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 2vvl_1_F DATA FIRST_RESID 2 DATA SEQUENCE TSRDGYQWTP ETGLTQGVPS LGVISPPTNI EXXXXXGPWD VIVIGGGYCG DATA SEQUENCE LTATRDLTVA GFKTLLLEAR DRIGGRSWSS NIDGYPYEMG GTWVHWHQSH DATA SEQUENCE VWREITRYKM HNALSPSFNF SRGVNHFQLR TNPTTSTYMT HEAEDELLRS DATA SEQUENCE ALHKFTNVDG TNGRTVLPFP HDMFYVPEFR KYDEMSYSER IDQIRDELSL DATA SEQUENCE NERSSLEAFI LLCSGGTLEN SSFGEFLHWW AMSGYTYQGC MDCLMSYKFK DATA SEQUENCE DGQSAFARRF WEEAAGTGRL GYVFGCPVRS VVNERDAARV TARDGREFVA DATA SEQUENCE KRVVCTIPLN VLSTIQFSPA LSTERISAMQ AGHVSMCTKV HAEVDNKDMR DATA SEQUENCE SWTGIAYPFN KLCYAIGDGT TPAGNTHLVC FGTDANHIQP DEDVRETLKA DATA SEQUENCE VGQLAPGTFG VKRLVFHNWV KDEFAKGAWF FSRPGMVSEC LQGLREKHGG DATA SEQUENCE VVFANSDWAL GWRSFIDGAI EEGTRAARVV LEE 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.656 174.700 -0.074 0.000 1.109 2 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 2 T CB 0.000 68.846 68.868 -0.036 0.000 0.612 3 S N 0.676 116.329 115.700 -0.080 0.000 2.600 3 S HA 0.371 4.841 4.470 0.000 0.000 0.265 3 S C 1.417 175.945 174.600 -0.121 0.000 1.325 3 S CA -0.698 57.410 58.200 -0.154 0.000 1.002 3 S CB 0.624 63.655 63.200 -0.280 0.000 0.921 3 S HN 0.727 nan 8.310 nan 0.000 0.554 4 R N 0.430 120.846 120.500 -0.141 0.000 2.240 4 R HA 0.107 4.447 4.340 0.000 0.000 0.203 4 R C -0.260 175.966 176.300 -0.123 0.000 1.011 4 R CA 0.265 56.297 56.100 -0.113 0.000 1.007 4 R CB -0.124 30.128 30.300 -0.080 0.000 0.911 4 R HN 0.577 nan 8.270 nan 0.000 0.468 5 D N 0.259 120.568 120.400 -0.153 0.000 2.358 5 D HA 0.322 4.962 4.640 0.000 0.000 0.244 5 D C 0.741 177.133 176.300 0.153 0.000 1.163 5 D CA 0.893 54.858 54.000 -0.058 0.000 0.945 5 D CB 0.791 41.323 40.800 -0.447 0.000 1.152 5 D HN 0.242 nan 8.370 nan 0.000 0.451 6 G N -0.484 108.528 108.800 0.353 0.000 2.758 6 G HA2 -0.096 3.865 3.960 0.000 0.000 0.686 6 G HA3 -0.096 3.865 3.960 0.000 0.000 0.686 6 G C -1.541 173.207 174.900 -0.253 0.000 1.389 6 G CA -0.722 44.492 45.100 0.190 0.000 0.845 6 G HN 0.338 nan 8.290 nan 0.000 0.572 7 Y N -0.347 119.785 120.300 -0.280 0.000 2.588 7 Y HA 0.750 5.300 4.550 0.000 0.000 0.343 7 Y C 0.286 175.879 175.900 -0.511 0.000 1.065 7 Y CA -0.572 57.243 58.100 -0.475 0.000 1.038 7 Y CB 2.522 40.401 38.460 -0.969 0.000 1.297 7 Y HN 0.868 nan 8.280 nan 0.000 0.467 8 Q N 1.233 120.950 119.800 -0.138 0.000 2.389 8 Q HA 0.464 4.804 4.340 0.000 0.000 0.277 8 Q C -2.250 173.811 176.000 0.101 0.000 1.082 8 Q CA -0.821 54.932 55.803 -0.084 0.000 0.810 8 Q CB 2.653 31.332 28.738 -0.098 0.000 1.374 8 Q HN 0.752 nan 8.270 nan 0.000 0.422 9 W N 3.191 124.461 121.300 -0.049 0.000 3.097 9 W HA 0.575 5.235 4.660 0.000 0.000 0.335 9 W C -1.427 175.099 176.519 0.013 0.000 1.114 9 W CA -0.326 57.027 57.345 0.013 0.000 1.231 9 W CB 1.795 31.302 29.460 0.078 0.000 1.388 9 W HN 0.682 nan 8.180 nan 0.000 0.485 10 T N 2.280 116.355 114.554 -0.798 0.000 2.916 10 T HA 0.507 4.857 4.350 0.000 0.000 0.292 10 T C -2.500 171.212 174.700 -1.647 0.000 1.064 10 T CA -1.951 59.581 62.100 -0.946 0.000 1.011 10 T CB 2.345 70.962 68.868 -0.419 0.000 1.152 10 T HN 0.170 nan 8.240 nan 0.000 0.510 11 P HA -0.009 nan 4.420 nan 0.000 0.218 11 P C 0.951 178.012 177.300 -0.397 0.000 1.149 11 P CA 0.984 63.675 63.100 -0.682 0.000 0.817 11 P CB 0.123 31.676 31.700 -0.245 0.000 0.785 12 E N -1.183 118.814 120.200 -0.338 0.000 2.076 12 E HA -0.095 4.255 4.350 0.000 0.000 0.190 12 E C 1.908 178.389 176.600 -0.198 0.000 0.979 12 E CA 1.843 58.119 56.400 -0.207 0.000 0.807 12 E CB -1.110 28.498 29.700 -0.153 0.000 0.761 12 E HN 0.349 nan 8.360 nan 0.000 0.454 13 T N -2.918 111.480 114.554 -0.260 0.000 3.037 13 T HA 0.406 4.756 4.350 0.000 0.000 0.251 13 T C 1.204 175.801 174.700 -0.173 0.000 1.079 13 T CA 0.152 62.142 62.100 -0.183 0.000 1.067 13 T CB 0.058 68.834 68.868 -0.155 0.000 0.948 13 T HN 0.292 nan 8.240 nan 0.000 0.496 14 G N 1.571 110.181 108.800 -0.318 0.000 2.645 14 G HA2 -0.115 3.845 3.960 0.000 0.000 0.239 14 G HA3 -0.115 3.845 3.960 0.000 0.000 0.239 14 G C -0.645 174.270 174.900 0.025 0.000 1.331 14 G CA -0.340 44.675 45.100 -0.142 0.000 0.890 14 G HN 0.783 nan 8.290 nan 0.000 0.572 15 L N 0.992 122.393 121.223 0.296 0.000 2.319 15 L HA 0.656 4.996 4.340 0.000 0.000 0.280 15 L C 0.699 177.682 176.870 0.188 0.000 1.099 15 L CA 0.514 55.539 54.840 0.308 0.000 0.828 15 L CB 0.902 43.142 42.059 0.302 0.000 1.150 15 L HN 0.773 nan 8.230 nan 0.000 0.442 16 T N 4.933 119.581 114.554 0.156 0.000 2.841 16 T HA 0.393 4.743 4.350 0.000 0.000 0.283 16 T C -0.833 173.895 174.700 0.048 0.000 1.000 16 T CA -0.428 61.715 62.100 0.073 0.000 0.977 16 T CB 1.569 70.439 68.868 0.004 0.000 0.979 16 T HN 0.642 nan 8.240 nan 0.000 0.446 17 Q N 1.161 120.931 119.800 -0.050 0.000 2.274 17 Q HA 0.588 4.928 4.340 0.000 0.000 0.260 17 Q C -0.192 175.685 176.000 -0.205 0.000 0.974 17 Q CA -0.268 55.362 55.803 -0.289 0.000 0.876 17 Q CB 1.289 29.836 28.738 -0.318 0.000 1.297 17 Q HN 1.079 nan 8.270 nan 0.000 0.446 18 G N 0.887 109.545 108.800 -0.236 0.000 3.338 18 G HA2 0.034 3.994 3.960 0.000 0.000 0.686 18 G HA3 0.034 3.994 3.960 0.000 0.000 0.686 18 G C -1.021 173.842 174.900 -0.062 0.000 1.053 18 G CA -0.355 44.674 45.100 -0.118 0.000 0.852 18 G HN 1.123 nan 8.290 nan 0.000 0.545 19 V N 0.564 120.482 119.914 0.007 0.000 2.962 19 V HA 0.986 5.106 4.120 0.000 0.000 0.313 19 V C -2.397 173.742 176.094 0.075 0.000 1.099 19 V CA -2.703 59.612 62.300 0.026 0.000 0.971 19 V CB 2.246 34.073 31.823 0.007 0.000 1.028 19 V HN 0.641 nan 8.190 nan 0.000 0.430 20 P HA 0.384 nan 4.420 nan 0.000 0.270 20 P C -0.529 176.840 177.300 0.116 0.000 1.223 20 P CA 0.266 63.394 63.100 0.045 0.000 0.785 20 P CB 0.786 32.498 31.700 0.020 0.000 0.923 21 S N 0.847 116.592 115.700 0.076 0.000 2.563 21 S HA 0.234 4.704 4.470 0.000 0.000 0.279 21 S C 0.599 175.194 174.600 -0.008 0.000 1.155 21 S CA -0.613 57.654 58.200 0.111 0.000 0.928 21 S CB 0.265 63.632 63.200 0.278 0.000 1.107 21 S HN 0.242 nan 8.310 nan 0.000 0.462 22 L N 3.804 125.018 121.223 -0.015 0.000 2.353 22 L HA 0.085 4.425 4.340 0.000 0.000 0.220 22 L C 2.510 179.293 176.870 -0.146 0.000 1.133 22 L CA 1.393 56.189 54.840 -0.073 0.000 0.798 22 L CB -0.429 41.597 42.059 -0.055 0.000 0.922 22 L HN 0.878 nan 8.230 nan 0.000 0.445 23 G N -0.437 108.281 108.800 -0.137 0.000 2.509 23 G HA2 -0.065 3.895 3.960 0.000 0.000 0.218 23 G HA3 -0.065 3.895 3.960 0.000 0.000 0.218 23 G C 0.760 175.398 174.900 -0.438 0.000 1.124 23 G CA -0.120 44.819 45.100 -0.269 0.000 0.776 23 G HN 0.123 nan 8.290 nan 0.000 0.547 24 V N 2.613 122.312 119.914 -0.359 0.000 2.529 24 V HA 0.101 4.221 4.120 0.000 0.000 0.292 24 V C 0.103 175.903 176.094 -0.490 0.000 1.028 24 V CA -0.194 61.856 62.300 -0.417 0.000 1.074 24 V CB 1.173 32.836 31.823 -0.268 0.000 0.958 24 V HN 0.101 nan 8.190 nan 0.000 0.481 25 I N 4.615 124.771 120.570 -0.690 0.000 2.307 25 I HA 0.359 4.529 4.170 0.000 0.000 0.289 25 I C 0.283 176.202 176.117 -0.331 0.000 1.021 25 I CA 0.307 61.198 61.300 -0.682 0.000 1.224 25 I CB 0.905 38.124 38.000 -1.302 0.000 1.376 25 I HN 0.522 nan 8.210 nan 0.000 0.470 26 S N 7.749 123.350 115.700 -0.164 0.000 2.552 26 S HA 0.643 5.113 4.470 0.000 0.000 0.314 26 S C -1.911 172.714 174.600 0.041 0.000 1.099 26 S CA -0.824 57.348 58.200 -0.045 0.000 1.070 26 S CB 1.771 64.937 63.200 -0.056 0.000 0.998 26 S HN 0.497 nan 8.310 nan 0.000 0.474 27 P HA 0.392 nan 4.420 nan 0.000 0.276 27 P C -2.378 175.032 177.300 0.184 0.000 1.252 27 P CA -1.426 61.733 63.100 0.097 0.000 0.802 27 P CB 0.262 32.014 31.700 0.087 0.000 1.035 28 P HA 0.018 nan 4.420 nan 0.000 0.242 28 P C 0.234 177.750 177.300 0.361 0.000 1.197 28 P CA 0.831 64.078 63.100 0.246 0.000 0.765 28 P CB 0.412 32.196 31.700 0.141 0.000 0.936 29 T N 0.371 115.017 114.554 0.153 0.000 2.885 29 T HA 0.334 4.684 4.350 0.000 0.000 0.322 29 T C -0.295 174.191 174.700 -0.356 0.000 1.387 29 T CA -0.603 61.407 62.100 -0.150 0.000 1.041 29 T CB 0.856 69.702 68.868 -0.037 0.000 1.287 29 T HN -0.056 nan 8.240 nan 0.000 0.491 30 N N 2.513 120.832 118.700 -0.636 0.000 2.170 30 N HA 0.193 4.933 4.740 0.000 0.000 0.222 30 N C 0.293 175.719 175.510 -0.140 0.000 1.218 30 N CA -0.296 52.544 53.050 -0.351 0.000 0.889 30 N CB -0.223 38.031 38.487 -0.387 0.000 1.083 30 N HN 0.781 nan 8.380 nan 0.000 0.520 31 I N -2.501 118.012 120.570 -0.095 0.000 2.607 31 I HA 0.653 4.823 4.170 0.000 0.000 0.305 31 I C -0.426 175.721 176.117 0.051 0.000 0.995 31 I CA -0.794 60.533 61.300 0.045 0.000 1.148 31 I CB 1.734 39.835 38.000 0.167 0.000 1.323 31 I HN -0.161 nan 8.210 nan 0.000 0.461 39 P HA 0.726 nan 4.420 nan 0.000 0.283 39 P C -1.834 175.037 177.300 -0.715 0.000 1.271 39 P CA -0.566 62.211 63.100 -0.538 0.000 0.841 39 P CB 1.409 32.974 31.700 -0.224 0.000 1.122 40 W N -0.286 121.048 121.300 0.057 0.000 2.883 40 W HA 0.272 4.932 4.660 0.000 0.000 0.335 40 W C 0.662 177.226 176.519 0.076 0.000 1.083 40 W CA -0.515 56.868 57.345 0.064 0.000 1.233 40 W CB 1.542 31.038 29.460 0.061 0.000 1.412 40 W HN 0.261 nan 8.180 nan 0.000 0.490 41 D N 1.046 121.651 120.400 0.341 0.000 2.123 41 D HA -0.032 4.608 4.640 0.000 0.000 0.200 41 D C 0.226 176.657 176.300 0.218 0.000 0.976 41 D CA 1.381 55.554 54.000 0.289 0.000 0.831 41 D CB 0.353 41.413 40.800 0.433 0.000 0.974 41 D HN 0.030 nan 8.370 nan 0.000 0.469 42 V N 1.122 121.164 119.914 0.213 0.000 2.733 42 V HA 0.347 4.467 4.120 0.000 0.000 0.306 42 V C -0.324 175.785 176.094 0.025 0.000 1.084 42 V CA -0.791 61.559 62.300 0.084 0.000 0.905 42 V CB 2.643 34.473 31.823 0.012 0.000 1.010 42 V HN -0.121 nan 8.190 nan 0.000 0.424 43 I N 3.718 124.267 120.570 -0.036 0.000 2.359 43 I HA 0.501 4.671 4.170 0.000 0.000 0.294 43 I C -0.502 175.541 176.117 -0.125 0.000 0.987 43 I CA -0.785 60.427 61.300 -0.146 0.000 1.225 43 I CB 1.941 39.851 38.000 -0.149 0.000 1.366 43 I HN 0.329 nan 8.210 nan 0.000 0.466 44 V N 7.559 127.379 119.914 -0.158 0.000 2.347 44 V HA 0.388 4.508 4.120 0.000 0.000 0.280 44 V C 0.098 176.101 176.094 -0.152 0.000 1.021 44 V CA -0.502 61.727 62.300 -0.119 0.000 0.847 44 V CB 1.385 33.158 31.823 -0.084 0.000 0.990 44 V HN 0.450 nan 8.190 nan 0.000 0.444 45 I N 4.667 125.171 120.570 -0.111 0.000 2.312 45 I HA 0.701 4.871 4.170 0.000 0.000 0.291 45 I C 0.796 176.862 176.117 -0.085 0.000 1.031 45 I CA 0.040 61.271 61.300 -0.115 0.000 1.293 45 I CB 0.988 38.953 38.000 -0.058 0.000 1.403 45 I HN 0.852 nan 8.210 nan 0.000 0.484 46 G N 3.717 112.434 108.800 -0.138 0.000 3.355 46 G HA2 0.022 3.982 3.960 0.000 0.000 0.686 46 G HA3 0.022 3.982 3.960 0.000 0.000 0.686 46 G C -0.013 174.819 174.900 -0.113 0.000 1.097 46 G CA -0.513 44.519 45.100 -0.114 0.000 0.881 46 G HN 1.027 nan 8.290 nan 0.000 0.550 47 G N 0.925 109.649 108.800 -0.127 0.000 3.959 47 G HA2 0.673 4.634 3.960 0.000 0.000 0.298 47 G HA3 0.673 4.634 3.960 0.000 0.000 0.298 47 G C 0.941 175.753 174.900 -0.148 0.000 1.211 47 G CA 0.933 45.976 45.100 -0.095 0.000 1.001 47 G HN 1.300 nan 8.290 nan 0.000 0.561 48 G N -0.506 108.208 108.800 -0.142 0.000 2.516 48 G HA2 0.268 4.228 3.960 0.000 0.000 0.276 48 G HA3 0.268 4.228 3.960 0.000 0.000 0.276 48 G C 0.623 175.361 174.900 -0.271 0.000 1.390 48 G CA -0.490 44.485 45.100 -0.207 0.000 1.050 48 G HN 0.179 nan 8.290 nan 0.000 0.519 49 Y N -1.343 118.876 120.300 -0.136 0.000 2.333 49 Y HA -0.085 4.465 4.550 0.000 0.000 0.290 49 Y C 2.857 178.649 175.900 -0.180 0.000 1.144 49 Y CA 0.878 58.823 58.100 -0.257 0.000 1.228 49 Y CB -0.569 37.776 38.460 -0.192 0.000 0.985 49 Y HN 0.401 nan 8.280 nan 0.000 0.542 50 C N -0.302 119.010 119.300 0.021 0.000 2.453 50 C HA -0.049 4.411 4.460 0.000 0.000 0.277 50 C C 3.008 177.997 174.990 -0.001 0.000 1.262 50 C CA 1.598 60.618 59.018 0.003 0.000 1.718 50 C CB -1.320 26.401 27.740 -0.032 0.000 2.031 50 C HN 0.659 nan 8.230 nan 0.000 0.480 51 G N -0.016 108.769 108.800 -0.025 0.000 2.421 51 G HA2 -0.047 3.913 3.960 0.000 0.000 0.217 51 G HA3 -0.047 3.913 3.960 0.000 0.000 0.217 51 G C 1.619 176.524 174.900 0.008 0.000 1.143 51 G CA 0.687 45.776 45.100 -0.018 0.000 0.784 51 G HN 0.569 nan 8.290 nan 0.000 0.541 52 L N 0.552 121.762 121.223 -0.022 0.000 2.056 52 L HA -0.074 4.266 4.340 0.000 0.000 0.207 52 L C 3.174 180.144 176.870 0.168 0.000 1.078 52 L CA 1.527 56.390 54.840 0.038 0.000 0.749 52 L CB -0.674 41.299 42.059 -0.144 0.000 0.901 52 L HN 0.149 nan 8.230 nan 0.000 0.433 53 T N -0.191 114.449 114.554 0.144 0.000 2.737 53 T HA -0.151 4.199 4.350 0.000 0.000 0.265 53 T C 2.022 176.826 174.700 0.174 0.000 1.038 53 T CA 1.275 63.540 62.100 0.275 0.000 1.144 53 T CB -0.263 68.744 68.868 0.232 0.000 0.866 53 T HN 0.431 nan 8.240 nan 0.000 0.434 54 A N 1.361 124.241 122.820 0.100 0.000 1.902 54 A HA -0.132 4.188 4.320 0.000 0.000 0.217 54 A C 2.560 180.178 177.584 0.057 0.000 1.181 54 A CA 2.097 54.170 52.037 0.060 0.000 0.623 54 A CB -1.242 17.774 19.000 0.026 0.000 0.818 54 A HN 0.472 nan 8.150 nan 0.000 0.443 55 T N -0.770 113.823 114.554 0.064 0.000 2.737 55 T HA -0.114 4.236 4.350 0.000 0.000 0.265 55 T C 2.156 176.896 174.700 0.068 0.000 1.038 55 T CA 1.190 63.321 62.100 0.051 0.000 1.144 55 T CB -0.261 68.632 68.868 0.040 0.000 0.866 55 T HN 0.395 nan 8.240 nan 0.000 0.434 56 R N 1.390 121.958 120.500 0.113 0.000 2.094 56 R HA -0.148 4.192 4.340 0.000 0.000 0.239 56 R C 1.784 178.140 176.300 0.093 0.000 1.137 56 R CA 1.941 58.110 56.100 0.115 0.000 0.943 56 R CB -0.835 29.589 30.300 0.205 0.000 0.850 56 R HN 0.322 nan 8.270 nan 0.000 0.433 57 D N 0.515 120.976 120.400 0.102 0.000 2.084 57 D HA -0.135 4.505 4.640 0.000 0.000 0.194 57 D C 2.123 178.479 176.300 0.094 0.000 0.990 57 D CA 1.170 55.221 54.000 0.084 0.000 0.826 57 D CB -0.315 40.532 40.800 0.078 0.000 0.971 57 D HN 0.219 nan 8.370 nan 0.000 0.453 58 L N 0.582 121.856 121.223 0.085 0.000 2.046 58 L HA -0.158 4.182 4.340 0.000 0.000 0.208 58 L C 2.644 179.642 176.870 0.213 0.000 1.077 58 L CA 1.677 56.590 54.840 0.122 0.000 0.747 58 L CB -0.883 41.201 42.059 0.042 0.000 0.896 58 L HN 0.178 nan 8.230 nan 0.000 0.432 59 T N -3.591 111.044 114.554 0.135 0.000 2.821 59 T HA -0.104 4.246 4.350 0.000 0.000 0.267 59 T C 1.793 176.546 174.700 0.090 0.000 1.046 59 T CA 1.040 63.208 62.100 0.112 0.000 1.139 59 T CB -0.620 68.280 68.868 0.053 0.000 0.871 59 T HN 0.082 nan 8.240 nan 0.000 0.454 60 V N 1.845 121.807 119.914 0.080 0.000 2.453 60 V HA 0.086 4.206 4.120 0.000 0.000 0.247 60 V C 3.060 179.197 176.094 0.071 0.000 1.048 60 V CA 1.415 63.749 62.300 0.057 0.000 1.049 60 V CB -1.078 30.770 31.823 0.043 0.000 0.672 60 V HN 0.683 nan 8.190 nan 0.000 0.457 61 A N -0.734 122.162 122.820 0.127 0.000 2.235 61 A HA 0.380 4.700 4.320 0.000 0.000 0.208 61 A C 1.864 179.512 177.584 0.107 0.000 1.172 61 A CA 1.081 53.212 52.037 0.156 0.000 0.786 61 A CB -0.383 18.768 19.000 0.252 0.000 0.804 61 A HN 1.168 nan 8.150 nan 0.000 0.479 62 G N -2.287 106.561 108.800 0.080 0.000 2.148 62 G HA2 -0.195 3.765 3.960 0.000 0.000 0.203 62 G HA3 -0.195 3.765 3.960 0.000 0.000 0.203 62 G C -0.101 174.701 174.900 -0.162 0.000 0.993 62 G CA -0.171 44.888 45.100 -0.068 0.000 0.661 62 G HN 0.290 nan 8.290 nan 0.000 0.518 63 F N 1.727 121.700 119.950 0.039 0.000 2.396 63 F HA 0.503 5.031 4.527 0.000 0.000 0.343 63 F C 1.113 176.962 175.800 0.082 0.000 1.104 63 F CA -0.710 57.323 58.000 0.055 0.000 1.161 63 F CB 0.979 40.013 39.000 0.057 0.000 1.146 63 F HN -0.256 nan 8.300 nan 0.000 0.522 64 K N 2.632 123.183 120.400 0.252 0.000 2.412 64 K HA 0.203 4.523 4.320 0.000 0.000 0.284 64 K C -0.465 176.374 176.600 0.399 0.000 1.046 64 K CA 0.177 56.636 56.287 0.287 0.000 0.999 64 K CB 0.505 33.129 32.500 0.208 0.000 0.941 64 K HN 0.596 nan 8.250 nan 0.000 0.474 65 T N 3.408 118.174 114.554 0.353 0.000 2.881 65 T HA 0.304 4.654 4.350 0.000 0.000 0.291 65 T C -0.911 173.758 174.700 -0.052 0.000 0.990 65 T CA -0.691 61.509 62.100 0.167 0.000 0.976 65 T CB 1.129 70.054 68.868 0.096 0.000 0.970 65 T HN 0.287 nan 8.240 nan 0.000 0.438 66 L N 4.553 125.572 121.223 -0.340 0.000 2.294 66 L HA 0.675 5.016 4.340 0.000 0.000 0.283 66 L C -1.026 175.559 176.870 -0.476 0.000 1.015 66 L CA -0.746 53.638 54.840 -0.760 0.000 0.831 66 L CB 0.890 41.984 42.059 -1.608 0.000 1.217 66 L HN 0.673 nan 8.230 nan 0.000 0.420 67 L N 5.868 126.877 121.223 -0.356 0.000 2.289 67 L HA 0.607 4.947 4.340 0.000 0.000 0.285 67 L C -1.327 175.283 176.870 -0.434 0.000 1.049 67 L CA -0.388 54.277 54.840 -0.290 0.000 0.804 67 L CB 0.996 42.982 42.059 -0.121 0.000 1.195 67 L HN 0.635 nan 8.230 nan 0.000 0.428 68 L N 4.666 125.618 121.223 -0.452 0.000 2.349 68 L HA 0.559 4.899 4.340 0.000 0.000 0.278 68 L C -0.879 175.709 176.870 -0.470 0.000 0.996 68 L CA -0.535 53.995 54.840 -0.517 0.000 0.825 68 L CB 1.813 43.566 42.059 -0.509 0.000 1.243 68 L HN 0.502 nan 8.230 nan 0.000 0.412 69 E N 1.763 121.608 120.200 -0.592 0.000 2.222 69 E HA 0.597 4.947 4.350 0.000 0.000 0.267 69 E C 0.148 176.525 176.600 -0.371 0.000 0.884 69 E CA -0.297 55.818 56.400 -0.475 0.000 0.764 69 E CB 2.189 31.564 29.700 -0.541 0.000 1.169 69 E HN 0.543 nan 8.360 nan 0.000 0.413 70 A N 5.013 127.563 122.820 -0.449 0.000 1.930 70 A HA -0.009 4.311 4.320 0.000 0.000 0.217 70 A C 0.917 178.209 177.584 -0.485 0.000 1.175 70 A CA 0.972 52.616 52.037 -0.655 0.000 0.627 70 A CB -0.241 17.879 19.000 -1.467 0.000 0.815 70 A HN 0.608 nan 8.150 nan 0.000 0.443 71 R N -0.153 120.140 120.500 -0.346 0.000 2.519 71 R HA 0.335 4.675 4.340 0.000 0.000 0.244 71 R C -0.108 176.166 176.300 -0.043 0.000 1.241 71 R CA 0.065 56.069 56.100 -0.161 0.000 1.120 71 R CB -0.057 30.135 30.300 -0.180 0.000 1.333 71 R HN 0.348 nan 8.270 nan 0.000 0.587 72 D N -0.620 119.704 120.400 -0.125 0.000 2.340 72 D HA 0.023 4.663 4.640 0.000 0.000 0.217 72 D C -0.069 175.985 176.300 -0.410 0.000 1.081 72 D CA -0.199 53.698 54.000 -0.172 0.000 0.842 72 D CB 0.047 40.750 40.800 -0.163 0.000 0.934 72 D HN 0.450 nan 8.370 nan 0.000 0.511 73 R N -0.173 120.078 120.500 -0.414 0.000 2.739 73 R HA 0.588 4.928 4.340 0.000 0.000 0.271 73 R C -0.212 175.826 176.300 -0.436 0.000 1.010 73 R CA -1.125 54.635 56.100 -0.566 0.000 0.897 73 R CB 1.086 31.067 30.300 -0.531 0.000 1.236 73 R HN 0.037 nan 8.270 nan 0.000 0.466 74 I N -1.509 118.757 120.570 -0.508 0.000 3.110 74 I HA 0.768 4.938 4.170 0.000 0.000 0.314 74 I C 0.683 176.610 176.117 -0.317 0.000 1.020 74 I CA 0.043 61.137 61.300 -0.344 0.000 1.169 74 I CB 1.338 39.086 38.000 -0.420 0.000 1.437 74 I HN 0.956 nan 8.210 nan 0.000 0.595 75 G N 0.562 109.164 108.800 -0.330 0.000 2.352 75 G HA2 0.014 3.974 3.960 0.000 0.000 0.204 75 G HA3 0.014 3.974 3.960 0.000 0.000 0.204 75 G C 0.915 175.708 174.900 -0.179 0.000 1.004 75 G CA 0.087 44.989 45.100 -0.330 0.000 0.648 75 G HN 1.930 nan 8.290 nan 0.000 0.491 76 G N 0.589 109.324 108.800 -0.109 0.000 2.660 76 G HA2 -0.411 3.549 3.960 0.000 0.000 0.321 76 G HA3 -0.411 3.549 3.960 0.000 0.000 0.321 76 G C 0.894 175.920 174.900 0.211 0.000 1.246 76 G CA 1.458 46.575 45.100 0.029 0.000 1.000 76 G HN 1.139 nan 8.290 nan 0.000 0.550 77 R N 0.898 121.487 120.500 0.148 0.000 2.328 77 R HA 0.371 4.711 4.340 0.000 0.000 0.200 77 R C 0.799 177.128 176.300 0.049 0.000 0.983 77 R CA 0.841 56.899 56.100 -0.070 0.000 1.062 77 R CB -0.063 30.108 30.300 -0.214 0.000 0.956 77 R HN 0.367 nan 8.270 nan 0.000 0.479 78 S N 0.692 116.588 115.700 0.325 0.000 2.614 78 S HA 0.565 5.035 4.470 0.000 0.000 0.288 78 S C -1.709 173.207 174.600 0.526 0.000 1.137 78 S CA -0.834 57.611 58.200 0.409 0.000 0.992 78 S CB 0.782 64.254 63.200 0.454 0.000 1.026 78 S HN 0.379 nan 8.310 nan 0.000 0.486 79 W N 1.795 123.215 121.300 0.200 0.000 3.064 79 W HA 0.627 5.287 4.660 0.000 0.000 0.328 79 W C -2.016 174.568 176.519 0.108 0.000 1.210 79 W CA -0.653 56.758 57.345 0.109 0.000 1.178 79 W CB 0.596 30.083 29.460 0.045 0.000 1.416 79 W HN 0.571 nan 8.180 nan 0.000 0.568 80 S N 1.096 116.894 115.700 0.163 0.000 2.536 80 S HA 0.637 5.107 4.470 0.000 0.000 0.287 80 S C -1.379 173.216 174.600 -0.008 0.000 1.101 80 S CA -0.307 57.867 58.200 -0.044 0.000 0.950 80 S CB 1.756 64.962 63.200 0.009 0.000 1.056 80 S HN 0.628 nan 8.310 nan 0.000 0.481 81 S N 3.805 119.436 115.700 -0.115 0.000 2.707 81 S HA 0.442 4.912 4.470 0.000 0.000 0.312 81 S C -1.147 173.465 174.600 0.020 0.000 1.116 81 S CA -0.843 57.342 58.200 -0.025 0.000 1.078 81 S CB 0.079 63.221 63.200 -0.097 0.000 0.997 81 S HN 0.730 nan 8.310 nan 0.000 0.477 82 N N 4.713 123.426 118.700 0.021 0.000 2.420 82 N HA 0.317 5.057 4.740 0.000 0.000 0.262 82 N C -0.781 174.779 175.510 0.083 0.000 1.144 82 N CA 0.224 53.292 53.050 0.031 0.000 0.952 82 N CB 0.421 38.906 38.487 -0.004 0.000 1.081 82 N HN 0.615 nan 8.380 nan 0.000 0.480 83 I N 1.475 122.155 120.570 0.183 0.000 2.439 83 I HA 0.094 4.264 4.170 0.000 0.000 0.285 83 I C -0.200 176.034 176.117 0.195 0.000 1.021 83 I CA -0.604 60.799 61.300 0.171 0.000 1.091 83 I CB 1.380 39.455 38.000 0.126 0.000 1.242 83 I HN 0.284 nan 8.210 nan 0.000 0.439 84 D N 5.431 125.894 120.400 0.105 0.000 2.737 84 D HA -0.215 4.425 4.640 0.000 0.000 0.233 84 D C 1.173 177.528 176.300 0.092 0.000 1.155 84 D CA 1.707 55.758 54.000 0.084 0.000 0.667 84 D CB -0.839 40.009 40.800 0.079 0.000 1.060 84 D HN 1.159 nan 8.370 nan 0.000 0.427 85 G N -0.904 107.943 108.800 0.079 0.000 2.199 85 G HA2 -0.380 3.580 3.960 0.000 0.000 0.254 85 G HA3 -0.380 3.580 3.960 0.000 0.000 0.254 85 G C 0.042 174.979 174.900 0.062 0.000 0.982 85 G CA 0.389 45.523 45.100 0.057 0.000 0.632 85 G HN 0.529 nan 8.290 nan 0.000 0.529 86 Y N 2.523 122.776 120.300 -0.079 0.000 2.320 86 Y HA 0.580 5.130 4.550 0.000 0.000 0.334 86 Y C -2.257 173.468 175.900 -0.292 0.000 1.055 86 Y CA -2.510 55.454 58.100 -0.226 0.000 1.143 86 Y CB 1.891 40.120 38.460 -0.384 0.000 1.193 86 Y HN 0.011 nan 8.280 nan 0.000 0.477 87 P HA 0.097 nan 4.420 nan 0.000 0.281 87 P C -1.675 175.225 177.300 -0.667 0.000 1.286 87 P CA 0.362 63.134 63.100 -0.546 0.000 0.772 87 P CB -0.093 31.338 31.700 -0.448 0.000 0.862 88 Y N 1.668 121.745 120.300 -0.371 0.000 2.367 88 Y HA 0.187 4.737 4.550 0.000 0.000 0.342 88 Y C 1.189 176.794 175.900 -0.491 0.000 0.979 88 Y CA -0.324 57.444 58.100 -0.554 0.000 1.161 88 Y CB 0.999 39.111 38.460 -0.580 0.000 1.155 88 Y HN 0.249 nan 8.280 nan 0.000 0.503 89 E N 5.133 125.190 120.200 -0.237 0.000 2.052 89 E HA 0.100 4.450 4.350 0.000 0.000 0.283 89 E C 0.475 177.156 176.600 0.136 0.000 1.071 89 E CA -0.030 56.341 56.400 -0.049 0.000 0.851 89 E CB 0.933 30.619 29.700 -0.022 0.000 1.066 89 E HN 0.791 nan 8.360 nan 0.000 0.396 90 M N 0.900 120.430 119.600 -0.117 0.000 2.447 90 M HA 0.059 4.539 4.480 0.000 0.000 0.264 90 M C 1.172 177.768 176.300 0.493 0.000 1.095 90 M CA 0.688 55.965 55.300 -0.039 0.000 1.125 90 M CB -0.018 31.994 32.600 -0.980 0.000 1.389 90 M HN 0.438 nan 8.290 nan 0.000 0.459 91 G N -0.539 108.509 108.800 0.414 0.000 3.324 91 G HA2 0.460 4.420 3.960 0.000 0.000 0.188 91 G HA3 0.460 4.420 3.960 0.000 0.000 0.188 91 G C -0.245 174.769 174.900 0.191 0.000 1.384 91 G CA -0.055 45.267 45.100 0.369 0.000 0.841 91 G HN 0.341 nan 8.290 nan 0.000 0.758 92 G N -0.219 108.660 108.800 0.130 0.000 2.272 92 G HA2 0.416 4.377 3.960 0.000 0.000 0.247 92 G HA3 0.416 4.377 3.960 0.000 0.000 0.247 92 G C 0.356 175.292 174.900 0.059 0.000 1.272 92 G CA 0.906 46.070 45.100 0.107 0.000 0.921 92 G HN 0.428 nan 8.290 nan 0.000 0.495 93 T N 1.771 116.273 114.554 -0.086 0.000 3.174 93 T HA 0.147 4.497 4.350 0.000 0.000 0.252 93 T C 0.263 174.798 174.700 -0.276 0.000 0.984 93 T CA 0.027 61.929 62.100 -0.330 0.000 1.113 93 T CB 0.296 68.585 68.868 -0.964 0.000 1.088 93 T HN 0.541 nan 8.240 nan 0.000 0.442 94 W N 3.481 124.797 121.300 0.026 0.000 2.438 94 W HA 0.638 5.298 4.660 0.000 0.000 0.324 94 W C -0.205 176.246 176.519 -0.114 0.000 1.119 94 W CA -1.048 56.264 57.345 -0.056 0.000 1.221 94 W CB 0.776 30.191 29.460 -0.076 0.000 1.253 94 W HN 0.049 nan 8.180 nan 0.000 0.555 95 V N -0.397 119.557 119.914 0.066 0.000 3.160 95 V HA 0.655 4.775 4.120 0.000 0.000 0.310 95 V C -1.040 175.012 176.094 -0.071 0.000 1.181 95 V CA -0.752 61.503 62.300 -0.074 0.000 1.047 95 V CB 2.771 34.512 31.823 -0.136 0.000 1.068 95 V HN 0.713 nan 8.190 nan 0.000 0.441 96 H N 0.472 119.355 119.070 -0.312 0.000 3.064 96 H HA 0.255 4.811 4.556 0.000 0.000 0.352 96 H C -0.618 174.327 175.328 -0.639 0.000 1.260 96 H CA -0.029 55.655 56.048 -0.607 0.000 1.160 96 H CB 1.871 31.158 29.762 -0.791 0.000 1.879 96 H HN 0.983 nan 8.280 nan 0.000 0.544 97 W N 1.966 122.539 121.300 -1.212 0.000 2.699 97 W HA 0.097 4.757 4.660 0.000 0.000 0.249 97 W C 0.788 177.077 176.519 -0.384 0.000 1.280 97 W CA 0.266 56.765 57.345 -1.411 0.000 1.345 97 W CB -0.584 27.638 29.460 -2.063 0.000 1.128 97 W HN 0.539 nan 8.180 nan 0.000 0.642 98 H N 0.526 119.518 119.070 -0.131 0.000 2.551 98 H HA 0.106 4.662 4.556 0.000 0.000 0.266 98 H C 0.377 175.657 175.328 -0.080 0.000 0.977 98 H CA 0.117 56.133 56.048 -0.053 0.000 1.163 98 H CB 0.165 29.839 29.762 -0.146 0.000 1.381 98 H HN 0.236 nan 8.280 nan 0.000 0.581 99 Q N 0.742 120.433 119.800 -0.181 0.000 2.421 99 Q HA 0.091 4.431 4.340 0.000 0.000 0.242 99 Q C 0.912 176.901 176.000 -0.018 0.000 1.024 99 Q CA -0.319 55.236 55.803 -0.412 0.000 0.891 99 Q CB 1.920 30.088 28.738 -0.950 0.000 1.222 99 Q HN 0.126 nan 8.270 nan 0.000 0.483 100 S N 3.040 118.795 115.700 0.092 0.000 2.359 100 S HA -0.243 4.227 4.470 0.000 0.000 0.223 100 S C 1.359 175.938 174.600 -0.036 0.000 1.039 100 S CA 1.617 59.811 58.200 -0.010 0.000 1.042 100 S CB -0.002 63.072 63.200 -0.210 0.000 0.915 100 S HN 0.732 nan 8.310 nan 0.000 0.439 101 H N -0.766 118.419 119.070 0.191 0.000 2.399 101 H HA 0.131 4.687 4.556 0.000 0.000 0.300 101 H C 2.466 177.924 175.328 0.216 0.000 1.048 101 H CA 1.236 57.398 56.048 0.189 0.000 1.370 101 H CB -0.945 28.927 29.762 0.182 0.000 1.428 101 H HN 0.380 nan 8.280 nan 0.000 0.534 102 V N 1.468 121.577 119.914 0.325 0.000 2.407 102 V HA -0.208 3.912 4.120 0.000 0.000 0.248 102 V C 2.130 178.403 176.094 0.299 0.000 1.055 102 V CA 1.506 63.994 62.300 0.313 0.000 1.049 102 V CB -0.515 31.406 31.823 0.162 0.000 0.662 102 V HN 0.547 nan 8.190 nan 0.000 0.455 103 W N 0.926 122.272 121.300 0.077 0.000 2.402 103 W HA -0.171 4.489 4.660 0.000 0.000 0.286 103 W C 2.580 179.157 176.519 0.097 0.000 1.221 103 W CA 1.696 59.084 57.345 0.071 0.000 1.257 103 W CB -0.153 29.343 29.460 0.060 0.000 1.120 103 W HN 0.259 nan 8.180 nan 0.000 0.551 104 R N 0.769 121.349 120.500 0.133 0.000 2.122 104 R HA -0.238 4.102 4.340 0.000 0.000 0.236 104 R C 2.035 178.294 176.300 -0.069 0.000 1.129 104 R CA 2.438 58.545 56.100 0.012 0.000 0.925 104 R CB -0.614 29.719 30.300 0.055 0.000 0.850 104 R HN -0.022 nan 8.270 nan 0.000 0.431 105 E N 0.537 120.780 120.200 0.072 0.000 2.130 105 E HA -0.219 4.131 4.350 0.000 0.000 0.196 105 E C 2.128 178.817 176.600 0.148 0.000 0.998 105 E CA 1.407 57.842 56.400 0.059 0.000 0.806 105 E CB -0.338 29.602 29.700 0.400 0.000 0.738 105 E HN 0.525 nan 8.360 nan 0.000 0.459 106 I N 1.338 121.985 120.570 0.130 0.000 2.163 106 I HA -0.291 3.879 4.170 0.000 0.000 0.243 106 I C 2.716 178.699 176.117 -0.222 0.000 1.085 106 I CA 1.916 63.177 61.300 -0.065 0.000 1.347 106 I CB -0.542 37.154 38.000 -0.507 0.000 1.044 106 I HN 0.213 nan 8.210 nan 0.000 0.408 107 T N -1.376 112.914 114.554 -0.440 0.000 2.857 107 T HA -0.198 4.152 4.350 0.000 0.000 0.266 107 T C 2.017 176.647 174.700 -0.116 0.000 1.048 107 T CA 0.894 62.836 62.100 -0.263 0.000 1.139 107 T CB -0.387 68.264 68.868 -0.361 0.000 0.874 107 T HN 0.266 nan 8.240 nan 0.000 0.455 108 R N -0.320 120.064 120.500 -0.193 0.000 2.081 108 R HA -0.065 4.275 4.340 0.000 0.000 0.235 108 R C 1.478 177.637 176.300 -0.234 0.000 1.131 108 R CA 1.269 57.217 56.100 -0.252 0.000 0.960 108 R CB -0.375 29.689 30.300 -0.393 0.000 0.856 108 R HN 0.466 nan 8.270 nan 0.000 0.436 109 Y N 0.896 121.164 120.300 -0.054 0.000 2.502 109 Y HA 0.153 4.703 4.550 0.000 0.000 0.295 109 Y C 0.106 175.994 175.900 -0.021 0.000 1.193 109 Y CA 0.201 58.274 58.100 -0.045 0.000 1.295 109 Y CB -0.092 38.345 38.460 -0.039 0.000 1.059 109 Y HN 0.012 nan 8.280 nan 0.000 0.514 110 K N -0.566 119.899 120.400 0.109 0.000 3.150 110 K HA -0.255 4.065 4.320 0.000 0.000 0.267 110 K C 0.322 176.843 176.600 -0.131 0.000 1.028 110 K CA 0.786 57.104 56.287 0.052 0.000 0.753 110 K CB -1.703 30.827 32.500 0.049 0.000 1.288 110 K HN 0.422 nan 8.250 nan 0.000 0.473 111 M N -0.387 119.154 119.600 -0.098 0.000 2.347 111 M HA 0.045 4.525 4.480 0.000 0.000 0.302 111 M C 1.720 177.889 176.300 -0.217 0.000 1.051 111 M CA -0.212 55.027 55.300 -0.101 0.000 0.988 111 M CB 0.214 32.898 32.600 0.140 0.000 1.475 111 M HN 0.341 nan 8.290 nan 0.000 0.530 112 H N -0.792 118.157 119.070 -0.202 0.000 2.422 112 H HA -0.024 4.532 4.556 0.000 0.000 0.298 112 H C 0.458 175.770 175.328 -0.026 0.000 1.098 112 H CA 1.080 56.987 56.048 -0.235 0.000 1.315 112 H CB -0.506 29.127 29.762 -0.216 0.000 1.382 112 H HN 0.320 nan 8.280 nan 0.000 0.523 113 N N 0.729 119.202 118.700 -0.378 0.000 2.276 113 N HA 0.215 4.955 4.740 0.000 0.000 0.212 113 N C 0.492 175.942 175.510 -0.100 0.000 1.127 113 N CA 0.607 53.562 53.050 -0.158 0.000 0.834 113 N CB 0.788 39.178 38.487 -0.161 0.000 1.014 113 N HN 0.487 nan 8.380 nan 0.000 0.491 114 A N 0.398 123.175 122.820 -0.072 0.000 2.708 114 A HA 0.385 4.705 4.320 0.000 0.000 0.293 114 A C 0.150 177.763 177.584 0.048 0.000 1.303 114 A CA -0.271 51.770 52.037 0.007 0.000 0.949 114 A CB -0.166 18.863 19.000 0.048 0.000 1.121 114 A HN 0.097 nan 8.150 nan 0.000 0.542 115 L N -0.464 120.763 121.223 0.006 0.000 2.322 115 L HA 0.633 4.973 4.340 0.000 0.000 0.269 115 L C -0.031 176.862 176.870 0.039 0.000 1.012 115 L CA -0.602 54.238 54.840 -0.001 0.000 0.815 115 L CB 2.095 44.139 42.059 -0.026 0.000 1.295 115 L HN 0.100 nan 8.230 nan 0.000 0.438 116 S N 0.838 116.590 115.700 0.087 0.000 2.526 116 S HA 0.533 5.003 4.470 0.000 0.000 0.293 116 S C -2.641 172.094 174.600 0.225 0.000 1.092 116 S CA -1.132 57.141 58.200 0.121 0.000 0.980 116 S CB 2.094 65.353 63.200 0.098 0.000 1.048 116 S HN 0.358 nan 8.310 nan 0.000 0.483 117 P HA 0.285 nan 4.420 nan 0.000 0.276 117 P C 0.170 177.542 177.300 0.120 0.000 1.235 117 P CA -0.135 63.127 63.100 0.270 0.000 0.772 117 P CB 0.950 32.788 31.700 0.229 0.000 0.871 118 S N 1.951 117.677 115.700 0.042 0.000 2.368 118 S HA 0.007 4.477 4.470 0.000 0.000 0.224 118 S C 0.601 175.023 174.600 -0.296 0.000 1.029 118 S CA 0.909 59.054 58.200 -0.092 0.000 0.988 118 S CB -0.536 62.565 63.200 -0.167 0.000 0.838 118 S HN 0.396 nan 8.310 nan 0.000 0.462 119 F N 2.422 122.265 119.950 -0.178 0.000 2.412 119 F HA 0.479 5.006 4.527 0.000 0.000 0.348 119 F C 0.582 176.121 175.800 -0.435 0.000 1.102 119 F CA -0.711 57.035 58.000 -0.424 0.000 1.196 119 F CB 0.472 39.051 39.000 -0.702 0.000 1.144 119 F HN -0.012 nan 8.300 nan 0.000 0.541 120 N N 3.100 121.632 118.700 -0.280 0.000 2.599 120 N HA 0.203 4.943 4.740 0.000 0.000 0.283 120 N C -1.242 174.318 175.510 0.083 0.000 1.160 120 N CA -0.362 52.617 53.050 -0.117 0.000 0.869 120 N CB 0.344 38.846 38.487 0.024 0.000 1.448 120 N HN 0.267 nan 8.380 nan 0.000 0.535 121 F N 1.031 121.032 119.950 0.085 0.000 2.708 121 F HA 0.221 4.748 4.527 0.000 0.000 0.300 121 F C 1.984 177.839 175.800 0.091 0.000 1.118 121 F CA -0.408 57.644 58.000 0.087 0.000 1.307 121 F CB -0.219 38.813 39.000 0.053 0.000 0.986 121 F HN 0.494 nan 8.300 nan 0.000 0.522 122 S N 0.450 116.291 115.700 0.234 0.000 2.558 122 S HA 0.182 4.652 4.470 0.000 0.000 0.217 122 S C 0.664 175.344 174.600 0.132 0.000 0.975 122 S CA -0.249 58.046 58.200 0.157 0.000 0.912 122 S CB -0.002 63.263 63.200 0.110 0.000 0.776 122 S HN 0.492 nan 8.310 nan 0.000 0.526 123 R N -1.574 119.014 120.500 0.147 0.000 2.733 123 R HA 0.688 5.028 4.340 0.000 0.000 0.272 123 R C 0.298 176.668 176.300 0.117 0.000 1.029 123 R CA -0.605 55.562 56.100 0.111 0.000 0.888 123 R CB 0.089 30.442 30.300 0.088 0.000 1.251 123 R HN 0.503 nan 8.270 nan 0.000 0.464 124 G N -0.197 108.652 108.800 0.081 0.000 2.632 124 G HA2 -0.242 3.718 3.960 0.000 0.000 0.224 124 G HA3 -0.242 3.718 3.960 0.000 0.000 0.224 124 G C 0.676 175.595 174.900 0.032 0.000 1.341 124 G CA 0.220 45.359 45.100 0.065 0.000 0.880 124 G HN 1.438 nan 8.290 nan 0.000 0.566 125 V N -2.027 117.875 119.914 -0.021 0.000 2.490 125 V HA -0.007 4.113 4.120 0.000 0.000 0.250 125 V C 1.642 177.599 176.094 -0.228 0.000 1.061 125 V CA 2.491 64.679 62.300 -0.188 0.000 1.064 125 V CB -1.191 30.383 31.823 -0.414 0.000 0.670 125 V HN 2.600 nan 8.190 nan 0.000 0.461 126 N N 1.304 119.967 118.700 -0.062 0.000 2.727 126 N HA -0.213 4.528 4.740 0.000 0.000 0.249 126 N C -0.240 175.176 175.510 -0.157 0.000 1.048 126 N CA 1.341 54.404 53.050 0.022 0.000 0.714 126 N CB -1.748 36.774 38.487 0.058 0.000 0.959 126 N HN 1.169 nan 8.380 nan 0.000 0.544 127 H N -2.540 116.439 119.070 -0.151 0.000 2.977 127 H HA 0.677 5.233 4.556 0.000 0.000 0.350 127 H C -1.338 173.739 175.328 -0.418 0.000 1.238 127 H CA -1.197 54.610 56.048 -0.402 0.000 1.124 127 H CB 0.131 29.854 29.762 -0.066 0.000 1.866 127 H HN -0.005 nan 8.280 nan 0.000 0.550 128 F N 1.340 121.110 119.950 -0.300 0.000 2.436 128 F HA 0.424 4.951 4.527 0.000 0.000 0.340 128 F C -0.533 175.135 175.800 -0.220 0.000 1.113 128 F CA -0.713 57.118 58.000 -0.280 0.000 1.022 128 F CB 1.900 40.736 39.000 -0.273 0.000 1.128 128 F HN 0.762 nan 8.300 nan 0.000 0.466 129 Q N 6.956 126.242 119.800 -0.857 0.000 2.357 129 Q HA 0.480 4.820 4.340 0.000 0.000 0.266 129 Q C -2.066 173.341 176.000 -0.990 0.000 1.021 129 Q CA -0.984 54.349 55.803 -0.783 0.000 0.784 129 Q CB 1.405 30.051 28.738 -0.152 0.000 1.243 129 Q HN 0.789 nan 8.270 nan 0.000 0.465 130 L N 4.752 125.402 121.223 -0.955 0.000 2.272 130 L HA 0.501 4.841 4.340 0.000 0.000 0.289 130 L C -1.163 175.532 176.870 -0.291 0.000 1.032 130 L CA -0.022 54.446 54.840 -0.619 0.000 0.810 130 L CB 1.042 42.792 42.059 -0.515 0.000 1.205 130 L HN 0.599 nan 8.230 nan 0.000 0.422 131 R N 3.077 123.525 120.500 -0.087 0.000 2.360 131 R HA 0.374 4.714 4.340 0.000 0.000 0.318 131 R C 0.345 176.803 176.300 0.265 0.000 0.950 131 R CA 0.174 56.332 56.100 0.097 0.000 0.837 131 R CB 1.175 31.630 30.300 0.258 0.000 1.165 131 R HN 0.769 nan 8.270 nan 0.000 0.458 132 T N -1.494 113.157 114.554 0.162 0.000 3.023 132 T HA 0.061 4.411 4.350 0.000 0.000 0.253 132 T C 0.312 175.104 174.700 0.153 0.000 1.038 132 T CA -0.097 62.114 62.100 0.184 0.000 0.962 132 T CB -0.238 68.681 68.868 0.085 0.000 1.018 132 T HN 0.662 nan 8.240 nan 0.000 0.521 133 N N -0.766 117.909 118.700 -0.041 0.000 2.927 133 N HA 0.441 5.181 4.740 0.000 0.000 0.248 133 N C -3.056 171.838 175.510 -1.027 0.000 1.443 133 N CA -1.909 50.893 53.050 -0.414 0.000 0.870 133 N CB 0.774 39.127 38.487 -0.225 0.000 1.444 133 N HN -0.319 nan 8.380 nan 0.000 0.519 134 P HA -0.048 nan 4.420 nan 0.000 0.223 134 P C 0.438 177.455 177.300 -0.471 0.000 1.144 134 P CA 1.341 63.816 63.100 -1.042 0.000 0.783 134 P CB 0.222 31.579 31.700 -0.571 0.000 0.771 135 T N -2.426 111.920 114.554 -0.347 0.000 3.023 135 T HA 0.085 4.435 4.350 0.000 0.000 0.249 135 T C 0.714 175.335 174.700 -0.131 0.000 1.050 135 T CA 0.747 62.734 62.100 -0.187 0.000 1.088 135 T CB -0.031 68.747 68.868 -0.150 0.000 0.946 135 T HN 0.126 nan 8.240 nan 0.000 0.480 136 T N 0.905 115.375 114.554 -0.140 0.000 2.952 136 T HA 0.697 5.047 4.350 0.000 0.000 0.286 136 T C -0.573 174.062 174.700 -0.109 0.000 1.024 136 T CA -0.679 61.361 62.100 -0.099 0.000 1.029 136 T CB 1.880 70.694 68.868 -0.091 0.000 1.094 136 T HN -0.110 nan 8.240 nan 0.000 0.515 137 S N 0.470 116.085 115.700 -0.142 0.000 2.575 137 S HA 0.615 5.085 4.470 0.000 0.000 0.278 137 S C -0.819 173.550 174.600 -0.384 0.000 1.139 137 S CA -0.716 57.293 58.200 -0.318 0.000 0.954 137 S CB 1.650 64.608 63.200 -0.404 0.000 1.054 137 S HN 0.736 nan 8.310 nan 0.000 0.483 138 T N 3.658 117.932 114.554 -0.467 0.000 2.791 138 T HA 0.499 4.849 4.350 0.000 0.000 0.288 138 T C -1.219 173.161 174.700 -0.533 0.000 0.999 138 T CA -0.245 61.643 62.100 -0.354 0.000 0.952 138 T CB 0.211 68.956 68.868 -0.206 0.000 0.938 138 T HN 0.416 nan 8.240 nan 0.000 0.444 139 Y N 3.636 123.807 120.300 -0.215 0.000 2.361 139 Y HA 0.744 5.294 4.550 0.000 0.000 0.332 139 Y C 0.513 176.302 175.900 -0.185 0.000 1.101 139 Y CA -1.168 56.750 58.100 -0.304 0.000 1.137 139 Y CB 1.296 39.528 38.460 -0.380 0.000 1.207 139 Y HN 0.586 nan 8.280 nan 0.000 0.463 140 M N -0.205 119.393 119.600 -0.004 0.000 2.732 140 M HA 0.500 4.980 4.480 0.000 0.000 0.272 140 M C -0.948 175.345 176.300 -0.012 0.000 1.203 140 M CA -1.038 54.276 55.300 0.023 0.000 0.841 140 M CB 1.937 34.569 32.600 0.053 0.000 1.685 140 M HN 0.567 nan 8.290 nan 0.000 0.492 141 T N -2.045 112.486 114.554 -0.038 0.000 2.856 141 T HA 0.217 4.567 4.350 0.000 0.000 0.306 141 T C 0.809 175.408 174.700 -0.168 0.000 1.062 141 T CA 0.056 62.089 62.100 -0.113 0.000 1.083 141 T CB 0.235 69.073 68.868 -0.051 0.000 0.984 141 T HN 0.739 nan 8.240 nan 0.000 0.542 142 H N 1.152 120.127 119.070 -0.158 0.000 2.456 142 H HA -0.046 4.510 4.556 0.000 0.000 0.296 142 H C 2.003 177.236 175.328 -0.158 0.000 1.079 142 H CA 1.825 57.718 56.048 -0.259 0.000 1.322 142 H CB -0.042 29.365 29.762 -0.592 0.000 1.388 142 H HN 0.763 nan 8.280 nan 0.000 0.538 143 E N 0.753 120.954 120.200 0.002 0.000 2.110 143 E HA -0.083 4.267 4.350 0.000 0.000 0.193 143 E C 2.396 178.978 176.600 -0.030 0.000 0.988 143 E CA 1.111 57.509 56.400 -0.003 0.000 0.804 143 E CB -0.132 29.571 29.700 0.004 0.000 0.745 143 E HN 0.429 nan 8.360 nan 0.000 0.458 144 A N 0.771 123.567 122.820 -0.039 0.000 1.930 144 A HA -0.148 4.172 4.320 0.000 0.000 0.215 144 A C 2.134 179.671 177.584 -0.079 0.000 1.176 144 A CA 1.262 53.273 52.037 -0.042 0.000 0.632 144 A CB -0.368 18.621 19.000 -0.017 0.000 0.819 144 A HN 0.272 nan 8.150 nan 0.000 0.445 145 E N 0.222 120.349 120.200 -0.122 0.000 2.085 145 E HA -0.271 4.079 4.350 0.000 0.000 0.194 145 E C 1.129 177.537 176.600 -0.320 0.000 0.994 145 E CA 1.601 57.803 56.400 -0.330 0.000 0.801 145 E CB -0.189 29.160 29.700 -0.586 0.000 0.743 145 E HN 0.514 nan 8.360 nan 0.000 0.453 146 D N 0.422 120.718 120.400 -0.174 0.000 2.097 146 D HA -0.192 4.448 4.640 0.000 0.000 0.195 146 D C 1.918 178.103 176.300 -0.192 0.000 0.989 146 D CA 1.413 55.358 54.000 -0.091 0.000 0.827 146 D CB -0.414 40.416 40.800 0.051 0.000 0.966 146 D HN 0.225 nan 8.370 nan 0.000 0.456 147 E N 0.463 120.588 120.200 -0.125 0.000 2.118 147 E HA -0.154 4.196 4.350 0.000 0.000 0.195 147 E C 1.982 178.487 176.600 -0.158 0.000 0.992 147 E CA 0.508 56.841 56.400 -0.111 0.000 0.804 147 E CB -0.434 29.226 29.700 -0.067 0.000 0.741 147 E HN 0.152 nan 8.360 nan 0.000 0.458 148 L N -0.322 120.792 121.223 -0.182 0.000 1.994 148 L HA -0.114 4.226 4.340 0.000 0.000 0.208 148 L C 2.191 178.897 176.870 -0.274 0.000 1.071 148 L CA 1.631 56.363 54.840 -0.181 0.000 0.745 148 L CB -0.548 41.428 42.059 -0.138 0.000 0.892 148 L HN 0.242 nan 8.230 nan 0.000 0.431 149 L N -0.779 120.167 121.223 -0.463 0.000 2.056 149 L HA -0.152 4.188 4.340 0.000 0.000 0.207 149 L C 2.724 179.213 176.870 -0.635 0.000 1.078 149 L CA 1.501 55.936 54.840 -0.675 0.000 0.749 149 L CB -0.740 40.643 42.059 -1.128 0.000 0.901 149 L HN 0.254 nan 8.230 nan 0.000 0.433 150 R N -0.607 119.536 120.500 -0.595 0.000 2.096 150 R HA -0.230 4.110 4.340 0.000 0.000 0.240 150 R C 2.515 178.774 176.300 -0.067 0.000 1.139 150 R CA 2.042 58.018 56.100 -0.206 0.000 0.952 150 R CB -0.475 29.785 30.300 -0.066 0.000 0.854 150 R HN 0.351 nan 8.270 nan 0.000 0.436 151 S N -0.410 115.227 115.700 -0.103 0.000 2.356 151 S HA -0.122 4.348 4.470 0.000 0.000 0.223 151 S C 1.975 176.574 174.600 -0.002 0.000 1.032 151 S CA 1.389 59.569 58.200 -0.033 0.000 1.005 151 S CB -0.216 62.951 63.200 -0.055 0.000 0.867 151 S HN 0.553 nan 8.310 nan 0.000 0.449 152 A N 0.910 123.679 122.820 -0.086 0.000 1.929 152 A HA 0.162 4.482 4.320 0.000 0.000 0.216 152 A C 2.183 179.727 177.584 -0.068 0.000 1.176 152 A CA 1.129 53.111 52.037 -0.093 0.000 0.628 152 A CB -0.676 18.223 19.000 -0.169 0.000 0.816 152 A HN 0.561 nan 8.150 nan 0.000 0.444 153 L N -1.420 119.751 121.223 -0.088 0.000 2.217 153 L HA -0.140 4.200 4.340 0.000 0.000 0.211 153 L C 2.504 179.361 176.870 -0.022 0.000 1.107 153 L CA 1.389 56.197 54.840 -0.054 0.000 0.783 153 L CB -0.479 41.571 42.059 -0.015 0.000 0.919 153 L HN 0.666 nan 8.230 nan 0.000 0.442 154 H N 0.514 119.589 119.070 0.007 0.000 2.353 154 H HA -0.155 4.401 4.556 0.000 0.000 0.300 154 H C 2.175 177.513 175.328 0.016 0.000 1.090 154 H CA 1.785 57.865 56.048 0.053 0.000 1.327 154 H CB 0.207 30.012 29.762 0.071 0.000 1.383 154 H HN 0.106 nan 8.280 nan 0.000 0.508 155 K N -0.891 119.462 120.400 -0.077 0.000 2.103 155 K HA -0.062 4.259 4.320 0.000 0.000 0.204 155 K C 1.945 178.492 176.600 -0.089 0.000 1.052 155 K CA 1.033 57.249 56.287 -0.117 0.000 0.945 155 K CB -0.185 32.307 32.500 -0.012 0.000 0.722 155 K HN 0.186 nan 8.250 nan 0.000 0.443 156 F N 1.962 121.789 119.950 -0.204 0.000 2.102 156 F HA -0.211 4.316 4.527 0.000 0.000 0.298 156 F C 2.321 178.053 175.800 -0.114 0.000 1.105 156 F CA 1.925 59.806 58.000 -0.198 0.000 1.239 156 F CB -0.612 38.241 39.000 -0.245 0.000 0.991 156 F HN 0.044 nan 8.300 nan 0.000 0.474 157 T N -2.512 111.906 114.554 -0.226 0.000 3.088 157 T HA -0.010 4.340 4.350 0.000 0.000 0.259 157 T C 1.131 175.708 174.700 -0.205 0.000 1.122 157 T CA 0.402 62.304 62.100 -0.331 0.000 1.095 157 T CB -0.697 67.709 68.868 -0.771 0.000 0.930 157 T HN 0.111 nan 8.240 nan 0.000 0.508 158 N N 2.402 120.965 118.700 -0.228 0.000 3.254 158 N HA 0.126 4.866 4.740 0.000 0.000 0.308 158 N C 1.248 176.677 175.510 -0.136 0.000 1.281 158 N CA -0.109 52.822 53.050 -0.199 0.000 1.212 158 N CB 0.204 38.465 38.487 -0.376 0.000 1.478 158 N HN 0.452 nan 8.380 nan 0.000 0.548 159 V N -1.813 118.022 119.914 -0.132 0.000 3.129 159 V HA 0.088 4.208 4.120 0.000 0.000 0.259 159 V C 0.595 176.673 176.094 -0.026 0.000 1.116 159 V CA 1.307 63.533 62.300 -0.124 0.000 1.127 159 V CB -0.214 31.369 31.823 -0.399 0.000 0.742 159 V HN 0.370 nan 8.190 nan 0.000 0.474 160 D N -1.201 119.188 120.400 -0.019 0.000 2.582 160 D HA 0.319 4.959 4.640 0.000 0.000 0.246 160 D C 1.467 177.783 176.300 0.027 0.000 1.334 160 D CA 0.284 54.304 54.000 0.034 0.000 0.805 160 D CB 0.269 41.101 40.800 0.052 0.000 1.087 160 D HN 0.705 nan 8.370 nan 0.000 0.499 161 G N 0.786 109.593 108.800 0.011 0.000 2.234 161 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 161 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 161 G C 0.911 175.831 174.900 0.034 0.000 0.987 161 G CA 0.947 46.060 45.100 0.022 0.000 0.625 161 G HN 0.917 nan 8.290 nan 0.000 0.532 162 T N -2.772 111.798 114.554 0.027 0.000 3.337 162 T HA 0.391 4.741 4.350 0.000 0.000 0.299 162 T C 0.676 175.421 174.700 0.074 0.000 0.998 162 T CA 0.697 62.814 62.100 0.029 0.000 0.948 162 T CB -0.125 68.723 68.868 -0.034 0.000 1.170 162 T HN 0.774 nan 8.240 nan 0.000 0.508 163 N N 1.323 120.092 118.700 0.114 0.000 2.747 163 N HA -0.204 4.536 4.740 0.000 0.000 0.249 163 N C 1.126 176.867 175.510 0.385 0.000 1.107 163 N CA 1.277 54.484 53.050 0.261 0.000 0.707 163 N CB -1.673 37.123 38.487 0.514 0.000 1.054 163 N HN 1.201 nan 8.380 nan 0.000 0.555 164 G N -0.637 108.273 108.800 0.185 0.000 2.195 164 G HA2 -0.348 3.612 3.960 0.000 0.000 0.224 164 G HA3 -0.348 3.612 3.960 0.000 0.000 0.224 164 G C 0.951 175.956 174.900 0.175 0.000 0.990 164 G CA 0.472 45.712 45.100 0.234 0.000 0.639 164 G HN 0.489 nan 8.290 nan 0.000 0.514 165 R N 0.139 120.566 120.500 -0.121 0.000 2.189 165 R HA 0.045 4.385 4.340 0.000 0.000 0.223 165 R C 2.442 178.639 176.300 -0.171 0.000 1.092 165 R CA 1.747 57.596 56.100 -0.420 0.000 0.989 165 R CB -0.259 29.680 30.300 -0.601 0.000 0.876 165 R HN 0.458 nan 8.270 nan 0.000 0.457 166 T N 0.189 114.714 114.554 -0.049 0.000 2.901 166 T HA -0.041 4.309 4.350 0.000 0.000 0.252 166 T C 2.012 176.768 174.700 0.094 0.000 1.035 166 T CA 1.144 63.252 62.100 0.014 0.000 1.142 166 T CB -0.032 68.856 68.868 0.033 0.000 0.869 166 T HN 0.179 nan 8.240 nan 0.000 0.442 167 V N -0.622 119.377 119.914 0.142 0.000 2.667 167 V HA 0.223 4.343 4.120 0.000 0.000 0.252 167 V C 1.104 177.330 176.094 0.219 0.000 1.065 167 V CA 0.938 63.389 62.300 0.252 0.000 1.083 167 V CB -0.518 31.532 31.823 0.379 0.000 0.692 167 V HN 0.301 nan 8.190 nan 0.000 0.468 168 L N 1.824 123.117 121.223 0.116 0.000 2.725 168 L HA 0.519 4.859 4.340 0.000 0.000 0.270 168 L C -1.567 175.304 176.870 0.000 0.000 1.422 168 L CA -1.334 53.490 54.840 -0.026 0.000 0.770 168 L CB 1.267 43.221 42.059 -0.174 0.000 1.081 168 L HN 0.009 nan 8.230 nan 0.000 0.527 169 P HA -0.078 nan 4.420 nan 0.000 0.219 169 P C 0.105 177.108 177.300 -0.494 0.000 1.150 169 P CA 1.070 63.980 63.100 -0.317 0.000 0.814 169 P CB 0.089 31.513 31.700 -0.459 0.000 0.787 170 F N 1.096 120.947 119.950 -0.165 0.000 2.363 170 F HA 0.355 4.882 4.527 0.000 0.000 0.366 170 F C -1.416 174.281 175.800 -0.172 0.000 1.083 170 F CA -2.627 55.258 58.000 -0.192 0.000 1.176 170 F CB 0.974 39.765 39.000 -0.348 0.000 1.432 170 F HN -0.116 nan 8.300 nan 0.000 0.482 171 P HA -0.191 nan 4.420 nan 0.000 0.219 171 P C 1.061 178.241 177.300 -0.200 0.000 1.146 171 P CA 1.623 64.523 63.100 -0.334 0.000 0.808 171 P CB 0.075 31.329 31.700 -0.742 0.000 0.779 172 H N -1.169 117.861 119.070 -0.066 0.000 2.518 172 H HA 0.001 4.557 4.556 0.000 0.000 0.289 172 H C 0.376 175.702 175.328 -0.005 0.000 1.051 172 H CA 1.187 57.230 56.048 -0.007 0.000 1.280 172 H CB -0.320 29.437 29.762 -0.009 0.000 1.380 172 H HN 0.124 nan 8.280 nan 0.000 0.566 173 D N -0.062 120.386 120.400 0.080 0.000 2.378 173 D HA 0.037 4.677 4.640 0.000 0.000 0.265 173 D C 1.204 177.504 176.300 -0.000 0.000 1.229 173 D CA -0.356 53.679 54.000 0.058 0.000 0.914 173 D CB 0.192 41.062 40.800 0.116 0.000 1.140 173 D HN 0.241 nan 8.370 nan 0.000 0.516 174 M N 0.391 119.880 119.600 -0.186 0.000 2.358 174 M HA -0.010 4.470 4.480 0.000 0.000 0.264 174 M C -0.005 176.220 176.300 -0.125 0.000 1.064 174 M CA 1.349 56.447 55.300 -0.336 0.000 1.093 174 M CB -0.245 32.096 32.600 -0.432 0.000 1.401 174 M HN 0.057 nan 8.290 nan 0.000 0.440 175 F N -0.780 119.278 119.950 0.180 0.000 2.732 175 F HA 0.190 4.717 4.527 0.000 0.000 0.303 175 F C 1.780 177.696 175.800 0.193 0.000 1.110 175 F CA -0.726 57.388 58.000 0.190 0.000 1.355 175 F CB -1.235 37.848 39.000 0.138 0.000 1.081 175 F HN 0.124 nan 8.300 nan 0.000 0.565 176 Y N 0.549 120.987 120.300 0.231 0.000 2.114 176 Y HA -0.153 4.397 4.550 0.000 0.000 0.282 176 Y C 0.793 176.812 175.900 0.199 0.000 1.165 176 Y CA 1.210 59.428 58.100 0.197 0.000 1.148 176 Y CB 0.034 38.627 38.460 0.221 0.000 0.972 176 Y HN -0.251 nan 8.280 nan 0.000 0.504 177 V N 2.027 122.155 119.914 0.357 0.000 2.334 177 V HA 0.166 4.286 4.120 0.000 0.000 0.281 177 V C -1.639 174.635 176.094 0.300 0.000 1.016 177 V CA -1.460 61.001 62.300 0.268 0.000 0.832 177 V CB 1.229 33.225 31.823 0.289 0.000 0.999 177 V HN 0.053 nan 8.190 nan 0.000 0.439 178 P HA -0.153 nan 4.420 nan 0.000 0.216 178 P C 1.353 178.792 177.300 0.232 0.000 1.150 178 P CA 1.013 64.242 63.100 0.215 0.000 0.843 178 P CB 0.405 32.169 31.700 0.107 0.000 0.787 179 E N -1.933 118.396 120.200 0.216 0.000 2.333 179 E HA -0.195 4.155 4.350 0.000 0.000 0.200 179 E C 1.525 178.293 176.600 0.280 0.000 1.010 179 E CA 0.710 57.232 56.400 0.203 0.000 0.841 179 E CB -0.974 28.861 29.700 0.225 0.000 0.757 179 E HN 0.285 nan 8.360 nan 0.000 0.508 180 F N 0.806 120.908 119.950 0.253 0.000 2.234 180 F HA -0.089 4.438 4.527 0.000 0.000 0.299 180 F C 2.219 178.168 175.800 0.248 0.000 1.087 180 F CA 1.235 59.424 58.000 0.315 0.000 1.340 180 F CB 0.047 39.201 39.000 0.256 0.000 1.031 180 F HN -0.145 nan 8.300 nan 0.000 0.500 181 R N 1.045 121.655 120.500 0.183 0.000 2.103 181 R HA -0.260 4.080 4.340 0.000 0.000 0.242 181 R C 2.185 178.419 176.300 -0.110 0.000 1.142 181 R CA 2.198 58.355 56.100 0.094 0.000 0.960 181 R CB -0.285 30.148 30.300 0.221 0.000 0.858 181 R HN 0.429 nan 8.270 nan 0.000 0.439 182 K N -1.266 119.021 120.400 -0.189 0.000 2.209 182 K HA -0.156 4.164 4.320 0.000 0.000 0.204 182 K C 1.515 177.892 176.600 -0.371 0.000 1.048 182 K CA 1.628 57.740 56.287 -0.291 0.000 0.940 182 K CB -0.421 31.861 32.500 -0.365 0.000 0.729 182 K HN 0.214 nan 8.250 nan 0.000 0.451 183 Y N 1.536 121.720 120.300 -0.192 0.000 2.243 183 Y HA -0.056 4.494 4.550 0.000 0.000 0.293 183 Y C 2.040 177.798 175.900 -0.236 0.000 1.124 183 Y CA 1.127 59.138 58.100 -0.149 0.000 1.159 183 Y CB -0.809 37.523 38.460 -0.213 0.000 1.008 183 Y HN 0.229 nan 8.280 nan 0.000 0.527 184 D N 0.426 120.576 120.400 -0.415 0.000 2.158 184 D HA -0.195 4.445 4.640 0.000 0.000 0.197 184 D C 1.394 177.684 176.300 -0.017 0.000 0.995 184 D CA 1.550 55.437 54.000 -0.187 0.000 0.846 184 D CB -0.031 40.698 40.800 -0.118 0.000 0.941 184 D HN 0.433 nan 8.370 nan 0.000 0.456 185 E N -0.869 119.313 120.200 -0.030 0.000 2.481 185 E HA 0.016 4.366 4.350 0.000 0.000 0.195 185 E C 0.537 177.156 176.600 0.031 0.000 1.047 185 E CA -0.223 56.181 56.400 0.006 0.000 0.867 185 E CB 0.140 29.831 29.700 -0.015 0.000 0.858 185 E HN 0.411 nan 8.360 nan 0.000 0.513 186 M N 1.235 120.883 119.600 0.081 0.000 2.342 186 M HA 0.140 4.620 4.480 0.000 0.000 0.332 186 M C 0.004 176.417 176.300 0.189 0.000 1.166 186 M CA -0.365 55.009 55.300 0.124 0.000 1.086 186 M CB 1.089 33.800 32.600 0.185 0.000 1.541 186 M HN -0.107 nan 8.290 nan 0.000 0.462 187 S N 2.642 118.430 115.700 0.147 0.000 2.687 187 S HA 0.290 4.760 4.470 0.000 0.000 0.283 187 S C 0.730 175.513 174.600 0.305 0.000 1.170 187 S CA -0.724 57.584 58.200 0.180 0.000 1.008 187 S CB 0.639 63.895 63.200 0.094 0.000 1.026 187 S HN 0.736 nan 8.310 nan 0.000 0.541 188 Y N 1.506 121.927 120.300 0.202 0.000 2.069 188 Y HA -0.168 4.382 4.550 0.000 0.000 0.278 188 Y C 3.167 179.128 175.900 0.103 0.000 1.175 188 Y CA 1.329 59.562 58.100 0.220 0.000 1.134 188 Y CB -1.427 37.117 38.460 0.139 0.000 0.965 188 Y HN 0.850 nan 8.280 nan 0.000 0.498 189 S N -0.345 115.503 115.700 0.247 0.000 2.372 189 S HA -0.262 4.208 4.470 0.000 0.000 0.227 189 S C 1.952 176.590 174.600 0.064 0.000 1.044 189 S CA 1.961 60.235 58.200 0.122 0.000 1.050 189 S CB -0.231 63.021 63.200 0.088 0.000 0.901 189 S HN 0.603 nan 8.310 nan 0.000 0.447 190 E N -0.200 120.029 120.200 0.048 0.000 2.152 190 E HA -0.094 4.256 4.350 0.000 0.000 0.192 190 E C 2.333 178.894 176.600 -0.066 0.000 0.983 190 E CA 0.824 57.222 56.400 -0.004 0.000 0.818 190 E CB -0.095 29.604 29.700 -0.002 0.000 0.758 190 E HN 0.221 nan 8.360 nan 0.000 0.467 191 R N 1.213 121.633 120.500 -0.132 0.000 2.075 191 R HA -0.043 4.297 4.340 0.000 0.000 0.232 191 R C 1.913 178.132 176.300 -0.135 0.000 1.126 191 R CA 1.224 57.123 56.100 -0.335 0.000 0.963 191 R CB -0.579 29.177 30.300 -0.908 0.000 0.858 191 R HN 0.160 nan 8.270 nan 0.000 0.435 192 I N 0.793 121.369 120.570 0.011 0.000 2.286 192 I HA -0.264 3.907 4.170 0.000 0.000 0.248 192 I C 1.440 177.551 176.117 -0.010 0.000 1.115 192 I CA 1.499 62.813 61.300 0.024 0.000 1.392 192 I CB -0.282 37.727 38.000 0.015 0.000 1.065 192 I HN 0.189 nan 8.210 nan 0.000 0.418 193 D N 0.403 120.795 120.400 -0.014 0.000 2.182 193 D HA -0.211 4.429 4.640 0.000 0.000 0.201 193 D C 2.135 178.419 176.300 -0.028 0.000 0.986 193 D CA 1.165 55.156 54.000 -0.016 0.000 0.847 193 D CB -0.163 40.630 40.800 -0.012 0.000 0.942 193 D HN 0.449 nan 8.370 nan 0.000 0.467 194 Q N -0.464 119.307 119.800 -0.048 0.000 2.369 194 Q HA -0.018 4.322 4.340 0.000 0.000 0.206 194 Q C 1.843 177.816 176.000 -0.045 0.000 0.963 194 Q CA 0.639 56.410 55.803 -0.053 0.000 0.894 194 Q CB 0.290 28.979 28.738 -0.082 0.000 0.965 194 Q HN 0.505 nan 8.270 nan 0.000 0.475 195 I N -5.314 115.233 120.570 -0.039 0.000 4.541 195 I HA 0.197 4.367 4.170 0.000 0.000 0.337 195 I C 1.660 177.766 176.117 -0.018 0.000 1.338 195 I CA -0.427 60.855 61.300 -0.029 0.000 1.244 195 I CB 0.169 38.151 38.000 -0.031 0.000 1.417 195 I HN -0.157 nan 8.210 nan 0.000 0.501 196 R N 1.957 122.448 120.500 -0.016 0.000 2.113 196 R HA -0.204 4.136 4.340 0.000 0.000 0.244 196 R C 1.293 177.586 176.300 -0.010 0.000 1.142 196 R CA 2.677 58.770 56.100 -0.013 0.000 0.953 196 R CB -0.227 30.068 30.300 -0.009 0.000 0.860 196 R HN 0.428 nan 8.270 nan 0.000 0.438 197 D N 0.001 120.396 120.400 -0.009 0.000 2.263 197 D HA -0.121 4.519 4.640 0.000 0.000 0.208 197 D C 1.402 177.698 176.300 -0.006 0.000 0.971 197 D CA 0.918 54.913 54.000 -0.007 0.000 0.867 197 D CB 0.005 40.801 40.800 -0.007 0.000 0.929 197 D HN 0.266 nan 8.370 nan 0.000 0.492 198 E N -0.260 119.936 120.200 -0.007 0.000 2.447 198 E HA 0.114 4.464 4.350 0.000 0.000 0.195 198 E C 0.540 177.135 176.600 -0.008 0.000 1.028 198 E CA 0.011 56.408 56.400 -0.005 0.000 0.876 198 E CB 0.625 30.323 29.700 -0.003 0.000 0.885 198 E HN 0.320 nan 8.360 nan 0.000 0.500 199 L N 1.855 123.070 121.223 -0.013 0.000 2.295 199 L HA 0.211 4.551 4.340 0.000 0.000 0.285 199 L C 0.753 177.614 176.870 -0.016 0.000 1.035 199 L CA -0.682 54.146 54.840 -0.020 0.000 0.806 199 L CB 1.452 43.492 42.059 -0.032 0.000 1.214 199 L HN -0.100 nan 8.230 nan 0.000 0.426 200 S N 2.066 117.756 115.700 -0.016 0.000 2.608 200 S HA 0.118 4.588 4.470 0.000 0.000 0.261 200 S C 0.916 175.510 174.600 -0.009 0.000 1.314 200 S CA -0.646 57.547 58.200 -0.012 0.000 0.992 200 S CB 1.037 64.230 63.200 -0.013 0.000 0.935 200 S HN 0.594 nan 8.310 nan 0.000 0.564 201 L N 1.375 122.597 121.223 -0.001 0.000 2.042 201 L HA -0.115 4.225 4.340 0.000 0.000 0.210 201 L C 2.000 178.878 176.870 0.013 0.000 1.076 201 L CA 2.005 56.851 54.840 0.011 0.000 0.749 201 L CB -1.286 40.781 42.059 0.013 0.000 0.893 201 L HN 0.727 nan 8.230 nan 0.000 0.432 202 N N 0.008 118.710 118.700 0.004 0.000 2.069 202 N HA -0.200 4.540 4.740 0.000 0.000 0.191 202 N C 1.783 177.288 175.510 -0.009 0.000 1.031 202 N CA 1.713 54.767 53.050 0.008 0.000 0.852 202 N CB -0.261 38.229 38.487 0.005 0.000 1.018 202 N HN 0.523 nan 8.380 nan 0.000 0.423 203 E N 0.380 120.561 120.200 -0.031 0.000 2.038 203 E HA -0.156 4.194 4.350 0.000 0.000 0.195 203 E C 2.111 178.658 176.600 -0.089 0.000 1.000 203 E CA 0.903 57.264 56.400 -0.066 0.000 0.803 203 E CB -0.028 29.636 29.700 -0.060 0.000 0.750 203 E HN 0.257 nan 8.360 nan 0.000 0.448 204 R N 0.301 120.763 120.500 -0.063 0.000 2.092 204 R HA -0.084 4.256 4.340 0.000 0.000 0.231 204 R C 2.386 178.636 176.300 -0.085 0.000 1.119 204 R CA 1.389 57.440 56.100 -0.081 0.000 0.970 204 R CB -0.005 30.275 30.300 -0.034 0.000 0.864 204 R HN 0.013 nan 8.270 nan 0.000 0.440 205 S N 0.090 115.783 115.700 -0.012 0.000 2.348 205 S HA -0.114 4.356 4.470 0.000 0.000 0.221 205 S C 1.943 176.468 174.600 -0.125 0.000 1.033 205 S CA 1.678 59.897 58.200 0.032 0.000 1.010 205 S CB -0.148 63.129 63.200 0.129 0.000 0.891 205 S HN 0.361 nan 8.310 nan 0.000 0.442 206 S N 1.557 117.220 115.700 -0.061 0.000 2.368 206 S HA -0.076 4.394 4.470 0.000 0.000 0.225 206 S C 1.837 176.353 174.600 -0.140 0.000 1.030 206 S CA 1.119 59.287 58.200 -0.053 0.000 0.999 206 S CB -0.504 62.666 63.200 -0.050 0.000 0.844 206 S HN 0.360 nan 8.310 nan 0.000 0.459 207 L N 1.907 122.996 121.223 -0.223 0.000 1.994 207 L HA -0.097 4.243 4.340 0.000 0.000 0.208 207 L C 2.120 178.725 176.870 -0.442 0.000 1.071 207 L CA 1.870 56.508 54.840 -0.336 0.000 0.745 207 L CB -0.680 41.139 42.059 -0.400 0.000 0.892 207 L HN 0.244 nan 8.230 nan 0.000 0.431 208 E N -0.436 119.484 120.200 -0.467 0.000 2.051 208 E HA -0.214 4.136 4.350 0.000 0.000 0.192 208 E C 2.193 178.421 176.600 -0.620 0.000 0.991 208 E CA 1.099 57.175 56.400 -0.540 0.000 0.799 208 E CB -0.361 29.101 29.700 -0.397 0.000 0.748 208 E HN 0.665 nan 8.360 nan 0.000 0.449 209 A N 1.096 123.455 122.820 -0.768 0.000 1.892 209 A HA -0.239 4.081 4.320 0.000 0.000 0.218 209 A C 2.016 179.514 177.584 -0.145 0.000 1.188 209 A CA 1.587 53.354 52.037 -0.451 0.000 0.631 209 A CB -0.822 18.061 19.000 -0.195 0.000 0.822 209 A HN 0.385 nan 8.150 nan 0.000 0.447 210 F N 1.285 121.102 119.950 -0.223 0.000 2.163 210 F HA -0.080 4.447 4.527 0.000 0.000 0.297 210 F C 2.005 177.643 175.800 -0.270 0.000 1.094 210 F CA 1.575 59.470 58.000 -0.176 0.000 1.290 210 F CB -0.221 38.738 39.000 -0.069 0.000 1.017 210 F HN 0.338 nan 8.300 nan 0.000 0.483 211 I N -1.390 118.901 120.570 -0.465 0.000 2.493 211 I HA -0.158 4.012 4.170 0.000 0.000 0.254 211 I C 1.686 177.578 176.117 -0.376 0.000 1.160 211 I CA 1.395 62.257 61.300 -0.729 0.000 1.445 211 I CB -0.653 36.504 38.000 -1.406 0.000 1.086 211 I HN 0.208 nan 8.210 nan 0.000 0.433 212 L N 0.263 121.336 121.223 -0.250 0.000 2.209 212 L HA -0.027 4.313 4.340 0.000 0.000 0.207 212 L C 2.496 179.297 176.870 -0.115 0.000 1.094 212 L CA 0.457 55.248 54.840 -0.081 0.000 0.790 212 L CB -0.395 41.662 42.059 -0.003 0.000 0.932 212 L HN 0.307 nan 8.230 nan 0.000 0.447 213 L N -0.147 120.952 121.223 -0.207 0.000 2.043 213 L HA -0.274 4.066 4.340 0.000 0.000 0.212 213 L C 2.442 179.193 176.870 -0.199 0.000 1.075 213 L CA 1.990 56.679 54.840 -0.253 0.000 0.752 213 L CB -0.655 41.042 42.059 -0.604 0.000 0.891 213 L HN 0.249 nan 8.230 nan 0.000 0.432 214 C N -0.757 118.315 119.300 -0.380 0.000 2.440 214 C HA -0.059 4.401 4.460 0.000 0.000 0.278 214 C C 3.103 177.813 174.990 -0.467 0.000 1.295 214 C CA 0.963 59.705 59.018 -0.460 0.000 1.738 214 C CB -1.238 26.157 27.740 -0.574 0.000 1.987 214 C HN 0.827 nan 8.230 nan 0.000 0.492 215 S N -0.197 115.108 115.700 -0.658 0.000 2.439 215 S HA 0.267 4.737 4.470 0.000 0.000 0.224 215 S C 1.751 176.146 174.600 -0.341 0.000 1.029 215 S CA 1.394 58.891 58.200 -1.172 0.000 0.946 215 S CB -0.452 61.914 63.200 -1.389 0.000 0.797 215 S HN 1.084 nan 8.310 nan 0.000 0.504 216 G N 0.617 109.349 108.800 -0.114 0.000 2.184 216 G HA2 -0.140 3.820 3.960 0.000 0.000 0.264 216 G HA3 -0.140 3.820 3.960 0.000 0.000 0.264 216 G C 0.540 175.367 174.900 -0.121 0.000 0.975 216 G CA 0.430 45.462 45.100 -0.114 0.000 0.642 216 G HN 1.097 nan 8.290 nan 0.000 0.536 217 G N -0.980 107.724 108.800 -0.159 0.000 3.019 217 G HA2 0.793 4.753 3.960 0.000 0.000 0.152 217 G HA3 0.793 4.753 3.960 0.000 0.000 0.152 217 G C 0.362 175.219 174.900 -0.072 0.000 1.320 217 G CA 0.978 46.000 45.100 -0.129 0.000 1.013 217 G HN 1.363 nan 8.290 nan 0.000 0.593 218 T N -1.941 112.566 114.554 -0.078 0.000 2.949 218 T HA 0.473 4.823 4.350 0.000 0.000 0.287 218 T C 1.409 176.102 174.700 -0.012 0.000 1.034 218 T CA -0.702 61.387 62.100 -0.018 0.000 1.018 218 T CB 1.508 70.369 68.868 -0.012 0.000 1.135 218 T HN 0.143 nan 8.240 nan 0.000 0.532 219 L N 0.081 121.349 121.223 0.075 0.000 2.127 219 L HA -0.070 4.270 4.340 0.000 0.000 0.211 219 L C 2.550 179.464 176.870 0.073 0.000 1.089 219 L CA 1.470 56.392 54.840 0.137 0.000 0.757 219 L CB -0.575 41.571 42.059 0.145 0.000 0.899 219 L HN 0.699 nan 8.230 nan 0.000 0.434 220 E N -0.109 120.108 120.200 0.028 0.000 2.230 220 E HA -0.116 4.234 4.350 0.000 0.000 0.192 220 E C 1.487 178.078 176.600 -0.015 0.000 0.987 220 E CA 0.801 57.210 56.400 0.015 0.000 0.841 220 E CB -0.164 29.542 29.700 0.011 0.000 0.783 220 E HN 0.540 nan 8.360 nan 0.000 0.481 221 N N -0.672 117.997 118.700 -0.050 0.000 2.236 221 N HA 0.043 4.783 4.740 0.000 0.000 0.196 221 N C -0.533 174.912 175.510 -0.108 0.000 1.114 221 N CA -0.082 52.930 53.050 -0.063 0.000 0.859 221 N CB 0.440 38.893 38.487 -0.056 0.000 0.982 221 N HN -0.219 nan 8.380 nan 0.000 0.493 222 S N 0.086 115.645 115.700 -0.235 0.000 2.480 222 S HA 0.262 4.732 4.470 0.000 0.000 0.286 222 S C -0.307 174.142 174.600 -0.251 0.000 1.180 222 S CA -0.805 57.147 58.200 -0.413 0.000 1.075 222 S CB 1.238 63.698 63.200 -1.232 0.000 0.996 222 S HN 0.330 nan 8.310 nan 0.000 0.487 223 S N 2.711 118.449 115.700 0.064 0.000 2.488 223 S HA 0.139 4.609 4.470 0.000 0.000 0.278 223 S C 0.852 175.704 174.600 0.419 0.000 1.259 223 S CA -0.605 57.698 58.200 0.172 0.000 1.061 223 S CB -0.232 63.011 63.200 0.073 0.000 0.910 223 S HN 0.622 nan 8.310 nan 0.000 0.491 224 F N 5.809 125.960 119.950 0.336 0.000 2.113 224 F HA 0.127 4.654 4.527 0.000 0.000 0.297 224 F C 2.071 178.076 175.800 0.342 0.000 1.103 224 F CA 2.008 60.277 58.000 0.448 0.000 1.248 224 F CB -1.067 38.073 39.000 0.234 0.000 0.999 224 F HN 0.693 nan 8.300 nan 0.000 0.475 225 G N -0.303 108.498 108.800 0.001 0.000 2.469 225 G HA2 -0.385 3.576 3.960 0.000 0.000 0.219 225 G HA3 -0.385 3.576 3.960 0.000 0.000 0.219 225 G C 1.490 176.487 174.900 0.162 0.000 1.150 225 G CA 1.134 46.157 45.100 -0.127 0.000 0.763 225 G HN 0.441 nan 8.290 nan 0.000 0.561 226 E N -0.107 120.165 120.200 0.119 0.000 2.118 226 E HA -0.142 4.208 4.350 0.000 0.000 0.195 226 E C 1.973 178.643 176.600 0.116 0.000 0.992 226 E CA 0.859 57.255 56.400 -0.005 0.000 0.804 226 E CB -0.495 28.911 29.700 -0.489 0.000 0.741 226 E HN 0.409 nan 8.360 nan 0.000 0.458 227 F N 0.440 120.533 119.950 0.239 0.000 2.134 227 F HA -0.103 4.424 4.527 0.000 0.000 0.299 227 F C 1.767 177.684 175.800 0.196 0.000 1.097 227 F CA 1.279 59.450 58.000 0.284 0.000 1.264 227 F CB -0.114 39.144 39.000 0.429 0.000 1.001 227 F HN 0.037 nan 8.300 nan 0.000 0.479 228 L N -0.522 120.719 121.223 0.030 0.000 2.127 228 L HA -0.288 4.052 4.340 0.000 0.000 0.211 228 L C 2.673 179.578 176.870 0.060 0.000 1.089 228 L CA 1.575 56.403 54.840 -0.020 0.000 0.757 228 L CB -1.058 40.959 42.059 -0.071 0.000 0.899 228 L HN 0.329 nan 8.230 nan 0.000 0.434 229 H N -0.529 118.564 119.070 0.038 0.000 2.293 229 H HA -0.224 4.332 4.556 0.000 0.000 0.300 229 H C 2.074 177.368 175.328 -0.056 0.000 1.082 229 H CA 2.362 58.386 56.048 -0.040 0.000 1.308 229 H CB -0.107 29.676 29.762 0.036 0.000 1.375 229 H HN 0.260 nan 8.280 nan 0.000 0.495 230 W N 1.049 122.288 121.300 -0.102 0.000 2.317 230 W HA -0.247 4.413 4.660 0.000 0.000 0.318 230 W C 2.877 179.185 176.519 -0.353 0.000 1.227 230 W CA 1.143 58.389 57.345 -0.165 0.000 1.269 230 W CB -1.469 27.987 29.460 -0.007 0.000 1.155 230 W HN 0.425 nan 8.180 nan 0.000 0.484 231 W N 0.950 122.044 121.300 -0.344 0.000 2.318 231 W HA -0.281 4.379 4.660 0.000 0.000 0.313 231 W C 2.074 178.256 176.519 -0.562 0.000 1.221 231 W CA 2.915 60.033 57.345 -0.378 0.000 1.266 231 W CB -0.896 28.361 29.460 -0.338 0.000 1.150 231 W HN -0.080 nan 8.180 nan 0.000 0.496 232 A N 1.009 123.434 122.820 -0.658 0.000 1.851 232 A HA -0.281 4.039 4.320 0.000 0.000 0.216 232 A C 1.981 178.853 177.584 -1.186 0.000 1.195 232 A CA 2.480 53.658 52.037 -1.432 0.000 0.622 232 A CB -1.187 17.226 19.000 -0.979 0.000 0.831 232 A HN 0.278 nan 8.150 nan 0.000 0.444 233 M N 0.406 119.389 119.600 -1.029 0.000 2.195 233 M HA -0.106 4.374 4.480 0.000 0.000 0.260 233 M C 2.007 177.844 176.300 -0.772 0.000 1.066 233 M CA 1.697 56.294 55.300 -1.173 0.000 1.089 233 M CB -1.636 29.710 32.600 -2.091 0.000 1.377 233 M HN 0.393 nan 8.290 nan 0.000 0.411 234 S N -0.708 114.643 115.700 -0.581 0.000 2.562 234 S HA 0.250 4.720 4.470 0.000 0.000 0.221 234 S C 1.429 175.808 174.600 -0.369 0.000 0.975 234 S CA 0.731 58.767 58.200 -0.273 0.000 0.918 234 S CB 0.039 63.102 63.200 -0.227 0.000 0.772 234 S HN 0.751 nan 8.310 nan 0.000 0.531 235 G N 0.657 109.154 108.800 -0.504 0.000 2.138 235 G HA2 -0.261 3.699 3.960 0.000 0.000 0.193 235 G HA3 -0.261 3.699 3.960 0.000 0.000 0.193 235 G C 0.186 174.933 174.900 -0.255 0.000 0.998 235 G CA -0.343 44.572 45.100 -0.308 0.000 0.668 235 G HN 0.455 nan 8.290 nan 0.000 0.516 236 Y N -1.103 118.708 120.300 -0.816 0.000 3.825 236 Y HA -0.254 4.296 4.550 0.000 0.000 0.221 236 Y C 1.183 176.328 175.900 -1.259 0.000 1.195 236 Y CA 1.813 59.164 58.100 -1.249 0.000 1.699 236 Y CB -2.419 35.787 38.460 -0.423 0.000 1.531 236 Y HN 1.270 nan 8.280 nan 0.000 0.640 237 T N -5.560 108.284 114.554 -1.183 0.000 2.883 237 T HA 0.446 4.796 4.350 0.000 0.000 0.301 237 T C 0.237 174.601 174.700 -0.560 0.000 1.158 237 T CA -0.452 61.231 62.100 -0.695 0.000 1.007 237 T CB 1.527 70.248 68.868 -0.245 0.000 1.186 237 T HN 0.059 nan 8.240 nan 0.000 0.499 238 Y N 1.498 121.724 120.300 -0.123 0.000 2.114 238 Y HA -0.109 4.441 4.550 0.000 0.000 0.284 238 Y C 2.684 178.520 175.900 -0.106 0.000 1.143 238 Y CA 2.311 60.422 58.100 0.020 0.000 1.135 238 Y CB -0.456 38.034 38.460 0.051 0.000 0.980 238 Y HN 0.759 nan 8.280 nan 0.000 0.499 239 Q N 0.423 120.024 119.800 -0.331 0.000 2.096 239 Q HA -0.092 4.248 4.340 0.000 0.000 0.204 239 Q C 2.469 178.239 176.000 -0.383 0.000 0.982 239 Q CA 2.080 57.635 55.803 -0.413 0.000 0.850 239 Q CB -1.196 27.417 28.738 -0.209 0.000 0.901 239 Q HN 0.594 nan 8.270 nan 0.000 0.422 240 G N -0.503 108.105 108.800 -0.319 0.000 2.446 240 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 240 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 240 G C 1.652 176.349 174.900 -0.340 0.000 1.168 240 G CA 1.106 46.011 45.100 -0.325 0.000 0.771 240 G HN 0.507 nan 8.290 nan 0.000 0.551 241 C N 0.491 119.626 119.300 -0.275 0.000 2.413 241 C HA -0.036 4.424 4.460 0.000 0.000 0.276 241 C C 2.993 177.864 174.990 -0.198 0.000 1.236 241 C CA 1.050 60.004 59.018 -0.108 0.000 1.735 241 C CB -0.704 27.174 27.740 0.230 0.000 2.031 241 C HN 0.375 nan 8.230 nan 0.000 0.474 242 M N 0.823 120.195 119.600 -0.380 0.000 2.117 242 M HA -0.102 4.378 4.480 0.000 0.000 0.262 242 M C 1.671 177.720 176.300 -0.419 0.000 1.065 242 M CA 1.636 56.692 55.300 -0.407 0.000 1.114 242 M CB -1.603 30.631 32.600 -0.609 0.000 1.361 242 M HN 0.359 nan 8.290 nan 0.000 0.408 243 D N -0.232 119.890 120.400 -0.464 0.000 2.097 243 D HA -0.120 4.520 4.640 0.000 0.000 0.195 243 D C 2.173 178.103 176.300 -0.617 0.000 0.989 243 D CA 1.283 54.962 54.000 -0.535 0.000 0.827 243 D CB -0.271 40.179 40.800 -0.584 0.000 0.966 243 D HN 0.356 nan 8.370 nan 0.000 0.456 244 C N -0.141 118.776 119.300 -0.638 0.000 2.485 244 C HA 0.130 4.590 4.460 0.000 0.000 0.278 244 C C 2.670 177.418 174.990 -0.402 0.000 1.356 244 C CA 0.001 58.654 59.018 -0.608 0.000 1.747 244 C CB -0.724 26.688 27.740 -0.547 0.000 2.001 244 C HN 0.319 nan 8.230 nan 0.000 0.501 245 L N -1.073 119.980 121.223 -0.283 0.000 2.354 245 L HA 0.226 4.566 4.340 0.000 0.000 0.212 245 L C 1.749 178.425 176.870 -0.322 0.000 1.091 245 L CA 0.957 55.702 54.840 -0.158 0.000 0.828 245 L CB -0.130 41.915 42.059 -0.024 0.000 0.973 245 L HN 0.267 nan 8.230 nan 0.000 0.461 246 M N -1.813 117.435 119.600 -0.586 0.000 4.202 246 M HA 0.146 4.626 4.480 0.000 0.000 0.547 246 M C 0.328 175.985 176.300 -1.072 0.000 1.902 246 M CA 0.059 54.571 55.300 -1.313 0.000 0.619 246 M CB 0.686 32.706 32.600 -0.967 0.000 1.492 246 M HN -0.092 nan 8.290 nan 0.000 0.589 247 S N -0.418 114.840 115.700 -0.737 0.000 2.506 247 S HA 0.264 4.734 4.470 0.000 0.000 0.230 247 S C -0.557 173.693 174.600 -0.583 0.000 1.066 247 S CA 0.520 58.267 58.200 -0.755 0.000 0.940 247 S CB 0.459 62.909 63.200 -1.250 0.000 0.818 247 S HN 0.430 nan 8.310 nan 0.000 0.518 248 Y N 2.462 122.828 120.300 0.110 0.000 2.391 248 Y HA 0.596 5.146 4.550 0.000 0.000 0.341 248 Y C -0.120 175.875 175.900 0.159 0.000 0.965 248 Y CA -1.678 56.492 58.100 0.118 0.000 1.067 248 Y CB 1.111 39.559 38.460 -0.020 0.000 1.199 248 Y HN 0.050 nan 8.280 nan 0.000 0.450 249 K N 0.727 121.255 120.400 0.213 0.000 2.433 249 K HA 0.714 5.034 4.320 0.000 0.000 0.252 249 K C -1.590 174.955 176.600 -0.092 0.000 1.015 249 K CA -0.920 55.356 56.287 -0.018 0.000 0.860 249 K CB 1.708 34.180 32.500 -0.046 0.000 1.359 249 K HN 0.273 nan 8.250 nan 0.000 0.452 250 F N 2.102 122.040 119.950 -0.021 0.000 2.456 250 F HA 0.154 4.681 4.527 0.000 0.000 0.358 250 F C 1.689 177.457 175.800 -0.053 0.000 1.095 250 F CA -0.202 57.776 58.000 -0.037 0.000 1.216 250 F CB 1.290 40.261 39.000 -0.048 0.000 1.125 250 F HN 0.672 nan 8.300 nan 0.000 0.549 251 K N 0.011 120.490 120.400 0.131 0.000 2.296 251 K HA -0.049 4.271 4.320 0.000 0.000 0.200 251 K C 0.136 176.725 176.600 -0.018 0.000 1.048 251 K CA 1.363 57.668 56.287 0.031 0.000 0.966 251 K CB 0.073 32.592 32.500 0.031 0.000 0.754 251 K HN 0.405 nan 8.250 nan 0.000 0.466 252 D N 1.018 121.433 120.400 0.026 0.000 2.349 252 D HA 0.161 4.801 4.640 0.000 0.000 0.214 252 D C 0.354 176.631 176.300 -0.038 0.000 1.063 252 D CA 0.823 54.809 54.000 -0.023 0.000 0.847 252 D CB 0.842 41.635 40.800 -0.012 0.000 0.933 252 D HN 0.461 nan 8.370 nan 0.000 0.513 253 G N 1.060 109.861 108.800 0.001 0.000 2.690 253 G HA2 -0.230 3.730 3.960 0.000 0.000 0.686 253 G HA3 -0.230 3.730 3.960 0.000 0.000 0.686 253 G C 0.519 175.434 174.900 0.025 0.000 1.277 253 G CA -0.615 44.481 45.100 -0.005 0.000 0.799 253 G HN -0.049 nan 8.290 nan 0.000 0.613 254 Q N 0.009 119.870 119.800 0.102 0.000 2.170 254 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 254 Q C 2.948 179.042 176.000 0.157 0.000 0.976 254 Q CA 1.912 57.818 55.803 0.173 0.000 0.858 254 Q CB -0.300 28.627 28.738 0.315 0.000 0.907 254 Q HN 0.637 nan 8.270 nan 0.000 0.433 255 S N 0.908 116.672 115.700 0.106 0.000 2.419 255 S HA -0.117 4.353 4.470 0.000 0.000 0.233 255 S C 1.954 176.551 174.600 -0.004 0.000 1.016 255 S CA 0.914 59.146 58.200 0.054 0.000 0.974 255 S CB -0.113 63.118 63.200 0.053 0.000 0.786 255 S HN 0.485 nan 8.310 nan 0.000 0.492 256 A N 0.637 123.440 122.820 -0.029 0.000 1.969 256 A HA -0.006 4.314 4.320 0.000 0.000 0.218 256 A C 1.819 179.376 177.584 -0.045 0.000 1.169 256 A CA 1.000 53.003 52.037 -0.056 0.000 0.635 256 A CB -0.646 18.312 19.000 -0.070 0.000 0.810 256 A HN 0.495 nan 8.150 nan 0.000 0.445 257 F N 1.040 120.825 119.950 -0.275 0.000 2.113 257 F HA 0.032 4.559 4.527 0.000 0.000 0.297 257 F C 2.480 178.382 175.800 0.170 0.000 1.103 257 F CA 0.861 58.733 58.000 -0.214 0.000 1.248 257 F CB -0.627 38.034 39.000 -0.565 0.000 0.999 257 F HN 0.231 nan 8.300 nan 0.000 0.475 258 A N 0.781 123.672 122.820 0.119 0.000 1.933 258 A HA -0.169 4.151 4.320 0.000 0.000 0.218 258 A C 2.259 179.850 177.584 0.013 0.000 1.175 258 A CA 1.304 53.326 52.037 -0.025 0.000 0.628 258 A CB -0.604 18.247 19.000 -0.248 0.000 0.814 258 A HN 0.319 nan 8.150 nan 0.000 0.444 259 R N -0.504 119.976 120.500 -0.033 0.000 2.193 259 R HA -0.037 4.303 4.340 0.000 0.000 0.229 259 R C 1.961 178.229 176.300 -0.055 0.000 1.110 259 R CA 0.720 56.810 56.100 -0.016 0.000 0.988 259 R CB -0.468 29.801 30.300 -0.051 0.000 0.871 259 R HN 0.445 nan 8.270 nan 0.000 0.458 260 R N -0.027 120.330 120.500 -0.238 0.000 2.075 260 R HA -0.010 4.330 4.340 0.000 0.000 0.232 260 R C 2.290 178.215 176.300 -0.626 0.000 1.126 260 R CA 1.083 56.787 56.100 -0.661 0.000 0.963 260 R CB -0.867 28.605 30.300 -1.381 0.000 0.858 260 R HN 0.252 nan 8.270 nan 0.000 0.435 261 F N -0.359 119.335 119.950 -0.428 0.000 2.134 261 F HA -0.213 4.314 4.527 0.000 0.000 0.299 261 F C 2.550 178.341 175.800 -0.015 0.000 1.097 261 F CA 0.903 58.851 58.000 -0.087 0.000 1.264 261 F CB -0.460 38.534 39.000 -0.010 0.000 1.001 261 F HN 0.168 nan 8.300 nan 0.000 0.479 262 W N 1.834 123.143 121.300 0.014 0.000 2.358 262 W HA -0.170 4.490 4.660 0.000 0.000 0.303 262 W C 1.925 178.403 176.519 -0.068 0.000 1.208 262 W CA 1.943 59.258 57.345 -0.051 0.000 1.274 262 W CB -0.312 29.078 29.460 -0.116 0.000 1.138 262 W HN 0.171 nan 8.180 nan 0.000 0.515 263 E N 0.200 120.383 120.200 -0.029 0.000 2.038 263 E HA -0.306 4.044 4.350 0.000 0.000 0.195 263 E C 2.016 178.537 176.600 -0.132 0.000 1.000 263 E CA 1.797 58.138 56.400 -0.098 0.000 0.803 263 E CB -0.591 29.060 29.700 -0.081 0.000 0.750 263 E HN 0.351 nan 8.360 nan 0.000 0.448 264 E N 0.511 120.655 120.200 -0.092 0.000 2.051 264 E HA -0.225 4.125 4.350 0.000 0.000 0.192 264 E C 2.081 178.635 176.600 -0.077 0.000 0.991 264 E CA 1.035 57.412 56.400 -0.038 0.000 0.799 264 E CB -0.085 29.651 29.700 0.059 0.000 0.748 264 E HN 0.230 nan 8.360 nan 0.000 0.449 265 A N 1.273 124.019 122.820 -0.122 0.000 1.883 265 A HA -0.178 4.142 4.320 0.000 0.000 0.217 265 A C 2.433 179.873 177.584 -0.240 0.000 1.186 265 A CA 2.126 54.060 52.037 -0.171 0.000 0.624 265 A CB -0.994 17.872 19.000 -0.224 0.000 0.822 265 A HN 0.432 nan 8.150 nan 0.000 0.444 266 A N -0.579 122.003 122.820 -0.397 0.000 1.908 266 A HA 0.062 4.382 4.320 0.000 0.000 0.218 266 A C 2.412 179.918 177.584 -0.130 0.000 1.181 266 A CA 2.029 53.880 52.037 -0.309 0.000 0.627 266 A CB -1.461 17.312 19.000 -0.377 0.000 0.818 266 A HN 0.879 nan 8.150 nan 0.000 0.445 267 G N -0.801 107.935 108.800 -0.107 0.000 2.498 267 G HA2 -0.130 3.830 3.960 0.000 0.000 0.219 267 G HA3 -0.130 3.830 3.960 0.000 0.000 0.219 267 G C 1.556 176.436 174.900 -0.033 0.000 1.119 267 G CA 1.803 46.871 45.100 -0.053 0.000 0.766 267 G HN 0.741 nan 8.290 nan 0.000 0.552 268 T N -2.570 111.962 114.554 -0.036 0.000 3.085 268 T HA 0.289 4.640 4.350 0.000 0.000 0.263 268 T C 2.074 176.771 174.700 -0.005 0.000 1.127 268 T CA 1.013 63.105 62.100 -0.015 0.000 1.103 268 T CB -0.203 68.662 68.868 -0.005 0.000 0.921 268 T HN 1.267 nan 8.240 nan 0.000 0.510 269 G N 1.852 110.649 108.800 -0.005 0.000 2.155 269 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 269 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 269 G C 0.755 175.676 174.900 0.035 0.000 0.983 269 G CA 0.361 45.469 45.100 0.013 0.000 0.676 269 G HN 0.610 nan 8.290 nan 0.000 0.528 270 R N -1.160 119.367 120.500 0.044 0.000 2.546 270 R HA 0.407 4.747 4.340 0.000 0.000 0.320 270 R C 0.156 176.540 176.300 0.141 0.000 1.021 270 R CA -0.391 55.765 56.100 0.092 0.000 1.088 270 R CB 0.581 30.932 30.300 0.084 0.000 1.278 270 R HN 0.306 nan 8.270 nan 0.000 0.557 271 L N 0.770 122.051 121.223 0.096 0.000 2.265 271 L HA 0.544 4.884 4.340 0.000 0.000 0.289 271 L C -0.143 176.826 176.870 0.165 0.000 1.033 271 L CA -0.337 54.549 54.840 0.077 0.000 0.814 271 L CB 1.443 43.455 42.059 -0.079 0.000 1.203 271 L HN 0.045 nan 8.230 nan 0.000 0.423 272 G N 4.208 113.091 108.800 0.139 0.000 2.388 272 G HA2 0.564 4.524 3.960 0.000 0.000 0.330 272 G HA3 0.564 4.524 3.960 0.000 0.000 0.330 272 G C -1.773 173.095 174.900 -0.053 0.000 1.142 272 G CA -0.375 44.744 45.100 0.032 0.000 0.908 272 G HN 0.698 nan 8.290 nan 0.000 0.473 273 Y N -0.896 119.360 120.300 -0.073 0.000 2.534 273 Y HA 0.720 5.270 4.550 0.000 0.000 0.345 273 Y C -1.146 174.684 175.900 -0.117 0.000 1.031 273 Y CA -1.680 56.362 58.100 -0.096 0.000 1.022 273 Y CB 1.842 40.455 38.460 0.255 0.000 1.292 273 Y HN 0.415 nan 8.280 nan 0.000 0.459 274 V N 3.846 123.653 119.914 -0.179 0.000 2.524 274 V HA 0.424 4.544 4.120 0.000 0.000 0.297 274 V C -0.890 175.013 176.094 -0.319 0.000 1.035 274 V CA -0.775 61.429 62.300 -0.160 0.000 0.867 274 V CB 0.836 32.523 31.823 -0.228 0.000 1.004 274 V HN 0.750 nan 8.190 nan 0.000 0.426 275 F N 1.442 121.397 119.950 0.009 0.000 2.411 275 F HA 0.701 5.228 4.527 0.000 0.000 0.324 275 F C 1.434 177.189 175.800 -0.075 0.000 1.086 275 F CA 0.422 58.378 58.000 -0.074 0.000 1.028 275 F CB 1.308 40.249 39.000 -0.098 0.000 1.284 275 F HN 0.738 nan 8.300 nan 0.000 0.501 276 G N 0.277 109.122 108.800 0.075 0.000 2.273 276 G HA2 -0.290 3.670 3.960 0.000 0.000 0.280 276 G HA3 -0.290 3.670 3.960 0.000 0.000 0.280 276 G C -0.363 174.530 174.900 -0.011 0.000 1.047 276 G CA 0.143 45.254 45.100 0.017 0.000 0.869 276 G HN 0.886 nan 8.290 nan 0.000 0.502 277 C N 1.969 121.220 119.300 -0.082 0.000 3.335 277 C HA 0.569 5.029 4.460 0.000 0.000 0.217 277 C C -1.853 173.070 174.990 -0.112 0.000 1.330 277 C CA -2.047 56.928 59.018 -0.071 0.000 1.470 277 C CB 0.141 27.814 27.740 -0.112 0.000 1.806 277 C HN 0.444 nan 8.230 nan 0.000 0.468 278 P HA 0.190 nan 4.420 nan 0.000 0.276 278 P C -0.187 177.117 177.300 0.007 0.000 1.230 278 P CA 0.466 63.526 63.100 -0.067 0.000 0.776 278 P CB 1.094 32.857 31.700 0.104 0.000 0.888 279 V N 4.843 124.751 119.914 -0.010 0.000 2.644 279 V HA 0.276 4.396 4.120 0.000 0.000 0.295 279 V C 1.899 178.004 176.094 0.019 0.000 1.053 279 V CA -0.059 62.244 62.300 0.006 0.000 0.987 279 V CB 1.416 33.223 31.823 -0.026 0.000 1.006 279 V HN 0.669 nan 8.190 nan 0.000 0.472 280 R N 1.802 122.303 120.500 0.002 0.000 2.342 280 R HA 0.284 4.624 4.340 0.000 0.000 0.204 280 R C 0.434 176.679 176.300 -0.091 0.000 0.882 280 R CA 0.234 56.322 56.100 -0.019 0.000 1.041 280 R CB 0.751 31.055 30.300 0.008 0.000 1.188 280 R HN 0.589 nan 8.270 nan 0.000 0.598 281 S N 0.506 116.151 115.700 -0.091 0.000 2.571 281 S HA 0.564 5.034 4.470 0.000 0.000 0.284 281 S C -1.484 173.050 174.600 -0.111 0.000 1.128 281 S CA -0.528 57.600 58.200 -0.119 0.000 0.970 281 S CB 2.072 65.246 63.200 -0.044 0.000 1.039 281 S HN 0.063 nan 8.310 nan 0.000 0.485 282 V N 4.922 124.736 119.914 -0.167 0.000 2.483 282 V HA 0.632 4.752 4.120 0.000 0.000 0.297 282 V C -0.797 175.351 176.094 0.091 0.000 1.027 282 V CA -0.612 61.682 62.300 -0.010 0.000 0.855 282 V CB 1.724 33.594 31.823 0.077 0.000 0.995 282 V HN 0.686 nan 8.190 nan 0.000 0.424 283 V N 3.635 123.609 119.914 0.099 0.000 2.531 283 V HA 0.410 4.530 4.120 0.000 0.000 0.301 283 V C -0.134 176.024 176.094 0.106 0.000 1.034 283 V CA -0.970 61.397 62.300 0.111 0.000 0.865 283 V CB 1.958 33.825 31.823 0.072 0.000 0.995 283 V HN 0.885 nan 8.190 nan 0.000 0.424 284 N N 3.512 122.278 118.700 0.111 0.000 2.442 284 N HA 0.286 5.026 4.740 0.000 0.000 0.265 284 N C 0.049 175.588 175.510 0.050 0.000 1.138 284 N CA -0.119 52.972 53.050 0.069 0.000 0.956 284 N CB 0.986 39.494 38.487 0.035 0.000 1.067 284 N HN 0.742 nan 8.380 nan 0.000 0.474 285 E N 1.409 121.635 120.200 0.043 0.000 2.808 285 E HA 0.382 4.732 4.350 0.000 0.000 0.213 285 E C -0.344 176.273 176.600 0.027 0.000 0.784 285 E CA -0.888 55.534 56.400 0.036 0.000 1.154 285 E CB 0.645 30.368 29.700 0.040 0.000 1.693 285 E HN 0.263 nan 8.360 nan 0.000 0.422 286 R N 2.061 122.577 120.500 0.026 0.000 2.308 286 R HA 0.099 4.439 4.340 0.000 0.000 0.325 286 R C -0.825 175.490 176.300 0.025 0.000 1.161 286 R CA 0.229 56.342 56.100 0.022 0.000 1.022 286 R CB -0.584 29.727 30.300 0.020 0.000 1.091 286 R HN 0.531 nan 8.270 nan 0.000 0.497 287 D N -0.755 119.658 120.400 0.023 0.000 2.653 287 D HA -0.200 4.440 4.640 0.000 0.000 0.184 287 D C -0.147 176.175 176.300 0.036 0.000 0.993 287 D CA 2.040 56.057 54.000 0.027 0.000 1.027 287 D CB -0.617 40.200 40.800 0.029 0.000 1.089 287 D HN 0.622 nan 8.370 nan 0.000 0.447 288 A N -0.637 122.208 122.820 0.041 0.000 2.486 288 A HA 0.914 5.234 4.320 0.000 0.000 0.289 288 A C -1.023 176.595 177.584 0.056 0.000 1.176 288 A CA 0.185 52.255 52.037 0.055 0.000 0.757 288 A CB 2.084 21.123 19.000 0.066 0.000 1.337 288 A HN 0.595 nan 8.150 nan 0.000 0.423 289 A N 0.125 122.985 122.820 0.068 0.000 2.435 289 A HA 0.790 5.110 4.320 0.000 0.000 0.304 289 A C -0.419 177.215 177.584 0.085 0.000 1.064 289 A CA -0.609 51.471 52.037 0.072 0.000 0.727 289 A CB 1.155 20.196 19.000 0.069 0.000 1.284 289 A HN 0.921 nan 8.150 nan 0.000 0.415 290 R N 1.812 122.361 120.500 0.081 0.000 2.343 290 R HA 0.604 4.944 4.340 0.000 0.000 0.320 290 R C -1.779 174.572 176.300 0.085 0.000 0.956 290 R CA -0.273 55.877 56.100 0.084 0.000 0.836 290 R CB 1.216 31.553 30.300 0.062 0.000 1.151 290 R HN 0.466 nan 8.270 nan 0.000 0.450 291 V N 4.288 124.272 119.914 0.117 0.000 2.370 291 V HA 0.332 4.452 4.120 0.000 0.000 0.283 291 V C -0.299 175.899 176.094 0.173 0.000 1.023 291 V CA -0.528 61.844 62.300 0.120 0.000 0.857 291 V CB 1.762 33.647 31.823 0.105 0.000 0.985 291 V HN 0.820 nan 8.190 nan 0.000 0.443 292 T N 4.541 119.154 114.554 0.098 0.000 2.779 292 T HA 0.683 5.033 4.350 0.000 0.000 0.280 292 T C 0.362 175.117 174.700 0.092 0.000 0.987 292 T CA -0.208 61.940 62.100 0.079 0.000 0.966 292 T CB 1.637 70.518 68.868 0.022 0.000 0.933 292 T HN 0.879 nan 8.240 nan 0.000 0.442 293 A N 2.908 125.810 122.820 0.138 0.000 2.327 293 A HA 0.371 4.691 4.320 0.000 0.000 0.255 293 A C 1.590 179.213 177.584 0.066 0.000 1.099 293 A CA -0.323 51.789 52.037 0.124 0.000 0.801 293 A CB 0.283 19.402 19.000 0.198 0.000 1.062 293 A HN 0.938 nan 8.150 nan 0.000 0.496 294 R N -0.280 120.259 120.500 0.064 0.000 2.081 294 R HA -0.138 4.202 4.340 0.000 0.000 0.235 294 R C 0.645 176.971 176.300 0.043 0.000 1.131 294 R CA 1.749 57.882 56.100 0.055 0.000 0.960 294 R CB -0.234 30.110 30.300 0.073 0.000 0.856 294 R HN 0.928 nan 8.270 nan 0.000 0.436 295 D N -1.086 119.342 120.400 0.046 0.000 2.323 295 D HA 0.049 4.689 4.640 0.000 0.000 0.239 295 D C 0.989 177.297 176.300 0.013 0.000 1.129 295 D CA 0.712 54.731 54.000 0.031 0.000 0.865 295 D CB 0.134 40.956 40.800 0.037 0.000 0.913 295 D HN 0.307 nan 8.370 nan 0.000 0.517 296 G N 0.294 109.100 108.800 0.009 0.000 2.212 296 G HA2 -0.385 3.575 3.960 0.000 0.000 0.266 296 G HA3 -0.385 3.575 3.960 0.000 0.000 0.266 296 G C 0.382 175.247 174.900 -0.059 0.000 0.978 296 G CA 0.011 45.101 45.100 -0.016 0.000 0.632 296 G HN 0.497 nan 8.290 nan 0.000 0.537 297 R N 1.197 121.652 120.500 -0.076 0.000 2.522 297 R HA 0.377 4.717 4.340 0.000 0.000 0.284 297 R C 0.205 176.292 176.300 -0.355 0.000 1.032 297 R CA 0.450 56.404 56.100 -0.243 0.000 1.049 297 R CB 0.409 30.548 30.300 -0.269 0.000 0.956 297 R HN 0.536 nan 8.270 nan 0.000 0.422 298 E N 2.253 122.165 120.200 -0.480 0.000 2.212 298 E HA 0.407 4.757 4.350 0.000 0.000 0.270 298 E C -1.037 175.134 176.600 -0.715 0.000 0.956 298 E CA -0.536 55.637 56.400 -0.379 0.000 0.825 298 E CB 1.347 30.951 29.700 -0.160 0.000 1.167 298 E HN 0.281 nan 8.360 nan 0.000 0.400 299 F N 0.345 120.311 119.950 0.027 0.000 2.581 299 F HA 0.394 4.921 4.527 0.000 0.000 0.311 299 F C -0.593 175.250 175.800 0.072 0.000 1.113 299 F CA -1.023 57.008 58.000 0.052 0.000 0.935 299 F CB 1.425 40.407 39.000 -0.029 0.000 1.232 299 F HN 0.099 nan 8.300 nan 0.000 0.445 300 V N 2.239 122.343 119.914 0.316 0.000 2.628 300 V HA 0.968 5.088 4.120 0.000 0.000 0.306 300 V C -0.436 175.832 176.094 0.289 0.000 1.045 300 V CA -0.627 61.812 62.300 0.232 0.000 0.905 300 V CB 1.621 33.540 31.823 0.159 0.000 0.997 300 V HN 1.023 nan 8.190 nan 0.000 0.436 301 A N 3.331 126.272 122.820 0.201 0.000 2.601 301 A HA 0.601 4.921 4.320 0.000 0.000 0.291 301 A C 0.214 177.877 177.584 0.131 0.000 1.075 301 A CA -0.618 51.542 52.037 0.205 0.000 0.671 301 A CB 1.398 20.518 19.000 0.201 0.000 1.277 301 A HN 0.689 nan 8.150 nan 0.000 0.417 302 K N -0.623 119.852 120.400 0.126 0.000 2.097 302 K HA 0.006 4.326 4.320 0.000 0.000 0.205 302 K C 0.314 176.950 176.600 0.059 0.000 1.050 302 K CA 1.095 57.436 56.287 0.090 0.000 0.938 302 K CB -0.014 32.545 32.500 0.099 0.000 0.718 302 K HN 0.397 nan 8.250 nan 0.000 0.442 303 R N -0.137 120.392 120.500 0.049 0.000 2.771 303 R HA 0.411 4.751 4.340 0.000 0.000 0.274 303 R C -1.541 174.759 176.300 -0.000 0.000 0.987 303 R CA -0.953 55.153 56.100 0.009 0.000 0.908 303 R CB 2.093 32.377 30.300 -0.027 0.000 1.213 303 R HN -0.234 nan 8.270 nan 0.000 0.468 304 V N 2.438 122.337 119.914 -0.024 0.000 2.483 304 V HA 0.438 4.558 4.120 0.000 0.000 0.297 304 V C -0.502 175.540 176.094 -0.085 0.000 1.027 304 V CA -0.909 61.363 62.300 -0.045 0.000 0.855 304 V CB 2.149 33.956 31.823 -0.028 0.000 0.995 304 V HN 0.418 nan 8.190 nan 0.000 0.424 305 V N 4.046 123.914 119.914 -0.077 0.000 2.364 305 V HA 0.252 4.373 4.120 0.000 0.000 0.272 305 V C 0.187 176.242 176.094 -0.065 0.000 1.036 305 V CA -0.360 61.896 62.300 -0.074 0.000 0.880 305 V CB 1.241 33.039 31.823 -0.042 0.000 0.991 305 V HN 1.001 nan 8.190 nan 0.000 0.460 306 C N 5.437 124.681 119.300 -0.094 0.000 2.239 306 C HA 0.538 4.998 4.460 0.000 0.000 0.325 306 C C 1.513 176.604 174.990 0.168 0.000 1.231 306 C CA 0.152 59.175 59.018 0.008 0.000 1.652 306 C CB 0.124 27.826 27.740 -0.064 0.000 2.284 306 C HN 1.021 nan 8.230 nan 0.000 0.499 307 T N 3.517 118.154 114.554 0.139 0.000 3.176 307 T HA 0.319 4.670 4.350 0.000 0.000 0.263 307 T C 0.374 175.169 174.700 0.158 0.000 1.021 307 T CA -0.180 61.999 62.100 0.132 0.000 0.905 307 T CB -0.464 68.423 68.868 0.032 0.000 1.057 307 T HN 0.637 nan 8.240 nan 0.000 0.558 308 I N 2.937 123.661 120.570 0.257 0.000 2.648 308 I HA 0.217 4.387 4.170 0.000 0.000 0.284 308 I C -2.034 174.268 176.117 0.308 0.000 1.153 308 I CA -2.274 59.184 61.300 0.263 0.000 1.426 308 I CB 0.523 38.705 38.000 0.304 0.000 1.381 308 I HN 0.056 nan 8.210 nan 0.000 0.571 309 P HA -0.079 nan 4.420 nan 0.000 0.267 309 P C 0.554 178.078 177.300 0.373 0.000 1.200 309 P CA -0.223 63.030 63.100 0.255 0.000 0.772 309 P CB 0.553 32.409 31.700 0.260 0.000 0.855 310 L N 3.409 124.916 121.223 0.474 0.000 2.051 310 L HA -0.246 4.094 4.340 0.000 0.000 0.214 310 L C 1.457 178.523 176.870 0.326 0.000 1.076 310 L CA 2.169 57.312 54.840 0.504 0.000 0.758 310 L CB -1.072 41.352 42.059 0.609 0.000 0.890 310 L HN 0.281 nan 8.230 nan 0.000 0.433 311 N N -1.258 117.620 118.700 0.298 0.000 2.512 311 N HA -0.044 4.696 4.740 0.000 0.000 0.183 311 N C 1.393 176.989 175.510 0.144 0.000 1.073 311 N CA 1.114 54.249 53.050 0.142 0.000 0.911 311 N CB 0.118 38.605 38.487 0.000 0.000 0.964 311 N HN 0.342 nan 8.380 nan 0.000 0.447 312 V N -0.155 119.882 119.914 0.205 0.000 3.621 312 V HA 0.141 4.261 4.120 0.000 0.000 0.263 312 V C 2.015 178.236 176.094 0.212 0.000 1.272 312 V CA 0.141 62.562 62.300 0.201 0.000 1.080 312 V CB 0.087 32.062 31.823 0.252 0.000 0.816 312 V HN 0.175 nan 8.190 nan 0.000 0.451 313 L N 1.312 122.680 121.223 0.241 0.000 2.081 313 L HA -0.201 4.139 4.340 0.000 0.000 0.212 313 L C 2.705 179.722 176.870 0.245 0.000 1.080 313 L CA 2.036 57.045 54.840 0.282 0.000 0.754 313 L CB -0.493 41.703 42.059 0.229 0.000 0.893 313 L HN 0.601 nan 8.230 nan 0.000 0.433 314 S N -1.635 114.161 115.700 0.160 0.000 2.469 314 S HA -0.174 4.296 4.470 0.000 0.000 0.238 314 S C 1.877 176.542 174.600 0.109 0.000 0.998 314 S CA 1.323 59.596 58.200 0.122 0.000 0.957 314 S CB -0.871 62.375 63.200 0.077 0.000 0.764 314 S HN 0.614 nan 8.310 nan 0.000 0.514 315 T N -0.310 114.310 114.554 0.109 0.000 3.085 315 T HA 0.275 4.626 4.350 0.000 0.000 0.263 315 T C 0.720 175.447 174.700 0.045 0.000 1.127 315 T CA -0.073 62.073 62.100 0.076 0.000 1.103 315 T CB -0.523 68.395 68.868 0.084 0.000 0.921 315 T HN 0.327 nan 8.240 nan 0.000 0.510 316 I N 2.310 122.903 120.570 0.037 0.000 2.428 316 I HA 0.315 4.486 4.170 0.000 0.000 0.296 316 I C 0.021 175.999 176.117 -0.233 0.000 0.985 316 I CA -0.719 60.491 61.300 -0.149 0.000 1.260 316 I CB 1.354 39.167 38.000 -0.312 0.000 1.389 316 I HN 0.336 nan 8.210 nan 0.000 0.484 317 Q N 5.408 125.042 119.800 -0.277 0.000 2.296 317 Q HA 0.494 4.834 4.340 0.000 0.000 0.257 317 Q C -1.508 174.310 176.000 -0.304 0.000 0.942 317 Q CA -0.177 55.523 55.803 -0.172 0.000 0.939 317 Q CB 1.017 29.715 28.738 -0.068 0.000 1.198 317 Q HN 0.330 nan 8.270 nan 0.000 0.429 318 F N 0.896 120.898 119.950 0.087 0.000 2.482 318 F HA 0.368 4.895 4.527 0.000 0.000 0.331 318 F C 0.282 176.161 175.800 0.132 0.000 1.115 318 F CA -0.736 57.337 58.000 0.122 0.000 0.955 318 F CB 2.182 41.247 39.000 0.108 0.000 1.136 318 F HN 0.369 nan 8.300 nan 0.000 0.452 319 S N 5.392 121.285 115.700 0.322 0.000 2.552 319 S HA 0.616 5.086 4.470 0.000 0.000 0.314 319 S C -2.766 171.989 174.600 0.258 0.000 1.099 319 S CA -1.707 56.636 58.200 0.240 0.000 1.070 319 S CB 1.108 64.392 63.200 0.141 0.000 0.998 319 S HN 0.297 nan 8.310 nan 0.000 0.474 320 P HA 0.307 nan 4.420 nan 0.000 0.274 320 P C -0.454 177.036 177.300 0.318 0.000 1.256 320 P CA -0.452 62.772 63.100 0.207 0.000 0.795 320 P CB 0.390 32.156 31.700 0.111 0.000 1.038 321 A N 1.617 124.563 122.820 0.209 0.000 2.520 321 A HA 0.162 4.482 4.320 0.000 0.000 0.235 321 A C 0.665 178.333 177.584 0.139 0.000 1.065 321 A CA -0.060 52.076 52.037 0.165 0.000 0.764 321 A CB -0.854 18.206 19.000 0.100 0.000 1.002 321 A HN 0.488 nan 8.150 nan 0.000 0.502 322 L N 1.752 122.974 121.223 -0.002 0.000 2.472 322 L HA 0.266 4.606 4.340 0.000 0.000 0.260 322 L C 1.451 178.274 176.870 -0.078 0.000 1.209 322 L CA -0.088 54.656 54.840 -0.160 0.000 0.817 322 L CB 0.391 42.222 42.059 -0.381 0.000 1.106 322 L HN 0.953 nan 8.230 nan 0.000 0.479 323 S N -0.541 115.097 115.700 -0.103 0.000 2.587 323 S HA 0.020 4.490 4.470 0.000 0.000 0.260 323 S C 1.082 175.635 174.600 -0.078 0.000 1.353 323 S CA -0.043 58.117 58.200 -0.068 0.000 0.995 323 S CB 0.907 64.061 63.200 -0.076 0.000 0.912 323 S HN 0.656 nan 8.310 nan 0.000 0.568 324 T N 1.424 115.948 114.554 -0.050 0.000 2.788 324 T HA -0.078 4.272 4.350 0.000 0.000 0.268 324 T C 1.504 176.170 174.700 -0.055 0.000 1.044 324 T CA 1.878 63.953 62.100 -0.042 0.000 1.139 324 T CB -0.553 68.301 68.868 -0.023 0.000 0.867 324 T HN 0.726 nan 8.240 nan 0.000 0.454 325 E N 0.918 121.077 120.200 -0.069 0.000 2.047 325 E HA 0.027 4.377 4.350 0.000 0.000 0.191 325 E C 2.495 179.023 176.600 -0.119 0.000 0.987 325 E CA 0.733 57.088 56.400 -0.074 0.000 0.799 325 E CB -0.145 29.513 29.700 -0.070 0.000 0.752 325 E HN 0.317 nan 8.360 nan 0.000 0.449 326 R N 0.194 120.579 120.500 -0.191 0.000 2.083 326 R HA -0.097 4.243 4.340 0.000 0.000 0.237 326 R C 2.401 178.588 176.300 -0.188 0.000 1.137 326 R CA 1.390 57.322 56.100 -0.279 0.000 0.951 326 R CB -0.521 29.504 30.300 -0.458 0.000 0.851 326 R HN 0.237 nan 8.270 nan 0.000 0.434 327 I N 0.492 120.980 120.570 -0.136 0.000 2.208 327 I HA -0.297 3.874 4.170 0.000 0.000 0.245 327 I C 2.287 178.379 176.117 -0.042 0.000 1.097 327 I CA 1.295 62.551 61.300 -0.073 0.000 1.363 327 I CB -0.306 37.666 38.000 -0.046 0.000 1.051 327 I HN 0.102 nan 8.210 nan 0.000 0.413 328 S N 0.880 116.557 115.700 -0.038 0.000 2.359 328 S HA -0.216 4.254 4.470 0.000 0.000 0.224 328 S C 2.239 176.841 174.600 0.002 0.000 1.035 328 S CA 1.521 59.713 58.200 -0.013 0.000 1.018 328 S CB -0.461 62.734 63.200 -0.008 0.000 0.876 328 S HN 0.573 nan 8.310 nan 0.000 0.448 329 A N 2.478 125.297 122.820 -0.003 0.000 1.872 329 A HA -0.028 4.292 4.320 0.000 0.000 0.214 329 A C 2.264 179.883 177.584 0.058 0.000 1.187 329 A CA 1.610 53.675 52.037 0.045 0.000 0.614 329 A CB -0.767 18.261 19.000 0.047 0.000 0.826 329 A HN 0.656 nan 8.150 nan 0.000 0.442 330 M N -1.130 118.481 119.600 0.019 0.000 2.213 330 M HA -0.205 4.275 4.480 0.000 0.000 0.263 330 M C 1.943 178.263 176.300 0.033 0.000 1.062 330 M CA 2.202 57.525 55.300 0.038 0.000 1.105 330 M CB -0.628 31.981 32.600 0.015 0.000 1.385 330 M HN 0.418 nan 8.290 nan 0.000 0.417 331 Q N 1.030 120.840 119.800 0.017 0.000 1.990 331 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 331 Q C 2.532 178.538 176.000 0.010 0.000 0.980 331 Q CA 1.869 57.679 55.803 0.013 0.000 0.832 331 Q CB -0.342 28.400 28.738 0.007 0.000 0.897 331 Q HN 0.751 nan 8.270 nan 0.000 0.427 332 A N 0.564 123.393 122.820 0.015 0.000 1.873 332 A HA 0.054 4.374 4.320 0.000 0.000 0.218 332 A C 1.172 178.757 177.584 0.002 0.000 1.193 332 A CA 1.544 53.587 52.037 0.011 0.000 0.629 332 A CB -1.224 17.790 19.000 0.024 0.000 0.826 332 A HN 0.537 nan 8.150 nan 0.000 0.447 333 G N -1.924 106.894 108.800 0.030 0.000 2.758 333 G HA2 0.063 4.024 3.960 0.000 0.000 0.686 333 G HA3 0.063 4.024 3.960 0.000 0.000 0.686 333 G C -0.264 174.643 174.900 0.011 0.000 1.389 333 G CA 0.184 45.289 45.100 0.008 0.000 0.845 333 G HN 1.923 nan 8.290 nan 0.000 0.572 334 H N -1.650 117.431 119.070 0.018 0.000 2.546 334 H HA 0.635 5.191 4.556 0.000 0.000 0.365 334 H C 1.632 176.876 175.328 -0.140 0.000 1.220 334 H CA -0.004 55.955 56.048 -0.148 0.000 1.386 334 H CB 1.275 30.834 29.762 -0.337 0.000 1.510 334 H HN 1.427 nan 8.280 nan 0.000 0.591 335 V N -1.242 118.683 119.914 0.018 0.000 3.650 335 V HA 0.144 4.264 4.120 0.000 0.000 0.271 335 V C 0.850 176.903 176.094 -0.069 0.000 1.281 335 V CA 0.409 62.675 62.300 -0.057 0.000 1.120 335 V CB -0.303 31.482 31.823 -0.063 0.000 0.856 335 V HN 0.684 nan 8.190 nan 0.000 0.443 336 S N 2.237 117.962 115.700 0.041 0.000 2.414 336 S HA 0.400 4.870 4.470 0.000 0.000 0.290 336 S C 0.381 174.861 174.600 -0.199 0.000 1.160 336 S CA -0.328 57.737 58.200 -0.225 0.000 1.069 336 S CB -0.007 62.806 63.200 -0.645 0.000 1.012 336 S HN 0.452 nan 8.310 nan 0.000 0.510 337 M N 4.469 123.969 119.600 -0.167 0.000 2.972 337 M HA 0.198 4.678 4.480 0.000 0.000 0.323 337 M C 0.300 176.656 176.300 0.094 0.000 1.213 337 M CA -0.544 54.711 55.300 -0.074 0.000 0.935 337 M CB -0.874 31.592 32.600 -0.223 0.000 1.289 337 M HN 0.668 nan 8.290 nan 0.000 0.525 338 C N 1.961 121.234 119.300 -0.045 0.000 2.611 338 C HA 0.274 4.734 4.460 0.000 0.000 0.416 338 C C 0.822 175.979 174.990 0.278 0.000 1.366 338 C CA 0.761 59.849 59.018 0.116 0.000 1.761 338 C CB -0.172 27.589 27.740 0.034 0.000 2.619 338 C HN 0.623 nan 8.230 nan 0.000 0.606 339 T N 6.414 121.114 114.554 0.243 0.000 2.795 339 T HA 0.364 4.714 4.350 0.000 0.000 0.282 339 T C -0.428 174.373 174.700 0.169 0.000 0.980 339 T CA -0.275 61.916 62.100 0.152 0.000 1.012 339 T CB 0.760 69.576 68.868 -0.087 0.000 0.936 339 T HN 0.754 nan 8.240 nan 0.000 0.457 340 K N 3.606 124.099 120.400 0.154 0.000 2.535 340 K HA 0.535 4.855 4.320 0.000 0.000 0.253 340 K C -1.678 174.879 176.600 -0.072 0.000 0.953 340 K CA -0.506 55.764 56.287 -0.028 0.000 0.863 340 K CB 1.257 33.855 32.500 0.165 0.000 1.111 340 K HN 0.366 nan 8.250 nan 0.000 0.431 341 V N 5.263 125.052 119.914 -0.209 0.000 2.409 341 V HA 0.294 4.414 4.120 0.000 0.000 0.291 341 V C -0.248 175.792 176.094 -0.091 0.000 1.020 341 V CA -0.878 61.379 62.300 -0.071 0.000 0.848 341 V CB 1.338 33.096 31.823 -0.108 0.000 0.990 341 V HN 0.710 nan 8.190 nan 0.000 0.430 342 H N 3.289 122.499 119.070 0.233 0.000 2.525 342 H HA 0.679 5.235 4.556 0.000 0.000 0.339 342 H C 0.050 175.551 175.328 0.289 0.000 1.109 342 H CA -0.128 56.125 56.048 0.342 0.000 1.352 342 H CB 1.961 31.995 29.762 0.454 0.000 1.461 342 H HN 0.735 nan 8.280 nan 0.000 0.533 343 A N 3.154 126.225 122.820 0.419 0.000 2.357 343 A HA 0.213 4.533 4.320 0.000 0.000 0.295 343 A C -0.063 177.691 177.584 0.283 0.000 1.121 343 A CA -0.740 51.469 52.037 0.288 0.000 0.742 343 A CB 0.947 20.047 19.000 0.166 0.000 1.181 343 A HN 0.797 nan 8.150 nan 0.000 0.454 344 E N 2.335 122.687 120.200 0.253 0.000 2.105 344 E HA 0.433 4.783 4.350 0.000 0.000 0.285 344 E C -0.101 176.570 176.600 0.119 0.000 1.055 344 E CA -0.352 56.150 56.400 0.170 0.000 0.843 344 E CB 0.623 30.421 29.700 0.164 0.000 1.067 344 E HN 0.684 nan 8.360 nan 0.000 0.398 345 V N 1.653 121.590 119.914 0.039 0.000 3.177 345 V HA 0.458 4.578 4.120 0.000 0.000 0.319 345 V C 0.164 176.284 176.094 0.043 0.000 1.125 345 V CA -0.493 61.828 62.300 0.035 0.000 1.029 345 V CB 1.871 33.561 31.823 -0.222 0.000 1.119 345 V HN 0.715 nan 8.190 nan 0.000 0.452 346 D N -0.285 120.174 120.400 0.098 0.000 2.402 346 D HA 0.104 4.744 4.640 0.000 0.000 0.216 346 D C 0.194 176.535 176.300 0.068 0.000 1.128 346 D CA -0.048 53.999 54.000 0.080 0.000 0.833 346 D CB -0.370 40.487 40.800 0.094 0.000 0.971 346 D HN 0.509 nan 8.370 nan 0.000 0.503 347 N N 1.591 120.325 118.700 0.056 0.000 2.500 347 N HA 0.098 4.838 4.740 0.000 0.000 0.236 347 N C 0.607 176.120 175.510 0.005 0.000 1.022 347 N CA -0.153 52.920 53.050 0.039 0.000 0.935 347 N CB 0.959 39.481 38.487 0.060 0.000 1.147 347 N HN 0.001 nan 8.380 nan 0.000 0.512 348 K N 1.279 121.691 120.400 0.021 0.000 2.211 348 K HA -0.088 4.232 4.320 0.000 0.000 0.204 348 K C 0.237 176.857 176.600 0.033 0.000 1.047 348 K CA 1.041 57.342 56.287 0.023 0.000 0.935 348 K CB 0.332 32.849 32.500 0.029 0.000 0.728 348 K HN 0.473 nan 8.250 nan 0.000 0.452 349 D N 0.303 120.723 120.400 0.033 0.000 2.363 349 D HA -0.036 4.604 4.640 0.000 0.000 0.226 349 D C 1.202 177.539 176.300 0.060 0.000 1.020 349 D CA 0.824 54.850 54.000 0.044 0.000 0.892 349 D CB 0.161 40.981 40.800 0.033 0.000 0.900 349 D HN 0.241 nan 8.370 nan 0.000 0.531 350 M N -0.322 119.305 119.600 0.044 0.000 2.495 350 M HA 0.072 4.552 4.480 0.000 0.000 0.237 350 M C 1.686 178.088 176.300 0.170 0.000 1.131 350 M CA -0.133 55.213 55.300 0.077 0.000 1.032 350 M CB 0.464 32.990 32.600 -0.123 0.000 1.513 350 M HN -0.223 nan 8.290 nan 0.000 0.488 351 R N 1.474 122.056 120.500 0.136 0.000 2.154 351 R HA -0.142 4.198 4.340 0.000 0.000 0.248 351 R C 1.550 178.017 176.300 0.277 0.000 1.155 351 R CA 2.188 58.388 56.100 0.166 0.000 0.979 351 R CB -0.445 29.932 30.300 0.128 0.000 0.869 351 R HN 0.375 nan 8.270 nan 0.000 0.452 352 S N -2.338 113.562 115.700 0.333 0.000 2.575 352 S HA 0.137 4.607 4.470 0.000 0.000 0.237 352 S C -0.193 174.732 174.600 0.543 0.000 0.975 352 S CA -0.904 57.590 58.200 0.491 0.000 0.960 352 S CB -0.334 63.119 63.200 0.421 0.000 0.822 352 S HN 0.409 nan 8.310 nan 0.000 0.472 353 W N 3.257 124.721 121.300 0.274 0.000 2.381 353 W HA 0.612 5.272 4.660 0.000 0.000 0.329 353 W C -0.327 176.430 176.519 0.396 0.000 1.157 353 W CA -0.092 57.421 57.345 0.280 0.000 1.240 353 W CB 1.364 30.925 29.460 0.168 0.000 1.199 353 W HN 0.183 nan 8.180 nan 0.000 0.579 354 T N 2.432 116.798 114.554 -0.314 0.000 2.903 354 T HA 0.835 5.185 4.350 0.000 0.000 0.299 354 T C -0.583 173.337 174.700 -1.300 0.000 1.093 354 T CA -0.667 61.099 62.100 -0.558 0.000 1.002 354 T CB 1.482 70.407 68.868 0.095 0.000 1.127 354 T HN 0.966 nan 8.240 nan 0.000 0.488 355 G N 0.611 108.712 108.800 -1.165 0.000 2.706 355 G HA2 0.690 4.650 3.960 0.000 0.000 0.297 355 G HA3 0.690 4.650 3.960 0.000 0.000 0.297 355 G C -1.673 173.065 174.900 -0.270 0.000 1.403 355 G CA -0.895 43.732 45.100 -0.788 0.000 0.954 355 G HN 0.917 nan 8.290 nan 0.000 0.500 356 I N 0.926 121.387 120.570 -0.182 0.000 2.499 356 I HA 0.594 4.764 4.170 0.000 0.000 0.288 356 I C -0.148 175.975 176.117 0.010 0.000 1.048 356 I CA -0.949 60.347 61.300 -0.006 0.000 1.062 356 I CB 2.319 40.395 38.000 0.128 0.000 1.238 356 I HN 0.638 nan 8.210 nan 0.000 0.426 357 A N 6.669 129.521 122.820 0.053 0.000 2.340 357 A HA 0.751 5.071 4.320 0.000 0.000 0.297 357 A C -1.612 175.887 177.584 -0.142 0.000 1.195 357 A CA -0.400 51.600 52.037 -0.061 0.000 0.769 357 A CB 0.763 19.664 19.000 -0.166 0.000 1.163 357 A HN 0.675 nan 8.150 nan 0.000 0.472 358 Y N 4.388 124.572 120.300 -0.193 0.000 2.474 358 Y HA 0.522 5.072 4.550 0.000 0.000 0.326 358 Y C -2.491 173.450 175.900 0.067 0.000 1.160 358 Y CA -1.217 56.823 58.100 -0.099 0.000 1.056 358 Y CB 2.441 40.891 38.460 -0.015 0.000 1.330 358 Y HN 0.436 nan 8.280 nan 0.000 0.447 359 P HA 0.005 nan 4.420 nan 0.000 0.251 359 P C 1.108 178.171 177.300 -0.394 0.000 1.223 359 P CA 0.551 63.046 63.100 -1.008 0.000 0.796 359 P CB -0.213 30.950 31.700 -0.896 0.000 1.068 360 F N -0.496 119.340 119.950 -0.190 0.000 2.293 360 F HA 0.089 4.616 4.527 0.000 0.000 0.300 360 F C 0.560 176.329 175.800 -0.053 0.000 1.086 360 F CA -0.100 57.839 58.000 -0.102 0.000 1.375 360 F CB -1.448 37.510 39.000 -0.070 0.000 1.045 360 F HN -0.220 nan 8.300 nan 0.000 0.516 361 N N 0.837 119.063 118.700 -0.790 0.000 2.492 361 N HA 0.207 4.947 4.740 0.000 0.000 0.289 361 N C 0.359 175.746 175.510 -0.204 0.000 1.133 361 N CA -0.510 52.246 53.050 -0.489 0.000 0.961 361 N CB 1.326 39.414 38.487 -0.665 0.000 1.186 361 N HN 0.074 nan 8.380 nan 0.000 0.493 362 K N 0.785 121.119 120.400 -0.111 0.000 2.418 362 K HA 0.194 4.515 4.320 0.000 0.000 0.195 362 K C -0.236 176.335 176.600 -0.049 0.000 1.035 362 K CA 0.595 56.837 56.287 -0.075 0.000 1.003 362 K CB 0.156 32.604 32.500 -0.086 0.000 0.793 362 K HN 0.368 nan 8.250 nan 0.000 0.494 363 L N 0.687 121.892 121.223 -0.030 0.000 2.325 363 L HA 0.204 4.544 4.340 0.000 0.000 0.281 363 L C 0.642 177.564 176.870 0.087 0.000 1.004 363 L CA -0.844 54.026 54.840 0.050 0.000 0.823 363 L CB 1.613 43.706 42.059 0.057 0.000 1.236 363 L HN 0.175 nan 8.230 nan 0.000 0.415 364 C N 1.314 120.725 119.300 0.186 0.000 3.183 364 C HA 0.364 4.824 4.460 0.000 0.000 0.285 364 C C -0.077 175.106 174.990 0.322 0.000 1.313 364 C CA -0.580 58.564 59.018 0.209 0.000 1.711 364 C CB -0.858 27.041 27.740 0.266 0.000 2.135 364 C HN 0.697 nan 8.230 nan 0.000 0.651 365 Y N 1.004 121.448 120.300 0.239 0.000 2.348 365 Y HA 0.619 5.169 4.550 0.000 0.000 0.321 365 Y C -0.759 175.378 175.900 0.395 0.000 1.163 365 Y CA -0.249 58.020 58.100 0.281 0.000 1.070 365 Y CB 1.007 39.615 38.460 0.247 0.000 1.250 365 Y HN 0.441 nan 8.280 nan 0.000 0.425 366 A N 6.131 129.158 122.820 0.345 0.000 2.572 366 A HA 0.893 5.213 4.320 0.000 0.000 0.295 366 A C -1.702 176.056 177.584 0.290 0.000 1.072 366 A CA -0.573 51.732 52.037 0.447 0.000 0.691 366 A CB 1.338 20.671 19.000 0.555 0.000 1.291 366 A HN 0.970 nan 8.150 nan 0.000 0.404 367 I N -1.028 119.778 120.570 0.393 0.000 2.769 367 I HA 0.818 4.989 4.170 0.000 0.000 0.298 367 I C 0.284 176.588 176.117 0.312 0.000 1.128 367 I CA -1.032 60.457 61.300 0.315 0.000 1.031 367 I CB 2.225 40.352 38.000 0.212 0.000 1.235 367 I HN 0.778 nan 8.210 nan 0.000 0.423 368 G N 1.937 110.958 108.800 0.368 0.000 2.334 368 G HA2 0.203 4.163 3.960 0.000 0.000 0.261 368 G HA3 0.203 4.163 3.960 0.000 0.000 0.261 368 G C -0.251 174.682 174.900 0.054 0.000 1.257 368 G CA 0.156 45.383 45.100 0.213 0.000 0.935 368 G HN 0.940 nan 8.290 nan 0.000 0.480 369 D N 0.624 120.991 120.400 -0.055 0.000 2.500 369 D HA 0.354 4.994 4.640 0.000 0.000 0.218 369 D C 0.957 177.319 176.300 0.104 0.000 1.140 369 D CA 0.827 54.792 54.000 -0.058 0.000 0.830 369 D CB 0.547 41.242 40.800 -0.176 0.000 1.055 369 D HN 0.804 nan 8.370 nan 0.000 0.512 370 G N -1.414 107.457 108.800 0.119 0.000 2.313 370 G HA2 0.382 4.342 3.960 0.000 0.000 0.296 370 G HA3 0.382 4.342 3.960 0.000 0.000 0.296 370 G C -1.316 173.621 174.900 0.063 0.000 1.356 370 G CA -0.659 44.564 45.100 0.205 0.000 0.833 370 G HN -0.091 nan 8.290 nan 0.000 0.552 371 T N 0.946 115.520 114.554 0.033 0.000 2.881 371 T HA 0.647 4.997 4.350 0.000 0.000 0.290 371 T C 0.411 175.027 174.700 -0.140 0.000 1.000 371 T CA 0.085 62.150 62.100 -0.059 0.000 0.978 371 T CB 1.376 70.253 68.868 0.016 0.000 0.997 371 T HN 1.129 nan 8.240 nan 0.000 0.443 372 T N 1.344 115.739 114.554 -0.266 0.000 2.913 372 T HA 0.257 4.607 4.350 0.000 0.000 0.297 372 T C -1.738 172.949 174.700 -0.022 0.000 1.029 372 T CA -1.541 60.428 62.100 -0.217 0.000 1.104 372 T CB 0.626 69.361 68.868 -0.222 0.000 0.964 372 T HN 0.129 nan 8.240 nan 0.000 0.532 373 P HA -0.078 nan 4.420 nan 0.000 0.218 373 P C 1.328 178.644 177.300 0.027 0.000 1.146 373 P CA 1.248 64.376 63.100 0.046 0.000 0.820 373 P CB -0.233 31.501 31.700 0.057 0.000 0.778 374 A N -1.146 121.684 122.820 0.017 0.000 2.235 374 A HA 0.344 4.664 4.320 0.000 0.000 0.208 374 A C 1.661 179.251 177.584 0.009 0.000 1.172 374 A CA 0.931 52.976 52.037 0.014 0.000 0.786 374 A CB -1.262 17.747 19.000 0.015 0.000 0.804 374 A HN 0.264 nan 8.150 nan 0.000 0.479 375 G N -0.816 107.986 108.800 0.003 0.000 2.132 375 G HA2 -0.210 3.750 3.960 0.000 0.000 0.228 375 G HA3 -0.210 3.750 3.960 0.000 0.000 0.228 375 G C -0.210 174.690 174.900 -0.000 0.000 1.000 375 G CA 0.091 45.195 45.100 0.006 0.000 0.693 375 G HN 0.505 nan 8.290 nan 0.000 0.515 376 N N 0.039 118.729 118.700 -0.018 0.000 2.477 376 N HA 0.539 5.279 4.740 0.000 0.000 0.284 376 N C -0.031 175.455 175.510 -0.041 0.000 1.182 376 N CA -0.099 52.940 53.050 -0.017 0.000 0.949 376 N CB 1.017 39.499 38.487 -0.007 0.000 1.204 376 N HN 0.070 nan 8.380 nan 0.000 0.526 377 T N 0.271 114.810 114.554 -0.026 0.000 2.856 377 T HA 0.066 4.416 4.350 0.000 0.000 0.292 377 T C -0.045 174.655 174.700 0.000 0.000 0.980 377 T CA -0.166 61.919 62.100 -0.024 0.000 1.091 377 T CB 0.132 68.979 68.868 -0.036 0.000 0.936 377 T HN 0.351 nan 8.240 nan 0.000 0.503 378 H N 4.390 123.394 119.070 -0.111 0.000 2.541 378 H HA 0.466 5.022 4.556 0.000 0.000 0.316 378 H C -1.009 174.350 175.328 0.052 0.000 1.043 378 H CA -0.921 55.086 56.048 -0.067 0.000 1.232 378 H CB 0.479 30.093 29.762 -0.247 0.000 1.406 378 H HN 0.401 nan 8.280 nan 0.000 0.469 379 L N 6.116 127.365 121.223 0.043 0.000 2.309 379 L HA 0.310 4.650 4.340 0.000 0.000 0.282 379 L C -0.103 176.761 176.870 -0.011 0.000 1.036 379 L CA -1.004 53.815 54.840 -0.034 0.000 0.806 379 L CB 1.878 43.915 42.059 -0.036 0.000 1.220 379 L HN 0.378 nan 8.230 nan 0.000 0.429 380 V N 3.310 123.190 119.914 -0.057 0.000 2.435 380 V HA 0.502 4.622 4.120 0.000 0.000 0.290 380 V C -0.475 175.623 176.094 0.006 0.000 1.030 380 V CA -0.240 62.034 62.300 -0.043 0.000 0.881 380 V CB 1.322 33.146 31.823 0.003 0.000 0.983 380 V HN 0.930 nan 8.190 nan 0.000 0.445 381 C N 6.594 125.778 119.300 -0.192 0.000 2.507 381 C HA 0.746 5.206 4.460 0.000 0.000 0.319 381 C C -0.619 174.193 174.990 -0.298 0.000 1.208 381 C CA -0.964 58.029 59.018 -0.041 0.000 1.619 381 C CB 0.801 28.577 27.740 0.061 0.000 2.230 381 C HN 0.794 nan 8.230 nan 0.000 0.492 382 F N 0.864 120.955 119.950 0.236 0.000 2.551 382 F HA 0.737 5.265 4.527 0.000 0.000 0.316 382 F C 0.670 176.571 175.800 0.168 0.000 1.089 382 F CA -0.185 57.943 58.000 0.213 0.000 0.915 382 F CB 1.988 41.137 39.000 0.249 0.000 1.186 382 F HN 0.823 nan 8.300 nan 0.000 0.456 383 G N 0.056 109.029 108.800 0.288 0.000 2.658 383 G HA2 0.700 4.660 3.960 0.000 0.000 0.292 383 G HA3 0.700 4.660 3.960 0.000 0.000 0.292 383 G C -1.140 173.878 174.900 0.196 0.000 1.320 383 G CA -0.712 44.496 45.100 0.179 0.000 0.933 383 G HN 0.716 nan 8.290 nan 0.000 0.476 384 T N -2.944 111.711 114.554 0.168 0.000 2.742 384 T HA 0.407 4.757 4.350 0.000 0.000 0.282 384 T C 0.205 175.038 174.700 0.222 0.000 1.025 384 T CA -0.287 61.919 62.100 0.177 0.000 1.020 384 T CB 1.912 70.856 68.868 0.127 0.000 1.317 384 T HN 0.212 nan 8.240 nan 0.000 0.538 385 D N -0.127 120.359 120.400 0.144 0.000 2.350 385 D HA 0.088 4.728 4.640 0.000 0.000 0.216 385 D C 2.135 178.475 176.300 0.067 0.000 0.968 385 D CA 1.160 55.204 54.000 0.074 0.000 0.894 385 D CB -0.461 40.303 40.800 -0.060 0.000 0.909 385 D HN 0.680 nan 8.370 nan 0.000 0.520 386 A N 0.088 122.957 122.820 0.081 0.000 1.940 386 A HA -0.153 4.167 4.320 0.000 0.000 0.219 386 A C 1.224 178.840 177.584 0.052 0.000 1.176 386 A CA 1.252 53.334 52.037 0.075 0.000 0.631 386 A CB -0.043 19.041 19.000 0.140 0.000 0.814 386 A HN 0.231 nan 8.150 nan 0.000 0.446 387 N N -0.970 117.773 118.700 0.071 0.000 2.839 387 N HA 0.075 4.815 4.740 0.000 0.000 0.230 387 N C -1.485 174.062 175.510 0.062 0.000 1.388 387 N CA -0.393 52.681 53.050 0.041 0.000 0.747 387 N CB 0.087 38.564 38.487 -0.016 0.000 1.411 387 N HN 0.441 nan 8.380 nan 0.000 0.556 388 H N 2.729 121.790 119.070 -0.015 0.000 2.487 388 H HA 0.473 5.029 4.556 0.000 0.000 0.333 388 H C -0.617 174.692 175.328 -0.032 0.000 1.114 388 H CA -0.180 55.858 56.048 -0.016 0.000 1.310 388 H CB 1.597 31.348 29.762 -0.018 0.000 1.462 388 H HN 0.470 nan 8.280 nan 0.000 0.516 389 I N 3.786 124.021 120.570 -0.558 0.000 2.608 389 I HA 0.122 4.292 4.170 0.000 0.000 0.295 389 I C -0.868 174.922 176.117 -0.546 0.000 1.049 389 I CA -0.804 60.259 61.300 -0.395 0.000 1.063 389 I CB 1.890 39.724 38.000 -0.276 0.000 1.248 389 I HN 0.536 nan 8.210 nan 0.000 0.424 390 Q N 8.517 128.167 119.800 -0.249 0.000 2.377 390 Q HA 0.265 4.605 4.340 0.000 0.000 0.249 390 Q C -1.975 173.865 176.000 -0.267 0.000 1.005 390 Q CA -1.863 53.836 55.803 -0.174 0.000 0.912 390 Q CB 1.335 30.051 28.738 -0.038 0.000 1.223 390 Q HN 0.477 nan 8.270 nan 0.000 0.459 391 P HA -0.211 nan 4.420 nan 0.000 0.218 391 P C 0.741 177.674 177.300 -0.613 0.000 1.148 391 P CA 1.353 64.022 63.100 -0.718 0.000 0.822 391 P CB 0.247 31.148 31.700 -1.332 0.000 0.784 392 D N 0.297 120.492 120.400 -0.342 0.000 2.269 392 D HA -0.162 4.478 4.640 0.000 0.000 0.208 392 D C 1.487 177.672 176.300 -0.192 0.000 0.963 392 D CA 0.858 54.699 54.000 -0.266 0.000 0.864 392 D CB -0.477 40.018 40.800 -0.508 0.000 0.936 392 D HN 0.274 nan 8.370 nan 0.000 0.505 393 E N 0.013 120.124 120.200 -0.149 0.000 2.112 393 E HA -0.047 4.303 4.350 0.000 0.000 0.190 393 E C 0.121 176.671 176.600 -0.083 0.000 0.979 393 E CA 0.709 57.054 56.400 -0.091 0.000 0.814 393 E CB 0.291 29.948 29.700 -0.071 0.000 0.762 393 E HN 0.112 nan 8.360 nan 0.000 0.460 394 D N -0.258 120.076 120.400 -0.111 0.000 2.323 394 D HA 0.075 4.715 4.640 0.000 0.000 0.242 394 D C 0.420 176.630 176.300 -0.149 0.000 1.347 394 D CA -0.220 53.720 54.000 -0.100 0.000 0.988 394 D CB 1.583 42.333 40.800 -0.083 0.000 1.314 394 D HN -0.223 nan 8.370 nan 0.000 0.564 395 V N 4.173 123.989 119.914 -0.163 0.000 2.594 395 V HA -0.151 3.970 4.120 0.000 0.000 0.253 395 V C 2.545 178.425 176.094 -0.356 0.000 1.069 395 V CA 1.649 63.775 62.300 -0.289 0.000 1.082 395 V CB -0.349 31.244 31.823 -0.384 0.000 0.680 395 V HN 0.499 nan 8.190 nan 0.000 0.469 396 R N -0.001 120.350 120.500 -0.249 0.000 2.073 396 R HA -0.161 4.179 4.340 0.000 0.000 0.234 396 R C 2.330 178.534 176.300 -0.159 0.000 1.134 396 R CA 1.590 57.576 56.100 -0.190 0.000 0.952 396 R CB -0.146 30.088 30.300 -0.109 0.000 0.850 396 R HN 0.423 nan 8.270 nan 0.000 0.433 397 E N -0.032 120.084 120.200 -0.140 0.000 2.118 397 E HA -0.143 4.207 4.350 0.000 0.000 0.195 397 E C 1.953 178.462 176.600 -0.153 0.000 0.992 397 E CA 1.790 58.116 56.400 -0.124 0.000 0.804 397 E CB -0.396 29.237 29.700 -0.111 0.000 0.741 397 E HN 0.418 nan 8.360 nan 0.000 0.458 398 T N 1.854 116.282 114.554 -0.210 0.000 2.674 398 T HA -0.095 4.255 4.350 0.000 0.000 0.265 398 T C 2.195 176.778 174.700 -0.196 0.000 1.039 398 T CA 0.968 62.922 62.100 -0.244 0.000 1.150 398 T CB -0.316 68.347 68.868 -0.342 0.000 0.864 398 T HN 0.089 nan 8.240 nan 0.000 0.427 399 L N 0.817 121.899 121.223 -0.234 0.000 2.083 399 L HA -0.095 4.245 4.340 0.000 0.000 0.209 399 L C 2.690 179.493 176.870 -0.112 0.000 1.083 399 L CA 1.319 56.046 54.840 -0.187 0.000 0.752 399 L CB -0.522 41.368 42.059 -0.282 0.000 0.899 399 L HN 0.229 nan 8.230 nan 0.000 0.433 400 K N 0.592 120.926 120.400 -0.110 0.000 2.009 400 K HA -0.229 4.091 4.320 0.000 0.000 0.210 400 K C 2.186 178.765 176.600 -0.035 0.000 1.049 400 K CA 1.586 57.832 56.287 -0.068 0.000 0.929 400 K CB -0.170 32.294 32.500 -0.060 0.000 0.714 400 K HN 0.252 nan 8.250 nan 0.000 0.440 401 A N 0.737 123.529 122.820 -0.046 0.000 1.883 401 A HA -0.128 4.192 4.320 0.000 0.000 0.217 401 A C 2.285 179.884 177.584 0.026 0.000 1.186 401 A CA 1.829 53.853 52.037 -0.023 0.000 0.624 401 A CB -0.772 18.191 19.000 -0.063 0.000 0.822 401 A HN 0.203 nan 8.150 nan 0.000 0.444 402 V N -0.001 119.931 119.914 0.029 0.000 2.233 402 V HA -0.223 3.897 4.120 0.000 0.000 0.247 402 V C 2.888 179.096 176.094 0.191 0.000 1.050 402 V CA 2.129 64.508 62.300 0.131 0.000 1.010 402 V CB -1.645 30.265 31.823 0.146 0.000 0.637 402 V HN 0.621 nan 8.190 nan 0.000 0.444 403 G N -0.987 107.837 108.800 0.040 0.000 2.505 403 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 403 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 403 G C 1.403 176.275 174.900 -0.048 0.000 1.145 403 G CA 0.913 45.920 45.100 -0.154 0.000 0.761 403 G HN 0.598 nan 8.290 nan 0.000 0.571 404 Q N -0.401 119.434 119.800 0.057 0.000 2.482 404 Q HA 0.224 4.565 4.340 0.000 0.000 0.209 404 Q C 2.287 178.414 176.000 0.212 0.000 0.961 404 Q CA -0.035 55.849 55.803 0.135 0.000 0.945 404 Q CB 0.037 28.889 28.738 0.189 0.000 1.012 404 Q HN 0.474 nan 8.270 nan 0.000 0.515 405 L N -0.524 120.846 121.223 0.245 0.000 2.313 405 L HA 0.023 4.363 4.340 0.000 0.000 0.214 405 L C 0.844 177.992 176.870 0.463 0.000 1.119 405 L CA 0.405 55.474 54.840 0.381 0.000 0.809 405 L CB 0.322 42.694 42.059 0.522 0.000 0.933 405 L HN 0.005 nan 8.230 nan 0.000 0.449 406 A N -0.555 122.446 122.820 0.301 0.000 3.124 406 A HA 0.457 4.777 4.320 0.000 0.000 0.295 406 A C -2.654 174.969 177.584 0.066 0.000 1.199 406 A CA -0.875 51.307 52.037 0.243 0.000 0.845 406 A CB -0.110 18.980 19.000 0.150 0.000 1.381 406 A HN -0.179 nan 8.150 nan 0.000 0.537 407 P HA 0.298 nan 4.420 nan 0.000 0.262 407 P C 1.186 178.451 177.300 -0.059 0.000 1.182 407 P CA 2.194 65.269 63.100 -0.043 0.000 0.761 407 P CB 0.736 32.439 31.700 0.004 0.000 0.795 408 G N 2.394 111.107 108.800 -0.145 0.000 2.143 408 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 408 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 408 G C 0.673 175.532 174.900 -0.069 0.000 0.991 408 G CA 0.640 45.680 45.100 -0.100 0.000 0.689 408 G HN 0.651 nan 8.290 nan 0.000 0.522 409 T N -2.577 111.919 114.554 -0.097 0.000 2.985 409 T HA 0.591 4.941 4.350 0.000 0.000 0.254 409 T C 0.402 175.182 174.700 0.134 0.000 1.021 409 T CA 0.879 63.007 62.100 0.047 0.000 0.957 409 T CB 0.173 69.125 68.868 0.141 0.000 1.047 409 T HN 1.674 nan 8.240 nan 0.000 0.511 410 F N -1.120 118.803 119.950 -0.046 0.000 2.703 410 F HA 0.760 5.287 4.527 0.000 0.000 0.308 410 F C -0.629 175.165 175.800 -0.011 0.000 1.126 410 F CA -1.685 56.292 58.000 -0.038 0.000 0.959 410 F CB 0.774 39.729 39.000 -0.075 0.000 1.297 410 F HN 0.092 nan 8.300 nan 0.000 0.441 411 G N 1.125 110.049 108.800 0.206 0.000 2.400 411 G HA2 0.594 4.554 3.960 0.000 0.000 0.333 411 G HA3 0.594 4.554 3.960 0.000 0.000 0.333 411 G C -1.672 173.417 174.900 0.314 0.000 1.143 411 G CA -1.159 44.038 45.100 0.163 0.000 0.914 411 G HN 0.699 nan 8.290 nan 0.000 0.480 412 V N 1.820 121.915 119.914 0.301 0.000 2.432 412 V HA 0.205 4.325 4.120 0.000 0.000 0.275 412 V C 0.961 177.251 176.094 0.326 0.000 1.043 412 V CA -0.247 62.258 62.300 0.341 0.000 0.925 412 V CB 1.432 33.455 31.823 0.334 0.000 0.985 412 V HN 0.895 nan 8.190 nan 0.000 0.466 413 K N 3.017 123.562 120.400 0.243 0.000 2.211 413 K HA 0.213 4.533 4.320 0.000 0.000 0.201 413 K C 0.837 177.538 176.600 0.169 0.000 1.052 413 K CA 0.484 56.870 56.287 0.164 0.000 0.973 413 K CB 0.414 32.974 32.500 0.100 0.000 0.766 413 K HN 0.562 nan 8.250 nan 0.000 0.466 414 R N 0.540 121.191 120.500 0.252 0.000 2.579 414 R HA 0.279 4.619 4.340 0.000 0.000 0.260 414 R C -1.852 174.625 176.300 0.296 0.000 1.103 414 R CA -0.407 55.834 56.100 0.235 0.000 0.942 414 R CB 0.938 31.288 30.300 0.084 0.000 1.251 414 R HN -0.060 nan 8.270 nan 0.000 0.450 415 L N 3.680 125.129 121.223 0.375 0.000 2.331 415 L HA 0.750 5.090 4.340 0.000 0.000 0.275 415 L C -0.733 176.245 176.870 0.180 0.000 1.022 415 L CA -1.215 53.822 54.840 0.327 0.000 0.812 415 L CB 2.193 44.503 42.059 0.419 0.000 1.257 415 L HN 0.328 nan 8.230 nan 0.000 0.435 416 V N 2.861 122.882 119.914 0.177 0.000 2.668 416 V HA 0.578 4.698 4.120 0.000 0.000 0.304 416 V C -0.992 175.271 176.094 0.282 0.000 1.071 416 V CA -0.566 61.711 62.300 -0.038 0.000 0.894 416 V CB 1.740 33.277 31.823 -0.477 0.000 1.008 416 V HN 0.662 nan 8.190 nan 0.000 0.425 417 F N 1.856 121.890 119.950 0.141 0.000 2.741 417 F HA 0.810 5.337 4.527 0.000 0.000 0.311 417 F C -1.213 174.713 175.800 0.211 0.000 1.149 417 F CA -1.008 57.096 58.000 0.173 0.000 0.930 417 F CB 1.617 40.678 39.000 0.102 0.000 1.312 417 F HN 0.578 nan 8.300 nan 0.000 0.450 418 H N 0.989 120.215 119.070 0.260 0.000 2.589 418 H HA 0.434 4.990 4.556 0.000 0.000 0.351 418 H C -1.539 173.741 175.328 -0.080 0.000 1.074 418 H CA -0.774 55.294 56.048 0.033 0.000 1.203 418 H CB 1.409 31.030 29.762 -0.236 0.000 1.558 418 H HN 0.760 nan 8.280 nan 0.000 0.522 419 N N 4.717 123.119 118.700 -0.496 0.000 2.469 419 N HA -0.003 4.737 4.740 0.000 0.000 0.239 419 N C -0.056 175.188 175.510 -0.444 0.000 1.053 419 N CA -0.225 52.656 53.050 -0.282 0.000 0.937 419 N CB 0.142 38.610 38.487 -0.031 0.000 1.163 419 N HN 0.737 nan 8.380 nan 0.000 0.509 420 W N 2.679 124.027 121.300 0.080 0.000 2.467 420 W HA -0.049 4.611 4.660 0.000 0.000 0.275 420 W C 1.992 178.581 176.519 0.117 0.000 1.239 420 W CA 0.013 57.469 57.345 0.185 0.000 1.266 420 W CB 0.027 29.649 29.460 0.270 0.000 1.112 420 W HN 0.339 nan 8.180 nan 0.000 0.576 421 V N 0.624 120.702 119.914 0.272 0.000 2.358 421 V HA -0.237 3.883 4.120 0.000 0.000 0.246 421 V C 1.890 178.037 176.094 0.088 0.000 1.047 421 V CA 1.753 64.147 62.300 0.158 0.000 1.035 421 V CB -0.602 31.306 31.823 0.142 0.000 0.658 421 V HN 0.112 nan 8.190 nan 0.000 0.452 422 K N -0.291 120.145 120.400 0.060 0.000 2.426 422 K HA 0.005 4.325 4.320 0.000 0.000 0.193 422 K C 0.563 177.160 176.600 -0.004 0.000 1.028 422 K CA -0.041 56.258 56.287 0.020 0.000 1.047 422 K CB 0.035 32.548 32.500 0.022 0.000 0.821 422 K HN 0.346 nan 8.250 nan 0.000 0.513 423 D N 2.012 122.425 120.400 0.021 0.000 2.358 423 D HA -0.061 4.579 4.640 0.000 0.000 0.258 423 D C 0.686 176.992 176.300 0.010 0.000 1.223 423 D CA 0.075 54.099 54.000 0.040 0.000 0.886 423 D CB 0.953 41.872 40.800 0.198 0.000 1.120 423 D HN 0.295 nan 8.370 nan 0.000 0.482 424 E N 2.729 122.806 120.200 -0.205 0.000 2.478 424 E HA -0.138 4.212 4.350 0.000 0.000 0.198 424 E C 0.438 176.850 176.600 -0.314 0.000 1.046 424 E CA 0.730 56.927 56.400 -0.338 0.000 0.870 424 E CB -0.182 29.182 29.700 -0.560 0.000 0.818 424 E HN 0.339 nan 8.360 nan 0.000 0.527 425 F N -0.128 119.912 119.950 0.151 0.000 2.653 425 F HA 0.519 5.046 4.527 0.000 0.000 0.304 425 F C 1.409 177.342 175.800 0.221 0.000 1.092 425 F CA -0.120 57.975 58.000 0.158 0.000 1.279 425 F CB 0.935 40.010 39.000 0.126 0.000 1.044 425 F HN 0.198 nan 8.300 nan 0.000 0.564 426 A N -0.348 122.704 122.820 0.387 0.000 1.852 426 A HA 0.243 4.563 4.320 0.000 0.000 0.205 426 A C 1.096 178.852 177.584 0.287 0.000 1.757 426 A CA -0.108 52.169 52.037 0.399 0.000 1.088 426 A CB 0.239 19.614 19.000 0.626 0.000 1.079 426 A HN 0.046 nan 8.150 nan 0.000 0.524 427 K N -0.211 120.324 120.400 0.225 0.000 3.150 427 K HA -0.088 4.232 4.320 0.000 0.000 0.267 427 K C 0.303 176.945 176.600 0.070 0.000 1.028 427 K CA 0.505 56.862 56.287 0.116 0.000 0.753 427 K CB -2.131 30.410 32.500 0.067 0.000 1.288 427 K HN 1.875 nan 8.250 nan 0.000 0.473 428 G N -1.832 107.064 108.800 0.160 0.000 2.347 428 G HA2 0.375 4.335 3.960 0.000 0.000 0.341 428 G HA3 0.375 4.335 3.960 0.000 0.000 0.341 428 G C -0.877 174.165 174.900 0.237 0.000 1.287 428 G CA -0.293 44.879 45.100 0.119 0.000 0.984 428 G HN 0.495 nan 8.290 nan 0.000 0.526 429 A N -0.877 122.003 122.820 0.100 0.000 3.158 429 A HA 0.884 5.204 4.320 0.000 0.000 0.217 429 A C 0.387 177.897 177.584 -0.123 0.000 1.469 429 A CA 0.236 52.201 52.037 -0.120 0.000 0.885 429 A CB -0.339 18.385 19.000 -0.460 0.000 1.662 429 A HN 2.233 nan 8.150 nan 0.000 0.512 430 W N -1.401 119.886 121.300 -0.021 0.000 2.456 430 W HA 0.226 4.886 4.660 0.000 0.000 0.343 430 W C -0.299 176.100 176.519 -0.200 0.000 1.211 430 W CA -0.567 56.743 57.345 -0.058 0.000 1.353 430 W CB -0.324 29.110 29.460 -0.044 0.000 1.189 430 W HN 0.453 nan 8.180 nan 0.000 0.587 431 F N 4.534 124.363 119.950 -0.202 0.000 2.543 431 F HA 0.320 4.847 4.527 0.000 0.000 0.375 431 F C -0.817 175.027 175.800 0.073 0.000 1.075 431 F CA -0.431 57.272 58.000 -0.494 0.000 1.225 431 F CB 0.039 38.939 39.000 -0.167 0.000 1.099 431 F HN 0.336 nan 8.300 nan 0.000 0.561 432 F N 5.294 124.740 119.950 -0.840 0.000 2.569 432 F HA 0.419 4.946 4.527 0.000 0.000 0.312 432 F C -0.603 174.722 175.800 -0.792 0.000 1.109 432 F CA -0.694 56.968 58.000 -0.563 0.000 0.919 432 F CB 1.619 40.541 39.000 -0.130 0.000 1.211 432 F HN 0.528 nan 8.300 nan 0.000 0.446 433 S N 4.661 119.921 115.700 -0.734 0.000 2.610 433 S HA 0.627 5.097 4.470 0.000 0.000 0.273 433 S C -0.085 174.465 174.600 -0.084 0.000 1.274 433 S CA -0.943 57.019 58.200 -0.397 0.000 1.023 433 S CB 1.297 64.414 63.200 -0.138 0.000 0.962 433 S HN 0.735 nan 8.310 nan 0.000 0.523 434 R N 1.109 121.587 120.500 -0.038 0.000 2.738 434 R HA 0.254 4.594 4.340 0.000 0.000 0.268 434 R C -2.541 173.772 176.300 0.021 0.000 1.062 434 R CA -1.434 54.666 56.100 -0.001 0.000 1.158 434 R CB -0.453 29.850 30.300 0.006 0.000 1.046 434 R HN 0.429 nan 8.270 nan 0.000 0.493 435 P HA -0.039 nan 4.420 nan 0.000 0.263 435 P C 0.452 177.779 177.300 0.044 0.000 1.195 435 P CA 1.097 64.225 63.100 0.046 0.000 0.762 435 P CB 0.583 32.310 31.700 0.045 0.000 0.799 436 G N 3.404 112.235 108.800 0.052 0.000 2.199 436 G HA2 -0.385 3.575 3.960 0.000 0.000 0.254 436 G HA3 -0.385 3.575 3.960 0.000 0.000 0.254 436 G C 0.856 175.804 174.900 0.080 0.000 0.982 436 G CA 0.509 45.645 45.100 0.060 0.000 0.632 436 G HN 0.554 nan 8.290 nan 0.000 0.529 437 M N 0.413 120.063 119.600 0.084 0.000 2.077 437 M HA 0.132 4.612 4.480 0.000 0.000 0.261 437 M C 2.410 178.797 176.300 0.146 0.000 1.070 437 M CA 2.630 57.997 55.300 0.112 0.000 1.125 437 M CB -0.215 32.460 32.600 0.125 0.000 1.339 437 M HN 0.147 nan 8.290 nan 0.000 0.409 438 V N 0.339 120.348 119.914 0.159 0.000 2.343 438 V HA -0.228 3.893 4.120 0.000 0.000 0.247 438 V C 2.464 178.634 176.094 0.126 0.000 1.051 438 V CA 2.078 64.463 62.300 0.142 0.000 1.036 438 V CB -0.830 31.062 31.823 0.114 0.000 0.654 438 V HN 0.598 nan 8.190 nan 0.000 0.451 439 S N -0.569 115.228 115.700 0.162 0.000 2.359 439 S HA -0.319 4.151 4.470 0.000 0.000 0.223 439 S C 2.038 176.807 174.600 0.283 0.000 1.039 439 S CA 2.256 60.628 58.200 0.285 0.000 1.042 439 S CB -0.303 63.061 63.200 0.272 0.000 0.915 439 S HN 0.786 nan 8.310 nan 0.000 0.439 440 E N -0.687 119.613 120.200 0.167 0.000 2.072 440 E HA -0.103 4.247 4.350 0.000 0.000 0.190 440 E C 1.564 178.219 176.600 0.091 0.000 0.982 440 E CA 1.341 57.809 56.400 0.114 0.000 0.803 440 E CB -0.004 29.741 29.700 0.074 0.000 0.755 440 E HN 0.522 nan 8.360 nan 0.000 0.453 441 C N 0.015 119.365 119.300 0.083 0.000 2.935 441 C HA 0.219 4.679 4.460 0.000 0.000 0.308 441 C C 2.184 177.176 174.990 0.003 0.000 1.263 441 C CA -0.615 58.423 59.018 0.033 0.000 1.738 441 C CB -0.538 27.224 27.740 0.036 0.000 2.237 441 C HN 0.478 nan 8.230 nan 0.000 0.600 442 L N 1.769 123.015 121.223 0.039 0.000 1.997 442 L HA -0.253 4.087 4.340 0.000 0.000 0.216 442 L C 2.627 179.493 176.870 -0.007 0.000 1.074 442 L CA 2.177 57.024 54.840 0.011 0.000 0.763 442 L CB -0.836 41.231 42.059 0.014 0.000 0.890 442 L HN 0.432 nan 8.230 nan 0.000 0.434 443 Q N -1.091 118.732 119.800 0.038 0.000 2.061 443 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 443 Q C 2.053 178.028 176.000 -0.041 0.000 0.984 443 Q CA 1.891 57.713 55.803 0.031 0.000 0.846 443 Q CB -0.563 28.224 28.738 0.083 0.000 0.902 443 Q HN 0.655 nan 8.270 nan 0.000 0.421 444 G N 0.890 109.651 108.800 -0.065 0.000 2.442 444 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 444 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 444 G C 1.319 176.063 174.900 -0.260 0.000 1.141 444 G CA 0.729 45.752 45.100 -0.129 0.000 0.763 444 G HN 0.340 nan 8.290 nan 0.000 0.554 445 L N -0.344 120.679 121.223 -0.334 0.000 2.478 445 L HA 0.127 4.468 4.340 0.000 0.000 0.223 445 L C 2.650 179.055 176.870 -0.775 0.000 1.140 445 L CA 0.408 54.838 54.840 -0.683 0.000 0.842 445 L CB 0.045 41.702 42.059 -0.670 0.000 0.953 445 L HN 0.175 nan 8.230 nan 0.000 0.452 446 R N -0.064 120.242 120.500 -0.323 0.000 2.397 446 R HA 0.080 4.420 4.340 0.000 0.000 0.241 446 R C 0.280 176.560 176.300 -0.033 0.000 0.914 446 R CA -0.178 55.857 56.100 -0.109 0.000 1.071 446 R CB 0.088 30.413 30.300 0.041 0.000 1.116 446 R HN 0.419 nan 8.270 nan 0.000 0.524 447 E N 2.480 122.645 120.200 -0.057 0.000 2.415 447 E HA 0.027 4.377 4.350 0.000 0.000 0.262 447 E C -0.480 176.163 176.600 0.071 0.000 1.038 447 E CA -0.317 56.085 56.400 0.002 0.000 0.921 447 E CB 0.884 30.573 29.700 -0.019 0.000 0.950 447 E HN -0.139 nan 8.360 nan 0.000 0.438 448 K N 1.297 121.743 120.400 0.078 0.000 2.414 448 K HA -0.105 4.215 4.320 0.000 0.000 0.272 448 K C -0.224 176.476 176.600 0.168 0.000 0.993 448 K CA 0.067 56.416 56.287 0.104 0.000 0.964 448 K CB 0.397 32.931 32.500 0.057 0.000 0.925 448 K HN 0.684 nan 8.250 nan 0.000 0.487 449 H N 2.580 121.698 119.070 0.080 0.000 2.551 449 H HA 0.138 4.694 4.556 0.000 0.000 0.238 449 H C 0.449 175.806 175.328 0.048 0.000 1.345 449 H CA 0.554 56.656 56.048 0.089 0.000 1.105 449 H CB 0.020 29.918 29.762 0.226 0.000 1.805 449 H HN 1.055 nan 8.280 nan 0.000 0.553 450 G N 0.637 109.377 108.800 -0.100 0.000 2.523 450 G HA2 -0.345 3.615 3.960 0.000 0.000 0.271 450 G HA3 -0.345 3.615 3.960 0.000 0.000 0.271 450 G C 0.994 175.869 174.900 -0.041 0.000 1.146 450 G CA -0.059 44.975 45.100 -0.110 0.000 0.961 450 G HN 0.579 nan 8.290 nan 0.000 0.549 451 G N -0.398 108.383 108.800 -0.031 0.000 3.371 451 G HA2 0.508 4.468 3.960 0.000 0.000 0.248 451 G HA3 0.508 4.468 3.960 0.000 0.000 0.248 451 G C 0.025 174.918 174.900 -0.011 0.000 1.161 451 G CA 1.048 46.143 45.100 -0.009 0.000 0.796 451 G HN 1.224 nan 8.290 nan 0.000 0.539 452 V N 1.277 121.185 119.914 -0.009 0.000 2.384 452 V HA 0.329 4.449 4.120 0.000 0.000 0.287 452 V C -0.299 175.688 176.094 -0.178 0.000 1.020 452 V CA -0.753 61.485 62.300 -0.102 0.000 0.850 452 V CB 1.850 33.612 31.823 -0.101 0.000 0.987 452 V HN -0.044 nan 8.190 nan 0.000 0.436 453 V N 5.731 125.524 119.914 -0.202 0.000 2.364 453 V HA 0.416 4.536 4.120 0.000 0.000 0.272 453 V C -0.378 175.605 176.094 -0.185 0.000 1.036 453 V CA -0.373 61.861 62.300 -0.110 0.000 0.880 453 V CB 0.907 32.713 31.823 -0.030 0.000 0.991 453 V HN 0.632 nan 8.190 nan 0.000 0.460 454 F N 3.642 123.663 119.950 0.118 0.000 2.404 454 F HA 0.671 5.198 4.527 0.000 0.000 0.358 454 F C 0.595 176.684 175.800 0.482 0.000 1.120 454 F CA -0.240 57.898 58.000 0.231 0.000 1.144 454 F CB 1.284 40.281 39.000 -0.005 0.000 1.133 454 F HN 0.547 nan 8.300 nan 0.000 0.495 455 A N 4.645 127.838 122.820 0.620 0.000 2.414 455 A HA 0.633 4.953 4.320 0.000 0.000 0.286 455 A C -1.096 176.472 177.584 -0.027 0.000 1.073 455 A CA -0.560 51.685 52.037 0.347 0.000 0.727 455 A CB 1.203 20.297 19.000 0.156 0.000 1.215 455 A HN 0.685 nan 8.150 nan 0.000 0.430 456 N N 1.121 119.435 118.700 -0.643 0.000 2.598 456 N HA 0.153 4.893 4.740 0.000 0.000 0.263 456 N C 0.745 175.770 175.510 -0.809 0.000 1.254 456 N CA 0.192 52.745 53.050 -0.828 0.000 0.863 456 N CB 2.301 40.051 38.487 -1.228 0.000 1.586 456 N HN 0.412 nan 8.380 nan 0.000 0.491 457 S N 1.153 116.603 115.700 -0.417 0.000 2.407 457 S HA -0.171 4.299 4.470 0.000 0.000 0.235 457 S C 0.750 175.145 174.600 -0.341 0.000 1.036 457 S CA 1.800 59.847 58.200 -0.256 0.000 1.013 457 S CB -0.207 62.950 63.200 -0.072 0.000 0.820 457 S HN 0.586 nan 8.310 nan 0.000 0.476 458 D N 0.347 120.447 120.400 -0.500 0.000 2.190 458 D HA -0.131 4.509 4.640 0.000 0.000 0.200 458 D C 0.978 176.891 176.300 -0.644 0.000 0.992 458 D CA 1.290 54.988 54.000 -0.503 0.000 0.854 458 D CB -0.286 40.362 40.800 -0.253 0.000 0.936 458 D HN 0.919 nan 8.370 nan 0.000 0.462 459 W N -0.067 121.045 121.300 -0.313 0.000 2.357 459 W HA 0.746 5.406 4.660 0.000 0.000 0.386 459 W C -0.134 176.291 176.519 -0.156 0.000 0.889 459 W CA -1.230 55.938 57.345 -0.295 0.000 2.425 459 W CB -0.589 28.743 29.460 -0.212 0.000 1.244 459 W HN -0.162 nan 8.180 nan 0.000 0.646 460 A N 1.099 123.843 122.820 -0.126 0.000 2.386 460 A HA 0.345 4.665 4.320 0.000 0.000 0.246 460 A C 0.888 178.467 177.584 -0.007 0.000 1.089 460 A CA 0.043 52.059 52.037 -0.035 0.000 0.790 460 A CB 0.687 19.671 19.000 -0.026 0.000 1.042 460 A HN 0.368 nan 8.150 nan 0.000 0.497 461 L N 0.968 122.214 121.223 0.038 0.000 2.249 461 L HA 0.155 4.495 4.340 0.000 0.000 0.207 461 L C 2.120 178.964 176.870 -0.042 0.000 1.090 461 L CA 2.122 56.978 54.840 0.026 0.000 0.802 461 L CB -1.471 40.662 42.059 0.123 0.000 0.947 461 L HN 0.878 nan 8.230 nan 0.000 0.453 462 G N -2.397 106.382 108.800 -0.034 0.000 2.606 462 G HA2 -0.091 3.869 3.960 0.000 0.000 0.213 462 G HA3 -0.091 3.869 3.960 0.000 0.000 0.213 462 G C -0.343 174.446 174.900 -0.184 0.000 2.020 462 G CA -0.330 44.568 45.100 -0.337 0.000 0.814 462 G HN 0.253 nan 8.290 nan 0.000 0.685 463 W N 2.796 124.093 121.300 -0.004 0.000 1.830 463 W HA 0.438 5.098 4.660 0.000 0.000 0.461 463 W C 1.048 177.698 176.519 0.217 0.000 0.613 463 W CA -0.855 56.474 57.345 -0.026 0.000 2.422 463 W CB -0.253 29.086 29.460 -0.201 0.000 1.059 463 W HN 0.088 nan 8.180 nan 0.000 0.479 464 R N 1.934 122.611 120.500 0.294 0.000 2.502 464 R HA 0.027 4.367 4.340 0.000 0.000 0.292 464 R C 1.318 177.804 176.300 0.310 0.000 0.998 464 R CA 1.570 57.784 56.100 0.189 0.000 1.056 464 R CB 0.391 30.701 30.300 0.018 0.000 0.939 464 R HN 0.431 nan 8.270 nan 0.000 0.411 465 S N 1.549 117.359 115.700 0.183 0.000 2.659 465 S HA -0.173 4.297 4.470 0.000 0.000 0.264 465 S C -0.294 174.209 174.600 -0.162 0.000 1.310 465 S CA 0.730 59.003 58.200 0.122 0.000 1.262 465 S CB -2.140 61.267 63.200 0.345 0.000 1.548 465 S HN 0.495 nan 8.310 nan 0.000 0.657 466 F N 1.056 121.026 119.950 0.034 0.000 2.408 466 F HA 0.659 5.186 4.527 0.000 0.000 0.325 466 F C 2.135 177.940 175.800 0.008 0.000 1.082 466 F CA -0.652 57.330 58.000 -0.030 0.000 1.032 466 F CB 0.246 39.188 39.000 -0.097 0.000 1.259 466 F HN -0.024 nan 8.300 nan 0.000 0.503 467 I N 0.432 121.108 120.570 0.177 0.000 2.145 467 I HA -0.368 3.802 4.170 0.000 0.000 0.244 467 I C 1.992 178.162 176.117 0.088 0.000 1.075 467 I CA 2.126 63.477 61.300 0.086 0.000 1.332 467 I CB -0.362 37.616 38.000 -0.038 0.000 1.033 467 I HN 0.742 nan 8.210 nan 0.000 0.410 468 D N 0.650 121.115 120.400 0.109 0.000 2.133 468 D HA -0.180 4.460 4.640 0.000 0.000 0.195 468 D C 2.180 178.583 176.300 0.173 0.000 0.997 468 D CA 1.665 55.749 54.000 0.140 0.000 0.840 468 D CB -0.195 40.605 40.800 -0.000 0.000 0.947 468 D HN 0.345 nan 8.370 nan 0.000 0.452 469 G N -0.302 108.622 108.800 0.207 0.000 2.422 469 G HA2 -0.126 3.834 3.960 0.000 0.000 0.218 469 G HA3 -0.126 3.834 3.960 0.000 0.000 0.218 469 G C 1.655 176.556 174.900 0.001 0.000 1.140 469 G CA 0.787 45.959 45.100 0.120 0.000 0.775 469 G HN 0.411 nan 8.290 nan 0.000 0.545 470 A N 0.901 123.741 122.820 0.034 0.000 1.902 470 A HA 0.040 4.360 4.320 0.000 0.000 0.217 470 A C 2.371 179.964 177.584 0.015 0.000 1.181 470 A CA 1.264 53.307 52.037 0.011 0.000 0.623 470 A CB -0.317 18.739 19.000 0.093 0.000 0.818 470 A HN 0.380 nan 8.150 nan 0.000 0.443 471 I N -0.690 119.910 120.570 0.049 0.000 2.286 471 I HA -0.211 3.960 4.170 0.000 0.000 0.245 471 I C 2.553 178.647 176.117 -0.038 0.000 1.104 471 I CA 1.522 62.873 61.300 0.085 0.000 1.397 471 I CB -0.415 37.714 38.000 0.216 0.000 1.072 471 I HN 0.520 nan 8.210 nan 0.000 0.417 472 E N 1.248 121.274 120.200 -0.290 0.000 2.118 472 E HA -0.262 4.088 4.350 0.000 0.000 0.195 472 E C 1.919 178.416 176.600 -0.172 0.000 0.992 472 E CA 1.337 57.401 56.400 -0.560 0.000 0.804 472 E CB 0.130 29.356 29.700 -0.790 0.000 0.741 472 E HN 0.425 nan 8.360 nan 0.000 0.458 473 E N -0.464 119.675 120.200 -0.101 0.000 2.086 473 E HA -0.050 4.300 4.350 0.000 0.000 0.190 473 E C 2.028 178.629 176.600 0.002 0.000 0.975 473 E CA 0.856 57.232 56.400 -0.040 0.000 0.813 473 E CB -0.295 29.343 29.700 -0.103 0.000 0.768 473 E HN 0.416 nan 8.360 nan 0.000 0.457 474 G N 0.760 109.565 108.800 0.008 0.000 2.432 474 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 474 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 474 G C 1.662 176.593 174.900 0.052 0.000 1.135 474 G CA 1.421 46.542 45.100 0.036 0.000 0.767 474 G HN 0.213 nan 8.290 nan 0.000 0.550 475 T N 0.355 114.946 114.554 0.061 0.000 2.595 475 T HA -0.163 4.187 4.350 0.000 0.000 0.264 475 T C 2.312 177.045 174.700 0.055 0.000 1.058 475 T CA 1.414 63.556 62.100 0.070 0.000 1.166 475 T CB -0.215 68.713 68.868 0.099 0.000 0.863 475 T HN 0.318 nan 8.240 nan 0.000 0.415 476 R N 0.950 121.479 120.500 0.049 0.000 2.117 476 R HA -0.118 4.222 4.340 0.000 0.000 0.243 476 R C 2.544 178.873 176.300 0.048 0.000 1.143 476 R CA 1.513 57.645 56.100 0.054 0.000 0.968 476 R CB -0.490 29.848 30.300 0.064 0.000 0.863 476 R HN 0.399 nan 8.270 nan 0.000 0.444 477 A N 0.795 123.642 122.820 0.046 0.000 1.858 477 A HA -0.125 4.195 4.320 0.000 0.000 0.216 477 A C 2.405 179.987 177.584 -0.004 0.000 1.190 477 A CA 1.770 53.825 52.037 0.031 0.000 0.617 477 A CB -0.970 18.050 19.000 0.033 0.000 0.827 477 A HN 0.543 nan 8.150 nan 0.000 0.443 478 A N -0.160 122.659 122.820 -0.001 0.000 1.873 478 A HA -0.250 4.070 4.320 0.000 0.000 0.218 478 A C 2.224 179.784 177.584 -0.041 0.000 1.193 478 A CA 2.360 54.380 52.037 -0.028 0.000 0.629 478 A CB -0.575 18.432 19.000 0.012 0.000 0.826 478 A HN 0.555 nan 8.150 nan 0.000 0.447 479 R N -0.706 119.793 120.500 -0.001 0.000 2.105 479 R HA -0.104 4.236 4.340 0.000 0.000 0.239 479 R C 1.833 178.128 176.300 -0.008 0.000 1.135 479 R CA 1.816 57.920 56.100 0.006 0.000 0.967 479 R CB -0.660 29.659 30.300 0.032 0.000 0.861 479 R HN 0.260 nan 8.270 nan 0.000 0.442 480 V N -0.426 119.484 119.914 -0.008 0.000 2.515 480 V HA -0.181 3.939 4.120 0.000 0.000 0.250 480 V C 2.041 178.109 176.094 -0.044 0.000 1.058 480 V CA 1.530 63.824 62.300 -0.009 0.000 1.064 480 V CB 0.139 31.967 31.823 0.008 0.000 0.675 480 V HN 0.234 nan 8.190 nan 0.000 0.461 481 V N -0.950 118.908 119.914 -0.094 0.000 2.302 481 V HA -0.149 3.971 4.120 0.000 0.000 0.243 481 V C 2.328 178.277 176.094 -0.242 0.000 1.036 481 V CA 1.173 63.368 62.300 -0.176 0.000 1.020 481 V CB -0.420 31.253 31.823 -0.250 0.000 0.657 481 V HN 0.344 nan 8.190 nan 0.000 0.453 482 L N 0.291 121.363 121.223 -0.253 0.000 1.976 482 L HA -0.312 4.028 4.340 0.000 0.000 0.223 482 L C 2.639 179.517 176.870 0.012 0.000 1.081 482 L CA 2.552 57.311 54.840 -0.135 0.000 0.784 482 L CB -1.126 40.923 42.059 -0.016 0.000 0.896 482 L HN 0.494 nan 8.230 nan 0.000 0.438 483 E N -0.666 119.540 120.200 0.009 0.000 2.070 483 E HA -0.179 4.171 4.350 0.000 0.000 0.197 483 E C 0.879 177.491 176.600 0.020 0.000 1.004 483 E CA 0.849 57.264 56.400 0.025 0.000 0.805 483 E CB -0.034 29.677 29.700 0.018 0.000 0.744 483 E HN 0.604 nan 8.360 nan 0.000 0.451 484 E N 0.000 120.198 120.200 -0.003 0.000 2.725 484 E HA 0.000 4.350 4.350 0.000 0.000 0.291 484 E CA 0.000 56.404 56.400 0.007 0.000 0.976 484 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440