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 2vle_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.578 177.584 -0.010 0.000 1.274 7 A CA 0.000 52.053 52.037 0.026 0.000 0.836 7 A CB 0.000 19.029 19.000 0.048 0.000 0.831 8 V N 1.970 121.843 119.914 -0.068 0.000 2.384 8 V HA 0.502 4.622 4.120 -0.000 0.000 0.287 8 V C -2.033 173.947 176.094 -0.191 0.000 1.020 8 V CA -1.485 60.670 62.300 -0.242 0.000 0.850 8 V CB 1.311 33.017 31.823 -0.196 0.000 0.987 8 V HN 0.665 nan 8.190 nan 0.000 0.436 9 P HA 0.301 nan 4.420 nan 0.000 0.268 9 P C -0.194 177.112 177.300 0.010 0.000 1.205 9 P CA -0.085 62.954 63.100 -0.102 0.000 0.771 9 P CB 0.508 32.158 31.700 -0.084 0.000 0.858 10 A N 4.807 127.628 122.820 0.002 0.000 2.511 10 A HA 0.362 4.682 4.320 -0.000 0.000 0.242 10 A C -1.804 175.718 177.584 -0.103 0.000 1.069 10 A CA -0.695 51.324 52.037 -0.030 0.000 0.763 10 A CB -0.994 17.979 19.000 -0.046 0.000 1.001 10 A HN 0.439 nan 8.150 nan 0.000 0.498 11 P HA 0.166 nan 4.420 nan 0.000 0.284 11 P C -0.804 176.274 177.300 -0.369 0.000 1.258 11 P CA -0.785 61.994 63.100 -0.536 0.000 0.824 11 P CB 0.755 31.695 31.700 -1.268 0.000 1.038 12 N N 1.896 120.437 118.700 -0.265 0.000 2.405 12 N HA 0.006 4.746 4.740 -0.000 0.000 0.260 12 N C 0.693 175.901 175.510 -0.503 0.000 1.152 12 N CA 0.277 53.169 53.050 -0.264 0.000 0.948 12 N CB 0.335 38.765 38.487 -0.096 0.000 1.111 12 N HN 0.268 nan 8.380 nan 0.000 0.485 13 Q N 2.016 121.394 119.800 -0.704 0.000 2.482 13 Q HA -0.002 4.338 4.340 -0.000 0.000 0.209 13 Q C -0.276 175.305 176.000 -0.699 0.000 0.961 13 Q CA 0.715 55.747 55.803 -1.284 0.000 0.945 13 Q CB 0.273 28.373 28.738 -1.064 0.000 1.012 13 Q HN 0.619 nan 8.270 nan 0.000 0.515 14 Q N 0.881 120.459 119.800 -0.371 0.000 3.394 14 Q HA 0.211 4.551 4.340 -0.000 0.000 0.285 14 Q C -2.493 173.431 176.000 -0.126 0.000 0.866 14 Q CA -1.476 54.210 55.803 -0.196 0.000 0.844 14 Q CB 1.407 30.051 28.738 -0.156 0.000 1.472 14 Q HN 0.063 nan 8.270 nan 0.000 0.401 15 P HA -0.091 nan 4.420 nan 0.000 0.268 15 P C -0.274 177.011 177.300 -0.024 0.000 1.205 15 P CA 0.029 63.132 63.100 0.005 0.000 0.771 15 P CB 0.958 32.628 31.700 -0.050 0.000 0.858 16 E N 1.414 121.595 120.200 -0.032 0.000 2.383 16 E HA 0.196 4.546 4.350 -0.000 0.000 0.264 16 E C -0.812 175.529 176.600 -0.431 0.000 1.050 16 E CA -0.594 55.621 56.400 -0.309 0.000 0.896 16 E CB 0.660 30.052 29.700 -0.514 0.000 0.982 16 E HN 0.136 nan 8.360 nan 0.000 0.424 17 V N 5.679 125.318 119.914 -0.458 0.000 2.394 17 V HA 0.147 4.267 4.120 -0.000 0.000 0.282 17 V C -0.019 175.794 176.094 -0.468 0.000 1.031 17 V CA -0.113 61.995 62.300 -0.320 0.000 0.881 17 V CB 0.945 32.663 31.823 -0.175 0.000 0.982 17 V HN 0.712 nan 8.190 nan 0.000 0.451 18 F N 1.547 121.517 119.950 0.032 0.000 2.694 18 F HA 0.278 4.805 4.527 -0.000 0.000 0.292 18 F C 0.872 176.552 175.800 -0.199 0.000 1.121 18 F CA -0.031 57.948 58.000 -0.035 0.000 1.352 18 F CB 0.510 39.545 39.000 0.059 0.000 1.107 18 F HN 0.381 nan 8.300 nan 0.000 0.597 19 C N 1.864 121.123 119.300 -0.068 0.000 2.397 19 C HA 0.430 4.890 4.460 -0.000 0.000 0.325 19 C C 0.176 174.967 174.990 -0.331 0.000 1.201 19 C CA -0.856 57.872 59.018 -0.484 0.000 1.377 19 C CB 0.648 28.067 27.740 -0.535 0.000 2.038 19 C HN 0.531 nan 8.230 nan 0.000 0.457 20 N N 1.205 119.682 118.700 -0.370 0.000 2.261 20 N HA 0.062 4.802 4.740 -0.000 0.000 0.241 20 N C -0.491 174.980 175.510 -0.065 0.000 1.374 20 N CA -0.256 52.693 53.050 -0.168 0.000 0.802 20 N CB 0.041 38.431 38.487 -0.161 0.000 1.339 20 N HN 0.789 nan 8.380 nan 0.000 0.498 21 Q N -0.022 119.784 119.800 0.009 0.000 2.712 21 Q HA 0.581 4.921 4.340 -0.000 0.000 0.267 21 Q C -0.466 175.855 176.000 0.534 0.000 1.062 21 Q CA -0.992 54.976 55.803 0.274 0.000 0.888 21 Q CB 1.961 30.890 28.738 0.318 0.000 1.374 21 Q HN 0.137 nan 8.270 nan 0.000 0.498 22 I N 1.237 122.086 120.570 0.465 0.000 2.395 22 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 22 I C -0.746 175.592 176.117 0.368 0.000 1.023 22 I CA -0.079 61.460 61.300 0.399 0.000 1.350 22 I CB 0.419 38.594 38.000 0.292 0.000 1.409 22 I HN 0.369 nan 8.210 nan 0.000 0.507 23 F N 8.391 128.354 119.950 0.021 0.000 2.334 23 F HA 0.605 5.132 4.527 -0.000 0.000 0.367 23 F C -0.530 175.157 175.800 -0.188 0.000 1.115 23 F CA -0.442 57.332 58.000 -0.377 0.000 1.116 23 F CB 0.326 38.949 39.000 -0.629 0.000 1.230 23 F HN 0.173 nan 8.300 nan 0.000 0.484 24 I N 5.617 125.873 120.570 -0.523 0.000 2.534 24 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 24 I C -0.381 175.491 176.117 -0.408 0.000 1.077 24 I CA -1.051 60.059 61.300 -0.317 0.000 1.051 24 I CB 1.810 39.796 38.000 -0.024 0.000 1.234 24 I HN 0.475 nan 8.210 nan 0.000 0.425 25 N N 4.555 123.020 118.700 -0.392 0.000 2.735 25 N HA -0.243 4.497 4.740 -0.000 0.000 0.248 25 N C 0.005 175.249 175.510 -0.444 0.000 1.083 25 N CA 1.278 54.145 53.050 -0.304 0.000 0.703 25 N CB -1.132 37.270 38.487 -0.141 0.000 1.005 25 N HN 0.946 nan 8.380 nan 0.000 0.550 26 N N -1.544 116.643 118.700 -0.855 0.000 2.714 26 N HA -0.243 4.497 4.740 -0.000 0.000 0.250 26 N C -0.912 174.168 175.510 -0.717 0.000 1.117 26 N CA 1.270 53.829 53.050 -0.819 0.000 0.719 26 N CB -0.415 37.941 38.487 -0.218 0.000 1.081 26 N HN 0.620 nan 8.380 nan 0.000 0.557 27 E N -0.907 118.744 120.200 -0.915 0.000 2.336 27 E HA 0.411 4.761 4.350 -0.000 0.000 0.267 27 E C -0.956 175.072 176.600 -0.954 0.000 0.906 27 E CA -0.735 55.253 56.400 -0.687 0.000 0.781 27 E CB 1.159 30.599 29.700 -0.434 0.000 1.261 27 E HN 0.123 nan 8.360 nan 0.000 0.436 28 W N 1.396 122.438 121.300 -0.430 0.000 2.417 28 W HA 0.332 4.992 4.660 0.000 0.000 0.317 28 W C 0.167 176.383 176.519 -0.505 0.000 1.121 28 W CA -0.303 56.864 57.345 -0.297 0.000 1.208 28 W CB 0.947 30.381 29.460 -0.043 0.000 1.253 28 W HN 0.314 nan 8.180 nan 0.000 0.533 29 H N 1.320 120.567 119.070 0.296 0.000 2.851 29 H HA 0.219 4.775 4.556 -0.000 0.000 0.372 29 H C -0.715 174.721 175.328 0.180 0.000 1.158 29 H CA -0.884 55.268 56.048 0.174 0.000 1.159 29 H CB 1.629 31.446 29.762 0.090 0.000 1.757 29 H HN 0.263 nan 8.280 nan 0.000 0.546 30 D N 0.608 121.163 120.400 0.259 0.000 2.344 30 D HA 0.293 4.933 4.640 -0.000 0.000 0.244 30 D C 0.531 176.937 176.300 0.177 0.000 1.134 30 D CA -0.356 53.756 54.000 0.186 0.000 0.930 30 D CB 1.103 41.983 40.800 0.134 0.000 1.175 30 D HN 0.621 nan 8.370 nan 0.000 0.437 31 A N 0.895 123.810 122.820 0.157 0.000 2.520 31 A HA 0.046 4.366 4.320 -0.000 0.000 0.235 31 A C 1.609 179.254 177.584 0.101 0.000 1.065 31 A CA -0.399 51.720 52.037 0.137 0.000 0.764 31 A CB 0.238 19.326 19.000 0.148 0.000 1.002 31 A HN 0.433 nan 8.150 nan 0.000 0.502 32 V N 2.357 122.318 119.914 0.078 0.000 2.380 32 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 32 V C 2.710 178.839 176.094 0.057 0.000 1.063 32 V CA 2.835 65.168 62.300 0.055 0.000 1.055 32 V CB -0.825 31.022 31.823 0.040 0.000 0.657 32 V HN 1.150 nan 8.190 nan 0.000 0.455 33 S N -0.953 114.787 115.700 0.067 0.000 2.522 33 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 33 S C 1.269 175.909 174.600 0.066 0.000 0.986 33 S CA 0.247 58.484 58.200 0.061 0.000 0.929 33 S CB -0.069 63.171 63.200 0.065 0.000 0.769 33 S HN 0.552 nan 8.310 nan 0.000 0.529 34 R N -0.234 120.313 120.500 0.078 0.000 3.977 34 R HA -0.131 4.209 4.340 -0.000 0.000 0.428 34 R C -0.450 175.902 176.300 0.086 0.000 1.079 34 R CA 1.303 57.450 56.100 0.079 0.000 1.269 34 R CB -2.545 27.791 30.300 0.061 0.000 1.856 34 R HN 0.581 nan 8.270 nan 0.000 0.551 35 K N 1.554 122.014 120.400 0.100 0.000 2.380 35 K HA 0.191 4.511 4.320 -0.000 0.000 0.267 35 K C 0.932 177.626 176.600 0.157 0.000 0.990 35 K CA 1.051 57.410 56.287 0.119 0.000 0.946 35 K CB 0.493 33.068 32.500 0.125 0.000 0.937 35 K HN 0.342 nan 8.250 nan 0.000 0.491 36 T N -1.080 113.571 114.554 0.162 0.000 2.883 36 T HA 0.692 5.042 4.350 -0.000 0.000 0.296 36 T C -0.910 173.949 174.700 0.265 0.000 1.117 36 T CA -1.065 61.132 62.100 0.162 0.000 1.006 36 T CB 0.824 69.715 68.868 0.038 0.000 1.191 36 T HN 0.481 nan 8.240 nan 0.000 0.508 37 F N -0.984 119.045 119.950 0.133 0.000 2.588 37 F HA 0.842 5.369 4.527 0.000 0.000 0.310 37 F C -3.153 172.699 175.800 0.086 0.000 1.082 37 F CA -2.888 55.210 58.000 0.163 0.000 0.929 37 F CB 1.537 40.727 39.000 0.316 0.000 1.254 37 F HN 0.402 nan 8.300 nan 0.000 0.455 38 P HA 0.162 nan 4.420 nan 0.000 0.279 38 P C -0.815 176.533 177.300 0.081 0.000 1.239 38 P CA -0.063 63.053 63.100 0.028 0.000 0.789 38 P CB 1.857 33.604 31.700 0.079 0.000 0.933 39 T N 1.900 116.434 114.554 -0.033 0.000 2.823 39 T HA 0.407 4.757 4.350 -0.000 0.000 0.279 39 T C -0.517 174.186 174.700 0.004 0.000 0.998 39 T CA -0.528 61.586 62.100 0.023 0.000 0.994 39 T CB 0.436 69.296 68.868 -0.012 0.000 0.960 39 T HN 0.063 nan 8.240 nan 0.000 0.448 40 V N 5.429 125.352 119.914 0.016 0.000 2.612 40 V HA 0.417 4.537 4.120 -0.000 0.000 0.301 40 V C 0.583 176.679 176.094 0.004 0.000 1.046 40 V CA -1.076 61.234 62.300 0.016 0.000 0.946 40 V CB 1.641 33.492 31.823 0.047 0.000 1.003 40 V HN 0.957 nan 8.190 nan 0.000 0.459 41 N N 5.132 123.834 118.700 0.004 0.000 2.402 41 N HA 0.201 4.941 4.740 -0.000 0.000 0.252 41 N C -1.538 173.973 175.510 0.002 0.000 1.118 41 N CA -1.394 51.656 53.050 -0.001 0.000 0.945 41 N CB 1.283 39.773 38.487 0.006 0.000 1.147 41 N HN 0.419 nan 8.380 nan 0.000 0.495 42 P HA -0.066 nan 4.420 nan 0.000 0.226 42 P C 0.547 177.764 177.300 -0.137 0.000 1.153 42 P CA 0.860 63.990 63.100 0.050 0.000 0.777 42 P CB 0.355 32.041 31.700 -0.024 0.000 0.794 43 S N -0.338 115.304 115.700 -0.096 0.000 2.406 43 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 43 S C 1.890 176.522 174.600 0.053 0.000 1.020 43 S CA 1.905 60.111 58.200 0.010 0.000 0.965 43 S CB -0.768 62.511 63.200 0.131 0.000 0.798 43 S HN 0.447 nan 8.310 nan 0.000 0.488 44 T N -3.134 111.398 114.554 -0.036 0.000 2.978 44 T HA 0.475 4.825 4.350 -0.000 0.000 0.248 44 T C 1.559 176.175 174.700 -0.141 0.000 1.018 44 T CA 0.829 62.893 62.100 -0.059 0.000 1.026 44 T CB 0.306 69.159 68.868 -0.025 0.000 1.032 44 T HN 0.522 nan 8.240 nan 0.000 0.485 45 G N 1.513 110.217 108.800 -0.160 0.000 2.176 45 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.253 45 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.253 45 G C -0.148 174.727 174.900 -0.042 0.000 0.979 45 G CA 0.072 45.088 45.100 -0.140 0.000 0.641 45 G HN 0.602 nan 8.290 nan 0.000 0.530 46 E N 0.190 120.368 120.200 -0.036 0.000 2.343 46 E HA 0.435 4.785 4.350 -0.000 0.000 0.269 46 E C 0.642 177.236 176.600 -0.009 0.000 1.047 46 E CA -0.602 55.785 56.400 -0.021 0.000 0.874 46 E CB 1.921 31.606 29.700 -0.026 0.000 1.033 46 E HN 0.125 nan 8.360 nan 0.000 0.409 47 V N 4.515 124.424 119.914 -0.007 0.000 2.485 47 V HA -0.047 4.073 4.120 -0.000 0.000 0.287 47 V C 1.725 177.803 176.094 -0.026 0.000 1.022 47 V CA 0.437 62.731 62.300 -0.010 0.000 1.067 47 V CB 0.009 31.828 31.823 -0.008 0.000 0.967 47 V HN 0.622 nan 8.190 nan 0.000 0.479 48 I N 4.354 124.905 120.570 -0.032 0.000 2.193 48 I HA -0.017 4.153 4.170 -0.000 0.000 0.240 48 I C 1.064 177.141 176.117 -0.065 0.000 1.084 48 I CA 1.505 62.777 61.300 -0.046 0.000 1.365 48 I CB 0.084 38.056 38.000 -0.046 0.000 1.064 48 I HN 0.879 nan 8.210 nan 0.000 0.410 49 C N -2.123 117.130 119.300 -0.079 0.000 3.249 49 C HA 0.561 5.021 4.460 -0.000 0.000 0.350 49 C C -0.844 174.066 174.990 -0.133 0.000 1.431 49 C CA -1.090 57.868 59.018 -0.099 0.000 1.209 49 C CB 1.098 28.769 27.740 -0.114 0.000 1.546 49 C HN 0.255 nan 8.230 nan 0.000 0.450 50 Q N 0.285 120.000 119.800 -0.142 0.000 2.222 50 Q HA 0.827 5.167 4.340 -0.000 0.000 0.252 50 Q C -0.899 174.934 176.000 -0.278 0.000 0.926 50 Q CA -0.293 55.398 55.803 -0.186 0.000 0.899 50 Q CB 1.680 30.356 28.738 -0.103 0.000 1.250 50 Q HN 0.809 nan 8.270 nan 0.000 0.441 51 V N 1.935 121.556 119.914 -0.488 0.000 2.789 51 V HA 0.711 4.831 4.120 -0.000 0.000 0.311 51 V C -0.708 175.191 176.094 -0.324 0.000 1.073 51 V CA -1.158 60.829 62.300 -0.523 0.000 0.921 51 V CB 1.832 33.119 31.823 -0.894 0.000 1.009 51 V HN 0.964 nan 8.190 nan 0.000 0.426 52 A N 2.647 125.442 122.820 -0.043 0.000 2.566 52 A HA 0.176 4.496 4.320 -0.000 0.000 0.245 52 A C 0.388 178.165 177.584 0.321 0.000 1.056 52 A CA 0.343 52.462 52.037 0.135 0.000 0.757 52 A CB -0.108 18.995 19.000 0.173 0.000 0.979 52 A HN 0.892 nan 8.150 nan 0.000 0.508 53 E N 3.026 123.458 120.200 0.386 0.000 1.986 53 E HA 0.365 4.715 4.350 -0.000 0.000 0.264 53 E C 0.640 177.420 176.600 0.299 0.000 1.023 53 E CA -0.302 56.392 56.400 0.490 0.000 0.834 53 E CB 0.256 30.268 29.700 0.520 0.000 1.111 53 E HN 0.816 nan 8.360 nan 0.000 0.417 54 G N 3.375 112.334 108.800 0.266 0.000 2.491 54 G HA2 0.052 4.012 3.960 -0.000 0.000 0.242 54 G HA3 0.052 4.012 3.960 -0.000 0.000 0.242 54 G C -0.283 174.714 174.900 0.161 0.000 1.266 54 G CA -0.190 45.024 45.100 0.190 0.000 0.844 54 G HN 0.572 nan 8.290 nan 0.000 0.571 55 D N -0.424 120.051 120.400 0.125 0.000 2.837 55 D HA 0.201 4.841 4.640 -0.000 0.000 0.294 55 D C 1.321 177.672 176.300 0.086 0.000 1.158 55 D CA -0.805 53.256 54.000 0.101 0.000 1.073 55 D CB 1.532 42.383 40.800 0.084 0.000 1.419 55 D HN 0.270 nan 8.370 nan 0.000 0.584 56 K N 0.251 120.694 120.400 0.072 0.000 2.059 56 K HA -0.181 4.139 4.320 -0.000 0.000 0.212 56 K C 1.520 178.165 176.600 0.074 0.000 1.050 56 K CA 1.710 58.040 56.287 0.072 0.000 0.927 56 K CB 0.061 32.591 32.500 0.051 0.000 0.714 56 K HN 0.326 nan 8.250 nan 0.000 0.447 57 E N 0.192 120.427 120.200 0.059 0.000 2.153 57 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 57 E C 1.630 178.260 176.600 0.050 0.000 0.988 57 E CA 1.197 57.627 56.400 0.050 0.000 0.811 57 E CB -0.006 29.717 29.700 0.038 0.000 0.746 57 E HN 0.474 nan 8.360 nan 0.000 0.466 58 D N 0.541 120.978 120.400 0.061 0.000 2.123 58 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 58 D C 2.202 178.534 176.300 0.054 0.000 0.976 58 D CA 0.682 54.717 54.000 0.058 0.000 0.831 58 D CB -0.091 40.763 40.800 0.089 0.000 0.974 58 D HN 0.020 nan 8.370 nan 0.000 0.469 59 V N 2.166 122.122 119.914 0.070 0.000 2.282 59 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 59 V C 2.002 178.121 176.094 0.042 0.000 1.057 59 V CA 1.844 64.180 62.300 0.059 0.000 1.032 59 V CB -0.455 31.421 31.823 0.088 0.000 0.645 59 V HN 0.038 nan 8.190 nan 0.000 0.447 60 D N -0.154 120.304 120.400 0.096 0.000 2.123 60 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 60 D C 2.282 178.612 176.300 0.049 0.000 0.992 60 D CA 1.263 55.345 54.000 0.136 0.000 0.833 60 D CB -0.228 40.656 40.800 0.140 0.000 0.954 60 D HN 0.440 nan 8.370 nan 0.000 0.455 61 K N 0.436 120.845 120.400 0.016 0.000 2.057 61 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 61 K C 2.139 178.715 176.600 -0.040 0.000 1.049 61 K CA 1.107 57.380 56.287 -0.023 0.000 0.931 61 K CB -0.104 32.361 32.500 -0.057 0.000 0.714 61 K HN 0.039 nan 8.250 nan 0.000 0.440 62 A N 1.164 123.963 122.820 -0.035 0.000 1.902 62 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 62 A C 2.400 179.939 177.584 -0.075 0.000 1.181 62 A CA 1.382 53.391 52.037 -0.047 0.000 0.623 62 A CB -0.652 18.335 19.000 -0.021 0.000 0.818 62 A HN 0.069 nan 8.150 nan 0.000 0.443 63 V N 0.325 120.167 119.914 -0.120 0.000 2.343 63 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 63 V C 2.437 178.471 176.094 -0.101 0.000 1.051 63 V CA 2.327 64.509 62.300 -0.197 0.000 1.036 63 V CB -0.667 30.840 31.823 -0.526 0.000 0.654 63 V HN 0.548 nan 8.190 nan 0.000 0.451 64 K N 0.290 120.661 120.400 -0.049 0.000 2.097 64 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 64 K C 2.322 178.918 176.600 -0.007 0.000 1.049 64 K CA 1.426 57.709 56.287 -0.006 0.000 0.933 64 K CB -0.401 32.105 32.500 0.010 0.000 0.717 64 K HN 0.474 nan 8.250 nan 0.000 0.442 65 A N 1.758 124.561 122.820 -0.028 0.000 1.902 65 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 65 A C 2.418 179.994 177.584 -0.013 0.000 1.181 65 A CA 1.848 53.867 52.037 -0.031 0.000 0.623 65 A CB -0.674 18.288 19.000 -0.062 0.000 0.818 65 A HN 0.327 nan 8.150 nan 0.000 0.443 66 A N -0.134 122.672 122.820 -0.024 0.000 1.877 66 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 66 A C 2.180 179.806 177.584 0.070 0.000 1.186 66 A CA 2.222 54.258 52.037 -0.001 0.000 0.620 66 A CB -0.491 18.485 19.000 -0.040 0.000 0.822 66 A HN 0.467 nan 8.150 nan 0.000 0.443 67 R N 0.335 120.866 120.500 0.052 0.000 2.096 67 R HA -0.102 4.238 4.340 -0.000 0.000 0.240 67 R C 2.121 178.515 176.300 0.157 0.000 1.139 67 R CA 2.197 58.365 56.100 0.113 0.000 0.952 67 R CB -1.008 29.335 30.300 0.072 0.000 0.854 67 R HN 0.407 nan 8.270 nan 0.000 0.436 68 A N 0.099 122.977 122.820 0.098 0.000 1.902 68 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 68 A C 2.340 179.992 177.584 0.114 0.000 1.181 68 A CA 1.777 53.867 52.037 0.088 0.000 0.623 68 A CB -1.038 17.991 19.000 0.048 0.000 0.818 68 A HN 0.497 nan 8.150 nan 0.000 0.443 69 A N -2.231 120.663 122.820 0.124 0.000 2.121 69 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 69 A C 1.682 179.434 177.584 0.280 0.000 1.154 69 A CA 1.217 53.345 52.037 0.153 0.000 0.679 69 A CB -0.525 18.522 19.000 0.079 0.000 0.795 69 A HN 0.628 nan 8.150 nan 0.000 0.458 70 F N 0.107 120.139 119.950 0.137 0.000 2.727 70 F HA 0.238 4.765 4.527 -0.000 0.000 0.302 70 F C 0.592 176.467 175.800 0.124 0.000 1.097 70 F CA -0.338 57.768 58.000 0.177 0.000 1.330 70 F CB 0.194 39.284 39.000 0.150 0.000 1.084 70 F HN 0.065 nan 8.300 nan 0.000 0.578 71 Q N 1.747 121.591 119.800 0.075 0.000 2.337 71 Q HA 0.052 4.392 4.340 -0.000 0.000 0.270 71 Q C -0.224 175.718 176.000 -0.097 0.000 1.002 71 Q CA -0.172 55.632 55.803 0.001 0.000 0.888 71 Q CB 0.877 29.640 28.738 0.042 0.000 1.222 71 Q HN 0.265 nan 8.270 nan 0.000 0.400 72 L N 1.907 123.061 121.223 -0.116 0.000 2.640 72 L HA 0.051 4.391 4.340 -0.000 0.000 0.280 72 L C 1.278 178.111 176.870 -0.062 0.000 1.229 72 L CA 2.275 57.047 54.840 -0.114 0.000 0.919 72 L CB -0.045 41.971 42.059 -0.072 0.000 1.168 72 L HN 0.934 nan 8.230 nan 0.000 0.496 73 G N 1.895 110.657 108.800 -0.063 0.000 2.195 73 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 73 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 73 G C 0.353 175.245 174.900 -0.012 0.000 0.984 73 G CA 0.337 45.417 45.100 -0.032 0.000 0.633 73 G HN 1.113 nan 8.290 nan 0.000 0.525 74 S N 0.567 116.263 115.700 -0.006 0.000 2.600 74 S HA 0.575 5.045 4.470 -0.000 0.000 0.265 74 S C -0.564 174.074 174.600 0.064 0.000 1.325 74 S CA -0.247 57.979 58.200 0.043 0.000 1.002 74 S CB 1.916 65.164 63.200 0.080 0.000 0.921 74 S HN -0.001 nan 8.310 nan 0.000 0.554 75 P HA -0.110 nan 4.420 nan 0.000 0.216 75 P C 1.282 178.698 177.300 0.195 0.000 1.153 75 P CA 1.254 64.424 63.100 0.118 0.000 0.858 75 P CB -0.134 31.646 31.700 0.132 0.000 0.789 76 W N 0.225 121.547 121.300 0.037 0.000 2.388 76 W HA -0.123 4.537 4.660 0.000 0.000 0.294 76 W C 1.659 178.200 176.519 0.036 0.000 1.212 76 W CA 0.613 58.000 57.345 0.070 0.000 1.271 76 W CB -0.079 29.451 29.460 0.117 0.000 1.126 76 W HN -0.154 nan 8.180 nan 0.000 0.535 77 R N 0.370 120.857 120.500 -0.021 0.000 2.115 77 R HA -0.040 4.300 4.340 -0.000 0.000 0.226 77 R C 2.064 178.264 176.300 -0.166 0.000 1.100 77 R CA 0.971 56.953 56.100 -0.197 0.000 0.980 77 R CB -0.647 29.520 30.300 -0.221 0.000 0.875 77 R HN 0.313 nan 8.270 nan 0.000 0.445 78 R N -0.212 120.232 120.500 -0.094 0.000 2.210 78 R HA 0.173 4.513 4.340 -0.000 0.000 0.203 78 R C 1.135 177.383 176.300 -0.088 0.000 1.010 78 R CA -0.203 55.850 56.100 -0.078 0.000 1.008 78 R CB -0.002 30.271 30.300 -0.045 0.000 0.923 78 R HN 0.109 nan 8.270 nan 0.000 0.469 79 M N 2.337 121.879 119.600 -0.097 0.000 2.248 79 M HA -0.064 4.416 4.480 -0.000 0.000 0.343 79 M C -0.755 175.482 176.300 -0.105 0.000 1.243 79 M CA 0.504 55.749 55.300 -0.092 0.000 1.025 79 M CB 0.513 33.083 32.600 -0.050 0.000 1.759 79 M HN -0.067 nan 8.290 nan 0.000 0.452 80 D N 4.165 124.530 120.400 -0.059 0.000 2.488 80 D HA 0.075 4.715 4.640 -0.000 0.000 0.238 80 D C 0.868 177.157 176.300 -0.018 0.000 1.138 80 D CA 0.617 54.600 54.000 -0.028 0.000 0.873 80 D CB 1.079 41.879 40.800 0.001 0.000 1.183 80 D HN 0.777 nan 8.370 nan 0.000 0.458 81 A N 2.548 125.350 122.820 -0.030 0.000 1.917 81 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 81 A C 2.139 179.731 177.584 0.014 0.000 1.182 81 A CA 2.279 54.300 52.037 -0.026 0.000 0.633 81 A CB -0.634 18.367 19.000 0.001 0.000 0.819 81 A HN 0.611 nan 8.150 nan 0.000 0.448 82 S N -1.171 114.548 115.700 0.032 0.000 2.399 82 S HA -0.261 4.209 4.470 -0.000 0.000 0.231 82 S C 1.832 176.462 174.600 0.051 0.000 1.022 82 S CA 1.663 59.886 58.200 0.039 0.000 0.983 82 S CB -0.710 62.512 63.200 0.037 0.000 0.803 82 S HN 0.754 nan 8.310 nan 0.000 0.480 83 H N 1.539 120.595 119.070 -0.025 0.000 2.395 83 H HA 0.222 4.778 4.556 -0.000 0.000 0.299 83 H C 2.363 177.683 175.328 -0.014 0.000 1.070 83 H CA 1.406 57.440 56.048 -0.024 0.000 1.356 83 H CB -0.082 29.661 29.762 -0.031 0.000 1.401 83 H HN 0.317 nan 8.280 nan 0.000 0.524 84 R N -0.564 119.954 120.500 0.029 0.000 2.096 84 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 84 R C 2.524 178.863 176.300 0.065 0.000 1.139 84 R CA 1.285 57.420 56.100 0.059 0.000 0.952 84 R CB -0.715 29.590 30.300 0.007 0.000 0.854 84 R HN 0.470 nan 8.270 nan 0.000 0.436 85 G N 1.126 109.947 108.800 0.035 0.000 2.421 85 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 85 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 85 G C 1.376 176.264 174.900 -0.020 0.000 1.171 85 G CA 0.341 45.463 45.100 0.037 0.000 0.775 85 G HN 0.160 nan 8.290 nan 0.000 0.543 86 R N 0.234 120.668 120.500 -0.110 0.000 2.103 86 R HA -0.010 4.330 4.340 -0.000 0.000 0.242 86 R C 2.643 178.828 176.300 -0.191 0.000 1.142 86 R CA 0.795 56.792 56.100 -0.172 0.000 0.960 86 R CB -1.170 28.948 30.300 -0.303 0.000 0.858 86 R HN 0.407 nan 8.270 nan 0.000 0.439 87 L N 0.451 121.502 121.223 -0.287 0.000 2.046 87 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 87 L C 2.549 179.398 176.870 -0.034 0.000 1.077 87 L CA 0.994 55.619 54.840 -0.358 0.000 0.747 87 L CB -0.428 41.163 42.059 -0.780 0.000 0.896 87 L HN 0.129 nan 8.230 nan 0.000 0.432 88 L N -0.406 120.911 121.223 0.157 0.000 2.083 88 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 88 L C 2.372 179.342 176.870 0.167 0.000 1.083 88 L CA 1.006 56.015 54.840 0.282 0.000 0.752 88 L CB -0.524 41.694 42.059 0.266 0.000 0.899 88 L HN 0.361 nan 8.230 nan 0.000 0.433 89 N N -0.124 118.628 118.700 0.086 0.000 2.188 89 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 89 N C 1.930 177.473 175.510 0.056 0.000 1.018 89 N CA 0.933 54.019 53.050 0.061 0.000 0.858 89 N CB -0.161 38.341 38.487 0.025 0.000 0.989 89 N HN 0.169 nan 8.380 nan 0.000 0.426 90 R N 1.283 121.802 120.500 0.033 0.000 2.070 90 R HA -0.055 4.285 4.340 -0.000 0.000 0.233 90 R C 2.127 178.478 176.300 0.085 0.000 1.137 90 R CA 0.922 57.042 56.100 0.034 0.000 0.945 90 R CB -1.022 29.270 30.300 -0.013 0.000 0.845 90 R HN 0.157 nan 8.270 nan 0.000 0.430 91 L N 0.425 121.737 121.223 0.150 0.000 1.990 91 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 91 L C 2.172 179.117 176.870 0.125 0.000 1.072 91 L CA 2.468 57.413 54.840 0.176 0.000 0.755 91 L CB -1.170 41.047 42.059 0.262 0.000 0.889 91 L HN 0.317 nan 8.230 nan 0.000 0.432 92 A N -0.823 122.070 122.820 0.121 0.000 1.892 92 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 92 A C 2.022 179.655 177.584 0.083 0.000 1.188 92 A CA 2.082 54.179 52.037 0.101 0.000 0.631 92 A CB -1.010 18.049 19.000 0.099 0.000 0.822 92 A HN 0.586 nan 8.150 nan 0.000 0.447 93 D N 0.064 120.509 120.400 0.074 0.000 2.104 93 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 93 D C 1.963 178.307 176.300 0.072 0.000 0.994 93 D CA 1.274 55.312 54.000 0.063 0.000 0.830 93 D CB -0.425 40.406 40.800 0.051 0.000 0.959 93 D HN 0.482 nan 8.370 nan 0.000 0.452 94 L N 0.340 121.611 121.223 0.079 0.000 2.046 94 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 94 L C 2.568 179.508 176.870 0.116 0.000 1.077 94 L CA 0.672 55.565 54.840 0.088 0.000 0.747 94 L CB -0.326 41.780 42.059 0.078 0.000 0.896 94 L HN 0.023 nan 8.230 nan 0.000 0.432 95 I N -0.160 120.480 120.570 0.116 0.000 2.226 95 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 95 I C 2.641 178.824 176.117 0.110 0.000 1.100 95 I CA 1.355 62.734 61.300 0.132 0.000 1.374 95 I CB -0.180 37.887 38.000 0.111 0.000 1.057 95 I HN 0.330 nan 8.210 nan 0.000 0.413 96 E N 1.164 121.413 120.200 0.082 0.000 2.077 96 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 96 E C 2.394 179.045 176.600 0.085 0.000 0.989 96 E CA 1.025 57.461 56.400 0.061 0.000 0.800 96 E CB -0.060 29.670 29.700 0.049 0.000 0.746 96 E HN 0.240 nan 8.360 nan 0.000 0.452 97 R N 0.335 120.891 120.500 0.093 0.000 2.119 97 R HA -0.173 4.167 4.340 -0.000 0.000 0.246 97 R C 0.392 176.768 176.300 0.127 0.000 1.146 97 R CA 1.983 58.143 56.100 0.099 0.000 0.962 97 R CB -0.079 30.273 30.300 0.086 0.000 0.863 97 R HN 0.161 nan 8.270 nan 0.000 0.442 98 D N -0.506 119.990 120.400 0.161 0.000 2.491 98 D HA 0.022 4.662 4.640 -0.000 0.000 0.228 98 D C 1.104 177.540 176.300 0.226 0.000 1.183 98 D CA -0.054 54.072 54.000 0.209 0.000 0.827 98 D CB 0.211 41.185 40.800 0.290 0.000 0.989 98 D HN 0.275 nan 8.370 nan 0.000 0.494 99 R N 0.464 121.068 120.500 0.173 0.000 2.083 99 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 99 R C 1.422 177.866 176.300 0.239 0.000 1.137 99 R CA 1.648 57.821 56.100 0.121 0.000 0.951 99 R CB -0.107 30.193 30.300 0.001 0.000 0.851 99 R HN -0.037 nan 8.270 nan 0.000 0.434 100 T N 0.142 114.922 114.554 0.376 0.000 2.746 100 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 100 T C 1.374 176.303 174.700 0.382 0.000 1.039 100 T CA 1.606 63.991 62.100 0.476 0.000 1.142 100 T CB -0.517 68.568 68.868 0.361 0.000 0.866 100 T HN 0.415 nan 8.240 nan 0.000 0.444 101 Y N 1.694 122.092 120.300 0.164 0.000 2.114 101 Y HA -0.080 4.470 4.550 -0.000 0.000 0.284 101 Y C 2.029 177.971 175.900 0.069 0.000 1.143 101 Y CA 1.134 59.280 58.100 0.077 0.000 1.135 101 Y CB -0.614 37.831 38.460 -0.025 0.000 0.980 101 Y HN 0.109 nan 8.280 nan 0.000 0.499 102 L N -0.206 121.001 121.223 -0.027 0.000 2.046 102 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 102 L C 2.788 179.630 176.870 -0.047 0.000 1.077 102 L CA 1.207 55.976 54.840 -0.119 0.000 0.747 102 L CB -0.917 41.177 42.059 0.057 0.000 0.896 102 L HN 0.382 nan 8.230 nan 0.000 0.432 103 A N -0.181 122.696 122.820 0.096 0.000 1.902 103 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 103 A C 2.501 180.248 177.584 0.272 0.000 1.181 103 A CA 1.746 53.874 52.037 0.151 0.000 0.623 103 A CB -0.680 18.436 19.000 0.194 0.000 0.818 103 A HN 0.416 nan 8.150 nan 0.000 0.443 104 A N -0.576 122.460 122.820 0.361 0.000 1.873 104 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 104 A C 2.122 179.796 177.584 0.149 0.000 1.186 104 A CA 1.677 53.937 52.037 0.371 0.000 0.616 104 A CB -0.650 18.473 19.000 0.206 0.000 0.823 104 A HN 0.643 nan 8.150 nan 0.000 0.442 105 L N -0.042 121.106 121.223 -0.125 0.000 2.046 105 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 105 L C 2.249 179.068 176.870 -0.085 0.000 1.077 105 L CA 2.702 57.427 54.840 -0.193 0.000 0.747 105 L CB -0.648 41.131 42.059 -0.467 0.000 0.896 105 L HN 0.528 nan 8.230 nan 0.000 0.432 106 E N -1.038 119.122 120.200 -0.068 0.000 2.038 106 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 106 E C 2.059 178.614 176.600 -0.076 0.000 1.000 106 E CA 2.137 58.505 56.400 -0.055 0.000 0.803 106 E CB -0.407 29.266 29.700 -0.044 0.000 0.750 106 E HN 0.483 nan 8.360 nan 0.000 0.448 107 T N 0.729 115.230 114.554 -0.088 0.000 2.720 107 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 107 T C 1.723 176.308 174.700 -0.192 0.000 1.037 107 T CA 1.226 63.196 62.100 -0.217 0.000 1.144 107 T CB -0.377 68.225 68.868 -0.444 0.000 0.864 107 T HN 0.122 nan 8.240 nan 0.000 0.444 108 L N 1.167 122.365 121.223 -0.042 0.000 2.042 108 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 108 L C 2.046 178.909 176.870 -0.010 0.000 1.076 108 L CA 1.900 56.775 54.840 0.059 0.000 0.749 108 L CB -0.375 41.757 42.059 0.122 0.000 0.893 108 L HN 0.094 nan 8.230 nan 0.000 0.432 109 D N -1.760 118.620 120.400 -0.034 0.000 2.240 109 D HA -0.128 4.512 4.640 -0.000 0.000 0.206 109 D C 1.864 178.131 176.300 -0.055 0.000 0.963 109 D CA 0.669 54.648 54.000 -0.036 0.000 0.863 109 D CB 0.032 40.817 40.800 -0.026 0.000 0.973 109 D HN 0.427 nan 8.370 nan 0.000 0.501 110 N N -0.528 118.128 118.700 -0.073 0.000 2.436 110 N HA -0.018 4.722 4.740 -0.000 0.000 0.178 110 N C 1.388 176.819 175.510 -0.132 0.000 1.026 110 N CA 1.728 54.726 53.050 -0.087 0.000 0.880 110 N CB 0.837 39.273 38.487 -0.083 0.000 1.061 110 N HN 0.245 nan 8.380 nan 0.000 0.434 111 G N 1.347 110.053 108.800 -0.156 0.000 2.218 111 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 111 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 111 G C -0.088 174.691 174.900 -0.203 0.000 0.994 111 G CA 0.336 45.325 45.100 -0.185 0.000 0.637 111 G HN 0.690 nan 8.290 nan 0.000 0.505 112 K N 1.061 121.332 120.400 -0.216 0.000 2.319 112 K HA 0.483 4.803 4.320 -0.000 0.000 0.265 112 K C -2.689 173.790 176.600 -0.202 0.000 1.000 112 K CA -1.305 54.842 56.287 -0.233 0.000 0.943 112 K CB 0.569 32.894 32.500 -0.293 0.000 0.950 112 K HN 0.061 nan 8.250 nan 0.000 0.485 113 P HA -0.112 nan 4.420 nan 0.000 0.264 113 P C -0.369 176.881 177.300 -0.082 0.000 1.193 113 P CA 0.008 63.047 63.100 -0.101 0.000 0.763 113 P CB 0.125 31.797 31.700 -0.047 0.000 0.810 114 Y N 4.539 124.716 120.300 -0.206 0.000 2.256 114 Y HA -0.229 4.321 4.550 0.000 0.000 0.288 114 Y C 1.682 177.597 175.900 0.025 0.000 1.155 114 Y CA 1.656 59.681 58.100 -0.124 0.000 1.203 114 Y CB -0.651 37.752 38.460 -0.094 0.000 0.980 114 Y HN 0.077 nan 8.280 nan 0.000 0.530 115 V N 0.314 120.182 119.914 -0.077 0.000 2.427 115 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 115 V C 2.325 178.384 176.094 -0.060 0.000 1.051 115 V CA 1.631 63.868 62.300 -0.106 0.000 1.048 115 V CB -0.571 31.266 31.823 0.023 0.000 0.666 115 V HN 0.422 nan 8.190 nan 0.000 0.456 116 I N -0.048 120.508 120.570 -0.023 0.000 2.286 116 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 116 I C 2.593 178.713 176.117 0.006 0.000 1.104 116 I CA 1.387 62.711 61.300 0.039 0.000 1.397 116 I CB -1.448 36.574 38.000 0.038 0.000 1.072 116 I HN 0.268 nan 8.210 nan 0.000 0.417 117 S N 0.247 115.905 115.700 -0.070 0.000 2.374 117 S HA -0.250 4.220 4.470 -0.000 0.000 0.227 117 S C 2.034 176.589 174.600 -0.074 0.000 1.037 117 S CA 1.569 59.727 58.200 -0.070 0.000 1.024 117 S CB -0.532 62.623 63.200 -0.075 0.000 0.861 117 S HN 0.471 nan 8.310 nan 0.000 0.456 118 Y N 1.405 121.538 120.300 -0.280 0.000 2.176 118 Y HA 0.086 4.636 4.550 0.000 0.000 0.291 118 Y C 1.909 177.743 175.900 -0.110 0.000 1.122 118 Y CA 1.276 59.223 58.100 -0.254 0.000 1.128 118 Y CB -0.157 38.009 38.460 -0.490 0.000 1.005 118 Y HN 0.113 nan 8.280 nan 0.000 0.509 119 L N -1.463 119.809 121.223 0.082 0.000 2.270 119 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 119 L C 1.714 178.604 176.870 0.033 0.000 1.104 119 L CA 0.368 55.254 54.840 0.076 0.000 0.804 119 L CB -0.165 41.969 42.059 0.125 0.000 0.937 119 L HN 0.148 nan 8.230 nan 0.000 0.450 120 V N -0.865 119.084 119.914 0.059 0.000 2.695 120 V HA -0.065 4.055 4.120 -0.000 0.000 0.230 120 V C 1.676 177.818 176.094 0.079 0.000 1.110 120 V CA 0.995 63.358 62.300 0.104 0.000 1.159 120 V CB -0.229 31.732 31.823 0.229 0.000 0.875 120 V HN 0.189 nan 8.190 nan 0.000 0.502 121 D N 0.682 121.136 120.400 0.089 0.000 2.116 121 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 121 D C 1.975 178.284 176.300 0.014 0.000 0.998 121 D CA 1.594 55.636 54.000 0.070 0.000 0.836 121 D CB -0.223 40.611 40.800 0.055 0.000 0.951 121 D HN 0.227 nan 8.370 nan 0.000 0.449 122 L N -0.011 121.187 121.223 -0.041 0.000 2.109 122 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 122 L C 1.866 178.702 176.870 -0.057 0.000 1.086 122 L CA 1.068 55.866 54.840 -0.070 0.000 0.760 122 L CB -0.151 41.808 42.059 -0.166 0.000 0.910 122 L HN -0.028 nan 8.230 nan 0.000 0.437 123 D N -0.417 119.944 120.400 -0.065 0.000 2.097 123 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 123 D C 2.282 178.600 176.300 0.030 0.000 0.989 123 D CA 1.505 55.489 54.000 -0.026 0.000 0.827 123 D CB 0.066 40.856 40.800 -0.016 0.000 0.966 123 D HN 0.168 nan 8.370 nan 0.000 0.456 124 M N -0.507 119.123 119.600 0.050 0.000 2.159 124 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 124 M C 2.253 178.629 176.300 0.128 0.000 1.063 124 M CA 0.689 56.045 55.300 0.095 0.000 1.110 124 M CB -0.123 32.529 32.600 0.088 0.000 1.374 124 M HN -0.007 nan 8.290 nan 0.000 0.411 125 V N 1.130 121.098 119.914 0.091 0.000 2.287 125 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 125 V C 2.323 178.490 176.094 0.122 0.000 1.053 125 V CA 1.796 64.162 62.300 0.110 0.000 1.027 125 V CB -0.624 31.239 31.823 0.066 0.000 0.646 125 V HN 0.458 nan 8.190 nan 0.000 0.447 126 L N -0.718 120.556 121.223 0.084 0.000 2.046 126 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 126 L C 2.549 179.482 176.870 0.104 0.000 1.077 126 L CA 1.725 56.615 54.840 0.083 0.000 0.747 126 L CB -0.617 41.470 42.059 0.048 0.000 0.896 126 L HN 0.280 nan 8.230 nan 0.000 0.432 127 K N -0.874 119.587 120.400 0.101 0.000 2.097 127 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 127 K C 2.312 179.000 176.600 0.145 0.000 1.050 127 K CA 1.436 57.785 56.287 0.104 0.000 0.938 127 K CB -0.423 32.123 32.500 0.076 0.000 0.718 127 K HN 0.373 nan 8.250 nan 0.000 0.442 128 C N 1.240 120.648 119.300 0.180 0.000 2.436 128 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 128 C C 2.399 177.589 174.990 0.334 0.000 1.241 128 C CA 0.687 59.855 59.018 0.251 0.000 1.721 128 C CB -0.911 27.035 27.740 0.343 0.000 2.043 128 C HN 0.393 nan 8.230 nan 0.000 0.472 129 L N 0.202 121.585 121.223 0.267 0.000 2.056 129 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 129 L C 3.011 180.016 176.870 0.224 0.000 1.078 129 L CA 1.658 56.651 54.840 0.255 0.000 0.749 129 L CB -0.722 41.449 42.059 0.186 0.000 0.901 129 L HN 0.335 nan 8.230 nan 0.000 0.433 130 R N -1.247 119.357 120.500 0.173 0.000 2.092 130 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 130 R C 2.278 178.640 176.300 0.104 0.000 1.119 130 R CA 1.378 57.551 56.100 0.121 0.000 0.970 130 R CB -0.410 29.944 30.300 0.090 0.000 0.864 130 R HN 0.256 nan 8.270 nan 0.000 0.440 131 Y N 0.153 120.450 120.300 -0.004 0.000 2.114 131 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 131 Y C 1.685 177.526 175.900 -0.097 0.000 1.143 131 Y CA 1.608 59.639 58.100 -0.115 0.000 1.135 131 Y CB -0.467 37.869 38.460 -0.206 0.000 0.980 131 Y HN 0.016 nan 8.280 nan 0.000 0.499 132 Y N -0.304 120.102 120.300 0.175 0.000 2.352 132 Y HA -0.152 4.398 4.550 -0.000 0.000 0.292 132 Y C 2.612 178.555 175.900 0.071 0.000 1.136 132 Y CA 0.743 58.925 58.100 0.136 0.000 1.227 132 Y CB -0.585 37.995 38.460 0.201 0.000 0.991 132 Y HN 0.288 nan 8.280 nan 0.000 0.545 133 A N 0.286 123.215 122.820 0.182 0.000 1.917 133 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 133 A C 2.518 180.116 177.584 0.023 0.000 1.182 133 A CA 1.976 54.080 52.037 0.112 0.000 0.633 133 A CB -1.519 17.529 19.000 0.081 0.000 0.819 133 A HN 0.485 nan 8.150 nan 0.000 0.448 134 G N -2.525 106.211 108.800 -0.106 0.000 2.443 134 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 134 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 134 G C 1.341 176.086 174.900 -0.258 0.000 1.131 134 G CA 0.732 45.691 45.100 -0.236 0.000 0.775 134 G HN 0.695 nan 8.290 nan 0.000 0.547 135 W N 0.597 121.793 121.300 -0.173 0.000 2.584 135 W HA 0.281 4.941 4.660 -0.000 0.000 0.264 135 W C 2.764 179.266 176.519 -0.028 0.000 1.264 135 W CA 0.194 57.469 57.345 -0.116 0.000 1.306 135 W CB 0.306 29.715 29.460 -0.086 0.000 1.110 135 W HN 0.248 nan 8.180 nan 0.000 0.606 136 A N 1.023 123.976 122.820 0.222 0.000 1.958 136 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 136 A C 1.326 178.986 177.584 0.126 0.000 1.178 136 A CA 2.318 54.453 52.037 0.163 0.000 0.642 136 A CB -0.773 18.295 19.000 0.114 0.000 0.816 136 A HN 0.359 nan 8.150 nan 0.000 0.453 137 D N -2.293 118.164 120.400 0.095 0.000 2.593 137 D HA 0.211 4.851 4.640 -0.000 0.000 0.241 137 D C 0.507 176.828 176.300 0.034 0.000 1.257 137 D CA -0.049 53.987 54.000 0.060 0.000 0.828 137 D CB 0.050 40.872 40.800 0.037 0.000 1.049 137 D HN 0.435 nan 8.370 nan 0.000 0.490 138 K N -0.663 119.786 120.400 0.080 0.000 2.477 138 K HA 0.061 4.381 4.320 -0.000 0.000 0.208 138 K C -0.478 176.054 176.600 -0.113 0.000 1.117 138 K CA -0.461 55.799 56.287 -0.044 0.000 1.039 138 K CB 0.818 33.333 32.500 0.025 0.000 0.937 138 K HN -0.027 nan 8.250 nan 0.000 0.570 139 Y N 2.812 123.057 120.300 -0.093 0.000 2.724 139 Y HA 0.148 4.698 4.550 0.000 0.000 0.332 139 Y C -0.497 175.321 175.900 -0.137 0.000 1.276 139 Y CA -1.323 56.724 58.100 -0.088 0.000 1.597 139 Y CB -0.892 37.550 38.460 -0.030 0.000 1.584 139 Y HN 0.080 nan 8.280 nan 0.000 0.478 140 H N 1.013 120.011 119.070 -0.120 0.000 2.690 140 H HA 0.397 4.953 4.556 -0.000 0.000 0.365 140 H C 0.958 175.863 175.328 -0.705 0.000 1.142 140 H CA 0.385 56.275 56.048 -0.263 0.000 1.417 140 H CB 0.774 30.454 29.762 -0.136 0.000 1.446 140 H HN 0.710 nan 8.280 nan 0.000 0.599 141 G N 0.800 109.264 108.800 -0.560 0.000 2.509 141 G HA2 0.408 4.368 3.960 -0.000 0.000 0.269 141 G HA3 0.408 4.368 3.960 -0.000 0.000 0.269 141 G C -0.698 174.042 174.900 -0.267 0.000 1.416 141 G CA -0.836 43.817 45.100 -0.745 0.000 1.052 141 G HN 0.538 nan 8.290 nan 0.000 0.542 142 K N -0.602 119.726 120.400 -0.119 0.000 2.385 142 K HA 0.520 4.840 4.320 -0.000 0.000 0.248 142 K C -0.676 175.957 176.600 0.056 0.000 0.955 142 K CA -0.648 55.623 56.287 -0.026 0.000 0.816 142 K CB 2.131 34.626 32.500 -0.009 0.000 1.250 142 K HN 0.623 nan 8.250 nan 0.000 0.434 143 T N -0.809 113.792 114.554 0.079 0.000 2.829 143 T HA 0.661 5.011 4.350 -0.000 0.000 0.282 143 T C -0.001 174.774 174.700 0.126 0.000 0.990 143 T CA -0.737 61.464 62.100 0.168 0.000 1.028 143 T CB 0.328 69.343 68.868 0.245 0.000 0.951 143 T HN 0.404 nan 8.240 nan 0.000 0.460 144 I N 3.920 124.572 120.570 0.137 0.000 2.499 144 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 144 I C -2.243 173.939 176.117 0.110 0.000 1.048 144 I CA -2.729 58.623 61.300 0.087 0.000 1.062 144 I CB 2.893 40.916 38.000 0.038 0.000 1.238 144 I HN 0.492 nan 8.210 nan 0.000 0.426 145 P HA 0.223 nan 4.420 nan 0.000 0.225 145 P C -0.130 177.220 177.300 0.083 0.000 1.813 145 P CA 0.079 63.234 63.100 0.092 0.000 1.013 145 P CB 0.224 31.963 31.700 0.065 0.000 1.961 146 I N 1.224 121.854 120.570 0.100 0.000 2.720 146 I HA 0.101 4.271 4.170 -0.000 0.000 0.287 146 I C 0.199 176.388 176.117 0.120 0.000 1.090 146 I CA -0.290 61.059 61.300 0.082 0.000 1.384 146 I CB 0.800 38.834 38.000 0.058 0.000 1.420 146 I HN 0.024 nan 8.210 nan 0.000 0.575 147 D N 4.563 125.021 120.400 0.098 0.000 2.423 147 D HA 0.429 5.069 4.640 -0.000 0.000 0.238 147 D C 0.354 176.798 176.300 0.240 0.000 1.142 147 D CA 1.202 55.275 54.000 0.122 0.000 0.884 147 D CB 0.804 41.654 40.800 0.083 0.000 1.199 147 D HN 0.932 nan 8.370 nan 0.000 0.438 148 G N 1.715 110.641 108.800 0.210 0.000 2.757 148 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.638 148 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.638 148 G C -0.789 174.158 174.900 0.077 0.000 1.344 148 G CA -0.771 44.472 45.100 0.238 0.000 0.855 148 G HN 0.502 nan 8.290 nan 0.000 0.537 149 D N 1.008 121.207 120.400 -0.335 0.000 2.608 149 D HA 0.474 5.114 4.640 -0.000 0.000 0.224 149 D C -0.114 175.691 176.300 -0.826 0.000 1.123 149 D CA 0.972 54.695 54.000 -0.460 0.000 1.030 149 D CB -0.480 40.075 40.800 -0.408 0.000 1.093 149 D HN 0.272 nan 8.370 nan 0.000 0.497 150 F N 0.368 120.362 119.950 0.074 0.000 2.613 150 F HA 0.388 4.915 4.527 -0.000 0.000 0.314 150 F C -0.363 175.555 175.800 0.195 0.000 1.075 150 F CA -1.467 56.596 58.000 0.105 0.000 0.945 150 F CB 1.493 40.527 39.000 0.057 0.000 1.310 150 F HN -0.139 nan 8.300 nan 0.000 0.467 151 F N 2.030 122.122 119.950 0.237 0.000 2.402 151 F HA 0.679 5.206 4.527 -0.000 0.000 0.355 151 F C -0.518 175.405 175.800 0.205 0.000 1.123 151 F CA -1.083 57.031 58.000 0.189 0.000 1.021 151 F CB 1.091 40.191 39.000 0.166 0.000 1.160 151 F HN 0.286 nan 8.300 nan 0.000 0.451 152 S N 6.763 122.451 115.700 -0.021 0.000 2.500 152 S HA 0.809 5.279 4.470 -0.000 0.000 0.301 152 S C -1.448 173.015 174.600 -0.230 0.000 1.092 152 S CA -0.289 57.774 58.200 -0.229 0.000 1.030 152 S CB 0.692 63.838 63.200 -0.090 0.000 1.031 152 S HN 0.703 nan 8.310 nan 0.000 0.483 153 Y N -0.008 120.056 120.300 -0.393 0.000 2.670 153 Y HA 0.767 5.317 4.550 -0.000 0.000 0.334 153 Y C -0.626 175.173 175.900 -0.168 0.000 1.185 153 Y CA -1.072 56.867 58.100 -0.270 0.000 1.053 153 Y CB 0.823 39.077 38.460 -0.344 0.000 1.298 153 Y HN 0.538 nan 8.280 nan 0.000 0.459 154 T N -0.379 114.217 114.554 0.070 0.000 2.856 154 T HA 0.695 5.045 4.350 -0.000 0.000 0.283 154 T C -0.832 173.950 174.700 0.136 0.000 1.008 154 T CA -1.066 61.052 62.100 0.030 0.000 0.997 154 T CB 1.749 70.652 68.868 0.059 0.000 0.992 154 T HN 0.803 nan 8.240 nan 0.000 0.454 155 R N 1.188 121.765 120.500 0.128 0.000 2.407 155 R HA 0.332 4.672 4.340 -0.000 0.000 0.303 155 R C -0.267 176.176 176.300 0.238 0.000 0.981 155 R CA -0.684 55.508 56.100 0.153 0.000 0.905 155 R CB 0.889 31.272 30.300 0.138 0.000 1.099 155 R HN 0.723 nan 8.270 nan 0.000 0.459 156 H N 2.421 121.510 119.070 0.032 0.000 2.787 156 H HA 0.120 4.676 4.556 -0.000 0.000 0.275 156 H C -0.311 175.067 175.328 0.084 0.000 1.183 156 H CA -0.366 55.705 56.048 0.038 0.000 1.290 156 H CB 0.851 30.604 29.762 -0.015 0.000 1.438 156 H HN 0.404 nan 8.280 nan 0.000 0.487 157 E N 4.075 124.385 120.200 0.183 0.000 2.250 157 E HA 0.233 4.583 4.350 -0.000 0.000 0.265 157 E C -2.454 174.259 176.600 0.188 0.000 1.033 157 E CA -2.294 54.206 56.400 0.166 0.000 0.888 157 E CB 1.007 30.794 29.700 0.144 0.000 1.151 157 E HN 0.378 nan 8.360 nan 0.000 0.412 158 P HA -0.061 nan 4.420 nan 0.000 0.271 158 P C 0.579 178.004 177.300 0.207 0.000 1.216 158 P CA 0.001 63.263 63.100 0.270 0.000 0.776 158 P CB 0.736 32.703 31.700 0.445 0.000 0.881 159 V N 2.128 122.104 119.914 0.103 0.000 2.626 159 V HA 0.043 4.163 4.120 -0.000 0.000 0.252 159 V C 1.100 177.127 176.094 -0.111 0.000 1.067 159 V CA 2.686 64.993 62.300 0.013 0.000 1.081 159 V CB -1.143 30.664 31.823 -0.025 0.000 0.686 159 V HN 0.974 nan 8.190 nan 0.000 0.468 160 G N -0.915 107.707 108.800 -0.295 0.000 2.390 160 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.202 160 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.202 160 G C -0.418 174.100 174.900 -0.636 0.000 1.210 160 G CA -0.224 44.321 45.100 -0.926 0.000 1.271 160 G HN 0.546 nan 8.290 nan 0.000 0.543 161 V N 1.237 120.883 119.914 -0.448 0.000 2.415 161 V HA 0.404 4.524 4.120 -0.000 0.000 0.267 161 V C 0.394 176.420 176.094 -0.114 0.000 1.042 161 V CA -0.066 62.099 62.300 -0.225 0.000 1.000 161 V CB 0.285 32.010 31.823 -0.164 0.000 1.015 161 V HN 0.814 nan 8.190 nan 0.000 0.478 162 C N 4.985 124.257 119.300 -0.047 0.000 2.264 162 C HA 0.663 5.123 4.460 -0.000 0.000 0.324 162 C C 1.059 176.067 174.990 0.030 0.000 1.267 162 C CA -1.018 58.017 59.018 0.028 0.000 1.618 162 C CB 0.283 28.121 27.740 0.164 0.000 2.278 162 C HN 0.998 nan 8.230 nan 0.000 0.499 163 G N 3.119 111.935 108.800 0.026 0.000 2.355 163 G HA2 0.496 4.456 3.960 -0.000 0.000 0.276 163 G HA3 0.496 4.456 3.960 -0.000 0.000 0.276 163 G C -0.725 174.223 174.900 0.080 0.000 1.198 163 G CA -0.088 45.035 45.100 0.040 0.000 0.876 163 G HN 0.811 nan 8.290 nan 0.000 0.478 164 Q N 1.459 121.309 119.800 0.082 0.000 2.310 164 Q HA 0.452 4.792 4.340 -0.000 0.000 0.270 164 Q C -0.894 175.161 176.000 0.092 0.000 1.025 164 Q CA -0.446 55.416 55.803 0.099 0.000 0.772 164 Q CB 2.764 31.554 28.738 0.086 0.000 1.253 164 Q HN 0.516 nan 8.270 nan 0.000 0.450 165 I N 4.752 125.390 120.570 0.113 0.000 2.410 165 I HA 0.485 4.655 4.170 -0.000 0.000 0.286 165 I C -0.247 175.853 176.117 -0.028 0.000 1.009 165 I CA -0.809 60.558 61.300 0.113 0.000 1.111 165 I CB 1.188 39.368 38.000 0.301 0.000 1.262 165 I HN 0.535 nan 8.210 nan 0.000 0.443 166 I N 4.819 125.361 120.570 -0.047 0.000 2.740 166 I HA 0.778 4.948 4.170 -0.000 0.000 0.303 166 I C -2.777 173.261 176.117 -0.132 0.000 1.044 166 I CA -2.255 58.971 61.300 -0.124 0.000 1.064 166 I CB 2.158 40.116 38.000 -0.070 0.000 1.249 166 I HN 0.194 nan 8.210 nan 0.000 0.433 167 P HA 0.273 nan 4.420 nan 0.000 0.321 167 P C -0.184 177.023 177.300 -0.156 0.000 1.304 167 P CA -0.287 62.650 63.100 -0.272 0.000 0.759 167 P CB 0.418 31.820 31.700 -0.496 0.000 1.385 168 W N -0.265 121.023 121.300 -0.020 0.000 3.103 168 W HA 0.121 4.781 4.660 0.000 0.000 0.325 168 W C 0.674 177.155 176.519 -0.063 0.000 1.170 168 W CA 0.114 57.438 57.345 -0.035 0.000 1.712 168 W CB -1.284 28.154 29.460 -0.035 0.000 1.068 168 W HN 0.204 nan 8.180 nan 0.000 0.592 169 N N 1.760 120.333 118.700 -0.211 0.000 2.354 169 N HA -0.140 4.600 4.740 -0.000 0.000 0.179 169 N C -0.190 175.045 175.510 -0.458 0.000 1.021 169 N CA 0.678 53.600 53.050 -0.213 0.000 0.887 169 N CB -0.965 37.303 38.487 -0.365 0.000 0.974 169 N HN 0.065 nan 8.380 nan 0.000 0.437 170 F N -0.240 119.601 119.950 -0.181 0.000 2.646 170 F HA 0.433 4.960 4.527 0.000 0.000 0.336 170 F C -1.846 173.842 175.800 -0.186 0.000 1.437 170 F CA -2.030 55.844 58.000 -0.210 0.000 1.142 170 F CB 2.080 40.868 39.000 -0.352 0.000 1.530 170 F HN -0.180 nan 8.300 nan 0.000 0.591 171 P HA -0.187 nan 4.420 nan 0.000 0.213 171 P C 1.954 179.248 177.300 -0.009 0.000 1.170 171 P CA 1.659 64.761 63.100 0.003 0.000 0.902 171 P CB 0.420 32.132 31.700 0.019 0.000 0.789 172 L N -1.906 119.315 121.223 -0.004 0.000 2.056 172 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 172 L C 2.428 179.279 176.870 -0.032 0.000 1.078 172 L CA 0.894 55.734 54.840 0.001 0.000 0.749 172 L CB -0.951 41.118 42.059 0.016 0.000 0.901 172 L HN -0.021 nan 8.230 nan 0.000 0.433 173 L N -0.498 120.678 121.223 -0.078 0.000 2.046 173 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 173 L C 2.501 179.132 176.870 -0.397 0.000 1.077 173 L CA 1.837 56.537 54.840 -0.233 0.000 0.747 173 L CB -0.423 41.422 42.059 -0.356 0.000 0.896 173 L HN 0.176 nan 8.230 nan 0.000 0.432 174 M N -1.197 118.199 119.600 -0.340 0.000 2.159 174 M HA -0.238 4.242 4.480 -0.000 0.000 0.263 174 M C 2.264 178.520 176.300 -0.072 0.000 1.063 174 M CA 1.719 56.853 55.300 -0.276 0.000 1.110 174 M CB -1.065 31.417 32.600 -0.197 0.000 1.374 174 M HN 0.500 nan 8.290 nan 0.000 0.411 175 Q N 0.425 120.198 119.800 -0.045 0.000 2.084 175 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 175 Q C 2.071 178.091 176.000 0.035 0.000 0.978 175 Q CA 2.040 57.842 55.803 -0.002 0.000 0.844 175 Q CB -0.033 28.704 28.738 -0.002 0.000 0.898 175 Q HN 0.485 nan 8.270 nan 0.000 0.426 176 A N 0.094 122.954 122.820 0.066 0.000 1.877 176 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 176 A C 1.552 179.306 177.584 0.284 0.000 1.186 176 A CA 1.278 53.408 52.037 0.156 0.000 0.620 176 A CB -1.214 17.899 19.000 0.190 0.000 0.822 176 A HN 0.649 nan 8.150 nan 0.000 0.443 177 W N 0.464 121.768 121.300 0.006 0.000 2.364 177 W HA -0.068 4.592 4.660 0.000 0.000 0.281 177 W C 2.094 178.587 176.519 -0.043 0.000 1.219 177 W CA 1.301 58.656 57.345 0.016 0.000 1.220 177 W CB -0.186 29.273 29.460 -0.001 0.000 1.127 177 W HN 0.273 nan 8.180 nan 0.000 0.556 178 K N -0.525 119.972 120.400 0.162 0.000 2.141 178 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 178 K C 2.046 178.567 176.600 -0.132 0.000 1.045 178 K CA 0.615 56.921 56.287 0.031 0.000 0.971 178 K CB -0.860 31.676 32.500 0.059 0.000 0.795 178 K HN 0.202 nan 8.250 nan 0.000 0.459 179 L N 0.463 121.634 121.223 -0.087 0.000 2.093 179 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 179 L C 2.489 179.256 176.870 -0.171 0.000 1.085 179 L CA 1.295 56.050 54.840 -0.141 0.000 0.755 179 L CB -0.956 41.035 42.059 -0.113 0.000 0.904 179 L HN 0.271 nan 8.230 nan 0.000 0.435 180 G N 1.177 109.903 108.800 -0.124 0.000 2.545 180 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 180 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 180 G C -0.634 174.001 174.900 -0.441 0.000 1.218 180 G CA 0.923 45.956 45.100 -0.112 0.000 0.787 180 G HN 0.312 nan 8.290 nan 0.000 0.571 181 P HA 0.008 nan 4.420 nan 0.000 0.217 181 P C 2.025 178.915 177.300 -0.682 0.000 1.151 181 P CA 1.967 64.469 63.100 -0.997 0.000 0.828 181 P CB -0.175 30.953 31.700 -0.954 0.000 0.788 182 A N 0.005 122.316 122.820 -0.847 0.000 1.898 182 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 182 A C 2.374 179.880 177.584 -0.129 0.000 1.181 182 A CA 1.342 52.971 52.037 -0.680 0.000 0.620 182 A CB -1.535 17.093 19.000 -0.619 0.000 0.819 182 A HN 0.111 nan 8.150 nan 0.000 0.442 183 L N -0.963 120.239 121.223 -0.036 0.000 2.095 183 L HA -0.072 4.268 4.340 -0.000 0.000 0.204 183 L C 3.057 180.116 176.870 0.315 0.000 1.080 183 L CA 0.818 55.825 54.840 0.278 0.000 0.759 183 L CB -0.593 41.605 42.059 0.231 0.000 0.914 183 L HN 0.404 nan 8.230 nan 0.000 0.439 184 A N 0.348 123.259 122.820 0.152 0.000 1.986 184 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 184 A C 2.204 179.859 177.584 0.119 0.000 1.171 184 A CA 2.341 54.474 52.037 0.160 0.000 0.640 184 A CB -0.901 18.209 19.000 0.183 0.000 0.811 184 A HN 0.524 nan 8.150 nan 0.000 0.451 185 T N -4.623 109.980 114.554 0.082 0.000 3.122 185 T HA 0.438 4.788 4.350 -0.000 0.000 0.250 185 T C 1.180 175.959 174.700 0.131 0.000 1.067 185 T CA 0.930 63.090 62.100 0.101 0.000 0.966 185 T CB 0.139 69.062 68.868 0.092 0.000 1.002 185 T HN 1.721 nan 8.240 nan 0.000 0.542 186 G N 1.615 110.510 108.800 0.158 0.000 2.137 186 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.237 186 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.237 186 G C -0.033 175.162 174.900 0.493 0.000 1.002 186 G CA -0.301 44.853 45.100 0.090 0.000 0.702 186 G HN 0.575 nan 8.290 nan 0.000 0.515 187 N N -0.625 118.371 118.700 0.493 0.000 2.364 187 N HA 0.591 5.331 4.740 -0.000 0.000 0.264 187 N C 0.539 176.343 175.510 0.488 0.000 1.263 187 N CA 0.562 53.861 53.050 0.414 0.000 0.959 187 N CB 1.700 40.315 38.487 0.213 0.000 1.204 187 N HN 0.757 nan 8.380 nan 0.000 0.550 188 V N -2.141 117.895 119.914 0.203 0.000 2.864 188 V HA 0.783 4.903 4.120 -0.000 0.000 0.314 188 V C -0.057 176.027 176.094 -0.017 0.000 1.073 188 V CA -0.917 61.417 62.300 0.056 0.000 0.956 188 V CB 1.473 33.337 31.823 0.067 0.000 1.023 188 V HN 0.425 nan 8.190 nan 0.000 0.435 189 V N 2.066 121.946 119.914 -0.056 0.000 2.876 189 V HA 0.881 5.001 4.120 -0.000 0.000 0.312 189 V C -0.943 175.128 176.094 -0.039 0.000 1.085 189 V CA -0.545 61.732 62.300 -0.039 0.000 0.945 189 V CB 2.144 33.945 31.823 -0.036 0.000 1.017 189 V HN 0.937 nan 8.190 nan 0.000 0.428 190 V N 6.777 126.677 119.914 -0.023 0.000 2.378 190 V HA 0.514 4.634 4.120 -0.000 0.000 0.288 190 V C -0.015 176.089 176.094 0.017 0.000 1.016 190 V CA -0.263 62.030 62.300 -0.011 0.000 0.840 190 V CB 1.325 33.127 31.823 -0.035 0.000 0.994 190 V HN 1.034 nan 8.190 nan 0.000 0.431 191 M N 5.363 124.981 119.600 0.031 0.000 2.294 191 M HA 0.578 5.058 4.480 -0.000 0.000 0.335 191 M C -0.724 175.614 176.300 0.064 0.000 1.079 191 M CA -0.510 54.816 55.300 0.043 0.000 0.982 191 M CB 1.375 33.991 32.600 0.026 0.000 1.651 191 M HN 0.408 nan 8.290 nan 0.000 0.437 192 K N 5.251 125.694 120.400 0.071 0.000 2.293 192 K HA 0.442 4.762 4.320 -0.000 0.000 0.267 192 K C -1.211 175.432 176.600 0.070 0.000 1.010 192 K CA -0.350 55.985 56.287 0.081 0.000 0.875 192 K CB 1.024 33.578 32.500 0.091 0.000 1.106 192 K HN 0.697 nan 8.250 nan 0.000 0.450 193 V N 0.718 120.677 119.914 0.075 0.000 2.973 193 V HA 0.747 4.867 4.120 -0.000 0.000 0.314 193 V C 0.241 176.372 176.094 0.062 0.000 1.066 193 V CA -1.087 61.253 62.300 0.067 0.000 1.021 193 V CB 1.293 33.165 31.823 0.082 0.000 1.076 193 V HN 0.720 nan 8.190 nan 0.000 0.462 194 A N 2.043 124.906 122.820 0.072 0.000 2.440 194 A HA 0.348 4.668 4.320 -0.000 0.000 0.251 194 A C 1.213 178.822 177.584 0.041 0.000 1.089 194 A CA 0.256 52.343 52.037 0.083 0.000 0.779 194 A CB 0.049 19.174 19.000 0.208 0.000 1.022 194 A HN 1.151 nan 8.150 nan 0.000 0.492 195 E N 1.778 121.910 120.200 -0.114 0.000 2.204 195 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 195 E C 1.063 177.667 176.600 0.006 0.000 0.990 195 E CA 1.676 57.929 56.400 -0.244 0.000 0.821 195 E CB -0.237 28.915 29.700 -0.913 0.000 0.750 195 E HN 0.810 nan 8.360 nan 0.000 0.477 196 Q N 0.763 120.546 119.800 -0.028 0.000 2.224 196 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 196 Q C 0.750 176.761 176.000 0.018 0.000 0.970 196 Q CA 1.879 57.649 55.803 -0.055 0.000 0.865 196 Q CB 0.300 28.893 28.738 -0.242 0.000 0.922 196 Q HN 0.489 nan 8.270 nan 0.000 0.445 197 T N -4.264 110.339 114.554 0.082 0.000 3.734 197 T HA 0.329 4.679 4.350 -0.000 0.000 0.238 197 T C -2.628 172.124 174.700 0.086 0.000 1.205 197 T CA -1.293 60.853 62.100 0.077 0.000 1.606 197 T CB 1.026 69.956 68.868 0.103 0.000 0.832 197 T HN -0.088 nan 8.240 nan 0.000 0.655 198 P HA 0.266 nan 4.420 nan 0.000 0.234 198 P C 1.636 178.989 177.300 0.087 0.000 1.175 198 P CA -0.080 63.087 63.100 0.112 0.000 0.801 198 P CB 0.253 32.049 31.700 0.160 0.000 0.891 199 L N 0.048 121.303 121.223 0.053 0.000 1.994 199 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 199 L C 2.631 179.557 176.870 0.094 0.000 1.071 199 L CA 2.512 57.381 54.840 0.048 0.000 0.745 199 L CB -2.110 39.951 42.059 0.003 0.000 0.892 199 L HN 0.096 nan 8.230 nan 0.000 0.431 200 T N -1.982 112.613 114.554 0.068 0.000 2.759 200 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 200 T C 1.915 176.702 174.700 0.145 0.000 1.042 200 T CA 1.114 63.272 62.100 0.098 0.000 1.140 200 T CB -0.448 68.445 68.868 0.040 0.000 0.864 200 T HN 0.334 nan 8.240 nan 0.000 0.455 201 A N 1.493 124.376 122.820 0.106 0.000 1.930 201 A HA 0.243 4.563 4.320 -0.000 0.000 0.217 201 A C 2.457 180.101 177.584 0.101 0.000 1.175 201 A CA 1.073 53.161 52.037 0.085 0.000 0.627 201 A CB -0.775 18.264 19.000 0.065 0.000 0.815 201 A HN 0.551 nan 8.150 nan 0.000 0.443 202 L N -2.223 119.097 121.223 0.162 0.000 2.093 202 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 202 L C 2.572 179.610 176.870 0.279 0.000 1.085 202 L CA 1.662 56.658 54.840 0.261 0.000 0.755 202 L CB -0.655 41.545 42.059 0.235 0.000 0.904 202 L HN 0.573 nan 8.230 nan 0.000 0.435 203 Y N 0.348 120.732 120.300 0.140 0.000 2.224 203 Y HA -0.206 4.344 4.550 -0.000 0.000 0.289 203 Y C 2.400 178.367 175.900 0.112 0.000 1.146 203 Y CA 1.371 59.571 58.100 0.166 0.000 1.182 203 Y CB -0.151 38.459 38.460 0.250 0.000 0.983 203 Y HN -0.172 nan 8.280 nan 0.000 0.524 204 V N 0.337 120.317 119.914 0.111 0.000 2.490 204 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 204 V C 2.616 178.593 176.094 -0.195 0.000 1.061 204 V CA 1.564 63.856 62.300 -0.012 0.000 1.064 204 V CB -1.468 30.378 31.823 0.039 0.000 0.670 204 V HN 0.579 nan 8.190 nan 0.000 0.461 205 A N 0.289 122.930 122.820 -0.299 0.000 1.908 205 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 205 A C 2.064 179.216 177.584 -0.720 0.000 1.181 205 A CA 2.328 53.899 52.037 -0.776 0.000 0.627 205 A CB -0.793 17.417 19.000 -1.316 0.000 0.818 205 A HN 0.577 nan 8.150 nan 0.000 0.445 206 N N -0.028 118.472 118.700 -0.334 0.000 2.104 206 N HA -0.099 4.641 4.740 -0.000 0.000 0.190 206 N C 1.544 176.938 175.510 -0.193 0.000 1.024 206 N CA 1.526 54.481 53.050 -0.158 0.000 0.853 206 N CB -0.361 37.994 38.487 -0.220 0.000 1.008 206 N HN 0.519 nan 8.380 nan 0.000 0.424 207 L N -0.229 120.840 121.223 -0.257 0.000 2.141 207 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 207 L C 2.024 178.885 176.870 -0.015 0.000 1.094 207 L CA 0.661 55.431 54.840 -0.117 0.000 0.763 207 L CB -0.364 41.653 42.059 -0.070 0.000 0.908 207 L HN 0.203 nan 8.230 nan 0.000 0.437 208 I N 0.268 120.796 120.570 -0.070 0.000 2.226 208 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 208 I C 2.770 178.990 176.117 0.172 0.000 1.100 208 I CA 1.411 62.719 61.300 0.013 0.000 1.374 208 I CB -0.223 37.642 38.000 -0.225 0.000 1.057 208 I HN 0.265 nan 8.210 nan 0.000 0.413 209 K N 1.158 121.618 120.400 0.100 0.000 2.026 209 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 209 K C 2.107 178.774 176.600 0.111 0.000 1.048 209 K CA 1.830 58.210 56.287 0.154 0.000 0.929 209 K CB -0.160 32.447 32.500 0.177 0.000 0.713 209 K HN 0.246 nan 8.250 nan 0.000 0.439 210 E N -0.217 120.023 120.200 0.067 0.000 2.160 210 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 210 E C 1.630 178.266 176.600 0.061 0.000 0.991 210 E CA 0.999 57.427 56.400 0.048 0.000 0.810 210 E CB -0.097 29.611 29.700 0.014 0.000 0.742 210 E HN 0.475 nan 8.360 nan 0.000 0.466 211 A N -0.101 122.780 122.820 0.101 0.000 2.066 211 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 211 A C 1.832 179.417 177.584 0.001 0.000 1.157 211 A CA 1.337 53.422 52.037 0.080 0.000 0.670 211 A CB -0.264 18.847 19.000 0.186 0.000 0.804 211 A HN 0.502 nan 8.150 nan 0.000 0.453 212 G N -2.750 106.077 108.800 0.046 0.000 2.159 212 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.170 212 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.170 212 G C -0.061 174.827 174.900 -0.019 0.000 1.007 212 G CA -0.293 44.808 45.100 0.002 0.000 0.672 212 G HN 0.247 nan 8.290 nan 0.000 0.507 213 F N 1.878 121.841 119.950 0.021 0.000 2.538 213 F HA 0.396 4.923 4.527 -0.000 0.000 0.371 213 F C -1.125 174.644 175.800 -0.052 0.000 1.087 213 F CA -1.351 56.626 58.000 -0.039 0.000 1.250 213 F CB 0.510 39.427 39.000 -0.138 0.000 1.110 213 F HN -0.089 nan 8.300 nan 0.000 0.570 214 P HA 0.019 nan 4.420 nan 0.000 0.266 214 P C -2.508 174.790 177.300 -0.002 0.000 1.193 214 P CA -0.821 62.320 63.100 0.069 0.000 0.770 214 P CB -0.086 31.689 31.700 0.126 0.000 0.836 215 P HA 0.069 nan 4.420 nan 0.000 0.268 215 P C 0.996 178.244 177.300 -0.087 0.000 1.205 215 P CA 1.012 64.066 63.100 -0.075 0.000 0.771 215 P CB 0.167 31.825 31.700 -0.070 0.000 0.858 216 G N 0.992 109.712 108.800 -0.133 0.000 2.217 216 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 216 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 216 G C 0.943 175.766 174.900 -0.129 0.000 0.990 216 G CA 0.246 45.280 45.100 -0.110 0.000 0.627 216 G HN 0.403 nan 8.290 nan 0.000 0.522 217 V N -0.052 119.736 119.914 -0.209 0.000 2.323 217 V HA 0.106 4.226 4.120 -0.000 0.000 0.244 217 V C 1.489 177.406 176.094 -0.296 0.000 1.041 217 V CA 1.951 64.016 62.300 -0.391 0.000 1.025 217 V CB 0.147 31.504 31.823 -0.776 0.000 0.656 217 V HN 0.356 nan 8.190 nan 0.000 0.451 218 V N 1.735 121.520 119.914 -0.216 0.000 2.487 218 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 218 V C -0.758 175.351 176.094 0.024 0.000 1.028 218 V CA -0.755 61.468 62.300 -0.129 0.000 0.860 218 V CB 1.690 33.390 31.823 -0.206 0.000 0.991 218 V HN 0.445 nan 8.190 nan 0.000 0.427 219 N N 5.265 123.979 118.700 0.023 0.000 2.296 219 N HA 0.633 5.373 4.740 -0.000 0.000 0.294 219 N C -1.222 174.353 175.510 0.109 0.000 1.033 219 N CA -0.422 52.674 53.050 0.077 0.000 0.839 219 N CB 3.009 41.486 38.487 -0.016 0.000 1.395 219 N HN 0.489 nan 8.380 nan 0.000 0.479 220 I N 1.309 121.995 120.570 0.193 0.000 2.433 220 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 220 I C -0.407 175.817 176.117 0.178 0.000 1.001 220 I CA -1.043 60.349 61.300 0.153 0.000 1.119 220 I CB 2.111 40.190 38.000 0.132 0.000 1.289 220 I HN 0.036 nan 8.210 nan 0.000 0.438 221 V N 7.287 127.289 119.914 0.147 0.000 2.357 221 V HA 0.306 4.426 4.120 -0.000 0.000 0.281 221 V C -2.344 173.848 176.094 0.164 0.000 1.015 221 V CA -1.654 60.741 62.300 0.159 0.000 0.827 221 V CB 1.264 33.160 31.823 0.121 0.000 1.018 221 V HN 0.561 nan 8.190 nan 0.000 0.432 222 P HA 0.623 nan 4.420 nan 0.000 0.274 222 P C 0.386 177.820 177.300 0.224 0.000 1.231 222 P CA 0.400 63.644 63.100 0.239 0.000 0.790 222 P CB 1.346 33.245 31.700 0.331 0.000 0.951 223 G N 0.153 108.973 108.800 0.033 0.000 2.345 223 G HA2 0.284 4.244 3.960 -0.000 0.000 0.285 223 G HA3 0.284 4.244 3.960 -0.000 0.000 0.285 223 G C -1.707 172.947 174.900 -0.411 0.000 1.297 223 G CA -0.769 44.248 45.100 -0.138 0.000 0.875 223 G HN 0.229 nan 8.290 nan 0.000 0.506 224 F N 0.546 120.378 119.950 -0.195 0.000 2.408 224 F HA 0.590 5.117 4.527 -0.000 0.000 0.325 224 F C 1.754 177.528 175.800 -0.044 0.000 1.082 224 F CA 0.672 58.582 58.000 -0.150 0.000 1.032 224 F CB 1.546 40.456 39.000 -0.151 0.000 1.259 224 F HN 0.664 nan 8.300 nan 0.000 0.503 225 G N 0.501 109.399 108.800 0.163 0.000 2.404 225 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 225 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 225 G C -1.071 173.889 174.900 0.100 0.000 1.189 225 G CA 0.501 45.674 45.100 0.123 0.000 0.789 225 G HN 0.488 nan 8.290 nan 0.000 0.533 226 P HA 0.037 nan 4.420 nan 0.000 0.234 226 P C 1.542 178.870 177.300 0.048 0.000 1.167 226 P CA 1.728 64.858 63.100 0.051 0.000 0.763 226 P CB 0.186 31.907 31.700 0.034 0.000 0.835 227 T N -3.632 110.968 114.554 0.077 0.000 3.480 227 T HA 0.312 4.662 4.350 -0.000 0.000 0.229 227 T C 1.945 176.693 174.700 0.080 0.000 0.944 227 T CA 0.559 62.701 62.100 0.071 0.000 1.388 227 T CB -1.080 67.838 68.868 0.082 0.000 1.180 227 T HN -0.115 nan 8.240 nan 0.000 0.414 228 A N 1.805 124.685 122.820 0.101 0.000 1.877 228 A HA 0.244 4.564 4.320 -0.000 0.000 0.216 228 A C 2.614 180.250 177.584 0.087 0.000 1.186 228 A CA 1.999 54.094 52.037 0.096 0.000 0.620 228 A CB -1.757 17.305 19.000 0.103 0.000 0.822 228 A HN 0.676 nan 8.150 nan 0.000 0.443 229 G N -0.479 108.375 108.800 0.089 0.000 2.446 229 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 229 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 229 G C 1.762 176.699 174.900 0.061 0.000 1.168 229 G CA 1.588 46.742 45.100 0.090 0.000 0.771 229 G HN 0.846 nan 8.290 nan 0.000 0.551 230 A N 1.022 123.869 122.820 0.046 0.000 1.972 230 A HA 0.291 4.611 4.320 -0.000 0.000 0.219 230 A C 2.787 180.394 177.584 0.039 0.000 1.169 230 A CA 2.167 54.218 52.037 0.024 0.000 0.635 230 A CB -0.669 18.340 19.000 0.015 0.000 0.810 230 A HN 0.791 nan 8.150 nan 0.000 0.446 231 A N -0.005 122.851 122.820 0.060 0.000 1.930 231 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 231 A C 2.102 179.759 177.584 0.121 0.000 1.175 231 A CA 1.455 53.542 52.037 0.085 0.000 0.627 231 A CB -0.546 18.512 19.000 0.097 0.000 0.815 231 A HN 0.502 nan 8.150 nan 0.000 0.443 232 I N -0.298 120.330 120.570 0.097 0.000 2.202 232 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 232 I C 2.949 179.115 176.117 0.083 0.000 1.091 232 I CA 1.092 62.444 61.300 0.087 0.000 1.368 232 I CB -0.379 37.660 38.000 0.066 0.000 1.058 232 I HN 0.344 nan 8.210 nan 0.000 0.410 233 A N -0.371 122.481 122.820 0.054 0.000 2.019 233 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 233 A C 2.332 179.932 177.584 0.028 0.000 1.164 233 A CA 1.987 54.039 52.037 0.025 0.000 0.644 233 A CB -0.412 18.578 19.000 -0.017 0.000 0.805 233 A HN 0.390 nan 8.150 nan 0.000 0.449 234 S N -1.349 114.375 115.700 0.041 0.000 2.540 234 S HA 0.098 4.568 4.470 -0.000 0.000 0.218 234 S C 0.567 175.187 174.600 0.033 0.000 0.977 234 S CA -0.568 57.644 58.200 0.021 0.000 0.918 234 S CB -0.213 62.986 63.200 -0.001 0.000 0.806 234 S HN 0.688 nan 8.310 nan 0.000 0.496 235 H N 2.598 121.666 119.070 -0.003 0.000 2.928 235 H HA 0.073 4.629 4.556 -0.000 0.000 0.338 235 H C 0.803 176.128 175.328 -0.005 0.000 1.047 235 H CA 0.659 56.706 56.048 -0.001 0.000 1.435 235 H CB 0.689 30.453 29.762 0.003 0.000 1.428 235 H HN 0.130 nan 8.280 nan 0.000 0.590 236 E N 2.888 123.021 120.200 -0.112 0.000 2.427 236 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 236 E C 0.504 177.191 176.600 0.144 0.000 1.028 236 E CA 0.680 57.081 56.400 0.001 0.000 0.864 236 E CB 0.276 29.924 29.700 -0.087 0.000 0.813 236 E HN 0.580 nan 8.360 nan 0.000 0.514 237 D N -0.433 120.221 120.400 0.424 0.000 2.501 237 D HA 0.060 4.700 4.640 -0.000 0.000 0.224 237 D C -0.763 175.594 176.300 0.096 0.000 1.202 237 D CA -0.041 54.098 54.000 0.232 0.000 0.829 237 D CB 0.694 41.629 40.800 0.224 0.000 1.023 237 D HN -0.224 nan 8.370 nan 0.000 0.499 238 V N 1.644 121.622 119.914 0.107 0.000 2.406 238 V HA 0.148 4.268 4.120 -0.000 0.000 0.272 238 V C 0.898 176.991 176.094 -0.002 0.000 1.043 238 V CA -0.325 61.972 62.300 -0.004 0.000 0.915 238 V CB 1.704 33.527 31.823 -0.000 0.000 0.988 238 V HN 0.086 nan 8.190 nan 0.000 0.466 239 D N 2.960 123.334 120.400 -0.044 0.000 2.249 239 D HA 0.043 4.683 4.640 -0.000 0.000 0.205 239 D C 0.794 177.064 176.300 -0.051 0.000 0.962 239 D CA 0.929 54.900 54.000 -0.049 0.000 0.860 239 D CB 0.571 41.317 40.800 -0.089 0.000 0.955 239 D HN 0.370 nan 8.370 nan 0.000 0.505 240 K N 0.620 120.990 120.400 -0.051 0.000 2.557 240 K HA 0.319 4.639 4.320 -0.000 0.000 0.261 240 K C -2.077 174.503 176.600 -0.033 0.000 0.932 240 K CA -0.564 55.684 56.287 -0.065 0.000 0.829 240 K CB 2.744 35.175 32.500 -0.115 0.000 1.358 240 K HN -0.135 nan 8.250 nan 0.000 0.430 241 V N 2.064 121.962 119.914 -0.027 0.000 2.656 241 V HA 0.869 4.989 4.120 -0.000 0.000 0.307 241 V C -1.442 174.673 176.094 0.034 0.000 1.051 241 V CA -0.363 61.950 62.300 0.022 0.000 0.893 241 V CB 1.683 33.527 31.823 0.035 0.000 0.999 241 V HN 0.888 nan 8.190 nan 0.000 0.426 242 A N 6.275 129.150 122.820 0.092 0.000 2.343 242 A HA 0.872 5.192 4.320 -0.000 0.000 0.308 242 A C -1.413 176.291 177.584 0.200 0.000 1.092 242 A CA -0.457 51.654 52.037 0.124 0.000 0.751 242 A CB 1.162 20.246 19.000 0.141 0.000 1.203 242 A HN 1.285 nan 8.150 nan 0.000 0.452 243 F N 1.976 121.952 119.950 0.042 0.000 2.547 243 F HA 0.697 5.224 4.527 -0.000 0.000 0.316 243 F C -0.449 175.379 175.800 0.046 0.000 1.121 243 F CA -0.014 58.009 58.000 0.038 0.000 0.911 243 F CB 2.263 41.277 39.000 0.023 0.000 1.179 243 F HN 0.432 nan 8.300 nan 0.000 0.443 244 T N 4.619 118.696 114.554 -0.794 0.000 2.824 244 T HA 0.826 5.176 4.350 -0.000 0.000 0.282 244 T C -0.116 173.868 174.700 -1.194 0.000 0.993 244 T CA -0.179 61.514 62.100 -0.678 0.000 0.967 244 T CB 1.283 69.974 68.868 -0.295 0.000 0.960 244 T HN 1.132 nan 8.240 nan 0.000 0.441 245 G N 1.742 110.086 108.800 -0.760 0.000 2.399 245 G HA2 0.424 4.384 3.960 -0.000 0.000 0.256 245 G HA3 0.424 4.384 3.960 -0.000 0.000 0.256 245 G C -0.677 174.216 174.900 -0.011 0.000 1.236 245 G CA -0.282 44.551 45.100 -0.446 0.000 0.914 245 G HN 0.945 nan 8.290 nan 0.000 0.482 246 S N -0.483 115.309 115.700 0.153 0.000 2.580 246 S HA 0.473 4.943 4.470 -0.000 0.000 0.274 246 S C 1.342 176.069 174.600 0.211 0.000 1.329 246 S CA 0.991 59.259 58.200 0.113 0.000 1.036 246 S CB 1.385 64.629 63.200 0.073 0.000 0.919 246 S HN 0.830 nan 8.310 nan 0.000 0.515 247 T N 1.492 116.153 114.554 0.177 0.000 2.699 247 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 247 T C 1.620 176.376 174.700 0.093 0.000 1.036 247 T CA 1.914 64.113 62.100 0.165 0.000 1.147 247 T CB -0.556 68.428 68.868 0.194 0.000 0.862 247 T HN 0.879 nan 8.240 nan 0.000 0.446 248 E N 0.372 120.620 120.200 0.080 0.000 2.058 248 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 248 E C 2.001 178.596 176.600 -0.007 0.000 0.997 248 E CA 1.167 57.589 56.400 0.035 0.000 0.801 248 E CB -0.064 29.662 29.700 0.044 0.000 0.746 248 E HN 0.327 nan 8.360 nan 0.000 0.450 249 I N 0.924 121.494 120.570 -0.001 0.000 2.439 249 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 249 I C 2.564 178.458 176.117 -0.372 0.000 1.139 249 I CA 1.193 62.405 61.300 -0.148 0.000 1.438 249 I CB -1.740 36.211 38.000 -0.082 0.000 1.085 249 I HN 0.250 nan 8.210 nan 0.000 0.427 250 G N 1.485 110.164 108.800 -0.201 0.000 2.505 250 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 250 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 250 G C 1.890 176.698 174.900 -0.154 0.000 1.145 250 G CA 0.678 45.676 45.100 -0.169 0.000 0.761 250 G HN 0.340 nan 8.290 nan 0.000 0.571 251 R N -0.244 120.200 120.500 -0.094 0.000 2.081 251 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 251 R C 2.668 178.906 176.300 -0.102 0.000 1.131 251 R CA 1.146 57.200 56.100 -0.077 0.000 0.960 251 R CB -0.656 29.615 30.300 -0.048 0.000 0.856 251 R HN 0.302 nan 8.270 nan 0.000 0.436 252 V N 1.566 121.401 119.914 -0.131 0.000 2.332 252 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 252 V C 2.316 178.319 176.094 -0.152 0.000 1.055 252 V CA 1.565 63.787 62.300 -0.130 0.000 1.038 252 V CB -0.489 31.250 31.823 -0.139 0.000 0.651 252 V HN 0.261 nan 8.190 nan 0.000 0.450 253 I N -0.186 120.242 120.570 -0.237 0.000 2.179 253 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 253 I C 2.555 178.602 176.117 -0.117 0.000 1.088 253 I CA 1.886 63.057 61.300 -0.215 0.000 1.357 253 I CB -1.172 36.624 38.000 -0.340 0.000 1.051 253 I HN 0.443 nan 8.210 nan 0.000 0.409 254 Q N 0.424 120.164 119.800 -0.100 0.000 2.167 254 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 254 Q C 2.359 178.326 176.000 -0.054 0.000 0.970 254 Q CA 1.214 56.980 55.803 -0.062 0.000 0.855 254 Q CB 0.237 28.946 28.738 -0.049 0.000 0.911 254 Q HN 0.303 nan 8.270 nan 0.000 0.438 255 V N 0.626 120.504 119.914 -0.060 0.000 2.358 255 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 255 V C 2.276 178.343 176.094 -0.044 0.000 1.047 255 V CA 1.748 64.018 62.300 -0.049 0.000 1.035 255 V CB -0.864 30.930 31.823 -0.049 0.000 0.658 255 V HN 0.491 nan 8.190 nan 0.000 0.452 256 A N -0.108 122.681 122.820 -0.052 0.000 1.933 256 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 256 A C 2.402 179.968 177.584 -0.031 0.000 1.175 256 A CA 2.039 54.052 52.037 -0.041 0.000 0.628 256 A CB -0.683 18.290 19.000 -0.046 0.000 0.814 256 A HN 0.565 nan 8.150 nan 0.000 0.444 257 A N -0.535 122.265 122.820 -0.033 0.000 1.898 257 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 257 A C 2.389 179.958 177.584 -0.024 0.000 1.181 257 A CA 1.809 53.831 52.037 -0.025 0.000 0.620 257 A CB -1.293 17.690 19.000 -0.028 0.000 0.819 257 A HN 0.709 nan 8.150 nan 0.000 0.442 258 G N -0.895 107.888 108.800 -0.028 0.000 2.422 258 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.218 258 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.218 258 G C 1.664 176.550 174.900 -0.024 0.000 1.140 258 G CA 1.233 46.317 45.100 -0.026 0.000 0.775 258 G HN 0.501 nan 8.290 nan 0.000 0.545 259 S N 0.313 115.998 115.700 -0.025 0.000 2.489 259 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 259 S C 2.306 176.892 174.600 -0.023 0.000 0.995 259 S CA 1.000 59.186 58.200 -0.024 0.000 0.934 259 S CB 0.058 63.242 63.200 -0.026 0.000 0.771 259 S HN 0.626 nan 8.310 nan 0.000 0.522 260 S N 3.219 118.907 115.700 -0.021 0.000 2.965 260 S HA 0.116 4.586 4.470 -0.000 0.000 0.165 260 S C 0.919 175.510 174.600 -0.015 0.000 0.735 260 S CA 0.109 58.297 58.200 -0.019 0.000 0.985 260 S CB -0.514 62.677 63.200 -0.014 0.000 0.675 260 S HN 0.475 nan 8.310 nan 0.000 0.592 261 N N 1.310 120.006 118.700 -0.007 0.000 2.234 261 N HA 0.260 5.000 4.740 -0.000 0.000 0.227 261 N C 0.108 175.614 175.510 -0.007 0.000 1.151 261 N CA -0.129 52.918 53.050 -0.004 0.000 0.865 261 N CB -0.449 38.043 38.487 0.008 0.000 1.066 261 N HN 0.638 nan 8.380 nan 0.000 0.515 262 L N -0.306 120.909 121.223 -0.012 0.000 3.865 262 L HA -0.290 4.050 4.340 -0.000 0.000 0.408 262 L C -0.041 176.817 176.870 -0.019 0.000 1.209 262 L CA 0.615 55.445 54.840 -0.018 0.000 0.940 262 L CB -1.754 40.295 42.059 -0.018 0.000 1.971 262 L HN 0.449 nan 8.230 nan 0.000 0.899 263 K N 0.003 120.393 120.400 -0.016 0.000 2.440 263 K HA 0.379 4.699 4.320 -0.000 0.000 0.270 263 K C 0.367 176.947 176.600 -0.034 0.000 0.980 263 K CA -0.508 55.766 56.287 -0.021 0.000 0.953 263 K CB 0.450 32.943 32.500 -0.011 0.000 0.925 263 K HN 0.023 nan 8.250 nan 0.000 0.497 264 R N 1.015 121.486 120.500 -0.049 0.000 2.594 264 R HA 0.265 4.605 4.340 -0.000 0.000 0.272 264 R C -0.635 175.625 176.300 -0.068 0.000 1.074 264 R CA -0.416 55.645 56.100 -0.065 0.000 1.105 264 R CB 1.008 31.256 30.300 -0.088 0.000 1.008 264 R HN 0.448 nan 8.270 nan 0.000 0.472 265 V N 1.668 121.545 119.914 -0.062 0.000 2.638 265 V HA 0.545 4.665 4.120 -0.000 0.000 0.306 265 V C -0.468 175.600 176.094 -0.043 0.000 1.052 265 V CA -0.760 61.515 62.300 -0.042 0.000 0.885 265 V CB 2.132 33.940 31.823 -0.025 0.000 0.999 265 V HN 0.998 nan 8.190 nan 0.000 0.424 266 T N 2.878 117.418 114.554 -0.024 0.000 2.893 266 T HA 0.872 5.222 4.350 -0.000 0.000 0.291 266 T C -1.011 173.733 174.700 0.075 0.000 1.028 266 T CA -0.745 61.355 62.100 0.001 0.000 0.995 266 T CB 1.810 70.659 68.868 -0.032 0.000 1.051 266 T HN 0.378 nan 8.240 nan 0.000 0.470 267 L N 1.673 122.950 121.223 0.090 0.000 2.410 267 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 267 L C -0.472 176.479 176.870 0.135 0.000 0.983 267 L CA -0.899 54.036 54.840 0.158 0.000 0.822 267 L CB 2.289 44.444 42.059 0.159 0.000 1.285 267 L HN 0.648 nan 8.230 nan 0.000 0.409 268 E N 4.930 125.214 120.200 0.139 0.000 2.141 268 E HA 0.524 4.874 4.350 -0.000 0.000 0.259 268 E C -0.751 175.909 176.600 0.100 0.000 0.883 268 E CA -0.239 56.238 56.400 0.128 0.000 0.744 268 E CB 2.327 32.122 29.700 0.160 0.000 1.150 268 E HN 0.479 nan 8.360 nan 0.000 0.420 269 L N 0.263 121.563 121.223 0.129 0.000 2.664 269 L HA 0.643 4.983 4.340 -0.000 0.000 0.253 269 L C 1.201 178.132 176.870 0.101 0.000 1.293 269 L CA -1.104 53.817 54.840 0.134 0.000 1.280 269 L CB 0.270 42.443 42.059 0.190 0.000 1.993 269 L HN 0.417 nan 8.230 nan 0.000 0.577 270 G N -1.600 107.254 108.800 0.091 0.000 2.563 270 G HA2 0.580 4.540 3.960 -0.000 0.000 0.283 270 G HA3 0.580 4.540 3.960 -0.000 0.000 0.283 270 G C -0.612 174.148 174.900 -0.233 0.000 1.309 270 G CA 0.136 45.197 45.100 -0.065 0.000 1.022 270 G HN 0.792 nan 8.290 nan 0.000 0.501 271 G N -1.783 106.674 108.800 -0.573 0.000 2.663 271 G HA2 0.505 4.465 3.960 -0.000 0.000 0.299 271 G HA3 0.505 4.465 3.960 -0.000 0.000 0.299 271 G C -1.358 173.107 174.900 -0.725 0.000 1.372 271 G CA -0.602 44.102 45.100 -0.659 0.000 0.781 271 G HN 0.593 nan 8.290 nan 0.000 0.491 272 K N 0.526 120.768 120.400 -0.263 0.000 3.207 272 K HA 0.438 4.758 4.320 -0.000 0.000 0.166 272 K C -0.218 176.421 176.600 0.065 0.000 1.079 272 K CA -0.296 55.957 56.287 -0.057 0.000 0.818 272 K CB 0.253 32.808 32.500 0.091 0.000 0.967 272 K HN 0.405 nan 8.250 nan 0.000 0.594 273 S N 3.163 118.913 115.700 0.083 0.000 2.533 273 S HA 0.213 4.683 4.470 -0.000 0.000 0.282 273 S C -2.417 172.302 174.600 0.198 0.000 1.304 273 S CA -0.692 57.602 58.200 0.158 0.000 1.063 273 S CB 0.417 63.764 63.200 0.245 0.000 0.881 273 S HN 0.341 nan 8.310 nan 0.000 0.493 274 P HA 0.254 nan 4.420 nan 0.000 0.286 274 P C -0.893 176.602 177.300 0.324 0.000 1.269 274 P CA -0.588 62.697 63.100 0.308 0.000 0.787 274 P CB 0.352 32.221 31.700 0.282 0.000 0.920 275 N N 3.630 122.525 118.700 0.325 0.000 2.518 275 N HA 0.342 5.082 4.740 -0.000 0.000 0.254 275 N C -0.985 174.706 175.510 0.300 0.000 0.979 275 N CA -0.557 52.699 53.050 0.342 0.000 0.930 275 N CB 0.486 39.095 38.487 0.204 0.000 1.152 275 N HN 0.277 nan 8.380 nan 0.000 0.505 276 I N 4.959 125.715 120.570 0.310 0.000 2.307 276 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 276 I C -0.166 176.133 176.117 0.303 0.000 1.021 276 I CA -0.735 60.711 61.300 0.243 0.000 1.224 276 I CB 1.119 39.154 38.000 0.058 0.000 1.376 276 I HN 0.380 nan 8.210 nan 0.000 0.470 277 I N 6.918 127.644 120.570 0.259 0.000 2.306 277 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 277 I C 0.252 176.532 176.117 0.272 0.000 1.036 277 I CA -0.434 60.981 61.300 0.192 0.000 1.221 277 I CB 0.723 38.628 38.000 -0.159 0.000 1.385 277 I HN 0.474 nan 8.210 nan 0.000 0.472 278 M N 3.852 123.629 119.600 0.295 0.000 2.247 278 M HA 0.161 4.641 4.480 -0.000 0.000 0.326 278 M C 1.664 178.055 176.300 0.151 0.000 1.134 278 M CA -0.082 55.372 55.300 0.257 0.000 1.136 278 M CB 0.721 33.463 32.600 0.236 0.000 1.454 278 M HN 0.655 nan 8.290 nan 0.000 0.467 279 S N 0.305 116.057 115.700 0.088 0.000 2.442 279 S HA -0.156 4.314 4.470 -0.000 0.000 0.236 279 S C 0.803 175.456 174.600 0.089 0.000 1.007 279 S CA 1.369 59.603 58.200 0.057 0.000 0.965 279 S CB -0.549 62.661 63.200 0.017 0.000 0.773 279 S HN 0.756 nan 8.310 nan 0.000 0.504 280 D N 1.645 122.110 120.400 0.108 0.000 2.340 280 D HA 0.383 5.022 4.640 -0.000 0.000 0.217 280 D C 0.597 176.985 176.300 0.147 0.000 1.081 280 D CA 0.114 54.179 54.000 0.110 0.000 0.842 280 D CB -0.346 40.509 40.800 0.092 0.000 0.934 280 D HN 0.504 nan 8.370 nan 0.000 0.511 281 A N 0.513 123.448 122.820 0.190 0.000 2.406 281 A HA 0.197 4.517 4.320 -0.000 0.000 0.243 281 A C -0.024 177.710 177.584 0.249 0.000 1.082 281 A CA -0.311 51.886 52.037 0.266 0.000 0.786 281 A CB 0.053 19.255 19.000 0.336 0.000 1.029 281 A HN 0.156 nan 8.150 nan 0.000 0.495 282 D N 1.409 121.994 120.400 0.308 0.000 2.342 282 D HA 0.185 4.825 4.640 -0.000 0.000 0.260 282 D C 1.068 177.542 176.300 0.291 0.000 1.278 282 D CA -0.145 54.020 54.000 0.275 0.000 0.910 282 D CB 0.318 41.294 40.800 0.292 0.000 1.079 282 D HN 0.431 nan 8.370 nan 0.000 0.496 283 M N 3.599 123.325 119.600 0.210 0.000 2.088 283 M HA -0.213 4.267 4.480 -0.000 0.000 0.256 283 M C 1.014 177.402 176.300 0.147 0.000 1.071 283 M CA 1.883 57.294 55.300 0.185 0.000 1.097 283 M CB -0.205 32.474 32.600 0.132 0.000 1.315 283 M HN 0.451 nan 8.290 nan 0.000 0.406 284 D N -1.278 119.209 120.400 0.145 0.000 2.117 284 D HA -0.235 4.405 4.640 -0.000 0.000 0.198 284 D C 1.946 178.350 176.300 0.173 0.000 0.982 284 D CA 1.509 55.576 54.000 0.111 0.000 0.828 284 D CB -0.728 40.141 40.800 0.114 0.000 0.967 284 D HN 0.680 nan 8.370 nan 0.000 0.464 285 W N 1.989 123.330 121.300 0.068 0.000 2.355 285 W HA -0.156 4.504 4.660 -0.000 0.000 0.309 285 W C 2.243 178.818 176.519 0.093 0.000 1.206 285 W CA 1.505 58.918 57.345 0.112 0.000 1.284 285 W CB 0.027 29.596 29.460 0.181 0.000 1.145 285 W HN -0.065 nan 8.180 nan 0.000 0.502 286 A N 0.294 123.150 122.820 0.061 0.000 1.933 286 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 286 A C 2.027 179.486 177.584 -0.208 0.000 1.175 286 A CA 2.036 53.897 52.037 -0.294 0.000 0.628 286 A CB -1.103 17.897 19.000 0.000 0.000 0.814 286 A HN 0.166 nan 8.150 nan 0.000 0.444 287 V N -0.204 119.624 119.914 -0.144 0.000 2.358 287 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 287 V C 2.624 178.581 176.094 -0.230 0.000 1.047 287 V CA 2.360 64.442 62.300 -0.363 0.000 1.035 287 V CB -0.553 31.008 31.823 -0.436 0.000 0.658 287 V HN 0.667 nan 8.190 nan 0.000 0.452 288 E N -0.129 119.960 120.200 -0.185 0.000 2.072 288 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 288 E C 2.296 178.820 176.600 -0.127 0.000 0.985 288 E CA 1.236 57.554 56.400 -0.137 0.000 0.801 288 E CB -0.237 29.394 29.700 -0.115 0.000 0.750 288 E HN 0.477 nan 8.360 nan 0.000 0.452 289 Q N -0.238 119.357 119.800 -0.342 0.000 2.084 289 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 289 Q C 2.138 178.055 176.000 -0.138 0.000 0.978 289 Q CA 1.463 57.100 55.803 -0.277 0.000 0.844 289 Q CB -0.480 27.969 28.738 -0.480 0.000 0.898 289 Q HN 0.373 nan 8.270 nan 0.000 0.426 290 A N 0.130 122.826 122.820 -0.206 0.000 1.933 290 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 290 A C 1.915 179.469 177.584 -0.050 0.000 1.175 290 A CA 1.881 53.839 52.037 -0.133 0.000 0.628 290 A CB -0.776 18.273 19.000 0.082 0.000 0.814 290 A HN 0.488 nan 8.150 nan 0.000 0.444 291 H N -1.383 117.675 119.070 -0.019 0.000 2.293 291 H HA -0.179 4.377 4.556 -0.000 0.000 0.300 291 H C 1.756 177.223 175.328 0.231 0.000 1.082 291 H CA 2.319 58.467 56.048 0.166 0.000 1.308 291 H CB -0.469 29.351 29.762 0.098 0.000 1.375 291 H HN 0.479 nan 8.280 nan 0.000 0.495 292 F N 0.814 120.822 119.950 0.098 0.000 2.091 292 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 292 F C 2.517 178.280 175.800 -0.062 0.000 1.103 292 F CA 1.695 59.725 58.000 0.052 0.000 1.228 292 F CB -0.657 38.338 39.000 -0.008 0.000 0.984 292 F HN 0.307 nan 8.300 nan 0.000 0.477 293 A N 0.224 122.769 122.820 -0.457 0.000 1.940 293 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 293 A C 2.080 179.295 177.584 -0.615 0.000 1.176 293 A CA 2.031 53.551 52.037 -0.861 0.000 0.631 293 A CB -1.026 17.162 19.000 -1.355 0.000 0.814 293 A HN 0.597 nan 8.150 nan 0.000 0.446 294 L N -2.879 118.050 121.223 -0.489 0.000 2.200 294 L HA 0.276 4.616 4.340 -0.000 0.000 0.200 294 L C 1.956 178.514 176.870 -0.521 0.000 1.072 294 L CA 1.211 55.731 54.840 -0.533 0.000 0.787 294 L CB -0.128 41.502 42.059 -0.716 0.000 0.957 294 L HN 0.296 nan 8.230 nan 0.000 0.459 295 F N -1.239 118.536 119.950 -0.292 0.000 2.710 295 F HA 0.056 4.583 4.527 0.000 0.000 0.298 295 F C 0.962 176.682 175.800 -0.134 0.000 1.137 295 F CA -0.146 57.702 58.000 -0.254 0.000 1.444 295 F CB -0.218 38.519 39.000 -0.437 0.000 1.111 295 F HN -0.070 nan 8.300 nan 0.000 0.580 296 F N 1.981 121.857 119.950 -0.123 0.000 2.629 296 F HA -0.033 4.494 4.527 0.000 0.000 0.369 296 F C 1.253 177.005 175.800 -0.080 0.000 1.125 296 F CA -0.078 57.879 58.000 -0.071 0.000 1.330 296 F CB 0.151 39.008 39.000 -0.239 0.000 1.071 296 F HN 0.085 nan 8.300 nan 0.000 0.595 297 N N 3.283 121.405 118.700 -0.964 0.000 2.727 297 N HA -0.304 4.436 4.740 -0.000 0.000 0.249 297 N C -0.025 175.247 175.510 -0.397 0.000 1.048 297 N CA 1.403 53.992 53.050 -0.768 0.000 0.714 297 N CB -1.043 36.974 38.487 -0.783 0.000 0.959 297 N HN 0.761 nan 8.380 nan 0.000 0.544 298 Q N -2.387 117.264 119.800 -0.248 0.000 2.494 298 Q HA -0.164 4.176 4.340 -0.000 0.000 0.266 298 Q C 1.132 177.054 176.000 -0.129 0.000 1.053 298 Q CA 2.155 57.884 55.803 -0.124 0.000 1.029 298 Q CB -1.820 26.845 28.738 -0.122 0.000 1.423 298 Q HN 1.191 nan 8.270 nan 0.000 0.516 299 G N -0.953 107.741 108.800 -0.177 0.000 2.168 299 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.263 299 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.263 299 G C 0.130 174.764 174.900 -0.443 0.000 0.977 299 G CA 0.446 45.395 45.100 -0.251 0.000 0.659 299 G HN 0.452 nan 8.290 nan 0.000 0.533 300 Q N -0.000 119.485 119.800 -0.525 0.000 3.041 300 Q HA 0.463 4.803 4.340 -0.000 0.000 0.372 300 Q C -0.103 175.380 176.000 -0.861 0.000 1.241 300 Q CA -0.156 55.015 55.803 -1.053 0.000 1.010 300 Q CB 0.321 28.784 28.738 -0.458 0.000 1.467 300 Q HN 0.445 nan 8.270 nan 0.000 0.462 301 C N -0.785 118.148 119.300 -0.611 0.000 2.441 301 C HA 0.250 4.710 4.460 -0.000 0.000 0.318 301 C C 1.685 176.726 174.990 0.085 0.000 1.222 301 C CA -0.938 58.050 59.018 -0.050 0.000 1.474 301 C CB 0.963 28.791 27.740 0.147 0.000 2.125 301 C HN 0.757 nan 8.230 nan 0.000 0.479 302 C N 0.790 120.268 119.300 0.297 0.000 2.422 302 C HA -0.112 4.348 4.460 -0.000 0.000 0.279 302 C C 2.178 177.323 174.990 0.259 0.000 1.305 302 C CA 1.039 60.261 59.018 0.339 0.000 1.757 302 C CB -1.584 26.314 27.740 0.263 0.000 1.962 302 C HN 1.010 nan 8.230 nan 0.000 0.499 303 C N 0.666 120.172 119.300 0.343 0.000 2.688 303 C HA 0.690 5.150 4.460 -0.000 0.000 0.297 303 C C 1.242 176.484 174.990 0.419 0.000 1.308 303 C CA -1.137 58.133 59.018 0.421 0.000 1.726 303 C CB -2.292 25.873 27.740 0.709 0.000 1.982 303 C HN 0.507 nan 8.230 nan 0.000 0.604 304 A N 1.176 124.132 122.820 0.226 0.000 2.565 304 A HA 0.428 4.748 4.320 -0.000 0.000 0.237 304 A C 1.153 178.785 177.584 0.079 0.000 1.053 304 A CA 0.872 52.960 52.037 0.085 0.000 0.755 304 A CB -0.138 18.818 19.000 -0.073 0.000 0.980 304 A HN 1.187 nan 8.150 nan 0.000 0.506 305 G N 1.675 110.402 108.800 -0.123 0.000 2.916 305 G HA2 0.334 4.294 3.960 -0.000 0.000 0.280 305 G HA3 0.334 4.294 3.960 -0.000 0.000 0.280 305 G C 0.889 175.699 174.900 -0.151 0.000 0.758 305 G CA 0.381 45.389 45.100 -0.154 0.000 1.993 305 G HN 1.201 nan 8.290 nan 0.000 0.564 306 S N 0.899 116.554 115.700 -0.075 0.000 2.575 306 S HA 0.200 4.670 4.470 -0.000 0.000 0.215 306 S C 0.944 175.484 174.600 -0.099 0.000 0.966 306 S CA -0.357 57.776 58.200 -0.113 0.000 0.911 306 S CB 0.484 63.625 63.200 -0.099 0.000 0.780 306 S HN 0.407 nan 8.310 nan 0.000 0.514 307 R N 1.824 122.281 120.500 -0.071 0.000 2.407 307 R HA 0.316 4.656 4.340 -0.000 0.000 0.298 307 R C -1.236 174.957 176.300 -0.178 0.000 1.166 307 R CA -0.108 55.890 56.100 -0.169 0.000 1.006 307 R CB 1.337 31.565 30.300 -0.120 0.000 1.145 307 R HN 0.126 nan 8.270 nan 0.000 0.538 308 T N 4.003 118.441 114.554 -0.194 0.000 2.794 308 T HA 0.259 4.609 4.350 -0.000 0.000 0.304 308 T C -0.182 174.431 174.700 -0.145 0.000 0.973 308 T CA -0.042 61.999 62.100 -0.099 0.000 0.972 308 T CB -0.100 68.747 68.868 -0.035 0.000 0.952 308 T HN 0.183 nan 8.240 nan 0.000 0.509 309 F N 2.681 122.659 119.950 0.046 0.000 2.424 309 F HA 0.436 4.963 4.527 0.000 0.000 0.356 309 F C 0.339 176.285 175.800 0.244 0.000 1.110 309 F CA -0.701 57.389 58.000 0.151 0.000 1.161 309 F CB 0.889 39.885 39.000 -0.008 0.000 1.115 309 F HN 0.185 nan 8.300 nan 0.000 0.507 310 V N 4.017 124.185 119.914 0.423 0.000 2.487 310 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 310 V C -0.088 175.981 176.094 -0.043 0.000 1.028 310 V CA -1.083 61.293 62.300 0.126 0.000 0.860 310 V CB 1.507 33.202 31.823 -0.212 0.000 0.991 310 V HN 0.565 nan 8.190 nan 0.000 0.427 311 Q N 3.194 122.744 119.800 -0.416 0.000 2.330 311 Q HA 0.014 4.354 4.340 -0.000 0.000 0.279 311 Q C 1.436 177.229 176.000 -0.346 0.000 1.024 311 Q CA 0.371 55.627 55.803 -0.912 0.000 0.900 311 Q CB 1.128 29.512 28.738 -0.591 0.000 1.221 311 Q HN 1.011 nan 8.270 nan 0.000 0.396 312 E N 2.803 122.805 120.200 -0.329 0.000 2.130 312 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 312 E C 0.341 176.925 176.600 -0.026 0.000 0.998 312 E CA 1.642 57.964 56.400 -0.130 0.000 0.806 312 E CB -0.004 29.609 29.700 -0.145 0.000 0.738 312 E HN 0.550 nan 8.360 nan 0.000 0.459 313 D N 1.151 121.519 120.400 -0.053 0.000 2.265 313 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 313 D C 1.968 178.291 176.300 0.039 0.000 0.977 313 D CA 1.426 55.424 54.000 -0.004 0.000 0.871 313 D CB -0.083 40.709 40.800 -0.014 0.000 0.925 313 D HN 0.640 nan 8.370 nan 0.000 0.485 314 I N -3.884 116.717 120.570 0.051 0.000 4.154 314 I HA 0.179 4.349 4.170 -0.000 0.000 0.334 314 I C 1.754 177.958 176.117 0.145 0.000 1.371 314 I CA -0.555 60.801 61.300 0.093 0.000 1.110 314 I CB -0.098 37.956 38.000 0.090 0.000 1.085 314 I HN -0.241 nan 8.210 nan 0.000 0.398 315 Y N 2.985 123.295 120.300 0.017 0.000 2.081 315 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 315 Y C 2.098 178.064 175.900 0.111 0.000 1.163 315 Y CA 2.365 60.493 58.100 0.047 0.000 1.135 315 Y CB -0.114 38.346 38.460 0.001 0.000 0.970 315 Y HN 0.199 nan 8.280 nan 0.000 0.498 316 D N 0.061 120.599 120.400 0.230 0.000 2.092 316 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 316 D C 2.110 178.431 176.300 0.036 0.000 0.994 316 D CA 1.802 55.880 54.000 0.130 0.000 0.828 316 D CB -0.513 40.374 40.800 0.145 0.000 0.963 316 D HN 0.614 nan 8.370 nan 0.000 0.450 317 E N -0.463 119.774 120.200 0.062 0.000 2.051 317 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 317 E C 2.131 178.743 176.600 0.020 0.000 0.991 317 E CA 0.514 56.937 56.400 0.038 0.000 0.799 317 E CB -0.239 29.495 29.700 0.057 0.000 0.748 317 E HN 0.218 nan 8.360 nan 0.000 0.449 318 F N 0.821 120.718 119.950 -0.089 0.000 2.095 318 F HA -0.242 4.285 4.527 0.000 0.000 0.298 318 F C 2.102 177.805 175.800 -0.163 0.000 1.104 318 F CA 1.440 59.371 58.000 -0.114 0.000 1.232 318 F CB -0.191 38.740 39.000 -0.114 0.000 0.987 318 F HN -0.107 nan 8.300 nan 0.000 0.475 319 V N 0.314 120.203 119.914 -0.042 0.000 2.295 319 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 319 V C 2.299 178.317 176.094 -0.126 0.000 1.049 319 V CA 2.300 64.516 62.300 -0.139 0.000 1.024 319 V CB -0.740 30.909 31.823 -0.290 0.000 0.648 319 V HN 0.355 nan 8.190 nan 0.000 0.447 320 E N -0.115 120.026 120.200 -0.098 0.000 2.049 320 E HA -0.280 4.070 4.350 -0.000 0.000 0.198 320 E C 2.496 179.026 176.600 -0.118 0.000 1.007 320 E CA 1.750 58.102 56.400 -0.080 0.000 0.809 320 E CB -0.149 29.521 29.700 -0.051 0.000 0.749 320 E HN 0.507 nan 8.360 nan 0.000 0.450 321 R N 0.005 120.407 120.500 -0.164 0.000 2.096 321 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 321 R C 2.573 178.726 176.300 -0.246 0.000 1.127 321 R CA 1.294 57.273 56.100 -0.202 0.000 0.968 321 R CB -0.115 30.043 30.300 -0.236 0.000 0.861 321 R HN 0.001 nan 8.270 nan 0.000 0.440 322 S N 0.079 115.593 115.700 -0.311 0.000 2.355 322 S HA -0.096 4.374 4.470 -0.000 0.000 0.222 322 S C 2.069 176.611 174.600 -0.097 0.000 1.031 322 S CA 1.197 59.255 58.200 -0.236 0.000 0.993 322 S CB -0.131 62.925 63.200 -0.239 0.000 0.859 322 S HN 0.060 nan 8.310 nan 0.000 0.453 323 V N 2.139 122.001 119.914 -0.088 0.000 2.332 323 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 323 V C 2.624 178.670 176.094 -0.081 0.000 1.055 323 V CA 1.794 64.059 62.300 -0.059 0.000 1.038 323 V CB -1.209 30.582 31.823 -0.054 0.000 0.651 323 V HN 0.541 nan 8.190 nan 0.000 0.450 324 A N 0.260 123.019 122.820 -0.102 0.000 1.877 324 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 324 A C 2.305 179.803 177.584 -0.143 0.000 1.186 324 A CA 2.162 54.134 52.037 -0.108 0.000 0.620 324 A CB -0.545 18.392 19.000 -0.105 0.000 0.822 324 A HN 0.460 nan 8.150 nan 0.000 0.443 325 R N 0.257 120.646 120.500 -0.185 0.000 2.081 325 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 325 R C 2.099 178.213 176.300 -0.310 0.000 1.131 325 R CA 1.968 57.888 56.100 -0.301 0.000 0.960 325 R CB -0.920 29.143 30.300 -0.394 0.000 0.856 325 R HN 0.394 nan 8.270 nan 0.000 0.436 326 A N 0.536 123.264 122.820 -0.154 0.000 1.898 326 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 326 A C 2.031 179.516 177.584 -0.166 0.000 1.181 326 A CA 1.606 53.550 52.037 -0.156 0.000 0.620 326 A CB -0.407 18.540 19.000 -0.089 0.000 0.819 326 A HN 0.374 nan 8.150 nan 0.000 0.442 327 K N 0.294 120.620 120.400 -0.124 0.000 2.147 327 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 327 K C 2.087 178.624 176.600 -0.104 0.000 1.049 327 K CA 1.555 57.781 56.287 -0.101 0.000 0.936 327 K CB -0.137 32.315 32.500 -0.081 0.000 0.722 327 K HN 0.660 nan 8.250 nan 0.000 0.446 328 S N 0.420 116.044 115.700 -0.126 0.000 2.593 328 S HA -0.001 4.469 4.470 -0.000 0.000 0.217 328 S C 0.733 175.265 174.600 -0.114 0.000 0.966 328 S CA -0.335 57.797 58.200 -0.114 0.000 0.914 328 S CB -0.030 63.096 63.200 -0.124 0.000 0.776 328 S HN 0.140 nan 8.310 nan 0.000 0.523 329 R N 1.627 122.047 120.500 -0.133 0.000 2.449 329 R HA 0.251 4.591 4.340 -0.000 0.000 0.296 329 R C -1.058 175.202 176.300 -0.066 0.000 1.047 329 R CA -0.145 55.894 56.100 -0.101 0.000 1.018 329 R CB 0.385 30.610 30.300 -0.126 0.000 0.962 329 R HN 0.165 nan 8.270 nan 0.000 0.428 330 V N 6.563 126.455 119.914 -0.037 0.000 2.372 330 V HA 0.115 4.235 4.120 -0.000 0.000 0.261 330 V C 0.039 176.131 176.094 -0.003 0.000 1.055 330 V CA -0.350 61.935 62.300 -0.025 0.000 0.930 330 V CB 1.136 32.949 31.823 -0.017 0.000 1.031 330 V HN 0.493 nan 8.190 nan 0.000 0.479 331 V N 5.149 125.060 119.914 -0.004 0.000 2.481 331 V HA 0.980 5.100 4.120 -0.000 0.000 0.286 331 V C 0.756 176.837 176.094 -0.023 0.000 1.042 331 V CA 0.648 62.972 62.300 0.039 0.000 0.928 331 V CB 0.945 32.809 31.823 0.068 0.000 0.986 331 V HN 1.095 nan 8.190 nan 0.000 0.462 332 G N 3.506 112.319 108.800 0.021 0.000 2.360 332 G HA2 0.079 4.039 3.960 -0.000 0.000 0.276 332 G HA3 0.079 4.039 3.960 -0.000 0.000 0.276 332 G C -0.960 173.966 174.900 0.043 0.000 1.256 332 G CA -0.795 44.221 45.100 -0.140 0.000 0.890 332 G HN 0.611 nan 8.290 nan 0.000 0.486 333 N N 2.040 120.732 118.700 -0.012 0.000 2.434 333 N HA 0.193 4.933 4.740 -0.000 0.000 0.268 333 N C -0.828 174.738 175.510 0.094 0.000 1.256 333 N CA -1.280 51.824 53.050 0.090 0.000 0.914 333 N CB 1.461 39.987 38.487 0.066 0.000 1.088 333 N HN 0.105 nan 8.380 nan 0.000 0.478 334 P HA -0.112 nan 4.420 nan 0.000 0.225 334 P C 0.856 178.073 177.300 -0.137 0.000 1.148 334 P CA 1.177 64.229 63.100 -0.080 0.000 0.779 334 P CB -0.042 31.529 31.700 -0.215 0.000 0.780 335 F N -0.326 119.655 119.950 0.051 0.000 2.710 335 F HA 0.050 4.577 4.527 0.000 0.000 0.298 335 F C 1.325 177.134 175.800 0.015 0.000 1.137 335 F CA 0.094 58.100 58.000 0.011 0.000 1.444 335 F CB -0.114 38.843 39.000 -0.072 0.000 1.111 335 F HN -0.127 nan 8.300 nan 0.000 0.580 336 D N 0.372 120.870 120.400 0.164 0.000 2.348 336 D HA -0.022 4.618 4.640 -0.000 0.000 0.253 336 D C 1.271 177.626 176.300 0.093 0.000 1.161 336 D CA 0.283 54.343 54.000 0.100 0.000 0.876 336 D CB 1.415 42.249 40.800 0.056 0.000 1.160 336 D HN 0.155 nan 8.370 nan 0.000 0.459 337 S N 3.624 119.378 115.700 0.090 0.000 2.440 337 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 337 S C 1.395 176.028 174.600 0.055 0.000 1.010 337 S CA 0.829 59.080 58.200 0.085 0.000 0.972 337 S CB 0.006 63.249 63.200 0.072 0.000 0.774 337 S HN 0.504 nan 8.310 nan 0.000 0.501 338 K N 0.836 121.260 120.400 0.039 0.000 2.418 338 K HA 0.119 4.439 4.320 -0.000 0.000 0.195 338 K C -0.006 176.608 176.600 0.022 0.000 1.035 338 K CA 0.324 56.625 56.287 0.023 0.000 1.003 338 K CB -0.012 32.494 32.500 0.009 0.000 0.793 338 K HN 0.280 nan 8.250 nan 0.000 0.494 339 T N 1.717 116.290 114.554 0.031 0.000 2.799 339 T HA 0.041 4.391 4.350 -0.000 0.000 0.296 339 T C 0.756 175.476 174.700 0.034 0.000 0.947 339 T CA 0.231 62.349 62.100 0.031 0.000 1.141 339 T CB 1.065 69.958 68.868 0.041 0.000 0.891 339 T HN 0.177 nan 8.240 nan 0.000 0.533 340 E N 1.939 122.158 120.200 0.032 0.000 2.276 340 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 340 E C 0.824 177.443 176.600 0.032 0.000 0.983 340 E CA 0.287 56.714 56.400 0.044 0.000 0.861 340 E CB 0.520 30.252 29.700 0.053 0.000 0.817 340 E HN 0.547 nan 8.360 nan 0.000 0.485 341 Q N 0.197 120.018 119.800 0.036 0.000 2.274 341 Q HA 0.396 4.736 4.340 -0.000 0.000 0.268 341 Q C -0.544 175.513 176.000 0.096 0.000 1.015 341 Q CA -0.612 55.213 55.803 0.036 0.000 0.775 341 Q CB 1.711 30.478 28.738 0.048 0.000 1.256 341 Q HN 0.135 nan 8.270 nan 0.000 0.442 342 G N 3.221 112.041 108.800 0.032 0.000 2.494 342 G HA2 0.526 4.486 3.960 -0.000 0.000 0.270 342 G HA3 0.526 4.486 3.960 -0.000 0.000 0.270 342 G C -2.476 172.335 174.900 -0.150 0.000 1.423 342 G CA -0.924 44.204 45.100 0.048 0.000 1.055 342 G HN 0.549 nan 8.290 nan 0.000 0.536 343 P HA 0.173 nan 4.420 nan 0.000 0.276 343 P C -0.623 176.473 177.300 -0.340 0.000 1.252 343 P CA -0.435 62.099 63.100 -0.944 0.000 0.802 343 P CB 0.786 31.729 31.700 -1.262 0.000 1.035 344 Q N 0.173 119.878 119.800 -0.157 0.000 2.492 344 Q HA 0.038 4.378 4.340 -0.000 0.000 0.238 344 Q C 1.322 177.214 176.000 -0.180 0.000 1.045 344 Q CA -0.258 55.497 55.803 -0.079 0.000 0.934 344 Q CB 0.012 28.786 28.738 0.060 0.000 1.276 344 Q HN 0.209 nan 8.270 nan 0.000 0.521 345 V N 0.331 120.063 119.914 -0.304 0.000 2.515 345 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 345 V C 0.241 176.031 176.094 -0.507 0.000 1.058 345 V CA 2.514 64.534 62.300 -0.467 0.000 1.064 345 V CB -0.118 31.139 31.823 -0.944 0.000 0.675 345 V HN 0.980 nan 8.190 nan 0.000 0.461 346 D N -3.358 116.666 120.400 -0.628 0.000 2.779 346 D HA 0.083 4.723 4.640 -0.000 0.000 0.331 346 D C 0.636 176.282 176.300 -1.090 0.000 1.331 346 D CA -0.042 53.447 54.000 -0.852 0.000 0.866 346 D CB 0.568 41.025 40.800 -0.572 0.000 1.409 346 D HN -0.052 nan 8.370 nan 0.000 0.486 347 E N -0.716 118.835 120.200 -1.081 0.000 2.106 347 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 347 E C 1.165 177.665 176.600 -0.167 0.000 0.984 347 E CA 1.596 57.628 56.400 -0.614 0.000 0.806 347 E CB -0.046 29.508 29.700 -0.244 0.000 0.750 347 E HN 0.513 nan 8.360 nan 0.000 0.458 348 T N 1.254 115.703 114.554 -0.174 0.000 2.684 348 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 348 T C 1.792 176.479 174.700 -0.021 0.000 1.036 348 T CA 1.223 63.284 62.100 -0.065 0.000 1.148 348 T CB -0.153 68.676 68.868 -0.064 0.000 0.863 348 T HN 0.152 nan 8.240 nan 0.000 0.436 349 Q N 0.124 119.882 119.800 -0.070 0.000 2.050 349 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 349 Q C 2.074 178.126 176.000 0.088 0.000 0.980 349 Q CA 1.117 56.935 55.803 0.025 0.000 0.840 349 Q CB -0.828 27.884 28.738 -0.042 0.000 0.898 349 Q HN 0.525 nan 8.270 nan 0.000 0.424 350 F N 2.050 121.933 119.950 -0.112 0.000 2.063 350 F HA -0.299 4.228 4.527 0.000 0.000 0.298 350 F C 2.033 177.851 175.800 0.029 0.000 1.109 350 F CA 1.912 59.899 58.000 -0.022 0.000 1.212 350 F CB -0.043 38.948 39.000 -0.015 0.000 0.973 350 F HN 0.020 nan 8.300 nan 0.000 0.480 351 K N -0.204 120.244 120.400 0.081 0.000 2.062 351 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 351 K C 2.185 178.763 176.600 -0.036 0.000 1.051 351 K CA 1.176 57.455 56.287 -0.013 0.000 0.941 351 K CB -0.268 32.267 32.500 0.059 0.000 0.719 351 K HN 0.214 nan 8.250 nan 0.000 0.440 352 K N 1.084 121.492 120.400 0.013 0.000 2.074 352 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 352 K C 2.103 178.768 176.600 0.109 0.000 1.048 352 K CA 1.406 57.712 56.287 0.033 0.000 0.926 352 K CB -0.179 32.395 32.500 0.123 0.000 0.713 352 K HN 0.121 nan 8.250 nan 0.000 0.444 353 I N 1.009 121.655 120.570 0.127 0.000 2.202 353 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 353 I C 2.209 178.374 176.117 0.080 0.000 1.091 353 I CA 1.060 62.458 61.300 0.164 0.000 1.368 353 I CB -0.258 37.795 38.000 0.089 0.000 1.058 353 I HN 0.118 nan 8.210 nan 0.000 0.410 354 L N 0.527 121.705 121.223 -0.075 0.000 2.042 354 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 354 L C 2.722 179.578 176.870 -0.023 0.000 1.076 354 L CA 1.638 56.422 54.840 -0.093 0.000 0.749 354 L CB -1.271 40.656 42.059 -0.220 0.000 0.893 354 L HN 0.336 nan 8.230 nan 0.000 0.432 355 G N -1.056 107.712 108.800 -0.055 0.000 2.440 355 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 355 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 355 G C 1.405 176.251 174.900 -0.090 0.000 1.154 355 G CA 0.756 45.795 45.100 -0.100 0.000 0.767 355 G HN 0.315 nan 8.290 nan 0.000 0.552 356 Y N 0.334 120.643 120.300 0.014 0.000 2.200 356 Y HA 0.007 4.557 4.550 -0.000 0.000 0.290 356 Y C 2.797 178.720 175.900 0.039 0.000 1.137 356 Y CA 0.633 58.744 58.100 0.018 0.000 1.163 356 Y CB -0.073 38.405 38.460 0.031 0.000 0.988 356 Y HN 0.110 nan 8.280 nan 0.000 0.518 357 I N 0.126 120.853 120.570 0.261 0.000 2.163 357 I HA -0.390 3.780 4.170 -0.000 0.000 0.243 357 I C 2.477 178.748 176.117 0.255 0.000 1.085 357 I CA 1.554 63.047 61.300 0.322 0.000 1.347 357 I CB -0.469 37.668 38.000 0.229 0.000 1.044 357 I HN 0.367 nan 8.210 nan 0.000 0.408 358 N N 0.309 119.088 118.700 0.131 0.000 2.120 358 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 358 N C 1.741 177.284 175.510 0.054 0.000 1.024 358 N CA 2.022 55.122 53.050 0.084 0.000 0.852 358 N CB 0.047 38.554 38.487 0.032 0.000 1.003 358 N HN 0.310 nan 8.380 nan 0.000 0.424 359 T N -0.217 114.354 114.554 0.028 0.000 2.720 359 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 359 T C 1.773 176.440 174.700 -0.055 0.000 1.037 359 T CA 1.357 63.455 62.100 -0.004 0.000 1.144 359 T CB -0.711 68.166 68.868 0.016 0.000 0.864 359 T HN 0.428 nan 8.240 nan 0.000 0.444 360 G N 1.775 110.491 108.800 -0.140 0.000 2.421 360 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 360 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 360 G C 1.609 176.379 174.900 -0.217 0.000 1.171 360 G CA 0.615 45.422 45.100 -0.488 0.000 0.775 360 G HN 0.415 nan 8.290 nan 0.000 0.543 361 K N -0.192 120.260 120.400 0.086 0.000 2.032 361 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 361 K C 2.613 179.254 176.600 0.068 0.000 1.048 361 K CA 1.582 57.974 56.287 0.174 0.000 0.927 361 K CB -0.221 32.388 32.500 0.181 0.000 0.712 361 K HN 0.233 nan 8.250 nan 0.000 0.441 362 Q N 1.103 120.923 119.800 0.034 0.000 2.181 362 Q HA -0.147 4.193 4.340 -0.000 0.000 0.205 362 Q C 1.085 177.087 176.000 0.003 0.000 0.980 362 Q CA 1.534 57.348 55.803 0.017 0.000 0.862 362 Q CB 0.183 28.925 28.738 0.007 0.000 0.905 362 Q HN 0.314 nan 8.270 nan 0.000 0.429 363 E N -2.131 118.056 120.200 -0.021 0.000 2.479 363 E HA 0.163 4.513 4.350 -0.000 0.000 0.193 363 E C 0.441 177.030 176.600 -0.018 0.000 1.049 363 E CA 0.356 56.740 56.400 -0.027 0.000 0.870 363 E CB 0.548 30.217 29.700 -0.051 0.000 0.944 363 E HN 0.458 nan 8.360 nan 0.000 0.492 364 G N 1.213 110.013 108.800 0.001 0.000 2.134 364 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.209 364 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.209 364 G C 0.273 175.197 174.900 0.041 0.000 0.993 364 G CA -0.081 45.036 45.100 0.027 0.000 0.669 364 G HN 0.414 nan 8.290 nan 0.000 0.519 365 A N 0.070 122.901 122.820 0.019 0.000 2.371 365 A HA 0.624 4.944 4.320 -0.000 0.000 0.257 365 A C 0.660 178.406 177.584 0.271 0.000 1.089 365 A CA 0.106 52.194 52.037 0.085 0.000 0.794 365 A CB 0.420 19.346 19.000 -0.123 0.000 1.029 365 A HN 0.322 nan 8.150 nan 0.000 0.488 366 K N 1.529 122.094 120.400 0.276 0.000 2.292 366 K HA 0.180 4.500 4.320 -0.000 0.000 0.290 366 K C -0.732 176.010 176.600 0.236 0.000 1.083 366 K CA -0.320 56.102 56.287 0.225 0.000 0.918 366 K CB 0.346 32.940 32.500 0.156 0.000 1.089 366 K HN 0.558 nan 8.250 nan 0.000 0.473 367 L N 5.665 126.976 121.223 0.147 0.000 2.433 367 L HA 0.036 4.376 4.340 -0.000 0.000 0.275 367 L C 0.396 177.204 176.870 -0.104 0.000 1.128 367 L CA 0.644 55.389 54.840 -0.160 0.000 0.875 367 L CB 0.263 42.236 42.059 -0.143 0.000 1.171 367 L HN 0.689 nan 8.230 nan 0.000 0.463 368 L N 4.921 126.061 121.223 -0.139 0.000 2.556 368 L HA 0.238 4.578 4.340 -0.000 0.000 0.226 368 L C 0.351 177.174 176.870 -0.078 0.000 1.089 368 L CA 0.157 54.958 54.840 -0.066 0.000 0.864 368 L CB -0.035 42.006 42.059 -0.030 0.000 1.067 368 L HN 0.850 nan 8.230 nan 0.000 0.477 369 C N -3.456 115.771 119.300 -0.122 0.000 3.197 369 C HA 0.693 5.153 4.460 -0.000 0.000 0.343 369 C C 0.686 175.608 174.990 -0.114 0.000 1.291 369 C CA -0.661 58.301 59.018 -0.093 0.000 1.191 369 C CB 0.747 28.447 27.740 -0.066 0.000 1.444 369 C HN 0.607 nan 8.230 nan 0.000 0.468 370 G N 0.732 109.487 108.800 -0.075 0.000 2.566 370 G HA2 0.372 4.332 3.960 -0.000 0.000 0.280 370 G HA3 0.372 4.332 3.960 -0.000 0.000 0.280 370 G C 1.328 176.185 174.900 -0.073 0.000 1.225 370 G CA 2.309 47.375 45.100 -0.057 0.000 0.966 370 G HN 3.378 nan 8.290 nan 0.000 0.560 371 G N -2.186 106.577 108.800 -0.061 0.000 2.184 371 G HA2 0.487 4.447 3.960 -0.000 0.000 0.206 371 G HA3 0.487 4.447 3.960 -0.000 0.000 0.206 371 G C 1.333 176.228 174.900 -0.007 0.000 0.995 371 G CA 0.898 45.965 45.100 -0.055 0.000 0.651 371 G HN 2.620 nan 8.290 nan 0.000 0.511 372 G N -0.994 107.806 108.800 0.001 0.000 2.788 372 G HA2 0.670 4.630 3.960 -0.000 0.000 0.293 372 G HA3 0.670 4.630 3.960 -0.000 0.000 0.293 372 G C -0.324 174.597 174.900 0.036 0.000 1.392 372 G CA -0.769 44.337 45.100 0.011 0.000 0.810 372 G HN 0.609 nan 8.290 nan 0.000 0.508 373 I N 0.845 121.452 120.570 0.062 0.000 2.813 373 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 373 I C 1.432 177.637 176.117 0.147 0.000 1.196 373 I CA 0.276 61.673 61.300 0.162 0.000 1.421 373 I CB 1.606 39.750 38.000 0.240 0.000 1.365 373 I HN 0.578 nan 8.210 nan 0.000 0.591 374 A N 4.649 127.590 122.820 0.200 0.000 2.288 374 A HA 0.729 5.049 4.320 -0.000 0.000 0.216 374 A C 0.610 178.225 177.584 0.051 0.000 1.199 374 A CA 0.606 52.717 52.037 0.122 0.000 0.891 374 A CB 0.223 19.316 19.000 0.155 0.000 0.923 374 A HN 0.814 nan 8.150 nan 0.000 0.500 375 A N -0.290 122.582 122.820 0.087 0.000 2.586 375 A HA 0.538 4.858 4.320 -0.000 0.000 0.290 375 A C -0.857 176.748 177.584 0.035 0.000 1.086 375 A CA 0.145 52.169 52.037 -0.023 0.000 0.665 375 A CB 0.106 18.968 19.000 -0.230 0.000 1.279 375 A HN 0.169 nan 8.150 nan 0.000 0.423 376 D N -0.661 119.727 120.400 -0.019 0.000 2.398 376 D HA 0.273 4.913 4.640 -0.000 0.000 0.210 376 D C 0.431 176.699 176.300 -0.053 0.000 1.094 376 D CA 0.108 54.100 54.000 -0.012 0.000 0.839 376 D CB 0.337 41.129 40.800 -0.013 0.000 0.963 376 D HN 0.380 nan 8.370 nan 0.000 0.506 377 R N 0.249 120.710 120.500 -0.066 0.000 2.686 377 R HA 0.600 4.940 4.340 -0.000 0.000 0.286 377 R C 0.297 176.559 176.300 -0.064 0.000 0.969 377 R CA -0.324 55.715 56.100 -0.102 0.000 0.898 377 R CB 2.069 32.321 30.300 -0.081 0.000 1.183 377 R HN 0.174 nan 8.270 nan 0.000 0.456 378 G N 1.062 109.672 108.800 -0.316 0.000 2.741 378 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.222 378 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.222 378 G C -0.877 173.503 174.900 -0.868 0.000 1.364 378 G CA -0.458 44.312 45.100 -0.550 0.000 0.866 378 G HN 0.642 nan 8.290 nan 0.000 0.555 379 Y N -0.230 119.778 120.300 -0.487 0.000 2.696 379 Y HA 0.557 5.107 4.550 0.000 0.000 0.378 379 Y C 0.484 176.257 175.900 -0.213 0.000 1.012 379 Y CA -0.726 56.979 58.100 -0.659 0.000 1.396 379 Y CB 0.139 38.280 38.460 -0.532 0.000 1.415 379 Y HN 0.352 nan 8.280 nan 0.000 0.569 380 F N 1.687 121.720 119.950 0.140 0.000 2.396 380 F HA 0.488 5.015 4.527 -0.000 0.000 0.343 380 F C 0.283 176.273 175.800 0.317 0.000 1.104 380 F CA -0.770 57.346 58.000 0.193 0.000 1.161 380 F CB 0.726 39.767 39.000 0.068 0.000 1.146 380 F HN 0.027 nan 8.300 nan 0.000 0.522 381 I N 2.418 123.207 120.570 0.364 0.000 2.608 381 I HA 0.231 4.401 4.170 -0.000 0.000 0.295 381 I C -0.577 175.638 176.117 0.164 0.000 1.049 381 I CA -1.069 60.369 61.300 0.230 0.000 1.063 381 I CB 2.102 40.186 38.000 0.140 0.000 1.248 381 I HN 0.505 nan 8.210 nan 0.000 0.424 382 Q N 5.735 125.601 119.800 0.110 0.000 2.311 382 Q HA 0.158 4.498 4.340 -0.000 0.000 0.272 382 Q C -2.280 173.762 176.000 0.069 0.000 1.012 382 Q CA -1.545 54.297 55.803 0.065 0.000 0.891 382 Q CB 0.067 28.823 28.738 0.030 0.000 1.201 382 Q HN 0.232 nan 8.270 nan 0.000 0.391 383 P HA -0.082 nan 4.420 nan 0.000 0.261 383 P C -1.026 176.328 177.300 0.089 0.000 1.183 383 P CA 0.629 63.760 63.100 0.052 0.000 0.761 383 P CB 0.531 32.062 31.700 -0.282 0.000 0.785 384 T N 2.883 117.567 114.554 0.218 0.000 2.841 384 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 384 T C -0.547 174.184 174.700 0.052 0.000 1.000 384 T CA -0.438 61.685 62.100 0.038 0.000 0.977 384 T CB 1.140 69.991 68.868 -0.028 0.000 0.979 384 T HN -0.050 nan 8.240 nan 0.000 0.446 385 V N 3.670 123.525 119.914 -0.098 0.000 2.531 385 V HA 0.545 4.665 4.120 -0.000 0.000 0.301 385 V C -1.079 174.882 176.094 -0.221 0.000 1.034 385 V CA -0.898 61.371 62.300 -0.051 0.000 0.865 385 V CB 1.367 33.212 31.823 0.038 0.000 0.995 385 V HN 0.833 nan 8.190 nan 0.000 0.424 386 F N 2.360 122.335 119.950 0.042 0.000 2.436 386 F HA 0.766 5.293 4.527 0.000 0.000 0.340 386 F C 0.938 176.769 175.800 0.051 0.000 1.113 386 F CA -0.230 57.794 58.000 0.040 0.000 1.022 386 F CB 2.025 41.041 39.000 0.026 0.000 1.128 386 F HN 0.602 nan 8.300 nan 0.000 0.466 387 G N 0.632 109.590 108.800 0.262 0.000 2.509 387 G HA2 0.366 4.326 3.960 -0.000 0.000 0.328 387 G HA3 0.366 4.326 3.960 -0.000 0.000 0.328 387 G C -0.567 174.481 174.900 0.245 0.000 1.194 387 G CA -0.661 44.583 45.100 0.240 0.000 0.967 387 G HN 0.696 nan 8.290 nan 0.000 0.488 388 D N -1.224 119.349 120.400 0.288 0.000 2.751 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 388 D C 0.656 177.012 176.300 0.093 0.000 1.149 388 D CA 0.655 54.746 54.000 0.152 0.000 0.682 388 D CB -1.246 39.622 40.800 0.114 0.000 1.068 388 D HN 0.204 nan 8.370 nan 0.000 0.429 389 V N 0.864 120.832 119.914 0.090 0.000 2.637 389 V HA 0.003 4.123 4.120 -0.000 0.000 0.296 389 V C 0.910 177.005 176.094 0.002 0.000 1.046 389 V CA 0.249 62.562 62.300 0.022 0.000 1.066 389 V CB 1.561 33.379 31.823 -0.008 0.000 0.968 389 V HN 0.051 nan 8.190 nan 0.000 0.483 390 Q N 2.286 122.082 119.800 -0.006 0.000 2.257 390 Q HA 0.330 4.670 4.340 -0.000 0.000 0.262 390 Q C 0.392 176.398 176.000 0.011 0.000 0.997 390 Q CA -0.762 55.048 55.803 0.012 0.000 0.873 390 Q CB 1.539 30.286 28.738 0.014 0.000 1.312 390 Q HN 0.645 nan 8.270 nan 0.000 0.450 391 D N 1.203 121.630 120.400 0.046 0.000 2.182 391 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 391 D C 1.509 177.833 176.300 0.039 0.000 0.986 391 D CA 1.510 55.547 54.000 0.062 0.000 0.847 391 D CB -0.028 40.832 40.800 0.101 0.000 0.942 391 D HN 0.823 nan 8.370 nan 0.000 0.467 392 G N -0.243 108.573 108.800 0.028 0.000 2.650 392 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.214 392 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.214 392 G C 0.770 175.675 174.900 0.009 0.000 1.136 392 G CA -0.168 44.944 45.100 0.020 0.000 0.789 392 G HN 0.167 nan 8.290 nan 0.000 0.536 393 M N 0.517 120.114 119.600 -0.005 0.000 2.248 393 M HA 0.131 4.611 4.480 -0.000 0.000 0.337 393 M C 1.865 178.158 176.300 -0.012 0.000 1.121 393 M CA -0.072 55.214 55.300 -0.024 0.000 1.155 393 M CB 0.943 33.506 32.600 -0.061 0.000 1.514 393 M HN -0.070 nan 8.290 nan 0.000 0.452 394 T N 2.387 116.940 114.554 -0.002 0.000 2.720 394 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 394 T C 1.510 176.226 174.700 0.026 0.000 1.037 394 T CA 1.721 63.847 62.100 0.043 0.000 1.144 394 T CB -0.428 68.491 68.868 0.084 0.000 0.864 394 T HN 0.761 nan 8.240 nan 0.000 0.444 395 I N -0.415 120.130 120.570 -0.042 0.000 3.083 395 I HA 0.175 4.345 4.170 -0.000 0.000 0.273 395 I C 2.222 178.275 176.117 -0.106 0.000 1.297 395 I CA 0.819 62.053 61.300 -0.111 0.000 1.452 395 I CB -0.361 37.507 38.000 -0.220 0.000 1.078 395 I HN 0.078 nan 8.210 nan 0.000 0.484 396 A N 1.118 123.898 122.820 -0.067 0.000 2.147 396 A HA 0.163 4.483 4.320 -0.000 0.000 0.211 396 A C 2.206 179.794 177.584 0.006 0.000 1.160 396 A CA 0.309 52.318 52.037 -0.046 0.000 0.781 396 A CB -0.060 18.916 19.000 -0.040 0.000 0.842 396 A HN 0.432 nan 8.150 nan 0.000 0.475 397 K N -0.249 120.166 120.400 0.026 0.000 2.329 397 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 397 K C -0.124 176.552 176.600 0.126 0.000 1.085 397 K CA 0.298 56.632 56.287 0.078 0.000 0.961 397 K CB 0.467 33.007 32.500 0.066 0.000 0.971 397 K HN 0.439 nan 8.250 nan 0.000 0.502 398 E N 1.741 121.982 120.200 0.068 0.000 2.214 398 E HA 0.095 4.445 4.350 -0.000 0.000 0.274 398 E C -0.988 175.555 176.600 -0.095 0.000 0.977 398 E CA -0.403 56.044 56.400 0.078 0.000 0.827 398 E CB 1.776 31.559 29.700 0.139 0.000 1.130 398 E HN 0.070 nan 8.360 nan 0.000 0.394 399 E N 2.862 123.030 120.200 -0.054 0.000 2.265 399 E HA 0.001 4.351 4.350 -0.000 0.000 0.272 399 E C 0.245 176.708 176.600 -0.228 0.000 1.067 399 E CA 0.010 56.326 56.400 -0.140 0.000 0.900 399 E CB 0.387 30.000 29.700 -0.145 0.000 1.017 399 E HN 0.523 nan 8.360 nan 0.000 0.431 400 I N 4.415 124.817 120.570 -0.280 0.000 2.494 400 I HA -0.060 4.110 4.170 -0.000 0.000 0.250 400 I C 0.541 176.714 176.117 0.093 0.000 1.112 400 I CA 0.101 61.193 61.300 -0.347 0.000 1.438 400 I CB 0.082 37.884 38.000 -0.331 0.000 1.111 400 I HN 0.699 nan 8.210 nan 0.000 0.431 401 F N 1.364 121.258 119.950 -0.093 0.000 3.043 401 F HA -0.185 4.342 4.527 -0.000 0.000 0.290 401 F C 0.438 176.258 175.800 0.034 0.000 0.844 401 F CA 0.603 58.601 58.000 -0.005 0.000 1.184 401 F CB -1.381 37.660 39.000 0.068 0.000 1.246 401 F HN 0.149 nan 8.300 nan 0.000 0.536 402 G N -1.091 107.722 108.800 0.021 0.000 2.866 402 G HA2 0.667 4.627 3.960 -0.000 0.000 0.289 402 G HA3 0.667 4.627 3.960 -0.000 0.000 0.289 402 G C -3.035 171.836 174.900 -0.049 0.000 1.396 402 G CA -0.941 44.167 45.100 0.013 0.000 0.848 402 G HN -0.211 nan 8.290 nan 0.000 0.515 403 P HA 0.340 nan 4.420 nan 0.000 0.226 403 P C -0.724 176.621 177.300 0.075 0.000 1.783 403 P CA -0.172 62.986 63.100 0.097 0.000 0.980 403 P CB 0.341 32.211 31.700 0.283 0.000 1.967 404 V N 2.613 122.462 119.914 -0.108 0.000 2.419 404 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 404 V C -0.006 176.009 176.094 -0.131 0.000 1.017 404 V CA -0.637 61.652 62.300 -0.018 0.000 0.844 404 V CB 1.928 33.806 31.823 0.093 0.000 1.011 404 V HN 0.293 nan 8.190 nan 0.000 0.429 405 M N 4.032 123.557 119.600 -0.125 0.000 2.264 405 M HA 0.609 5.089 4.480 -0.000 0.000 0.352 405 M C -0.771 175.550 176.300 0.035 0.000 1.173 405 M CA -0.268 54.940 55.300 -0.153 0.000 1.075 405 M CB 1.454 33.955 32.600 -0.165 0.000 1.621 405 M HN 0.628 nan 8.290 nan 0.000 0.457 406 Q N 5.062 124.854 119.800 -0.013 0.000 2.307 406 Q HA 0.596 4.936 4.340 -0.000 0.000 0.262 406 Q C -1.258 174.732 176.000 -0.017 0.000 0.961 406 Q CA 0.009 55.824 55.803 0.019 0.000 0.882 406 Q CB 1.802 30.507 28.738 -0.055 0.000 1.264 406 Q HN 0.700 nan 8.270 nan 0.000 0.446 407 I N 4.001 124.600 120.570 0.048 0.000 2.389 407 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 407 I C -0.938 175.243 176.117 0.107 0.000 0.999 407 I CA -0.917 60.418 61.300 0.057 0.000 1.129 407 I CB 0.925 38.983 38.000 0.097 0.000 1.288 407 I HN 0.327 nan 8.210 nan 0.000 0.444 408 L N 6.254 127.484 121.223 0.012 0.000 2.319 408 L HA 0.564 4.904 4.340 -0.000 0.000 0.267 408 L C -0.180 176.839 176.870 0.249 0.000 1.011 408 L CA -0.536 54.322 54.840 0.031 0.000 0.818 408 L CB 1.516 43.386 42.059 -0.314 0.000 1.316 408 L HN 0.467 nan 8.230 nan 0.000 0.432 409 K N 1.529 122.035 120.400 0.177 0.000 2.207 409 K HA 0.736 5.056 4.320 -0.000 0.000 0.255 409 K C -1.535 175.222 176.600 0.261 0.000 0.941 409 K CA -0.467 55.881 56.287 0.102 0.000 0.825 409 K CB 1.512 33.756 32.500 -0.426 0.000 1.119 409 K HN 0.535 nan 8.250 nan 0.000 0.430 410 F N 0.930 120.945 119.950 0.109 0.000 2.664 410 F HA 0.464 4.991 4.527 -0.000 0.000 0.317 410 F C 0.165 175.995 175.800 0.049 0.000 1.108 410 F CA -0.935 57.121 58.000 0.093 0.000 0.957 410 F CB 1.574 40.653 39.000 0.131 0.000 1.365 410 F HN 0.547 nan 8.300 nan 0.000 0.475 411 K N -0.011 120.440 120.400 0.085 0.000 2.267 411 K HA 0.228 4.548 4.320 -0.000 0.000 0.213 411 K C 0.248 176.906 176.600 0.095 0.000 1.060 411 K CA 0.997 57.262 56.287 -0.037 0.000 0.935 411 K CB 0.221 32.728 32.500 0.011 0.000 1.096 411 K HN 0.899 nan 8.250 nan 0.000 0.468 412 T N -1.890 112.814 114.554 0.250 0.000 2.945 412 T HA 0.266 4.616 4.350 -0.000 0.000 0.286 412 T C 1.178 176.043 174.700 0.274 0.000 1.025 412 T CA -0.834 61.391 62.100 0.208 0.000 1.039 412 T CB 1.449 70.377 68.868 0.101 0.000 1.068 412 T HN 0.214 nan 8.240 nan 0.000 0.497 413 I N 0.470 121.144 120.570 0.173 0.000 2.315 413 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 413 I C 2.151 178.317 176.117 0.082 0.000 1.117 413 I CA 1.442 62.813 61.300 0.118 0.000 1.404 413 I CB -0.034 38.004 38.000 0.064 0.000 1.071 413 I HN 0.768 nan 8.210 nan 0.000 0.419 414 E N 0.646 120.888 120.200 0.070 0.000 2.077 414 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 414 E C 1.960 178.572 176.600 0.020 0.000 0.989 414 E CA 1.407 57.853 56.400 0.077 0.000 0.800 414 E CB -0.263 29.469 29.700 0.053 0.000 0.746 414 E HN 0.513 nan 8.360 nan 0.000 0.452 415 E N 0.476 120.690 120.200 0.023 0.000 2.038 415 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 415 E C 2.103 178.624 176.600 -0.131 0.000 1.000 415 E CA 1.349 57.748 56.400 -0.002 0.000 0.803 415 E CB -0.088 29.662 29.700 0.083 0.000 0.750 415 E HN 0.186 nan 8.360 nan 0.000 0.448 416 V N 0.396 120.151 119.914 -0.266 0.000 2.515 416 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 416 V C 2.322 178.095 176.094 -0.536 0.000 1.058 416 V CA 1.216 63.114 62.300 -0.669 0.000 1.064 416 V CB 0.092 31.125 31.823 -1.316 0.000 0.675 416 V HN 0.210 nan 8.190 nan 0.000 0.461 417 V N 0.717 120.458 119.914 -0.290 0.000 2.295 417 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 417 V C 2.678 178.651 176.094 -0.202 0.000 1.049 417 V CA 2.293 64.462 62.300 -0.219 0.000 1.024 417 V CB -1.341 30.416 31.823 -0.110 0.000 0.648 417 V HN 0.631 nan 8.190 nan 0.000 0.447 418 G N -0.596 108.116 108.800 -0.148 0.000 2.422 418 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 418 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 418 G C 1.746 176.575 174.900 -0.118 0.000 1.146 418 G CA 0.532 45.570 45.100 -0.104 0.000 0.769 418 G HN 0.414 nan 8.290 nan 0.000 0.547 419 R N 0.376 120.764 120.500 -0.186 0.000 2.073 419 R HA 0.111 4.451 4.340 -0.000 0.000 0.229 419 R C 3.054 179.255 176.300 -0.164 0.000 1.120 419 R CA 0.989 57.000 56.100 -0.148 0.000 0.967 419 R CB -0.482 29.717 30.300 -0.168 0.000 0.862 419 R HN 0.331 nan 8.270 nan 0.000 0.436 420 A N 1.995 124.575 122.820 -0.401 0.000 1.908 420 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 420 A C 1.718 179.251 177.584 -0.086 0.000 1.181 420 A CA 1.587 53.474 52.037 -0.250 0.000 0.627 420 A CB -0.424 18.365 19.000 -0.353 0.000 0.818 420 A HN 0.249 nan 8.150 nan 0.000 0.445 421 N N 0.155 118.787 118.700 -0.115 0.000 2.494 421 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 421 N C 0.370 175.861 175.510 -0.031 0.000 1.076 421 N CA 0.425 53.431 53.050 -0.073 0.000 0.908 421 N CB -0.512 37.919 38.487 -0.092 0.000 0.967 421 N HN 0.449 nan 8.380 nan 0.000 0.449 422 N N 1.033 119.722 118.700 -0.019 0.000 2.819 422 N HA 0.029 4.769 4.740 -0.000 0.000 0.284 422 N C -1.278 174.249 175.510 0.029 0.000 1.196 422 N CA 0.075 53.127 53.050 0.004 0.000 1.114 422 N CB -0.243 38.249 38.487 0.009 0.000 1.437 422 N HN -0.068 nan 8.380 nan 0.000 0.518 423 S N 0.002 115.713 115.700 0.020 0.000 2.552 423 S HA 0.250 4.720 4.470 -0.000 0.000 0.272 423 S C 0.645 175.234 174.600 -0.018 0.000 1.150 423 S CA -0.431 57.786 58.200 0.029 0.000 0.849 423 S CB 0.195 63.457 63.200 0.103 0.000 1.113 423 S HN 0.377 nan 8.310 nan 0.000 0.458 424 T N 0.632 115.121 114.554 -0.108 0.000 3.129 424 T HA 0.288 4.638 4.350 -0.000 0.000 0.251 424 T C 0.467 175.039 174.700 -0.213 0.000 1.117 424 T CA 0.393 62.385 62.100 -0.181 0.000 1.034 424 T CB -0.538 68.175 68.868 -0.258 0.000 0.968 424 T HN 0.538 nan 8.240 nan 0.000 0.526 425 Y N 0.580 120.894 120.300 0.023 0.000 2.392 425 Y HA 0.579 5.129 4.550 0.000 0.000 0.323 425 Y C 1.358 177.265 175.900 0.012 0.000 1.291 425 Y CA -0.720 57.395 58.100 0.025 0.000 1.345 425 Y CB 1.527 40.007 38.460 0.034 0.000 1.320 425 Y HN 0.120 nan 8.280 nan 0.000 0.518 426 G N 0.788 109.707 108.800 0.200 0.000 5.473 426 G HA2 0.031 3.991 3.960 -0.000 0.000 0.206 426 G HA3 0.031 3.991 3.960 -0.000 0.000 0.206 426 G C -0.126 174.758 174.900 -0.027 0.000 0.904 426 G CA -0.303 44.825 45.100 0.048 0.000 0.697 426 G HN 0.526 nan 8.290 nan 0.000 0.279 427 L N 0.676 121.890 121.223 -0.014 0.000 2.044 427 L HA 0.738 5.078 4.340 -0.000 0.000 0.205 427 L C 1.142 177.851 176.870 -0.269 0.000 1.075 427 L CA 2.375 57.147 54.840 -0.114 0.000 0.747 427 L CB -0.105 41.947 42.059 -0.012 0.000 0.903 427 L HN 0.539 nan 8.230 nan 0.000 0.435 428 A N -2.216 120.497 122.820 -0.178 0.000 2.588 428 A HA 0.894 5.214 4.320 -0.000 0.000 0.290 428 A C -1.450 176.043 177.584 -0.152 0.000 1.136 428 A CA -0.103 51.759 52.037 -0.293 0.000 0.681 428 A CB 0.878 19.720 19.000 -0.264 0.000 1.282 428 A HN 0.523 nan 8.150 nan 0.000 0.421 429 A N -1.168 121.531 122.820 -0.202 0.000 2.601 429 A HA 0.996 5.316 4.320 -0.000 0.000 0.291 429 A C -0.671 176.950 177.584 0.061 0.000 1.075 429 A CA 0.089 52.126 52.037 -0.000 0.000 0.671 429 A CB 0.690 19.645 19.000 -0.075 0.000 1.277 429 A HN 2.658 nan 8.150 nan 0.000 0.417 430 A N -0.263 122.720 122.820 0.272 0.000 2.539 430 A HA 0.814 5.133 4.320 -0.000 0.000 0.296 430 A C -1.463 176.307 177.584 0.310 0.000 1.073 430 A CA -0.535 51.714 52.037 0.353 0.000 0.700 430 A CB 1.660 21.099 19.000 0.732 0.000 1.296 430 A HN 1.727 nan 8.150 nan 0.000 0.405 431 V N 1.123 121.165 119.914 0.213 0.000 2.577 431 V HA 0.523 4.643 4.120 -0.000 0.000 0.303 431 V C -1.570 174.597 176.094 0.121 0.000 1.042 431 V CA -0.234 62.184 62.300 0.196 0.000 0.872 431 V CB 1.350 33.224 31.823 0.085 0.000 0.998 431 V HN 0.702 nan 8.190 nan 0.000 0.423 432 F N 2.871 122.931 119.950 0.182 0.000 2.402 432 F HA 0.767 5.294 4.527 -0.000 0.000 0.355 432 F C 0.375 176.282 175.800 0.178 0.000 1.123 432 F CA -0.210 57.911 58.000 0.203 0.000 1.021 432 F CB 2.020 41.150 39.000 0.217 0.000 1.160 432 F HN 0.507 nan 8.300 nan 0.000 0.451 433 T N 2.104 116.805 114.554 0.244 0.000 2.893 433 T HA 0.261 4.611 4.350 -0.000 0.000 0.337 433 T C 0.103 174.885 174.700 0.137 0.000 1.587 433 T CA -0.695 61.517 62.100 0.188 0.000 1.066 433 T CB 1.407 70.365 68.868 0.150 0.000 1.414 433 T HN 0.646 nan 8.240 nan 0.000 0.488 434 K N 0.896 121.367 120.400 0.119 0.000 2.361 434 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 434 K C -0.116 176.522 176.600 0.062 0.000 1.032 434 K CA -0.009 56.328 56.287 0.084 0.000 1.048 434 K CB 0.229 32.777 32.500 0.079 0.000 0.842 434 K HN 0.505 nan 8.250 nan 0.000 0.526 435 D N 0.873 121.314 120.400 0.067 0.000 2.317 435 D HA 0.008 4.648 4.640 -0.000 0.000 0.252 435 D C 0.890 177.219 176.300 0.048 0.000 1.174 435 D CA -0.281 53.750 54.000 0.052 0.000 0.866 435 D CB 1.040 41.871 40.800 0.053 0.000 1.127 435 D HN -0.161 nan 8.370 nan 0.000 0.467 436 L N 4.285 125.530 121.223 0.037 0.000 1.971 436 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 436 L C 1.278 178.173 176.870 0.041 0.000 1.072 436 L CA 2.018 56.878 54.840 0.033 0.000 0.758 436 L CB -0.535 41.539 42.059 0.025 0.000 0.889 436 L HN 0.512 nan 8.230 nan 0.000 0.433 437 D N -0.312 120.111 120.400 0.039 0.000 2.123 437 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 437 D C 2.206 178.551 176.300 0.075 0.000 0.992 437 D CA 1.484 55.512 54.000 0.046 0.000 0.833 437 D CB -0.115 40.698 40.800 0.021 0.000 0.954 437 D HN 0.425 nan 8.370 nan 0.000 0.455 438 K N 0.533 120.972 120.400 0.065 0.000 2.057 438 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 438 K C 2.146 178.821 176.600 0.125 0.000 1.049 438 K CA 1.198 57.544 56.287 0.097 0.000 0.931 438 K CB -0.117 32.433 32.500 0.084 0.000 0.714 438 K HN 0.037 nan 8.250 nan 0.000 0.440 439 A N 2.005 124.876 122.820 0.085 0.000 1.902 439 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 439 A C 1.865 179.479 177.584 0.051 0.000 1.181 439 A CA 1.691 53.764 52.037 0.060 0.000 0.623 439 A CB -0.465 18.559 19.000 0.039 0.000 0.818 439 A HN 0.229 nan 8.150 nan 0.000 0.443 440 N N -1.599 117.137 118.700 0.061 0.000 2.142 440 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 440 N C 1.610 177.158 175.510 0.063 0.000 1.023 440 N CA 1.587 54.665 53.050 0.047 0.000 0.852 440 N CB -0.593 37.922 38.487 0.047 0.000 0.998 440 N HN 0.656 nan 8.380 nan 0.000 0.424 441 Y N 1.736 122.026 120.300 -0.016 0.000 2.097 441 Y HA -0.117 4.433 4.550 -0.000 0.000 0.282 441 Y C 2.234 178.111 175.900 -0.038 0.000 1.152 441 Y CA 1.467 59.554 58.100 -0.023 0.000 1.136 441 Y CB -0.487 37.965 38.460 -0.014 0.000 0.975 441 Y HN -0.042 nan 8.280 nan 0.000 0.498 442 L N -0.257 120.991 121.223 0.042 0.000 2.017 442 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 442 L C 2.824 179.607 176.870 -0.145 0.000 1.073 442 L CA 1.698 56.492 54.840 -0.077 0.000 0.745 442 L CB -0.870 41.204 42.059 0.025 0.000 0.894 442 L HN 0.400 nan 8.230 nan 0.000 0.432 443 S N -0.816 114.825 115.700 -0.098 0.000 2.382 443 S HA -0.309 4.161 4.470 -0.000 0.000 0.228 443 S C 1.939 176.444 174.600 -0.158 0.000 1.027 443 S CA 1.464 59.589 58.200 -0.125 0.000 0.991 443 S CB -0.448 62.698 63.200 -0.090 0.000 0.823 443 S HN 0.519 nan 8.310 nan 0.000 0.469 444 Q N 1.202 120.909 119.800 -0.155 0.000 2.079 444 Q HA 0.013 4.353 4.340 -0.000 0.000 0.200 444 Q C 2.209 178.082 176.000 -0.212 0.000 0.974 444 Q CA 1.387 57.093 55.803 -0.162 0.000 0.840 444 Q CB -0.519 28.136 28.738 -0.139 0.000 0.898 444 Q HN 0.731 nan 8.270 nan 0.000 0.430 445 A N 0.395 123.031 122.820 -0.306 0.000 2.021 445 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 445 A C 0.859 178.290 177.584 -0.254 0.000 1.163 445 A CA -0.006 51.834 52.037 -0.329 0.000 0.676 445 A CB -0.186 18.490 19.000 -0.541 0.000 0.818 445 A HN 0.351 nan 8.150 nan 0.000 0.453 446 L N 0.947 122.019 121.223 -0.252 0.000 2.410 446 L HA 0.080 4.420 4.340 -0.000 0.000 0.273 446 L C 0.080 176.761 176.870 -0.315 0.000 1.152 446 L CA -0.113 54.577 54.840 -0.249 0.000 0.855 446 L CB 0.560 42.479 42.059 -0.233 0.000 1.129 446 L HN 0.368 nan 8.230 nan 0.000 0.463 447 Q N 3.731 123.350 119.800 -0.301 0.000 2.835 447 Q HA 0.540 4.880 4.340 -0.000 0.000 0.235 447 Q C -0.435 175.148 176.000 -0.695 0.000 1.313 447 Q CA -0.261 55.292 55.803 -0.416 0.000 1.053 447 Q CB 0.817 29.479 28.738 -0.126 0.000 1.443 447 Q HN 0.689 nan 8.270 nan 0.000 0.576 448 A N -0.080 122.085 122.820 -1.093 0.000 2.572 448 A HA 0.681 5.001 4.320 -0.000 0.000 0.295 448 A C 0.828 177.830 177.584 -0.970 0.000 1.072 448 A CA -0.413 51.109 52.037 -0.859 0.000 0.691 448 A CB 1.138 19.858 19.000 -0.467 0.000 1.291 448 A HN 0.543 nan 8.150 nan 0.000 0.404 449 G N -0.080 108.420 108.800 -0.499 0.000 2.422 449 G HA2 0.279 4.239 3.960 -0.000 0.000 0.218 449 G HA3 0.279 4.239 3.960 -0.000 0.000 0.218 449 G C 0.507 175.143 174.900 -0.440 0.000 1.146 449 G CA 1.709 46.645 45.100 -0.273 0.000 0.769 449 G HN 0.855 nan 8.290 nan 0.000 0.547 450 T N -0.237 113.951 114.554 -0.609 0.000 2.879 450 T HA 0.496 4.846 4.350 -0.000 0.000 0.290 450 T C -1.086 173.126 174.700 -0.813 0.000 0.993 450 T CA -0.407 61.244 62.100 -0.747 0.000 0.975 450 T CB 2.676 70.941 68.868 -1.006 0.000 0.981 450 T HN -0.100 nan 8.240 nan 0.000 0.439 451 V N 4.048 123.571 119.914 -0.651 0.000 2.350 451 V HA 0.397 4.517 4.120 -0.000 0.000 0.285 451 V C -0.558 175.278 176.094 -0.431 0.000 1.014 451 V CA -1.035 60.979 62.300 -0.477 0.000 0.831 451 V CB 0.953 32.601 31.823 -0.291 0.000 1.000 451 V HN 0.762 nan 8.190 nan 0.000 0.433 452 W N 3.733 124.913 121.300 -0.200 0.000 2.315 452 W HA 0.571 5.231 4.660 0.000 0.000 0.316 452 W C -0.432 175.990 176.519 -0.162 0.000 1.211 452 W CA -0.652 56.579 57.345 -0.190 0.000 1.201 452 W CB 1.653 30.960 29.460 -0.254 0.000 1.184 452 W HN 0.263 nan 8.180 nan 0.000 0.544 453 V N 4.825 124.774 119.914 0.058 0.000 2.378 453 V HA 0.128 4.248 4.120 -0.000 0.000 0.288 453 V C 0.210 176.191 176.094 -0.188 0.000 1.016 453 V CA -0.986 61.267 62.300 -0.078 0.000 0.840 453 V CB 1.047 32.848 31.823 -0.036 0.000 0.994 453 V HN 0.668 nan 8.190 nan 0.000 0.431 454 N N 1.958 120.306 118.700 -0.587 0.000 2.714 454 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 454 N C -0.225 175.187 175.510 -0.163 0.000 1.117 454 N CA 1.315 53.967 53.050 -0.664 0.000 0.719 454 N CB -1.141 37.310 38.487 -0.060 0.000 1.081 454 N HN 1.056 nan 8.380 nan 0.000 0.557 455 C N -4.115 115.030 119.300 -0.260 0.000 3.284 455 C HA 0.814 5.274 4.460 -0.000 0.000 0.348 455 C C -0.993 174.087 174.990 0.150 0.000 1.448 455 C CA -1.354 57.749 59.018 0.142 0.000 1.223 455 C CB 1.830 29.648 27.740 0.128 0.000 1.588 455 C HN 0.262 nan 8.230 nan 0.000 0.451 456 Y N -0.161 120.030 120.300 -0.180 0.000 2.581 456 Y HA 0.471 5.021 4.550 -0.000 0.000 0.337 456 Y C -0.365 174.944 175.900 -0.985 0.000 1.108 456 Y CA 0.349 58.114 58.100 -0.559 0.000 1.033 456 Y CB 1.383 39.785 38.460 -0.097 0.000 1.318 456 Y HN 1.017 nan 8.280 nan 0.000 0.459 457 D N 1.959 121.073 120.400 -2.143 0.000 2.708 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 457 D C -1.048 174.791 176.300 -0.769 0.000 1.146 457 D CA 0.906 54.193 54.000 -1.190 0.000 0.662 457 D CB -1.000 39.651 40.800 -0.247 0.000 1.059 457 D HN 0.165 nan 8.370 nan 0.000 0.428 458 V N 1.294 120.519 119.914 -1.149 0.000 2.353 458 V HA 0.342 4.462 4.120 -0.000 0.000 0.264 458 V C 0.476 176.453 176.094 -0.195 0.000 1.049 458 V CA -0.286 61.798 62.300 -0.361 0.000 0.896 458 V CB 0.154 31.864 31.823 -0.188 0.000 1.025 458 V HN -0.006 nan 8.190 nan 0.000 0.475 459 F N 2.558 122.562 119.950 0.091 0.000 2.469 459 F HA 0.811 5.338 4.527 0.000 0.000 0.332 459 F C 0.768 176.586 175.800 0.031 0.000 1.103 459 F CA -0.534 57.522 58.000 0.092 0.000 0.979 459 F CB 2.183 41.220 39.000 0.062 0.000 1.137 459 F HN 0.518 nan 8.300 nan 0.000 0.463 460 G N 0.336 109.221 108.800 0.142 0.000 2.662 460 G HA2 0.514 4.474 3.960 -0.000 0.000 0.302 460 G HA3 0.514 4.474 3.960 -0.000 0.000 0.302 460 G C 0.181 174.994 174.900 -0.146 0.000 1.389 460 G CA -0.429 44.675 45.100 0.007 0.000 0.998 460 G HN 0.881 nan 8.290 nan 0.000 0.502 461 A N 1.389 124.050 122.820 -0.264 0.000 2.076 461 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 461 A C 2.109 179.063 177.584 -1.050 0.000 1.160 461 A CA 2.004 53.691 52.037 -0.582 0.000 0.653 461 A CB -0.092 18.582 19.000 -0.543 0.000 0.801 461 A HN 0.640 nan 8.150 nan 0.000 0.455 462 Q N -0.666 118.705 119.800 -0.714 0.000 2.408 462 Q HA 0.174 4.514 4.340 -0.000 0.000 0.205 462 Q C -0.070 175.861 176.000 -0.114 0.000 0.919 462 Q CA 0.429 55.923 55.803 -0.514 0.000 0.932 462 Q CB -0.241 28.406 28.738 -0.151 0.000 1.058 462 Q HN 0.379 nan 8.270 nan 0.000 0.517 463 S N 3.924 119.564 115.700 -0.100 0.000 2.437 463 S HA 0.484 4.954 4.470 -0.000 0.000 0.305 463 S C -2.456 172.145 174.600 0.002 0.000 1.109 463 S CA -1.161 57.040 58.200 0.002 0.000 1.099 463 S CB 1.690 64.894 63.200 0.006 0.000 1.004 463 S HN 0.143 nan 8.310 nan 0.000 0.475 464 P HA 0.308 nan 4.420 nan 0.000 0.272 464 P C -0.976 176.338 177.300 0.023 0.000 1.230 464 P CA -0.263 62.831 63.100 -0.011 0.000 0.788 464 P CB 0.386 31.958 31.700 -0.212 0.000 0.949 465 F N 0.493 120.374 119.950 -0.115 0.000 2.581 465 F HA 0.653 5.180 4.527 0.000 0.000 0.311 465 F C -0.331 175.467 175.800 -0.003 0.000 1.113 465 F CA 0.279 58.247 58.000 -0.052 0.000 0.935 465 F CB 2.096 41.129 39.000 0.055 0.000 1.232 465 F HN 0.682 nan 8.300 nan 0.000 0.445 466 G N 2.206 110.671 108.800 -0.558 0.000 2.316 466 G HA2 0.454 4.414 3.960 -0.000 0.000 0.296 466 G HA3 0.454 4.414 3.960 -0.000 0.000 0.296 466 G C -1.504 173.224 174.900 -0.286 0.000 1.399 466 G CA -0.230 44.697 45.100 -0.287 0.000 0.833 466 G HN 0.997 nan 8.290 nan 0.000 0.565 467 G N -1.210 107.527 108.800 -0.104 0.000 2.389 467 G HA2 0.580 4.540 3.960 -0.000 0.000 0.317 467 G HA3 0.580 4.540 3.960 -0.000 0.000 0.317 467 G C -0.960 173.997 174.900 0.093 0.000 1.137 467 G CA -0.362 44.731 45.100 -0.012 0.000 0.870 467 G HN 0.443 nan 8.290 nan 0.000 0.496 468 Y N 0.820 121.054 120.300 -0.110 0.000 2.334 468 Y HA 0.348 4.897 4.550 -0.000 0.000 0.325 468 Y C 1.557 177.431 175.900 -0.043 0.000 1.308 468 Y CA -0.501 57.550 58.100 -0.083 0.000 1.389 468 Y CB 1.095 39.500 38.460 -0.092 0.000 1.328 468 Y HN 0.846 nan 8.280 nan 0.000 0.532 469 K N -0.424 120.026 120.400 0.083 0.000 1.779 469 K HA -0.326 3.994 4.320 -0.000 0.000 0.128 469 K C 0.638 177.252 176.600 0.025 0.000 1.288 469 K CA 1.961 58.271 56.287 0.038 0.000 0.398 469 K CB -1.130 31.400 32.500 0.050 0.000 0.609 469 K HN 0.648 nan 8.250 nan 0.000 0.874 470 M N 0.876 120.486 119.600 0.017 0.000 2.453 470 M HA 0.065 4.545 4.480 -0.000 0.000 0.239 470 M C 0.921 177.295 176.300 0.124 0.000 1.151 470 M CA 0.392 55.701 55.300 0.015 0.000 0.989 470 M CB 0.473 33.022 32.600 -0.086 0.000 1.548 470 M HN 0.293 nan 8.290 nan 0.000 0.479 471 S N 0.675 116.480 115.700 0.175 0.000 2.603 471 S HA 0.316 4.786 4.470 -0.000 0.000 0.220 471 S C 0.904 175.582 174.600 0.130 0.000 0.967 471 S CA 0.502 58.833 58.200 0.217 0.000 0.920 471 S CB 0.162 63.471 63.200 0.183 0.000 0.773 471 S HN 0.766 nan 8.310 nan 0.000 0.529 472 G N 0.628 109.484 108.800 0.093 0.000 2.346 472 G HA2 0.290 4.250 3.960 -0.000 0.000 0.294 472 G HA3 0.290 4.250 3.960 -0.000 0.000 0.294 472 G C -1.182 173.732 174.900 0.025 0.000 1.294 472 G CA -0.376 44.768 45.100 0.072 0.000 0.962 472 G HN 0.752 nan 8.290 nan 0.000 0.508 473 S N -1.245 114.465 115.700 0.017 0.000 2.537 473 S HA 0.979 5.449 4.470 -0.000 0.000 0.270 473 S C 0.286 174.877 174.600 -0.015 0.000 1.142 473 S CA 0.600 58.786 58.200 -0.022 0.000 0.870 473 S CB 1.517 64.699 63.200 -0.030 0.000 1.112 473 S HN 3.081 nan 8.310 nan 0.000 0.466 474 G N 1.856 110.632 108.800 -0.039 0.000 2.746 474 G HA2 0.134 4.094 3.960 -0.000 0.000 0.685 474 G HA3 0.134 4.094 3.960 -0.000 0.000 0.685 474 G C -1.411 173.483 174.900 -0.011 0.000 1.350 474 G CA -1.017 44.068 45.100 -0.024 0.000 0.837 474 G HN 0.830 nan 8.290 nan 0.000 0.564 475 R N 0.331 120.838 120.500 0.013 0.000 2.750 475 R HA 0.640 4.980 4.340 -0.000 0.000 0.281 475 R C -0.104 176.248 176.300 0.086 0.000 0.972 475 R CA -0.729 55.386 56.100 0.024 0.000 0.912 475 R CB 1.890 32.170 30.300 -0.033 0.000 1.187 475 R HN 0.758 nan 8.270 nan 0.000 0.464 476 E N 1.574 121.836 120.200 0.102 0.000 2.263 476 E HA 0.605 4.955 4.350 -0.000 0.000 0.264 476 E C -0.348 176.242 176.600 -0.017 0.000 0.923 476 E CA -0.861 55.586 56.400 0.078 0.000 0.802 476 E CB 1.689 31.462 29.700 0.121 0.000 1.228 476 E HN 0.326 nan 8.360 nan 0.000 0.417 477 L N -0.050 121.160 121.223 -0.022 0.000 0.585 477 L HA -0.261 4.079 4.340 -0.000 0.000 0.356 477 L C 0.631 177.587 176.870 0.142 0.000 0.963 477 L CA 0.714 55.536 54.840 -0.030 0.000 1.223 477 L CB -1.380 40.472 42.059 -0.345 0.000 0.011 477 L HN 0.994 nan 8.230 nan 0.000 0.091 478 G N 0.165 108.991 108.800 0.043 0.000 2.749 478 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.242 478 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.242 478 G C 0.451 175.558 174.900 0.345 0.000 1.364 478 G CA 0.942 46.192 45.100 0.249 0.000 0.888 478 G HN 1.164 nan 8.290 nan 0.000 0.566 479 E N -1.003 119.336 120.200 0.232 0.000 2.110 479 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 479 E C 2.211 178.612 176.600 -0.332 0.000 0.988 479 E CA 1.842 58.044 56.400 -0.330 0.000 0.804 479 E CB -0.175 29.356 29.700 -0.281 0.000 0.745 479 E HN 0.634 nan 8.360 nan 0.000 0.458 480 Y N -0.013 120.257 120.300 -0.050 0.000 2.241 480 Y HA -0.129 4.421 4.550 -0.000 0.000 0.286 480 Y C 2.446 178.316 175.900 -0.049 0.000 1.166 480 Y CA 1.119 59.194 58.100 -0.041 0.000 1.203 480 Y CB -0.739 37.720 38.460 -0.002 0.000 0.977 480 Y HN 0.171 nan 8.280 nan 0.000 0.529 481 G N -0.253 108.646 108.800 0.165 0.000 2.535 481 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 481 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 481 G C 1.436 176.355 174.900 0.033 0.000 1.122 481 G CA 0.707 45.891 45.100 0.140 0.000 0.769 481 G HN 0.411 nan 8.290 nan 0.000 0.549 482 L N -0.778 120.339 121.223 -0.178 0.000 2.341 482 L HA 0.069 4.409 4.340 -0.000 0.000 0.214 482 L C 2.905 179.650 176.870 -0.209 0.000 1.115 482 L CA 0.295 54.922 54.840 -0.354 0.000 0.820 482 L CB -0.264 41.179 42.059 -1.026 0.000 0.944 482 L HN 0.213 nan 8.230 nan 0.000 0.452 483 Q N 0.538 120.257 119.800 -0.135 0.000 2.030 483 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 483 Q C 2.369 178.335 176.000 -0.056 0.000 0.986 483 Q CA 1.845 57.628 55.803 -0.033 0.000 0.843 483 Q CB -0.273 28.471 28.738 0.011 0.000 0.904 483 Q HN 0.550 nan 8.270 nan 0.000 0.420 484 A N -0.434 122.320 122.820 -0.109 0.000 2.216 484 A HA -0.119 4.200 4.320 -0.000 0.000 0.214 484 A C 0.816 178.128 177.584 -0.453 0.000 1.160 484 A CA 0.812 52.688 52.037 -0.269 0.000 0.725 484 A CB -0.336 18.460 19.000 -0.340 0.000 0.784 484 A HN 0.419 nan 8.150 nan 0.000 0.472 485 Y N -0.435 119.827 120.300 -0.063 0.000 2.524 485 Y HA 0.204 4.754 4.550 0.000 0.000 0.266 485 Y C 0.337 176.228 175.900 -0.015 0.000 1.180 485 Y CA 0.104 58.175 58.100 -0.048 0.000 1.244 485 Y CB 0.456 38.873 38.460 -0.071 0.000 1.125 485 Y HN 0.064 nan 8.280 nan 0.000 0.524 486 T N 0.266 114.852 114.554 0.055 0.000 2.824 486 T HA 0.333 4.683 4.350 -0.000 0.000 0.282 486 T C -0.970 173.726 174.700 -0.007 0.000 0.993 486 T CA -0.692 61.443 62.100 0.058 0.000 0.967 486 T CB 1.924 70.835 68.868 0.071 0.000 0.960 486 T HN -0.053 nan 8.240 nan 0.000 0.441 487 E N 2.137 122.350 120.200 0.021 0.000 2.151 487 E HA 0.521 4.871 4.350 -0.000 0.000 0.275 487 E C -1.053 175.548 176.600 0.001 0.000 0.936 487 E CA -0.575 55.826 56.400 0.003 0.000 0.777 487 E CB 0.999 30.719 29.700 0.034 0.000 1.108 487 E HN 0.319 nan 8.360 nan 0.000 0.401 488 V N 5.339 125.235 119.914 -0.029 0.000 2.432 488 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 488 V C 0.054 176.152 176.094 0.008 0.000 1.043 488 V CA -0.521 61.774 62.300 -0.009 0.000 0.925 488 V CB 1.139 32.936 31.823 -0.044 0.000 0.985 488 V HN 0.579 nan 8.190 nan 0.000 0.466 489 K N 3.236 123.652 120.400 0.027 0.000 2.323 489 K HA 0.522 4.842 4.320 -0.000 0.000 0.259 489 K C -0.553 176.004 176.600 -0.072 0.000 0.947 489 K CA -0.381 55.894 56.287 -0.020 0.000 0.819 489 K CB 1.519 34.013 32.500 -0.009 0.000 1.109 489 K HN 0.687 nan 8.250 nan 0.000 0.429 490 T N 2.972 117.454 114.554 -0.120 0.000 2.799 490 T HA 0.293 4.643 4.350 -0.000 0.000 0.286 490 T C -0.662 173.849 174.700 -0.315 0.000 0.973 490 T CA -0.548 61.426 62.100 -0.209 0.000 1.035 490 T CB 1.163 69.931 68.868 -0.167 0.000 0.932 490 T HN 0.302 nan 8.240 nan 0.000 0.469 491 V N 3.772 123.338 119.914 -0.580 0.000 2.448 491 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 491 V C 0.085 175.794 176.094 -0.643 0.000 1.025 491 V CA -0.703 61.193 62.300 -0.673 0.000 0.859 491 V CB 1.876 33.065 31.823 -1.057 0.000 0.988 491 V HN 0.960 nan 8.190 nan 0.000 0.431 492 T N 4.301 118.645 114.554 -0.349 0.000 2.906 492 T HA 0.513 4.863 4.350 -0.000 0.000 0.302 492 T C -0.524 174.147 174.700 -0.048 0.000 1.002 492 T CA -0.334 61.633 62.100 -0.222 0.000 0.988 492 T CB 1.419 70.145 68.868 -0.237 0.000 0.972 492 T HN 0.340 nan 8.240 nan 0.000 0.447 493 V N 3.879 123.844 119.914 0.085 0.000 2.417 493 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 493 V C 0.467 176.770 176.094 0.348 0.000 1.024 493 V CA -1.125 61.297 62.300 0.203 0.000 0.861 493 V CB 1.705 33.675 31.823 0.245 0.000 0.985 493 V HN 0.717 nan 8.190 nan 0.000 0.436 494 K N 3.761 124.347 120.400 0.309 0.000 2.412 494 K HA 0.398 4.718 4.320 -0.000 0.000 0.281 494 K C -0.425 176.204 176.600 0.049 0.000 1.027 494 K CA -0.157 56.223 56.287 0.155 0.000 0.989 494 K CB 0.797 33.362 32.500 0.109 0.000 0.935 494 K HN 0.680 nan 8.250 nan 0.000 0.475 495 V N 2.064 121.942 119.914 -0.061 0.000 2.960 495 V HA 0.420 4.540 4.120 -0.000 0.000 0.315 495 V C -2.132 173.909 176.094 -0.088 0.000 1.087 495 V CA -1.890 60.393 62.300 -0.029 0.000 0.982 495 V CB 1.335 33.165 31.823 0.012 0.000 1.039 495 V HN 0.667 nan 8.190 nan 0.000 0.437 496 P HA -0.049 nan 4.420 nan 0.000 0.215 496 P C 0.085 177.340 177.300 -0.075 0.000 1.153 496 P CA 1.257 64.321 63.100 -0.060 0.000 0.853 496 P CB 0.153 31.829 31.700 -0.039 0.000 0.788 497 Q N -0.997 118.761 119.800 -0.069 0.000 2.418 497 Q HA 0.148 4.488 4.340 -0.000 0.000 0.240 497 Q C -1.098 174.869 176.000 -0.054 0.000 0.859 497 Q CA -0.734 55.029 55.803 -0.066 0.000 0.916 497 Q CB 1.088 29.797 28.738 -0.049 0.000 1.448 497 Q HN -0.238 nan 8.270 nan 0.000 0.439 498 K N 3.845 124.212 120.400 -0.055 0.000 2.379 498 K HA 0.248 4.568 4.320 -0.000 0.000 0.284 498 K C -1.173 175.418 176.600 -0.014 0.000 1.044 498 K CA 0.289 56.563 56.287 -0.022 0.000 0.974 498 K CB 0.481 32.980 32.500 -0.001 0.000 0.962 498 K HN 0.686 nan 8.250 nan 0.000 0.474 499 N N 1.734 120.426 118.700 -0.013 0.000 2.238 499 N HA 0.093 4.833 4.740 -0.000 0.000 0.302 499 N C -0.427 175.080 175.510 -0.005 0.000 1.072 499 N CA -0.406 52.638 53.050 -0.012 0.000 0.792 499 N CB 1.839 40.313 38.487 -0.022 0.000 1.425 499 N HN 0.693 nan 8.380 nan 0.000 0.478 500 S N 0.000 115.700 115.700 0.001 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.202 58.200 0.003 0.000 1.107 500 S CB 0.000 63.203 63.200 0.005 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517