627 168 A CB -0.453 18.543 19.000 -0.006 0.000 0.815 168 A HN 0.430 nan 8.150 nan 0.000 0.443 169 E N -0.311 119.898 120.200 0.014 0.000 2.070 169 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 169 E C 2.020 178.653 176.600 0.056 0.000 1.004 169 E CA 1.367 57.789 56.400 0.037 0.000 0.805 169 E CB -0.436 29.285 29.700 0.034 0.000 0.744 169 E HN 0.499 nan 8.360 nan 0.000 0.451 170 G N 0.516 109.341 108.800 0.042 0.000 2.421 170 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 170 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 170 G C 1.420 176.356 174.900 0.061 0.000 1.143 170 G CA 0.705 45.836 45.100 0.051 0.000 0.784 170 G HN 0.268 nan 8.290 nan 0.000 0.541 171 D N 1.005 121.425 120.400 0.033 0.000 2.263 171 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 171 D C 2.554 178.916 176.300 0.103 0.000 0.971 171 D CA 1.207 55.231 54.000 0.039 0.000 0.867 171 D CB -0.012 40.787 40.800 -0.002 0.000 0.929 171 D HN 0.696 nan 8.370 nan 0.000 0.492 172 E N -0.005 120.252 120.200 0.096 0.000 2.127 172 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 172 E C 2.503 179.187 176.600 0.139 0.000 0.964 172 E CA 0.082 56.545 56.400 0.105 0.000 0.832 172 E CB -0.660 29.090 29.700 0.084 0.000 0.790 172 E HN 0.215 nan 8.360 nan 0.000 0.465 173 I N 0.830 121.494 120.570 0.155 0.000 2.185 173 I HA -0.330 3.840 4.170 -0.000 0.000 0.246 173 I C 2.657 178.844 176.117 0.118 0.000 1.088 173 I CA 1.966 63.380 61.300 0.189 0.000 1.347 173 I CB -0.589 37.503 38.000 0.153 0.000 1.041 173 I HN 0.173 nan 8.210 nan 0.000 0.415 174 Y N 1.865 122.159 120.300 -0.011 0.000 2.163 174 Y HA -0.190 4.359 4.550 -0.001 0.000 0.288 174 Y C 2.580 178.460 175.900 -0.032 0.000 1.136 174 Y CA 1.526 59.593 58.100 -0.056 0.000 1.147 174 Y CB -0.026 38.384 38.460 -0.083 0.000 0.987 174 Y HN 0.056 nan 8.280 nan 0.000 0.509 175 E N 0.164 120.427 120.200 0.104 0.000 2.274 175 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 175 E C 1.639 178.228 176.600 -0.019 0.000 0.996 175 E CA 1.059 57.469 56.400 0.015 0.000 0.840 175 E CB -0.297 29.458 29.700 0.091 0.000 0.772 175 E HN 0.611 nan 8.360 nan 0.000 0.491 176 D N 0.903 121.332 120.400 0.048 0.000 2.085 176 D HA -0.134 4.505 4.640 -0.000 0.000 0.199 176 D C 2.149 178.510 176.300 0.100 0.000 0.981 176 D CA 0.511 54.581 54.000 0.116 0.000 0.834 176 D CB -0.167 40.781 40.800 0.247 0.000 0.992 176 D HN 0.111 nan 8.370 nan 0.000 0.457 177 L N 0.200 121.440 121.223 0.027 0.000 2.089 177 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 177 L C 2.361 179.131 176.870 -0.165 0.000 1.079 177 L CA 1.476 56.234 54.840 -0.137 0.000 0.758 177 L CB -0.248 41.563 42.059 -0.413 0.000 0.891 177 L HN 0.115 nan 8.230 nan 0.000 0.433 178 M N -1.403 118.030 119.600 -0.278 0.000 2.509 178 M HA 0.055 4.534 4.480 -0.000 0.000 0.250 178 M C 1.009 177.232 176.300 -0.130 0.000 1.132 178 M CA 0.233 55.372 55.300 -0.268 0.000 1.080 178 M CB -0.743 31.564 32.600 -0.490 0.000 1.408 178 M HN 0.138 nan 8.290 nan 0.000 0.484 179 R N 2.008 122.459 120.500 -0.081 0.000 2.638 179 R HA 0.085 4.425 4.340 -0.000 0.000 0.268 179 R C -0.073 176.214 176.300 -0.022 0.000 1.006 179 R CA 0.497 56.576 56.100 -0.035 0.000 1.088 179 R CB 0.555 30.850 30.300 -0.008 0.000 0.950 179 R HN 0.302 nan 8.270 nan 0.000 0.419 190 T N -0.803 113.749 114.554 -0.004 0.000 2.771 190 T HA 0.369 4.719 4.350 -0.000 0.000 0.290 190 T C 0.501 175.203 174.700 0.003 0.000 1.005 190 T CA 0.508 62.617 62.100 0.016 0.000 0.944 190 T CB 1.272 70.169 68.868 0.047 0.000 1.147 190 T HN 0.738 nan 8.240 nan 0.000 0.534 191 E N -1.178 119.046 120.200 0.040 0.000 2.465 191 E HA 0.180 4.529 4.350 -0.000 0.000 0.195 191 E C 0.441 177.097 176.600 0.093 0.000 1.028 191 E CA -0.326 56.094 56.400 0.033 0.000 0.899 191 E CB 0.007 29.753 29.700 0.077 0.000 1.032 191 E HN 0.739 nan 8.360 nan 0.000 0.468 192 Y N -0.047 120.240 120.300 -0.021 0.000 2.559 192 Y HA 0.084 4.634 4.550 -0.000 0.000 0.279 192 Y C 1.290 177.176 175.900 -0.023 0.000 1.117 192 Y CA 0.710 58.804 58.100 -0.009 0.000 1.263 192 Y CB 0.529 38.988 38.460 -0.000 0.000 1.230 192 Y HN 0.051 nan 8.280 nan 0.000 0.528 193 D N 0.581 120.979 120.400 -0.004 0.000 2.178 193 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 193 D C 1.735 177.943 176.300 -0.153 0.000 0.974 193 D CA 1.144 55.092 54.000 -0.087 0.000 0.841 193 D CB -0.085 40.709 40.800 -0.010 0.000 0.953 193 D HN 0.369 nan 8.370 nan 0.000 0.478 194 K N 0.530 120.825 120.400 -0.174 0.000 2.026 194 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 194 K C 2.249 178.692 176.600 -0.262 0.000 1.048 194 K CA 0.710 56.818 56.287 -0.298 0.000 0.929 194 K CB 0.035 32.218 32.500 -0.528 0.000 0.713 194 K HN -0.011 nan 8.250 nan 0.000 0.439 195 R N 0.667 121.053 120.500 -0.191 0.000 2.073 195 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 195 R C 2.249 178.448 176.300 -0.169 0.000 1.134 195 R CA 1.840 57.879 56.100 -0.102 0.000 0.952 195 R CB -0.496 29.766 30.300 -0.064 0.000 0.850 195 R HN 0.253 nan 8.270 nan 0.000 0.433 196 C N 0.251 119.358 119.300 -0.320 0.000 2.425 196 C HA -0.128 4.331 4.460 -0.000 0.000 0.277 196 C C 3.120 178.027 174.990 -0.140 0.000 1.280 196 C CA 0.762 59.617 59.018 -0.272 0.000 1.744 196 C CB -1.352 26.157 27.740 -0.384 0.000 1.989 196 C HN 0.810 nan 8.230 nan 0.000 0.491 197 C N 0.136 119.360 119.300 -0.127 0.000 2.413 197 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 197 C C 2.940 177.905 174.990 -0.042 0.000 1.248 197 C CA 1.659 60.631 59.018 -0.076 0.000 1.742 197 C CB -1.726 25.964 27.740 -0.082 0.000 2.017 197 C HN 0.731 nan 8.230 nan 0.000 0.481 198 C N 0.485 119.765 119.300 -0.032 0.000 2.446 198 C HA 0.004 4.463 4.460 -0.000 0.000 0.277 198 C C 2.635 177.639 174.990 0.024 0.000 1.275 198 C CA 1.170 60.197 59.018 0.015 0.000 1.727 198 C CB -1.501 26.272 27.740 0.055 0.000 2.010 198 C HN 0.683 nan 8.230 nan 0.000 0.486 199 L N 0.281 121.507 121.223 0.004 0.000 2.187 199 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 199 L C 2.764 179.646 176.870 0.021 0.000 1.100 199 L CA 1.365 56.218 54.840 0.021 0.000 0.765 199 L CB -0.564 41.492 42.059 -0.005 0.000 0.904 199 L HN 0.415 nan 8.230 nan 0.000 0.437 200 R N -0.484 120.017 120.500 0.002 0.000 2.161 200 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 200 R C 1.999 178.310 176.300 0.019 0.000 1.055 200 R CA 0.593 56.696 56.100 0.004 0.000 0.996 200 R CB -0.039 30.255 30.300 -0.011 0.000 0.901 200 R HN 0.383 nan 8.270 nan 0.000 0.456 201 E N 1.267 121.481 120.200 0.023 0.000 2.072 201 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 201 E C 1.875 178.513 176.600 0.063 0.000 0.985 201 E CA 0.911 57.331 56.400 0.033 0.000 0.801 201 E CB 0.066 29.784 29.700 0.029 0.000 0.750 201 E HN 0.236 nan 8.360 nan 0.000 0.452 202 I N 0.701 121.325 120.570 0.090 0.000 2.252 202 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 202 I C 2.767 178.961 176.117 0.130 0.000 1.102 202 I CA 1.133 62.526 61.300 0.154 0.000 1.385 202 I CB -0.255 37.872 38.000 0.212 0.000 1.064 202 I HN 0.237 nan 8.210 nan 0.000 0.414 203 Q N 0.504 120.348 119.800 0.074 0.000 2.123 203 Q HA -0.227 4.113 4.340 -0.000 0.000 0.199 203 Q C 2.212 178.241 176.000 0.047 0.000 0.966 203 Q CA 1.434 57.261 55.803 0.041 0.000 0.845 203 Q CB 0.137 28.882 28.738 0.013 0.000 0.907 203 Q HN 0.559 nan 8.270 nan 0.000 0.439 204 Q N -0.617 119.209 119.800 0.043 0.000 2.062 204 Q HA -0.106 4.234 4.340 -0.000 0.000 0.196 204 Q C 2.205 178.231 176.000 0.043 0.000 0.967 204 Q CA 1.857 57.680 55.803 0.033 0.000 0.832 204 Q CB -0.024 28.724 28.738 0.016 0.000 0.899 204 Q HN 0.532 nan 8.270 nan 0.000 0.442 205 T N -0.896 113.687 114.554 0.049 0.000 2.759 205 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 205 T C 1.711 176.486 174.700 0.124 0.000 1.042 205 T CA 1.534 63.661 62.100 0.045 0.000 1.140 205 T CB -0.148 68.740 68.868 0.034 0.000 0.864 205 T HN 0.135 nan 8.240 nan 0.000 0.455 206 E N 1.552 121.858 120.200 0.175 0.000 2.047 206 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 206 E C 2.251 178.976 176.600 0.209 0.000 0.987 206 E CA 1.541 58.105 56.400 0.274 0.000 0.799 206 E CB -0.421 29.442 29.700 0.272 0.000 0.752 206 E HN 0.733 nan 8.360 nan 0.000 0.449 207 E N -0.100 120.168 120.200 0.114 0.000 2.070 207 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 207 E C 1.986 178.623 176.600 0.062 0.000 1.004 207 E CA 1.649 58.091 56.400 0.070 0.000 0.805 207 E CB -0.133 29.589 29.700 0.036 0.000 0.744 207 E HN -0.000 nan 8.360 nan 0.000 0.451 208 K N 0.156 120.592 120.400 0.061 0.000 2.057 208 K HA -0.188 4.131 4.320 -0.000 0.000 0.206 208 K C 1.969 178.600 176.600 0.052 0.000 1.050 208 K CA 1.131 57.439 56.287 0.034 0.000 0.935 208 K CB -0.476 32.026 32.500 0.003 0.000 0.715 208 K HN 0.149 nan 8.250 nan 0.000 0.439 209 Y N 1.093 121.375 120.300 -0.031 0.000 2.145 209 Y HA -0.182 4.368 4.550 -0.001 0.000 0.286 209 Y C 2.031 177.906 175.900 -0.041 0.000 1.145 209 Y CA 2.257 60.328 58.100 -0.048 0.000 1.148 209 Y CB -0.781 37.666 38.460 -0.021 0.000 0.981 209 Y HN 0.095 nan 8.280 nan 0.000 0.507 210 T N 0.515 115.029 114.554 -0.068 0.000 2.708 210 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 210 T C 1.379 175.996 174.700 -0.138 0.000 1.037 210 T CA 1.705 63.722 62.100 -0.139 0.000 1.146 210 T CB -0.499 68.414 68.868 0.075 0.000 0.865 210 T HN 0.670 nan 8.240 nan 0.000 0.435 211 D N 0.470 120.832 120.400 -0.064 0.000 2.347 211 D HA -0.031 4.608 4.640 -0.000 0.000 0.215 211 D C 1.759 178.029 176.300 -0.049 0.000 0.976 211 D CA 0.728 54.703 54.000 -0.041 0.000 0.884 211 D CB -0.808 39.990 40.800 -0.002 0.000 0.915 211 D HN 0.252 nan 8.370 nan 0.000 0.526 212 T N 1.037 115.530 114.554 -0.102 0.000 2.777 212 T HA -0.018 4.332 4.350 -0.000 0.000 0.266 212 T C 2.088 176.714 174.700 -0.124 0.000 1.040 212 T CA 0.813 62.854 62.100 -0.099 0.000 1.141 212 T CB -0.263 68.532 68.868 -0.122 0.000 0.868 212 T HN 0.151 nan 8.240 nan 0.000 0.444 213 L N 0.709 121.768 121.223 -0.274 0.000 2.042 213 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 213 L C 2.989 179.808 176.870 -0.085 0.000 1.076 213 L CA 1.401 56.103 54.840 -0.229 0.000 0.749 213 L CB -0.967 40.879 42.059 -0.355 0.000 0.893 213 L HN 0.358 nan 8.230 nan 0.000 0.432 214 G N -1.088 107.670 108.800 -0.072 0.000 2.422 214 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 214 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 214 G C 1.815 176.721 174.900 0.011 0.000 1.146 214 G CA 0.999 46.082 45.100 -0.028 0.000 0.769 214 G HN 0.409 nan 8.290 nan 0.000 0.547 215 S N 0.307 116.056 115.700 0.083 0.000 2.368 215 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 215 S C 2.420 177.248 174.600 0.379 0.000 1.030 215 S CA 1.154 59.511 58.200 0.263 0.000 0.999 215 S CB -0.299 63.090 63.200 0.315 0.000 0.844 215 S HN 0.354 nan 8.310 nan 0.000 0.459 216 I N 1.279 122.036 120.570 0.311 0.000 2.163 216 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 216 I C 2.912 179.236 176.117 0.346 0.000 1.085 216 I CA 1.840 63.377 61.300 0.395 0.000 1.347 216 I CB -0.502 37.554 38.000 0.093 0.000 1.044 216 I HN 0.497 nan 8.210 nan 0.000 0.408 217 Q N 0.500 120.401 119.800 0.167 0.000 1.891 217 Q HA -0.269 4.071 4.340 -0.000 0.000 0.214 217 Q C 2.334 178.387 176.000 0.089 0.000 0.995 217 Q CA 1.771 57.662 55.803 0.146 0.000 0.866 217 Q CB -0.111 28.672 28.738 0.075 0.000 0.931 217 Q HN 0.408 nan 8.270 nan 0.000 0.422 218 Q N -0.449 119.318 119.800 -0.055 0.000 2.173 218 Q HA -0.221 4.118 4.340 -0.000 0.000 0.208 218 Q C 1.659 177.466 176.000 -0.323 0.000 0.989 218 Q CA 2.046 57.704 55.803 -0.241 0.000 0.872 218 Q CB -0.404 28.061 28.738 -0.457 0.000 0.909 218 Q HN 0.675 nan 8.270 nan 0.000 0.420 219 H N -2.544 116.481 119.070 -0.075 0.000 2.654 219 H HA 0.172 4.728 4.556 0.000 0.000 0.264 219 H C 0.751 175.780 175.328 -0.498 0.000 0.954 219 H CA 0.048 55.898 56.048 -0.330 0.000 1.199 219 H CB 0.424 29.872 29.762 -0.523 0.000 1.446 219 H HN 0.092 nan 8.280 nan 0.000 0.516 220 F N -0.521 119.489 119.950 0.101 0.000 2.373 220 F HA 0.157 4.683 4.527 -0.001 0.000 0.253 220 F C 1.820 177.651 175.800 0.052 0.000 0.954 220 F CA -0.165 57.874 58.000 0.064 0.000 1.136 220 F CB -0.467 38.578 39.000 0.075 0.000 1.342 220 F HN -0.146 nan 8.300 nan 0.000 0.701 221 L N 0.437 121.855 121.223 0.324 0.000 2.081 221 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 221 L C 2.153 179.115 176.870 0.154 0.000 1.080 221 L CA 1.644 56.645 54.840 0.267 0.000 0.754 221 L CB -0.723 41.587 42.059 0.419 0.000 0.893 221 L HN 0.233 nan 8.230 nan 0.000 0.433 222 K N -0.059 120.415 120.400 0.124 0.000 1.975 222 K HA -0.098 4.221 4.320 -0.000 0.000 0.210 222 K C -0.094 176.506 176.600 0.000 0.000 1.041 222 K CA 1.093 57.402 56.287 0.037 0.000 0.942 222 K CB -1.101 31.419 32.500 0.034 0.000 0.729 222 K HN 0.139 nan 8.250 nan 0.000 0.439 223 P HA -0.198 nan 4.420 nan 0.000 0.218 223 P C 1.107 178.348 177.300 -0.099 0.000 1.152 223 P CA 1.421 64.480 63.100 -0.069 0.000 0.857 223 P CB 0.075 31.706 31.700 -0.114 0.000 0.787 224 L N -1.660 119.532 121.223 -0.051 0.000 2.162 224 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 224 L C 2.663 179.562 176.870 0.049 0.000 1.086 224 L CA 0.980 55.796 54.840 -0.040 0.000 0.778 224 L CB -0.821 41.256 42.059 0.029 0.000 0.928 224 L HN -0.070 nan 8.230 nan 0.000 0.446 225 Q N 0.110 119.922 119.800 0.019 0.000 2.146 225 Q HA -0.354 3.986 4.340 -0.000 0.000 0.217 225 Q C 2.325 178.360 176.000 0.058 0.000 1.023 225 Q CA 2.402 58.198 55.803 -0.011 0.000 0.903 225 Q CB -0.210 28.472 28.738 -0.093 0.000 0.990 225 Q HN 0.490 nan 8.270 nan 0.000 0.413 226 R N -0.863 119.710 120.500 0.121 0.000 2.081 226 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 226 R C 2.178 178.624 176.300 0.244 0.000 1.131 226 R CA 1.417 57.623 56.100 0.176 0.000 0.960 226 R CB -0.411 30.029 30.300 0.233 0.000 0.856 226 R HN 0.228 nan 8.270 nan 0.000 0.436 227 F N 1.077 121.026 119.950 -0.003 0.000 2.234 227 F HA 0.040 4.567 4.527 0.000 0.000 0.299 227 F C 1.171 176.974 175.800 0.005 0.000 1.087 227 F CA 0.694 58.696 58.000 0.004 0.000 1.340 227 F CB -0.189 38.818 39.000 0.012 0.000 1.031 227 F HN -0.124 nan 8.300 nan 0.000 0.500 228 L N -0.179 121.160 121.223 0.193 0.000 2.334 228 L HA 0.345 4.685 4.340 -0.000 0.000 0.273 228 L C 0.062 176.974 176.870 0.069 0.000 1.013 228 L CA -1.220 53.689 54.840 0.115 0.000 0.816 228 L CB 1.421 43.547 42.059 0.112 0.000 1.278 228 L HN -0.252 nan 8.230 nan 0.000 0.431 229 K N 1.871 122.305 120.400 0.057 0.000 2.448 229 K HA 0.105 4.424 4.320 -0.000 0.000 0.278 229 K C -2.131 174.491 176.600 0.038 0.000 1.009 229 K CA -1.333 54.977 56.287 0.040 0.000 0.995 229 K CB 0.020 32.545 32.500 0.042 0.000 0.917 229 K HN 0.243 nan 8.250 nan 0.000 0.481 230 P HA -0.109 nan 4.420 nan 0.000 0.238 230 P C -0.324 176.986 177.300 0.017 0.000 1.649 230 P CA 0.742 63.846 63.100 0.007 0.000 0.960 230 P CB -0.357 31.338 31.700 -0.009 0.000 1.911 231 Q N -2.079 117.740 119.800 0.032 0.000 1.793 231 Q HA 0.065 4.405 4.340 -0.000 0.000 0.186 231 Q C 0.133 176.160 176.000 0.045 0.000 0.714 231 Q CA -0.201 55.614 55.803 0.020 0.000 0.808 231 Q CB -0.120 28.627 28.738 0.016 0.000 1.211 231 Q HN -0.043 nan 8.270 nan 0.000 0.402 232 D N 0.491 120.953 120.400 0.104 0.000 2.394 232 D HA 0.122 4.762 4.640 -0.000 0.000 0.226 232 D C 1.374 177.763 176.300 0.149 0.000 0.990 232 D CA 0.482 54.601 54.000 0.198 0.000 0.902 232 D CB 0.895 41.802 40.800 0.179 0.000 1.038 232 D HN 0.241 nan 8.370 nan 0.000 0.499 233 I N 0.921 121.549 120.570 0.097 0.000 3.790 233 I HA 0.033 4.202 4.170 -0.000 0.000 0.305 233 I C 1.814 177.992 176.117 0.101 0.000 1.253 233 I CA 0.494 61.851 61.300 0.095 0.000 1.355 233 I CB 0.167 38.209 38.000 0.070 0.000 1.137 233 I HN -0.188 nan 8.210 nan 0.000 0.435 234 E N 1.040 121.283 120.200 0.071 0.000 2.273 234 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 234 E C 2.042 178.697 176.600 0.092 0.000 1.002 234 E CA 1.535 57.987 56.400 0.087 0.000 0.828 234 E CB -0.075 29.653 29.700 0.047 0.000 0.747 234 E HN 0.585 nan 8.360 nan 0.000 0.491 235 I N -0.151 120.451 120.570 0.053 0.000 2.142 235 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 235 I C 2.185 178.309 176.117 0.012 0.000 1.078 235 I CA 1.024 62.330 61.300 0.011 0.000 1.343 235 I CB -0.514 37.472 38.000 -0.022 0.000 1.046 235 I HN 0.095 nan 8.210 nan 0.000 0.405 236 I N 0.269 120.867 120.570 0.047 0.000 2.333 236 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 236 I C 2.447 178.619 176.117 0.092 0.000 1.106 236 I CA 1.179 62.498 61.300 0.031 0.000 1.411 236 I CB -0.530 37.502 38.000 0.054 0.000 1.082 236 I HN 0.045 nan 8.210 nan 0.000 0.420 237 F N 1.731 121.693 119.950 0.019 0.000 2.046 237 F HA -0.253 4.274 4.527 -0.001 0.000 0.297 237 F C 2.393 178.213 175.800 0.035 0.000 1.123 237 F CA 1.834 59.855 58.000 0.035 0.000 1.199 237 F CB -0.344 38.678 39.000 0.035 0.000 0.972 237 F HN -0.082 nan 8.300 nan 0.000 0.474 238 I N 0.408 121.040 120.570 0.103 0.000 2.194 238 I HA -0.403 3.767 4.170 -0.000 0.000 0.246 238 I C 2.264 178.324 176.117 -0.096 0.000 1.093 238 I CA 1.472 62.763 61.300 -0.017 0.000 1.355 238 I CB -0.752 37.292 38.000 0.074 0.000 1.046 238 I HN 0.304 nan 8.210 nan 0.000 0.413 239 N N 0.922 119.600 118.700 -0.038 0.000 2.051 239 N HA -0.124 4.616 4.740 -0.000 0.000 0.192 239 N C 1.949 177.469 175.510 0.017 0.000 1.049 239 N CA 1.298 54.362 53.050 0.024 0.000 0.845 239 N CB -0.175 38.345 38.487 0.055 0.000 1.031 239 N HN 0.146 nan 8.380 nan 0.000 0.425 240 I N 2.244 122.824 120.570 0.017 0.000 2.151 240 I HA -0.226 3.943 4.170 -0.000 0.000 0.243 240 I C 2.403 178.424 176.117 -0.159 0.000 1.080 240 I CA 1.289 62.574 61.300 -0.025 0.000 1.339 240 I CB -1.103 36.894 38.000 -0.006 0.000 1.039 240 I HN 0.249 nan 8.210 nan 0.000 0.409 241 E N 0.718 120.706 120.200 -0.354 0.000 2.051 241 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 241 E C 1.783 178.265 176.600 -0.196 0.000 0.991 241 E CA 1.446 57.598 56.400 -0.415 0.000 0.799 241 E CB -0.095 29.052 29.700 -0.921 0.000 0.748 241 E HN 0.402 nan 8.360 nan 0.000 0.449 242 D N 0.061 120.367 120.400 -0.156 0.000 2.149 242 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 242 D C 1.913 178.207 176.300 -0.010 0.000 0.990 242 D CA 0.578 54.541 54.000 -0.061 0.000 0.839 242 D CB -0.133 40.639 40.800 -0.046 0.000 0.948 242 D HN 0.093 nan 8.370 nan 0.000 0.460 243 L N 0.081 121.283 121.223 -0.034 0.000 2.093 243 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 243 L C 2.088 179.024 176.870 0.110 0.000 1.085 243 L CA 0.903 55.757 54.840 0.023 0.000 0.755 243 L CB -0.722 41.259 42.059 -0.129 0.000 0.904 243 L HN 0.123 nan 8.230 nan 0.000 0.435 244 L N -0.530 120.695 121.223 0.004 0.000 2.046 244 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 244 L C 2.674 179.609 176.870 0.108 0.000 1.077 244 L CA 1.703 56.553 54.840 0.017 0.000 0.747 244 L CB -0.713 41.321 42.059 -0.042 0.000 0.896 244 L HN 0.227 nan 8.230 nan 0.000 0.432 245 R N -1.033 119.528 120.500 0.102 0.000 2.066 245 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 245 R C 2.134 178.598 176.300 0.274 0.000 1.131 245 R CA 1.829 58.037 56.100 0.180 0.000 0.955 245 R CB -0.317 30.044 30.300 0.102 0.000 0.851 245 R HN 0.342 nan 8.270 nan 0.000 0.432 246 V N 0.678 120.713 119.914 0.202 0.000 2.287 246 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 246 V C 2.279 178.516 176.094 0.237 0.000 1.053 246 V CA 1.956 64.386 62.300 0.217 0.000 1.027 246 V CB -0.724 31.211 31.823 0.186 0.000 0.646 246 V HN 0.475 nan 8.190 nan 0.000 0.447 247 H N -0.542 118.689 119.070 0.268 0.000 2.395 247 H HA -0.095 4.461 4.556 0.000 0.000 0.299 247 H C 2.528 177.989 175.328 0.221 0.000 1.070 247 H CA 1.808 58.039 56.048 0.306 0.000 1.356 247 H CB -0.243 29.694 29.762 0.291 0.000 1.401 247 H HN 0.388 nan 8.280 nan 0.000 0.524 248 T N 0.147 114.857 114.554 0.260 0.000 2.699 248 T HA -0.186 4.163 4.350 -0.000 0.000 0.268 248 T C 1.737 176.462 174.700 0.043 0.000 1.036 248 T CA 1.711 63.880 62.100 0.115 0.000 1.147 248 T CB -0.272 68.636 68.868 0.067 0.000 0.862 248 T HN 0.514 nan 8.240 nan 0.000 0.446 249 H N -0.521 118.610 119.070 0.101 0.000 2.333 249 H HA 0.100 4.656 4.556 -0.001 0.000 0.302 249 H C 1.815 177.148 175.328 0.009 0.000 1.075 249 H CA 1.357 57.468 56.048 0.104 0.000 1.348 249 H CB -0.488 29.395 29.762 0.203 0.000 1.393 249 H HN 0.254 nan 8.280 nan 0.000 0.509 250 F N 0.998 120.790 119.950 -0.264 0.000 2.063 250 F HA -0.259 4.268 4.527 -0.001 0.000 0.298 250 F C 2.235 177.820 175.800 -0.358 0.000 1.109 250 F CA 1.245 58.778 58.000 -0.777 0.000 1.212 250 F CB -0.758 37.795 39.000 -0.745 0.000 0.973 250 F HN 0.173 nan 8.300 nan 0.000 0.480 251 L N 0.750 121.873 121.223 -0.167 0.000 2.083 251 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 251 L C 2.283 179.036 176.870 -0.196 0.000 1.083 251 L CA 1.881 56.599 54.840 -0.202 0.000 0.752 251 L CB -0.907 41.144 42.059 -0.012 0.000 0.899 251 L HN 0.102 nan 8.230 nan 0.000 0.433 252 K N -0.391 119.930 120.400 -0.132 0.000 2.032 252 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 252 K C 1.941 178.468 176.600 -0.121 0.000 1.048 252 K CA 2.064 58.287 56.287 -0.105 0.000 0.927 252 K CB -0.265 32.185 32.500 -0.083 0.000 0.712 252 K HN 0.497 nan 8.250 nan 0.000 0.441 253 E N 0.520 120.635 120.200 -0.141 0.000 2.152 253 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 253 E C 2.030 178.485 176.600 -0.242 0.000 0.983 253 E CA 0.680 57.000 56.400 -0.133 0.000 0.818 253 E CB -0.061 29.624 29.700 -0.026 0.000 0.758 253 E HN 0.309 nan 8.360 nan 0.000 0.467 254 M N 1.204 120.544 119.600 -0.433 0.000 2.086 254 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 254 M C 2.009 178.174 176.300 -0.225 0.000 1.067 254 M CA 1.601 56.634 55.300 -0.444 0.000 1.116 254 M CB 0.070 32.272 32.600 -0.664 0.000 1.348 254 M HN -0.099 nan 8.290 nan 0.000 0.407 255 K N 0.047 120.339 120.400 -0.181 0.000 2.032 255 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 255 K C 1.757 178.313 176.600 -0.072 0.000 1.048 255 K CA 2.024 58.250 56.287 -0.102 0.000 0.927 255 K CB -0.220 32.230 32.500 -0.082 0.000 0.712 255 K HN 0.501 nan 8.250 nan 0.000 0.441 256 E N 0.483 120.639 120.200 -0.074 0.000 2.038 256 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 256 E C 1.985 178.563 176.600 -0.037 0.000 1.000 256 E CA 1.312 57.684 56.400 -0.047 0.000 0.803 256 E CB -0.178 29.497 29.700 -0.042 0.000 0.750 256 E HN 0.329 nan 8.360 nan 0.000 0.448 257 A N 0.569 123.359 122.820 -0.050 0.000 2.070 257 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 257 A C 2.072 179.652 177.584 -0.005 0.000 1.159 257 A CA 1.024 53.045 52.037 -0.027 0.000 0.656 257 A CB -0.391 18.585 19.000 -0.040 0.000 0.800 257 A HN 0.138 nan 8.150 nan 0.000 0.453 258 L N -1.550 119.663 121.223 -0.018 0.000 2.168 258 L HA 0.057 4.397 4.340 -0.000 0.000 0.203 258 L C 2.805 179.679 176.870 0.007 0.000 1.078 258 L CA 0.783 55.623 54.840 0.000 0.000 0.780 258 L CB -0.581 41.471 42.059 -0.012 0.000 0.939 258 L HN 0.440 nan 8.230 nan 0.000 0.451 259 G N -0.132 108.666 108.800 -0.003 0.000 2.421 259 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 259 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 259 G C 0.725 175.632 174.900 0.013 0.000 1.171 259 G CA 0.843 45.945 45.100 0.003 0.000 0.775 259 G HN 0.399 nan 8.290 nan 0.000 0.543 260 T N 1.703 116.264 114.554 0.012 0.000 2.933 260 T HA 0.322 4.672 4.350 -0.000 0.000 0.306 260 T C -2.348 172.371 174.700 0.032 0.000 1.045 260 T CA -1.158 60.954 62.100 0.019 0.000 1.143 260 T CB 0.792 69.671 68.868 0.018 0.000 1.003 260 T HN -0.007 nan 8.240 nan 0.000 0.540 261 P HA 0.128 nan 4.420 nan 0.000 0.264 261 P C 1.383 178.717 177.300 0.058 0.000 1.173 261 P CA 1.459 64.586 63.100 0.045 0.000 0.761 261 P CB -0.142 31.580 31.700 0.037 0.000 0.794 262 G N 2.741 111.587 108.800 0.077 0.000 3.078 262 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.227 262 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.227 262 G C 0.550 175.507 174.900 0.094 0.000 1.306 262 G CA 0.520 45.676 45.100 0.094 0.000 0.841 262 G HN 1.366 nan 8.290 nan 0.000 0.530 263 A N -1.409 121.458 122.820 0.079 0.000 3.044 263 A HA 0.372 4.692 4.320 -0.000 0.000 0.278 263 A C 1.546 179.195 177.584 0.108 0.000 1.407 263 A CA 1.457 53.541 52.037 0.078 0.000 0.743 263 A CB -1.625 17.417 19.000 0.069 0.000 1.040 263 A HN 2.565 nan 8.150 nan 0.000 0.491 264 A N -0.629 122.262 122.820 0.119 0.000 2.343 264 A HA 0.319 4.639 4.320 -0.000 0.000 0.223 264 A C 1.348 179.076 177.584 0.239 0.000 1.214 264 A CA 1.057 53.200 52.037 0.176 0.000 0.900 264 A CB -0.136 18.952 19.000 0.147 0.000 0.942 264 A HN 0.668 nan 8.150 nan 0.000 0.507 265 N N -0.120 118.656 118.700 0.127 0.000 2.467 265 N HA -0.013 4.727 4.740 -0.000 0.000 0.184 265 N C 1.348 176.853 175.510 -0.009 0.000 1.106 265 N CA 0.317 53.388 53.050 0.035 0.000 0.892 265 N CB -0.267 38.220 38.487 0.001 0.000 0.969 265 N HN 0.409 nan 8.380 nan 0.000 0.454 266 L N 0.627 121.913 121.223 0.105 0.000 2.046 266 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 266 L C 1.956 178.970 176.870 0.240 0.000 1.077 266 L CA 1.587 56.510 54.840 0.138 0.000 0.747 266 L CB -1.094 41.080 42.059 0.191 0.000 0.896 266 L HN 0.360 nan 8.230 nan 0.000 0.432 267 Y N -0.958 119.457 120.300 0.192 0.000 2.465 267 Y HA -0.228 4.321 4.550 -0.001 0.000 0.289 267 Y C 2.306 178.336 175.900 0.217 0.000 1.150 267 Y CA 1.637 59.860 58.100 0.205 0.000 1.293 267 Y CB -0.942 37.582 38.460 0.105 0.000 0.977 267 Y HN 0.437 nan 8.280 nan 0.000 0.556 268 Q N 0.322 119.870 119.800 -0.421 0.000 2.204 268 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 268 Q C 2.113 178.075 176.000 -0.064 0.000 0.946 268 Q CA 1.129 56.694 55.803 -0.397 0.000 0.859 268 Q CB 0.060 28.501 28.738 -0.495 0.000 0.946 268 Q HN 0.448 nan 8.270 nan 0.000 0.474 269 V N 0.661 120.570 119.914 -0.008 0.000 2.287 269 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 269 V C 1.886 178.093 176.094 0.190 0.000 1.053 269 V CA 1.858 64.184 62.300 0.044 0.000 1.027 269 V CB -0.754 30.963 31.823 -0.176 0.000 0.646 269 V HN 0.329 nan 8.190 nan 0.000 0.447 270 F N -0.200 119.880 119.950 0.216 0.000 2.095 270 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 270 F C 2.224 178.114 175.800 0.150 0.000 1.104 270 F CA 1.935 60.084 58.000 0.249 0.000 1.232 270 F CB -0.517 38.598 39.000 0.192 0.000 0.987 270 F HN 0.048 nan 8.300 nan 0.000 0.475 271 I N -0.422 120.320 120.570 0.287 0.000 2.252 271 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 271 I C 2.475 178.626 176.117 0.057 0.000 1.102 271 I CA 1.199 62.590 61.300 0.152 0.000 1.385 271 I CB -0.455 37.617 38.000 0.119 0.000 1.064 271 I HN 0.065 nan 8.210 nan 0.000 0.414 272 K N 0.564 120.985 120.400 0.034 0.000 2.074 272 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 272 K C 1.700 178.174 176.600 -0.211 0.000 1.048 272 K CA 1.848 58.091 56.287 -0.073 0.000 0.926 272 K CB -0.118 32.355 32.500 -0.044 0.000 0.713 272 K HN 0.280 nan 8.250 nan 0.000 0.444 273 Y N 0.417 120.577 120.300 -0.233 0.000 2.466 273 Y HA 0.026 4.576 4.550 -0.000 0.000 0.272 273 Y C 1.914 177.418 175.900 -0.660 0.000 1.169 273 Y CA 0.244 58.002 58.100 -0.569 0.000 1.285 273 Y CB 0.340 38.235 38.460 -0.942 0.000 1.078 273 Y HN 0.075 nan 8.280 nan 0.000 0.523 274 K N 1.569 121.877 120.400 -0.152 0.000 2.009 274 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 274 K C 1.835 178.426 176.600 -0.015 0.000 1.049 274 K CA 2.250 58.536 56.287 -0.002 0.000 0.929 274 K CB -0.080 32.462 32.500 0.071 0.000 0.714 274 K HN 0.539 nan 8.250 nan 0.000 0.440 275 E N 0.392 120.551 120.200 -0.069 0.000 2.150 275 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 275 E C 1.978 178.546 176.600 -0.052 0.000 0.985 275 E CA 0.787 57.162 56.400 -0.042 0.000 0.814 275 E CB -0.228 29.437 29.700 -0.058 0.000 0.752 275 E HN 0.304 nan 8.360 nan 0.000 0.466 276 R N -0.052 120.350 120.500 -0.163 0.000 2.105 276 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 276 R C 1.753 178.068 176.300 0.024 0.000 1.135 276 R CA 1.399 57.409 56.100 -0.150 0.000 0.967 276 R CB -0.399 29.721 30.300 -0.300 0.000 0.861 276 R HN 0.203 nan 8.270 nan 0.000 0.442 277 F N 1.004 120.984 119.950 0.050 0.000 2.771 277 F HA 0.037 4.564 4.527 0.001 0.000 0.299 277 F C 1.844 177.777 175.800 0.223 0.000 1.177 277 F CA 0.191 58.288 58.000 0.161 0.000 1.450 277 F CB -0.403 38.641 39.000 0.073 0.000 1.114 277 F HN -0.030 nan 8.300 nan 0.000 0.587 278 L N -0.150 121.240 121.223 0.277 0.000 2.465 278 L HA -0.116 4.224 4.340 -0.000 0.000 0.224 278 L C 2.310 179.291 176.870 0.185 0.000 1.145 278 L CA 0.464 55.426 54.840 0.202 0.000 0.834 278 L CB -0.658 41.469 42.059 0.114 0.000 0.944 278 L HN 0.104 nan 8.230 nan 0.000 0.451 279 V N -4.287 115.727 119.914 0.167 0.000 2.688 279 V HA -0.302 3.818 4.120 -0.000 0.000 0.256 279 V C 2.081 178.234 176.094 0.099 0.000 1.084 279 V CA 1.313 63.669 62.300 0.094 0.000 1.103 279 V CB -1.320 30.520 31.823 0.030 0.000 0.688 279 V HN 0.307 nan 8.190 nan 0.000 0.480 280 Y N 2.556 122.942 120.300 0.143 0.000 2.333 280 Y HA 0.055 4.604 4.550 -0.001 0.000 0.290 280 Y C 2.653 178.639 175.900 0.144 0.000 1.144 280 Y CA 1.567 59.739 58.100 0.120 0.000 1.228 280 Y CB -0.860 37.627 38.460 0.046 0.000 0.985 280 Y HN 0.355 nan 8.280 nan 0.000 0.542 281 G N -0.232 108.714 108.800 0.243 0.000 2.433 281 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 281 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 281 G C 1.793 176.778 174.900 0.142 0.000 1.186 281 G CA 0.826 46.026 45.100 0.168 0.000 0.779 281 G HN 0.253 nan 8.290 nan 0.000 0.543 282 R N -0.708 119.864 120.500 0.121 0.000 2.083 282 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 282 R C 2.232 178.584 176.300 0.088 0.000 1.137 282 R CA 1.798 57.947 56.100 0.082 0.000 0.951 282 R CB -0.646 29.692 30.300 0.063 0.000 0.851 282 R HN 0.479 nan 8.270 nan 0.000 0.434 283 Y N 0.410 120.713 120.300 0.005 0.000 2.070 283 Y HA -0.250 4.299 4.550 -0.001 0.000 0.280 283 Y C 2.061 177.977 175.900 0.028 0.000 1.148 283 Y CA 1.873 59.969 58.100 -0.007 0.000 1.125 283 Y CB -0.351 38.076 38.460 -0.055 0.000 0.975 283 Y HN 0.106 nan 8.280 nan 0.000 0.492 284 C N 0.523 120.057 119.300 0.391 0.000 2.477 284 C HA 0.079 4.539 4.460 -0.000 0.000 0.321 284 C C 2.349 177.407 174.990 0.113 0.000 1.369 284 C CA 1.086 60.278 59.018 0.291 0.000 1.607 284 C CB -2.278 25.620 27.740 0.263 0.000 1.632 284 C HN 0.655 nan 8.230 nan 0.000 0.597 285 S N -0.877 114.853 115.700 0.049 0.000 2.818 285 S HA 0.066 4.536 4.470 -0.000 0.000 0.251 285 S C 1.497 176.071 174.600 -0.044 0.000 1.083 285 S CA 0.115 58.320 58.200 0.009 0.000 0.871 285 S CB 0.025 63.241 63.200 0.027 0.000 0.831 285 S HN 0.638 nan 8.310 nan 0.000 0.470 286 Q N 0.534 120.281 119.800 -0.088 0.000 2.391 286 Q HA 0.225 4.565 4.340 -0.000 0.000 0.211 286 Q C 1.951 177.844 176.000 -0.179 0.000 0.908 286 Q CA 0.739 56.467 55.803 -0.124 0.000 0.920 286 Q CB 0.063 28.726 28.738 -0.126 0.000 1.056 286 Q HN 0.408 nan 8.270 nan 0.000 0.523 287 V N 1.960 121.705 119.914 -0.281 0.000 2.231 287 V HA -0.354 3.765 4.120 -0.000 0.000 0.248 287 V C 1.560 177.574 176.094 -0.134 0.000 1.054 287 V CA 2.323 64.430 62.300 -0.323 0.000 1.015 287 V CB -0.185 31.415 31.823 -0.373 0.000 0.638 287 V HN 0.387 nan 8.190 nan 0.000 0.444 288 E N 0.289 120.445 120.200 -0.074 0.000 2.396 288 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 288 E C 2.127 178.708 176.600 -0.031 0.000 1.023 288 E CA 1.365 57.745 56.400 -0.034 0.000 0.857 288 E CB -0.179 29.509 29.700 -0.021 0.000 0.775 288 E HN 0.881 nan 8.360 nan 0.000 0.525 289 S N -0.135 115.537 115.700 -0.047 0.000 2.506 289 S HA 0.199 4.669 4.470 -0.000 0.000 0.230 289 S C 2.181 176.780 174.600 -0.002 0.000 1.066 289 S CA 0.202 58.384 58.200 -0.030 0.000 0.940 289 S CB 0.205 63.373 63.200 -0.053 0.000 0.818 289 S HN 0.215 nan 8.310 nan 0.000 0.518 290 A N 1.621 124.424 122.820 -0.029 0.000 2.015 290 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 290 A C 2.320 179.939 177.584 0.058 0.000 1.163 290 A CA 1.710 53.757 52.037 0.017 0.000 0.646 290 A CB -1.012 17.968 19.000 -0.033 0.000 0.806 290 A HN 0.576 nan 8.150 nan 0.000 0.448 291 S N -0.751 114.957 115.700 0.013 0.000 2.414 291 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 291 S C 1.891 176.508 174.600 0.028 0.000 1.022 291 S CA 1.271 59.479 58.200 0.014 0.000 0.958 291 S CB -0.220 62.977 63.200 -0.004 0.000 0.797 291 S HN 0.606 nan 8.310 nan 0.000 0.493 292 K N -0.465 119.957 120.400 0.037 0.000 2.228 292 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 292 K C 2.009 178.646 176.600 0.061 0.000 1.051 292 K CA 1.136 57.445 56.287 0.038 0.000 0.960 292 K CB -0.226 32.292 32.500 0.029 0.000 0.743 292 K HN 0.488 nan 8.250 nan 0.000 0.458 293 H N 1.285 120.348 119.070 -0.012 0.000 2.333 293 H HA -0.078 4.478 4.556 -0.000 0.000 0.302 293 H C 1.940 177.270 175.328 0.003 0.000 1.075 293 H CA 1.363 57.408 56.048 -0.006 0.000 1.348 293 H CB -0.095 29.661 29.762 -0.010 0.000 1.393 293 H HN 0.084 nan 8.280 nan 0.000 0.509 294 L N 0.538 121.759 121.223 -0.002 0.000 2.013 294 L HA -0.185 4.154 4.340 -0.000 0.000 0.212 294 L C 1.440 178.273 176.870 -0.061 0.000 1.073 294 L CA 2.339 57.153 54.840 -0.043 0.000 0.753 294 L CB -0.705 41.361 42.059 0.012 0.000 0.890 294 L HN 0.225 nan 8.230 nan 0.000 0.432 295 D N -0.480 119.900 120.400 -0.033 0.000 2.264 295 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 295 D C 2.307 178.580 176.300 -0.044 0.000 0.966 295 D CA 0.940 54.925 54.000 -0.025 0.000 0.864 295 D CB -0.033 40.765 40.800 -0.004 0.000 0.933 295 D HN 0.463 nan 8.370 nan 0.000 0.499 296 R N -0.183 120.267 120.500 -0.084 0.000 2.127 296 R HA 0.049 4.389 4.340 -0.000 0.000 0.217 296 R C 1.909 178.142 176.300 -0.112 0.000 1.074 296 R CA 0.252 56.299 56.100 -0.088 0.000 0.991 296 R CB 0.164 30.409 30.300 -0.092 0.000 0.895 296 R HN 0.009 nan 8.270 nan 0.000 0.450 297 V N 0.939 120.749 119.914 -0.173 0.000 3.510 297 V HA -0.046 4.074 4.120 -0.000 0.000 0.270 297 V C 1.739 177.801 176.094 -0.055 0.000 1.201 297 V CA 1.175 63.398 62.300 -0.128 0.000 1.166 297 V CB -0.193 31.531 31.823 -0.166 0.000 0.825 297 V HN 0.334 nan 8.190 nan 0.000 0.484 298 A N 0.770 123.564 122.820 -0.044 0.000 1.843 298 A HA 0.121 4.440 4.320 -0.000 0.000 0.213 298 A C 2.450 180.029 177.584 -0.009 0.000 1.239 298 A CA 1.384 53.412 52.037 -0.015 0.000 0.606 298 A CB -0.914 18.080 19.000 -0.010 0.000 0.903 298 A HN 0.495 nan 8.150 nan 0.000 0.455 299 A N -0.018 122.794 122.820 -0.013 0.000 1.917 299 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 299 A C 2.280 179.860 177.584 -0.007 0.000 1.182 299 A CA 2.180 54.213 52.037 -0.007 0.000 0.633 299 A CB -1.043 17.953 19.000 -0.007 0.000 0.819 299 A HN 1.230 nan 8.150 nan 0.000 0.448 300 A N -1.407 121.403 122.820 -0.015 0.000 2.255 300 A HA 0.324 4.644 4.320 -0.000 0.000 0.206 300 A C 0.901 178.482 177.584 -0.005 0.000 1.193 300 A CA 0.295 52.325 52.037 -0.013 0.000 0.794 300 A CB -0.166 18.820 19.000 -0.023 0.000 0.794 300 A HN 0.493 nan 8.150 nan 0.000 0.481 301 R N -1.798 118.703 120.500 0.002 0.000 2.629 301 R HA 0.288 4.628 4.340 -0.000 0.000 0.266 301 R C -0.264 176.048 176.300 0.021 0.000 1.051 301 R CA -0.487 55.622 56.100 0.014 0.000 0.895 301 R CB 1.145 31.459 30.300 0.024 0.000 1.246 301 R HN 0.344 nan 8.270 nan 0.000 0.459 302 E N 0.792 121.008 120.200 0.026 0.000 2.099 302 E HA -0.114 4.235 4.350 -0.000 0.000 0.191 302 E C 0.584 177.214 176.600 0.050 0.000 0.962 302 E CA 0.840 57.258 56.400 0.030 0.000 0.826 302 E CB 0.198 29.912 29.700 0.023 0.000 0.788 302 E HN 0.637 nan 8.360 nan 0.000 0.461 303 D N 1.274 121.712 120.400 0.063 0.000 2.354 303 D HA -0.120 4.519 4.640 -0.000 0.000 0.216 303 D C 1.702 178.096 176.300 0.157 0.000 0.970 303 D CA 0.598 54.665 54.000 0.112 0.000 0.905 303 D CB -0.086 40.774 40.800 0.100 0.000 0.903 303 D HN 0.061 nan 8.370 nan 0.000 0.508 304 V N -0.066 119.912 119.914 0.106 0.000 2.635 304 V HA -0.125 3.995 4.120 -0.000 0.000 0.233 304 V C 2.555 178.682 176.094 0.056 0.000 1.097 304 V CA 1.056 63.411 62.300 0.093 0.000 1.134 304 V CB -0.505 31.360 31.823 0.071 0.000 0.841 304 V HN 0.133 nan 8.190 nan 0.000 0.496 305 Q N 0.462 120.286 119.800 0.040 0.000 2.197 305 Q HA -0.315 4.024 4.340 -0.000 0.000 0.211 305 Q C 2.062 178.081 176.000 0.031 0.000 0.993 305 Q CA 3.030 58.851 55.803 0.030 0.000 0.883 305 Q CB -0.557 28.194 28.738 0.021 0.000 0.916 305 Q HN 0.667 nan 8.270 nan 0.000 0.418 306 M N -1.155 118.467 119.600 0.037 0.000 2.349 306 M HA -0.070 4.410 4.480 -0.000 0.000 0.266 306 M C 1.816 178.131 176.300 0.025 0.000 1.076 306 M CA 1.532 56.851 55.300 0.032 0.000 1.126 306 M CB 0.060 32.684 32.600 0.040 0.000 1.392 306 M HN 0.127 nan 8.290 nan 0.000 0.440 307 K N 0.528 120.941 120.400 0.022 0.000 2.284 307 K HA 0.098 4.418 4.320 -0.000 0.000 0.198 307 K C 1.389 177.984 176.600 -0.008 0.000 1.048 307 K CA 0.353 56.626 56.287 -0.023 0.000 0.987 307 K CB 0.118 32.561 32.500 -0.095 0.000 0.800 307 K HN 0.425 nan 8.250 nan 0.000 0.486 308 L N 0.903 122.147 121.223 0.035 0.000 2.675 308 L HA 0.036 4.376 4.340 -0.000 0.000 0.239 308 L C 1.198 178.125 176.870 0.095 0.000 1.151 308 L CA 0.405 55.302 54.840 0.094 0.000 0.905 308 L CB -0.062 42.052 42.059 0.091 0.000 1.057 308 L HN 0.130 nan 8.230 nan 0.000 0.435 309 E N -0.214 120.016 120.200 0.051 0.000 2.372 309 E HA -0.085 4.265 4.350 -0.000 0.000 0.201 309 E C 1.662 178.274 176.600 0.020 0.000 0.938 309 E CA 0.059 56.483 56.400 0.040 0.000 0.944 309 E CB 0.525 30.238 29.700 0.022 0.000 0.937 309 E HN 0.475 nan 8.360 nan 0.000 0.495 310 E N 0.968 121.167 120.200 -0.003 0.000 2.005 310 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 310 E C 2.033 178.586 176.600 -0.077 0.000 0.987 310 E CA 1.316 57.692 56.400 -0.040 0.000 0.814 310 E CB -0.138 29.527 29.700 -0.058 0.000 0.772 310 E HN 0.151 nan 8.360 nan 0.000 0.453 311 C N 0.833 120.071 119.300 -0.103 0.000 2.375 311 C HA -0.201 4.259 4.460 -0.000 0.000 0.274 311 C C 3.137 177.985 174.990 -0.237 0.000 1.190 311 C CA 1.402 60.260 59.018 -0.268 0.000 1.775 311 C CB -1.313 26.306 27.740 -0.202 0.000 2.067 311 C HN 0.605 nan 8.230 nan 0.000 0.463 312 S N -0.398 115.373 115.700 0.117 0.000 2.363 312 S HA -0.260 4.210 4.470 -0.000 0.000 0.218 312 S C 1.939 176.569 174.600 0.051 0.000 1.035 312 S CA 2.197 60.525 58.200 0.213 0.000 1.043 312 S CB -0.515 62.799 63.200 0.190 0.000 0.986 312 S HN 0.641 nan 8.310 nan 0.000 0.423 313 Q N 1.252 121.056 119.800 0.007 0.000 2.096 313 Q HA -0.180 4.160 4.340 -0.000 0.000 0.208 313 Q C 2.245 178.202 176.000 -0.072 0.000 0.993 313 Q CA 2.262 58.048 55.803 -0.028 0.000 0.862 313 Q CB -0.447 28.275 28.738 -0.028 0.000 0.915 313 Q HN 0.588 nan 8.270 nan 0.000 0.416 314 R N -0.867 119.562 120.500 -0.118 0.000 2.075 314 R HA -0.158 4.182 4.340 -0.000 0.000 0.230 314 R C 2.130 178.258 176.300 -0.286 0.000 1.140 314 R CA 1.595 57.588 56.100 -0.178 0.000 0.928 314 R CB -0.651 29.535 30.300 -0.190 0.000 0.834 314 R HN 0.330 nan 8.270 nan 0.000 0.429 315 A N 1.203 123.778 122.820 -0.409 0.000 1.873 315 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 315 A C 1.453 178.887 177.584 -0.249 0.000 1.193 315 A CA 2.221 53.907 52.037 -0.585 0.000 0.629 315 A CB -0.625 18.111 19.000 -0.440 0.000 0.826 315 A HN 0.798 nan 8.150 nan 0.000 0.447 316 N N -3.888 114.786 118.700 -0.043 0.000 2.184 316 N HA 0.137 4.877 4.740 -0.000 0.000 0.234 316 N C 0.061 175.581 175.510 0.018 0.000 1.282 316 N CA 0.456 53.535 53.050 0.048 0.000 0.877 316 N CB 0.101 38.723 38.487 0.225 0.000 1.184 316 N HN 0.299 nan 8.380 nan 0.000 0.510 317 N N 0.326 119.013 118.700 -0.022 0.000 2.780 317 N HA -0.136 4.604 4.740 -0.000 0.000 0.248 317 N C 0.802 176.292 175.510 -0.032 0.000 1.102 317 N CA 1.284 54.315 53.050 -0.032 0.000 0.697 317 N CB -1.462 37.004 38.487 -0.035 0.000 1.028 317 N HN 0.836 nan 8.380 nan 0.000 0.554 318 G N -1.098 107.696 108.800 -0.011 0.000 2.148 318 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.254 318 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.254 318 G C 0.967 175.811 174.900 -0.094 0.000 0.981 318 G CA 0.636 45.723 45.100 -0.023 0.000 0.670 318 G HN 0.614 nan 8.290 nan 0.000 0.528 319 R N -1.219 119.181 120.500 -0.166 0.000 2.200 319 R HA 0.331 4.671 4.340 -0.000 0.000 0.208 319 R C 0.077 175.912 176.300 -0.775 0.000 1.033 319 R CA 0.778 56.586 56.100 -0.486 0.000 1.000 319 R CB 0.199 30.133 30.300 -0.610 0.000 0.906 319 R HN 0.424 nan 8.270 nan 0.000 0.462 320 F N 0.082 120.054 119.950 0.037 0.000 2.585 320 F HA 0.154 4.681 4.527 0.001 0.000 0.319 320 F C 0.414 176.244 175.800 0.049 0.000 1.165 320 F CA -1.193 56.829 58.000 0.036 0.000 0.949 320 F CB 1.731 40.753 39.000 0.037 0.000 1.218 320 F HN -0.159 nan 8.300 nan 0.000 0.453 321 T N -0.084 114.582 114.554 0.187 0.000 2.828 321 T HA 0.178 4.527 4.350 -0.000 0.000 0.290 321 T C 0.994 175.687 174.700 -0.011 0.000 1.019 321 T CA -0.670 61.492 62.100 0.104 0.000 1.031 321 T CB 1.104 70.011 68.868 0.065 0.000 1.001 321 T HN 0.604 nan 8.240 nan 0.000 0.531 322 L N 0.812 121.953 121.223 -0.137 0.000 2.079 322 L HA 0.020 4.359 4.340 -0.000 0.000 0.210 322 L C 2.834 179.600 176.870 -0.173 0.000 1.081 322 L CA 1.567 56.183 54.840 -0.373 0.000 0.752 322 L CB -0.842 40.987 42.059 -0.383 0.000 0.896 322 L HN 0.702 nan 8.230 nan 0.000 0.433 323 R N -0.221 120.242 120.500 -0.062 0.000 2.082 323 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 323 R C 1.970 178.274 176.300 0.006 0.000 1.136 323 R CA 1.829 57.921 56.100 -0.014 0.000 0.935 323 R CB -0.808 29.501 30.300 0.015 0.000 0.842 323 R HN 0.459 nan 8.270 nan 0.000 0.430 324 D N 0.799 121.222 120.400 0.039 0.000 2.157 324 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 324 D C 1.978 178.288 176.300 0.018 0.000 1.004 324 D CA 1.426 55.475 54.000 0.083 0.000 0.854 324 D CB -0.292 40.634 40.800 0.211 0.000 0.936 324 D HN 0.263 nan 8.370 nan 0.000 0.446 325 L N 0.098 121.289 121.223 -0.052 0.000 2.179 325 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 325 L C 2.587 179.443 176.870 -0.024 0.000 1.096 325 L CA 0.284 55.063 54.840 -0.102 0.000 0.779 325 L CB -0.295 41.645 42.059 -0.198 0.000 0.922 325 L HN 0.023 nan 8.230 nan 0.000 0.443 326 L N -0.623 120.599 121.223 -0.002 0.000 2.191 326 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 326 L C 2.523 179.500 176.870 0.177 0.000 1.103 326 L CA 1.228 56.131 54.840 0.105 0.000 0.769 326 L CB -0.392 41.699 42.059 0.054 0.000 0.908 326 L HN 0.364 nan 8.230 nan 0.000 0.438 327 M N -1.151 118.511 119.600 0.105 0.000 2.460 327 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 327 M C 2.139 178.496 176.300 0.095 0.000 1.071 327 M CA 0.822 56.185 55.300 0.106 0.000 1.096 327 M CB -0.159 32.485 32.600 0.074 0.000 1.408 327 M HN 0.078 nan 8.290 nan 0.000 0.463 328 V N 0.697 120.666 119.914 0.092 0.000 2.307 328 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 328 V C -0.587 175.568 176.094 0.102 0.000 1.045 328 V CA 1.816 64.185 62.300 0.116 0.000 1.024 328 V CB -1.894 29.996 31.823 0.112 0.000 0.651 328 V HN 0.269 nan 8.190 nan 0.000 0.449 329 P HA -0.169 nan 4.420 nan 0.000 0.215 329 P C 1.952 179.227 177.300 -0.041 0.000 1.153 329 P CA 1.665 64.788 63.100 0.039 0.000 0.853 329 P CB -0.163 31.298 31.700 -0.399 0.000 0.788 330 M N -1.421 118.181 119.600 0.003 0.000 2.149 330 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 330 M C 2.075 178.289 176.300 -0.144 0.000 1.064 330 M CA 1.711 57.018 55.300 0.012 0.000 1.102 330 M CB -0.892 31.760 32.600 0.086 0.000 1.369 330 M HN -0.029 nan 8.290 nan 0.000 0.408 331 Q N -0.064 119.615 119.800 -0.200 0.000 2.137 331 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 331 Q C 2.116 177.707 176.000 -0.682 0.000 0.960 331 Q CA 1.273 56.831 55.803 -0.408 0.000 0.847 331 Q CB -0.464 28.032 28.738 -0.403 0.000 0.915 331 Q HN 0.361 nan 8.270 nan 0.000 0.448 332 R N 0.955 121.073 120.500 -0.637 0.000 2.073 332 R HA -0.073 4.266 4.340 -0.000 0.000 0.234 332 R C 2.093 177.857 176.300 -0.892 0.000 1.134 332 R CA 1.232 56.826 56.100 -0.843 0.000 0.952 332 R CB -1.081 28.517 30.300 -1.171 0.000 0.850 332 R HN 0.140 nan 8.270 nan 0.000 0.433 333 V N 0.551 119.994 119.914 -0.785 0.000 2.490 333 V HA -0.140 3.979 4.120 -0.000 0.000 0.250 333 V C 1.887 177.738 176.094 -0.404 0.000 1.061 333 V CA 1.815 63.670 62.300 -0.741 0.000 1.064 333 V CB -0.245 30.898 31.823 -1.132 0.000 0.670 333 V HN 0.389 nan 8.190 nan 0.000 0.461 334 L N -0.431 120.575 121.223 -0.361 0.000 2.551 334 L HA -0.025 4.315 4.340 -0.000 0.000 0.228 334 L C 2.336 179.083 176.870 -0.205 0.000 1.153 334 L CA 0.816 55.550 54.840 -0.177 0.000 0.851 334 L CB -0.537 41.422 42.059 -0.166 0.000 0.959 334 L HN 0.254 nan 8.230 nan 0.000 0.451 335 K N -0.962 119.168 120.400 -0.450 0.000 2.323 335 K HA 0.017 4.337 4.320 -0.000 0.000 0.197 335 K C 1.880 178.258 176.600 -0.370 0.000 1.043 335 K CA 0.551 56.552 56.287 -0.476 0.000 0.997 335 K CB -0.030 32.131 32.500 -0.565 0.000 0.807 335 K HN 0.196 nan 8.250 nan 0.000 0.497 336 Y N 1.734 121.967 120.300 -0.112 0.000 2.097 336 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 336 Y C 2.634 178.488 175.900 -0.076 0.000 1.152 336 Y CA 2.123 60.216 58.100 -0.011 0.000 1.136 336 Y CB -1.309 37.217 38.460 0.109 0.000 0.975 336 Y HN 0.429 nan 8.280 nan 0.000 0.498 337 H N -1.468 117.621 119.070 0.031 0.000 2.387 337 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 337 H C 1.858 177.151 175.328 -0.058 0.000 1.099 337 H CA 1.924 57.949 56.048 -0.038 0.000 1.315 337 H CB -0.957 28.782 29.762 -0.039 0.000 1.380 337 H HN 0.307 nan 8.280 nan 0.000 0.513 338 L N 0.150 120.986 121.223 -0.645 0.000 2.046 338 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 338 L C 2.563 179.319 176.870 -0.190 0.000 1.077 338 L CA 1.014 55.603 54.840 -0.419 0.000 0.747 338 L CB -0.392 41.413 42.059 -0.423 0.000 0.896 338 L HN 0.325 nan 8.230 nan 0.000 0.432 339 L N -0.597 120.548 121.223 -0.131 0.000 2.056 339 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 339 L C 2.498 179.343 176.870 -0.041 0.000 1.078 339 L CA 1.120 55.936 54.840 -0.040 0.000 0.749 339 L CB -0.394 41.692 42.059 0.046 0.000 0.901 339 L HN 0.255 nan 8.230 nan 0.000 0.433 340 L N -0.782 120.389 121.223 -0.086 0.000 2.093 340 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 340 L C 2.638 179.456 176.870 -0.086 0.000 1.085 340 L CA 1.045 55.812 54.840 -0.123 0.000 0.755 340 L CB -0.426 41.492 42.059 -0.236 0.000 0.904 340 L HN 0.381 nan 8.230 nan 0.000 0.435 341 Q N 0.126 119.876 119.800 -0.083 0.000 2.096 341 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 341 Q C 2.035 177.980 176.000 -0.091 0.000 0.982 341 Q CA 1.948 57.706 55.803 -0.075 0.000 0.850 341 Q CB 0.159 28.852 28.738 -0.074 0.000 0.901 341 Q HN 0.303 nan 8.270 nan 0.000 0.422 342 E N -0.289 119.864 120.200 -0.078 0.000 2.170 342 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 342 E C 1.628 178.198 176.600 -0.049 0.000 0.981 342 E CA 0.314 56.668 56.400 -0.076 0.000 0.830 342 E CB -0.105 29.591 29.700 -0.007 0.000 0.775 342 E HN 0.309 nan 8.360 nan 0.000 0.470 343 L N -0.301 120.916 121.223 -0.009 0.000 2.191 343 L HA -0.058 4.281 4.340 -0.000 0.000 0.212 343 L C 1.934 178.796 176.870 -0.014 0.000 1.103 343 L CA 1.231 56.086 54.840 0.026 0.000 0.769 343 L CB -0.267 41.808 42.059 0.026 0.000 0.908 343 L HN 0.077 nan 8.230 nan 0.000 0.438 344 V N -0.658 119.217 119.914 -0.065 0.000 2.591 344 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 344 V C 2.420 178.440 176.094 -0.123 0.000 1.053 344 V CA 1.346 63.602 62.300 -0.074 0.000 1.068 344 V CB -0.433 31.348 31.823 -0.070 0.000 0.689 344 V HN 0.452 nan 8.190 nan 0.000 0.462 345 K N -0.727 119.528 120.400 -0.242 0.000 2.280 345 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 345 K C 1.383 177.735 176.600 -0.412 0.000 1.047 345 K CA 0.973 57.031 56.287 -0.383 0.000 0.942 345 K CB -0.088 32.060 32.500 -0.587 0.000 0.739 345 K HN 0.574 nan 8.250 nan 0.000 0.457 346 H N -0.568 118.499 119.070 -0.005 0.000 2.784 346 H HA 0.125 4.680 4.556 -0.001 0.000 0.273 346 H C -0.176 175.160 175.328 0.014 0.000 1.112 346 H CA 0.100 56.150 56.048 0.003 0.000 1.162 346 H CB 0.651 30.409 29.762 -0.007 0.000 1.586 346 H HN -0.066 nan 8.280 nan 0.000 0.548 347 T N 2.100 116.699 114.554 0.074 0.000 2.781 347 T HA 0.128 4.477 4.350 -0.000 0.000 0.305 347 T C 1.405 176.129 174.700 0.041 0.000 1.001 347 T CA -0.566 61.571 62.100 0.062 0.000 0.950 347 T CB 1.461 70.350 68.868 0.035 0.000 0.955 347 T HN 0.430 nan 8.240 nan 0.000 0.471 348 Q N 2.034 121.868 119.800 0.058 0.000 2.212 348 Q HA 0.084 4.424 4.340 -0.000 0.000 0.199 348 Q C 0.889 176.903 176.000 0.023 0.000 0.950 348 Q CA 0.201 56.028 55.803 0.039 0.000 0.863 348 Q CB 0.136 28.904 28.738 0.051 0.000 0.944 348 Q HN 0.748 nan 8.270 nan 0.000 0.465 349 E N 0.585 120.802 120.200 0.029 0.000 2.502 349 E HA 0.006 4.356 4.350 -0.000 0.000 0.261 349 E C 0.398 176.997 176.600 -0.002 0.000 0.974 349 E CA 0.365 56.774 56.400 0.016 0.000 0.936 349 E CB 0.738 30.452 29.700 0.023 0.000 0.926 349 E HN 0.370 nan 8.360 nan 0.000 0.459 350 A N 4.940 127.755 122.820 -0.007 0.000 1.877 350 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 350 A C 1.910 179.474 177.584 -0.034 0.000 1.186 350 A CA 1.602 53.627 52.037 -0.019 0.000 0.620 350 A CB -0.357 18.634 19.000 -0.015 0.000 0.822 350 A HN 0.775 nan 8.150 nan 0.000 0.443 351 M N -0.511 119.069 119.600 -0.032 0.000 2.175 351 M HA -0.038 4.442 4.480 -0.000 0.000 0.264 351 M C 1.745 177.993 176.300 -0.087 0.000 1.063 351 M CA 1.259 56.527 55.300 -0.053 0.000 1.119 351 M CB -0.585 31.995 32.600 -0.034 0.000 1.377 351 M HN 0.387 nan 8.290 nan 0.000 0.415 352 E N 0.572 120.739 120.200 -0.055 0.000 2.007 352 E HA -0.245 4.105 4.350 -0.000 0.000 0.203 352 E C 2.010 178.552 176.600 -0.097 0.000 1.020 352 E CA 1.453 57.816 56.400 -0.061 0.000 0.845 352 E CB -0.536 29.160 29.700 -0.005 0.000 0.779 352 E HN 0.473 nan 8.360 nan 0.000 0.466 353 K N 0.337 120.700 120.400 -0.062 0.000 2.049 353 K HA -0.259 4.061 4.320 -0.000 0.000 0.219 353 K C 2.172 178.716 176.600 -0.093 0.000 1.056 353 K CA 1.884 58.133 56.287 -0.063 0.000 0.946 353 K CB -0.377 32.096 32.500 -0.045 0.000 0.723 353 K HN 0.208 nan 8.250 nan 0.000 0.453 354 E N 0.201 120.340 120.200 -0.102 0.000 2.333 354 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 354 E C 1.451 177.953 176.600 -0.163 0.000 1.007 354 E CA 0.689 57.026 56.400 -0.105 0.000 0.845 354 E CB 0.200 29.849 29.700 -0.084 0.000 0.766 354 E HN 0.258 nan 8.360 nan 0.000 0.507 355 N N 0.058 118.588 118.700 -0.284 0.000 2.258 355 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 355 N C 1.828 177.162 175.510 -0.294 0.000 1.029 355 N CA 0.612 53.324 53.050 -0.562 0.000 0.857 355 N CB -0.248 37.489 38.487 -1.251 0.000 1.008 355 N HN 0.183 nan 8.380 nan 0.000 0.433 356 L N 1.047 122.171 121.223 -0.165 0.000 2.127 356 L HA -0.082 4.257 4.340 -0.000 0.000 0.211 356 L C 2.175 179.025 176.870 -0.034 0.000 1.089 356 L CA 0.993 55.818 54.840 -0.025 0.000 0.757 356 L CB -0.216 41.830 42.059 -0.022 0.000 0.899 356 L HN 0.135 nan 8.230 nan 0.000 0.434 357 R N -0.357 120.111 120.500 -0.054 0.000 2.235 357 R HA -0.050 4.290 4.340 -0.000 0.000 0.213 357 R C 2.168 178.460 176.300 -0.013 0.000 1.059 357 R CA 0.681 56.758 56.100 -0.037 0.000 0.997 357 R CB -0.072 30.202 30.300 -0.043 0.000 0.884 357 R HN 0.395 nan 8.270 nan 0.000 0.462 358 L N -0.171 121.054 121.223 0.003 0.000 2.044 358 L HA -0.085 4.254 4.340 -0.000 0.000 0.205 358 L C 2.617 179.541 176.870 0.090 0.000 1.075 358 L CA 1.265 56.139 54.840 0.056 0.000 0.747 358 L CB -0.633 41.487 42.059 0.101 0.000 0.903 358 L HN 0.200 nan 8.230 nan 0.000 0.435 359 A N 0.073 122.968 122.820 0.125 0.000 1.898 359 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 359 A C 2.191 179.774 177.584 -0.002 0.000 1.181 359 A CA 1.397 53.499 52.037 0.108 0.000 0.620 359 A CB -0.658 18.420 19.000 0.130 0.000 0.819 359 A HN 0.325 nan 8.150 nan 0.000 0.442 360 L N 0.185 121.383 121.223 -0.042 0.000 2.079 360 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 360 L C 1.523 178.395 176.870 0.004 0.000 1.081 360 L CA 2.490 57.307 54.840 -0.037 0.000 0.752 360 L CB -0.661 41.376 42.059 -0.037 0.000 0.896 360 L HN 0.323 nan 8.230 nan 0.000 0.433 361 D N -0.277 120.128 120.400 0.009 0.000 2.178 361 D HA -0.123 4.516 4.640 -0.000 0.000 0.201 361 D C 2.134 178.444 176.300 0.017 0.000 0.980 361 D CA 1.428 55.432 54.000 0.007 0.000 0.842 361 D CB -0.026 40.779 40.800 0.009 0.000 0.948 361 D HN 0.538 nan 8.370 nan 0.000 0.472 362 A N 0.120 122.966 122.820 0.044 0.000 1.970 362 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 362 A C 2.059 179.689 177.584 0.077 0.000 1.170 362 A CA 0.752 52.830 52.037 0.068 0.000 0.645 362 A CB -0.125 18.940 19.000 0.108 0.000 0.816 362 A HN 0.064 nan 8.150 nan 0.000 0.447 363 M N -1.083 118.564 119.600 0.079 0.000 2.447 363 M HA 0.092 4.572 4.480 -0.000 0.000 0.264 363 M C 2.068 178.387 176.300 0.031 0.000 1.095 363 M CA 0.921 56.287 55.300 0.109 0.000 1.125 363 M CB -0.892 31.798 32.600 0.149 0.000 1.389 363 M HN 0.558 nan 8.290 nan 0.000 0.459 364 R N 0.540 121.019 120.500 -0.035 0.000 2.073 364 R HA -0.164 4.176 4.340 -0.000 0.000 0.229 364 R C 1.713 177.907 176.300 -0.177 0.000 1.120 364 R CA 1.856 57.818 56.100 -0.231 0.000 0.967 364 R CB -0.083 30.121 30.300 -0.161 0.000 0.862 364 R HN 0.220 nan 8.270 nan 0.000 0.436 365 D N 0.044 120.401 120.400 -0.072 0.000 2.117 365 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 365 D C 1.854 178.139 176.300 -0.026 0.000 0.987 365 D CA 0.963 54.939 54.000 -0.041 0.000 0.829 365 D CB -0.016 40.780 40.800 -0.006 0.000 0.961 365 D HN 0.158 nan 8.370 nan 0.000 0.460 366 L N 0.850 122.074 121.223 0.001 0.000 1.971 366 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 366 L C 2.242 179.097 176.870 -0.025 0.000 1.072 366 L CA 2.547 57.402 54.840 0.024 0.000 0.758 366 L CB -1.304 40.793 42.059 0.063 0.000 0.889 366 L HN 0.109 nan 8.230 nan 0.000 0.433 367 A N -1.362 121.407 122.820 -0.085 0.000 1.917 367 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 367 A C 2.195 179.713 177.584 -0.110 0.000 1.182 367 A CA 2.069 54.029 52.037 -0.128 0.000 0.633 367 A CB -0.698 18.141 19.000 -0.268 0.000 0.819 367 A HN 0.706 nan 8.150 nan 0.000 0.448 368 Q N -1.110 118.619 119.800 -0.119 0.000 2.124 368 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 368 Q C 2.306 178.295 176.000 -0.019 0.000 0.977 368 Q CA 1.755 57.517 55.803 -0.069 0.000 0.850 368 Q CB -0.514 28.185 28.738 -0.065 0.000 0.901 368 Q HN 0.787 nan 8.270 nan 0.000 0.429 369 C N -0.573 118.726 119.300 -0.001 0.000 2.436 369 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 369 C C 2.628 177.641 174.990 0.038 0.000 1.241 369 C CA 0.501 59.537 59.018 0.031 0.000 1.721 369 C CB -0.889 26.880 27.740 0.048 0.000 2.043 369 C HN 0.354 nan 8.230 nan 0.000 0.472 370 V N 2.147 122.080 119.914 0.032 0.000 2.332 370 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 370 V C 2.204 178.314 176.094 0.027 0.000 1.055 370 V CA 2.180 64.505 62.300 0.042 0.000 1.038 370 V CB -0.747 31.092 31.823 0.027 0.000 0.651 370 V HN 0.540 nan 8.190 nan 0.000 0.450 371 N N -0.156 118.545 118.700 0.003 0.000 2.149 371 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 371 N C 1.835 177.355 175.510 0.018 0.000 1.019 371 N CA 1.150 54.201 53.050 0.002 0.000 0.857 371 N CB -0.311 38.167 38.487 -0.015 0.000 0.997 371 N HN 0.455 nan 8.380 nan 0.000 0.426 372 E N 0.686 120.902 120.200 0.027 0.000 2.077 372 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 372 E C 2.172 178.806 176.600 0.056 0.000 0.989 372 E CA 0.374 56.801 56.400 0.045 0.000 0.800 372 E CB -0.468 29.265 29.700 0.054 0.000 0.746 372 E HN 0.108 nan 8.360 nan 0.000 0.452 373 V N 1.473 121.421 119.914 0.057 0.000 2.407 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 373 V C 2.222 178.341 176.094 0.041 0.000 1.055 373 V CA 1.784 64.119 62.300 0.059 0.000 1.049 373 V CB -0.360 31.506 31.823 0.071 0.000 0.662 373 V HN 0.240 nan 8.190 nan 0.000 0.455 374 K N -0.207 120.213 120.400 0.033 0.000 2.026 374 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 374 K C 2.397 179.001 176.600 0.007 0.000 1.048 374 K CA 1.451 57.748 56.287 0.017 0.000 0.929 374 K CB -0.261 32.245 32.500 0.011 0.000 0.713 374 K HN 0.392 nan 8.250 nan 0.000 0.439 375 R N 0.933 121.442 120.500 0.016 0.000 2.083 375 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 375 R C 1.894 178.205 176.300 0.018 0.000 1.137 375 R CA 1.757 57.865 56.100 0.015 0.000 0.951 375 R CB -0.280 30.036 30.300 0.027 0.000 0.851 375 R HN 0.221 nan 8.270 nan 0.000 0.434 376 D N 0.040 120.468 120.400 0.047 0.000 2.144 376 D HA -0.120 4.519 4.640 -0.000 0.000 0.199 376 D C 1.415 177.685 176.300 -0.050 0.000 0.984 376 D CA 0.957 54.992 54.000 0.059 0.000 0.834 376 D CB -0.502 40.391 40.800 0.155 0.000 0.955 376 D HN 0.306 nan 8.370 nan 0.000 0.465 377 N N 0.376 119.054 118.700 -0.037 0.000 2.037 377 N HA -0.236 4.503 4.740 -0.000 0.000 0.196 377 N C 1.708 177.162 175.510 -0.095 0.000 1.034 377 N CA 1.291 54.300 53.050 -0.068 0.000 0.861 377 N CB -0.030 38.435 38.487 -0.036 0.000 1.039 377 N HN 0.086 nan 8.380 nan 0.000 0.427 378 E N 0.670 120.827 120.200 -0.071 0.000 2.051 378 E HA -0.118 4.231 4.350 -0.000 0.000 0.192 378 E C 1.807 178.335 176.600 -0.120 0.000 0.991 378 E CA 1.580 57.930 56.400 -0.083 0.000 0.799 378 E CB -0.445 29.221 29.700 -0.058 0.000 0.748 378 E HN 0.178 nan 8.360 nan 0.000 0.449 379 T N 1.038 115.527 114.554 -0.108 0.000 2.653 379 T HA -0.194 4.155 4.350 -0.000 0.000 0.268 379 T C 1.808 176.355 174.700 -0.254 0.000 1.035 379 T CA 1.641 63.658 62.100 -0.138 0.000 1.154 379 T CB -0.371 68.466 68.868 -0.051 0.000 0.862 379 T HN 0.148 nan 8.240 nan 0.000 0.441 380 L N 0.036 121.071 121.223 -0.313 0.000 2.191 380 L HA -0.053 4.286 4.340 -0.000 0.000 0.212 380 L C 2.848 179.555 176.870 -0.271 0.000 1.103 380 L CA 1.165 55.781 54.840 -0.374 0.000 0.769 380 L CB -0.396 41.434 42.059 -0.381 0.000 0.908 380 L HN 0.174 nan 8.230 nan 0.000 0.438 381 R N -0.361 120.010 120.500 -0.214 0.000 2.066 381 R HA -0.143 4.196 4.340 -0.000 0.000 0.232 381 R C 2.328 178.483 176.300 -0.241 0.000 1.131 381 R CA 1.276 57.268 56.100 -0.180 0.000 0.955 381 R CB -0.255 29.970 30.300 -0.125 0.000 0.851 381 R HN 0.463 nan 8.270 nan 0.000 0.432 382 Q N 0.355 119.971 119.800 -0.306 0.000 2.096 382 Q HA -0.159 4.180 4.340 -0.000 0.000 0.204 382 Q C 2.146 177.656 176.000 -0.817 0.000 0.982 382 Q CA 1.345 56.831 55.803 -0.529 0.000 0.850 382 Q CB -0.132 28.307 28.738 -0.498 0.000 0.901 382 Q HN 0.403 nan 8.270 nan 0.000 0.422 383 I N 0.320 120.568 120.570 -0.538 0.000 2.252 383 I HA -0.226 3.943 4.170 -0.000 0.000 0.245 383 I C 2.065 178.005 176.117 -0.296 0.000 1.102 383 I CA 1.120 62.174 61.300 -0.410 0.000 1.385 383 I CB -0.322 37.530 38.000 -0.247 0.000 1.064 383 I HN 0.223 nan 8.210 nan 0.000 0.414 384 T N 0.533 114.938 114.554 -0.249 0.000 2.833 384 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 384 T C 1.747 176.369 174.700 -0.130 0.000 1.054 384 T CA 1.279 63.286 62.100 -0.156 0.000 1.135 384 T CB -0.297 68.493 68.868 -0.130 0.000 0.869 384 T HN 0.249 nan 8.240 nan 0.000 0.466 385 N N 0.612 119.194 118.700 -0.196 0.000 2.106 385 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 385 N C 1.481 176.962 175.510 -0.048 0.000 1.029 385 N CA 1.041 54.047 53.050 -0.075 0.000 0.848 385 N CB -0.379 38.064 38.487 -0.073 0.000 1.007 385 N HN 0.233 nan 8.380 nan 0.000 0.423 386 F N 1.333 121.033 119.950 -0.416 0.000 2.171 386 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 386 F C 2.583 178.126 175.800 -0.430 0.000 1.090 386 F CA 0.660 58.226 58.000 -0.724 0.000 1.293 386 F CB -1.158 37.330 39.000 -0.854 0.000 1.013 386 F HN 0.191 nan 8.300 nan 0.000 0.486 387 Q N 0.258 120.012 119.800 -0.077 0.000 2.124 387 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 387 Q C 2.038 178.034 176.000 -0.007 0.000 0.977 387 Q CA 1.173 56.945 55.803 -0.051 0.000 0.850 387 Q CB -0.160 28.556 28.738 -0.036 0.000 0.901 387 Q HN 0.415 nan 8.270 nan 0.000 0.429 388 L N -0.373 120.862 121.223 0.020 0.000 2.465 388 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 388 L C 1.419 178.356 176.870 0.112 0.000 1.145 388 L CA 0.537 55.413 54.840 0.060 0.000 0.834 388 L CB 0.089 42.187 42.059 0.065 0.000 0.944 388 L HN 0.098 nan 8.230 nan 0.000 0.451 389 S N -0.671 115.117 115.700 0.147 0.000 2.539 389 S HA 0.345 4.815 4.470 -0.000 0.000 0.221 389 S C 0.642 175.384 174.600 0.236 0.000 0.987 389 S CA -0.197 58.163 58.200 0.267 0.000 0.929 389 S CB 0.478 64.002 63.200 0.539 0.000 0.832 389 S HN 0.139 nan 8.310 nan 0.000 0.492 390 I N 2.841 123.461 120.570 0.084 0.000 2.354 390 I HA 0.290 4.459 4.170 -0.000 0.000 0.286 390 I C -0.281 175.882 176.117 0.077 0.000 1.007 390 I CA -0.340 60.999 61.300 0.065 0.000 1.167 390 I CB 1.301 39.242 38.000 -0.097 0.000 1.320 390 I HN 0.056 nan 8.210 nan 0.000 0.458 391 E N 4.610 124.874 120.200 0.107 0.000 2.283 391 E HA 0.205 4.555 4.350 -0.000 0.000 0.271 391 E C 0.229 176.876 176.600 0.078 0.000 1.031 391 E CA -0.472 55.977 56.400 0.082 0.000 0.868 391 E CB 0.634 30.382 29.700 0.079 0.000 1.094 391 E HN 0.543 nan 8.360 nan 0.000 0.401 392 N N 1.209 119.946 118.700 0.062 0.000 2.780 392 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 392 N C -1.629 173.918 175.510 0.063 0.000 1.102 392 N CA 0.379 53.464 53.050 0.058 0.000 0.697 392 N CB -0.971 37.554 38.487 0.064 0.000 1.028 392 N HN 0.495 nan 8.380 nan 0.000 0.554 393 L N 0.908 122.166 121.223 0.058 0.000 2.316 393 L HA 0.381 4.720 4.340 -0.000 0.000 0.280 393 L C 0.476 177.374 176.870 0.048 0.000 1.006 393 L CA -0.416 54.461 54.840 0.062 0.000 0.836 393 L CB 0.850 42.947 42.059 0.062 0.000 1.221 393 L HN 0.238 nan 8.230 nan 0.000 0.418 394 D N 2.334 122.753 120.400 0.032 0.000 2.369 394 D HA 0.015 4.655 4.640 -0.000 0.000 0.211 394 D C 0.205 176.529 176.300 0.039 0.000 1.077 394 D CA 0.047 54.061 54.000 0.024 0.000 0.842 394 D CB 0.573 41.375 40.800 0.003 0.000 0.947 394 D HN 0.441 nan 8.370 nan 0.000 0.509 395 Q N -0.082 119.760 119.800 0.071 0.000 2.399 395 Q HA 0.419 4.759 4.340 -0.000 0.000 0.276 395 Q C -0.966 175.164 176.000 0.216 0.000 1.098 395 Q CA -0.840 55.052 55.803 0.148 0.000 0.827 395 Q CB 2.136 30.990 28.738 0.194 0.000 1.386 395 Q HN -0.000 nan 8.270 nan 0.000 0.443 396 S N 2.262 118.117 115.700 0.259 0.000 2.510 396 S HA 0.138 4.608 4.470 -0.000 0.000 0.279 396 S C 1.133 175.917 174.600 0.306 0.000 1.284 396 S CA -0.279 58.041 58.200 0.200 0.000 1.059 396 S CB 0.162 63.412 63.200 0.084 0.000 0.901 396 S HN 0.718 nan 8.310 nan 0.000 0.491 397 L N 4.560 125.924 121.223 0.235 0.000 2.191 397 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 397 L C 2.780 179.846 176.870 0.327 0.000 1.103 397 L CA 1.425 56.457 54.840 0.321 0.000 0.769 397 L CB -0.992 41.155 42.059 0.146 0.000 0.908 397 L HN 0.875 nan 8.230 nan 0.000 0.438 398 A N -0.301 122.603 122.820 0.139 0.000 1.948 398 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 398 A C 1.869 179.625 177.584 0.288 0.000 1.177 398 A CA 1.767 53.898 52.037 0.157 0.000 0.636 398 A CB -0.961 17.991 19.000 -0.079 0.000 0.815 398 A HN 0.499 nan 8.150 nan 0.000 0.449 399 H N -2.853 116.307 119.070 0.151 0.000 2.518 399 H HA -0.149 4.407 4.556 -0.000 0.000 0.292 399 H C 0.468 175.674 175.328 -0.202 0.000 1.068 399 H CA 1.553 57.556 56.048 -0.075 0.000 1.275 399 H CB -0.174 29.369 29.762 -0.366 0.000 1.375 399 H HN 0.702 nan 8.280 nan 0.000 0.563 400 Y N -0.011 120.475 120.300 0.311 0.000 2.625 400 Y HA 0.276 4.826 4.550 -0.001 0.000 0.285 400 Y C 1.413 177.317 175.900 0.006 0.000 1.168 400 Y CA 0.042 58.243 58.100 0.169 0.000 1.250 400 Y CB 0.367 38.952 38.460 0.208 0.000 1.130 400 Y HN 0.315 nan 8.280 nan 0.000 0.526 401 G N 1.701 110.511 108.800 0.017 0.000 2.584 401 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.229 401 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.229 401 G C -0.492 174.516 174.900 0.179 0.000 1.320 401 G CA -0.523 44.413 45.100 -0.273 0.000 0.891 401 G HN 0.439 nan 8.290 nan 0.000 0.573 402 R N -0.276 120.283 120.500 0.098 0.000 2.604 402 R HA 0.645 4.985 4.340 -0.000 0.000 0.287 402 R C -2.896 173.475 176.300 0.118 0.000 0.970 402 R CA -1.814 54.428 56.100 0.236 0.000 0.946 402 R CB 1.401 31.875 30.300 0.290 0.000 1.127 402 R HN 0.344 nan 8.270 nan 0.000 0.473 403 P HA -0.059 nan 4.420 nan 0.000 0.264 403 P C -0.308 177.014 177.300 0.037 0.000 1.183 403 P CA 0.037 63.213 63.100 0.127 0.000 0.763 403 P CB 0.554 32.388 31.700 0.223 0.000 0.807 404 K N 2.743 123.118 120.400 -0.041 0.000 2.286 404 K HA 0.358 4.678 4.320 -0.000 0.000 0.203 404 K C 0.850 177.329 176.600 -0.202 0.000 1.078 404 K CA 0.464 56.674 56.287 -0.127 0.000 0.957 404 K CB 0.556 32.938 32.500 -0.198 0.000 1.018 404 K HN 0.438 nan 8.250 nan 0.000 0.484 405 I N 1.622 122.020 120.570 -0.286 0.000 2.800 405 I HA 0.119 4.289 4.170 -0.000 0.000 0.294 405 I C -2.401 173.448 176.117 -0.447 0.000 1.538 405 I CA -0.606 60.432 61.300 -0.436 0.000 1.010 405 I CB 2.282 39.785 38.000 -0.828 0.000 1.381 405 I HN 0.102 nan 8.210 nan 0.000 0.462 406 D N 5.369 125.585 120.400 -0.305 0.000 2.819 406 D HA 0.775 5.415 4.640 -0.000 0.000 0.232 406 D C -0.610 175.583 176.300 -0.177 0.000 1.160 406 D CA -0.405 53.426 54.000 -0.281 0.000 0.858 406 D CB 2.652 43.246 40.800 -0.344 0.000 1.610 406 D HN 0.919 nan 8.370 nan 0.000 0.481 407 G N 0.663 109.251 108.800 -0.355 0.000 2.341 407 G HA2 0.291 4.251 3.960 -0.000 0.000 0.299 407 G HA3 0.291 4.251 3.960 -0.000 0.000 0.299 407 G C -1.661 172.907 174.900 -0.553 0.000 1.274 407 G CA -0.865 44.072 45.100 -0.271 0.000 0.853 407 G HN 0.434 nan 8.290 nan 0.000 0.493 408 E N -0.049 120.119 120.200 -0.054 0.000 2.174 408 E HA 0.532 4.882 4.350 -0.000 0.000 0.282 408 E C -0.414 176.219 176.600 0.055 0.000 0.992 408 E CA -0.492 55.917 56.400 0.015 0.000 0.803 408 E CB 1.706 31.549 29.700 0.238 0.000 1.090 408 E HN 0.505 nan 8.360 nan 0.000 0.396 409 L N -0.237 120.908 121.223 -0.130 0.000 2.223 409 L HA 0.655 4.995 4.340 -0.000 0.000 0.243 409 L C -0.991 175.683 176.870 -0.327 0.000 1.105 409 L CA -1.122 53.569 54.840 -0.249 0.000 0.943 409 L CB 0.695 42.305 42.059 -0.748 0.000 1.542 409 L HN 0.162 nan 8.230 nan 0.000 0.437 410 K N 0.590 120.742 120.400 -0.414 0.000 2.426 410 K HA 0.784 5.103 4.320 -0.000 0.000 0.254 410 K C -1.406 175.073 176.600 -0.202 0.000 0.936 410 K CA -0.333 55.729 56.287 -0.374 0.000 0.801 410 K CB 2.082 34.250 32.500 -0.553 0.000 1.139 410 K HN 0.553 nan 8.250 nan 0.000 0.424 411 I N 1.425 121.906 120.570 -0.148 0.000 2.648 411 I HA 0.455 4.625 4.170 -0.000 0.000 0.304 411 I C 0.063 176.197 176.117 0.028 0.000 1.009 411 I CA -0.928 60.352 61.300 -0.033 0.000 1.114 411 I CB 2.184 40.159 38.000 -0.040 0.000 1.293 411 I HN 0.608 nan 8.210 nan 0.000 0.449 412 T N 0.012 114.637 114.554 0.118 0.000 2.900 412 T HA 0.640 4.990 4.350 -0.000 0.000 0.295 412 T C -0.216 174.557 174.700 0.122 0.000 1.044 412 T CA -0.726 61.428 62.100 0.091 0.000 0.995 412 T CB 1.865 70.780 68.868 0.078 0.000 1.072 412 T HN 0.685 nan 8.240 nan 0.000 0.473 413 S N 0.897 116.640 115.700 0.072 0.000 2.638 413 S HA 0.538 5.008 4.470 -0.000 0.000 0.256 413 S C 1.241 175.805 174.600 -0.059 0.000 1.089 413 S CA -0.062 58.116 58.200 -0.037 0.000 1.020 413 S CB 0.021 63.172 63.200 -0.082 0.000 1.252 413 S HN 1.444 nan 8.310 nan 0.000 0.542 414 V N -0.553 119.299 119.914 -0.103 0.000 3.249 414 V HA 0.435 4.555 4.120 -0.000 0.000 0.338 414 V C 0.696 176.768 176.094 -0.037 0.000 1.363 414 V CA 0.492 62.755 62.300 -0.061 0.000 1.205 414 V CB -1.415 30.365 31.823 -0.072 0.000 1.164 414 V HN 0.949 nan 8.190 nan 0.000 0.458 415 E N -0.551 119.634 120.200 -0.026 0.000 2.665 415 E HA 0.309 4.659 4.350 -0.000 0.000 0.225 415 E C 0.190 176.787 176.600 -0.006 0.000 0.922 415 E CA -0.608 55.785 56.400 -0.012 0.000 1.242 415 E CB 0.753 30.451 29.700 -0.004 0.000 1.197 415 E HN 0.496 nan 8.360 nan 0.000 0.581 416 R N 0.166 120.663 120.500 -0.005 0.000 2.855 416 R HA 0.531 4.871 4.340 -0.000 0.000 0.266 416 R C 0.328 176.620 176.300 -0.013 0.000 1.034 416 R CA -0.746 55.349 56.100 -0.009 0.000 0.944 416 R CB 1.647 31.945 30.300 -0.004 0.000 1.219 416 R HN -0.091 nan 8.270 nan 0.000 0.474 417 R N -0.475 120.008 120.500 -0.029 0.000 2.769 417 R HA 0.097 4.437 4.340 -0.000 0.000 0.191 417 R C -0.006 176.249 176.300 -0.076 0.000 0.881 417 R CA 0.306 56.383 56.100 -0.037 0.000 1.133 417 R CB -0.130 30.151 30.300 -0.032 0.000 1.607 417 R HN 0.733 nan 8.270 nan 0.000 0.613 418 S N 2.777 118.427 115.700 -0.083 0.000 2.481 418 S HA 0.210 4.680 4.470 -0.000 0.000 0.282 418 S C 0.041 174.551 174.600 -0.151 0.000 1.243 418 S CA -0.360 57.769 58.200 -0.118 0.000 1.078 418 S CB 0.511 63.652 63.200 -0.097 0.000 0.916 418 S HN 0.004 nan 8.310 nan 0.000 0.495 419 K N 3.146 123.408 120.400 -0.231 0.000 2.401 419 K HA -0.083 4.237 4.320 -0.000 0.000 0.267 419 K C -0.029 176.428 176.600 -0.238 0.000 1.140 419 K CA 0.842 56.951 56.287 -0.297 0.000 1.199 419 K CB -0.213 32.012 32.500 -0.459 0.000 0.822 419 K HN 0.669 nan 8.250 nan 0.000 0.488 420 M N 3.523 123.014 119.600 -0.182 0.000 2.108 420 M HA 0.070 4.550 4.480 -0.000 0.000 0.354 420 M C -0.419 175.766 176.300 -0.191 0.000 1.229 420 M CA -0.518 54.693 55.300 -0.148 0.000 1.081 420 M CB 0.829 33.381 32.600 -0.080 0.000 1.606 420 M HN 0.376 nan 8.290 nan 0.000 0.467 421 D N 4.962 125.241 120.400 -0.201 0.000 2.383 421 D HA 0.305 4.945 4.640 -0.000 0.000 0.252 421 D C 0.066 176.298 176.300 -0.113 0.000 1.166 421 D CA 0.347 54.221 54.000 -0.210 0.000 0.879 421 D CB 0.818 41.499 40.800 -0.198 0.000 1.164 421 D HN 0.381 nan 8.370 nan 0.000 0.462 422 R N 1.523 121.961 120.500 -0.103 0.000 2.799 422 R HA 0.358 4.698 4.340 -0.000 0.000 0.270 422 R C -1.186 175.131 176.300 0.027 0.000 1.010 422 R CA -0.898 55.190 56.100 -0.021 0.000 0.916 422 R CB 1.379 31.651 30.300 -0.047 0.000 1.228 422 R HN 0.448 nan 8.270 nan 0.000 0.469 423 Y N 0.089 120.393 120.300 0.008 0.000 2.360 423 Y HA 0.608 5.158 4.550 -0.001 0.000 0.337 423 Y C -0.817 175.037 175.900 -0.077 0.000 1.039 423 Y CA -0.318 57.787 58.100 0.008 0.000 1.109 423 Y CB 1.832 40.381 38.460 0.149 0.000 1.201 423 Y HN 0.741 nan 8.280 nan 0.000 0.458 424 A N 5.693 128.247 122.820 -0.443 0.000 2.371 424 A HA 0.702 5.022 4.320 -0.000 0.000 0.311 424 A C -2.008 175.374 177.584 -0.338 0.000 1.068 424 A CA -0.547 51.374 52.037 -0.193 0.000 0.744 424 A CB 0.453 19.413 19.000 -0.065 0.000 1.239 424 A HN 0.652 nan 8.150 nan 0.000 0.435 425 F N 2.051 121.991 119.950 -0.016 0.000 2.388 425 F HA 0.496 5.023 4.527 -0.001 0.000 0.358 425 F C -0.051 175.683 175.800 -0.109 0.000 1.122 425 F CA -0.670 57.251 58.000 -0.131 0.000 1.056 425 F CB 1.792 40.615 39.000 -0.295 0.000 1.155 425 F HN 0.444 nan 8.300 nan 0.000 0.461 426 L N 5.429 126.658 121.223 0.010 0.000 2.275 426 L HA 0.690 5.030 4.340 -0.000 0.000 0.288 426 L C -1.254 175.562 176.870 -0.090 0.000 1.046 426 L CA -0.414 54.358 54.840 -0.113 0.000 0.805 426 L CB 0.613 42.477 42.059 -0.325 0.000 1.193 426 L HN 0.459 nan 8.230 nan 0.000 0.426 427 L N 3.479 124.656 121.223 -0.077 0.000 2.309 427 L HA 0.537 4.877 4.340 -0.000 0.000 0.261 427 L C 1.137 177.977 176.870 -0.050 0.000 1.021 427 L CA -0.506 54.321 54.840 -0.022 0.000 0.823 427 L CB 1.159 43.256 42.059 0.064 0.000 1.366 427 L HN 0.473 nan 8.230 nan 0.000 0.423 428 D N 0.101 120.468 120.400 -0.054 0.000 2.170 428 D HA -0.202 4.437 4.640 -0.000 0.000 0.193 428 D C 1.023 177.291 176.300 -0.053 0.000 1.004 428 D CA 1.848 55.793 54.000 -0.091 0.000 0.860 428 D CB 0.235 40.927 40.800 -0.180 0.000 0.931 428 D HN 0.458 nan 8.370 nan 0.000 0.448 429 K N -1.025 119.390 120.400 0.025 0.000 2.374 429 K HA 0.458 4.778 4.320 -0.000 0.000 0.202 429 K C -0.175 176.552 176.600 0.212 0.000 1.040 429 K CA -0.121 56.254 56.287 0.148 0.000 1.085 429 K CB 1.803 34.470 32.500 0.279 0.000 0.873 429 K HN -0.008 nan 8.250 nan 0.000 0.539 430 A N 1.113 123.952 122.820 0.031 0.000 2.577 430 A HA 0.460 4.780 4.320 -0.000 0.000 0.297 430 A C -2.216 175.202 177.584 -0.278 0.000 1.060 430 A CA -0.779 51.129 52.037 -0.216 0.000 0.697 430 A CB 1.173 19.817 19.000 -0.593 0.000 1.281 430 A HN 0.083 nan 8.150 nan 0.000 0.402 431 L N 2.595 123.620 121.223 -0.331 0.000 2.280 431 L HA 0.632 4.972 4.340 -0.000 0.000 0.287 431 L C -0.964 175.686 176.870 -0.367 0.000 1.023 431 L CA -0.362 54.338 54.840 -0.233 0.000 0.819 431 L CB 0.844 42.853 42.059 -0.083 0.000 1.212 431 L HN 0.583 nan 8.230 nan 0.000 0.420 432 L N 6.690 127.778 121.223 -0.224 0.000 2.259 432 L HA 0.383 4.723 4.340 -0.000 0.000 0.288 432 L C -0.325 176.555 176.870 0.016 0.000 1.051 432 L CA -0.537 54.223 54.840 -0.133 0.000 0.824 432 L CB 0.611 42.660 42.059 -0.018 0.000 1.206 432 L HN 0.438 nan 8.230 nan 0.000 0.429 433 I N 2.365 122.912 120.570 -0.040 0.000 2.441 433 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 433 I C 0.216 176.388 176.117 0.091 0.000 1.049 433 I CA 0.060 61.352 61.300 -0.012 0.000 1.381 433 I CB 1.042 38.983 38.000 -0.099 0.000 1.409 433 I HN 0.630 nan 8.210 nan 0.000 0.523 434 C N 4.833 124.223 119.300 0.150 0.000 3.171 434 C HA 0.452 4.912 4.460 -0.000 0.000 0.308 434 C C 0.102 175.213 174.990 0.202 0.000 1.334 434 C CA -1.044 58.109 59.018 0.224 0.000 1.473 434 C CB 2.790 30.765 27.740 0.393 0.000 1.866 434 C HN 0.748 nan 8.230 nan 0.000 0.465 435 K N 1.463 121.965 120.400 0.170 0.000 2.394 435 K HA 0.434 4.754 4.320 -0.000 0.000 0.260 435 K C -0.322 176.326 176.600 0.080 0.000 0.967 435 K CA -0.349 56.004 56.287 0.109 0.000 0.855 435 K CB 0.776 33.312 32.500 0.059 0.000 1.101 435 K HN 0.738 nan 8.250 nan 0.000 0.433 436 R N 3.587 124.110 120.500 0.039 0.000 2.347 436 R HA 0.106 4.446 4.340 -0.000 0.000 0.304 436 R C -0.437 175.761 176.300 -0.170 0.000 1.072 436 R CA -0.002 55.984 56.100 -0.190 0.000 0.980 436 R CB 0.605 30.752 30.300 -0.255 0.000 0.986 436 R HN 0.509 nan 8.270 nan 0.000 0.448 437 R N 3.974 124.342 120.500 -0.218 0.000 2.477 437 R HA 0.199 4.539 4.340 -0.000 0.000 0.285 437 R C 0.123 176.337 176.300 -0.144 0.000 1.415 437 R CA 0.570 56.594 56.100 -0.126 0.000 1.446 437 R CB 0.772 31.033 30.300 -0.066 0.000 1.110 437 R HN 1.094 nan 8.270 nan 0.000 0.590 438 G N 2.556 111.277 108.800 -0.133 0.000 2.595 438 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.297 438 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.297 438 G C 0.380 175.183 174.900 -0.160 0.000 1.181 438 G CA 0.499 45.545 45.100 -0.090 0.000 0.963 438 G HN 0.551 nan 8.290 nan 0.000 0.541 439 D N 1.432 121.760 120.400 -0.121 0.000 2.379 439 D HA 0.347 4.987 4.640 -0.000 0.000 0.208 439 D C 1.250 177.519 176.300 -0.051 0.000 1.065 439 D CA 1.070 55.015 54.000 -0.091 0.000 0.848 439 D CB 0.384 41.168 40.800 -0.026 0.000 0.949 439 D HN 0.672 nan 8.370 nan 0.000 0.509 440 S N -0.496 115.128 115.700 -0.127 0.000 2.537 440 S HA 0.589 5.058 4.470 -0.000 0.000 0.301 440 S C -0.717 173.775 174.600 -0.179 0.000 1.092 440 S CA -0.817 57.380 58.200 -0.004 0.000 1.048 440 S CB 1.283 64.509 63.200 0.043 0.000 1.053 440 S HN -0.004 nan 8.310 nan 0.000 0.501 441 Y N 0.074 120.430 120.300 0.094 0.000 2.331 441 Y HA 0.393 4.943 4.550 -0.001 0.000 0.334 441 Y C -0.429 175.528 175.900 0.096 0.000 0.960 441 Y CA -0.954 57.210 58.100 0.106 0.000 1.130 441 Y CB 1.444 40.015 38.460 0.186 0.000 1.164 441 Y HN 0.581 nan 8.280 nan 0.000 0.458 442 D N 3.543 124.059 120.400 0.193 0.000 2.280 442 D HA 0.129 4.769 4.640 -0.000 0.000 0.243 442 D C -0.603 175.794 176.300 0.161 0.000 1.129 442 D CA -0.475 53.611 54.000 0.143 0.000 0.848 442 D CB 1.984 42.837 40.800 0.089 0.000 1.107 442 D HN 0.372 nan 8.370 nan 0.000 0.471 443 L N 3.720 125.030 121.223 0.145 0.000 2.536 443 L HA 0.058 4.397 4.340 -0.000 0.000 0.282 443 L C 1.103 178.045 176.870 0.121 0.000 1.147 443 L CA 0.313 55.239 54.840 0.144 0.000 0.936 443 L CB 0.065 42.205 42.059 0.135 0.000 1.279 443 L HN 0.152 nan 8.230 nan 0.000 0.461 444 K N 2.213 122.682 120.400 0.115 0.000 2.314 444 K HA 0.137 4.457 4.320 -0.000 0.000 0.198 444 K C -0.231 176.431 176.600 0.104 0.000 1.045 444 K CA 0.389 56.734 56.287 0.096 0.000 0.988 444 K CB 0.293 32.841 32.500 0.081 0.000 0.783 444 K HN 0.617 nan 8.250 nan 0.000 0.484 445 D N -0.543 119.921 120.400 0.106 0.000 2.362 445 D HA 0.084 4.724 4.640 -0.000 0.000 0.228 445 D C -1.671 174.690 176.300 0.100 0.000 1.326 445 D CA -0.382 53.689 54.000 0.119 0.000 0.927 445 D CB -0.036 40.831 40.800 0.111 0.000 1.501 445 D HN -0.118 nan 8.370 nan 0.000 0.519 446 F N 2.712 122.665 119.950 0.004 0.000 2.538 446 F HA 0.409 4.936 4.527 -0.000 0.000 0.371 446 F C -0.387 175.397 175.800 -0.025 0.000 1.087 446 F CA 0.256 58.234 58.000 -0.037 0.000 1.250 446 F CB 0.654 39.623 39.000 -0.052 0.000 1.110 446 F HN 0.042 nan 8.300 nan 0.000 0.570 447 V N 6.769 126.530 119.914 -0.254 0.000 2.349 447 V HA 0.145 4.265 4.120 -0.000 0.000 0.284 447 V C -0.253 175.793 176.094 -0.081 0.000 1.014 447 V CA -1.077 61.154 62.300 -0.116 0.000 0.826 447 V CB 1.202 32.796 31.823 -0.381 0.000 1.009 447 V HN 0.683 nan 8.190 nan 0.000 0.431 448 N N 4.461 123.349 118.700 0.313 0.000 2.402 448 N HA 0.195 4.934 4.740 -0.000 0.000 0.259 448 N C 0.892 176.671 175.510 0.449 0.000 1.167 448 N CA -0.019 53.294 53.050 0.438 0.000 0.949 448 N CB 1.181 39.962 38.487 0.489 0.000 1.212 448 N HN 0.651 nan 8.380 nan 0.000 0.493 449 L N 2.706 124.140 121.223 0.352 0.000 2.633 449 L HA -0.101 4.238 4.340 -0.000 0.000 0.235 449 L C 1.325 178.481 176.870 0.477 0.000 1.163 449 L CA 0.286 55.356 54.840 0.383 0.000 0.859 449 L CB -0.347 41.853 42.059 0.235 0.000 0.973 449 L HN 0.561 nan 8.230 nan 0.000 0.451 450 H N -0.890 118.386 119.070 0.344 0.000 2.426 450 H HA -0.140 4.416 4.556 -0.000 0.000 0.298 450 H C 2.177 177.764 175.328 0.432 0.000 1.107 450 H CA 1.668 57.919 56.048 0.338 0.000 1.298 450 H CB 0.060 29.981 29.762 0.266 0.000 1.377 450 H HN 0.241 nan 8.280 nan 0.000 0.519 451 S N -0.706 115.315 115.700 0.536 0.000 2.540 451 S HA 0.191 4.660 4.470 -0.000 0.000 0.218 451 S C -0.053 174.581 174.600 0.057 0.000 0.977 451 S CA -0.212 58.144 58.200 0.260 0.000 0.918 451 S CB 0.442 63.717 63.200 0.125 0.000 0.806 451 S HN 0.075 nan 8.310 nan 0.000 0.496 452 F N 1.680 121.767 119.950 0.228 0.000 2.541 452 F HA 0.606 5.133 4.527 -0.000 0.000 0.331 452 F C 0.419 176.318 175.800 0.166 0.000 1.057 452 F CA -0.933 57.179 58.000 0.187 0.000 0.975 452 F CB 1.209 40.334 39.000 0.207 0.000 1.246 452 F HN -0.130 nan 8.300 nan 0.000 0.484 453 Q N 0.349 120.329 119.800 0.301 0.000 2.418 453 Q HA 0.529 4.869 4.340 -0.000 0.000 0.282 453 Q C -1.690 174.397 176.000 0.144 0.000 1.044 453 Q CA -1.068 54.846 55.803 0.185 0.000 0.813 453 Q CB 3.236 32.032 28.738 0.098 0.000 1.428 453 Q HN 0.332 nan 8.270 nan 0.000 0.402 454 V N 1.783 121.745 119.914 0.080 0.000 2.439 454 V HA 0.469 4.589 4.120 -0.000 0.000 0.282 454 V C -0.394 175.707 176.094 0.012 0.000 1.039 454 V CA -0.212 62.093 62.300 0.007 0.000 0.913 454 V CB 1.337 33.089 31.823 -0.118 0.000 0.983 454 V HN 0.578 nan 8.190 nan 0.000 0.460 455 R N 3.392 123.918 120.500 0.044 0.000 2.500 455 R HA 0.342 4.682 4.340 -0.000 0.000 0.299 455 R C -0.927 175.420 176.300 0.078 0.000 1.038 455 R CA -0.589 55.540 56.100 0.047 0.000 0.903 455 R CB 1.255 31.586 30.300 0.053 0.000 1.177 455 R HN 0.753 nan 8.270 nan 0.000 0.455 456 D N 1.623 122.057 120.400 0.056 0.000 2.371 456 D HA 0.214 4.854 4.640 -0.000 0.000 0.242 456 D C -0.598 175.752 176.300 0.083 0.000 1.218 456 D CA 0.774 54.831 54.000 0.095 0.000 0.945 456 D CB 1.028 41.863 40.800 0.059 0.000 1.137 456 D HN 0.625 nan 8.370 nan 0.000 0.464 464 N N 1.965 120.706 118.700 0.069 0.000 2.605 464 N HA 0.087 4.827 4.740 -0.000 0.000 0.282 464 N C -0.574 174.975 175.510 0.065 0.000 1.206 464 N CA 0.227 53.356 53.050 0.131 0.000 1.074 464 N CB 0.277 38.861 38.487 0.161 0.000 1.434 464 N HN 0.221 nan 8.380 nan 0.000 0.506 465 K N 1.265 121.646 120.400 -0.033 0.000 2.234 465 K HA 0.117 4.436 4.320 -0.000 0.000 0.277 465 K C 0.293 176.888 176.600 -0.009 0.000 1.038 465 K CA -0.627 55.649 56.287 -0.019 0.000 0.888 465 K CB 1.612 34.095 32.500 -0.027 0.000 1.091 465 K HN 0.237 nan 8.250 nan 0.000 0.467 466 K N 2.770 123.208 120.400 0.063 0.000 2.437 466 K HA -0.177 4.143 4.320 -0.000 0.000 0.277 466 K C -0.642 176.040 176.600 0.137 0.000 1.073 466 K CA 0.912 57.232 56.287 0.054 0.000 1.105 466 K CB 0.076 32.580 32.500 0.007 0.000 0.881 466 K HN 0.726 nan 8.250 nan 0.000 0.475 467 W N 1.001 122.379 121.300 0.129 0.000 1.796 467 W HA -0.269 4.391 4.660 -0.000 0.000 0.266 467 W C 1.108 177.664 176.519 0.061 0.000 1.069 467 W CA 0.607 58.002 57.345 0.083 0.000 0.455 467 W CB -1.897 27.549 29.460 -0.022 0.000 2.095 467 W HN 0.753 nan 8.180 nan 0.000 1.161 468 S N -1.659 114.109 115.700 0.112 0.000 2.523 468 S HA 0.118 4.588 4.470 -0.000 0.000 0.217 468 S C 0.155 174.785 174.600 0.051 0.000 0.996 468 S CA 0.182 58.429 58.200 0.078 0.000 0.921 468 S CB -0.232 62.909 63.200 -0.100 0.000 0.829 468 S HN 0.328 nan 8.310 nan 0.000 0.495 469 H N 2.990 122.211 119.070 0.251 0.000 3.157 469 H HA 0.542 5.098 4.556 -0.000 0.000 0.260 469 H C -0.020 175.391 175.328 0.138 0.000 1.232 469 H CA -0.045 56.113 56.048 0.183 0.000 1.488 469 H CB -0.267 29.597 29.762 0.170 0.000 1.548 469 H HN 0.557 nan 8.280 nan 0.000 0.487 470 M N 1.917 121.528 119.600 0.017 0.000 2.602 470 M HA 0.678 5.158 4.480 -0.000 0.000 0.312 470 M C -1.455 174.765 176.300 -0.132 0.000 1.181 470 M CA -1.062 54.028 55.300 -0.350 0.000 0.910 470 M CB 1.842 33.730 32.600 -1.187 0.000 1.723 470 M HN 0.235 nan 8.290 nan 0.000 0.459 471 F N 0.012 119.914 119.950 -0.081 0.000 2.620 471 F HA 0.901 5.428 4.527 -0.001 0.000 0.320 471 F C -1.966 173.765 175.800 -0.114 0.000 1.069 471 F CA -1.556 56.405 58.000 -0.066 0.000 0.953 471 F CB 0.981 39.976 39.000 -0.009 0.000 1.322 471 F HN 0.622 nan 8.300 nan 0.000 0.479 472 L N 2.406 123.766 121.223 0.228 0.000 2.309 472 L HA 0.561 4.901 4.340 -0.000 0.000 0.282 472 L C -1.016 175.966 176.870 0.186 0.000 1.036 472 L CA -0.943 53.969 54.840 0.119 0.000 0.806 472 L CB 1.651 43.753 42.059 0.072 0.000 1.220 472 L HN 0.603 nan 8.230 nan 0.000 0.429 473 L N 5.506 126.831 121.223 0.170 0.000 2.301 473 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 473 L C -0.436 176.674 176.870 0.400 0.000 1.022 473 L CA -0.119 54.863 54.840 0.237 0.000 0.854 473 L CB 0.879 43.020 42.059 0.137 0.000 1.226 473 L HN 0.443 nan 8.230 nan 0.000 0.429 474 I N 1.198 121.956 120.570 0.314 0.000 2.569 474 I HA 0.630 4.800 4.170 -0.000 0.000 0.296 474 I C -0.630 175.469 176.117 -0.030 0.000 1.028 474 I CA -0.707 60.692 61.300 0.165 0.000 1.082 474 I CB 2.163 40.202 38.000 0.065 0.000 1.264 474 I HN 0.634 nan 8.210 nan 0.000 0.429 475 E N 3.050 123.036 120.200 -0.357 0.000 2.227 475 E HA 0.208 4.558 4.350 -0.000 0.000 0.282 475 E C -0.942 175.529 176.600 -0.216 0.000 1.015 475 E CA -0.578 55.519 56.400 -0.507 0.000 0.823 475 E CB 1.727 30.942 29.700 -0.809 0.000 1.081 475 E HN 0.618 nan 8.360 nan 0.000 0.396 476 D N 2.307 122.624 120.400 -0.139 0.000 2.413 476 D HA -0.010 4.630 4.640 -0.000 0.000 0.237 476 D C -0.212 176.046 176.300 -0.070 0.000 1.171 476 D CA 0.356 54.309 54.000 -0.080 0.000 0.839 476 D CB 0.026 40.795 40.800 -0.052 0.000 0.950 476 D HN 0.549 nan 8.370 nan 0.000 0.499 477 Q N -0.590 119.157 119.800 -0.090 0.000 2.303 477 Q HA 0.386 4.725 4.340 -0.000 0.000 0.303 477 Q C -0.548 175.410 176.000 -0.071 0.000 0.831 477 Q CA -0.475 55.291 55.803 -0.061 0.000 1.066 477 Q CB 0.443 29.157 28.738 -0.039 0.000 1.354 477 Q HN 0.190 nan 8.270 nan 0.000 0.394 483 E N 3.299 123.543 120.200 0.073 0.000 2.191 483 E HA 0.756 5.105 4.350 -0.000 0.000 0.278 483 E C -1.512 174.917 176.600 -0.285 0.000 0.972 483 E CA -0.955 55.361 56.400 -0.140 0.000 0.804 483 E CB 2.194 31.778 29.700 -0.193 0.000 1.110 483 E HN 0.510 nan 8.360 nan 0.000 0.394 484 L N 3.267 124.138 121.223 -0.588 0.000 2.325 484 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 484 L C -0.948 175.317 176.870 -1.007 0.000 1.004 484 L CA -0.816 53.586 54.840 -0.730 0.000 0.823 484 L CB 0.536 42.140 42.059 -0.758 0.000 1.236 484 L HN 0.553 nan 8.230 nan 0.000 0.415 485 F N 2.462 121.965 119.950 -0.745 0.000 2.443 485 F HA 0.600 5.127 4.527 -0.001 0.000 0.335 485 F C -0.218 175.236 175.800 -0.578 0.000 1.104 485 F CA -0.403 57.332 58.000 -0.442 0.000 1.013 485 F CB 1.508 40.414 39.000 -0.156 0.000 1.136 485 F HN 0.150 nan 8.300 nan 0.000 0.470 486 F N 1.721 121.861 119.950 0.317 0.000 2.532 486 F HA 0.382 4.909 4.527 -0.001 0.000 0.321 486 F C 1.166 176.872 175.800 -0.157 0.000 1.089 486 F CA -1.129 56.950 58.000 0.131 0.000 0.926 486 F CB 1.870 40.852 39.000 -0.031 0.000 1.168 486 F HN 0.439 nan 8.300 nan 0.000 0.459 487 K N 0.151 120.058 120.400 -0.821 0.000 2.074 487 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 487 K C 0.508 176.834 176.600 -0.457 0.000 1.048 487 K CA 1.843 57.281 56.287 -1.416 0.000 0.926 487 K CB 0.002 31.748 32.500 -1.257 0.000 0.713 487 K HN 0.849 nan 8.250 nan 0.000 0.444 488 T N -4.097 110.292 114.554 -0.275 0.000 2.901 488 T HA 0.285 4.634 4.350 -0.000 0.000 0.293 488 T C 0.596 174.861 174.700 -0.725 0.000 1.084 488 T CA -0.969 60.880 62.100 -0.419 0.000 1.008 488 T CB 1.986 70.693 68.868 -0.268 0.000 1.170 488 T HN 0.112 nan 8.240 nan 0.000 0.509 489 R N 0.203 120.046 120.500 -1.095 0.000 2.091 489 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 489 R C 1.705 177.860 176.300 -0.242 0.000 1.136 489 R CA 2.264 57.973 56.100 -0.651 0.000 0.959 489 R CB -0.308 29.795 30.300 -0.329 0.000 0.856 489 R HN 0.796 nan 8.270 nan 0.000 0.437 490 E N 0.451 120.537 120.200 -0.191 0.000 2.106 490 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 490 E C 1.975 178.542 176.600 -0.055 0.000 0.984 490 E CA 0.914 57.257 56.400 -0.095 0.000 0.806 490 E CB -0.198 29.453 29.700 -0.082 0.000 0.750 490 E HN 0.304 nan 8.360 nan 0.000 0.458 491 L N 1.004 122.199 121.223 -0.047 0.000 1.989 491 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 491 L C 2.569 179.435 176.870 -0.007 0.000 1.071 491 L CA 1.750 56.628 54.840 0.063 0.000 0.749 491 L CB -0.479 41.661 42.059 0.134 0.000 0.890 491 L HN 0.159 nan 8.230 nan 0.000 0.431 492 K N 0.847 121.179 120.400 -0.113 0.000 2.074 492 K HA -0.286 4.033 4.320 -0.000 0.000 0.209 492 K C 2.219 178.824 176.600 0.009 0.000 1.048 492 K CA 2.000 58.157 56.287 -0.217 0.000 0.926 492 K CB -0.172 32.408 32.500 0.133 0.000 0.713 492 K HN 0.159 nan 8.250 nan 0.000 0.444 493 K N 1.101 121.507 120.400 0.011 0.000 2.097 493 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 493 K C 2.147 178.747 176.600 -0.001 0.000 1.049 493 K CA 1.576 57.870 56.287 0.011 0.000 0.933 493 K CB -0.065 32.430 32.500 -0.009 0.000 0.717 493 K HN 0.160 nan 8.250 nan 0.000 0.442 494 K N -0.477 119.920 120.400 -0.005 0.000 2.116 494 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 494 K C 1.685 178.241 176.600 -0.073 0.000 1.052 494 K CA 1.071 57.329 56.287 -0.049 0.000 0.952 494 K CB -0.146 32.315 32.500 -0.064 0.000 0.729 494 K HN 0.195 nan 8.250 nan 0.000 0.446 495 W N 1.002 122.219 121.300 -0.138 0.000 2.407 495 W HA 0.018 4.678 4.660 -0.000 0.000 0.305 495 W C 2.375 178.974 176.519 0.133 0.000 1.196 495 W CA 0.858 58.189 57.345 -0.023 0.000 1.311 495 W CB -0.305 29.049 29.460 -0.177 0.000 1.135 495 W HN 0.022 nan 8.180 nan 0.000 0.514 496 M N 0.417 120.142 119.600 0.209 0.000 2.108 496 M HA -0.274 4.205 4.480 -0.000 0.000 0.261 496 M C 2.202 178.452 176.300 -0.084 0.000 1.066 496 M CA 2.043 57.163 55.300 -0.300 0.000 1.107 496 M CB -0.415 31.834 32.600 -0.586 0.000 1.356 496 M HN 0.107 nan 8.290 nan 0.000 0.406 497 E N -0.545 119.630 120.200 -0.041 0.000 2.085 497 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 497 E C 1.912 178.489 176.600 -0.039 0.000 0.994 497 E CA 1.253 57.628 56.400 -0.041 0.000 0.801 497 E CB 0.078 29.750 29.700 -0.047 0.000 0.743 497 E HN 0.516 nan 8.360 nan 0.000 0.453 498 Q N -0.372 119.390 119.800 -0.064 0.000 2.119 498 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 498 Q C 2.014 177.941 176.000 -0.122 0.000 0.972 498 Q CA 1.058 56.776 55.803 -0.141 0.000 0.847 498 Q CB -0.379 28.185 28.738 -0.289 0.000 0.903 498 Q HN 0.384 nan 8.270 nan 0.000 0.433 499 F N 1.387 121.328 119.950 -0.015 0.000 2.171 499 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 499 F C 2.223 178.014 175.800 -0.014 0.000 1.090 499 F CA 1.179 59.186 58.000 0.011 0.000 1.293 499 F CB 0.095 39.100 39.000 0.009 0.000 1.013 499 F HN 0.169 nan 8.300 nan 0.000 0.486 500 E N -0.242 120.027 120.200 0.114 0.000 2.072 500 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 500 E C 2.140 178.768 176.600 0.046 0.000 0.985 500 E CA 1.417 57.854 56.400 0.063 0.000 0.801 500 E CB -0.222 29.485 29.700 0.013 0.000 0.750 500 E HN 0.404 nan 8.360 nan 0.000 0.452 501 M N 0.400 120.007 119.600 0.011 0.000 2.159 501 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 501 M C 2.363 178.665 176.300 0.003 0.000 1.063 501 M CA 1.391 56.691 55.300 0.000 0.000 1.110 501 M CB -0.107 32.478 32.600 -0.024 0.000 1.374 501 M HN 0.146 nan 8.290 nan 0.000 0.411 502 A N 0.697 123.511 122.820 -0.011 0.000 1.855 502 A HA -0.115 4.204 4.320 -0.000 0.000 0.215 502 A C 2.081 179.676 177.584 0.018 0.000 1.191 502 A CA 1.471 53.494 52.037 -0.024 0.000 0.613 502 A CB -0.875 18.092 19.000 -0.056 0.000 0.829 502 A HN 0.456 nan 8.150 nan 0.000 0.442 503 I N -0.763 119.859 120.570 0.087 0.000 2.315 503 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 503 I C 2.723 178.923 176.117 0.138 0.000 1.117 503 I CA 1.408 62.792 61.300 0.141 0.000 1.404 503 I CB -0.271 37.857 38.000 0.212 0.000 1.071 503 I HN 0.356 nan 8.210 nan 0.000 0.419 504 S N 0.921 116.682 115.700 0.103 0.000 2.402 504 S HA -0.133 4.336 4.470 -0.000 0.000 0.229 504 S C 1.825 176.485 174.600 0.099 0.000 1.021 504 S CA 1.350 59.610 58.200 0.100 0.000 0.974 504 S CB -0.250 62.987 63.200 0.063 0.000 0.800 504 S HN 0.411 nan 8.310 nan 0.000 0.484 505 N N 1.459 120.203 118.700 0.074 0.000 2.188 505 N HA 0.060 4.800 4.740 -0.000 0.000 0.184 505 N C 1.641 177.205 175.510 0.090 0.000 1.018 505 N CA 1.087 54.205 53.050 0.114 0.000 0.858 505 N CB -0.384 38.110 38.487 0.011 0.000 0.989 505 N HN 0.467 nan 8.380 nan 0.000 0.426 506 I N -0.805 119.714 120.570 -0.084 0.000 2.252 506 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 506 I C -0.057 175.850 176.117 -0.350 0.000 1.102 506 I CA 1.054 62.142 61.300 -0.354 0.000 1.385 506 I CB -0.018 37.591 38.000 -0.651 0.000 1.064 506 I HN 0.024 nan 8.210 nan 0.000 0.414 507 Y N 0.834 121.189 120.300 0.091 0.000 2.748 507 Y HA 0.393 4.942 4.550 -0.000 0.000 0.359 507 Y C -2.444 173.490 175.900 0.058 0.000 1.030 507 Y CA -3.090 55.062 58.100 0.088 0.000 1.169 507 Y CB -0.164 38.334 38.460 0.063 0.000 1.127 507 Y HN -0.025 nan 8.280 nan 0.000 0.644 508 P HA 0.123 nan 4.420 nan 0.000 0.276 508 P C -0.174 177.128 177.300 0.003 0.000 1.261 508 P CA -0.620 62.480 63.100 0.000 0.000 0.800 508 P CB 0.965 32.520 31.700 -0.242 0.000 1.066 509 E N 1.405 121.588 120.200 -0.028 0.000 2.414 509 E HA -0.033 4.317 4.350 -0.000 0.000 0.263 509 E C 0.180 176.759 176.600 -0.035 0.000 1.000 509 E CA 0.343 56.733 56.400 -0.017 0.000 0.914 509 E CB -0.312 29.374 29.700 -0.025 0.000 0.948 509 E HN 0.390 nan 8.360 nan 0.000 0.444 510 N N 0.920 119.630 118.700 0.015 0.000 2.850 510 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 510 N C 0.575 176.154 175.510 0.114 0.000 1.060 510 N CA 0.818 53.895 53.050 0.046 0.000 0.825 510 N CB -1.306 37.182 38.487 0.002 0.000 1.132 510 N HN 0.584 nan 8.380 nan 0.000 0.564 511 A N 0.003 122.898 122.820 0.125 0.000 1.972 511 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 511 A C 2.020 179.795 177.584 0.319 0.000 1.169 511 A CA 2.351 54.539 52.037 0.251 0.000 0.635 511 A CB -0.186 18.957 19.000 0.238 0.000 0.810 511 A HN 0.428 nan 8.150 nan 0.000 0.446 512 T N -1.174 113.509 114.554 0.214 0.000 3.174 512 T HA 0.562 4.912 4.350 -0.000 0.000 0.269 512 T C 0.413 175.201 174.700 0.147 0.000 1.017 512 T CA 0.484 62.683 62.100 0.166 0.000 0.899 512 T CB -0.818 68.124 68.868 0.122 0.000 1.077 512 T HN 0.522 nan 8.240 nan 0.000 0.552 513 A N 1.308 124.244 122.820 0.193 0.000 2.388 513 A HA 0.525 4.844 4.320 -0.000 0.000 0.257 513 A C 0.725 178.437 177.584 0.215 0.000 1.095 513 A CA -0.111 52.028 52.037 0.169 0.000 0.791 513 A CB -0.512 18.580 19.000 0.153 0.000 1.029 513 A HN 0.731 nan 8.150 nan 0.000 0.489 514 N N 0.230 118.999 118.700 0.115 0.000 2.735 514 N HA -0.205 4.534 4.740 -0.000 0.000 0.248 514 N C 0.853 176.298 175.510 -0.108 0.000 1.083 514 N CA 1.513 54.593 53.050 0.050 0.000 0.703 514 N CB -1.243 37.331 38.487 0.145 0.000 1.005 514 N HN 1.993 nan 8.380 nan 0.000 0.550 515 G N -1.745 107.010 108.800 -0.076 0.000 2.212 515 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.266 515 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.266 515 G C 0.175 174.950 174.900 -0.208 0.000 0.978 515 G CA 0.685 45.699 45.100 -0.142 0.000 0.632 515 G HN 0.671 nan 8.290 nan 0.000 0.537 516 H N 0.372 119.370 119.070 -0.119 0.000 2.730 516 H HA 0.407 4.962 4.556 -0.000 0.000 0.376 516 H C -0.401 174.773 175.328 -0.257 0.000 1.299 516 H CA 0.919 56.787 56.048 -0.301 0.000 1.447 516 H CB 1.087 30.555 29.762 -0.490 0.000 1.493 516 H HN 0.199 nan 8.280 nan 0.000 0.619 517 D N 1.432 121.678 120.400 -0.256 0.000 2.552 517 D HA 0.130 4.770 4.640 -0.000 0.000 0.285 517 D C -1.006 175.262 176.300 -0.055 0.000 1.206 517 D CA -0.438 53.496 54.000 -0.111 0.000 0.826 517 D CB -0.656 40.061 40.800 -0.139 0.000 1.179 517 D HN 0.129 nan 8.370 nan 0.000 0.508 518 F N 1.480 121.515 119.950 0.141 0.000 2.456 518 F HA 0.360 4.887 4.527 -0.000 0.000 0.358 518 F C 1.108 177.079 175.800 0.285 0.000 1.095 518 F CA 0.257 58.366 58.000 0.182 0.000 1.216 518 F CB 0.879 39.946 39.000 0.111 0.000 1.125 518 F HN 0.067 nan 8.300 nan 0.000 0.549 519 Q N 2.386 122.497 119.800 0.517 0.000 2.456 519 Q HA 0.470 4.810 4.340 -0.000 0.000 0.283 519 Q C -0.825 175.291 176.000 0.194 0.000 1.084 519 Q CA -1.222 54.800 55.803 0.365 0.000 0.801 519 Q CB 2.879 31.780 28.738 0.273 0.000 1.434 519 Q HN 0.520 nan 8.270 nan 0.000 0.419 520 M N 1.614 121.153 119.600 -0.102 0.000 2.250 520 M HA 0.173 4.652 4.480 -0.000 0.000 0.337 520 M C -0.776 175.608 176.300 0.141 0.000 1.161 520 M CA 1.025 56.125 55.300 -0.333 0.000 1.088 520 M CB 0.132 32.462 32.600 -0.451 0.000 1.639 520 M HN 0.509 nan 8.290 nan 0.000 0.447 521 F N 1.037 120.982 119.950 -0.009 0.000 2.622 521 F HA 0.342 4.869 4.527 -0.000 0.000 0.318 521 F C -0.880 174.644 175.800 -0.460 0.000 1.135 521 F CA -0.809 57.053 58.000 -0.230 0.000 1.015 521 F CB 1.385 40.122 39.000 -0.438 0.000 1.275 521 F HN 0.564 nan 8.300 nan 0.000 0.457 522 S N 4.984 120.012 115.700 -1.120 0.000 2.411 522 S HA 0.520 4.989 4.470 -0.000 0.000 0.294 522 S C -0.753 173.555 174.600 -0.487 0.000 1.115 522 S CA -0.493 57.248 58.200 -0.765 0.000 1.071 522 S CB -0.031 62.609 63.200 -0.933 0.000 0.967 522 S HN 0.421 nan 8.310 nan 0.000 0.488 523 F N 1.951 121.940 119.950 0.065 0.000 2.443 523 F HA 0.247 4.774 4.527 -0.001 0.000 0.353 523 F C 1.727 177.568 175.800 0.068 0.000 1.101 523 F CA -0.342 57.797 58.000 0.231 0.000 1.226 523 F CB 0.682 39.794 39.000 0.185 0.000 1.140 523 F HN 0.644 nan 8.300 nan 0.000 0.557 524 E N 1.067 121.406 120.200 0.232 0.000 2.140 524 E HA -0.023 4.326 4.350 -0.000 0.000 0.191 524 E C -0.112 176.565 176.600 0.127 0.000 0.973 524 E CA 0.624 57.094 56.400 0.117 0.000 0.829 524 E CB 0.209 29.952 29.700 0.072 0.000 0.781 524 E HN 0.647 nan 8.360 nan 0.000 0.466 525 E N 0.676 120.976 120.200 0.167 0.000 2.212 525 E HA 0.207 4.556 4.350 -0.000 0.000 0.270 525 E C -0.857 175.802 176.600 0.098 0.000 0.956 525 E CA -0.431 56.037 56.400 0.114 0.000 0.825 525 E CB 1.585 31.344 29.700 0.098 0.000 1.167 525 E HN -0.195 nan 8.360 nan 0.000 0.400 526 T N 2.277 116.865 114.554 0.055 0.000 2.849 526 T HA 0.041 4.391 4.350 -0.000 0.000 0.289 526 T C -0.442 174.243 174.700 -0.025 0.000 1.010 526 T CA 0.621 62.732 62.100 0.019 0.000 1.161 526 T CB -0.029 68.852 68.868 0.021 0.000 0.989 526 T HN 0.327 nan 8.240 nan 0.000 0.523 527 T N 3.075 117.567 114.554 -0.104 0.000 2.893 527 T HA 0.605 4.955 4.350 -0.000 0.000 0.293 527 T C -0.152 174.417 174.700 -0.218 0.000 1.027 527 T CA -0.974 60.996 62.100 -0.217 0.000 0.988 527 T CB 1.680 70.228 68.868 -0.533 0.000 1.043 527 T HN 0.616 nan 8.240 nan 0.000 0.461 528 S N 0.246 115.842 115.700 -0.174 0.000 2.664 528 S HA 0.645 5.114 4.470 -0.000 0.000 0.304 528 S C 0.034 174.549 174.600 -0.142 0.000 1.099 528 S CA -0.920 57.207 58.200 -0.123 0.000 1.003 528 S CB 1.180 64.348 63.200 -0.054 0.000 1.092 528 S HN 0.938 nan 8.310 nan 0.000 0.525 529 C N 2.387 121.640 119.300 -0.080 0.000 2.463 529 C HA 0.496 4.956 4.460 -0.000 0.000 0.380 529 C C 1.288 176.268 174.990 -0.017 0.000 1.264 529 C CA -0.580 58.404 59.018 -0.056 0.000 2.161 529 C CB -0.195 27.575 27.740 0.050 0.000 2.515 529 C HN 0.944 nan 8.230 nan 0.000 0.565 530 K N 3.944 124.340 120.400 -0.006 0.000 2.522 530 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 530 K C 1.027 177.639 176.600 0.019 0.000 1.026 530 K CA 0.712 57.011 56.287 0.018 0.000 1.119 530 K CB -0.050 32.481 32.500 0.052 0.000 0.856 530 K HN 0.766 nan 8.250 nan 0.000 0.513 531 A N 0.439 123.262 122.820 0.006 0.000 1.948 531 A HA -0.028 4.292 4.320 -0.000 0.000 0.197 531 A C 2.006 179.590 177.584 -0.000 0.000 1.911 531 A CA 0.226 52.263 52.037 -0.000 0.000 1.011 531 A CB -0.556 18.430 19.000 -0.023 0.000 1.119 531 A HN 0.418 nan 8.150 nan 0.000 0.621 532 c N -0.965 117.638 118.600 0.005 0.000 2.539 532 c HA 0.230 4.800 4.570 -0.000 0.000 0.271 532 c C 1.218 175.311 174.090 0.006 0.000 1.412 532 c CA 0.440 56.765 56.329 -0.007 0.000 1.729 532 c CB -0.942 41.540 42.510 -0.047 0.000 1.739 532 c HN 0.605 nan 8.230 nan 0.000 0.570 533 Q N -1.061 118.749 119.800 0.016 0.000 2.264 533 Q HA -0.261 4.078 4.340 -0.000 0.000 0.207 533 Q C 0.237 176.249 176.000 0.019 0.000 0.702 533 Q CA 1.812 57.622 55.803 0.011 0.000 1.411 533 Q CB -1.429 27.311 28.738 0.003 0.000 1.717 533 Q HN 0.826 nan 8.270 nan 0.000 0.683 534 M N -0.052 119.575 119.600 0.044 0.000 2.369 534 M HA 0.379 4.859 4.480 -0.000 0.000 0.291 534 M C 0.587 176.965 176.300 0.130 0.000 1.178 534 M CA -0.630 54.708 55.300 0.062 0.000 0.996 534 M CB 0.685 33.302 32.600 0.029 0.000 1.472 534 M HN 0.008 nan 8.290 nan 0.000 0.496 535 L N 1.663 122.949 121.223 0.105 0.000 2.426 535 L HA 0.127 4.467 4.340 -0.000 0.000 0.271 535 L C -0.756 176.147 176.870 0.055 0.000 1.169 535 L CA -0.615 54.256 54.840 0.052 0.000 0.836 535 L CB 0.114 42.195 42.059 0.036 0.000 1.112 535 L HN 0.373 nan 8.230 nan 0.000 0.465 536 L N 4.325 125.436 121.223 -0.187 0.000 2.319 536 L HA 0.309 4.649 4.340 -0.000 0.000 0.280 536 L C 0.327 177.144 176.870 -0.088 0.000 1.099 536 L CA 0.453 55.101 54.840 -0.319 0.000 0.828 536 L CB 0.557 42.337 42.059 -0.465 0.000 1.150 536 L HN 0.472 nan 8.230 nan 0.000 0.442 537 R N 2.085 122.587 120.500 0.004 0.000 2.532 537 R HA 0.827 5.167 4.340 -0.000 0.000 0.295 537 R C 0.100 176.437 176.300 0.062 0.000 0.968 537 R CA -0.417 55.713 56.100 0.050 0.000 0.916 537 R CB 1.744 32.091 30.300 0.079 0.000 1.124 537 R HN 0.813 nan 8.270 nan 0.000 0.463 538 G N 0.050 108.893 108.800 0.071 0.000 2.498 538 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.651 538 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.651 538 G C 0.103 175.065 174.900 0.103 0.000 1.284 538 G CA -0.214 44.943 45.100 0.094 0.000 0.950 538 G HN 0.597 nan 8.290 nan 0.000 0.511 539 T N -2.949 111.684 114.554 0.132 0.000 3.145 539 T HA 0.589 4.939 4.350 -0.000 0.000 0.281 539 T C -0.143 174.668 174.700 0.185 0.000 1.003 539 T CA 0.900 63.075 62.100 0.126 0.000 0.901 539 T CB 0.158 69.079 68.868 0.088 0.000 1.112 539 T HN 1.934 nan 8.240 nan 0.000 0.535 540 F N 1.449 121.392 119.950 -0.012 0.000 2.881 540 F HA 0.426 4.953 4.527 -0.000 0.000 0.348 540 F C -1.479 174.341 175.800 0.034 0.000 1.240 540 F CA -1.759 56.202 58.000 -0.065 0.000 1.130 540 F CB 0.459 39.440 39.000 -0.031 0.000 1.417 540 F HN 0.152 nan 8.300 nan 0.000 0.585 541 Y N 4.370 124.356 120.300 -0.524 0.000 3.001 541 Y HA -0.293 4.257 4.550 -0.001 0.000 0.199 541 Y C 1.302 177.093 175.900 -0.181 0.000 1.320 541 Y CA 1.293 59.121 58.100 -0.452 0.000 0.974 541 Y CB -1.511 36.504 38.460 -0.742 0.000 1.291 541 Y HN 0.711 nan 8.280 nan 0.000 0.465 542 Q N -0.015 119.851 119.800 0.109 0.000 2.291 542 Q HA 0.212 4.552 4.340 -0.000 0.000 0.205 542 Q C 1.761 177.826 176.000 0.108 0.000 0.970 542 Q CA 1.244 57.116 55.803 0.115 0.000 0.876 542 Q CB 0.247 29.050 28.738 0.110 0.000 0.935 542 Q HN 0.778 nan 8.270 nan 0.000 0.455 543 G N -2.224 106.699 108.800 0.205 0.000 2.539 543 G HA2 0.291 4.250 3.960 -0.000 0.000 0.138 543 G HA3 0.291 4.250 3.960 -0.000 0.000 0.138 543 G C -1.787 173.236 174.900 0.204 0.000 1.148 543 G CA -0.874 44.372 45.100 0.244 0.000 1.057 543 G HN -0.026 nan 8.290 nan 0.000 0.511 544 Y N -0.132 120.340 120.300 0.287 0.000 2.570 544 Y HA 0.886 5.436 4.550 -0.000 0.000 0.345 544 Y C 0.394 176.565 175.900 0.452 0.000 1.014 544 Y CA -0.925 57.362 58.100 0.313 0.000 1.063 544 Y CB 2.333 40.881 38.460 0.147 0.000 1.272 544 Y HN 0.649 nan 8.280 nan 0.000 0.477 545 R N 0.717 121.537 120.500 0.533 0.000 2.604 545 R HA 0.641 4.980 4.340 -0.000 0.000 0.281 545 R C -1.955 174.450 176.300 0.175 0.000 1.020 545 R CA -0.533 55.734 56.100 0.279 0.000 0.899 545 R CB 1.522 31.597 30.300 -0.375 0.000 1.205 545 R HN 0.906 nan 8.270 nan 0.000 0.450 546 C N 5.358 124.623 119.300 -0.058 0.000 2.246 546 C HA 0.312 4.772 4.460 -0.000 0.000 0.329 546 C C 1.371 176.233 174.990 -0.214 0.000 1.221 546 C CA -0.501 58.314 59.018 -0.339 0.000 1.697 546 C CB -0.752 26.601 27.740 -0.646 0.000 2.312 546 C HN 1.096 nan 8.230 nan 0.000 0.509 547 H N 3.289 122.317 119.070 -0.071 0.000 2.568 547 H HA 0.033 4.589 4.556 -0.001 0.000 0.281 547 H C 1.687 176.989 175.328 -0.044 0.000 1.028 547 H CA 1.216 57.235 56.048 -0.049 0.000 1.199 547 H CB -0.257 29.501 29.762 -0.008 0.000 1.352 547 H HN 0.746 nan 8.280 nan 0.000 0.605 548 R N 0.003 120.329 120.500 -0.291 0.000 2.167 548 R HA 0.168 4.508 4.340 -0.000 0.000 0.201 548 R C 1.424 177.663 176.300 -0.103 0.000 1.024 548 R CA 0.959 56.950 56.100 -0.181 0.000 1.053 548 R CB 0.125 30.249 30.300 -0.293 0.000 0.987 548 R HN 0.554 nan 8.270 nan 0.000 0.493 549 C N -0.859 118.377 119.300 -0.106 0.000 3.336 549 C HA 0.477 4.937 4.460 -0.000 0.000 0.291 549 C C 0.772 175.755 174.990 -0.012 0.000 1.363 549 C CA -0.686 58.305 59.018 -0.045 0.000 1.737 549 C CB 0.113 27.838 27.740 -0.026 0.000 2.274 549 C HN 0.533 nan 8.230 nan 0.000 0.663 550 R N -0.403 120.081 120.500 -0.027 0.000 3.954 550 R HA -0.155 4.185 4.340 -0.000 0.000 0.422 550 R C 0.552 176.873 176.300 0.034 0.000 1.091 550 R CA 0.789 56.884 56.100 -0.008 0.000 1.168 550 R CB -2.467 27.835 30.300 0.004 0.000 1.752 550 R HN 0.806 nan 8.270 nan 0.000 0.547 551 A N 1.740 124.595 122.820 0.057 0.000 2.425 551 A HA 0.444 4.764 4.320 -0.000 0.000 0.242 551 A C 0.740 178.459 177.584 0.225 0.000 1.077 551 A CA 0.570 52.686 52.037 0.131 0.000 0.781 551 A CB 0.413 19.518 19.000 0.174 0.000 1.020 551 A HN 0.426 nan 8.150 nan 0.000 0.494 552 S N 0.069 115.873 115.700 0.173 0.000 2.521 552 S HA 0.850 5.320 4.470 -0.000 0.000 0.295 552 S C -0.539 174.070 174.600 0.015 0.000 1.098 552 S CA -0.031 58.256 58.200 0.146 0.000 0.999 552 S CB 1.729 64.821 63.200 -0.181 0.000 1.034 552 S HN 2.118 nan 8.310 nan 0.000 0.483 553 A N 1.695 124.509 122.820 -0.010 0.000 2.572 553 A HA 0.723 5.043 4.320 -0.000 0.000 0.295 553 A C -0.967 176.551 177.584 -0.109 0.000 1.072 553 A CA -0.889 51.061 52.037 -0.144 0.000 0.691 553 A CB 0.520 19.305 19.000 -0.358 0.000 1.291 553 A HN 0.953 nan 8.150 nan 0.000 0.404 554 H N 0.775 119.794 119.070 -0.084 0.000 2.836 554 H HA 0.151 4.707 4.556 -0.001 0.000 0.368 554 H C 1.466 176.720 175.328 -0.122 0.000 1.164 554 H CA 1.135 57.162 56.048 -0.036 0.000 1.425 554 H CB 0.886 30.614 29.762 -0.056 0.000 1.414 554 H HN 0.802 nan 8.280 nan 0.000 0.614 555 K N 1.388 121.825 120.400 0.063 0.000 2.063 555 K HA -0.227 4.092 4.320 -0.000 0.000 0.208 555 K C 1.073 177.546 176.600 -0.212 0.000 1.048 555 K CA 2.046 58.202 56.287 -0.218 0.000 0.928 555 K CB 0.162 32.654 32.500 -0.014 0.000 0.713 555 K HN 0.620 nan 8.250 nan 0.000 0.442 556 E N -0.085 120.065 120.200 -0.084 0.000 2.107 556 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 556 E C 1.881 178.411 176.600 -0.116 0.000 0.982 556 E CA 1.051 57.393 56.400 -0.097 0.000 0.809 556 E CB -0.292 29.364 29.700 -0.073 0.000 0.756 556 E HN 0.289 nan 8.360 nan 0.000 0.459 557 c N 1.205 119.745 118.600 -0.100 0.000 2.511 557 c HA 0.112 4.681 4.570 -0.000 0.000 0.277 557 c C 2.227 176.209 174.090 -0.179 0.000 1.451 557 c CA -0.142 56.125 56.329 -0.104 0.000 1.735 557 c CB -1.387 41.100 42.510 -0.037 0.000 1.704 557 c HN 0.422 nan 8.230 nan 0.000 0.571 558 L N 1.100 122.156 121.223 -0.279 0.000 2.013 558 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 558 L C 2.678 179.402 176.870 -0.244 0.000 1.073 558 L CA 2.095 56.670 54.840 -0.442 0.000 0.753 558 L CB -0.930 40.820 42.059 -0.515 0.000 0.890 558 L HN 0.519 nan 8.230 nan 0.000 0.432 559 G N -0.976 107.752 108.800 -0.120 0.000 2.511 559 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 559 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 559 G C 1.590 176.491 174.900 0.001 0.000 1.133 559 G CA -0.086 45.000 45.100 -0.023 0.000 0.792 559 G HN 0.312 nan 8.290 nan 0.000 0.539 560 R N -0.190 120.291 120.500 -0.031 0.000 2.323 560 R HA 0.127 4.466 4.340 -0.000 0.000 0.198 560 R C 0.065 176.374 176.300 0.014 0.000 0.988 560 R CA -0.225 55.870 56.100 -0.008 0.000 1.041 560 R CB 0.228 30.514 30.300 -0.025 0.000 0.926 560 R HN 0.176 nan 8.270 nan 0.000 0.476 561 V N 4.002 123.922 119.914 0.009 0.000 2.439 561 V HA 0.093 4.212 4.120 -0.000 0.000 0.271 561 V C -1.947 174.255 176.094 0.180 0.000 1.040 561 V CA -1.755 60.576 62.300 0.053 0.000 1.002 561 V CB 0.644 32.461 31.823 -0.009 0.000 1.000 561 V HN 0.018 nan 8.190 nan 0.000 0.477 562 P HA -0.016 nan 4.420 nan 0.000 0.265 562 P C -2.436 175.031 177.300 0.279 0.000 1.167 562 P CA -0.482 62.718 63.100 0.165 0.000 0.760 562 P CB -0.357 31.411 31.700 0.113 0.000 0.783 563 P HA -0.109 nan 4.420 nan 0.000 0.267 563 P C -1.023 176.160 177.300 -0.197 0.000 1.201 563 P CA 0.006 63.100 63.100 -0.011 0.000 0.775 563 P CB 0.441 32.123 31.700 -0.030 0.000 0.854 564 C N 0.000 118.934 119.300 -0.609 0.000 2.653 564 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 564 C CA 0.000 58.680 59.018 -0.563 0.000 1.963 564 C CB 0.000 27.334 27.740 -0.676 0.000 2.134 564 C HN 0.000 nan 8.230 nan 0.000 0.568