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 1zum_1_L 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 DVDKVAFTXX XXXXXXXXXX DATA SEQUENCE XXXXXXXRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSXXG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFX XXXXXXXXXX LGEYGLQAYT KVKTVTVKVP 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 0.000 177.599 177.584 0.025 0.000 1.274 7 A CA 0.000 52.067 52.037 0.050 0.000 0.836 7 A CB 0.000 19.040 19.000 0.066 0.000 0.831 8 V N 2.426 122.311 119.914 -0.048 0.000 2.495 8 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 8 V C -2.467 173.515 176.094 -0.185 0.000 1.031 8 V CA -1.539 60.611 62.300 -0.249 0.000 0.871 8 V CB 1.128 32.810 31.823 -0.235 0.000 0.988 8 V HN 0.342 nan 8.190 nan 0.000 0.432 9 P HA 0.335 nan 4.420 nan 0.000 0.269 9 P C -0.397 176.908 177.300 0.009 0.000 1.215 9 P CA -0.168 62.882 63.100 -0.082 0.000 0.780 9 P CB 0.476 32.147 31.700 -0.050 0.000 0.898 10 A N 3.615 126.435 122.820 -0.000 0.000 2.454 10 A HA 0.367 4.687 4.320 -0.000 0.000 0.260 10 A C -1.686 175.835 177.584 -0.105 0.000 1.106 10 A CA -0.814 51.200 52.037 -0.038 0.000 0.780 10 A CB -0.945 18.029 19.000 -0.043 0.000 1.044 10 A HN 0.429 nan 8.150 nan 0.000 0.498 11 P HA 0.141 nan 4.420 nan 0.000 0.276 11 P C -0.835 176.250 177.300 -0.357 0.000 1.261 11 P CA -0.665 62.130 63.100 -0.507 0.000 0.800 11 P CB 0.713 31.675 31.700 -1.231 0.000 1.066 12 N N 0.955 119.473 118.700 -0.304 0.000 2.527 12 N HA 0.049 4.789 4.740 -0.000 0.000 0.236 12 N C 0.824 176.021 175.510 -0.521 0.000 0.999 12 N CA -0.067 52.816 53.050 -0.278 0.000 0.935 12 N CB 0.488 38.910 38.487 -0.109 0.000 1.132 12 N HN 0.235 nan 8.380 nan 0.000 0.511 13 Q N 1.522 120.862 119.800 -0.766 0.000 2.508 13 Q HA -0.064 4.276 4.340 -0.000 0.000 0.214 13 Q C -0.192 175.371 176.000 -0.727 0.000 0.979 13 Q CA 0.960 55.958 55.803 -1.343 0.000 0.911 13 Q CB 0.251 28.373 28.738 -1.027 0.000 0.969 13 Q HN 0.620 nan 8.270 nan 0.000 0.504 14 Q N 0.430 119.995 119.800 -0.392 0.000 3.230 14 Q HA 0.253 4.593 4.340 -0.000 0.000 0.303 14 Q C -2.508 173.402 176.000 -0.151 0.000 0.884 14 Q CA -1.627 54.048 55.803 -0.213 0.000 0.859 14 Q CB 1.488 30.124 28.738 -0.169 0.000 1.432 14 Q HN 0.074 nan 8.270 nan 0.000 0.403 15 P HA -0.073 nan 4.420 nan 0.000 0.268 15 P C -0.450 176.798 177.300 -0.086 0.000 1.205 15 P CA 0.034 63.087 63.100 -0.079 0.000 0.771 15 P CB 0.683 32.266 31.700 -0.196 0.000 0.858 16 E N 1.792 121.957 120.200 -0.059 0.000 2.331 16 E HA 0.236 4.586 4.350 -0.000 0.000 0.272 16 E C -0.961 175.401 176.600 -0.397 0.000 1.036 16 E CA -0.673 55.549 56.400 -0.298 0.000 0.864 16 E CB 0.600 30.004 29.700 -0.494 0.000 1.035 16 E HN 0.091 nan 8.360 nan 0.000 0.408 17 V N 6.093 125.764 119.914 -0.404 0.000 2.383 17 V HA 0.125 4.245 4.120 -0.000 0.000 0.275 17 V C 0.030 175.889 176.094 -0.391 0.000 1.036 17 V CA -0.046 62.096 62.300 -0.264 0.000 0.889 17 V CB 0.740 32.468 31.823 -0.158 0.000 0.985 17 V HN 0.729 nan 8.190 nan 0.000 0.459 18 F N 1.730 121.687 119.950 0.011 0.000 2.694 18 F HA 0.248 4.775 4.527 -0.000 0.000 0.292 18 F C 0.973 176.658 175.800 -0.192 0.000 1.121 18 F CA -0.046 57.925 58.000 -0.048 0.000 1.352 18 F CB 0.365 39.381 39.000 0.028 0.000 1.107 18 F HN 0.380 nan 8.300 nan 0.000 0.597 19 C N 1.778 121.060 119.300 -0.030 0.000 2.396 19 C HA 0.479 4.939 4.460 -0.000 0.000 0.321 19 C C 0.166 174.994 174.990 -0.270 0.000 1.233 19 C CA -0.804 57.958 59.018 -0.426 0.000 1.440 19 C CB 0.464 27.930 27.740 -0.457 0.000 2.110 19 C HN 0.544 nan 8.230 nan 0.000 0.473 20 N N 0.905 119.419 118.700 -0.310 0.000 2.361 20 N HA 0.076 4.816 4.740 -0.000 0.000 0.253 20 N C -0.553 174.928 175.510 -0.048 0.000 1.413 20 N CA -0.311 52.658 53.050 -0.136 0.000 0.821 20 N CB -0.086 38.312 38.487 -0.148 0.000 1.380 20 N HN 0.782 nan 8.380 nan 0.000 0.493 21 Q N -0.315 119.534 119.800 0.082 0.000 2.962 21 Q HA 0.530 4.870 4.340 -0.000 0.000 0.282 21 Q C -0.468 175.838 176.000 0.510 0.000 1.058 21 Q CA -1.147 54.826 55.803 0.284 0.000 0.854 21 Q CB 1.571 30.512 28.738 0.339 0.000 1.441 21 Q HN 0.039 nan 8.270 nan 0.000 0.497 22 I N 1.476 122.299 120.570 0.422 0.000 2.441 22 I HA 0.135 4.305 4.170 -0.000 0.000 0.287 22 I C -0.389 175.939 176.117 0.351 0.000 1.049 22 I CA 0.190 61.691 61.300 0.334 0.000 1.381 22 I CB -0.306 37.814 38.000 0.200 0.000 1.409 22 I HN 0.474 nan 8.210 nan 0.000 0.523 23 F N 8.108 128.049 119.950 -0.015 0.000 2.313 23 F HA 0.558 5.085 4.527 -0.000 0.000 0.369 23 F C -0.294 175.377 175.800 -0.215 0.000 1.109 23 F CA -0.446 57.330 58.000 -0.373 0.000 1.132 23 F CB 0.356 39.004 39.000 -0.587 0.000 1.291 23 F HN 0.235 nan 8.300 nan 0.000 0.496 24 I N 5.227 125.507 120.570 -0.484 0.000 2.582 24 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 24 I C -0.303 175.554 176.117 -0.434 0.000 1.066 24 I CA -1.142 59.911 61.300 -0.412 0.000 1.053 24 I CB 1.817 39.592 38.000 -0.374 0.000 1.241 24 I HN 0.429 nan 8.210 nan 0.000 0.421 25 N N 4.694 123.155 118.700 -0.399 0.000 2.714 25 N HA -0.249 4.491 4.740 -0.000 0.000 0.252 25 N C 0.010 175.272 175.510 -0.413 0.000 1.014 25 N CA 1.208 54.077 53.050 -0.302 0.000 0.735 25 N CB -1.075 37.321 38.487 -0.153 0.000 0.924 25 N HN 0.921 nan 8.380 nan 0.000 0.540 26 N N -1.505 116.739 118.700 -0.759 0.000 2.714 26 N HA -0.248 4.492 4.740 -0.000 0.000 0.250 26 N C -0.862 174.253 175.510 -0.658 0.000 1.117 26 N CA 1.210 53.816 53.050 -0.739 0.000 0.719 26 N CB -0.352 38.003 38.487 -0.221 0.000 1.081 26 N HN 0.618 nan 8.380 nan 0.000 0.557 27 E N -0.900 118.823 120.200 -0.795 0.000 2.312 27 E HA 0.353 4.703 4.350 -0.000 0.000 0.267 27 E C -1.009 175.188 176.600 -0.672 0.000 0.894 27 E CA -0.698 55.372 56.400 -0.549 0.000 0.773 27 E CB 1.118 30.599 29.700 -0.365 0.000 1.241 27 E HN 0.131 nan 8.360 nan 0.000 0.432 28 W N 2.161 123.326 121.300 -0.226 0.000 2.335 28 W HA 0.281 4.941 4.660 -0.000 0.000 0.307 28 W C 0.219 176.572 176.519 -0.278 0.000 1.117 28 W CA -0.339 56.952 57.345 -0.090 0.000 1.228 28 W CB 0.777 30.252 29.460 0.025 0.000 1.240 28 W HN 0.282 nan 8.180 nan 0.000 0.468 29 H N 1.743 120.948 119.070 0.225 0.000 2.622 29 H HA 0.202 4.758 4.556 -0.000 0.000 0.363 29 H C -0.520 174.891 175.328 0.138 0.000 1.151 29 H CA -1.009 55.116 56.048 0.128 0.000 1.184 29 H CB 1.797 31.587 29.762 0.047 0.000 1.643 29 H HN 0.392 nan 8.280 nan 0.000 0.531 30 D N 0.681 121.205 120.400 0.207 0.000 2.348 30 D HA 0.387 5.027 4.640 -0.000 0.000 0.249 30 D C 0.318 176.693 176.300 0.124 0.000 1.110 30 D CA -0.841 53.241 54.000 0.137 0.000 0.967 30 D CB 0.716 41.568 40.800 0.086 0.000 1.139 30 D HN 0.606 nan 8.370 nan 0.000 0.466 31 A N 0.587 123.459 122.820 0.088 0.000 2.507 31 A HA 0.194 4.514 4.320 -0.000 0.000 0.235 31 A C 1.495 179.113 177.584 0.056 0.000 1.070 31 A CA -0.555 51.522 52.037 0.066 0.000 0.768 31 A CB 0.147 19.178 19.000 0.051 0.000 1.011 31 A HN 0.513 nan 8.150 nan 0.000 0.502 32 V N 1.981 121.920 119.914 0.042 0.000 2.392 32 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 32 V C 2.643 178.758 176.094 0.035 0.000 1.059 32 V CA 2.734 65.055 62.300 0.035 0.000 1.051 32 V CB -0.914 30.922 31.823 0.023 0.000 0.658 32 V HN 1.118 nan 8.190 nan 0.000 0.455 33 S N -0.935 114.786 115.700 0.036 0.000 2.562 33 S HA -0.025 4.445 4.470 -0.000 0.000 0.221 33 S C 1.247 175.870 174.600 0.039 0.000 0.975 33 S CA 0.459 58.681 58.200 0.036 0.000 0.918 33 S CB -0.240 62.983 63.200 0.038 0.000 0.772 33 S HN 0.590 nan 8.310 nan 0.000 0.531 34 R N -0.129 120.396 120.500 0.041 0.000 3.922 34 R HA -0.126 4.214 4.340 -0.000 0.000 0.447 34 R C -0.508 175.816 176.300 0.039 0.000 1.035 34 R CA 1.240 57.364 56.100 0.040 0.000 1.289 34 R CB -1.862 28.459 30.300 0.034 0.000 1.906 34 R HN 0.508 nan 8.270 nan 0.000 0.540 35 K N 0.858 121.286 120.400 0.046 0.000 2.276 35 K HA 0.240 4.560 4.320 -0.000 0.000 0.259 35 K C 0.432 177.064 176.600 0.054 0.000 1.001 35 K CA 0.616 56.938 56.287 0.059 0.000 0.927 35 K CB 1.041 33.585 32.500 0.074 0.000 0.969 35 K HN -0.010 nan 8.250 nan 0.000 0.490 36 T N 1.770 116.364 114.554 0.067 0.000 2.982 36 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 36 T C -1.679 173.087 174.700 0.110 0.000 1.229 36 T CA -0.886 61.226 62.100 0.020 0.000 1.044 36 T CB 0.469 69.311 68.868 -0.042 0.000 1.184 36 T HN 0.418 nan 8.240 nan 0.000 0.477 37 F N 3.593 123.565 119.950 0.037 0.000 2.522 37 F HA 0.924 5.451 4.527 -0.000 0.000 0.324 37 F C -2.843 173.010 175.800 0.088 0.000 1.077 37 F CA -2.885 55.186 58.000 0.119 0.000 0.944 37 F CB 1.226 40.375 39.000 0.247 0.000 1.175 37 F HN 0.248 nan 8.300 nan 0.000 0.468 38 P HA 0.189 nan 4.420 nan 0.000 0.282 38 P C -0.980 176.447 177.300 0.212 0.000 1.249 38 P CA -0.227 62.936 63.100 0.105 0.000 0.806 38 P CB 1.940 33.699 31.700 0.099 0.000 0.984 39 T N 1.470 116.075 114.554 0.086 0.000 2.792 39 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 39 T C -0.654 174.084 174.700 0.062 0.000 0.990 39 T CA -0.521 61.656 62.100 0.128 0.000 0.960 39 T CB 0.344 69.265 68.868 0.089 0.000 0.939 39 T HN 0.067 nan 8.240 nan 0.000 0.439 40 V N 5.620 125.573 119.914 0.065 0.000 2.612 40 V HA 0.460 4.580 4.120 -0.000 0.000 0.301 40 V C 0.454 176.557 176.094 0.016 0.000 1.046 40 V CA -1.141 61.182 62.300 0.039 0.000 0.946 40 V CB 1.730 33.592 31.823 0.066 0.000 1.003 40 V HN 0.880 nan 8.190 nan 0.000 0.459 41 N N 5.236 123.930 118.700 -0.009 0.000 2.402 41 N HA 0.229 4.969 4.740 -0.000 0.000 0.252 41 N C -1.869 173.601 175.510 -0.067 0.000 1.118 41 N CA -1.941 51.091 53.050 -0.029 0.000 0.945 41 N CB 1.654 40.128 38.487 -0.021 0.000 1.147 41 N HN 0.248 nan 8.380 nan 0.000 0.495 42 P HA -0.054 nan 4.420 nan 0.000 0.221 42 P C 0.766 177.867 177.300 -0.331 0.000 1.145 42 P CA 1.042 64.085 63.100 -0.095 0.000 0.795 42 P CB 0.368 32.031 31.700 -0.063 0.000 0.775 43 S N -1.573 114.000 115.700 -0.212 0.000 2.436 43 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 43 S C 1.670 176.274 174.600 0.006 0.000 1.014 43 S CA 1.722 59.868 58.200 -0.089 0.000 0.950 43 S CB -0.777 62.455 63.200 0.053 0.000 0.784 43 S HN 0.387 nan 8.310 nan 0.000 0.504 44 T N -3.459 111.031 114.554 -0.105 0.000 2.975 44 T HA 0.469 4.819 4.350 -0.000 0.000 0.261 44 T C 1.477 176.060 174.700 -0.194 0.000 0.984 44 T CA 0.726 62.763 62.100 -0.104 0.000 0.911 44 T CB 0.440 69.276 68.868 -0.053 0.000 1.127 44 T HN 0.452 nan 8.240 nan 0.000 0.514 45 G N 2.461 111.089 108.800 -0.286 0.000 2.184 45 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 45 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 45 G C -0.127 174.711 174.900 -0.103 0.000 0.975 45 G CA 0.448 45.378 45.100 -0.283 0.000 0.642 45 G HN 1.037 nan 8.290 nan 0.000 0.536 46 E N 0.274 120.427 120.200 -0.079 0.000 2.248 46 E HA 0.616 4.966 4.350 -0.000 0.000 0.272 46 E C 0.145 176.731 176.600 -0.024 0.000 1.008 46 E CA -1.007 55.368 56.400 -0.042 0.000 0.856 46 E CB 2.103 31.778 29.700 -0.042 0.000 1.120 46 E HN 0.158 nan 8.360 nan 0.000 0.397 47 V N 3.804 123.711 119.914 -0.013 0.000 2.599 47 V HA -0.072 4.048 4.120 -0.000 0.000 0.300 47 V C 1.360 177.440 176.094 -0.023 0.000 1.034 47 V CA 0.423 62.718 62.300 -0.007 0.000 1.115 47 V CB 0.095 31.916 31.823 -0.004 0.000 0.934 47 V HN 0.725 nan 8.190 nan 0.000 0.485 48 I N 3.742 124.298 120.570 -0.024 0.000 2.296 48 I HA 0.058 4.228 4.170 -0.000 0.000 0.242 48 I C 0.978 177.061 176.117 -0.058 0.000 1.087 48 I CA 1.296 62.572 61.300 -0.040 0.000 1.393 48 I CB 0.173 38.151 38.000 -0.036 0.000 1.093 48 I HN 0.895 nan 8.210 nan 0.000 0.421 49 C N -2.061 117.202 119.300 -0.062 0.000 3.211 49 C HA 0.494 4.954 4.460 -0.000 0.000 0.350 49 C C -0.867 174.060 174.990 -0.106 0.000 1.413 49 C CA -1.146 57.822 59.018 -0.084 0.000 1.203 49 C CB 1.115 28.794 27.740 -0.103 0.000 1.506 49 C HN 0.200 nan 8.230 nan 0.000 0.448 50 Q N 0.228 119.953 119.800 -0.125 0.000 2.260 50 Q HA 0.823 5.163 4.340 -0.000 0.000 0.242 50 Q C -0.729 175.107 176.000 -0.273 0.000 0.932 50 Q CA -0.272 55.428 55.803 -0.172 0.000 0.891 50 Q CB 1.512 30.183 28.738 -0.112 0.000 1.222 50 Q HN 0.833 nan 8.270 nan 0.000 0.453 51 V N 1.572 121.196 119.914 -0.483 0.000 2.808 51 V HA 0.671 4.791 4.120 -0.000 0.000 0.308 51 V C -0.797 174.976 176.094 -0.536 0.000 1.099 51 V CA -1.231 60.713 62.300 -0.593 0.000 0.920 51 V CB 1.855 33.081 31.823 -0.996 0.000 1.014 51 V HN 0.929 nan 8.190 nan 0.000 0.425 52 A N 2.747 125.441 122.820 -0.210 0.000 2.546 52 A HA 0.215 4.535 4.320 -0.000 0.000 0.243 52 A C 0.397 178.005 177.584 0.040 0.000 1.063 52 A CA 0.309 52.317 52.037 -0.047 0.000 0.757 52 A CB -0.035 18.999 19.000 0.056 0.000 0.991 52 A HN 0.898 nan 8.150 nan 0.000 0.503 53 E N 3.039 123.292 120.200 0.088 0.000 1.936 53 E HA 0.353 4.703 4.350 -0.000 0.000 0.267 53 E C 0.606 177.205 176.600 -0.003 0.000 1.076 53 E CA -0.290 56.167 56.400 0.095 0.000 0.870 53 E CB 0.199 29.916 29.700 0.028 0.000 1.093 53 E HN 0.798 nan 8.360 nan 0.000 0.411 54 G N 3.478 112.285 108.800 0.011 0.000 2.483 54 G HA2 0.045 4.005 3.960 -0.000 0.000 0.248 54 G HA3 0.045 4.005 3.960 -0.000 0.000 0.248 54 G C -0.331 174.552 174.900 -0.029 0.000 1.248 54 G CA -0.217 44.888 45.100 0.008 0.000 0.838 54 G HN 0.607 nan 8.290 nan 0.000 0.566 55 D N -0.098 120.303 120.400 0.000 0.000 2.837 55 D HA 0.185 4.825 4.640 -0.000 0.000 0.294 55 D C 1.206 177.520 176.300 0.023 0.000 1.158 55 D CA -0.801 53.205 54.000 0.010 0.000 1.073 55 D CB 1.730 42.540 40.800 0.017 0.000 1.419 55 D HN 0.289 nan 8.370 nan 0.000 0.584 56 K N 0.426 120.843 120.400 0.028 0.000 2.059 56 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 56 K C 1.599 178.218 176.600 0.031 0.000 1.050 56 K CA 1.848 58.153 56.287 0.031 0.000 0.927 56 K CB 0.022 32.533 32.500 0.019 0.000 0.714 56 K HN 0.318 nan 8.250 nan 0.000 0.447 57 E N 0.204 120.416 120.200 0.021 0.000 2.110 57 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 57 E C 1.770 178.375 176.600 0.009 0.000 0.988 57 E CA 1.333 57.742 56.400 0.016 0.000 0.804 57 E CB -0.011 29.695 29.700 0.012 0.000 0.745 57 E HN 0.445 nan 8.360 nan 0.000 0.458 58 D N 0.372 120.776 120.400 0.007 0.000 2.144 58 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 58 D C 2.100 178.393 176.300 -0.011 0.000 0.978 58 D CA 0.844 54.838 54.000 -0.010 0.000 0.833 58 D CB 0.102 40.906 40.800 0.006 0.000 0.961 58 D HN 0.049 nan 8.370 nan 0.000 0.470 59 V N 1.429 121.354 119.914 0.019 0.000 2.343 59 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 59 V C 2.146 178.268 176.094 0.046 0.000 1.051 59 V CA 1.815 64.135 62.300 0.034 0.000 1.036 59 V CB -0.409 31.455 31.823 0.069 0.000 0.654 59 V HN 0.071 nan 8.190 nan 0.000 0.451 60 D N -0.112 120.341 120.400 0.088 0.000 2.144 60 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 60 D C 2.198 178.520 176.300 0.036 0.000 0.984 60 D CA 1.339 55.421 54.000 0.138 0.000 0.834 60 D CB -0.046 40.824 40.800 0.117 0.000 0.955 60 D HN 0.383 nan 8.370 nan 0.000 0.465 61 K N -0.150 120.239 120.400 -0.019 0.000 2.097 61 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 61 K C 2.156 178.693 176.600 -0.105 0.000 1.050 61 K CA 1.030 57.272 56.287 -0.074 0.000 0.938 61 K CB -0.088 32.336 32.500 -0.127 0.000 0.718 61 K HN 0.115 nan 8.250 nan 0.000 0.442 62 A N 0.997 123.756 122.820 -0.102 0.000 1.898 62 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 62 A C 2.356 179.872 177.584 -0.114 0.000 1.181 62 A CA 1.285 53.255 52.037 -0.112 0.000 0.620 62 A CB -0.589 18.362 19.000 -0.081 0.000 0.819 62 A HN 0.061 nan 8.150 nan 0.000 0.442 63 V N 0.595 120.428 119.914 -0.135 0.000 2.427 63 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 63 V C 2.463 178.472 176.094 -0.141 0.000 1.051 63 V CA 2.048 64.220 62.300 -0.213 0.000 1.048 63 V CB -0.606 30.910 31.823 -0.512 0.000 0.666 63 V HN 0.451 nan 8.190 nan 0.000 0.456 64 K N 0.585 120.933 120.400 -0.086 0.000 2.057 64 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 64 K C 2.312 178.888 176.600 -0.041 0.000 1.049 64 K CA 1.624 57.887 56.287 -0.041 0.000 0.931 64 K CB -0.647 31.840 32.500 -0.021 0.000 0.714 64 K HN 0.483 nan 8.250 nan 0.000 0.440 65 A N 1.552 124.332 122.820 -0.066 0.000 1.930 65 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 65 A C 2.435 179.991 177.584 -0.047 0.000 1.175 65 A CA 1.898 53.894 52.037 -0.068 0.000 0.627 65 A CB -0.518 18.415 19.000 -0.112 0.000 0.815 65 A HN 0.315 nan 8.150 nan 0.000 0.443 66 A N -0.144 122.641 122.820 -0.058 0.000 1.873 66 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 66 A C 2.182 179.788 177.584 0.037 0.000 1.186 66 A CA 2.049 54.065 52.037 -0.035 0.000 0.616 66 A CB -0.448 18.506 19.000 -0.076 0.000 0.823 66 A HN 0.446 nan 8.150 nan 0.000 0.442 67 R N 0.327 120.837 120.500 0.017 0.000 2.081 67 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 67 R C 2.100 178.478 176.300 0.131 0.000 1.131 67 R CA 1.993 58.141 56.100 0.080 0.000 0.960 67 R CB -0.919 29.401 30.300 0.033 0.000 0.856 67 R HN 0.397 nan 8.270 nan 0.000 0.436 68 A N 0.218 123.083 122.820 0.074 0.000 1.877 68 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 68 A C 2.351 179.992 177.584 0.096 0.000 1.186 68 A CA 1.773 53.851 52.037 0.069 0.000 0.620 68 A CB -1.109 17.910 19.000 0.031 0.000 0.822 68 A HN 0.474 nan 8.150 nan 0.000 0.443 69 A N -2.213 120.667 122.820 0.100 0.000 2.121 69 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 69 A C 1.774 179.506 177.584 0.247 0.000 1.154 69 A CA 1.301 53.415 52.037 0.128 0.000 0.679 69 A CB -0.563 18.472 19.000 0.058 0.000 0.795 69 A HN 0.598 nan 8.150 nan 0.000 0.458 70 F N 0.194 120.210 119.950 0.110 0.000 2.765 70 F HA 0.183 4.710 4.527 -0.000 0.000 0.302 70 F C 0.727 176.595 175.800 0.112 0.000 1.111 70 F CA -0.160 57.933 58.000 0.155 0.000 1.359 70 F CB 0.167 39.242 39.000 0.126 0.000 1.097 70 F HN 0.095 nan 8.300 nan 0.000 0.577 71 Q N 1.577 121.436 119.800 0.099 0.000 2.361 71 Q HA 0.027 4.367 4.340 -0.000 0.000 0.276 71 Q C -0.208 175.752 176.000 -0.066 0.000 1.022 71 Q CA -0.155 55.664 55.803 0.027 0.000 0.898 71 Q CB 0.702 29.471 28.738 0.051 0.000 1.246 71 Q HN 0.220 nan 8.270 nan 0.000 0.410 72 L N 1.665 122.843 121.223 -0.075 0.000 2.578 72 L HA 0.118 4.458 4.340 -0.000 0.000 0.279 72 L C 1.267 178.108 176.870 -0.049 0.000 1.227 72 L CA 2.235 57.022 54.840 -0.087 0.000 0.900 72 L CB -0.033 41.996 42.059 -0.051 0.000 1.144 72 L HN 0.921 nan 8.230 nan 0.000 0.496 73 G N 1.964 110.732 108.800 -0.054 0.000 2.217 73 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 73 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 73 G C 0.354 175.249 174.900 -0.009 0.000 0.990 73 G CA 0.330 45.414 45.100 -0.027 0.000 0.627 73 G HN 1.118 nan 8.290 nan 0.000 0.522 74 S N 0.730 116.429 115.700 -0.002 0.000 2.589 74 S HA 0.534 5.004 4.470 -0.000 0.000 0.265 74 S C -0.625 174.013 174.600 0.064 0.000 1.342 74 S CA -0.209 58.015 58.200 0.041 0.000 1.005 74 S CB 1.754 64.996 63.200 0.071 0.000 0.909 74 S HN 0.030 nan 8.310 nan 0.000 0.555 75 P HA -0.122 nan 4.420 nan 0.000 0.216 75 P C 1.292 178.710 177.300 0.197 0.000 1.153 75 P CA 1.262 64.434 63.100 0.120 0.000 0.858 75 P CB -0.112 31.668 31.700 0.132 0.000 0.789 76 W N 0.208 121.524 121.300 0.026 0.000 2.381 76 W HA -0.158 4.502 4.660 -0.000 0.000 0.301 76 W C 1.779 178.302 176.519 0.006 0.000 1.205 76 W CA 0.783 58.156 57.345 0.048 0.000 1.285 76 W CB -0.141 29.375 29.460 0.093 0.000 1.133 76 W HN -0.154 nan 8.180 nan 0.000 0.521 77 R N 0.339 120.836 120.500 -0.005 0.000 2.090 77 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 77 R C 2.092 178.293 176.300 -0.164 0.000 1.110 77 R CA 1.044 57.027 56.100 -0.195 0.000 0.973 77 R CB -0.741 29.425 30.300 -0.223 0.000 0.869 77 R HN 0.321 nan 8.270 nan 0.000 0.440 78 R N -0.128 120.319 120.500 -0.088 0.000 2.200 78 R HA 0.130 4.470 4.340 -0.000 0.000 0.208 78 R C 1.159 177.410 176.300 -0.082 0.000 1.033 78 R CA -0.151 55.905 56.100 -0.073 0.000 1.000 78 R CB -0.101 30.175 30.300 -0.039 0.000 0.906 78 R HN 0.127 nan 8.270 nan 0.000 0.462 79 M N 2.234 121.782 119.600 -0.088 0.000 2.248 79 M HA -0.082 4.398 4.480 -0.000 0.000 0.343 79 M C -0.685 175.552 176.300 -0.104 0.000 1.243 79 M CA 0.551 55.805 55.300 -0.077 0.000 1.025 79 M CB 0.489 33.055 32.600 -0.056 0.000 1.759 79 M HN -0.069 nan 8.290 nan 0.000 0.452 80 D N 3.827 124.197 120.400 -0.050 0.000 2.414 80 D HA 0.119 4.759 4.640 -0.000 0.000 0.242 80 D C 0.802 177.078 176.300 -0.039 0.000 1.129 80 D CA 0.535 54.513 54.000 -0.037 0.000 0.885 80 D CB 1.116 41.910 40.800 -0.010 0.000 1.198 80 D HN 0.763 nan 8.370 nan 0.000 0.437 81 A N 2.195 124.985 122.820 -0.049 0.000 1.908 81 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 81 A C 2.099 179.675 177.584 -0.012 0.000 1.181 81 A CA 2.262 54.270 52.037 -0.048 0.000 0.627 81 A CB -0.656 18.335 19.000 -0.014 0.000 0.818 81 A HN 0.595 nan 8.150 nan 0.000 0.445 82 S N -1.296 114.411 115.700 0.012 0.000 2.419 82 S HA -0.237 4.233 4.470 -0.000 0.000 0.233 82 S C 1.829 176.456 174.600 0.045 0.000 1.016 82 S CA 1.600 59.815 58.200 0.025 0.000 0.974 82 S CB -0.654 62.563 63.200 0.028 0.000 0.786 82 S HN 0.722 nan 8.310 nan 0.000 0.492 83 H N 1.757 120.797 119.070 -0.050 0.000 2.395 83 H HA 0.237 4.793 4.556 -0.000 0.000 0.299 83 H C 2.292 177.589 175.328 -0.050 0.000 1.070 83 H CA 1.448 57.465 56.048 -0.051 0.000 1.356 83 H CB -0.105 29.623 29.762 -0.056 0.000 1.401 83 H HN 0.354 nan 8.280 nan 0.000 0.524 84 R N -0.716 119.734 120.500 -0.083 0.000 2.105 84 R HA -0.088 4.252 4.340 -0.000 0.000 0.239 84 R C 2.470 178.768 176.300 -0.003 0.000 1.135 84 R CA 1.098 57.161 56.100 -0.060 0.000 0.967 84 R CB -0.505 29.725 30.300 -0.116 0.000 0.861 84 R HN 0.412 nan 8.270 nan 0.000 0.442 85 G N 1.038 109.831 108.800 -0.011 0.000 2.408 85 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 85 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 85 G C 1.443 176.324 174.900 -0.031 0.000 1.150 85 G CA 0.135 45.245 45.100 0.017 0.000 0.776 85 G HN 0.111 nan 8.290 nan 0.000 0.542 86 R N 0.234 120.662 120.500 -0.119 0.000 2.081 86 R HA 0.083 4.423 4.340 -0.000 0.000 0.235 86 R C 2.635 178.815 176.300 -0.200 0.000 1.131 86 R CA 0.566 56.572 56.100 -0.157 0.000 0.960 86 R CB -1.152 29.013 30.300 -0.224 0.000 0.856 86 R HN 0.397 nan 8.270 nan 0.000 0.436 87 L N 0.429 121.443 121.223 -0.349 0.000 2.046 87 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 87 L C 2.488 179.321 176.870 -0.062 0.000 1.077 87 L CA 1.109 55.687 54.840 -0.436 0.000 0.747 87 L CB -0.480 40.979 42.059 -1.000 0.000 0.896 87 L HN 0.115 nan 8.230 nan 0.000 0.432 88 L N -0.423 120.878 121.223 0.130 0.000 2.046 88 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 88 L C 2.364 179.334 176.870 0.167 0.000 1.077 88 L CA 1.037 56.045 54.840 0.280 0.000 0.747 88 L CB -0.560 41.656 42.059 0.261 0.000 0.896 88 L HN 0.357 nan 8.230 nan 0.000 0.432 89 N N -0.159 118.593 118.700 0.088 0.000 2.244 89 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 89 N C 1.956 177.503 175.510 0.061 0.000 1.016 89 N CA 0.880 53.970 53.050 0.066 0.000 0.866 89 N CB -0.146 38.360 38.487 0.033 0.000 0.980 89 N HN 0.171 nan 8.380 nan 0.000 0.430 90 R N 1.196 121.723 120.500 0.044 0.000 2.075 90 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 90 R C 2.027 178.380 176.300 0.088 0.000 1.126 90 R CA 0.748 56.874 56.100 0.043 0.000 0.963 90 R CB -0.952 29.347 30.300 -0.001 0.000 0.858 90 R HN 0.144 nan 8.270 nan 0.000 0.435 91 L N 0.355 121.669 121.223 0.152 0.000 2.046 91 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 91 L C 2.109 179.045 176.870 0.112 0.000 1.077 91 L CA 2.277 57.217 54.840 0.166 0.000 0.747 91 L CB -1.040 41.166 42.059 0.245 0.000 0.896 91 L HN 0.272 nan 8.230 nan 0.000 0.432 92 A N -0.893 121.994 122.820 0.112 0.000 1.902 92 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 92 A C 2.016 179.645 177.584 0.076 0.000 1.181 92 A CA 1.912 54.005 52.037 0.093 0.000 0.623 92 A CB -0.837 18.221 19.000 0.096 0.000 0.818 92 A HN 0.552 nan 8.150 nan 0.000 0.443 93 D N 0.021 120.463 120.400 0.070 0.000 2.144 93 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 93 D C 1.960 178.298 176.300 0.064 0.000 0.984 93 D CA 1.012 55.048 54.000 0.060 0.000 0.834 93 D CB -0.280 40.550 40.800 0.050 0.000 0.955 93 D HN 0.468 nan 8.370 nan 0.000 0.465 94 L N 0.411 121.674 121.223 0.067 0.000 2.056 94 L HA -0.085 4.254 4.340 -0.000 0.000 0.207 94 L C 2.545 179.470 176.870 0.092 0.000 1.078 94 L CA 0.613 55.493 54.840 0.067 0.000 0.749 94 L CB -0.224 41.865 42.059 0.052 0.000 0.901 94 L HN -0.003 nan 8.230 nan 0.000 0.433 95 I N -0.199 120.428 120.570 0.094 0.000 2.315 95 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 95 I C 2.557 178.738 176.117 0.106 0.000 1.117 95 I CA 1.252 62.622 61.300 0.118 0.000 1.404 95 I CB -0.154 37.904 38.000 0.097 0.000 1.071 95 I HN 0.335 nan 8.210 nan 0.000 0.419 96 E N 1.145 121.392 120.200 0.078 0.000 2.150 96 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 96 E C 2.372 179.023 176.600 0.086 0.000 0.985 96 E CA 0.685 57.121 56.400 0.061 0.000 0.814 96 E CB 0.045 29.772 29.700 0.046 0.000 0.752 96 E HN 0.275 nan 8.360 nan 0.000 0.466 97 R N 0.432 120.987 120.500 0.092 0.000 2.081 97 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 97 R C 0.374 176.751 176.300 0.127 0.000 1.131 97 R CA 1.746 57.904 56.100 0.096 0.000 0.960 97 R CB 0.052 30.398 30.300 0.078 0.000 0.856 97 R HN 0.104 nan 8.270 nan 0.000 0.436 98 D N 0.027 120.524 120.400 0.160 0.000 2.460 98 D HA 0.024 4.664 4.640 -0.000 0.000 0.229 98 D C 1.065 177.522 176.300 0.261 0.000 1.170 98 D CA -0.017 54.116 54.000 0.223 0.000 0.827 98 D CB 0.243 41.228 40.800 0.310 0.000 0.973 98 D HN 0.247 nan 8.370 nan 0.000 0.496 99 R N 0.375 120.995 120.500 0.200 0.000 2.082 99 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 99 R C 1.526 178.001 176.300 0.292 0.000 1.136 99 R CA 1.658 57.854 56.100 0.161 0.000 0.935 99 R CB -0.134 30.184 30.300 0.030 0.000 0.842 99 R HN -0.013 nan 8.270 nan 0.000 0.430 100 T N 0.211 115.012 114.554 0.411 0.000 2.665 100 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 100 T C 1.417 176.369 174.700 0.421 0.000 1.035 100 T CA 1.816 64.212 62.100 0.493 0.000 1.151 100 T CB -0.556 68.534 68.868 0.369 0.000 0.862 100 T HN 0.427 nan 8.240 nan 0.000 0.438 101 Y N 1.522 121.943 120.300 0.200 0.000 2.114 101 Y HA -0.060 4.490 4.550 -0.000 0.000 0.284 101 Y C 2.104 178.072 175.900 0.113 0.000 1.143 101 Y CA 1.159 59.329 58.100 0.117 0.000 1.135 101 Y CB -0.567 37.905 38.460 0.020 0.000 0.980 101 Y HN 0.096 nan 8.280 nan 0.000 0.499 102 L N -0.131 121.179 121.223 0.146 0.000 2.083 102 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 102 L C 2.746 179.637 176.870 0.035 0.000 1.083 102 L CA 1.163 56.023 54.840 0.033 0.000 0.752 102 L CB -0.827 41.342 42.059 0.183 0.000 0.899 102 L HN 0.419 nan 8.230 nan 0.000 0.433 103 A N -0.268 122.639 122.820 0.146 0.000 1.898 103 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 103 A C 2.503 180.254 177.584 0.279 0.000 1.181 103 A CA 1.626 53.758 52.037 0.158 0.000 0.620 103 A CB -0.641 18.456 19.000 0.162 0.000 0.819 103 A HN 0.407 nan 8.150 nan 0.000 0.442 104 A N -0.549 122.518 122.820 0.413 0.000 1.873 104 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 104 A C 2.109 179.788 177.584 0.158 0.000 1.186 104 A CA 1.691 53.972 52.037 0.407 0.000 0.616 104 A CB -0.621 18.512 19.000 0.221 0.000 0.823 104 A HN 0.661 nan 8.150 nan 0.000 0.442 105 L N -0.179 120.978 121.223 -0.109 0.000 2.141 105 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 105 L C 2.170 178.997 176.870 -0.071 0.000 1.094 105 L CA 2.543 57.273 54.840 -0.183 0.000 0.763 105 L CB -0.531 41.262 42.059 -0.445 0.000 0.908 105 L HN 0.510 nan 8.230 nan 0.000 0.437 106 E N -1.022 119.155 120.200 -0.039 0.000 2.047 106 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 106 E C 2.023 178.588 176.600 -0.057 0.000 0.987 106 E CA 1.991 58.372 56.400 -0.032 0.000 0.799 106 E CB -0.342 29.348 29.700 -0.016 0.000 0.752 106 E HN 0.463 nan 8.360 nan 0.000 0.449 107 T N 0.842 115.356 114.554 -0.067 0.000 2.708 107 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 107 T C 1.770 176.365 174.700 -0.174 0.000 1.037 107 T CA 1.251 63.235 62.100 -0.194 0.000 1.146 107 T CB -0.425 68.197 68.868 -0.411 0.000 0.865 107 T HN 0.127 nan 8.240 nan 0.000 0.435 108 L N 1.122 122.323 121.223 -0.036 0.000 2.042 108 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 108 L C 2.044 178.908 176.870 -0.010 0.000 1.076 108 L CA 1.922 56.796 54.840 0.057 0.000 0.749 108 L CB -0.342 41.789 42.059 0.121 0.000 0.893 108 L HN 0.122 nan 8.230 nan 0.000 0.432 109 D N -1.912 118.472 120.400 -0.028 0.000 2.271 109 D HA -0.125 4.515 4.640 -0.000 0.000 0.206 109 D C 1.885 178.158 176.300 -0.044 0.000 0.967 109 D CA 0.627 54.612 54.000 -0.025 0.000 0.867 109 D CB 0.054 40.849 40.800 -0.010 0.000 0.960 109 D HN 0.380 nan 8.370 nan 0.000 0.509 110 N N -0.815 117.844 118.700 -0.069 0.000 2.436 110 N HA 0.005 4.745 4.740 -0.000 0.000 0.178 110 N C 1.372 176.799 175.510 -0.138 0.000 1.026 110 N CA 1.599 54.594 53.050 -0.091 0.000 0.880 110 N CB 0.823 39.254 38.487 -0.094 0.000 1.061 110 N HN 0.257 nan 8.380 nan 0.000 0.434 111 G N 1.340 110.043 108.800 -0.162 0.000 2.278 111 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.210 111 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.210 111 G C -0.152 174.620 174.900 -0.213 0.000 1.000 111 G CA 0.272 45.250 45.100 -0.203 0.000 0.635 111 G HN 0.644 nan 8.290 nan 0.000 0.495 112 K N 1.167 121.443 120.400 -0.206 0.000 2.380 112 K HA 0.440 4.760 4.320 -0.000 0.000 0.267 112 K C -2.691 173.805 176.600 -0.172 0.000 0.990 112 K CA -1.174 54.993 56.287 -0.201 0.000 0.946 112 K CB 0.326 32.685 32.500 -0.235 0.000 0.937 112 K HN 0.076 nan 8.250 nan 0.000 0.491 113 P HA -0.123 nan 4.420 nan 0.000 0.262 113 P C -0.294 176.975 177.300 -0.051 0.000 1.182 113 P CA 0.054 63.112 63.100 -0.069 0.000 0.761 113 P CB 0.128 31.826 31.700 -0.004 0.000 0.795 114 Y N 4.710 124.899 120.300 -0.185 0.000 2.207 114 Y HA -0.253 4.297 4.550 -0.000 0.000 0.287 114 Y C 1.838 177.764 175.900 0.042 0.000 1.156 114 Y CA 1.737 59.773 58.100 -0.107 0.000 1.182 114 Y CB -0.768 37.642 38.460 -0.084 0.000 0.979 114 Y HN 0.084 nan 8.280 nan 0.000 0.521 115 V N 0.328 120.231 119.914 -0.018 0.000 2.392 115 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 115 V C 2.311 178.403 176.094 -0.003 0.000 1.059 115 V CA 1.778 64.057 62.300 -0.034 0.000 1.051 115 V CB -0.618 31.248 31.823 0.072 0.000 0.658 115 V HN 0.434 nan 8.190 nan 0.000 0.455 116 I N -0.580 120.005 120.570 0.025 0.000 2.233 116 I HA -0.131 4.039 4.170 -0.000 0.000 0.243 116 I C 2.633 178.779 176.117 0.049 0.000 1.093 116 I CA 1.391 62.744 61.300 0.088 0.000 1.380 116 I CB -1.514 36.545 38.000 0.099 0.000 1.067 116 I HN 0.246 nan 8.210 nan 0.000 0.413 117 S N -0.009 115.672 115.700 -0.031 0.000 2.374 117 S HA -0.250 4.220 4.470 -0.000 0.000 0.227 117 S C 2.067 176.638 174.600 -0.048 0.000 1.037 117 S CA 1.607 59.782 58.200 -0.042 0.000 1.024 117 S CB -0.379 62.781 63.200 -0.067 0.000 0.861 117 S HN 0.475 nan 8.310 nan 0.000 0.456 118 Y N 1.299 121.433 120.300 -0.276 0.000 2.153 118 Y HA 0.094 4.644 4.550 -0.000 0.000 0.289 118 Y C 1.872 177.718 175.900 -0.090 0.000 1.119 118 Y CA 1.415 59.371 58.100 -0.239 0.000 1.116 118 Y CB -0.186 38.001 38.460 -0.455 0.000 1.004 118 Y HN 0.139 nan 8.280 nan 0.000 0.501 119 L N -1.164 120.137 121.223 0.130 0.000 2.313 119 L HA -0.068 4.272 4.340 -0.000 0.000 0.214 119 L C 1.544 178.449 176.870 0.059 0.000 1.119 119 L CA 0.292 55.191 54.840 0.099 0.000 0.809 119 L CB -0.191 41.965 42.059 0.161 0.000 0.933 119 L HN 0.174 nan 8.230 nan 0.000 0.449 120 V N -1.176 118.788 119.914 0.082 0.000 3.050 120 V HA -0.023 4.097 4.120 -0.000 0.000 0.223 120 V C 1.611 177.757 176.094 0.087 0.000 1.162 120 V CA 0.772 63.146 62.300 0.123 0.000 1.247 120 V CB -0.298 31.678 31.823 0.255 0.000 1.125 120 V HN 0.143 nan 8.190 nan 0.000 0.508 121 D N 0.860 121.320 120.400 0.100 0.000 2.103 121 D HA -0.199 4.441 4.640 -0.000 0.000 0.190 121 D C 1.899 178.202 176.300 0.004 0.000 0.997 121 D CA 1.489 55.529 54.000 0.066 0.000 0.833 121 D CB -0.283 40.566 40.800 0.083 0.000 0.961 121 D HN 0.166 nan 8.370 nan 0.000 0.447 122 L N 0.284 121.487 121.223 -0.034 0.000 2.141 122 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 122 L C 1.788 178.619 176.870 -0.065 0.000 1.094 122 L CA 1.451 56.252 54.840 -0.064 0.000 0.763 122 L CB -0.515 41.465 42.059 -0.132 0.000 0.908 122 L HN 0.020 nan 8.230 nan 0.000 0.437 123 D N -1.016 119.340 120.400 -0.073 0.000 2.117 123 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 123 D C 2.224 178.533 176.300 0.014 0.000 0.982 123 D CA 1.305 55.281 54.000 -0.041 0.000 0.828 123 D CB 0.076 40.859 40.800 -0.027 0.000 0.967 123 D HN 0.233 nan 8.370 nan 0.000 0.464 124 M N -0.497 119.121 119.600 0.029 0.000 2.254 124 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 124 M C 2.081 178.434 176.300 0.088 0.000 1.066 124 M CA 0.459 55.798 55.300 0.066 0.000 1.123 124 M CB 0.186 32.819 32.600 0.054 0.000 1.388 124 M HN 0.011 nan 8.290 nan 0.000 0.425 125 V N 0.944 120.886 119.914 0.047 0.000 2.307 125 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 125 V C 2.285 178.438 176.094 0.097 0.000 1.045 125 V CA 1.562 63.901 62.300 0.064 0.000 1.024 125 V CB -0.532 31.308 31.823 0.028 0.000 0.651 125 V HN 0.443 nan 8.190 nan 0.000 0.449 126 L N -0.498 120.766 121.223 0.069 0.000 2.017 126 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 126 L C 2.593 179.525 176.870 0.103 0.000 1.073 126 L CA 1.824 56.709 54.840 0.075 0.000 0.745 126 L CB -0.649 41.434 42.059 0.040 0.000 0.894 126 L HN 0.278 nan 8.230 nan 0.000 0.432 127 K N -0.840 119.619 120.400 0.098 0.000 2.148 127 K HA -0.193 4.127 4.320 -0.000 0.000 0.204 127 K C 2.283 178.982 176.600 0.164 0.000 1.050 127 K CA 1.482 57.836 56.287 0.111 0.000 0.942 127 K CB -0.430 32.117 32.500 0.080 0.000 0.724 127 K HN 0.415 nan 8.250 nan 0.000 0.446 128 C N 1.211 120.633 119.300 0.205 0.000 2.462 128 C HA -0.040 4.420 4.460 -0.000 0.000 0.278 128 C C 2.435 177.657 174.990 0.386 0.000 1.253 128 C CA 0.510 59.714 59.018 0.309 0.000 1.713 128 C CB -0.905 27.087 27.740 0.419 0.000 2.049 128 C HN 0.393 nan 8.230 nan 0.000 0.477 129 L N 0.441 121.841 121.223 0.294 0.000 2.017 129 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 129 L C 3.067 180.085 176.870 0.247 0.000 1.073 129 L CA 1.832 56.837 54.840 0.274 0.000 0.745 129 L CB -0.713 41.459 42.059 0.188 0.000 0.894 129 L HN 0.353 nan 8.230 nan 0.000 0.432 130 R N -1.274 119.340 120.500 0.190 0.000 2.096 130 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 130 R C 2.273 178.648 176.300 0.126 0.000 1.127 130 R CA 1.593 57.776 56.100 0.137 0.000 0.968 130 R CB -0.467 29.897 30.300 0.105 0.000 0.861 130 R HN 0.305 nan 8.270 nan 0.000 0.440 131 Y N 0.167 120.480 120.300 0.021 0.000 2.133 131 Y HA -0.247 4.303 4.550 -0.000 0.000 0.287 131 Y C 1.680 177.548 175.900 -0.054 0.000 1.134 131 Y CA 1.434 59.486 58.100 -0.079 0.000 1.133 131 Y CB -0.449 37.911 38.460 -0.168 0.000 0.987 131 Y HN -0.010 nan 8.280 nan 0.000 0.502 132 Y N -0.210 120.206 120.300 0.193 0.000 2.352 132 Y HA -0.136 4.413 4.550 -0.000 0.000 0.292 132 Y C 2.582 178.536 175.900 0.090 0.000 1.136 132 Y CA 0.698 58.884 58.100 0.144 0.000 1.227 132 Y CB -0.462 38.114 38.460 0.192 0.000 0.991 132 Y HN 0.291 nan 8.280 nan 0.000 0.545 133 A N 0.053 122.985 122.820 0.188 0.000 1.933 133 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 133 A C 2.495 180.102 177.584 0.037 0.000 1.175 133 A CA 1.717 53.827 52.037 0.122 0.000 0.628 133 A CB -1.362 17.694 19.000 0.094 0.000 0.814 133 A HN 0.459 nan 8.150 nan 0.000 0.444 134 G N -2.471 106.287 108.800 -0.071 0.000 2.471 134 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 134 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 134 G C 1.306 176.070 174.900 -0.225 0.000 1.125 134 G CA 0.624 45.608 45.100 -0.193 0.000 0.775 134 G HN 0.677 nan 8.290 nan 0.000 0.548 135 W N 0.519 121.711 121.300 -0.180 0.000 2.658 135 W HA 0.315 4.975 4.660 -0.000 0.000 0.263 135 W C 2.724 179.215 176.519 -0.047 0.000 1.274 135 W CA 0.176 57.437 57.345 -0.140 0.000 1.343 135 W CB 0.325 29.697 29.460 -0.147 0.000 1.106 135 W HN 0.240 nan 8.180 nan 0.000 0.615 136 A N 1.239 124.188 122.820 0.214 0.000 1.915 136 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 136 A C 1.353 179.001 177.584 0.107 0.000 1.198 136 A CA 2.509 54.631 52.037 0.142 0.000 0.647 136 A CB -0.908 18.145 19.000 0.089 0.000 0.825 136 A HN 0.369 nan 8.150 nan 0.000 0.456 137 D N -2.235 118.207 120.400 0.070 0.000 2.559 137 D HA 0.211 4.851 4.640 -0.000 0.000 0.234 137 D C 0.473 176.775 176.300 0.002 0.000 1.226 137 D CA -0.015 54.008 54.000 0.037 0.000 0.830 137 D CB 0.030 40.840 40.800 0.018 0.000 1.028 137 D HN 0.491 nan 8.370 nan 0.000 0.492 138 K N -0.515 119.903 120.400 0.030 0.000 2.520 138 K HA 0.058 4.378 4.320 -0.000 0.000 0.206 138 K C -0.579 175.959 176.600 -0.103 0.000 1.122 138 K CA -0.544 55.661 56.287 -0.136 0.000 1.045 138 K CB 0.790 33.216 32.500 -0.124 0.000 0.932 138 K HN -0.019 nan 8.250 nan 0.000 0.571 139 Y N 2.793 123.048 120.300 -0.075 0.000 2.691 139 Y HA 0.180 4.730 4.550 -0.000 0.000 0.338 139 Y C -0.447 175.362 175.900 -0.150 0.000 1.148 139 Y CA -1.402 56.671 58.100 -0.045 0.000 1.430 139 Y CB -0.782 37.693 38.460 0.026 0.000 1.303 139 Y HN 0.090 nan 8.280 nan 0.000 0.499 140 H N 1.492 120.491 119.070 -0.117 0.000 2.690 140 H HA 0.448 5.004 4.556 -0.000 0.000 0.365 140 H C 0.875 175.805 175.328 -0.664 0.000 1.142 140 H CA 0.230 56.112 56.048 -0.277 0.000 1.417 140 H CB 0.895 30.580 29.762 -0.129 0.000 1.446 140 H HN 0.744 nan 8.280 nan 0.000 0.599 141 G N 0.650 109.184 108.800 -0.444 0.000 2.543 141 G HA2 0.476 4.436 3.960 -0.000 0.000 0.267 141 G HA3 0.476 4.436 3.960 -0.000 0.000 0.267 141 G C -0.776 173.993 174.900 -0.218 0.000 1.406 141 G CA -0.831 43.906 45.100 -0.605 0.000 1.048 141 G HN 0.539 nan 8.290 nan 0.000 0.548 142 K N -0.844 119.505 120.400 -0.085 0.000 2.443 142 K HA 0.542 4.862 4.320 -0.000 0.000 0.251 142 K C -1.053 175.584 176.600 0.060 0.000 0.972 142 K CA -0.707 55.575 56.287 -0.008 0.000 0.833 142 K CB 2.223 34.728 32.500 0.009 0.000 1.317 142 K HN 0.604 nan 8.250 nan 0.000 0.441 143 T N -0.836 113.767 114.554 0.081 0.000 2.770 143 T HA 0.563 4.913 4.350 -0.000 0.000 0.283 143 T C -0.022 174.751 174.700 0.121 0.000 0.988 143 T CA -0.744 61.453 62.100 0.161 0.000 0.957 143 T CB -0.015 69.002 68.868 0.248 0.000 0.930 143 T HN 0.376 nan 8.240 nan 0.000 0.443 144 I N 5.324 125.959 120.570 0.108 0.000 2.336 144 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 144 I C -1.801 174.377 176.117 0.102 0.000 0.991 144 I CA -2.746 58.600 61.300 0.076 0.000 1.227 144 I CB 2.057 40.076 38.000 0.032 0.000 1.366 144 I HN 0.473 nan 8.210 nan 0.000 0.466 145 P HA 0.154 nan 4.420 nan 0.000 0.226 145 P C 0.022 177.370 177.300 0.081 0.000 1.783 145 P CA -0.125 63.029 63.100 0.091 0.000 0.980 145 P CB -0.508 31.232 31.700 0.067 0.000 1.967 146 I N -2.096 118.529 120.570 0.091 0.000 3.060 146 I HA 0.267 4.437 4.170 -0.000 0.000 0.285 146 I C -0.008 176.176 176.117 0.111 0.000 1.190 146 I CA -0.361 60.983 61.300 0.074 0.000 1.363 146 I CB 0.334 38.357 38.000 0.039 0.000 1.396 146 I HN -0.143 nan 8.210 nan 0.000 0.607 147 D N 2.790 123.245 120.400 0.091 0.000 2.382 147 D HA 0.453 5.093 4.640 -0.000 0.000 0.240 147 D C 0.556 176.993 176.300 0.230 0.000 1.146 147 D CA 1.296 55.366 54.000 0.116 0.000 0.897 147 D CB 0.929 41.775 40.800 0.077 0.000 1.197 147 D HN 1.119 nan 8.370 nan 0.000 0.432 148 G N 1.556 110.480 108.800 0.208 0.000 2.795 148 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.664 148 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.664 148 G C -0.783 174.193 174.900 0.128 0.000 1.381 148 G CA -0.811 44.440 45.100 0.251 0.000 0.853 148 G HN 0.509 nan 8.290 nan 0.000 0.545 149 D N 0.908 121.172 120.400 -0.227 0.000 2.545 149 D HA 0.460 5.100 4.640 -0.000 0.000 0.227 149 D C -0.073 175.802 176.300 -0.709 0.000 1.150 149 D CA 1.103 54.883 54.000 -0.366 0.000 1.046 149 D CB -0.463 40.126 40.800 -0.351 0.000 1.098 149 D HN 0.275 nan 8.370 nan 0.000 0.502 150 F N 0.567 120.563 119.950 0.076 0.000 2.613 150 F HA 0.372 4.899 4.527 -0.000 0.000 0.310 150 F C -0.454 175.465 175.800 0.197 0.000 1.085 150 F CA -1.410 56.654 58.000 0.107 0.000 0.945 150 F CB 1.696 40.732 39.000 0.060 0.000 1.298 150 F HN -0.114 nan 8.300 nan 0.000 0.455 151 F N 2.200 122.292 119.950 0.236 0.000 2.427 151 F HA 0.683 5.209 4.527 -0.000 0.000 0.348 151 F C -0.633 175.280 175.800 0.189 0.000 1.125 151 F CA -1.148 56.962 58.000 0.182 0.000 0.989 151 F CB 1.183 40.280 39.000 0.163 0.000 1.165 151 F HN 0.268 nan 8.300 nan 0.000 0.442 152 S N 6.730 122.429 115.700 -0.003 0.000 2.500 152 S HA 0.812 5.282 4.470 -0.000 0.000 0.301 152 S C -1.465 172.994 174.600 -0.236 0.000 1.092 152 S CA -0.288 57.775 58.200 -0.228 0.000 1.030 152 S CB 0.729 63.873 63.200 -0.093 0.000 1.031 152 S HN 0.687 nan 8.310 nan 0.000 0.483 153 Y N 0.094 120.160 120.300 -0.391 0.000 2.655 153 Y HA 0.799 5.349 4.550 -0.000 0.000 0.336 153 Y C -0.547 175.253 175.900 -0.167 0.000 1.154 153 Y CA -1.035 56.899 58.100 -0.276 0.000 1.055 153 Y CB 0.851 39.090 38.460 -0.369 0.000 1.295 153 Y HN 0.558 nan 8.280 nan 0.000 0.465 154 T N -0.375 114.237 114.554 0.098 0.000 2.908 154 T HA 0.788 5.138 4.350 -0.000 0.000 0.290 154 T C -0.983 173.796 174.700 0.133 0.000 1.034 154 T CA -1.037 61.096 62.100 0.055 0.000 1.010 154 T CB 2.175 71.086 68.868 0.071 0.000 1.068 154 T HN 0.832 nan 8.240 nan 0.000 0.481 155 R N 0.401 120.983 120.500 0.137 0.000 2.561 155 R HA 0.371 4.711 4.340 -0.000 0.000 0.297 155 R C -0.729 175.714 176.300 0.239 0.000 0.969 155 R CA -0.681 55.501 56.100 0.137 0.000 0.879 155 R CB 1.382 31.764 30.300 0.137 0.000 1.178 155 R HN 0.761 nan 8.270 nan 0.000 0.445 156 H N 2.270 121.339 119.070 -0.002 0.000 2.787 156 H HA 0.151 4.707 4.556 -0.000 0.000 0.275 156 H C -0.403 174.975 175.328 0.082 0.000 1.183 156 H CA -0.406 55.651 56.048 0.016 0.000 1.290 156 H CB 0.987 30.698 29.762 -0.085 0.000 1.438 156 H HN 0.360 nan 8.280 nan 0.000 0.487 157 E N 4.052 124.365 120.200 0.189 0.000 2.250 157 E HA 0.222 4.572 4.350 -0.000 0.000 0.269 157 E C -2.404 174.318 176.600 0.203 0.000 1.018 157 E CA -2.233 54.269 56.400 0.170 0.000 0.873 157 E CB 1.045 30.830 29.700 0.140 0.000 1.134 157 E HN 0.378 nan 8.360 nan 0.000 0.403 158 P HA -0.050 nan 4.420 nan 0.000 0.272 158 P C 0.480 177.929 177.300 0.249 0.000 1.223 158 P CA -0.064 63.222 63.100 0.310 0.000 0.784 158 P CB 0.673 32.684 31.700 0.519 0.000 0.923 159 V N 0.860 120.850 119.914 0.127 0.000 2.379 159 V HA 0.061 4.181 4.120 -0.000 0.000 0.245 159 V C 1.478 177.490 176.094 -0.137 0.000 1.044 159 V CA 2.551 64.862 62.300 0.018 0.000 1.036 159 V CB -1.402 30.413 31.823 -0.013 0.000 0.664 159 V HN 1.025 nan 8.190 nan 0.000 0.453 160 G N -0.919 107.647 108.800 -0.391 0.000 2.130 160 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.151 160 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.151 160 G C -0.569 173.906 174.900 -0.708 0.000 1.173 160 G CA -0.200 44.240 45.100 -1.098 0.000 1.278 160 G HN 0.199 nan 8.290 nan 0.000 0.479 161 V N 1.371 121.014 119.914 -0.451 0.000 2.389 161 V HA 0.417 4.537 4.120 -0.000 0.000 0.264 161 V C 0.252 176.266 176.094 -0.134 0.000 1.049 161 V CA -0.242 61.911 62.300 -0.246 0.000 0.932 161 V CB 0.386 32.090 31.823 -0.197 0.000 1.011 161 V HN 0.770 nan 8.190 nan 0.000 0.475 162 C N 5.032 124.292 119.300 -0.066 0.000 2.239 162 C HA 0.629 5.089 4.460 -0.000 0.000 0.325 162 C C 1.142 176.141 174.990 0.015 0.000 1.231 162 C CA -0.980 58.049 59.018 0.017 0.000 1.652 162 C CB 0.077 27.909 27.740 0.153 0.000 2.284 162 C HN 0.993 nan 8.230 nan 0.000 0.499 163 G N 3.486 112.294 108.800 0.014 0.000 2.349 163 G HA2 0.473 4.433 3.960 -0.000 0.000 0.281 163 G HA3 0.473 4.433 3.960 -0.000 0.000 0.281 163 G C -0.619 174.314 174.900 0.055 0.000 1.182 163 G CA -0.103 45.011 45.100 0.023 0.000 0.899 163 G HN 0.821 nan 8.290 nan 0.000 0.455 164 Q N 1.806 121.635 119.800 0.048 0.000 2.310 164 Q HA 0.420 4.760 4.340 -0.000 0.000 0.270 164 Q C -0.736 175.284 176.000 0.034 0.000 1.025 164 Q CA -0.477 55.357 55.803 0.052 0.000 0.772 164 Q CB 2.713 31.477 28.738 0.043 0.000 1.253 164 Q HN 0.534 nan 8.270 nan 0.000 0.450 165 I N 4.694 125.279 120.570 0.026 0.000 2.354 165 I HA 0.433 4.603 4.170 -0.000 0.000 0.286 165 I C -0.074 175.945 176.117 -0.164 0.000 1.007 165 I CA -0.848 60.443 61.300 -0.015 0.000 1.167 165 I CB 0.778 38.844 38.000 0.109 0.000 1.320 165 I HN 0.551 nan 8.210 nan 0.000 0.458 166 I N 5.661 126.153 120.570 -0.129 0.000 2.562 166 I HA 0.718 4.888 4.170 -0.000 0.000 0.301 166 I C -2.506 173.487 176.117 -0.205 0.000 1.003 166 I CA -2.167 59.025 61.300 -0.179 0.000 1.127 166 I CB 1.932 39.867 38.000 -0.107 0.000 1.304 166 I HN 0.240 nan 8.210 nan 0.000 0.446 167 P HA 0.089 nan 4.420 nan 0.000 0.289 167 P C -0.052 177.088 177.300 -0.267 0.000 1.299 167 P CA -0.143 62.717 63.100 -0.399 0.000 0.766 167 P CB 0.478 31.808 31.700 -0.616 0.000 1.226 168 W N 0.317 121.523 121.300 -0.157 0.000 3.114 168 W HA 0.020 4.680 4.660 -0.000 0.000 0.279 168 W C 1.035 177.418 176.519 -0.226 0.000 1.277 168 W CA 0.218 57.470 57.345 -0.156 0.000 1.630 168 W CB -1.627 27.750 29.460 -0.138 0.000 1.087 168 W HN 0.208 nan 8.180 nan 0.000 0.637 169 N N 2.341 120.737 118.700 -0.506 0.000 2.120 169 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 169 N C -0.070 175.001 175.510 -0.733 0.000 1.024 169 N CA 1.100 53.821 53.050 -0.548 0.000 0.852 169 N CB -1.226 36.830 38.487 -0.720 0.000 1.003 169 N HN 0.119 nan 8.380 nan 0.000 0.424 170 F N -0.332 119.468 119.950 -0.251 0.000 2.769 170 F HA 0.426 4.953 4.527 -0.000 0.000 0.358 170 F C -1.815 173.849 175.800 -0.226 0.000 1.285 170 F CA -2.107 55.746 58.000 -0.245 0.000 1.199 170 F CB 2.166 40.951 39.000 -0.358 0.000 1.558 170 F HN -0.164 nan 8.300 nan 0.000 0.583 171 P HA -0.227 nan 4.420 nan 0.000 0.213 171 P C 1.891 179.171 177.300 -0.033 0.000 1.176 171 P CA 1.765 64.850 63.100 -0.025 0.000 0.919 171 P CB 0.390 32.090 31.700 0.001 0.000 0.791 172 L N -2.101 119.109 121.223 -0.021 0.000 2.056 172 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 172 L C 2.452 179.275 176.870 -0.079 0.000 1.078 172 L CA 0.912 55.738 54.840 -0.023 0.000 0.749 172 L CB -0.940 41.123 42.059 0.006 0.000 0.901 172 L HN -0.015 nan 8.230 nan 0.000 0.433 173 L N -0.773 120.363 121.223 -0.144 0.000 2.056 173 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 173 L C 2.466 179.025 176.870 -0.519 0.000 1.078 173 L CA 1.760 56.388 54.840 -0.354 0.000 0.749 173 L CB -0.398 41.351 42.059 -0.517 0.000 0.901 173 L HN 0.172 nan 8.230 nan 0.000 0.433 174 M N -0.977 118.384 119.600 -0.399 0.000 2.159 174 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 174 M C 2.232 178.469 176.300 -0.105 0.000 1.063 174 M CA 1.555 56.678 55.300 -0.295 0.000 1.110 174 M CB -1.080 31.396 32.600 -0.206 0.000 1.374 174 M HN 0.515 nan 8.290 nan 0.000 0.411 175 Q N -0.038 119.709 119.800 -0.088 0.000 2.046 175 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 175 Q C 2.023 178.015 176.000 -0.012 0.000 0.975 175 Q CA 1.911 57.688 55.803 -0.043 0.000 0.836 175 Q CB -0.026 28.688 28.738 -0.040 0.000 0.896 175 Q HN 0.454 nan 8.270 nan 0.000 0.428 176 A N 0.179 123.001 122.820 0.003 0.000 1.908 176 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 176 A C 1.571 179.282 177.584 0.212 0.000 1.181 176 A CA 1.332 53.422 52.037 0.088 0.000 0.627 176 A CB -1.179 17.886 19.000 0.108 0.000 0.818 176 A HN 0.653 nan 8.150 nan 0.000 0.445 177 W N 0.230 121.517 121.300 -0.022 0.000 2.421 177 W HA -0.022 4.638 4.660 -0.000 0.000 0.270 177 W C 1.979 178.443 176.519 -0.091 0.000 1.233 177 W CA 1.228 58.562 57.345 -0.020 0.000 1.226 177 W CB -0.157 29.286 29.460 -0.029 0.000 1.121 177 W HN 0.248 nan 8.180 nan 0.000 0.579 178 K N -0.561 119.906 120.400 0.112 0.000 2.168 178 K HA 0.129 4.449 4.320 -0.000 0.000 0.201 178 K C 2.058 178.554 176.600 -0.174 0.000 1.049 178 K CA 0.496 56.774 56.287 -0.016 0.000 0.974 178 K CB -0.796 31.716 32.500 0.020 0.000 0.792 178 K HN 0.199 nan 8.250 nan 0.000 0.463 179 L N 0.361 121.510 121.223 -0.124 0.000 2.072 179 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 179 L C 2.418 179.176 176.870 -0.187 0.000 1.079 179 L CA 1.376 56.118 54.840 -0.164 0.000 0.752 179 L CB -1.038 40.942 42.059 -0.131 0.000 0.906 179 L HN 0.249 nan 8.230 nan 0.000 0.436 180 G N 1.388 110.097 108.800 -0.152 0.000 2.628 180 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 180 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 180 G C -0.524 174.060 174.900 -0.527 0.000 1.240 180 G CA 1.165 46.160 45.100 -0.176 0.000 0.792 180 G HN 0.311 nan 8.290 nan 0.000 0.593 181 P HA -0.006 nan 4.420 nan 0.000 0.217 181 P C 2.010 178.917 177.300 -0.655 0.000 1.151 181 P CA 2.011 64.565 63.100 -0.910 0.000 0.828 181 P CB -0.160 31.019 31.700 -0.869 0.000 0.788 182 A N 0.279 122.575 122.820 -0.874 0.000 1.902 182 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 182 A C 2.443 179.940 177.584 -0.146 0.000 1.181 182 A CA 1.357 52.959 52.037 -0.725 0.000 0.623 182 A CB -1.519 17.071 19.000 -0.683 0.000 0.818 182 A HN 0.128 nan 8.150 nan 0.000 0.443 183 L N -1.089 120.110 121.223 -0.040 0.000 2.131 183 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 183 L C 3.026 180.086 176.870 0.317 0.000 1.087 183 L CA 0.796 55.810 54.840 0.289 0.000 0.767 183 L CB -0.542 41.683 42.059 0.276 0.000 0.917 183 L HN 0.410 nan 8.230 nan 0.000 0.441 184 A N 0.263 123.172 122.820 0.149 0.000 2.024 184 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 184 A C 2.164 179.812 177.584 0.108 0.000 1.164 184 A CA 2.153 54.280 52.037 0.150 0.000 0.643 184 A CB -0.800 18.306 19.000 0.177 0.000 0.806 184 A HN 0.512 nan 8.150 nan 0.000 0.451 185 T N -4.477 110.128 114.554 0.084 0.000 3.122 185 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 185 T C 1.220 176.004 174.700 0.140 0.000 1.067 185 T CA 0.896 63.062 62.100 0.110 0.000 0.966 185 T CB 0.136 69.070 68.868 0.111 0.000 1.002 185 T HN 1.642 nan 8.240 nan 0.000 0.542 186 G N 1.704 110.594 108.800 0.151 0.000 2.136 186 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 186 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 186 G C -0.046 175.199 174.900 0.575 0.000 0.989 186 G CA -0.275 44.898 45.100 0.123 0.000 0.682 186 G HN 0.585 nan 8.290 nan 0.000 0.522 187 N N -0.555 118.465 118.700 0.533 0.000 2.434 187 N HA 0.574 5.314 4.740 -0.000 0.000 0.266 187 N C 0.496 176.276 175.510 0.450 0.000 1.223 187 N CA 0.462 53.770 53.050 0.431 0.000 0.972 187 N CB 1.862 40.471 38.487 0.202 0.000 1.207 187 N HN 0.672 nan 8.380 nan 0.000 0.525 188 V N -1.863 118.158 119.914 0.178 0.000 2.715 188 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 188 V C -0.097 175.971 176.094 -0.043 0.000 1.054 188 V CA -0.722 61.604 62.300 0.043 0.000 0.928 188 V CB 1.612 33.476 31.823 0.070 0.000 1.007 188 V HN 0.243 nan 8.190 nan 0.000 0.437 189 V N 3.085 122.950 119.914 -0.082 0.000 2.680 189 V HA 0.620 4.740 4.120 -0.000 0.000 0.309 189 V C -0.474 175.580 176.094 -0.067 0.000 1.052 189 V CA -0.556 61.702 62.300 -0.071 0.000 0.908 189 V CB 2.181 33.953 31.823 -0.085 0.000 1.001 189 V HN 0.799 nan 8.190 nan 0.000 0.431 190 V N 5.001 124.887 119.914 -0.048 0.000 2.357 190 V HA 0.444 4.564 4.120 -0.000 0.000 0.281 190 V C -0.234 175.853 176.094 -0.011 0.000 1.015 190 V CA -0.202 62.075 62.300 -0.038 0.000 0.827 190 V CB 1.313 33.103 31.823 -0.056 0.000 1.018 190 V HN 0.892 nan 8.190 nan 0.000 0.432 191 M N 4.665 124.264 119.600 -0.002 0.000 2.300 191 M HA 0.581 5.061 4.480 -0.000 0.000 0.348 191 M C -0.624 175.695 176.300 0.032 0.000 1.151 191 M CA -0.525 54.781 55.300 0.010 0.000 1.046 191 M CB 1.381 33.976 32.600 -0.008 0.000 1.647 191 M HN 0.361 nan 8.290 nan 0.000 0.451 192 K N 5.053 125.476 120.400 0.038 0.000 2.339 192 K HA 0.427 4.747 4.320 -0.000 0.000 0.264 192 K C -1.278 175.352 176.600 0.049 0.000 0.986 192 K CA -0.374 55.946 56.287 0.055 0.000 0.866 192 K CB 0.998 33.539 32.500 0.068 0.000 1.103 192 K HN 0.672 nan 8.250 nan 0.000 0.441 193 V N 0.689 120.645 119.914 0.069 0.000 2.973 193 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 193 V C 0.367 176.519 176.094 0.097 0.000 1.066 193 V CA -1.173 61.170 62.300 0.070 0.000 1.021 193 V CB 1.228 33.103 31.823 0.085 0.000 1.076 193 V HN 0.714 nan 8.190 nan 0.000 0.462 194 A N 2.174 125.054 122.820 0.101 0.000 2.488 194 A HA 0.260 4.580 4.320 -0.000 0.000 0.249 194 A C 1.246 178.930 177.584 0.167 0.000 1.083 194 A CA 0.373 52.500 52.037 0.150 0.000 0.768 194 A CB -0.264 18.868 19.000 0.221 0.000 1.017 194 A HN 1.160 nan 8.150 nan 0.000 0.496 195 E N 1.938 122.211 120.200 0.121 0.000 2.209 195 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 195 E C 1.017 177.734 176.600 0.194 0.000 0.993 195 E CA 1.697 58.144 56.400 0.077 0.000 0.819 195 E CB -0.213 29.427 29.700 -0.099 0.000 0.745 195 E HN 0.815 nan 8.360 nan 0.000 0.477 196 Q N 0.715 120.575 119.800 0.100 0.000 2.245 196 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 196 Q C 0.651 176.697 176.000 0.078 0.000 0.955 196 Q CA 1.617 57.434 55.803 0.023 0.000 0.870 196 Q CB 0.561 29.182 28.738 -0.196 0.000 0.945 196 Q HN 0.441 nan 8.270 nan 0.000 0.461 197 T N -3.231 111.403 114.554 0.133 0.000 3.542 197 T HA 0.308 4.658 4.350 -0.000 0.000 0.276 197 T C -2.483 172.293 174.700 0.125 0.000 1.412 197 T CA -1.321 60.845 62.100 0.111 0.000 1.664 197 T CB 1.235 70.163 68.868 0.100 0.000 0.863 197 T HN -0.038 nan 8.240 nan 0.000 0.661 198 P HA 0.237 nan 4.420 nan 0.000 0.238 198 P C 1.664 179.035 177.300 0.119 0.000 1.183 198 P CA -0.156 63.039 63.100 0.159 0.000 0.813 198 P CB 0.369 32.215 31.700 0.244 0.000 0.944 199 L N 0.628 121.903 121.223 0.087 0.000 1.990 199 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 199 L C 2.764 179.702 176.870 0.114 0.000 1.072 199 L CA 2.821 57.705 54.840 0.074 0.000 0.755 199 L CB -2.172 39.903 42.059 0.026 0.000 0.889 199 L HN 0.119 nan 8.230 nan 0.000 0.432 200 T N -2.205 112.404 114.554 0.091 0.000 2.746 200 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 200 T C 1.977 176.769 174.700 0.153 0.000 1.039 200 T CA 0.957 63.131 62.100 0.124 0.000 1.142 200 T CB -0.444 68.465 68.868 0.068 0.000 0.866 200 T HN 0.335 nan 8.240 nan 0.000 0.444 201 A N 1.686 124.568 122.820 0.103 0.000 1.933 201 A HA 0.170 4.489 4.320 -0.000 0.000 0.218 201 A C 2.442 180.071 177.584 0.076 0.000 1.175 201 A CA 1.244 53.321 52.037 0.067 0.000 0.628 201 A CB -0.889 18.140 19.000 0.047 0.000 0.814 201 A HN 0.544 nan 8.150 nan 0.000 0.444 202 L N -2.324 118.990 121.223 0.151 0.000 2.093 202 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 202 L C 2.569 179.605 176.870 0.277 0.000 1.085 202 L CA 1.526 56.518 54.840 0.253 0.000 0.755 202 L CB -0.594 41.630 42.059 0.276 0.000 0.904 202 L HN 0.563 nan 8.230 nan 0.000 0.435 203 Y N 0.149 120.529 120.300 0.134 0.000 2.242 203 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 203 Y C 2.385 178.342 175.900 0.094 0.000 1.137 203 Y CA 1.199 59.391 58.100 0.153 0.000 1.181 203 Y CB -0.207 38.397 38.460 0.240 0.000 0.989 203 Y HN -0.177 nan 8.280 nan 0.000 0.527 204 V N 0.300 120.242 119.914 0.047 0.000 2.392 204 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 204 V C 2.633 178.576 176.094 -0.252 0.000 1.059 204 V CA 1.794 64.045 62.300 -0.082 0.000 1.051 204 V CB -1.442 30.367 31.823 -0.023 0.000 0.658 204 V HN 0.568 nan 8.190 nan 0.000 0.455 205 A N 0.033 122.637 122.820 -0.361 0.000 1.940 205 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 205 A C 2.035 179.162 177.584 -0.761 0.000 1.176 205 A CA 2.307 53.813 52.037 -0.886 0.000 0.631 205 A CB -0.793 17.274 19.000 -1.554 0.000 0.814 205 A HN 0.603 nan 8.150 nan 0.000 0.446 206 N N -0.172 118.350 118.700 -0.297 0.000 2.188 206 N HA -0.036 4.704 4.740 -0.000 0.000 0.184 206 N C 1.496 176.908 175.510 -0.163 0.000 1.018 206 N CA 1.180 54.195 53.050 -0.058 0.000 0.858 206 N CB -0.305 38.153 38.487 -0.048 0.000 0.989 206 N HN 0.498 nan 8.380 nan 0.000 0.426 207 L N -0.162 120.895 121.223 -0.276 0.000 2.156 207 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 207 L C 1.935 178.778 176.870 -0.045 0.000 1.095 207 L CA 0.575 55.318 54.840 -0.163 0.000 0.770 207 L CB -0.277 41.691 42.059 -0.151 0.000 0.914 207 L HN 0.227 nan 8.230 nan 0.000 0.439 208 I N 0.135 120.648 120.570 -0.096 0.000 2.315 208 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 208 I C 2.713 178.923 176.117 0.156 0.000 1.117 208 I CA 1.304 62.591 61.300 -0.023 0.000 1.404 208 I CB -0.228 37.613 38.000 -0.264 0.000 1.071 208 I HN 0.268 nan 8.210 nan 0.000 0.419 209 K N 1.235 121.708 120.400 0.123 0.000 2.025 209 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 209 K C 2.100 178.771 176.600 0.118 0.000 1.049 209 K CA 1.676 58.065 56.287 0.170 0.000 0.933 209 K CB -0.104 32.522 32.500 0.209 0.000 0.714 209 K HN 0.234 nan 8.250 nan 0.000 0.438 210 E N -0.137 120.109 120.200 0.076 0.000 2.153 210 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 210 E C 1.681 178.322 176.600 0.068 0.000 0.988 210 E CA 0.908 57.340 56.400 0.053 0.000 0.811 210 E CB -0.083 29.625 29.700 0.012 0.000 0.746 210 E HN 0.456 nan 8.360 nan 0.000 0.466 211 A N 0.039 122.925 122.820 0.110 0.000 1.969 211 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 211 A C 1.932 179.545 177.584 0.049 0.000 1.169 211 A CA 1.615 53.721 52.037 0.115 0.000 0.635 211 A CB -0.420 18.731 19.000 0.251 0.000 0.810 211 A HN 0.525 nan 8.150 nan 0.000 0.445 212 G N -3.188 105.667 108.800 0.091 0.000 2.205 212 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.180 212 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.180 212 G C -0.008 174.904 174.900 0.021 0.000 1.004 212 G CA -0.232 44.888 45.100 0.034 0.000 0.670 212 G HN 0.265 nan 8.290 nan 0.000 0.496 213 F N 1.997 121.953 119.950 0.010 0.000 2.572 213 F HA 0.402 4.928 4.527 -0.000 0.000 0.370 213 F C -1.202 174.565 175.800 -0.056 0.000 1.103 213 F CA -1.244 56.726 58.000 -0.050 0.000 1.286 213 F CB 0.376 39.281 39.000 -0.158 0.000 1.105 213 F HN -0.100 nan 8.300 nan 0.000 0.583 214 P HA 0.049 nan 4.420 nan 0.000 0.267 214 P C -2.520 174.774 177.300 -0.010 0.000 1.200 214 P CA -0.814 62.324 63.100 0.062 0.000 0.772 214 P CB 0.066 31.834 31.700 0.114 0.000 0.855 215 P HA 0.035 nan 4.420 nan 0.000 0.265 215 P C 0.994 178.233 177.300 -0.101 0.000 1.193 215 P CA 1.365 64.414 63.100 -0.086 0.000 0.765 215 P CB 0.104 31.759 31.700 -0.075 0.000 0.823 216 G N 1.322 110.031 108.800 -0.151 0.000 2.199 216 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 216 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 216 G C 1.001 175.813 174.900 -0.147 0.000 0.982 216 G CA 0.249 45.269 45.100 -0.133 0.000 0.632 216 G HN 0.406 nan 8.290 nan 0.000 0.529 217 V N -0.188 119.594 119.914 -0.220 0.000 2.358 217 V HA 0.095 4.215 4.120 -0.000 0.000 0.246 217 V C 1.413 177.333 176.094 -0.291 0.000 1.047 217 V CA 1.975 64.041 62.300 -0.389 0.000 1.035 217 V CB 0.181 31.543 31.823 -0.768 0.000 0.658 217 V HN 0.399 nan 8.190 nan 0.000 0.452 218 V N 1.577 121.363 119.914 -0.213 0.000 2.483 218 V HA 0.472 4.592 4.120 -0.000 0.000 0.297 218 V C -0.817 175.288 176.094 0.018 0.000 1.027 218 V CA -0.788 61.430 62.300 -0.137 0.000 0.855 218 V CB 1.711 33.402 31.823 -0.220 0.000 0.995 218 V HN 0.413 nan 8.190 nan 0.000 0.424 219 N N 5.310 124.013 118.700 0.005 0.000 2.314 219 N HA 0.636 5.376 4.740 -0.000 0.000 0.294 219 N C -1.235 174.322 175.510 0.078 0.000 1.029 219 N CA -0.415 52.664 53.050 0.047 0.000 0.845 219 N CB 3.029 41.482 38.487 -0.057 0.000 1.321 219 N HN 0.505 nan 8.380 nan 0.000 0.481 220 I N 1.692 122.359 120.570 0.162 0.000 2.406 220 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 220 I C -0.391 175.804 176.117 0.130 0.000 0.999 220 I CA -0.961 60.406 61.300 0.113 0.000 1.124 220 I CB 2.073 40.124 38.000 0.085 0.000 1.289 220 I HN 0.061 nan 8.210 nan 0.000 0.441 221 V N 8.045 128.016 119.914 0.095 0.000 2.284 221 V HA 0.285 4.405 4.120 -0.000 0.000 0.274 221 V C -2.072 174.088 176.094 0.110 0.000 1.023 221 V CA -1.541 60.816 62.300 0.096 0.000 0.808 221 V CB 1.002 32.858 31.823 0.055 0.000 1.035 221 V HN 0.570 nan 8.190 nan 0.000 0.445 222 P HA 0.563 nan 4.420 nan 0.000 0.274 222 P C 0.254 177.648 177.300 0.156 0.000 1.237 222 P CA 0.529 63.750 63.100 0.201 0.000 0.793 222 P CB 2.172 34.041 31.700 0.281 0.000 0.977 223 G N 0.450 109.267 108.800 0.029 0.000 2.404 223 G HA2 0.299 4.259 3.960 -0.000 0.000 0.253 223 G HA3 0.299 4.259 3.960 -0.000 0.000 0.253 223 G C -1.723 172.902 174.900 -0.458 0.000 1.253 223 G CA -0.766 44.116 45.100 -0.364 0.000 0.917 223 G HN 0.347 nan 8.290 nan 0.000 0.480 224 F N 0.662 120.520 119.950 -0.155 0.000 2.483 224 F HA 0.548 5.075 4.527 -0.000 0.000 0.329 224 F C 1.694 177.471 175.800 -0.039 0.000 1.064 224 F CA -0.401 57.514 58.000 -0.141 0.000 0.986 224 F CB 2.123 41.039 39.000 -0.139 0.000 1.218 224 F HN 0.689 nan 8.300 nan 0.000 0.484 225 G N 0.999 109.921 108.800 0.202 0.000 2.484 225 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 225 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 225 G C -0.989 173.979 174.900 0.113 0.000 1.219 225 G CA 0.753 45.943 45.100 0.150 0.000 0.791 225 G HN 0.451 nan 8.290 nan 0.000 0.550 226 P HA -0.050 nan 4.420 nan 0.000 0.223 226 P C 1.845 179.187 177.300 0.071 0.000 1.144 226 P CA 2.058 65.194 63.100 0.060 0.000 0.783 226 P CB -0.037 31.688 31.700 0.042 0.000 0.771 227 T N -3.828 110.788 114.554 0.105 0.000 3.401 227 T HA 0.276 4.626 4.350 -0.000 0.000 0.225 227 T C 1.948 176.686 174.700 0.063 0.000 0.961 227 T CA 0.574 62.725 62.100 0.085 0.000 1.429 227 T CB -1.155 67.776 68.868 0.104 0.000 1.213 227 T HN -0.099 nan 8.240 nan 0.000 0.440 228 A N 1.751 124.603 122.820 0.054 0.000 1.877 228 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 228 A C 2.657 180.281 177.584 0.068 0.000 1.186 228 A CA 2.065 54.130 52.037 0.047 0.000 0.620 228 A CB -1.787 17.227 19.000 0.024 0.000 0.822 228 A HN 0.725 nan 8.150 nan 0.000 0.443 229 G N -0.568 108.285 108.800 0.088 0.000 2.446 229 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.217 229 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.217 229 G C 1.761 176.713 174.900 0.086 0.000 1.168 229 G CA 1.575 46.742 45.100 0.111 0.000 0.771 229 G HN 0.840 nan 8.290 nan 0.000 0.551 230 A N 1.102 123.960 122.820 0.062 0.000 1.933 230 A HA 0.283 4.603 4.320 -0.000 0.000 0.218 230 A C 2.811 180.418 177.584 0.039 0.000 1.175 230 A CA 2.191 54.248 52.037 0.034 0.000 0.628 230 A CB -0.743 18.271 19.000 0.022 0.000 0.814 230 A HN 0.800 nan 8.150 nan 0.000 0.444 231 A N 0.067 122.917 122.820 0.050 0.000 1.902 231 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 231 A C 2.118 179.759 177.584 0.095 0.000 1.181 231 A CA 1.542 53.614 52.037 0.058 0.000 0.623 231 A CB -0.592 18.444 19.000 0.060 0.000 0.818 231 A HN 0.512 nan 8.150 nan 0.000 0.443 232 I N -0.336 120.288 120.570 0.089 0.000 2.142 232 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 232 I C 2.967 179.137 176.117 0.088 0.000 1.078 232 I CA 1.165 62.519 61.300 0.090 0.000 1.343 232 I CB -0.427 37.615 38.000 0.071 0.000 1.046 232 I HN 0.355 nan 8.210 nan 0.000 0.405 233 A N 0.599 123.460 122.820 0.068 0.000 1.972 233 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 233 A C 2.395 180.003 177.584 0.039 0.000 1.169 233 A CA 2.126 54.191 52.037 0.046 0.000 0.635 233 A CB -0.602 18.411 19.000 0.021 0.000 0.810 233 A HN 0.554 nan 8.150 nan 0.000 0.446 234 S N -1.747 113.979 115.700 0.043 0.000 2.503 234 S HA 0.041 4.511 4.470 -0.000 0.000 0.217 234 S C 0.841 175.462 174.600 0.035 0.000 0.999 234 S CA -0.246 57.967 58.200 0.023 0.000 0.914 234 S CB -0.532 62.667 63.200 -0.002 0.000 0.782 234 S HN 0.587 nan 8.310 nan 0.000 0.520 235 H N 2.751 121.818 119.070 -0.005 0.000 3.034 235 H HA 0.121 4.677 4.556 -0.000 0.000 0.324 235 H C 0.885 176.207 175.328 -0.009 0.000 1.015 235 H CA 0.891 56.935 56.048 -0.006 0.000 1.429 235 H CB 0.505 30.264 29.762 -0.006 0.000 1.429 235 H HN 0.467 nan 8.280 nan 0.000 0.585 236 E N 2.709 122.980 120.200 0.119 0.000 2.274 236 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 236 E C 0.569 177.296 176.600 0.211 0.000 0.996 236 E CA 0.771 57.248 56.400 0.128 0.000 0.840 236 E CB 0.316 30.028 29.700 0.021 0.000 0.772 236 E HN 0.559 nan 8.360 nan 0.000 0.491 237 D N -0.126 120.534 120.400 0.433 0.000 2.340 237 D HA 0.019 4.659 4.640 -0.000 0.000 0.217 237 D C -0.572 175.708 176.300 -0.034 0.000 1.081 237 D CA 0.022 54.096 54.000 0.123 0.000 0.842 237 D CB 0.614 41.462 40.800 0.080 0.000 0.934 237 D HN -0.183 nan 8.370 nan 0.000 0.511 238 V N 1.679 121.588 119.914 -0.010 0.000 2.406 238 V HA 0.101 4.221 4.120 -0.000 0.000 0.272 238 V C 0.991 177.063 176.094 -0.036 0.000 1.043 238 V CA -0.319 61.943 62.300 -0.063 0.000 0.915 238 V CB 1.656 33.460 31.823 -0.032 0.000 0.988 238 V HN 0.086 nan 8.190 nan 0.000 0.466 239 D N 3.252 123.610 120.400 -0.070 0.000 2.213 239 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 239 D C 0.762 177.029 176.300 -0.055 0.000 0.961 239 D CA 0.964 54.926 54.000 -0.063 0.000 0.853 239 D CB 0.759 41.499 40.800 -0.100 0.000 0.967 239 D HN 0.487 nan 8.370 nan 0.000 0.496 240 K N 0.532 120.900 120.400 -0.054 0.000 2.523 240 K HA 0.402 4.722 4.320 -0.000 0.000 0.257 240 K C -1.880 174.706 176.600 -0.023 0.000 0.932 240 K CA -0.486 55.767 56.287 -0.055 0.000 0.812 240 K CB 2.784 35.225 32.500 -0.098 0.000 1.326 240 K HN -0.307 nan 8.250 nan 0.000 0.433 241 V N 2.252 122.157 119.914 -0.014 0.000 2.483 241 V HA 0.648 4.768 4.120 -0.000 0.000 0.297 241 V C -0.818 175.300 176.094 0.041 0.000 1.027 241 V CA -0.819 61.497 62.300 0.028 0.000 0.855 241 V CB 1.402 33.248 31.823 0.039 0.000 0.995 241 V HN 0.863 nan 8.190 nan 0.000 0.424 242 A N 5.208 128.073 122.820 0.075 0.000 2.285 242 A HA 0.798 5.118 4.320 -0.000 0.000 0.310 242 A C -1.162 176.506 177.584 0.140 0.000 1.266 242 A CA -0.356 51.734 52.037 0.089 0.000 0.832 242 A CB 0.542 19.593 19.000 0.086 0.000 1.163 242 A HN 0.738 nan 8.150 nan 0.000 0.499 243 F N 2.682 122.641 119.950 0.014 0.000 2.443 243 F HA 0.716 5.243 4.527 -0.000 0.000 0.335 243 F C 0.261 176.072 175.800 0.018 0.000 1.104 243 F CA 0.377 58.386 58.000 0.014 0.000 1.013 243 F CB 1.858 40.862 39.000 0.006 0.000 1.136 243 F HN 0.535 nan 8.300 nan 0.000 0.470 265 V N 2.723 122.612 119.914 -0.041 0.000 2.680 265 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 265 V C -0.267 175.812 176.094 -0.025 0.000 1.052 265 V CA -0.598 61.687 62.300 -0.026 0.000 0.908 265 V CB 2.092 33.904 31.823 -0.018 0.000 1.001 265 V HN 0.861 nan 8.190 nan 0.000 0.431 266 T N 2.338 116.890 114.554 -0.002 0.000 3.011 266 T HA 0.707 5.057 4.350 -0.000 0.000 0.303 266 T C -1.111 173.631 174.700 0.070 0.000 0.997 266 T CA -0.561 61.543 62.100 0.007 0.000 1.007 266 T CB 1.017 69.871 68.868 -0.025 0.000 1.017 266 T HN 0.372 nan 8.240 nan 0.000 0.443 267 L N 2.941 124.207 121.223 0.073 0.000 2.280 267 L HA 0.510 4.850 4.340 -0.000 0.000 0.287 267 L C -0.022 176.921 176.870 0.122 0.000 1.023 267 L CA -0.739 54.189 54.840 0.148 0.000 0.819 267 L CB 1.452 43.570 42.059 0.098 0.000 1.212 267 L HN 0.743 nan 8.230 nan 0.000 0.420 268 E N 5.488 125.779 120.200 0.151 0.000 2.070 268 E HA 0.495 4.845 4.350 -0.000 0.000 0.261 268 E C -0.999 175.673 176.600 0.119 0.000 0.926 268 E CA -0.216 56.242 56.400 0.097 0.000 0.760 268 E CB 1.166 30.919 29.700 0.088 0.000 1.133 268 E HN 0.433 nan 8.360 nan 0.000 0.420 269 L N 1.340 122.632 121.223 0.116 0.000 2.319 269 L HA 0.824 5.164 4.340 -0.000 0.000 0.267 269 L C 0.529 177.487 176.870 0.146 0.000 1.011 269 L CA -1.147 53.780 54.840 0.145 0.000 0.818 269 L CB 1.835 43.982 42.059 0.146 0.000 1.316 269 L HN 0.474 nan 8.230 nan 0.000 0.432 270 G N -0.725 108.208 108.800 0.222 0.000 2.619 270 G HA2 0.785 4.745 3.960 -0.000 0.000 0.296 270 G HA3 0.785 4.745 3.960 -0.000 0.000 0.296 270 G C -1.133 173.894 174.900 0.211 0.000 1.334 270 G CA -0.620 44.621 45.100 0.235 0.000 0.934 270 G HN 0.902 nan 8.290 nan 0.000 0.476 271 G N -0.381 108.491 108.800 0.119 0.000 2.380 271 G HA2 0.497 4.456 3.960 -0.000 0.000 0.305 271 G HA3 0.497 4.456 3.960 -0.000 0.000 0.305 271 G C -0.325 174.584 174.900 0.016 0.000 1.672 271 G CA -0.359 44.743 45.100 0.002 0.000 0.904 271 G HN 1.165 nan 8.290 nan 0.000 0.686 272 K N -0.271 120.115 120.400 -0.024 0.000 3.077 272 K HA -0.147 4.173 4.320 -0.000 0.000 0.264 272 K C 0.724 177.384 176.600 0.101 0.000 1.008 272 K CA 1.012 57.315 56.287 0.027 0.000 0.740 272 K CB -1.647 30.871 32.500 0.030 0.000 1.273 272 K HN 0.843 nan 8.250 nan 0.000 0.477 273 S N 2.093 117.881 115.700 0.146 0.000 2.516 273 S HA 0.183 4.653 4.470 -0.000 0.000 0.282 273 S C -2.019 172.737 174.600 0.259 0.000 1.286 273 S CA -0.734 57.603 58.200 0.228 0.000 1.066 273 S CB 0.729 64.144 63.200 0.359 0.000 0.884 273 S HN 0.186 nan 8.310 nan 0.000 0.491 274 P HA 0.180 nan 4.420 nan 0.000 0.292 274 P C -1.125 176.381 177.300 0.344 0.000 1.287 274 P CA -0.607 62.690 63.100 0.328 0.000 0.800 274 P CB 0.484 32.334 31.700 0.250 0.000 0.945 275 N N 3.941 122.845 118.700 0.341 0.000 2.511 275 N HA 0.308 5.048 4.740 -0.000 0.000 0.249 275 N C -0.628 175.066 175.510 0.306 0.000 0.971 275 N CA -0.647 52.601 53.050 0.330 0.000 0.938 275 N CB 0.454 39.031 38.487 0.149 0.000 1.131 275 N HN 0.322 nan 8.380 nan 0.000 0.505 276 I N 4.722 125.464 120.570 0.288 0.000 2.312 276 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 276 I C -0.167 176.125 176.117 0.292 0.000 1.031 276 I CA -0.656 60.775 61.300 0.218 0.000 1.293 276 I CB 0.953 38.964 38.000 0.018 0.000 1.403 276 I HN 0.393 nan 8.210 nan 0.000 0.484 277 I N 7.133 127.857 120.570 0.256 0.000 2.328 277 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 277 I C 0.165 176.430 176.117 0.247 0.000 1.012 277 I CA -0.607 60.781 61.300 0.147 0.000 1.195 277 I CB 0.851 38.683 38.000 -0.280 0.000 1.350 277 I HN 0.463 nan 8.210 nan 0.000 0.464 278 M N 3.792 123.552 119.600 0.267 0.000 2.247 278 M HA 0.164 4.644 4.480 -0.000 0.000 0.326 278 M C 1.705 178.076 176.300 0.118 0.000 1.134 278 M CA -0.071 55.371 55.300 0.237 0.000 1.136 278 M CB 0.863 33.595 32.600 0.220 0.000 1.454 278 M HN 0.684 nan 8.290 nan 0.000 0.467 279 S N 0.676 116.413 115.700 0.062 0.000 2.419 279 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 279 S C 0.813 175.453 174.600 0.066 0.000 1.019 279 S CA 1.545 59.766 58.200 0.034 0.000 0.982 279 S CB -0.548 62.655 63.200 0.005 0.000 0.789 279 S HN 0.749 nan 8.310 nan 0.000 0.490 280 D N 1.823 122.275 120.400 0.086 0.000 2.328 280 D HA 0.391 5.031 4.640 -0.000 0.000 0.221 280 D C 0.592 176.966 176.300 0.123 0.000 1.072 280 D CA 0.231 54.285 54.000 0.091 0.000 0.850 280 D CB -0.394 40.453 40.800 0.077 0.000 0.922 280 D HN 0.552 nan 8.370 nan 0.000 0.516 281 A N 0.512 123.425 122.820 0.156 0.000 2.366 281 A HA 0.148 4.468 4.320 -0.000 0.000 0.249 281 A C 0.312 178.025 177.584 0.215 0.000 1.084 281 A CA -0.410 51.761 52.037 0.222 0.000 0.794 281 A CB 0.255 19.423 19.000 0.280 0.000 1.034 281 A HN 0.166 nan 8.150 nan 0.000 0.491 282 D N 1.889 122.452 120.400 0.273 0.000 2.346 282 D HA 0.085 4.725 4.640 -0.000 0.000 0.260 282 D C 1.083 177.547 176.300 0.272 0.000 1.252 282 D CA -0.234 53.915 54.000 0.248 0.000 0.895 282 D CB 0.581 41.544 40.800 0.272 0.000 1.097 282 D HN 0.463 nan 8.370 nan 0.000 0.489 283 M N 4.460 124.181 119.600 0.203 0.000 2.082 283 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 283 M C 1.222 177.637 176.300 0.192 0.000 1.071 283 M CA 1.752 57.169 55.300 0.196 0.000 1.103 283 M CB -0.444 32.243 32.600 0.146 0.000 1.307 283 M HN 0.379 nan 8.290 nan 0.000 0.409 284 D N -1.029 119.476 120.400 0.176 0.000 2.106 284 D HA -0.275 4.365 4.640 -0.000 0.000 0.191 284 D C 1.932 178.375 176.300 0.239 0.000 0.997 284 D CA 1.705 55.804 54.000 0.165 0.000 0.834 284 D CB -0.743 40.151 40.800 0.157 0.000 0.956 284 D HN 0.666 nan 8.370 nan 0.000 0.448 285 W N 1.631 122.985 121.300 0.090 0.000 2.355 285 W HA -0.170 4.490 4.660 -0.000 0.000 0.309 285 W C 2.312 178.896 176.519 0.108 0.000 1.206 285 W CA 1.457 58.876 57.345 0.124 0.000 1.284 285 W CB -0.020 29.547 29.460 0.178 0.000 1.145 285 W HN -0.050 nan 8.180 nan 0.000 0.502 286 A N 0.246 123.153 122.820 0.145 0.000 1.933 286 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 286 A C 1.994 179.518 177.584 -0.100 0.000 1.175 286 A CA 2.197 54.097 52.037 -0.229 0.000 0.628 286 A CB -1.120 17.862 19.000 -0.031 0.000 0.814 286 A HN 0.167 nan 8.150 nan 0.000 0.444 287 V N 0.179 120.135 119.914 0.070 0.000 2.270 287 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 287 V C 2.418 178.457 176.094 -0.092 0.000 1.043 287 V CA 2.211 64.466 62.300 -0.075 0.000 1.014 287 V CB -0.930 30.778 31.823 -0.191 0.000 0.645 287 V HN 0.628 nan 8.190 nan 0.000 0.447 288 E N -0.278 119.872 120.200 -0.084 0.000 2.085 288 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 288 E C 2.359 178.924 176.600 -0.059 0.000 0.994 288 E CA 1.226 57.591 56.400 -0.058 0.000 0.801 288 E CB -0.186 29.476 29.700 -0.064 0.000 0.743 288 E HN 0.545 nan 8.360 nan 0.000 0.453 289 Q N 0.083 119.722 119.800 -0.269 0.000 2.119 289 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 289 Q C 2.155 178.092 176.000 -0.105 0.000 0.972 289 Q CA 1.256 56.908 55.803 -0.252 0.000 0.847 289 Q CB -0.341 28.139 28.738 -0.430 0.000 0.903 289 Q HN 0.255 nan 8.270 nan 0.000 0.433 290 A N 0.191 122.919 122.820 -0.153 0.000 1.930 290 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 290 A C 1.955 179.570 177.584 0.051 0.000 1.175 290 A CA 1.847 53.845 52.037 -0.065 0.000 0.627 290 A CB -0.723 18.371 19.000 0.156 0.000 0.815 290 A HN 0.459 nan 8.150 nan 0.000 0.443 291 H N -1.331 117.774 119.070 0.059 0.000 2.293 291 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 291 H C 1.709 177.229 175.328 0.319 0.000 1.082 291 H CA 2.233 58.430 56.048 0.249 0.000 1.308 291 H CB -0.519 29.324 29.762 0.134 0.000 1.375 291 H HN 0.453 nan 8.280 nan 0.000 0.495 292 F N 0.808 120.798 119.950 0.067 0.000 2.134 292 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 292 F C 2.533 178.330 175.800 -0.005 0.000 1.097 292 F CA 1.588 59.605 58.000 0.029 0.000 1.264 292 F CB -0.732 38.263 39.000 -0.008 0.000 1.001 292 F HN 0.294 nan 8.300 nan 0.000 0.479 293 A N 0.185 122.923 122.820 -0.136 0.000 1.986 293 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 293 A C 2.146 179.504 177.584 -0.377 0.000 1.171 293 A CA 2.148 53.897 52.037 -0.481 0.000 0.640 293 A CB -0.980 17.434 19.000 -0.976 0.000 0.811 293 A HN 0.618 nan 8.150 nan 0.000 0.451 294 L N -3.226 117.804 121.223 -0.323 0.000 2.349 294 L HA 0.298 4.638 4.340 -0.000 0.000 0.200 294 L C 1.960 178.577 176.870 -0.421 0.000 1.064 294 L CA 0.662 55.269 54.840 -0.388 0.000 0.821 294 L CB 0.035 41.767 42.059 -0.544 0.000 1.027 294 L HN 0.281 nan 8.230 nan 0.000 0.476 295 F N -0.618 119.201 119.950 -0.218 0.000 2.558 295 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 295 F C 0.971 176.677 175.800 -0.156 0.000 1.119 295 F CA 0.037 57.909 58.000 -0.214 0.000 1.451 295 F CB -0.340 38.420 39.000 -0.400 0.000 1.091 295 F HN -0.053 nan 8.300 nan 0.000 0.563 296 F N 2.342 122.158 119.950 -0.224 0.000 2.623 296 F HA -0.045 4.481 4.527 -0.000 0.000 0.383 296 F C 1.161 176.916 175.800 -0.075 0.000 1.077 296 F CA -0.092 57.754 58.000 -0.256 0.000 1.268 296 F CB 0.035 38.608 39.000 -0.712 0.000 1.053 296 F HN 0.129 nan 8.300 nan 0.000 0.571 297 N N 3.616 121.781 118.700 -0.892 0.000 2.738 297 N HA -0.295 4.445 4.740 -0.000 0.000 0.249 297 N C -0.070 175.251 175.510 -0.314 0.000 1.047 297 N CA 1.319 53.938 53.050 -0.718 0.000 0.707 297 N CB -1.048 36.914 38.487 -0.876 0.000 0.937 297 N HN 0.788 nan 8.380 nan 0.000 0.545 298 Q N -1.983 117.716 119.800 -0.168 0.000 2.480 298 Q HA -0.173 4.167 4.340 -0.000 0.000 0.265 298 Q C 1.239 177.241 176.000 0.003 0.000 1.072 298 Q CA 2.214 57.993 55.803 -0.040 0.000 1.018 298 Q CB -1.869 26.834 28.738 -0.058 0.000 1.433 298 Q HN 1.226 nan 8.270 nan 0.000 0.513 299 G N -1.068 107.720 108.800 -0.020 0.000 2.189 299 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.267 299 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.267 299 G C 0.110 175.071 174.900 0.102 0.000 0.975 299 G CA 0.494 45.589 45.100 -0.009 0.000 0.644 299 G HN 0.474 nan 8.290 nan 0.000 0.537 300 Q N -0.030 119.820 119.800 0.083 0.000 3.181 300 Q HA 0.487 4.827 4.340 -0.000 0.000 0.293 300 Q C 0.050 176.108 176.000 0.098 0.000 1.406 300 Q CA 0.006 55.893 55.803 0.140 0.000 1.026 300 Q CB 0.604 29.403 28.738 0.102 0.000 1.630 300 Q HN 0.419 nan 8.270 nan 0.000 0.553 301 C N 0.083 119.583 119.300 0.334 0.000 2.535 301 C HA 0.325 4.785 4.460 -0.000 0.000 0.319 301 C C 1.956 177.252 174.990 0.510 0.000 1.171 301 C CA -0.748 58.524 59.018 0.423 0.000 1.394 301 C CB 0.369 28.391 27.740 0.471 0.000 1.990 301 C HN 0.981 nan 8.230 nan 0.000 0.466 302 C N 1.818 121.388 119.300 0.449 0.000 2.410 302 C HA -0.035 4.425 4.460 -0.000 0.000 0.281 302 C C 1.748 177.022 174.990 0.473 0.000 1.318 302 C CA 1.348 60.675 59.018 0.515 0.000 1.776 302 C CB -2.500 25.460 27.740 0.367 0.000 1.942 302 C HN 1.040 nan 8.230 nan 0.000 0.508 303 C N 0.904 120.514 119.300 0.516 0.000 2.548 303 C HA 0.772 5.232 4.460 -0.000 0.000 0.297 303 C C 1.130 176.448 174.990 0.546 0.000 1.422 303 C CA -0.809 58.538 59.018 0.547 0.000 1.785 303 C CB -2.328 25.870 27.740 0.764 0.000 2.593 303 C HN 0.738 nan 8.230 nan 0.000 0.545 304 A N 0.954 124.002 122.820 0.379 0.000 2.511 304 A HA 0.487 4.807 4.320 -0.000 0.000 0.242 304 A C 1.119 178.818 177.584 0.190 0.000 1.069 304 A CA 0.770 52.957 52.037 0.251 0.000 0.763 304 A CB -0.041 19.019 19.000 0.100 0.000 1.001 304 A HN 1.228 nan 8.150 nan 0.000 0.498 305 G N 1.682 110.502 108.800 0.034 0.000 3.008 305 G HA2 0.321 4.281 3.960 -0.000 0.000 0.272 305 G HA3 0.321 4.281 3.960 -0.000 0.000 0.272 305 G C 0.907 175.763 174.900 -0.074 0.000 0.764 305 G CA 0.396 45.465 45.100 -0.052 0.000 2.029 305 G HN 1.177 nan 8.290 nan 0.000 0.587 306 S N 0.648 116.334 115.700 -0.022 0.000 2.650 306 S HA 0.164 4.634 4.470 -0.000 0.000 0.219 306 S C 0.951 175.535 174.600 -0.028 0.000 0.960 306 S CA -0.244 57.920 58.200 -0.059 0.000 0.925 306 S CB 0.320 63.470 63.200 -0.084 0.000 0.775 306 S HN 0.407 nan 8.310 nan 0.000 0.525 307 R N 1.402 121.906 120.500 0.007 0.000 2.576 307 R HA 0.277 4.617 4.340 -0.000 0.000 0.283 307 R C -1.318 174.976 176.300 -0.011 0.000 1.493 307 R CA -0.070 56.002 56.100 -0.046 0.000 1.170 307 R CB 1.390 31.717 30.300 0.044 0.000 1.189 307 R HN 0.129 nan 8.270 nan 0.000 0.542 308 T N 3.848 118.365 114.554 -0.061 0.000 2.794 308 T HA 0.275 4.625 4.350 -0.000 0.000 0.304 308 T C -0.243 174.456 174.700 -0.002 0.000 0.973 308 T CA -0.054 62.065 62.100 0.031 0.000 0.972 308 T CB -0.070 68.845 68.868 0.079 0.000 0.952 308 T HN 0.151 nan 8.240 nan 0.000 0.509 309 F N 2.709 122.720 119.950 0.101 0.000 2.424 309 F HA 0.442 4.969 4.527 -0.000 0.000 0.356 309 F C 0.345 176.354 175.800 0.349 0.000 1.110 309 F CA -0.752 57.384 58.000 0.226 0.000 1.161 309 F CB 0.859 39.888 39.000 0.048 0.000 1.115 309 F HN 0.188 nan 8.300 nan 0.000 0.507 310 V N 3.595 123.803 119.914 0.490 0.000 2.540 310 V HA 0.283 4.403 4.120 -0.000 0.000 0.302 310 V C -0.188 175.786 176.094 -0.200 0.000 1.035 310 V CA -1.192 61.180 62.300 0.121 0.000 0.873 310 V CB 1.542 33.252 31.823 -0.188 0.000 0.992 310 V HN 0.662 nan 8.190 nan 0.000 0.428 311 Q N 2.684 122.097 119.800 -0.646 0.000 2.311 311 Q HA 0.045 4.385 4.340 -0.000 0.000 0.272 311 Q C 1.496 177.277 176.000 -0.365 0.000 1.012 311 Q CA 0.329 55.512 55.803 -1.033 0.000 0.891 311 Q CB 0.821 29.166 28.738 -0.654 0.000 1.201 311 Q HN 0.923 nan 8.270 nan 0.000 0.391 312 E N 2.887 122.904 120.200 -0.305 0.000 2.136 312 E HA -0.372 3.978 4.350 -0.000 0.000 0.208 312 E C 0.382 176.967 176.600 -0.025 0.000 1.035 312 E CA 1.880 58.215 56.400 -0.109 0.000 0.838 312 E CB -0.173 29.452 29.700 -0.124 0.000 0.748 312 E HN 0.685 nan 8.360 nan 0.000 0.459 313 D N 0.885 121.254 120.400 -0.051 0.000 2.265 313 D HA -0.114 4.525 4.640 -0.000 0.000 0.208 313 D C 1.995 178.314 176.300 0.032 0.000 0.977 313 D CA 1.570 55.566 54.000 -0.007 0.000 0.871 313 D CB -0.026 40.765 40.800 -0.015 0.000 0.925 313 D HN 0.647 nan 8.370 nan 0.000 0.485 314 I N -4.011 116.583 120.570 0.040 0.000 4.240 314 I HA 0.142 4.312 4.170 -0.000 0.000 0.331 314 I C 1.843 178.046 176.117 0.143 0.000 1.381 314 I CA -0.571 60.778 61.300 0.081 0.000 1.136 314 I CB -0.074 37.962 38.000 0.059 0.000 1.137 314 I HN -0.265 nan 8.210 nan 0.000 0.411 315 Y N 3.173 123.483 120.300 0.016 0.000 2.014 315 Y HA -0.342 4.208 4.550 -0.000 0.000 0.272 315 Y C 2.161 178.133 175.900 0.120 0.000 1.164 315 Y CA 2.465 60.603 58.100 0.064 0.000 1.114 315 Y CB -0.245 38.224 38.460 0.014 0.000 0.961 315 Y HN 0.221 nan 8.280 nan 0.000 0.489 316 D N -0.030 120.583 120.400 0.355 0.000 2.106 316 D HA -0.251 4.389 4.640 -0.000 0.000 0.191 316 D C 2.112 178.468 176.300 0.092 0.000 0.997 316 D CA 1.909 56.044 54.000 0.225 0.000 0.834 316 D CB -0.525 40.383 40.800 0.181 0.000 0.956 316 D HN 0.647 nan 8.370 nan 0.000 0.448 317 E N -0.456 119.801 120.200 0.096 0.000 2.077 317 E HA -0.176 4.173 4.350 -0.000 0.000 0.193 317 E C 2.114 178.740 176.600 0.043 0.000 0.989 317 E CA 0.468 56.905 56.400 0.062 0.000 0.800 317 E CB -0.194 29.552 29.700 0.076 0.000 0.746 317 E HN 0.178 nan 8.360 nan 0.000 0.452 318 F N 0.895 120.804 119.950 -0.067 0.000 2.102 318 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 318 F C 2.081 177.797 175.800 -0.141 0.000 1.105 318 F CA 1.418 59.358 58.000 -0.100 0.000 1.239 318 F CB -0.393 38.537 39.000 -0.116 0.000 0.991 318 F HN -0.116 nan 8.300 nan 0.000 0.474 319 V N 0.592 120.424 119.914 -0.136 0.000 2.332 319 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 319 V C 2.383 178.363 176.094 -0.189 0.000 1.055 319 V CA 2.285 64.451 62.300 -0.223 0.000 1.038 319 V CB -0.871 30.799 31.823 -0.254 0.000 0.651 319 V HN 0.478 nan 8.190 nan 0.000 0.450 320 E N 0.334 120.460 120.200 -0.124 0.000 2.038 320 E HA -0.271 4.079 4.350 -0.000 0.000 0.195 320 E C 2.447 178.961 176.600 -0.144 0.000 1.000 320 E CA 1.678 58.020 56.400 -0.097 0.000 0.803 320 E CB -0.119 29.550 29.700 -0.051 0.000 0.750 320 E HN 0.529 nan 8.360 nan 0.000 0.448 321 R N -0.005 120.381 120.500 -0.190 0.000 2.092 321 R HA -0.044 4.296 4.340 -0.000 0.000 0.231 321 R C 2.648 178.772 176.300 -0.294 0.000 1.119 321 R CA 1.343 57.311 56.100 -0.221 0.000 0.970 321 R CB -0.130 30.037 30.300 -0.221 0.000 0.864 321 R HN 0.104 nan 8.270 nan 0.000 0.440 322 S N 0.339 115.794 115.700 -0.407 0.000 2.368 322 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 322 S C 2.098 176.584 174.600 -0.191 0.000 1.029 322 S CA 1.110 59.093 58.200 -0.361 0.000 0.988 322 S CB -0.071 62.852 63.200 -0.461 0.000 0.838 322 S HN 0.066 nan 8.310 nan 0.000 0.462 323 V N 2.056 121.875 119.914 -0.159 0.000 2.427 323 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 323 V C 2.627 178.647 176.094 -0.122 0.000 1.051 323 V CA 1.607 63.845 62.300 -0.105 0.000 1.048 323 V CB -1.197 30.576 31.823 -0.083 0.000 0.666 323 V HN 0.527 nan 8.190 nan 0.000 0.456 324 A N 0.466 123.202 122.820 -0.139 0.000 1.902 324 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 324 A C 2.315 179.793 177.584 -0.176 0.000 1.181 324 A CA 2.171 54.128 52.037 -0.134 0.000 0.623 324 A CB -0.514 18.413 19.000 -0.122 0.000 0.818 324 A HN 0.463 nan 8.150 nan 0.000 0.443 325 R N 0.181 120.535 120.500 -0.243 0.000 2.075 325 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 325 R C 2.122 178.167 176.300 -0.425 0.000 1.126 325 R CA 1.903 57.773 56.100 -0.383 0.000 0.963 325 R CB -0.860 29.127 30.300 -0.521 0.000 0.858 325 R HN 0.380 nan 8.270 nan 0.000 0.435 326 A N 0.674 123.316 122.820 -0.296 0.000 1.902 326 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 326 A C 1.985 179.454 177.584 -0.191 0.000 1.181 326 A CA 1.682 53.567 52.037 -0.254 0.000 0.623 326 A CB -0.403 18.526 19.000 -0.118 0.000 0.818 326 A HN 0.383 nan 8.150 nan 0.000 0.443 327 K N 0.305 120.619 120.400 -0.142 0.000 2.148 327 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 327 K C 2.098 178.640 176.600 -0.098 0.000 1.050 327 K CA 1.469 57.695 56.287 -0.101 0.000 0.942 327 K CB -0.137 32.313 32.500 -0.083 0.000 0.724 327 K HN 0.657 nan 8.250 nan 0.000 0.446 328 S N 0.627 116.253 115.700 -0.123 0.000 2.562 328 S HA -0.021 4.449 4.470 -0.000 0.000 0.221 328 S C 0.840 175.389 174.600 -0.086 0.000 0.975 328 S CA -0.221 57.919 58.200 -0.100 0.000 0.918 328 S CB -0.088 63.047 63.200 -0.109 0.000 0.772 328 S HN 0.139 nan 8.310 nan 0.000 0.531 329 R N 2.018 122.455 120.500 -0.104 0.000 2.404 329 R HA 0.238 4.578 4.340 -0.000 0.000 0.315 329 R C -0.979 175.306 176.300 -0.026 0.000 1.032 329 R CA -0.178 55.889 56.100 -0.055 0.000 0.992 329 R CB 0.204 30.452 30.300 -0.086 0.000 0.959 329 R HN 0.159 nan 8.270 nan 0.000 0.428 330 V N 6.351 126.266 119.914 0.003 0.000 2.446 330 V HA 0.068 4.188 4.120 -0.000 0.000 0.276 330 V C 0.156 176.273 176.094 0.039 0.000 1.030 330 V CA -0.136 62.172 62.300 0.014 0.000 1.033 330 V CB 1.098 32.932 31.823 0.019 0.000 0.993 330 V HN 0.462 nan 8.190 nan 0.000 0.477 331 V N 5.167 125.107 119.914 0.044 0.000 2.398 331 V HA 0.982 5.102 4.120 -0.000 0.000 0.286 331 V C 0.650 176.784 176.094 0.067 0.000 1.026 331 V CA 0.574 62.936 62.300 0.104 0.000 0.868 331 V CB 1.023 32.930 31.823 0.140 0.000 0.982 331 V HN 1.118 nan 8.190 nan 0.000 0.443 332 G N 3.704 112.592 108.800 0.147 0.000 2.364 332 G HA2 0.165 4.125 3.960 -0.000 0.000 0.286 332 G HA3 0.165 4.125 3.960 -0.000 0.000 0.286 332 G C -0.959 174.067 174.900 0.210 0.000 1.241 332 G CA -0.879 44.233 45.100 0.020 0.000 0.887 332 G HN 0.602 nan 8.290 nan 0.000 0.484 333 N N 2.161 120.915 118.700 0.091 0.000 2.414 333 N HA 0.181 4.921 4.740 -0.000 0.000 0.268 333 N C -0.464 175.123 175.510 0.128 0.000 1.286 333 N CA -0.909 52.232 53.050 0.152 0.000 0.896 333 N CB 1.299 39.851 38.487 0.108 0.000 1.093 333 N HN 0.146 nan 8.380 nan 0.000 0.480 334 P HA -0.177 nan 4.420 nan 0.000 0.220 334 P C 0.756 177.979 177.300 -0.128 0.000 1.144 334 P CA 1.367 64.417 63.100 -0.083 0.000 0.800 334 P CB -0.048 31.510 31.700 -0.236 0.000 0.772 335 F N -0.284 119.702 119.950 0.059 0.000 2.710 335 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 335 F C 1.333 177.147 175.800 0.023 0.000 1.137 335 F CA 0.067 58.078 58.000 0.019 0.000 1.444 335 F CB -0.210 38.749 39.000 -0.068 0.000 1.111 335 F HN -0.127 nan 8.300 nan 0.000 0.580 336 D N 0.184 120.689 120.400 0.175 0.000 2.312 336 D HA -0.001 4.639 4.640 -0.000 0.000 0.252 336 D C 1.261 177.625 176.300 0.108 0.000 1.150 336 D CA 0.240 54.309 54.000 0.115 0.000 0.870 336 D CB 1.440 42.287 40.800 0.078 0.000 1.153 336 D HN 0.130 nan 8.370 nan 0.000 0.457 337 S N 3.723 119.483 115.700 0.100 0.000 2.419 337 S HA -0.196 4.274 4.470 -0.000 0.000 0.235 337 S C 1.446 176.092 174.600 0.076 0.000 1.019 337 S CA 0.913 59.170 58.200 0.096 0.000 0.982 337 S CB -0.009 63.239 63.200 0.080 0.000 0.789 337 S HN 0.515 nan 8.310 nan 0.000 0.490 338 K N 0.916 121.352 120.400 0.061 0.000 2.305 338 K HA 0.092 4.412 4.320 -0.000 0.000 0.199 338 K C 0.194 176.826 176.600 0.054 0.000 1.047 338 K CA 0.539 56.856 56.287 0.049 0.000 0.976 338 K CB -0.233 32.287 32.500 0.033 0.000 0.765 338 K HN 0.283 nan 8.250 nan 0.000 0.474 339 T N 2.077 116.668 114.554 0.061 0.000 2.867 339 T HA -0.000 4.350 4.350 -0.000 0.000 0.297 339 T C 0.798 175.540 174.700 0.070 0.000 0.989 339 T CA 0.436 62.575 62.100 0.066 0.000 1.159 339 T CB 0.886 69.799 68.868 0.076 0.000 0.928 339 T HN 0.192 nan 8.240 nan 0.000 0.538 340 E N 1.702 121.944 120.200 0.070 0.000 2.340 340 E HA 0.059 4.409 4.350 -0.000 0.000 0.198 340 E C 0.769 177.409 176.600 0.068 0.000 0.961 340 E CA 0.186 56.635 56.400 0.083 0.000 0.905 340 E CB 0.593 30.349 29.700 0.093 0.000 0.884 340 E HN 0.557 nan 8.360 nan 0.000 0.491 341 Q N 0.202 120.041 119.800 0.065 0.000 2.304 341 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 341 Q C -0.583 175.464 176.000 0.079 0.000 1.035 341 Q CA -0.582 55.254 55.803 0.054 0.000 0.781 341 Q CB 1.842 30.622 28.738 0.071 0.000 1.261 341 Q HN 0.134 nan 8.270 nan 0.000 0.444 342 G N 3.093 111.890 108.800 -0.005 0.000 2.543 342 G HA2 0.588 4.548 3.960 -0.000 0.000 0.267 342 G HA3 0.588 4.548 3.960 -0.000 0.000 0.267 342 G C -2.517 172.222 174.900 -0.268 0.000 1.406 342 G CA -0.916 44.147 45.100 -0.062 0.000 1.048 342 G HN 0.547 nan 8.290 nan 0.000 0.548 343 P HA 0.230 nan 4.420 nan 0.000 0.279 343 P C -0.850 176.250 177.300 -0.334 0.000 1.276 343 P CA -0.451 62.154 63.100 -0.825 0.000 0.801 343 P CB 1.037 31.986 31.700 -1.252 0.000 1.127 344 Q N -0.138 119.555 119.800 -0.178 0.000 2.382 344 Q HA 0.064 4.404 4.340 -0.000 0.000 0.229 344 Q C 1.390 177.274 176.000 -0.193 0.000 1.006 344 Q CA -0.386 55.352 55.803 -0.109 0.000 0.916 344 Q CB 0.330 29.070 28.738 0.002 0.000 1.235 344 Q HN 0.202 nan 8.270 nan 0.000 0.512 345 V N 0.706 120.426 119.914 -0.323 0.000 2.282 345 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 345 V C 0.464 176.297 176.094 -0.434 0.000 1.057 345 V CA 2.833 64.856 62.300 -0.462 0.000 1.032 345 V CB -0.046 31.187 31.823 -0.983 0.000 0.645 345 V HN 0.999 nan 8.190 nan 0.000 0.447 346 D N -3.354 116.690 120.400 -0.593 0.000 2.759 346 D HA 0.130 4.770 4.640 -0.000 0.000 0.321 346 D C 0.730 176.290 176.300 -1.233 0.000 1.267 346 D CA -0.041 53.489 54.000 -0.783 0.000 0.933 346 D CB 0.748 41.223 40.800 -0.542 0.000 1.431 346 D HN 0.043 nan 8.370 nan 0.000 0.504 347 E N -0.642 118.781 120.200 -1.295 0.000 2.106 347 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 347 E C 1.236 177.655 176.600 -0.301 0.000 0.984 347 E CA 1.654 57.555 56.400 -0.832 0.000 0.806 347 E CB -0.055 29.436 29.700 -0.348 0.000 0.750 347 E HN 0.517 nan 8.360 nan 0.000 0.458 348 T N 1.200 115.584 114.554 -0.283 0.000 2.684 348 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 348 T C 1.798 176.422 174.700 -0.126 0.000 1.036 348 T CA 1.249 63.250 62.100 -0.165 0.000 1.148 348 T CB -0.149 68.620 68.868 -0.166 0.000 0.863 348 T HN 0.161 nan 8.240 nan 0.000 0.436 349 Q N -0.084 119.603 119.800 -0.187 0.000 2.119 349 Q HA 0.032 4.372 4.340 -0.000 0.000 0.201 349 Q C 2.073 178.059 176.000 -0.024 0.000 0.972 349 Q CA 0.888 56.628 55.803 -0.105 0.000 0.847 349 Q CB -0.622 28.005 28.738 -0.184 0.000 0.903 349 Q HN 0.532 nan 8.270 nan 0.000 0.433 350 F N 2.143 121.958 119.950 -0.225 0.000 2.065 350 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 350 F C 1.925 177.700 175.800 -0.041 0.000 1.112 350 F CA 1.663 59.590 58.000 -0.120 0.000 1.212 350 F CB 0.004 38.909 39.000 -0.158 0.000 0.975 350 F HN -0.029 nan 8.300 nan 0.000 0.476 351 K N -0.180 120.175 120.400 -0.074 0.000 2.155 351 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 351 K C 2.158 178.708 176.600 -0.084 0.000 1.052 351 K CA 1.116 57.325 56.287 -0.130 0.000 0.948 351 K CB -0.194 32.288 32.500 -0.030 0.000 0.728 351 K HN 0.211 nan 8.250 nan 0.000 0.448 352 K N 1.296 121.671 120.400 -0.043 0.000 2.057 352 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 352 K C 1.952 178.561 176.600 0.015 0.000 1.049 352 K CA 1.077 57.362 56.287 -0.003 0.000 0.931 352 K CB 0.029 32.535 32.500 0.010 0.000 0.714 352 K HN 0.051 nan 8.250 nan 0.000 0.440 353 I N 0.861 121.421 120.570 -0.016 0.000 2.315 353 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 353 I C 2.010 178.162 176.117 0.059 0.000 1.117 353 I CA 0.879 62.187 61.300 0.014 0.000 1.404 353 I CB -0.162 37.836 38.000 -0.002 0.000 1.071 353 I HN 0.152 nan 8.210 nan 0.000 0.419 354 L N 0.509 121.691 121.223 -0.068 0.000 2.046 354 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 354 L C 2.695 179.570 176.870 0.009 0.000 1.077 354 L CA 1.569 56.364 54.840 -0.075 0.000 0.747 354 L CB -1.103 40.821 42.059 -0.225 0.000 0.896 354 L HN 0.313 nan 8.230 nan 0.000 0.432 355 G N -1.081 107.729 108.800 0.017 0.000 2.408 355 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 355 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 355 G C 1.498 176.447 174.900 0.082 0.000 1.150 355 G CA 0.656 45.778 45.100 0.037 0.000 0.776 355 G HN 0.370 nan 8.290 nan 0.000 0.542 356 Y N 1.183 121.471 120.300 -0.020 0.000 2.181 356 Y HA -0.039 4.511 4.550 -0.000 0.000 0.288 356 Y C 2.540 178.438 175.900 -0.004 0.000 1.146 356 Y CA 1.308 59.395 58.100 -0.022 0.000 1.164 356 Y CB -0.106 38.345 38.460 -0.016 0.000 0.982 356 Y HN 0.169 nan 8.280 nan 0.000 0.515 357 I N 0.336 121.021 120.570 0.192 0.000 2.286 357 I HA -0.343 3.827 4.170 -0.000 0.000 0.248 357 I C 2.186 178.379 176.117 0.127 0.000 1.115 357 I CA 1.297 62.728 61.300 0.218 0.000 1.392 357 I CB -0.523 37.623 38.000 0.243 0.000 1.065 357 I HN 0.356 nan 8.210 nan 0.000 0.418 358 N N 0.469 119.201 118.700 0.052 0.000 2.084 358 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 358 N C 1.833 177.321 175.510 -0.038 0.000 1.030 358 N CA 1.847 54.911 53.050 0.023 0.000 0.849 358 N CB -0.255 38.237 38.487 0.010 0.000 1.012 358 N HN 0.282 nan 8.380 nan 0.000 0.423 359 T N 0.055 114.546 114.554 -0.104 0.000 2.759 359 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 359 T C 1.793 176.331 174.700 -0.270 0.000 1.042 359 T CA 1.317 63.317 62.100 -0.167 0.000 1.140 359 T CB -0.580 68.179 68.868 -0.182 0.000 0.864 359 T HN 0.390 nan 8.240 nan 0.000 0.455 360 G N 1.635 110.174 108.800 -0.435 0.000 2.418 360 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 360 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 360 G C 1.607 176.312 174.900 -0.325 0.000 1.158 360 G CA 0.744 45.402 45.100 -0.736 0.000 0.771 360 G HN 0.438 nan 8.290 nan 0.000 0.545 361 K N 0.075 120.481 120.400 0.011 0.000 2.057 361 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 361 K C 2.732 179.346 176.600 0.024 0.000 1.050 361 K CA 1.109 57.476 56.287 0.133 0.000 0.935 361 K CB -0.133 32.457 32.500 0.149 0.000 0.715 361 K HN 0.219 nan 8.250 nan 0.000 0.439 362 Q N 0.902 120.688 119.800 -0.023 0.000 2.124 362 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 362 Q C 1.430 177.402 176.000 -0.046 0.000 0.977 362 Q CA 1.387 57.172 55.803 -0.032 0.000 0.850 362 Q CB -0.012 28.701 28.738 -0.043 0.000 0.901 362 Q HN 0.474 nan 8.270 nan 0.000 0.429 363 E N -0.820 119.330 120.200 -0.084 0.000 2.502 363 E HA 0.065 4.415 4.350 -0.000 0.000 0.194 363 E C 0.718 177.280 176.600 -0.064 0.000 1.062 363 E CA 0.319 56.667 56.400 -0.087 0.000 0.867 363 E CB 0.276 29.896 29.700 -0.134 0.000 0.888 363 E HN 0.519 nan 8.360 nan 0.000 0.510 364 G N 0.948 109.726 108.800 -0.037 0.000 2.159 364 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.227 364 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.227 364 G C 0.317 175.229 174.900 0.020 0.000 0.986 364 G CA -0.088 45.010 45.100 -0.003 0.000 0.651 364 G HN 0.437 nan 8.290 nan 0.000 0.523 365 A N 0.126 122.948 122.820 0.003 0.000 2.425 365 A HA 0.610 4.930 4.320 -0.000 0.000 0.249 365 A C 0.663 178.415 177.584 0.280 0.000 1.084 365 A CA 0.530 52.615 52.037 0.081 0.000 0.781 365 A CB 0.407 19.314 19.000 -0.155 0.000 1.019 365 A HN 0.547 nan 8.150 nan 0.000 0.490 366 K N 2.582 123.138 120.400 0.259 0.000 2.262 366 K HA 0.224 4.544 4.320 -0.000 0.000 0.288 366 K C -0.629 176.054 176.600 0.139 0.000 1.090 366 K CA -0.437 55.961 56.287 0.185 0.000 0.918 366 K CB -0.025 32.552 32.500 0.128 0.000 1.139 366 K HN 0.577 nan 8.250 nan 0.000 0.462 367 L N 6.497 127.725 121.223 0.008 0.000 2.456 367 L HA 0.053 4.393 4.340 -0.000 0.000 0.277 367 L C 0.310 177.065 176.870 -0.191 0.000 1.124 367 L CA 0.597 55.233 54.840 -0.341 0.000 0.880 367 L CB 0.312 42.189 42.059 -0.303 0.000 1.192 367 L HN 0.782 nan 8.230 nan 0.000 0.463 368 L N 4.753 125.859 121.223 -0.195 0.000 2.354 368 L HA 0.175 4.515 4.340 -0.000 0.000 0.212 368 L C 0.615 177.425 176.870 -0.101 0.000 1.091 368 L CA 0.341 55.121 54.840 -0.100 0.000 0.828 368 L CB -0.116 41.909 42.059 -0.056 0.000 0.973 368 L HN 0.837 nan 8.230 nan 0.000 0.461 369 C N -3.232 115.987 119.300 -0.135 0.000 3.292 369 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 369 C C 0.742 175.671 174.990 -0.101 0.000 1.323 369 C CA -0.577 58.384 59.018 -0.095 0.000 1.232 369 C CB 0.866 28.567 27.740 -0.064 0.000 1.517 369 C HN 0.622 nan 8.230 nan 0.000 0.470 370 G N 0.954 109.718 108.800 -0.060 0.000 2.574 370 G HA2 0.322 4.282 3.960 -0.000 0.000 0.286 370 G HA3 0.322 4.282 3.960 -0.000 0.000 0.286 370 G C 1.376 176.244 174.900 -0.052 0.000 1.212 370 G CA 2.491 47.572 45.100 -0.032 0.000 0.979 370 G HN 3.322 nan 8.290 nan 0.000 0.557 371 G N -2.221 106.561 108.800 -0.029 0.000 2.195 371 G HA2 0.411 4.371 3.960 -0.000 0.000 0.224 371 G HA3 0.411 4.371 3.960 -0.000 0.000 0.224 371 G C 1.428 176.337 174.900 0.014 0.000 0.990 371 G CA 1.017 46.101 45.100 -0.027 0.000 0.639 371 G HN 2.540 nan 8.290 nan 0.000 0.514 372 G N -0.947 107.868 108.800 0.025 0.000 3.022 372 G HA2 0.684 4.644 3.960 -0.000 0.000 0.284 372 G HA3 0.684 4.644 3.960 -0.000 0.000 0.284 372 G C -0.267 174.673 174.900 0.067 0.000 1.375 372 G CA -0.791 44.328 45.100 0.031 0.000 0.902 372 G HN 0.609 nan 8.290 nan 0.000 0.538 373 I N 1.115 121.738 120.570 0.088 0.000 2.634 373 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 373 I C 1.404 177.620 176.117 0.165 0.000 1.124 373 I CA -0.052 61.363 61.300 0.192 0.000 1.417 373 I CB 1.698 39.845 38.000 0.245 0.000 1.396 373 I HN 0.544 nan 8.210 nan 0.000 0.571 374 A N 4.990 127.938 122.820 0.214 0.000 2.220 374 A HA 0.666 4.986 4.320 -0.000 0.000 0.211 374 A C 0.719 178.323 177.584 0.032 0.000 1.176 374 A CA 0.550 52.662 52.037 0.124 0.000 0.834 374 A CB 0.140 19.235 19.000 0.158 0.000 0.868 374 A HN 0.813 nan 8.150 nan 0.000 0.488 375 A N -0.925 121.931 122.820 0.060 0.000 2.605 375 A HA 0.537 4.857 4.320 -0.000 0.000 0.294 375 A C -0.869 176.724 177.584 0.015 0.000 1.062 375 A CA -0.337 51.658 52.037 -0.069 0.000 0.682 375 A CB 0.424 19.203 19.000 -0.368 0.000 1.278 375 A HN -0.045 nan 8.150 nan 0.000 0.410 376 D N 0.093 120.478 120.400 -0.025 0.000 2.355 376 D HA 0.058 4.698 4.640 -0.000 0.000 0.218 376 D C 0.533 176.817 176.300 -0.028 0.000 1.004 376 D CA 0.895 54.897 54.000 0.003 0.000 0.880 376 D CB 0.343 41.139 40.800 -0.006 0.000 0.911 376 D HN 0.469 nan 8.370 nan 0.000 0.528 377 R N 0.034 120.496 120.500 -0.064 0.000 2.480 377 R HA 0.482 4.822 4.340 -0.000 0.000 0.306 377 R C 0.095 176.379 176.300 -0.027 0.000 0.958 377 R CA -0.070 55.980 56.100 -0.083 0.000 0.861 377 R CB 1.303 31.550 30.300 -0.089 0.000 1.171 377 R HN 0.078 nan 8.270 nan 0.000 0.445 378 G N 2.468 111.151 108.800 -0.195 0.000 2.685 378 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.387 378 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.387 378 G C -0.987 173.531 174.900 -0.638 0.000 1.324 378 G CA -0.452 44.442 45.100 -0.343 0.000 0.878 378 G HN 0.636 nan 8.290 nan 0.000 0.527 379 Y N -0.062 119.919 120.300 -0.533 0.000 2.813 379 Y HA 0.523 5.073 4.550 -0.000 0.000 0.378 379 Y C 0.539 176.161 175.900 -0.463 0.000 1.023 379 Y CA -0.799 56.733 58.100 -0.947 0.000 1.567 379 Y CB 0.080 38.103 38.460 -0.729 0.000 1.492 379 Y HN 0.318 nan 8.280 nan 0.000 0.533 380 F N 1.583 121.501 119.950 -0.055 0.000 2.410 380 F HA 0.434 4.961 4.527 -0.000 0.000 0.348 380 F C 0.236 176.228 175.800 0.321 0.000 1.106 380 F CA -0.876 57.199 58.000 0.125 0.000 1.163 380 F CB 0.565 39.589 39.000 0.040 0.000 1.129 380 F HN 0.023 nan 8.300 nan 0.000 0.516 381 I N 2.653 123.468 120.570 0.408 0.000 2.509 381 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 381 I C -0.487 175.762 176.117 0.220 0.000 1.020 381 I CA -1.038 60.445 61.300 0.306 0.000 1.088 381 I CB 2.026 40.167 38.000 0.236 0.000 1.267 381 I HN 0.529 nan 8.210 nan 0.000 0.430 382 Q N 5.759 125.658 119.800 0.164 0.000 2.364 382 Q HA 0.189 4.529 4.340 -0.000 0.000 0.267 382 Q C -2.316 173.761 176.000 0.128 0.000 0.999 382 Q CA -1.537 54.335 55.803 0.116 0.000 0.886 382 Q CB 0.071 28.851 28.738 0.071 0.000 1.243 382 Q HN 0.257 nan 8.270 nan 0.000 0.415 383 P HA -0.025 nan 4.420 nan 0.000 0.265 383 P C -1.094 176.314 177.300 0.179 0.000 1.222 383 P CA 0.450 63.642 63.100 0.153 0.000 0.767 383 P CB 0.507 32.125 31.700 -0.137 0.000 0.801 384 T N 3.132 117.855 114.554 0.282 0.000 2.829 384 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 384 T C -0.158 174.641 174.700 0.165 0.000 0.990 384 T CA -0.400 61.780 62.100 0.134 0.000 1.028 384 T CB 0.901 69.830 68.868 0.102 0.000 0.951 384 T HN -0.044 nan 8.240 nan 0.000 0.460 385 V N 3.657 123.571 119.914 -0.001 0.000 2.531 385 V HA 0.529 4.649 4.120 -0.000 0.000 0.301 385 V C -1.062 174.954 176.094 -0.131 0.000 1.034 385 V CA -0.903 61.418 62.300 0.035 0.000 0.865 385 V CB 1.483 33.343 31.823 0.060 0.000 0.995 385 V HN 0.835 nan 8.190 nan 0.000 0.424 386 F N 2.325 122.305 119.950 0.049 0.000 2.444 386 F HA 0.762 5.289 4.527 -0.000 0.000 0.342 386 F C 0.873 176.695 175.800 0.037 0.000 1.121 386 F CA -0.263 57.754 58.000 0.029 0.000 0.997 386 F CB 2.114 41.115 39.000 0.002 0.000 1.130 386 F HN 0.613 nan 8.300 nan 0.000 0.454 387 G N 0.956 109.900 108.800 0.240 0.000 2.491 387 G HA2 0.312 4.272 3.960 -0.000 0.000 0.327 387 G HA3 0.312 4.272 3.960 -0.000 0.000 0.327 387 G C -0.488 174.552 174.900 0.234 0.000 1.189 387 G CA -0.634 44.596 45.100 0.218 0.000 0.956 387 G HN 0.731 nan 8.290 nan 0.000 0.491 388 D N -1.059 119.519 120.400 0.296 0.000 2.701 388 D HA -0.163 4.477 4.640 -0.000 0.000 0.235 388 D C 0.545 176.903 176.300 0.097 0.000 1.155 388 D CA 0.597 54.701 54.000 0.174 0.000 0.649 388 D CB -0.992 39.872 40.800 0.106 0.000 1.050 388 D HN 0.151 nan 8.370 nan 0.000 0.425 389 V N 0.856 120.822 119.914 0.087 0.000 2.686 389 V HA 0.048 4.168 4.120 -0.000 0.000 0.295 389 V C 0.804 176.890 176.094 -0.014 0.000 1.055 389 V CA 0.161 62.463 62.300 0.005 0.000 1.050 389 V CB 1.741 33.545 31.823 -0.031 0.000 0.984 389 V HN 0.078 nan 8.190 nan 0.000 0.482 390 Q N 1.892 121.673 119.800 -0.031 0.000 2.342 390 Q HA 0.329 4.669 4.340 -0.000 0.000 0.267 390 Q C 0.317 176.308 176.000 -0.015 0.000 1.038 390 Q CA -0.752 55.044 55.803 -0.011 0.000 0.832 390 Q CB 1.677 30.410 28.738 -0.009 0.000 1.323 390 Q HN 0.686 nan 8.270 nan 0.000 0.448 391 D N 1.503 121.917 120.400 0.023 0.000 2.190 391 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 391 D C 1.554 177.863 176.300 0.016 0.000 0.992 391 D CA 1.817 55.842 54.000 0.042 0.000 0.854 391 D CB -0.051 40.800 40.800 0.084 0.000 0.936 391 D HN 0.832 nan 8.370 nan 0.000 0.462 392 G N -0.362 108.439 108.800 0.003 0.000 2.511 392 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.217 392 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.217 392 G C 0.731 175.613 174.900 -0.030 0.000 1.133 392 G CA -0.097 44.997 45.100 -0.009 0.000 0.792 392 G HN 0.182 nan 8.290 nan 0.000 0.539 393 M N 0.644 120.213 119.600 -0.052 0.000 2.245 393 M HA 0.146 4.626 4.480 -0.000 0.000 0.330 393 M C 1.823 178.066 176.300 -0.095 0.000 1.098 393 M CA -0.077 55.168 55.300 -0.092 0.000 1.172 393 M CB 0.939 33.457 32.600 -0.136 0.000 1.467 393 M HN -0.085 nan 8.290 nan 0.000 0.454 394 T N 2.071 116.554 114.554 -0.118 0.000 2.788 394 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 394 T C 1.502 176.145 174.700 -0.094 0.000 1.044 394 T CA 1.580 63.625 62.100 -0.091 0.000 1.139 394 T CB -0.488 68.322 68.868 -0.097 0.000 0.867 394 T HN 0.764 nan 8.240 nan 0.000 0.454 395 I N -0.574 119.839 120.570 -0.261 0.000 3.083 395 I HA 0.217 4.387 4.170 -0.000 0.000 0.273 395 I C 2.001 178.090 176.117 -0.046 0.000 1.297 395 I CA 0.720 61.845 61.300 -0.291 0.000 1.452 395 I CB -0.320 37.228 38.000 -0.753 0.000 1.078 395 I HN 0.081 nan 8.210 nan 0.000 0.484 396 A N 0.794 123.577 122.820 -0.062 0.000 2.390 396 A HA 0.285 4.605 4.320 -0.000 0.000 0.232 396 A C 1.970 179.559 177.584 0.008 0.000 1.233 396 A CA -0.154 51.864 52.037 -0.031 0.000 0.907 396 A CB 0.052 19.018 19.000 -0.056 0.000 0.967 396 A HN 0.409 nan 8.150 nan 0.000 0.512 397 K N -0.612 119.798 120.400 0.016 0.000 2.424 397 K HA 0.194 4.514 4.320 -0.000 0.000 0.198 397 K C 0.165 176.782 176.600 0.029 0.000 1.190 397 K CA 0.057 56.358 56.287 0.024 0.000 0.935 397 K CB 0.939 33.448 32.500 0.014 0.000 1.087 397 K HN 0.361 nan 8.250 nan 0.000 0.524 398 E N 1.987 122.221 120.200 0.058 0.000 2.175 398 E HA 0.080 4.430 4.350 -0.000 0.000 0.278 398 E C -1.274 175.316 176.600 -0.016 0.000 0.969 398 E CA -0.330 56.100 56.400 0.050 0.000 0.796 398 E CB 1.426 31.189 29.700 0.106 0.000 1.104 398 E HN -0.076 nan 8.360 nan 0.000 0.395 399 E N 3.321 123.430 120.200 -0.152 0.000 2.200 399 E HA 0.132 4.482 4.350 -0.000 0.000 0.283 399 E C -0.027 176.273 176.600 -0.499 0.000 1.015 399 E CA -0.182 55.977 56.400 -0.402 0.000 0.819 399 E CB 0.699 30.058 29.700 -0.568 0.000 1.081 399 E HN 0.537 nan 8.360 nan 0.000 0.397 400 I N 1.574 121.770 120.570 -0.623 0.000 4.139 400 I HA 0.369 4.539 4.170 -0.000 0.000 0.335 400 I C -0.165 175.871 176.117 -0.135 0.000 1.327 400 I CA -0.423 60.611 61.300 -0.445 0.000 1.112 400 I CB -0.594 36.916 38.000 -0.818 0.000 1.058 400 I HN 0.467 nan 8.210 nan 0.000 0.396 401 F N 1.726 121.599 119.950 -0.128 0.000 2.891 401 F HA -0.009 4.518 4.527 -0.000 0.000 0.272 401 F C 0.807 176.584 175.800 -0.039 0.000 1.004 401 F CA 0.519 58.496 58.000 -0.038 0.000 0.938 401 F CB -1.735 37.297 39.000 0.054 0.000 0.939 401 F HN 0.462 nan 8.300 nan 0.000 0.833 402 G N -0.159 108.634 108.800 -0.012 0.000 2.725 402 G HA2 0.714 4.674 3.960 -0.000 0.000 0.288 402 G HA3 0.714 4.674 3.960 -0.000 0.000 0.288 402 G C -2.879 172.007 174.900 -0.024 0.000 1.399 402 G CA -1.308 43.795 45.100 0.005 0.000 0.859 402 G HN -0.137 nan 8.290 nan 0.000 0.479 403 P HA 0.210 nan 4.420 nan 0.000 0.225 403 P C -0.528 176.842 177.300 0.116 0.000 1.768 403 P CA -0.046 63.124 63.100 0.117 0.000 0.943 403 P CB 0.155 32.049 31.700 0.323 0.000 1.936 404 V N 2.559 122.458 119.914 -0.025 0.000 2.349 404 V HA 0.323 4.443 4.120 -0.000 0.000 0.284 404 V C 0.404 176.498 176.094 0.001 0.000 1.014 404 V CA -0.648 61.720 62.300 0.114 0.000 0.826 404 V CB 1.825 33.843 31.823 0.324 0.000 1.009 404 V HN 0.276 nan 8.190 nan 0.000 0.431 405 M N 3.997 123.592 119.600 -0.009 0.000 2.277 405 M HA 0.527 5.007 4.480 -0.000 0.000 0.350 405 M C -0.708 175.665 176.300 0.121 0.000 1.180 405 M CA -0.291 54.984 55.300 -0.042 0.000 1.103 405 M CB 1.306 33.889 32.600 -0.028 0.000 1.577 405 M HN 0.615 nan 8.290 nan 0.000 0.459 406 Q N 4.799 124.637 119.800 0.063 0.000 2.333 406 Q HA 0.562 4.902 4.340 -0.000 0.000 0.268 406 Q C -1.325 174.688 176.000 0.021 0.000 1.007 406 Q CA 0.002 55.847 55.803 0.069 0.000 0.810 406 Q CB 1.829 30.569 28.738 0.003 0.000 1.264 406 Q HN 0.670 nan 8.270 nan 0.000 0.452 407 I N 4.014 124.622 120.570 0.063 0.000 2.355 407 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 407 I C -0.924 175.242 176.117 0.081 0.000 0.999 407 I CA -0.879 60.455 61.300 0.056 0.000 1.163 407 I CB 0.801 38.840 38.000 0.064 0.000 1.316 407 I HN 0.311 nan 8.210 nan 0.000 0.454 408 L N 6.819 128.029 121.223 -0.021 0.000 2.334 408 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 408 L C 0.047 177.080 176.870 0.272 0.000 1.013 408 L CA -0.452 54.392 54.840 0.007 0.000 0.816 408 L CB 1.262 43.076 42.059 -0.408 0.000 1.278 408 L HN 0.443 nan 8.230 nan 0.000 0.431 409 K N 2.449 123.028 120.400 0.297 0.000 2.138 409 K HA 0.605 4.925 4.320 -0.000 0.000 0.263 409 K C -1.399 175.404 176.600 0.338 0.000 0.965 409 K CA -0.323 56.130 56.287 0.276 0.000 0.868 409 K CB 1.435 33.851 32.500 -0.141 0.000 1.083 409 K HN 0.523 nan 8.250 nan 0.000 0.443 410 F N 0.613 120.668 119.950 0.175 0.000 2.643 410 F HA 0.454 4.981 4.527 -0.000 0.000 0.314 410 F C 0.464 176.319 175.800 0.091 0.000 1.096 410 F CA -0.928 57.163 58.000 0.150 0.000 0.953 410 F CB 1.500 40.626 39.000 0.210 0.000 1.345 410 F HN 0.573 nan 8.300 nan 0.000 0.468 411 K N 0.064 120.571 120.400 0.178 0.000 2.267 411 K HA 0.223 4.543 4.320 -0.000 0.000 0.213 411 K C 0.288 176.968 176.600 0.134 0.000 1.060 411 K CA 1.042 57.353 56.287 0.040 0.000 0.935 411 K CB 0.217 32.748 32.500 0.052 0.000 1.096 411 K HN 0.908 nan 8.250 nan 0.000 0.468 412 T N -2.012 112.692 114.554 0.251 0.000 2.952 412 T HA 0.262 4.612 4.350 -0.000 0.000 0.286 412 T C 1.172 176.041 174.700 0.282 0.000 1.024 412 T CA -0.835 61.392 62.100 0.213 0.000 1.029 412 T CB 1.418 70.348 68.868 0.103 0.000 1.094 412 T HN 0.207 nan 8.240 nan 0.000 0.515 413 I N 0.320 120.996 120.570 0.176 0.000 2.394 413 I HA -0.075 4.095 4.170 -0.000 0.000 0.251 413 I C 2.154 178.331 176.117 0.100 0.000 1.136 413 I CA 1.411 62.786 61.300 0.125 0.000 1.425 413 I CB -0.052 37.981 38.000 0.055 0.000 1.079 413 I HN 0.766 nan 8.210 nan 0.000 0.425 414 E N 0.638 120.887 120.200 0.082 0.000 2.110 414 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 414 E C 1.953 178.583 176.600 0.050 0.000 0.988 414 E CA 1.305 57.764 56.400 0.098 0.000 0.804 414 E CB -0.157 29.582 29.700 0.064 0.000 0.745 414 E HN 0.524 nan 8.360 nan 0.000 0.458 415 E N 0.284 120.513 120.200 0.048 0.000 2.015 415 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 415 E C 2.126 178.680 176.600 -0.077 0.000 0.991 415 E CA 1.146 57.563 56.400 0.028 0.000 0.802 415 E CB -0.094 29.672 29.700 0.110 0.000 0.759 415 E HN 0.144 nan 8.360 nan 0.000 0.447 416 V N 0.542 120.339 119.914 -0.195 0.000 2.380 416 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 416 V C 2.310 178.130 176.094 -0.457 0.000 1.063 416 V CA 1.657 63.627 62.300 -0.550 0.000 1.055 416 V CB -0.120 31.030 31.823 -1.123 0.000 0.657 416 V HN 0.225 nan 8.190 nan 0.000 0.455 417 V N 0.642 120.411 119.914 -0.242 0.000 2.255 417 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 417 V C 2.684 178.675 176.094 -0.172 0.000 1.051 417 V CA 2.347 64.537 62.300 -0.184 0.000 1.018 417 V CB -1.512 30.263 31.823 -0.080 0.000 0.641 417 V HN 0.637 nan 8.190 nan 0.000 0.445 418 G N -0.594 108.135 108.800 -0.118 0.000 2.422 418 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 418 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 418 G C 1.760 176.605 174.900 -0.092 0.000 1.146 418 G CA 0.684 45.735 45.100 -0.083 0.000 0.769 418 G HN 0.450 nan 8.290 nan 0.000 0.547 419 R N 0.376 120.795 120.500 -0.135 0.000 2.073 419 R HA 0.140 4.480 4.340 -0.000 0.000 0.229 419 R C 3.021 179.237 176.300 -0.140 0.000 1.120 419 R CA 1.029 57.076 56.100 -0.090 0.000 0.967 419 R CB -0.320 29.962 30.300 -0.028 0.000 0.862 419 R HN 0.327 nan 8.270 nan 0.000 0.436 420 A N 1.102 123.689 122.820 -0.388 0.000 1.930 420 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 420 A C 1.869 179.386 177.584 -0.111 0.000 1.175 420 A CA 1.443 53.293 52.037 -0.312 0.000 0.627 420 A CB -0.665 18.069 19.000 -0.444 0.000 0.815 420 A HN 0.401 nan 8.150 nan 0.000 0.443 421 N N -0.299 118.329 118.700 -0.120 0.000 2.409 421 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 421 N C 0.344 175.830 175.510 -0.041 0.000 1.032 421 N CA 0.082 53.086 53.050 -0.077 0.000 0.898 421 N CB -0.124 38.309 38.487 -0.091 0.000 0.971 421 N HN 0.294 nan 8.380 nan 0.000 0.441 422 N N 1.221 119.905 118.700 -0.027 0.000 2.892 422 N HA 0.045 4.785 4.740 -0.000 0.000 0.300 422 N C -1.495 174.026 175.510 0.018 0.000 1.211 422 N CA 0.352 53.401 53.050 -0.001 0.000 1.158 422 N CB -0.047 38.447 38.487 0.011 0.000 1.455 422 N HN 0.087 nan 8.380 nan 0.000 0.524 427 L N 0.567 121.750 121.223 -0.068 0.000 2.068 427 L HA 0.745 5.085 4.340 -0.000 0.000 0.204 427 L C 1.174 177.946 176.870 -0.164 0.000 1.076 427 L CA 2.316 57.070 54.840 -0.143 0.000 0.753 427 L CB 0.028 42.074 42.059 -0.022 0.000 0.910 427 L HN 0.565 nan 8.230 nan 0.000 0.439 428 A N -2.103 120.695 122.820 -0.037 0.000 2.602 428 A HA 0.892 5.212 4.320 -0.000 0.000 0.290 428 A C -1.478 176.115 177.584 0.015 0.000 1.114 428 A CA -0.093 51.882 52.037 -0.104 0.000 0.683 428 A CB 0.937 19.926 19.000 -0.019 0.000 1.281 428 A HN 0.463 nan 8.150 nan 0.000 0.416 429 A N -1.088 121.721 122.820 -0.018 0.000 2.597 429 A HA 0.972 5.292 4.320 -0.000 0.000 0.292 429 A C -0.671 177.053 177.584 0.235 0.000 1.057 429 A CA 0.147 52.275 52.037 0.151 0.000 0.674 429 A CB 0.562 19.583 19.000 0.034 0.000 1.278 429 A HN 2.668 nan 8.150 nan 0.000 0.416 430 A N -0.161 122.898 122.820 0.397 0.000 2.556 430 A HA 0.868 5.188 4.320 -0.000 0.000 0.294 430 A C -1.433 176.353 177.584 0.338 0.000 1.091 430 A CA -0.582 51.728 52.037 0.455 0.000 0.704 430 A CB 1.710 21.230 19.000 0.866 0.000 1.300 430 A HN 1.822 nan 8.150 nan 0.000 0.406 431 V N 0.867 120.922 119.914 0.234 0.000 2.668 431 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 431 V C -1.688 174.466 176.094 0.100 0.000 1.071 431 V CA -0.245 62.178 62.300 0.206 0.000 0.894 431 V CB 1.561 33.447 31.823 0.104 0.000 1.008 431 V HN 0.721 nan 8.190 nan 0.000 0.425 432 F N 2.766 122.814 119.950 0.164 0.000 2.449 432 F HA 0.810 5.337 4.527 -0.000 0.000 0.342 432 F C 0.337 176.230 175.800 0.155 0.000 1.127 432 F CA -0.226 57.880 58.000 0.176 0.000 0.975 432 F CB 2.133 41.236 39.000 0.171 0.000 1.146 432 F HN 0.522 nan 8.300 nan 0.000 0.444 433 T N 1.976 116.674 114.554 0.241 0.000 2.831 433 T HA 0.251 4.601 4.350 -0.000 0.000 0.333 433 T C -0.139 174.642 174.700 0.135 0.000 1.684 433 T CA -0.730 61.480 62.100 0.185 0.000 1.049 433 T CB 1.389 70.347 68.868 0.150 0.000 1.518 433 T HN 0.664 nan 8.240 nan 0.000 0.491 434 K N 0.762 121.231 120.400 0.115 0.000 2.367 434 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 434 K C -0.278 176.359 176.600 0.062 0.000 1.027 434 K CA -0.094 56.242 56.287 0.082 0.000 1.075 434 K CB 0.264 32.809 32.500 0.075 0.000 0.845 434 K HN 0.482 nan 8.250 nan 0.000 0.529 435 D N 1.001 121.441 120.400 0.067 0.000 2.295 435 D HA 0.025 4.665 4.640 -0.000 0.000 0.248 435 D C 0.842 177.172 176.300 0.050 0.000 1.154 435 D CA -0.282 53.750 54.000 0.053 0.000 0.857 435 D CB 1.127 41.958 40.800 0.052 0.000 1.117 435 D HN -0.167 nan 8.370 nan 0.000 0.468 436 L N 4.177 125.423 121.223 0.040 0.000 1.971 436 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 436 L C 1.261 178.159 176.870 0.047 0.000 1.072 436 L CA 2.012 56.874 54.840 0.037 0.000 0.758 436 L CB -0.485 41.591 42.059 0.028 0.000 0.889 436 L HN 0.495 nan 8.230 nan 0.000 0.433 437 D N -0.445 119.982 120.400 0.045 0.000 2.144 437 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 437 D C 2.212 178.567 176.300 0.091 0.000 0.984 437 D CA 1.330 55.364 54.000 0.057 0.000 0.834 437 D CB -0.083 40.735 40.800 0.031 0.000 0.955 437 D HN 0.417 nan 8.370 nan 0.000 0.465 438 K N 0.426 120.871 120.400 0.075 0.000 2.057 438 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 438 K C 2.132 178.816 176.600 0.141 0.000 1.050 438 K CA 1.057 57.408 56.287 0.108 0.000 0.935 438 K CB -0.067 32.484 32.500 0.084 0.000 0.715 438 K HN 0.029 nan 8.250 nan 0.000 0.439 439 A N 2.096 124.973 122.820 0.096 0.000 1.877 439 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 439 A C 1.835 179.456 177.584 0.061 0.000 1.186 439 A CA 1.683 53.762 52.037 0.071 0.000 0.620 439 A CB -0.476 18.553 19.000 0.047 0.000 0.822 439 A HN 0.231 nan 8.150 nan 0.000 0.443 440 N N -1.676 117.065 118.700 0.068 0.000 2.216 440 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 440 N C 1.585 177.131 175.510 0.061 0.000 1.017 440 N CA 1.527 54.607 53.050 0.049 0.000 0.861 440 N CB -0.534 37.981 38.487 0.048 0.000 0.986 440 N HN 0.678 nan 8.380 nan 0.000 0.428 441 Y N 1.676 121.970 120.300 -0.009 0.000 2.114 441 Y HA -0.071 4.479 4.550 -0.000 0.000 0.284 441 Y C 2.203 178.087 175.900 -0.026 0.000 1.143 441 Y CA 1.397 59.489 58.100 -0.014 0.000 1.135 441 Y CB -0.431 38.025 38.460 -0.006 0.000 0.980 441 Y HN -0.063 nan 8.280 nan 0.000 0.499 442 L N -0.240 121.004 121.223 0.035 0.000 2.056 442 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 442 L C 2.757 179.560 176.870 -0.112 0.000 1.078 442 L CA 1.454 56.255 54.840 -0.064 0.000 0.749 442 L CB -0.790 41.298 42.059 0.048 0.000 0.901 442 L HN 0.379 nan 8.230 nan 0.000 0.433 443 S N -0.848 114.810 115.700 -0.070 0.000 2.400 443 S HA -0.307 4.163 4.470 -0.000 0.000 0.232 443 S C 1.902 176.429 174.600 -0.122 0.000 1.025 443 S CA 1.495 59.644 58.200 -0.086 0.000 0.993 443 S CB -0.360 62.804 63.200 -0.060 0.000 0.808 443 S HN 0.527 nan 8.310 nan 0.000 0.478 444 Q N 0.908 120.623 119.800 -0.142 0.000 2.123 444 Q HA 0.172 4.512 4.340 -0.000 0.000 0.196 444 Q C 2.268 178.149 176.000 -0.198 0.000 0.958 444 Q CA 0.893 56.603 55.803 -0.154 0.000 0.841 444 Q CB -0.421 28.233 28.738 -0.140 0.000 0.915 444 Q HN 0.687 nan 8.270 nan 0.000 0.455 445 A N 0.856 123.503 122.820 -0.288 0.000 1.929 445 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 445 A C 0.996 178.454 177.584 -0.211 0.000 1.176 445 A CA 0.259 52.114 52.037 -0.304 0.000 0.628 445 A CB -0.453 18.244 19.000 -0.505 0.000 0.816 445 A HN 0.372 nan 8.150 nan 0.000 0.444 446 L N 1.032 122.143 121.223 -0.187 0.000 2.513 446 L HA 0.023 4.363 4.340 -0.000 0.000 0.272 446 L C 0.100 176.889 176.870 -0.136 0.000 1.187 446 L CA -0.034 54.717 54.840 -0.148 0.000 0.895 446 L CB 0.385 42.368 42.059 -0.126 0.000 1.147 446 L HN 0.423 nan 8.230 nan 0.000 0.483 447 Q N 3.853 123.581 119.800 -0.120 0.000 2.681 447 Q HA 0.521 4.861 4.340 -0.000 0.000 0.222 447 Q C -0.420 175.513 176.000 -0.111 0.000 1.258 447 Q CA -0.295 55.441 55.803 -0.112 0.000 1.014 447 Q CB 0.972 29.654 28.738 -0.094 0.000 1.384 447 Q HN 0.705 nan 8.270 nan 0.000 0.570 448 A N 0.094 122.831 122.820 -0.137 0.000 2.539 448 A HA 0.692 5.012 4.320 -0.000 0.000 0.296 448 A C 0.865 178.322 177.584 -0.211 0.000 1.073 448 A CA -0.418 51.523 52.037 -0.159 0.000 0.700 448 A CB 1.238 20.145 19.000 -0.154 0.000 1.296 448 A HN 0.584 nan 8.150 nan 0.000 0.405 449 G N -0.077 108.571 108.800 -0.252 0.000 2.422 449 G HA2 0.275 4.235 3.960 -0.000 0.000 0.218 449 G HA3 0.275 4.235 3.960 -0.000 0.000 0.218 449 G C 0.508 175.206 174.900 -0.337 0.000 1.140 449 G CA 1.670 46.589 45.100 -0.302 0.000 0.775 449 G HN 0.817 nan 8.290 nan 0.000 0.545 450 T N -0.383 113.929 114.554 -0.404 0.000 2.881 450 T HA 0.522 4.872 4.350 -0.000 0.000 0.290 450 T C -1.197 173.109 174.700 -0.657 0.000 1.000 450 T CA -0.385 61.380 62.100 -0.559 0.000 0.978 450 T CB 2.762 71.211 68.868 -0.699 0.000 0.997 450 T HN -0.108 nan 8.240 nan 0.000 0.443 451 V N 3.783 123.349 119.914 -0.581 0.000 2.409 451 V HA 0.430 4.550 4.120 -0.000 0.000 0.290 451 V C -0.768 175.109 176.094 -0.361 0.000 1.017 451 V CA -1.023 61.036 62.300 -0.401 0.000 0.841 451 V CB 1.303 32.997 31.823 -0.215 0.000 1.003 451 V HN 0.771 nan 8.190 nan 0.000 0.426 452 W N 3.500 124.717 121.300 -0.138 0.000 2.376 452 W HA 0.661 5.321 4.660 -0.000 0.000 0.322 452 W C -0.518 175.915 176.519 -0.143 0.000 1.160 452 W CA -0.696 56.553 57.345 -0.160 0.000 1.218 452 W CB 1.859 31.186 29.460 -0.223 0.000 1.205 452 W HN 0.255 nan 8.180 nan 0.000 0.559 453 V N 4.435 124.386 119.914 0.061 0.000 2.409 453 V HA 0.124 4.244 4.120 -0.000 0.000 0.290 453 V C -0.043 175.934 176.094 -0.195 0.000 1.017 453 V CA -0.941 61.312 62.300 -0.079 0.000 0.841 453 V CB 1.130 32.936 31.823 -0.028 0.000 1.003 453 V HN 0.682 nan 8.190 nan 0.000 0.426 454 N N 2.130 120.475 118.700 -0.593 0.000 2.747 454 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 454 N C -0.322 175.045 175.510 -0.239 0.000 1.107 454 N CA 1.233 53.907 53.050 -0.626 0.000 0.707 454 N CB -1.279 37.193 38.487 -0.026 0.000 1.054 454 N HN 1.076 nan 8.380 nan 0.000 0.555 455 C N -4.484 114.575 119.300 -0.402 0.000 3.249 455 C HA 0.802 5.262 4.460 -0.000 0.000 0.350 455 C C -1.224 173.770 174.990 0.006 0.000 1.431 455 C CA -1.384 57.627 59.018 -0.011 0.000 1.209 455 C CB 1.606 29.353 27.740 0.012 0.000 1.546 455 C HN 0.274 nan 8.230 nan 0.000 0.450 456 Y N -0.139 119.933 120.300 -0.380 0.000 2.592 456 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 456 Y C -0.403 174.836 175.900 -1.102 0.000 1.136 456 Y CA 0.452 58.086 58.100 -0.776 0.000 1.042 456 Y CB 1.308 39.672 38.460 -0.160 0.000 1.325 456 Y HN 1.026 nan 8.280 nan 0.000 0.457 457 D N 1.767 120.827 120.400 -2.234 0.000 2.751 457 D HA -0.137 4.503 4.640 -0.000 0.000 0.233 457 D C -0.960 174.816 176.300 -0.873 0.000 1.149 457 D CA 0.986 54.244 54.000 -1.237 0.000 0.682 457 D CB -1.028 39.654 40.800 -0.197 0.000 1.068 457 D HN 0.156 nan 8.370 nan 0.000 0.429 458 V N 1.455 120.689 119.914 -1.133 0.000 2.320 458 V HA 0.348 4.468 4.120 -0.000 0.000 0.265 458 V C 0.402 176.376 176.094 -0.200 0.000 1.048 458 V CA -0.270 61.790 62.300 -0.399 0.000 0.865 458 V CB -0.013 31.667 31.823 -0.239 0.000 1.043 458 V HN -0.008 nan 8.190 nan 0.000 0.474 459 F N 2.172 122.169 119.950 0.079 0.000 2.523 459 F HA 0.873 5.400 4.527 -0.000 0.000 0.329 459 F C 0.789 176.591 175.800 0.004 0.000 1.061 459 F CA -0.681 57.357 58.000 0.064 0.000 0.967 459 F CB 2.081 41.093 39.000 0.019 0.000 1.218 459 F HN 0.480 nan 8.300 nan 0.000 0.480 460 G N -0.430 108.455 108.800 0.142 0.000 2.563 460 G HA2 0.527 4.487 3.960 -0.000 0.000 0.302 460 G HA3 0.527 4.487 3.960 -0.000 0.000 0.302 460 G C 0.050 174.858 174.900 -0.154 0.000 1.301 460 G CA -0.408 44.688 45.100 -0.006 0.000 0.965 460 G HN 0.866 nan 8.290 nan 0.000 0.480 461 A N 0.603 123.254 122.820 -0.282 0.000 2.019 461 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 461 A C 2.171 179.137 177.584 -1.030 0.000 1.164 461 A CA 2.028 53.738 52.037 -0.545 0.000 0.644 461 A CB -0.192 18.491 19.000 -0.528 0.000 0.805 461 A HN 0.641 nan 8.150 nan 0.000 0.449 462 Q N -0.280 118.982 119.800 -0.897 0.000 2.389 462 Q HA 0.116 4.456 4.340 -0.000 0.000 0.204 462 Q C 0.133 176.061 176.000 -0.119 0.000 0.944 462 Q CA 0.589 56.050 55.803 -0.569 0.000 0.908 462 Q CB -0.466 28.145 28.738 -0.211 0.000 1.002 462 Q HN 0.392 nan 8.270 nan 0.000 0.493 463 S N 3.519 119.155 115.700 -0.107 0.000 2.475 463 S HA 0.427 4.897 4.470 -0.000 0.000 0.281 463 S C -2.357 172.239 174.600 -0.007 0.000 1.198 463 S CA -1.050 57.143 58.200 -0.010 0.000 1.063 463 S CB 1.274 64.481 63.200 0.012 0.000 0.972 463 S HN 0.113 nan 8.310 nan 0.000 0.486 464 P HA 0.338 nan 4.420 nan 0.000 0.269 464 P C -0.794 176.526 177.300 0.033 0.000 1.215 464 P CA -0.133 62.942 63.100 -0.043 0.000 0.780 464 P CB 0.396 31.934 31.700 -0.271 0.000 0.898 478 G N 0.534 109.413 108.800 0.132 0.000 2.749 478 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 478 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 478 G C 0.393 175.427 174.900 0.224 0.000 1.364 478 G CA 0.772 46.030 45.100 0.263 0.000 0.888 478 G HN 0.992 nan 8.290 nan 0.000 0.566 479 E N -1.059 119.203 120.200 0.104 0.000 2.150 479 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 479 E C 2.142 178.517 176.600 -0.376 0.000 0.985 479 E CA 1.670 57.802 56.400 -0.446 0.000 0.814 479 E CB -0.152 29.336 29.700 -0.354 0.000 0.752 479 E HN 0.622 nan 8.360 nan 0.000 0.466 480 Y N -0.222 120.011 120.300 -0.112 0.000 2.333 480 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 480 Y C 2.405 178.249 175.900 -0.094 0.000 1.144 480 Y CA 1.065 59.114 58.100 -0.084 0.000 1.228 480 Y CB -0.638 37.798 38.460 -0.040 0.000 0.985 480 Y HN 0.156 nan 8.280 nan 0.000 0.542 481 G N -0.074 108.783 108.800 0.094 0.000 2.471 481 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 481 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 481 G C 1.521 176.432 174.900 0.018 0.000 1.125 481 G CA 0.773 45.922 45.100 0.082 0.000 0.775 481 G HN 0.397 nan 8.290 nan 0.000 0.548 482 L N -0.371 120.728 121.223 -0.206 0.000 2.240 482 L HA -0.019 4.321 4.340 -0.000 0.000 0.211 482 L C 2.982 179.689 176.870 -0.272 0.000 1.106 482 L CA 0.627 55.231 54.840 -0.392 0.000 0.793 482 L CB -0.453 40.973 42.059 -1.056 0.000 0.927 482 L HN 0.238 nan 8.230 nan 0.000 0.446 483 Q N 0.497 120.186 119.800 -0.186 0.000 2.135 483 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 483 Q C 2.410 178.371 176.000 -0.065 0.000 0.981 483 Q CA 1.658 57.434 55.803 -0.045 0.000 0.856 483 Q CB -0.291 28.443 28.738 -0.007 0.000 0.902 483 Q HN 0.572 nan 8.270 nan 0.000 0.425 484 A N -0.270 122.482 122.820 -0.114 0.000 2.119 484 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 484 A C 0.860 178.188 177.584 -0.427 0.000 1.153 484 A CA 0.761 52.637 52.037 -0.268 0.000 0.692 484 A CB -0.219 18.571 19.000 -0.350 0.000 0.799 484 A HN 0.398 nan 8.150 nan 0.000 0.458 485 Y N -0.289 119.972 120.300 -0.065 0.000 2.607 485 Y HA 0.258 4.808 4.550 -0.000 0.000 0.266 485 Y C 0.250 176.151 175.900 0.002 0.000 1.178 485 Y CA 0.026 58.100 58.100 -0.043 0.000 1.226 485 Y CB 0.540 38.961 38.460 -0.065 0.000 1.144 485 Y HN 0.061 nan 8.280 nan 0.000 0.528 486 T N 0.304 114.908 114.554 0.084 0.000 2.900 486 T HA 0.389 4.739 4.350 -0.000 0.000 0.295 486 T C -0.729 173.983 174.700 0.020 0.000 1.044 486 T CA -0.963 61.199 62.100 0.104 0.000 0.995 486 T CB 2.072 71.056 68.868 0.193 0.000 1.072 486 T HN -0.078 nan 8.240 nan 0.000 0.473 487 K N 1.524 121.946 120.400 0.037 0.000 2.207 487 K HA 0.706 5.026 4.320 -0.000 0.000 0.255 487 K C -1.070 175.522 176.600 -0.014 0.000 0.941 487 K CA -0.754 55.537 56.287 0.007 0.000 0.825 487 K CB 1.888 34.415 32.500 0.045 0.000 1.119 487 K HN 0.262 nan 8.250 nan 0.000 0.430 488 V N 3.714 123.601 119.914 -0.045 0.000 2.370 488 V HA 0.253 4.373 4.120 -0.000 0.000 0.279 488 V C -0.235 175.859 176.094 -0.000 0.000 1.029 488 V CA -0.621 61.659 62.300 -0.033 0.000 0.870 488 V CB 1.192 32.966 31.823 -0.081 0.000 0.984 488 V HN 0.623 nan 8.190 nan 0.000 0.451 489 K N 3.318 123.734 120.400 0.027 0.000 2.274 489 K HA 0.556 4.876 4.320 -0.000 0.000 0.262 489 K C -0.632 175.929 176.600 -0.065 0.000 0.961 489 K CA -0.341 55.937 56.287 -0.015 0.000 0.833 489 K CB 1.505 34.004 32.500 -0.001 0.000 1.102 489 K HN 0.681 nan 8.250 nan 0.000 0.436 490 T N 2.845 117.328 114.554 -0.117 0.000 2.795 490 T HA 0.328 4.678 4.350 -0.000 0.000 0.282 490 T C -0.775 173.738 174.700 -0.312 0.000 0.980 490 T CA -0.571 61.406 62.100 -0.206 0.000 1.012 490 T CB 1.357 70.129 68.868 -0.161 0.000 0.936 490 T HN 0.292 nan 8.240 nan 0.000 0.457 491 V N 3.682 123.248 119.914 -0.580 0.000 2.409 491 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 491 V C 0.042 175.761 176.094 -0.625 0.000 1.020 491 V CA -0.708 61.199 62.300 -0.654 0.000 0.848 491 V CB 1.808 33.029 31.823 -1.003 0.000 0.990 491 V HN 0.965 nan 8.190 nan 0.000 0.430 492 T N 4.632 118.988 114.554 -0.330 0.000 2.833 492 T HA 0.534 4.884 4.350 -0.000 0.000 0.297 492 T C -0.369 174.312 174.700 -0.031 0.000 1.015 492 T CA -0.324 61.657 62.100 -0.199 0.000 0.963 492 T CB 1.364 70.109 68.868 -0.204 0.000 0.955 492 T HN 0.341 nan 8.240 nan 0.000 0.449 493 V N 3.973 123.940 119.914 0.088 0.000 2.435 493 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 493 V C 0.438 176.736 176.094 0.339 0.000 1.030 493 V CA -1.151 61.275 62.300 0.211 0.000 0.881 493 V CB 1.657 33.634 31.823 0.257 0.000 0.983 493 V HN 0.733 nan 8.190 nan 0.000 0.445 494 K N 4.053 124.619 120.400 0.277 0.000 2.379 494 K HA 0.464 4.784 4.320 -0.000 0.000 0.284 494 K C -0.512 176.096 176.600 0.013 0.000 1.044 494 K CA -0.224 56.123 56.287 0.100 0.000 0.974 494 K CB 0.910 33.457 32.500 0.078 0.000 0.962 494 K HN 0.684 nan 8.250 nan 0.000 0.474 495 V N 1.917 121.771 119.914 -0.101 0.000 3.001 495 V HA 0.439 4.559 4.120 -0.000 0.000 0.314 495 V C -2.136 173.894 176.094 -0.106 0.000 1.099 495 V CA -1.998 60.271 62.300 -0.051 0.000 0.989 495 V CB 1.272 33.097 31.823 0.003 0.000 1.040 495 V HN 0.682 nan 8.190 nan 0.000 0.434 496 P HA -0.127 nan 4.420 nan 0.000 0.205 496 P C -0.093 177.157 177.300 -0.084 0.000 1.164 496 P CA 1.382 64.440 63.100 -0.069 0.000 0.938 496 P CB 0.104 31.775 31.700 -0.048 0.000 0.777 497 Q N -0.755 119.003 119.800 -0.069 0.000 2.295 497 Q HA 0.183 4.523 4.340 -0.000 0.000 0.259 497 Q C -0.865 175.103 176.000 -0.053 0.000 0.966 497 Q CA -0.712 55.052 55.803 -0.065 0.000 0.763 497 Q CB 1.060 29.768 28.738 -0.049 0.000 1.283 497 Q HN -0.094 nan 8.270 nan 0.000 0.445 498 K N 3.596 123.965 120.400 -0.051 0.000 2.401 498 K HA 0.186 4.506 4.320 -0.000 0.000 0.278 498 K C -0.869 175.721 176.600 -0.017 0.000 1.018 498 K CA 0.279 56.551 56.287 -0.025 0.000 0.981 498 K CB 0.584 33.085 32.500 0.002 0.000 0.933 498 K HN 0.626 nan 8.250 nan 0.000 0.477 499 N N 1.260 119.950 118.700 -0.016 0.000 2.229 499 N HA 0.107 4.847 4.740 -0.000 0.000 0.298 499 N C -0.804 174.701 175.510 -0.007 0.000 1.114 499 N CA -0.531 52.511 53.050 -0.014 0.000 0.776 499 N CB 1.988 40.462 38.487 -0.023 0.000 1.501 499 N HN 0.727 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.698 115.700 -0.003 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.202 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517