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 2ono_1_C DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.592 177.584 0.013 0.000 1.274 7 A CA 0.000 52.070 52.037 0.054 0.000 0.836 7 A CB 0.000 19.030 19.000 0.050 0.000 0.831 8 V N 3.436 123.310 119.914 -0.067 0.000 2.432 8 V HA 0.458 4.576 4.120 -0.003 0.000 0.271 8 V C -1.818 174.164 176.094 -0.188 0.000 1.046 8 V CA -1.035 61.100 62.300 -0.275 0.000 0.945 8 V CB 0.611 32.313 31.823 -0.201 0.000 0.992 8 V HN 0.800 nan 8.190 nan 0.000 0.471 9 P HA 0.401 nan 4.420 nan 0.000 0.275 9 P C -0.203 177.115 177.300 0.030 0.000 1.227 9 P CA -0.261 62.793 63.100 -0.077 0.000 0.781 9 P CB 0.657 32.331 31.700 -0.044 0.000 0.906 10 A N 4.732 127.567 122.820 0.025 0.000 2.540 10 A HA 0.340 4.658 4.320 -0.003 0.000 0.239 10 A C -1.722 175.820 177.584 -0.070 0.000 1.061 10 A CA -0.568 51.471 52.037 0.004 0.000 0.758 10 A CB -1.131 17.855 19.000 -0.024 0.000 0.991 10 A HN 0.460 nan 8.150 nan 0.000 0.502 11 P HA 0.164 nan 4.420 nan 0.000 0.278 11 P C -0.751 176.330 177.300 -0.365 0.000 1.258 11 P CA -0.835 61.946 63.100 -0.533 0.000 0.811 11 P CB 0.648 31.542 31.700 -1.345 0.000 1.063 12 N N 1.313 119.841 118.700 -0.286 0.000 2.415 12 N HA 0.006 4.745 4.740 -0.003 0.000 0.250 12 N C 1.018 176.230 175.510 -0.497 0.000 1.127 12 N CA 0.200 53.094 53.050 -0.260 0.000 0.945 12 N CB 0.214 38.652 38.487 -0.082 0.000 1.196 12 N HN 0.223 nan 8.380 nan 0.000 0.499 13 Q N 1.872 121.279 119.800 -0.655 0.000 2.364 13 Q HA -0.105 4.233 4.340 -0.003 0.000 0.207 13 Q C -0.192 175.424 176.000 -0.640 0.000 0.970 13 Q CA 1.055 56.192 55.803 -1.111 0.000 0.888 13 Q CB 0.234 28.507 28.738 -0.775 0.000 0.951 13 Q HN 0.646 nan 8.270 nan 0.000 0.469 14 Q N 0.656 120.255 119.800 -0.335 0.000 2.831 14 Q HA 0.216 4.554 4.340 -0.003 0.000 0.366 14 Q C -2.408 173.527 176.000 -0.109 0.000 0.899 14 Q CA -1.418 54.281 55.803 -0.173 0.000 0.987 14 Q CB 1.333 29.992 28.738 -0.131 0.000 1.382 14 Q HN 0.094 nan 8.270 nan 0.000 0.403 15 P HA -0.070 nan 4.420 nan 0.000 0.268 15 P C -0.324 176.976 177.300 0.001 0.000 1.205 15 P CA -0.062 63.054 63.100 0.026 0.000 0.771 15 P CB 0.984 32.693 31.700 0.014 0.000 0.858 16 E N 1.878 122.070 120.200 -0.013 0.000 2.354 16 E HA 0.233 4.581 4.350 -0.003 0.000 0.269 16 E C -0.895 175.443 176.600 -0.436 0.000 1.036 16 E CA -0.727 55.488 56.400 -0.309 0.000 0.876 16 E CB 0.616 29.994 29.700 -0.536 0.000 1.009 16 E HN 0.118 nan 8.360 nan 0.000 0.416 17 V N 6.145 125.800 119.914 -0.432 0.000 2.406 17 V HA 0.128 4.246 4.120 -0.003 0.000 0.272 17 V C 0.007 175.841 176.094 -0.434 0.000 1.043 17 V CA -0.092 62.036 62.300 -0.287 0.000 0.915 17 V CB 0.531 32.263 31.823 -0.152 0.000 0.988 17 V HN 0.739 nan 8.190 nan 0.000 0.466 18 F N 1.677 121.690 119.950 0.105 0.000 2.717 18 F HA 0.279 4.804 4.527 -0.003 0.000 0.297 18 F C 0.973 176.717 175.800 -0.093 0.000 1.113 18 F CA -0.097 57.931 58.000 0.045 0.000 1.319 18 F CB 0.344 39.435 39.000 0.151 0.000 1.097 18 F HN 0.373 nan 8.300 nan 0.000 0.595 19 C N 1.738 121.062 119.300 0.039 0.000 2.408 19 C HA 0.471 4.929 4.460 -0.003 0.000 0.321 19 C C 0.407 175.200 174.990 -0.327 0.000 1.245 19 C CA -0.739 58.056 59.018 -0.373 0.000 1.523 19 C CB 0.920 28.455 27.740 -0.342 0.000 2.178 19 C HN 0.563 nan 8.230 nan 0.000 0.488 20 N N 0.733 119.157 118.700 -0.460 0.000 2.127 20 N HA 0.039 4.777 4.740 -0.003 0.000 0.229 20 N C -0.426 174.968 175.510 -0.192 0.000 1.374 20 N CA -0.253 52.643 53.050 -0.257 0.000 0.763 20 N CB -0.033 38.332 38.487 -0.203 0.000 1.269 20 N HN 0.801 nan 8.380 nan 0.000 0.516 21 Q N -0.062 119.621 119.800 -0.195 0.000 3.226 21 Q HA 0.584 4.923 4.340 -0.003 0.000 0.276 21 Q C -0.589 175.742 176.000 0.552 0.000 1.029 21 Q CA -0.976 54.924 55.803 0.162 0.000 0.854 21 Q CB 1.718 30.600 28.738 0.239 0.000 1.567 21 Q HN 0.091 nan 8.270 nan 0.000 0.481 22 I N 1.151 122.056 120.570 0.558 0.000 2.353 22 I HA 0.206 4.374 4.170 -0.003 0.000 0.293 22 I C -0.934 175.409 176.117 0.376 0.000 0.992 22 I CA -0.288 61.278 61.300 0.443 0.000 1.268 22 I CB 0.651 38.792 38.000 0.235 0.000 1.387 22 I HN 0.360 nan 8.210 nan 0.000 0.478 23 F N 8.119 128.025 119.950 -0.073 0.000 2.361 23 F HA 0.576 5.101 4.527 -0.003 0.000 0.364 23 F C -0.422 175.208 175.800 -0.283 0.000 1.120 23 F CA -0.334 57.349 58.000 -0.529 0.000 1.102 23 F CB 0.370 38.916 39.000 -0.757 0.000 1.183 23 F HN 0.177 nan 8.300 nan 0.000 0.476 24 I N 5.612 125.852 120.570 -0.550 0.000 2.569 24 I HA 0.197 4.365 4.170 -0.003 0.000 0.290 24 I C -0.291 175.540 176.117 -0.476 0.000 1.088 24 I CA -1.022 60.023 61.300 -0.425 0.000 1.047 24 I CB 1.810 39.571 38.000 -0.398 0.000 1.237 24 I HN 0.488 nan 8.210 nan 0.000 0.421 25 N N 4.726 123.206 118.700 -0.367 0.000 2.721 25 N HA -0.255 4.483 4.740 -0.003 0.000 0.249 25 N C -0.047 175.232 175.510 -0.386 0.000 1.072 25 N CA 1.374 54.260 53.050 -0.273 0.000 0.710 25 N CB -1.092 37.298 38.487 -0.162 0.000 0.993 25 N HN 0.940 nan 8.380 nan 0.000 0.547 26 N N -1.642 116.594 118.700 -0.774 0.000 2.776 26 N HA -0.222 4.516 4.740 -0.003 0.000 0.250 26 N C -0.946 174.075 175.510 -0.815 0.000 1.112 26 N CA 0.937 53.479 53.050 -0.847 0.000 0.733 26 N CB -0.531 37.836 38.487 -0.200 0.000 1.097 26 N HN 0.574 nan 8.380 nan 0.000 0.558 27 E N -0.618 119.024 120.200 -0.930 0.000 2.266 27 E HA 0.364 4.712 4.350 -0.003 0.000 0.268 27 E C -1.093 175.200 176.600 -0.512 0.000 0.879 27 E CA -0.617 55.481 56.400 -0.502 0.000 0.762 27 E CB 1.274 30.906 29.700 -0.114 0.000 1.199 27 E HN 0.143 nan 8.360 nan 0.000 0.422 28 W N 2.802 124.001 121.300 -0.168 0.000 2.335 28 W HA 0.285 4.943 4.660 -0.003 0.000 0.307 28 W C 0.242 176.647 176.519 -0.190 0.000 1.117 28 W CA -0.333 56.994 57.345 -0.029 0.000 1.228 28 W CB 0.784 30.264 29.460 0.033 0.000 1.240 28 W HN 0.331 nan 8.180 nan 0.000 0.468 29 H N 1.784 120.999 119.070 0.241 0.000 2.679 29 H HA 0.225 4.780 4.556 -0.003 0.000 0.367 29 H C -0.629 174.783 175.328 0.140 0.000 1.162 29 H CA -1.070 55.057 56.048 0.132 0.000 1.181 29 H CB 1.963 31.755 29.762 0.050 0.000 1.693 29 H HN 0.203 nan 8.280 nan 0.000 0.538 30 D N 0.681 121.202 120.400 0.203 0.000 2.313 30 D HA 0.242 4.880 4.640 -0.003 0.000 0.247 30 D C 0.308 176.684 176.300 0.127 0.000 1.094 30 D CA -0.350 53.730 54.000 0.133 0.000 0.925 30 D CB 1.255 42.105 40.800 0.083 0.000 1.188 30 D HN 0.604 nan 8.370 nan 0.000 0.430 31 A N 1.223 124.100 122.820 0.096 0.000 2.555 31 A HA 0.026 4.344 4.320 -0.003 0.000 0.233 31 A C 1.616 179.242 177.584 0.070 0.000 1.060 31 A CA -0.344 51.742 52.037 0.082 0.000 0.759 31 A CB 0.247 19.292 19.000 0.075 0.000 0.995 31 A HN 0.445 nan 8.150 nan 0.000 0.506 32 V N 2.408 122.358 119.914 0.059 0.000 2.380 32 V HA -0.267 3.851 4.120 -0.003 0.000 0.251 32 V C 2.730 178.852 176.094 0.047 0.000 1.063 32 V CA 2.796 65.125 62.300 0.049 0.000 1.055 32 V CB -0.936 30.909 31.823 0.037 0.000 0.657 32 V HN 1.153 nan 8.190 nan 0.000 0.455 33 S N -0.938 114.792 115.700 0.050 0.000 2.522 33 S HA -0.100 4.368 4.470 -0.003 0.000 0.227 33 S C 1.304 175.934 174.600 0.050 0.000 0.986 33 S CA 0.549 58.779 58.200 0.050 0.000 0.929 33 S CB -0.150 63.085 63.200 0.057 0.000 0.769 33 S HN 0.454 nan 8.310 nan 0.000 0.529 34 R N 0.160 120.691 120.500 0.053 0.000 3.951 34 R HA -0.087 4.252 4.340 -0.003 0.000 0.352 34 R C -0.687 175.641 176.300 0.048 0.000 1.178 34 R CA 1.102 57.230 56.100 0.047 0.000 0.949 34 R CB -2.525 27.798 30.300 0.039 0.000 1.452 34 R HN 0.606 nan 8.270 nan 0.000 0.540 35 K N 0.603 121.041 120.400 0.063 0.000 2.185 35 K HA 0.433 4.752 4.320 -0.003 0.000 0.271 35 K C 0.649 177.296 176.600 0.078 0.000 1.013 35 K CA 0.424 56.760 56.287 0.081 0.000 0.943 35 K CB 1.093 33.659 32.500 0.110 0.000 0.998 35 K HN 0.264 nan 8.250 nan 0.000 0.468 36 T N -0.913 113.688 114.554 0.077 0.000 2.901 36 T HA 0.708 5.056 4.350 -0.003 0.000 0.293 36 T C -0.735 174.046 174.700 0.135 0.000 1.084 36 T CA -1.001 61.105 62.100 0.010 0.000 1.008 36 T CB 0.733 69.558 68.868 -0.072 0.000 1.170 36 T HN 0.458 nan 8.240 nan 0.000 0.509 37 F N -0.990 118.991 119.950 0.050 0.000 2.588 37 F HA 0.869 5.395 4.527 -0.003 0.000 0.314 37 F C -3.107 172.743 175.800 0.083 0.000 1.069 37 F CA -3.049 55.024 58.000 0.120 0.000 0.931 37 F CB 1.352 40.505 39.000 0.255 0.000 1.260 37 F HN 0.390 nan 8.300 nan 0.000 0.465 38 P HA 0.189 nan 4.420 nan 0.000 0.290 38 P C -0.810 176.629 177.300 0.231 0.000 1.276 38 P CA -0.165 63.018 63.100 0.139 0.000 0.808 38 P CB 1.859 33.627 31.700 0.113 0.000 0.966 39 T N 2.231 116.865 114.554 0.133 0.000 2.795 39 T HA 0.386 4.734 4.350 -0.003 0.000 0.282 39 T C -0.453 174.299 174.700 0.087 0.000 0.980 39 T CA -0.465 61.726 62.100 0.151 0.000 1.012 39 T CB 0.246 69.185 68.868 0.118 0.000 0.936 39 T HN 0.067 nan 8.240 nan 0.000 0.457 40 V N 5.771 125.736 119.914 0.085 0.000 2.532 40 V HA 0.396 4.514 4.120 -0.003 0.000 0.295 40 V C 0.550 176.669 176.094 0.042 0.000 1.041 40 V CA -1.041 61.296 62.300 0.062 0.000 0.926 40 V CB 1.625 33.500 31.823 0.086 0.000 0.992 40 V HN 0.956 nan 8.190 nan 0.000 0.457 41 N N 5.480 124.191 118.700 0.018 0.000 2.401 41 N HA 0.229 4.967 4.740 -0.003 0.000 0.255 41 N C -1.684 173.799 175.510 -0.044 0.000 1.110 41 N CA -1.400 51.649 53.050 -0.002 0.000 0.949 41 N CB 1.350 39.840 38.487 0.005 0.000 1.110 41 N HN 0.411 nan 8.380 nan 0.000 0.490 42 P HA 0.009 nan 4.420 nan 0.000 0.236 42 P C 0.440 177.557 177.300 -0.306 0.000 1.177 42 P CA 0.644 63.678 63.100 -0.110 0.000 0.773 42 P CB 0.469 32.155 31.700 -0.023 0.000 0.878 43 S N -0.594 115.017 115.700 -0.149 0.000 2.439 43 S HA -0.022 4.446 4.470 -0.003 0.000 0.224 43 S C 1.783 176.442 174.600 0.098 0.000 1.029 43 S CA 1.642 59.876 58.200 0.057 0.000 0.946 43 S CB -0.469 62.833 63.200 0.170 0.000 0.797 43 S HN 0.402 nan 8.310 nan 0.000 0.504 44 T N -2.693 111.843 114.554 -0.030 0.000 2.990 44 T HA 0.425 4.773 4.350 -0.003 0.000 0.249 44 T C 1.580 176.198 174.700 -0.136 0.000 1.039 44 T CA 0.872 62.941 62.100 -0.051 0.000 1.036 44 T CB 0.266 69.123 68.868 -0.019 0.000 0.994 44 T HN 0.467 nan 8.240 nan 0.000 0.489 45 G N 1.520 110.195 108.800 -0.209 0.000 2.179 45 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.260 45 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.260 45 G C -0.123 174.726 174.900 -0.084 0.000 0.977 45 G CA 0.152 45.108 45.100 -0.241 0.000 0.641 45 G HN 0.600 nan 8.290 nan 0.000 0.533 46 E N -0.060 120.106 120.200 -0.056 0.000 2.318 46 E HA 0.494 4.843 4.350 -0.003 0.000 0.265 46 E C 0.623 177.221 176.600 -0.003 0.000 1.069 46 E CA -0.732 55.654 56.400 -0.024 0.000 0.893 46 E CB 1.675 31.361 29.700 -0.023 0.000 1.076 46 E HN 0.142 nan 8.360 nan 0.000 0.414 47 V N 3.590 123.507 119.914 0.005 0.000 2.479 47 V HA -0.014 4.104 4.120 -0.003 0.000 0.281 47 V C 1.712 177.807 176.094 0.002 0.000 1.031 47 V CA 0.349 62.658 62.300 0.015 0.000 1.038 47 V CB 0.002 31.835 31.823 0.017 0.000 0.981 47 V HN 0.607 nan 8.190 nan 0.000 0.478 48 I N 4.146 124.719 120.570 0.005 0.000 2.235 48 I HA -0.008 4.160 4.170 -0.003 0.000 0.241 48 I C 1.034 177.133 176.117 -0.030 0.000 1.085 48 I CA 1.452 62.746 61.300 -0.010 0.000 1.378 48 I CB 0.178 38.177 38.000 -0.002 0.000 1.076 48 I HN 0.881 nan 8.210 nan 0.000 0.415 49 C N -2.229 117.050 119.300 -0.035 0.000 3.259 49 C HA 0.496 4.954 4.460 -0.003 0.000 0.344 49 C C -0.828 174.111 174.990 -0.085 0.000 1.401 49 C CA -1.169 57.811 59.018 -0.062 0.000 1.219 49 C CB 1.084 28.774 27.740 -0.084 0.000 1.521 49 C HN 0.176 nan 8.230 nan 0.000 0.455 50 Q N 0.448 120.182 119.800 -0.110 0.000 2.293 50 Q HA 0.775 5.113 4.340 -0.003 0.000 0.251 50 Q C -0.632 175.204 176.000 -0.273 0.000 0.930 50 Q CA -0.101 55.605 55.803 -0.162 0.000 0.893 50 Q CB 1.376 30.049 28.738 -0.109 0.000 1.215 50 Q HN 0.776 nan 8.270 nan 0.000 0.425 51 V N 1.900 121.507 119.914 -0.511 0.000 2.841 51 V HA 0.687 4.806 4.120 -0.003 0.000 0.310 51 V C -0.701 174.989 176.094 -0.673 0.000 1.090 51 V CA -1.265 60.654 62.300 -0.635 0.000 0.930 51 V CB 1.924 33.249 31.823 -0.831 0.000 1.014 51 V HN 0.928 nan 8.190 nan 0.000 0.425 52 A N 2.639 125.281 122.820 -0.297 0.000 2.567 52 A HA 0.216 4.534 4.320 -0.003 0.000 0.240 52 A C 0.358 177.945 177.584 0.004 0.000 1.053 52 A CA 0.358 52.337 52.037 -0.097 0.000 0.755 52 A CB -0.110 18.911 19.000 0.035 0.000 0.978 52 A HN 0.926 nan 8.150 nan 0.000 0.507 53 E N 3.099 123.370 120.200 0.118 0.000 2.042 53 E HA 0.409 4.757 4.350 -0.003 0.000 0.260 53 E C 0.555 177.212 176.600 0.095 0.000 0.975 53 E CA -0.337 56.203 56.400 0.234 0.000 0.799 53 E CB 0.250 30.116 29.700 0.278 0.000 1.131 53 E HN 0.800 nan 8.360 nan 0.000 0.423 54 G N 3.345 112.189 108.800 0.074 0.000 2.483 54 G HA2 0.050 4.008 3.960 -0.003 0.000 0.248 54 G HA3 0.050 4.008 3.960 -0.003 0.000 0.248 54 G C -0.384 174.529 174.900 0.022 0.000 1.248 54 G CA -0.285 44.846 45.100 0.051 0.000 0.838 54 G HN 0.602 nan 8.290 nan 0.000 0.566 55 D N 0.073 120.495 120.400 0.036 0.000 2.758 55 D HA 0.212 4.850 4.640 -0.003 0.000 0.262 55 D C 1.337 177.658 176.300 0.036 0.000 1.113 55 D CA -0.803 53.220 54.000 0.037 0.000 1.114 55 D CB 1.819 42.647 40.800 0.046 0.000 1.363 55 D HN 0.262 nan 8.370 nan 0.000 0.617 56 K N 0.288 120.709 120.400 0.034 0.000 2.074 56 K HA -0.189 4.129 4.320 -0.003 0.000 0.209 56 K C 1.735 178.358 176.600 0.038 0.000 1.048 56 K CA 1.719 58.026 56.287 0.034 0.000 0.926 56 K CB 0.057 32.567 32.500 0.018 0.000 0.713 56 K HN 0.294 nan 8.250 nan 0.000 0.444 57 E N 0.158 120.376 120.200 0.030 0.000 2.077 57 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 57 E C 1.646 178.260 176.600 0.024 0.000 0.989 57 E CA 1.510 57.926 56.400 0.026 0.000 0.800 57 E CB 0.042 29.756 29.700 0.022 0.000 0.746 57 E HN 0.400 nan 8.360 nan 0.000 0.452 58 D N 0.099 120.513 120.400 0.024 0.000 2.178 58 D HA -0.122 4.516 4.640 -0.003 0.000 0.202 58 D C 2.041 178.345 176.300 0.007 0.000 0.974 58 D CA 0.764 54.771 54.000 0.012 0.000 0.841 58 D CB 0.019 40.837 40.800 0.029 0.000 0.953 58 D HN 0.082 nan 8.370 nan 0.000 0.478 59 V N 1.797 121.729 119.914 0.030 0.000 2.358 59 V HA -0.203 3.915 4.120 -0.003 0.000 0.246 59 V C 1.856 177.981 176.094 0.052 0.000 1.047 59 V CA 1.679 64.001 62.300 0.037 0.000 1.035 59 V CB -0.374 31.489 31.823 0.066 0.000 0.658 59 V HN -0.011 nan 8.190 nan 0.000 0.452 60 D N -0.034 120.427 120.400 0.103 0.000 2.117 60 D HA -0.161 4.477 4.640 -0.003 0.000 0.197 60 D C 2.219 178.557 176.300 0.063 0.000 0.987 60 D CA 1.201 55.303 54.000 0.170 0.000 0.829 60 D CB -0.208 40.670 40.800 0.131 0.000 0.961 60 D HN 0.365 nan 8.370 nan 0.000 0.460 61 K N 0.356 120.760 120.400 0.006 0.000 2.009 61 K HA -0.113 4.205 4.320 -0.003 0.000 0.210 61 K C 2.119 178.672 176.600 -0.079 0.000 1.049 61 K CA 1.414 57.672 56.287 -0.048 0.000 0.929 61 K CB -0.184 32.262 32.500 -0.089 0.000 0.714 61 K HN 0.061 nan 8.250 nan 0.000 0.440 62 A N 0.661 123.430 122.820 -0.085 0.000 1.908 62 A HA -0.144 4.175 4.320 -0.003 0.000 0.218 62 A C 2.328 179.846 177.584 -0.110 0.000 1.181 62 A CA 1.601 53.577 52.037 -0.102 0.000 0.627 62 A CB -0.708 18.245 19.000 -0.078 0.000 0.818 62 A HN 0.116 nan 8.150 nan 0.000 0.445 63 V N 0.167 119.999 119.914 -0.137 0.000 2.343 63 V HA -0.281 3.837 4.120 -0.003 0.000 0.247 63 V C 2.463 178.471 176.094 -0.143 0.000 1.051 63 V CA 2.389 64.551 62.300 -0.230 0.000 1.036 63 V CB -0.634 30.846 31.823 -0.572 0.000 0.654 63 V HN 0.564 nan 8.190 nan 0.000 0.451 64 K N 0.202 120.557 120.400 -0.075 0.000 2.057 64 K HA -0.077 4.241 4.320 -0.003 0.000 0.206 64 K C 2.298 178.881 176.600 -0.029 0.000 1.050 64 K CA 1.392 57.663 56.287 -0.027 0.000 0.935 64 K CB -0.390 32.111 32.500 0.001 0.000 0.715 64 K HN 0.466 nan 8.250 nan 0.000 0.439 65 A N 1.633 124.420 122.820 -0.054 0.000 1.933 65 A HA -0.093 4.225 4.320 -0.003 0.000 0.218 65 A C 2.364 179.924 177.584 -0.040 0.000 1.175 65 A CA 1.738 53.742 52.037 -0.056 0.000 0.628 65 A CB -0.578 18.363 19.000 -0.099 0.000 0.814 65 A HN 0.325 nan 8.150 nan 0.000 0.444 66 A N -0.016 122.770 122.820 -0.057 0.000 1.858 66 A HA -0.140 4.178 4.320 -0.003 0.000 0.216 66 A C 2.171 179.771 177.584 0.027 0.000 1.190 66 A CA 2.088 54.100 52.037 -0.042 0.000 0.617 66 A CB -0.493 18.455 19.000 -0.088 0.000 0.827 66 A HN 0.438 nan 8.150 nan 0.000 0.443 67 R N 0.352 120.858 120.500 0.011 0.000 2.117 67 R HA -0.110 4.228 4.340 -0.003 0.000 0.243 67 R C 2.074 178.455 176.300 0.134 0.000 1.143 67 R CA 2.079 58.226 56.100 0.079 0.000 0.968 67 R CB -0.968 29.356 30.300 0.040 0.000 0.863 67 R HN 0.424 nan 8.270 nan 0.000 0.444 68 A N -0.106 122.761 122.820 0.079 0.000 1.933 68 A HA -0.001 4.317 4.320 -0.003 0.000 0.218 68 A C 2.300 179.946 177.584 0.104 0.000 1.175 68 A CA 1.691 53.773 52.037 0.075 0.000 0.628 68 A CB -0.904 18.118 19.000 0.037 0.000 0.814 68 A HN 0.472 nan 8.150 nan 0.000 0.444 69 A N -2.288 120.601 122.820 0.115 0.000 2.119 69 A HA 0.141 4.460 4.320 -0.003 0.000 0.217 69 A C 1.706 179.450 177.584 0.266 0.000 1.153 69 A CA 1.067 53.193 52.037 0.149 0.000 0.692 69 A CB -0.501 18.547 19.000 0.080 0.000 0.799 69 A HN 0.562 nan 8.150 nan 0.000 0.458 70 F N 0.321 120.343 119.950 0.119 0.000 2.765 70 F HA 0.191 4.716 4.527 -0.003 0.000 0.302 70 F C 0.649 176.518 175.800 0.116 0.000 1.111 70 F CA -0.155 57.941 58.000 0.159 0.000 1.359 70 F CB 0.204 39.279 39.000 0.125 0.000 1.097 70 F HN 0.087 nan 8.300 nan 0.000 0.577 71 Q N 1.758 121.626 119.800 0.115 0.000 2.300 71 Q HA 0.021 4.359 4.340 -0.003 0.000 0.280 71 Q C -0.215 175.758 176.000 -0.046 0.000 1.033 71 Q CA -0.065 55.764 55.803 0.044 0.000 0.903 71 Q CB 0.769 29.543 28.738 0.061 0.000 1.195 71 Q HN 0.230 nan 8.270 nan 0.000 0.386 72 L N 1.853 123.038 121.223 -0.063 0.000 2.601 72 L HA 0.105 4.443 4.340 -0.003 0.000 0.277 72 L C 1.254 178.098 176.870 -0.044 0.000 1.219 72 L CA 2.134 56.925 54.840 -0.083 0.000 0.915 72 L CB 0.083 42.111 42.059 -0.052 0.000 1.160 72 L HN 0.934 nan 8.230 nan 0.000 0.494 73 G N 1.899 110.668 108.800 -0.051 0.000 2.175 73 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.244 73 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.244 73 G C 0.324 175.220 174.900 -0.007 0.000 0.982 73 G CA 0.303 45.388 45.100 -0.025 0.000 0.641 73 G HN 1.083 nan 8.290 nan 0.000 0.527 74 S N 0.343 116.042 115.700 -0.001 0.000 2.600 74 S HA 0.597 5.066 4.470 -0.003 0.000 0.265 74 S C -0.493 174.144 174.600 0.063 0.000 1.325 74 S CA -0.286 57.940 58.200 0.044 0.000 1.002 74 S CB 2.004 65.251 63.200 0.079 0.000 0.921 74 S HN -0.018 nan 8.310 nan 0.000 0.554 75 P HA -0.147 nan 4.420 nan 0.000 0.216 75 P C 1.270 178.683 177.300 0.189 0.000 1.157 75 P CA 1.432 64.606 63.100 0.123 0.000 0.880 75 P CB -0.156 31.631 31.700 0.146 0.000 0.791 76 W N -0.076 121.251 121.300 0.045 0.000 2.425 76 W HA -0.121 4.537 4.660 -0.003 0.000 0.277 76 W C 1.544 178.079 176.519 0.027 0.000 1.231 76 W CA 0.703 58.090 57.345 0.070 0.000 1.248 76 W CB -0.059 29.468 29.460 0.112 0.000 1.117 76 W HN -0.131 nan 8.180 nan 0.000 0.568 77 R N 0.254 120.740 120.500 -0.024 0.000 2.127 77 R HA 0.004 4.342 4.340 -0.003 0.000 0.217 77 R C 2.080 178.281 176.300 -0.164 0.000 1.074 77 R CA 0.786 56.772 56.100 -0.191 0.000 0.991 77 R CB -0.636 29.544 30.300 -0.200 0.000 0.895 77 R HN 0.291 nan 8.270 nan 0.000 0.450 78 R N 0.028 120.473 120.500 -0.092 0.000 2.161 78 R HA 0.140 4.478 4.340 -0.003 0.000 0.213 78 R C 1.032 177.278 176.300 -0.089 0.000 1.055 78 R CA -0.163 55.892 56.100 -0.075 0.000 0.996 78 R CB -0.139 30.137 30.300 -0.040 0.000 0.901 78 R HN 0.088 nan 8.270 nan 0.000 0.456 79 M N 2.517 122.057 119.600 -0.101 0.000 2.255 79 M HA -0.090 4.388 4.480 -0.003 0.000 0.356 79 M C -0.751 175.482 176.300 -0.112 0.000 1.338 79 M CA 0.634 55.880 55.300 -0.091 0.000 0.962 79 M CB 0.451 32.987 32.600 -0.107 0.000 1.877 79 M HN -0.082 nan 8.290 nan 0.000 0.463 80 D N 4.491 124.860 120.400 -0.052 0.000 2.443 80 D HA 0.080 4.718 4.640 -0.003 0.000 0.239 80 D C 0.864 177.149 176.300 -0.025 0.000 1.136 80 D CA 0.699 54.681 54.000 -0.030 0.000 0.879 80 D CB 1.070 41.869 40.800 -0.002 0.000 1.195 80 D HN 0.806 nan 8.370 nan 0.000 0.443 81 A N 2.422 125.222 122.820 -0.033 0.000 1.940 81 A HA -0.215 4.104 4.320 -0.003 0.000 0.219 81 A C 2.117 179.710 177.584 0.014 0.000 1.176 81 A CA 2.132 54.154 52.037 -0.025 0.000 0.631 81 A CB -0.522 18.485 19.000 0.012 0.000 0.814 81 A HN 0.595 nan 8.150 nan 0.000 0.446 82 S N -1.144 114.577 115.700 0.035 0.000 2.402 82 S HA -0.229 4.239 4.470 -0.003 0.000 0.229 82 S C 1.841 176.479 174.600 0.062 0.000 1.021 82 S CA 1.520 59.748 58.200 0.046 0.000 0.974 82 S CB -0.691 62.535 63.200 0.044 0.000 0.800 82 S HN 0.752 nan 8.310 nan 0.000 0.484 83 H N 1.894 120.945 119.070 -0.031 0.000 2.428 83 H HA 0.210 4.764 4.556 -0.003 0.000 0.296 83 H C 2.280 177.590 175.328 -0.030 0.000 1.062 83 H CA 1.371 57.398 56.048 -0.034 0.000 1.350 83 H CB -0.116 29.619 29.762 -0.043 0.000 1.403 83 H HN 0.303 nan 8.280 nan 0.000 0.533 84 R N -0.578 119.896 120.500 -0.044 0.000 2.117 84 R HA -0.111 4.228 4.340 -0.003 0.000 0.243 84 R C 2.449 178.763 176.300 0.024 0.000 1.143 84 R CA 1.199 57.281 56.100 -0.029 0.000 0.968 84 R CB -0.605 29.652 30.300 -0.072 0.000 0.863 84 R HN 0.457 nan 8.270 nan 0.000 0.444 85 G N 0.916 109.723 108.800 0.012 0.000 2.421 85 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.217 85 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.217 85 G C 1.443 176.331 174.900 -0.020 0.000 1.143 85 G CA -0.008 45.113 45.100 0.035 0.000 0.784 85 G HN 0.125 nan 8.290 nan 0.000 0.541 86 R N 0.251 120.687 120.500 -0.107 0.000 2.096 86 R HA 0.085 4.424 4.340 -0.003 0.000 0.235 86 R C 2.496 178.692 176.300 -0.174 0.000 1.127 86 R CA 0.452 56.471 56.100 -0.135 0.000 0.968 86 R CB -0.950 29.242 30.300 -0.180 0.000 0.861 86 R HN 0.357 nan 8.270 nan 0.000 0.440 87 L N 0.468 121.510 121.223 -0.302 0.000 2.056 87 L HA -0.114 4.224 4.340 -0.003 0.000 0.207 87 L C 2.471 179.283 176.870 -0.096 0.000 1.078 87 L CA 1.183 55.776 54.840 -0.411 0.000 0.749 87 L CB -0.568 40.915 42.059 -0.961 0.000 0.901 87 L HN 0.147 nan 8.230 nan 0.000 0.433 88 L N -0.416 120.873 121.223 0.110 0.000 2.093 88 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 88 L C 2.375 179.344 176.870 0.165 0.000 1.085 88 L CA 0.900 55.904 54.840 0.273 0.000 0.755 88 L CB -0.556 41.674 42.059 0.284 0.000 0.904 88 L HN 0.343 nan 8.230 nan 0.000 0.435 89 N N 0.061 118.815 118.700 0.091 0.000 2.188 89 N HA -0.181 4.557 4.740 -0.003 0.000 0.184 89 N C 1.979 177.524 175.510 0.059 0.000 1.018 89 N CA 0.969 54.060 53.050 0.069 0.000 0.858 89 N CB -0.085 38.423 38.487 0.036 0.000 0.989 89 N HN 0.188 nan 8.380 nan 0.000 0.426 90 R N 1.311 121.830 120.500 0.032 0.000 2.073 90 R HA -0.034 4.304 4.340 -0.003 0.000 0.234 90 R C 2.142 178.490 176.300 0.079 0.000 1.134 90 R CA 0.885 57.003 56.100 0.031 0.000 0.952 90 R CB -0.973 29.313 30.300 -0.023 0.000 0.850 90 R HN 0.146 nan 8.270 nan 0.000 0.433 91 L N 0.435 121.740 121.223 0.136 0.000 2.012 91 L HA -0.050 4.289 4.340 -0.003 0.000 0.210 91 L C 2.141 179.091 176.870 0.133 0.000 1.073 91 L CA 2.377 57.325 54.840 0.179 0.000 0.748 91 L CB -1.114 41.122 42.059 0.295 0.000 0.891 91 L HN 0.296 nan 8.230 nan 0.000 0.431 92 A N -0.757 122.141 122.820 0.129 0.000 1.908 92 A HA -0.251 4.067 4.320 -0.003 0.000 0.218 92 A C 1.985 179.625 177.584 0.093 0.000 1.181 92 A CA 1.955 54.059 52.037 0.111 0.000 0.627 92 A CB -0.985 18.083 19.000 0.113 0.000 0.818 92 A HN 0.553 nan 8.150 nan 0.000 0.445 93 D N 0.057 120.507 120.400 0.083 0.000 2.116 93 D HA -0.151 4.487 4.640 -0.003 0.000 0.193 93 D C 1.876 178.223 176.300 0.078 0.000 0.998 93 D CA 1.243 55.286 54.000 0.071 0.000 0.836 93 D CB -0.392 40.442 40.800 0.058 0.000 0.951 93 D HN 0.465 nan 8.370 nan 0.000 0.449 94 L N 0.141 121.415 121.223 0.085 0.000 2.093 94 L HA -0.095 4.243 4.340 -0.003 0.000 0.208 94 L C 2.468 179.413 176.870 0.124 0.000 1.085 94 L CA 0.590 55.487 54.840 0.094 0.000 0.755 94 L CB -0.213 41.898 42.059 0.085 0.000 0.904 94 L HN 0.040 nan 8.230 nan 0.000 0.435 95 I N -0.239 120.406 120.570 0.124 0.000 2.315 95 I HA -0.284 3.884 4.170 -0.003 0.000 0.248 95 I C 2.614 178.799 176.117 0.114 0.000 1.117 95 I CA 1.258 62.642 61.300 0.140 0.000 1.404 95 I CB -0.129 37.942 38.000 0.119 0.000 1.071 95 I HN 0.326 nan 8.210 nan 0.000 0.419 96 E N 1.393 121.645 120.200 0.086 0.000 2.077 96 E HA -0.294 4.054 4.350 -0.003 0.000 0.193 96 E C 2.392 179.043 176.600 0.085 0.000 0.989 96 E CA 1.169 57.606 56.400 0.062 0.000 0.800 96 E CB -0.114 29.618 29.700 0.053 0.000 0.746 96 E HN 0.277 nan 8.360 nan 0.000 0.452 97 R N 0.289 120.848 120.500 0.099 0.000 2.127 97 R HA -0.146 4.192 4.340 -0.003 0.000 0.238 97 R C 0.245 176.628 176.300 0.137 0.000 1.134 97 R CA 1.803 57.967 56.100 0.106 0.000 0.975 97 R CB -0.040 30.316 30.300 0.093 0.000 0.865 97 R HN 0.137 nan 8.270 nan 0.000 0.447 98 D N 0.017 120.520 120.400 0.172 0.000 2.615 98 D HA 0.045 4.684 4.640 -0.003 0.000 0.236 98 D C 1.006 177.441 176.300 0.225 0.000 1.233 98 D CA -0.070 54.067 54.000 0.227 0.000 0.829 98 D CB 0.360 41.359 40.800 0.333 0.000 1.024 98 D HN 0.259 nan 8.370 nan 0.000 0.490 99 R N 0.147 120.749 120.500 0.170 0.000 2.081 99 R HA -0.106 4.232 4.340 -0.003 0.000 0.235 99 R C 1.434 177.885 176.300 0.251 0.000 1.131 99 R CA 1.530 57.690 56.100 0.100 0.000 0.960 99 R CB 0.042 30.313 30.300 -0.047 0.000 0.856 99 R HN -0.047 nan 8.270 nan 0.000 0.436 100 T N -0.161 114.646 114.554 0.421 0.000 2.857 100 T HA -0.146 4.202 4.350 -0.003 0.000 0.266 100 T C 1.261 176.218 174.700 0.429 0.000 1.048 100 T CA 1.297 63.733 62.100 0.560 0.000 1.139 100 T CB -0.388 68.735 68.868 0.426 0.000 0.874 100 T HN 0.372 nan 8.240 nan 0.000 0.455 101 Y N 1.683 122.096 120.300 0.188 0.000 2.133 101 Y HA 0.063 4.611 4.550 -0.003 0.000 0.287 101 Y C 1.949 177.895 175.900 0.077 0.000 1.134 101 Y CA 0.950 59.104 58.100 0.091 0.000 1.133 101 Y CB -0.590 37.862 38.460 -0.012 0.000 0.987 101 Y HN 0.074 nan 8.280 nan 0.000 0.502 102 L N -0.086 121.094 121.223 -0.070 0.000 2.131 102 L HA -0.185 4.153 4.340 -0.003 0.000 0.210 102 L C 2.677 179.537 176.870 -0.018 0.000 1.092 102 L CA 1.124 55.874 54.840 -0.150 0.000 0.759 102 L CB -0.724 41.359 42.059 0.041 0.000 0.903 102 L HN 0.396 nan 8.230 nan 0.000 0.435 103 A N -0.415 122.495 122.820 0.150 0.000 1.929 103 A HA -0.067 4.251 4.320 -0.003 0.000 0.216 103 A C 2.487 180.309 177.584 0.397 0.000 1.176 103 A CA 1.384 53.578 52.037 0.262 0.000 0.628 103 A CB -0.512 18.707 19.000 0.365 0.000 0.816 103 A HN 0.383 nan 8.150 nan 0.000 0.444 104 A N -0.502 122.551 122.820 0.388 0.000 1.898 104 A HA 0.013 4.332 4.320 -0.003 0.000 0.216 104 A C 2.074 179.770 177.584 0.187 0.000 1.181 104 A CA 1.615 53.854 52.037 0.337 0.000 0.620 104 A CB -0.587 18.476 19.000 0.105 0.000 0.819 104 A HN 0.520 nan 8.150 nan 0.000 0.442 105 L N -0.034 121.143 121.223 -0.077 0.000 2.083 105 L HA -0.134 4.205 4.340 -0.003 0.000 0.209 105 L C 2.274 179.127 176.870 -0.028 0.000 1.083 105 L CA 2.585 57.344 54.840 -0.135 0.000 0.752 105 L CB -0.612 41.212 42.059 -0.392 0.000 0.899 105 L HN 0.557 nan 8.230 nan 0.000 0.433 106 E N -1.391 118.805 120.200 -0.006 0.000 2.077 106 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 106 E C 2.000 178.596 176.600 -0.007 0.000 0.989 106 E CA 1.899 58.304 56.400 0.009 0.000 0.800 106 E CB -0.196 29.521 29.700 0.028 0.000 0.746 106 E HN 0.446 nan 8.360 nan 0.000 0.452 107 T N 0.609 115.157 114.554 -0.011 0.000 2.777 107 T HA -0.109 4.239 4.350 -0.003 0.000 0.266 107 T C 1.685 176.291 174.700 -0.155 0.000 1.040 107 T CA 1.026 63.034 62.100 -0.153 0.000 1.141 107 T CB -0.300 68.345 68.868 -0.372 0.000 0.868 107 T HN 0.112 nan 8.240 nan 0.000 0.444 108 L N 1.244 122.467 121.223 -0.000 0.000 2.012 108 L HA -0.109 4.229 4.340 -0.003 0.000 0.210 108 L C 2.043 178.925 176.870 0.021 0.000 1.073 108 L CA 1.903 56.795 54.840 0.087 0.000 0.748 108 L CB -0.361 41.796 42.059 0.162 0.000 0.891 108 L HN 0.088 nan 8.230 nan 0.000 0.431 109 D N -1.785 118.621 120.400 0.010 0.000 2.240 109 D HA -0.126 4.512 4.640 -0.003 0.000 0.206 109 D C 1.896 178.197 176.300 0.001 0.000 0.963 109 D CA 0.713 54.721 54.000 0.014 0.000 0.863 109 D CB 0.050 40.866 40.800 0.027 0.000 0.973 109 D HN 0.398 nan 8.370 nan 0.000 0.501 110 N N -0.686 118.003 118.700 -0.019 0.000 2.436 110 N HA -0.013 4.725 4.740 -0.003 0.000 0.178 110 N C 1.359 176.822 175.510 -0.079 0.000 1.026 110 N CA 1.683 54.716 53.050 -0.028 0.000 0.880 110 N CB 0.874 39.343 38.487 -0.029 0.000 1.061 110 N HN 0.242 nan 8.380 nan 0.000 0.434 111 G N 1.360 110.090 108.800 -0.116 0.000 2.218 111 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.216 111 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.216 111 G C -0.086 174.712 174.900 -0.171 0.000 0.994 111 G CA 0.345 45.347 45.100 -0.164 0.000 0.637 111 G HN 0.695 nan 8.290 nan 0.000 0.505 112 K N 1.075 121.383 120.400 -0.153 0.000 2.355 112 K HA 0.492 4.811 4.320 -0.003 0.000 0.270 112 K C -2.666 173.868 176.600 -0.110 0.000 1.003 112 K CA -1.303 54.900 56.287 -0.140 0.000 0.957 112 K CB 0.661 33.066 32.500 -0.158 0.000 0.939 112 K HN 0.058 nan 8.250 nan 0.000 0.482 113 P HA -0.114 nan 4.420 nan 0.000 0.265 113 P C -0.331 176.988 177.300 0.032 0.000 1.193 113 P CA -0.035 63.058 63.100 -0.013 0.000 0.765 113 P CB 0.137 31.865 31.700 0.048 0.000 0.823 114 Y N 4.658 124.903 120.300 -0.091 0.000 2.165 114 Y HA -0.246 4.303 4.550 -0.003 0.000 0.286 114 Y C 1.893 177.866 175.900 0.122 0.000 1.155 114 Y CA 1.756 59.867 58.100 0.019 0.000 1.164 114 Y CB -0.918 37.611 38.460 0.115 0.000 0.978 114 Y HN 0.082 nan 8.280 nan 0.000 0.513 115 V N 0.226 120.137 119.914 -0.005 0.000 2.392 115 V HA -0.323 3.796 4.120 -0.003 0.000 0.249 115 V C 2.322 178.421 176.094 0.009 0.000 1.059 115 V CA 1.812 64.077 62.300 -0.058 0.000 1.051 115 V CB -0.624 31.231 31.823 0.054 0.000 0.658 115 V HN 0.426 nan 8.190 nan 0.000 0.455 116 I N -0.574 120.038 120.570 0.070 0.000 2.277 116 I HA -0.103 4.065 4.170 -0.003 0.000 0.243 116 I C 2.601 178.790 176.117 0.120 0.000 1.094 116 I CA 1.312 62.698 61.300 0.144 0.000 1.393 116 I CB -1.403 36.720 38.000 0.205 0.000 1.078 116 I HN 0.233 nan 8.210 nan 0.000 0.417 117 S N 0.102 115.842 115.700 0.067 0.000 2.374 117 S HA -0.254 4.214 4.470 -0.003 0.000 0.227 117 S C 2.048 176.669 174.600 0.035 0.000 1.037 117 S CA 1.574 59.811 58.200 0.062 0.000 1.024 117 S CB -0.451 62.792 63.200 0.071 0.000 0.861 117 S HN 0.458 nan 8.310 nan 0.000 0.456 118 Y N 1.350 121.538 120.300 -0.187 0.000 2.153 118 Y HA 0.083 4.631 4.550 -0.003 0.000 0.289 118 Y C 1.901 177.756 175.900 -0.074 0.000 1.127 118 Y CA 1.340 59.320 58.100 -0.201 0.000 1.131 118 Y CB -0.133 38.042 38.460 -0.474 0.000 0.995 118 Y HN 0.126 nan 8.280 nan 0.000 0.505 119 L N -1.393 119.899 121.223 0.116 0.000 2.270 119 L HA -0.048 4.291 4.340 -0.003 0.000 0.210 119 L C 1.631 178.534 176.870 0.056 0.000 1.104 119 L CA 0.281 55.175 54.840 0.090 0.000 0.804 119 L CB -0.174 41.966 42.059 0.134 0.000 0.937 119 L HN 0.152 nan 8.230 nan 0.000 0.450 120 V N -0.789 119.180 119.914 0.091 0.000 2.785 120 V HA -0.060 4.059 4.120 -0.003 0.000 0.226 120 V C 1.682 177.833 176.094 0.095 0.000 1.127 120 V CA 0.985 63.361 62.300 0.126 0.000 1.193 120 V CB -0.396 31.576 31.823 0.249 0.000 0.926 120 V HN 0.166 nan 8.190 nan 0.000 0.507 121 D N 0.654 121.127 120.400 0.122 0.000 2.106 121 D HA -0.206 4.433 4.640 -0.003 0.000 0.191 121 D C 1.959 178.271 176.300 0.020 0.000 0.997 121 D CA 1.641 55.689 54.000 0.081 0.000 0.834 121 D CB -0.256 40.620 40.800 0.126 0.000 0.956 121 D HN 0.218 nan 8.370 nan 0.000 0.448 122 L N -0.029 121.185 121.223 -0.014 0.000 2.217 122 L HA -0.078 4.260 4.340 -0.003 0.000 0.211 122 L C 1.778 178.618 176.870 -0.049 0.000 1.107 122 L CA 0.972 55.783 54.840 -0.049 0.000 0.783 122 L CB -0.132 41.851 42.059 -0.126 0.000 0.919 122 L HN -0.017 nan 8.230 nan 0.000 0.442 123 D N -0.356 120.012 120.400 -0.053 0.000 2.097 123 D HA -0.231 4.408 4.640 -0.003 0.000 0.195 123 D C 2.277 178.598 176.300 0.036 0.000 0.989 123 D CA 1.559 55.548 54.000 -0.017 0.000 0.827 123 D CB 0.058 40.854 40.800 -0.006 0.000 0.966 123 D HN 0.169 nan 8.370 nan 0.000 0.456 124 M N -0.495 119.136 119.600 0.051 0.000 2.159 124 M HA -0.126 4.352 4.480 -0.003 0.000 0.263 124 M C 2.212 178.586 176.300 0.123 0.000 1.063 124 M CA 0.673 56.031 55.300 0.096 0.000 1.110 124 M CB -0.022 32.626 32.600 0.080 0.000 1.374 124 M HN 0.005 nan 8.290 nan 0.000 0.411 125 V N 0.907 120.862 119.914 0.069 0.000 2.295 125 V HA -0.272 3.846 4.120 -0.003 0.000 0.246 125 V C 2.272 178.440 176.094 0.123 0.000 1.049 125 V CA 1.692 64.043 62.300 0.084 0.000 1.024 125 V CB -0.582 31.266 31.823 0.041 0.000 0.648 125 V HN 0.449 nan 8.190 nan 0.000 0.447 126 L N -0.546 120.732 121.223 0.092 0.000 2.017 126 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 126 L C 2.607 179.555 176.870 0.131 0.000 1.073 126 L CA 1.762 56.661 54.840 0.099 0.000 0.745 126 L CB -0.662 41.433 42.059 0.061 0.000 0.894 126 L HN 0.269 nan 8.230 nan 0.000 0.432 127 K N -0.796 119.681 120.400 0.128 0.000 2.097 127 K HA -0.209 4.109 4.320 -0.003 0.000 0.206 127 K C 2.289 179.012 176.600 0.204 0.000 1.049 127 K CA 1.601 57.971 56.287 0.139 0.000 0.933 127 K CB -0.555 32.008 32.500 0.105 0.000 0.717 127 K HN 0.418 nan 8.250 nan 0.000 0.442 128 C N 1.323 120.779 119.300 0.260 0.000 2.446 128 C HA -0.035 4.424 4.460 -0.003 0.000 0.277 128 C C 2.493 177.749 174.990 0.444 0.000 1.275 128 C CA 0.456 59.705 59.018 0.385 0.000 1.727 128 C CB -0.910 27.130 27.740 0.499 0.000 2.010 128 C HN 0.376 nan 8.230 nan 0.000 0.486 129 L N 0.165 121.580 121.223 0.320 0.000 2.027 129 L HA -0.068 4.271 4.340 -0.003 0.000 0.206 129 L C 2.995 180.027 176.870 0.270 0.000 1.074 129 L CA 1.644 56.657 54.840 0.289 0.000 0.745 129 L CB -0.664 41.518 42.059 0.205 0.000 0.898 129 L HN 0.282 nan 8.230 nan 0.000 0.433 130 R N -1.446 119.183 120.500 0.215 0.000 2.148 130 R HA -0.181 4.157 4.340 -0.003 0.000 0.227 130 R C 2.169 178.557 176.300 0.147 0.000 1.103 130 R CA 1.138 57.331 56.100 0.156 0.000 0.983 130 R CB -0.320 30.052 30.300 0.119 0.000 0.874 130 R HN 0.276 nan 8.270 nan 0.000 0.451 131 Y N -0.186 120.150 120.300 0.059 0.000 2.133 131 Y HA -0.231 4.317 4.550 -0.003 0.000 0.287 131 Y C 1.504 177.375 175.900 -0.050 0.000 1.134 131 Y CA 1.460 59.529 58.100 -0.052 0.000 1.133 131 Y CB -0.314 38.086 38.460 -0.100 0.000 0.987 131 Y HN -0.008 nan 8.280 nan 0.000 0.502 132 Y N -0.290 120.131 120.300 0.202 0.000 2.509 132 Y HA -0.067 4.481 4.550 -0.003 0.000 0.293 132 Y C 2.508 178.479 175.900 0.118 0.000 1.133 132 Y CA 0.585 58.798 58.100 0.188 0.000 1.283 132 Y CB -0.424 38.179 38.460 0.239 0.000 1.001 132 Y HN 0.279 nan 8.280 nan 0.000 0.555 133 A N -0.027 122.916 122.820 0.206 0.000 1.933 133 A HA -0.148 4.170 4.320 -0.003 0.000 0.218 133 A C 2.440 180.052 177.584 0.046 0.000 1.175 133 A CA 1.750 53.867 52.037 0.134 0.000 0.628 133 A CB -1.284 17.778 19.000 0.104 0.000 0.814 133 A HN 0.440 nan 8.150 nan 0.000 0.444 134 G N -3.099 105.654 108.800 -0.079 0.000 2.848 134 G HA2 -0.060 3.898 3.960 -0.003 0.000 0.208 134 G HA3 -0.060 3.898 3.960 -0.003 0.000 0.208 134 G C 1.183 175.941 174.900 -0.238 0.000 1.152 134 G CA 0.321 45.307 45.100 -0.190 0.000 0.789 134 G HN 0.668 nan 8.290 nan 0.000 0.531 135 W N 0.218 121.419 121.300 -0.166 0.000 2.576 135 W HA 0.274 4.933 4.660 -0.002 0.000 0.275 135 W C 2.688 179.185 176.519 -0.036 0.000 1.241 135 W CA 0.278 57.541 57.345 -0.138 0.000 1.328 135 W CB 0.357 29.729 29.460 -0.146 0.000 1.092 135 W HN 0.218 nan 8.180 nan 0.000 0.586 136 A N 1.214 124.182 122.820 0.247 0.000 1.954 136 A HA -0.316 4.002 4.320 -0.003 0.000 0.222 136 A C 1.235 178.903 177.584 0.140 0.000 1.199 136 A CA 2.578 54.717 52.037 0.170 0.000 0.657 136 A CB -0.924 18.146 19.000 0.116 0.000 0.823 136 A HN 0.400 nan 8.150 nan 0.000 0.463 137 D N -2.552 117.919 120.400 0.118 0.000 2.593 137 D HA 0.228 4.866 4.640 -0.003 0.000 0.241 137 D C 0.523 176.875 176.300 0.087 0.000 1.257 137 D CA -0.011 54.046 54.000 0.095 0.000 0.828 137 D CB 0.066 40.906 40.800 0.066 0.000 1.049 137 D HN 0.475 nan 8.370 nan 0.000 0.490 138 K N -0.527 119.943 120.400 0.116 0.000 2.483 138 K HA 0.065 4.383 4.320 -0.003 0.000 0.206 138 K C -0.584 175.982 176.600 -0.057 0.000 1.086 138 K CA -0.496 55.769 56.287 -0.037 0.000 1.052 138 K CB 0.853 33.366 32.500 0.022 0.000 0.904 138 K HN -0.034 nan 8.250 nan 0.000 0.557 139 Y N 2.614 122.874 120.300 -0.067 0.000 2.714 139 Y HA 0.160 4.709 4.550 -0.003 0.000 0.333 139 Y C -0.480 175.368 175.900 -0.086 0.000 1.220 139 Y CA -1.130 56.918 58.100 -0.086 0.000 1.513 139 Y CB -0.677 37.770 38.460 -0.021 0.000 1.435 139 Y HN 0.081 nan 8.280 nan 0.000 0.489 140 H N 1.268 120.289 119.070 -0.083 0.000 2.562 140 H HA 0.463 5.017 4.556 -0.003 0.000 0.352 140 H C 0.863 175.893 175.328 -0.497 0.000 1.125 140 H CA -0.079 55.855 56.048 -0.191 0.000 1.379 140 H CB 0.980 30.687 29.762 -0.092 0.000 1.464 140 H HN 0.733 nan 8.280 nan 0.000 0.563 141 G N 0.974 109.533 108.800 -0.402 0.000 2.535 141 G HA2 0.438 4.396 3.960 -0.003 0.000 0.282 141 G HA3 0.438 4.396 3.960 -0.003 0.000 0.282 141 G C -0.783 173.983 174.900 -0.222 0.000 1.350 141 G CA -0.857 43.878 45.100 -0.609 0.000 1.039 141 G HN 0.580 nan 8.290 nan 0.000 0.509 142 K N -0.922 119.407 120.400 -0.119 0.000 2.443 142 K HA 0.581 4.899 4.320 -0.003 0.000 0.251 142 K C -0.680 175.940 176.600 0.034 0.000 0.972 142 K CA -0.759 55.512 56.287 -0.028 0.000 0.833 142 K CB 2.054 34.549 32.500 -0.008 0.000 1.317 142 K HN 0.586 nan 8.250 nan 0.000 0.441 143 T N -1.039 113.552 114.554 0.061 0.000 2.795 143 T HA 0.667 5.016 4.350 -0.003 0.000 0.282 143 T C -0.073 174.685 174.700 0.097 0.000 0.980 143 T CA -0.771 61.405 62.100 0.127 0.000 1.012 143 T CB 0.040 69.035 68.868 0.211 0.000 0.936 143 T HN 0.434 nan 8.240 nan 0.000 0.457 144 I N 4.259 124.884 120.570 0.092 0.000 2.418 144 I HA 0.345 4.514 4.170 -0.003 0.000 0.287 144 I C -2.092 174.076 176.117 0.086 0.000 1.008 144 I CA -2.810 58.528 61.300 0.063 0.000 1.104 144 I CB 2.486 40.499 38.000 0.022 0.000 1.264 144 I HN 0.460 nan 8.210 nan 0.000 0.438 145 P HA 0.133 nan 4.420 nan 0.000 0.231 145 P C 0.151 177.499 177.300 0.080 0.000 1.756 145 P CA 0.118 63.270 63.100 0.087 0.000 0.990 145 P CB 0.046 31.785 31.700 0.064 0.000 1.973 146 I N 1.177 121.800 120.570 0.089 0.000 2.892 146 I HA -0.017 4.151 4.170 -0.003 0.000 0.287 146 I C 0.354 176.546 176.117 0.124 0.000 1.205 146 I CA 0.208 61.554 61.300 0.077 0.000 1.409 146 I CB 0.623 38.651 38.000 0.047 0.000 1.367 146 I HN 0.048 nan 8.210 nan 0.000 0.597 147 D N 4.484 124.948 120.400 0.106 0.000 2.382 147 D HA 0.447 5.085 4.640 -0.003 0.000 0.240 147 D C 0.363 176.836 176.300 0.289 0.000 1.146 147 D CA 1.197 55.280 54.000 0.140 0.000 0.897 147 D CB 0.817 41.673 40.800 0.094 0.000 1.197 147 D HN 0.903 nan 8.370 nan 0.000 0.432 148 G N 1.583 110.525 108.800 0.237 0.000 2.757 148 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.638 148 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.638 148 G C -0.730 174.166 174.900 -0.007 0.000 1.344 148 G CA -0.765 44.468 45.100 0.223 0.000 0.855 148 G HN 0.498 nan 8.290 nan 0.000 0.537 149 D N 0.982 121.094 120.400 -0.481 0.000 2.688 149 D HA 0.461 5.099 4.640 -0.003 0.000 0.228 149 D C -0.121 175.734 176.300 -0.742 0.000 1.116 149 D CA 0.942 54.651 54.000 -0.484 0.000 1.023 149 D CB -0.530 40.029 40.800 -0.402 0.000 1.100 149 D HN 0.277 nan 8.370 nan 0.000 0.487 150 F N 0.359 120.352 119.950 0.072 0.000 2.599 150 F HA 0.368 4.894 4.527 -0.003 0.000 0.311 150 F C -0.293 175.616 175.800 0.182 0.000 1.076 150 F CA -1.459 56.599 58.000 0.096 0.000 0.937 150 F CB 1.514 40.543 39.000 0.048 0.000 1.282 150 F HN -0.146 nan 8.300 nan 0.000 0.460 151 F N 2.238 122.322 119.950 0.223 0.000 2.388 151 F HA 0.649 5.174 4.527 -0.003 0.000 0.358 151 F C -0.422 175.483 175.800 0.174 0.000 1.122 151 F CA -0.928 57.176 58.000 0.174 0.000 1.056 151 F CB 1.024 40.115 39.000 0.152 0.000 1.155 151 F HN 0.294 nan 8.300 nan 0.000 0.461 152 S N 6.793 122.409 115.700 -0.140 0.000 2.473 152 S HA 0.772 5.241 4.470 -0.003 0.000 0.307 152 S C -1.408 173.000 174.600 -0.320 0.000 1.094 152 S CA -0.309 57.712 58.200 -0.298 0.000 1.070 152 S CB 0.550 63.680 63.200 -0.118 0.000 1.019 152 S HN 0.669 nan 8.310 nan 0.000 0.480 153 Y N 0.207 120.245 120.300 -0.438 0.000 2.625 153 Y HA 0.775 5.323 4.550 -0.002 0.000 0.338 153 Y C -0.505 175.288 175.900 -0.178 0.000 1.123 153 Y CA -1.094 56.830 58.100 -0.294 0.000 1.046 153 Y CB 0.825 39.078 38.460 -0.346 0.000 1.299 153 Y HN 0.524 nan 8.280 nan 0.000 0.464 154 T N -0.164 114.419 114.554 0.049 0.000 2.885 154 T HA 0.706 5.054 4.350 -0.003 0.000 0.285 154 T C -0.800 173.965 174.700 0.108 0.000 1.019 154 T CA -1.065 61.047 62.100 0.020 0.000 1.010 154 T CB 1.785 70.681 68.868 0.047 0.000 1.022 154 T HN 0.811 nan 8.240 nan 0.000 0.466 155 R N 0.980 121.552 120.500 0.120 0.000 2.445 155 R HA 0.324 4.663 4.340 -0.003 0.000 0.308 155 R C -0.436 176.008 176.300 0.239 0.000 0.961 155 R CA -0.711 55.473 56.100 0.140 0.000 0.862 155 R CB 1.145 31.532 30.300 0.145 0.000 1.144 155 R HN 0.765 nan 8.270 nan 0.000 0.447 156 H N 2.329 121.436 119.070 0.061 0.000 2.702 156 H HA 0.111 4.665 4.556 -0.003 0.000 0.252 156 H C -0.406 174.994 175.328 0.121 0.000 1.493 156 H CA -0.445 55.653 56.048 0.082 0.000 1.273 156 H CB 0.658 30.461 29.762 0.068 0.000 1.537 156 H HN 0.405 nan 8.280 nan 0.000 0.547 157 E N 2.893 123.222 120.200 0.216 0.000 2.345 157 E HA 0.167 4.515 4.350 -0.003 0.000 0.259 157 E C -2.319 174.410 176.600 0.214 0.000 1.117 157 E CA -2.113 54.398 56.400 0.186 0.000 0.913 157 E CB 0.544 30.335 29.700 0.152 0.000 1.057 157 E HN 0.351 nan 8.360 nan 0.000 0.432 158 P HA -0.105 nan 4.420 nan 0.000 0.270 158 P C 0.465 177.920 177.300 0.257 0.000 1.223 158 P CA -0.060 63.230 63.100 0.316 0.000 0.785 158 P CB 0.606 32.626 31.700 0.532 0.000 0.923 159 V N 0.896 120.895 119.914 0.142 0.000 2.719 159 V HA 0.163 4.281 4.120 -0.003 0.000 0.252 159 V C 0.967 177.001 176.094 -0.100 0.000 1.065 159 V CA 2.514 64.840 62.300 0.042 0.000 1.086 159 V CB -1.038 30.795 31.823 0.016 0.000 0.700 159 V HN 0.919 nan 8.190 nan 0.000 0.467 160 G N -0.604 107.983 108.800 -0.355 0.000 2.254 160 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.193 160 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.193 160 G C -0.518 173.926 174.900 -0.760 0.000 1.233 160 G CA -0.173 44.284 45.100 -1.072 0.000 1.290 160 G HN 0.622 nan 8.290 nan 0.000 0.517 161 V N 1.225 120.855 119.914 -0.474 0.000 2.427 161 V HA 0.421 4.539 4.120 -0.003 0.000 0.268 161 V C 0.284 176.293 176.094 -0.142 0.000 1.046 161 V CA -0.169 61.973 62.300 -0.263 0.000 0.970 161 V CB 0.412 32.111 31.823 -0.207 0.000 1.001 161 V HN 0.804 nan 8.190 nan 0.000 0.476 162 C N 5.146 124.399 119.300 -0.078 0.000 2.251 162 C HA 0.643 5.101 4.460 -0.003 0.000 0.323 162 C C 1.092 176.089 174.990 0.011 0.000 1.241 162 C CA -1.035 57.993 59.018 0.018 0.000 1.601 162 C CB 0.098 27.931 27.740 0.155 0.000 2.251 162 C HN 0.995 nan 8.230 nan 0.000 0.488 163 G N 3.086 111.893 108.800 0.012 0.000 2.370 163 G HA2 0.490 4.449 3.960 -0.003 0.000 0.272 163 G HA3 0.490 4.449 3.960 -0.003 0.000 0.272 163 G C -0.715 174.221 174.900 0.060 0.000 1.208 163 G CA -0.086 45.024 45.100 0.018 0.000 0.856 163 G HN 0.815 nan 8.290 nan 0.000 0.500 164 Q N 1.540 121.376 119.800 0.059 0.000 2.303 164 Q HA 0.362 4.700 4.340 -0.003 0.000 0.267 164 Q C -0.827 175.231 176.000 0.096 0.000 1.011 164 Q CA -0.395 55.459 55.803 0.085 0.000 0.740 164 Q CB 2.538 31.316 28.738 0.066 0.000 1.250 164 Q HN 0.534 nan 8.270 nan 0.000 0.458 165 I N 4.843 125.503 120.570 0.149 0.000 2.330 165 I HA 0.423 4.591 4.170 -0.003 0.000 0.289 165 I C -0.092 176.134 176.117 0.181 0.000 1.001 165 I CA -0.731 60.688 61.300 0.198 0.000 1.193 165 I CB 0.711 38.892 38.000 0.302 0.000 1.345 165 I HN 0.519 nan 8.210 nan 0.000 0.461 166 I N 5.664 126.308 120.570 0.123 0.000 2.603 166 I HA 0.737 4.905 4.170 -0.003 0.000 0.300 166 I C -2.573 173.573 176.117 0.050 0.000 1.017 166 I CA -2.207 59.125 61.300 0.054 0.000 1.098 166 I CB 1.869 39.894 38.000 0.041 0.000 1.279 166 I HN 0.224 nan 8.210 nan 0.000 0.437 167 P HA 0.141 nan 4.420 nan 0.000 0.293 167 P C -0.182 177.065 177.300 -0.089 0.000 1.304 167 P CA -0.163 62.833 63.100 -0.173 0.000 0.767 167 P CB 0.475 31.919 31.700 -0.426 0.000 1.247 168 W N 0.067 121.378 121.300 0.018 0.000 3.177 168 W HA 0.081 4.739 4.660 -0.003 0.000 0.309 168 W C 0.806 177.283 176.519 -0.069 0.000 1.224 168 W CA 0.145 57.486 57.345 -0.007 0.000 1.718 168 W CB -1.476 27.984 29.460 -0.000 0.000 1.078 168 W HN 0.218 nan 8.180 nan 0.000 0.618 169 N N 1.747 120.299 118.700 -0.247 0.000 2.354 169 N HA -0.122 4.616 4.740 -0.003 0.000 0.179 169 N C -0.128 174.957 175.510 -0.708 0.000 1.021 169 N CA 0.570 53.409 53.050 -0.353 0.000 0.887 169 N CB -1.058 37.126 38.487 -0.504 0.000 0.974 169 N HN 0.086 nan 8.380 nan 0.000 0.437 170 F N -0.320 119.555 119.950 -0.125 0.000 2.646 170 F HA 0.434 4.959 4.527 -0.003 0.000 0.336 170 F C -1.804 173.910 175.800 -0.143 0.000 1.437 170 F CA -2.022 55.879 58.000 -0.165 0.000 1.142 170 F CB 2.126 40.949 39.000 -0.295 0.000 1.530 170 F HN -0.191 nan 8.300 nan 0.000 0.591 171 P HA -0.221 nan 4.420 nan 0.000 0.213 171 P C 1.898 179.213 177.300 0.025 0.000 1.176 171 P CA 1.743 64.873 63.100 0.049 0.000 0.919 171 P CB 0.401 32.139 31.700 0.063 0.000 0.791 172 L N -2.105 119.132 121.223 0.023 0.000 2.072 172 L HA -0.124 4.214 4.340 -0.003 0.000 0.205 172 L C 2.411 179.246 176.870 -0.059 0.000 1.079 172 L CA 0.804 55.648 54.840 0.007 0.000 0.752 172 L CB -0.853 41.222 42.059 0.027 0.000 0.906 172 L HN -0.033 nan 8.230 nan 0.000 0.436 173 L N -0.852 120.294 121.223 -0.130 0.000 2.083 173 L HA -0.193 4.145 4.340 -0.003 0.000 0.209 173 L C 2.420 178.951 176.870 -0.566 0.000 1.083 173 L CA 1.740 56.347 54.840 -0.387 0.000 0.752 173 L CB -0.361 41.349 42.059 -0.581 0.000 0.899 173 L HN 0.179 nan 8.230 nan 0.000 0.433 174 M N -0.912 118.476 119.600 -0.354 0.000 2.175 174 M HA -0.210 4.268 4.480 -0.003 0.000 0.264 174 M C 2.241 178.514 176.300 -0.044 0.000 1.063 174 M CA 1.726 56.899 55.300 -0.212 0.000 1.119 174 M CB -1.180 31.366 32.600 -0.091 0.000 1.377 174 M HN 0.533 nan 8.290 nan 0.000 0.415 175 Q N 0.118 119.897 119.800 -0.036 0.000 2.084 175 Q HA -0.140 4.199 4.340 -0.003 0.000 0.202 175 Q C 1.953 177.962 176.000 0.015 0.000 0.978 175 Q CA 2.082 57.884 55.803 -0.003 0.000 0.844 175 Q CB -0.085 28.650 28.738 -0.005 0.000 0.898 175 Q HN 0.432 nan 8.270 nan 0.000 0.426 176 A N 0.245 123.081 122.820 0.026 0.000 1.873 176 A HA -0.166 4.152 4.320 -0.003 0.000 0.215 176 A C 1.596 179.317 177.584 0.228 0.000 1.186 176 A CA 1.193 53.293 52.037 0.105 0.000 0.616 176 A CB -1.193 17.883 19.000 0.127 0.000 0.823 176 A HN 0.670 nan 8.150 nan 0.000 0.442 177 W N 0.474 121.782 121.300 0.015 0.000 2.364 177 W HA -0.076 4.582 4.660 -0.003 0.000 0.281 177 W C 1.973 178.459 176.519 -0.055 0.000 1.219 177 W CA 1.396 58.754 57.345 0.021 0.000 1.220 177 W CB -0.232 29.257 29.460 0.048 0.000 1.127 177 W HN 0.259 nan 8.180 nan 0.000 0.556 178 K N -0.516 119.975 120.400 0.152 0.000 2.141 178 K HA 0.106 4.424 4.320 -0.003 0.000 0.202 178 K C 2.137 178.637 176.600 -0.168 0.000 1.045 178 K CA 0.539 56.837 56.287 0.018 0.000 0.971 178 K CB -1.061 31.471 32.500 0.054 0.000 0.795 178 K HN 0.184 nan 8.250 nan 0.000 0.459 179 L N 0.713 121.862 121.223 -0.124 0.000 2.046 179 L HA -0.113 4.226 4.340 -0.003 0.000 0.208 179 L C 2.432 179.179 176.870 -0.206 0.000 1.077 179 L CA 1.449 56.177 54.840 -0.186 0.000 0.747 179 L CB -1.053 40.912 42.059 -0.157 0.000 0.896 179 L HN 0.289 nan 8.230 nan 0.000 0.432 180 G N 1.168 109.873 108.800 -0.158 0.000 2.586 180 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.218 180 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.218 180 G C -0.610 174.018 174.900 -0.454 0.000 1.216 180 G CA 1.177 46.172 45.100 -0.174 0.000 0.786 180 G HN 0.324 nan 8.290 nan 0.000 0.583 181 P HA 0.040 nan 4.420 nan 0.000 0.219 181 P C 1.996 178.960 177.300 -0.560 0.000 1.150 181 P CA 1.890 64.505 63.100 -0.809 0.000 0.814 181 P CB -0.126 31.141 31.700 -0.723 0.000 0.787 182 A N 0.511 122.864 122.820 -0.779 0.000 1.873 182 A HA -0.105 4.213 4.320 -0.003 0.000 0.215 182 A C 2.399 179.882 177.584 -0.169 0.000 1.186 182 A CA 1.375 52.972 52.037 -0.734 0.000 0.616 182 A CB -1.555 16.992 19.000 -0.755 0.000 0.823 182 A HN 0.117 nan 8.150 nan 0.000 0.442 183 L N -1.015 120.173 121.223 -0.058 0.000 2.240 183 L HA -0.061 4.278 4.340 -0.003 0.000 0.211 183 L C 2.945 180.038 176.870 0.372 0.000 1.106 183 L CA 0.761 55.765 54.840 0.274 0.000 0.793 183 L CB -0.489 41.676 42.059 0.177 0.000 0.927 183 L HN 0.437 nan 8.230 nan 0.000 0.446 184 A N 0.146 123.073 122.820 0.178 0.000 2.015 184 A HA -0.138 4.180 4.320 -0.003 0.000 0.219 184 A C 2.119 179.781 177.584 0.131 0.000 1.163 184 A CA 1.923 54.072 52.037 0.187 0.000 0.646 184 A CB -0.611 18.525 19.000 0.225 0.000 0.806 184 A HN 0.482 nan 8.150 nan 0.000 0.448 185 T N -4.611 110.001 114.554 0.097 0.000 3.105 185 T HA 0.445 4.794 4.350 -0.003 0.000 0.253 185 T C 1.069 175.859 174.700 0.150 0.000 1.047 185 T CA 0.809 62.967 62.100 0.098 0.000 0.944 185 T CB 0.260 69.162 68.868 0.056 0.000 1.016 185 T HN 1.615 nan 8.240 nan 0.000 0.544 186 G N 1.813 110.742 108.800 0.215 0.000 2.165 186 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.226 186 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.226 186 G C -0.294 174.987 174.900 0.635 0.000 1.035 186 G CA -0.532 44.709 45.100 0.236 0.000 0.744 186 G HN 0.561 nan 8.290 nan 0.000 0.501 187 N N -0.800 118.241 118.700 0.568 0.000 2.476 187 N HA 0.681 5.420 4.740 -0.003 0.000 0.276 187 N C 0.400 176.118 175.510 0.346 0.000 1.204 187 N CA 0.193 53.488 53.050 0.407 0.000 0.974 187 N CB 2.289 40.865 38.487 0.149 0.000 1.204 187 N HN 0.672 nan 8.380 nan 0.000 0.543 188 V N -1.979 117.996 119.914 0.102 0.000 2.815 188 V HA 0.718 4.837 4.120 -0.003 0.000 0.314 188 V C -0.155 175.874 176.094 -0.108 0.000 1.064 188 V CA -0.700 61.566 62.300 -0.057 0.000 0.952 188 V CB 1.686 33.502 31.823 -0.013 0.000 1.020 188 V HN 0.256 nan 8.190 nan 0.000 0.439 189 V N 2.828 122.655 119.914 -0.145 0.000 2.656 189 V HA 0.581 4.700 4.120 -0.003 0.000 0.307 189 V C -0.534 175.502 176.094 -0.097 0.000 1.051 189 V CA -0.467 61.762 62.300 -0.118 0.000 0.893 189 V CB 2.180 33.914 31.823 -0.149 0.000 0.999 189 V HN 0.802 nan 8.190 nan 0.000 0.426 190 V N 5.761 125.633 119.914 -0.070 0.000 2.305 190 V HA 0.445 4.563 4.120 -0.003 0.000 0.275 190 V C -0.198 175.884 176.094 -0.020 0.000 1.020 190 V CA -0.229 62.040 62.300 -0.052 0.000 0.811 190 V CB 1.309 33.089 31.823 -0.071 0.000 1.031 190 V HN 0.884 nan 8.190 nan 0.000 0.439 191 M N 4.856 124.452 119.600 -0.007 0.000 2.268 191 M HA 0.578 5.056 4.480 -0.003 0.000 0.344 191 M C -0.575 175.751 176.300 0.043 0.000 1.106 191 M CA -0.531 54.778 55.300 0.016 0.000 1.010 191 M CB 1.261 33.859 32.600 -0.003 0.000 1.649 191 M HN 0.324 nan 8.290 nan 0.000 0.443 192 K N 5.168 125.604 120.400 0.059 0.000 2.293 192 K HA 0.416 4.734 4.320 -0.003 0.000 0.267 192 K C -1.212 175.444 176.600 0.093 0.000 1.010 192 K CA -0.352 55.979 56.287 0.074 0.000 0.875 192 K CB 0.818 33.361 32.500 0.072 0.000 1.106 192 K HN 0.664 nan 8.250 nan 0.000 0.450 193 V N 0.794 120.769 119.914 0.103 0.000 2.837 193 V HA 0.708 4.827 4.120 -0.003 0.000 0.310 193 V C 0.354 176.531 176.094 0.138 0.000 1.059 193 V CA -1.224 61.148 62.300 0.120 0.000 1.004 193 V CB 1.243 33.143 31.823 0.128 0.000 1.045 193 V HN 0.708 nan 8.190 nan 0.000 0.465 194 A N 2.440 125.360 122.820 0.166 0.000 2.440 194 A HA 0.302 4.620 4.320 -0.003 0.000 0.251 194 A C 1.268 178.963 177.584 0.185 0.000 1.089 194 A CA 0.296 52.456 52.037 0.206 0.000 0.779 194 A CB -0.088 19.096 19.000 0.308 0.000 1.022 194 A HN 1.162 nan 8.150 nan 0.000 0.492 195 E N 1.841 122.125 120.200 0.140 0.000 2.209 195 E HA -0.316 4.032 4.350 -0.003 0.000 0.196 195 E C 1.074 177.787 176.600 0.187 0.000 0.993 195 E CA 1.833 58.291 56.400 0.098 0.000 0.819 195 E CB -0.223 29.535 29.700 0.098 0.000 0.745 195 E HN 0.831 nan 8.360 nan 0.000 0.477 196 Q N 0.611 120.487 119.800 0.128 0.000 2.187 196 Q HA -0.003 4.335 4.340 -0.003 0.000 0.199 196 Q C 0.830 176.900 176.000 0.115 0.000 0.957 196 Q CA 1.697 57.539 55.803 0.066 0.000 0.857 196 Q CB 0.554 29.230 28.738 -0.104 0.000 0.929 196 Q HN 0.461 nan 8.270 nan 0.000 0.453 197 T N -3.406 111.247 114.554 0.165 0.000 3.732 197 T HA 0.303 4.651 4.350 -0.003 0.000 0.234 197 T C -2.497 172.292 174.700 0.149 0.000 1.146 197 T CA -1.280 60.908 62.100 0.146 0.000 1.454 197 T CB 1.011 69.975 68.868 0.160 0.000 0.910 197 T HN -0.039 nan 8.240 nan 0.000 0.640 198 P HA 0.264 nan 4.420 nan 0.000 0.245 198 P C 1.556 178.936 177.300 0.132 0.000 1.199 198 P CA -0.170 63.030 63.100 0.166 0.000 0.807 198 P CB 0.426 32.263 31.700 0.228 0.000 1.002 199 L N 0.438 121.723 121.223 0.102 0.000 1.988 199 L HA -0.120 4.218 4.340 -0.003 0.000 0.207 199 L C 2.728 179.667 176.870 0.114 0.000 1.071 199 L CA 2.668 57.558 54.840 0.083 0.000 0.744 199 L CB -1.857 40.227 42.059 0.042 0.000 0.893 199 L HN 0.081 nan 8.230 nan 0.000 0.433 200 T N -2.084 112.523 114.554 0.089 0.000 2.833 200 T HA -0.142 4.206 4.350 -0.003 0.000 0.269 200 T C 1.909 176.704 174.700 0.159 0.000 1.054 200 T CA 0.970 63.135 62.100 0.107 0.000 1.135 200 T CB -0.461 68.440 68.868 0.055 0.000 0.869 200 T HN 0.330 nan 8.240 nan 0.000 0.466 201 A N 1.513 124.407 122.820 0.125 0.000 1.972 201 A HA 0.155 4.473 4.320 -0.003 0.000 0.219 201 A C 2.419 180.082 177.584 0.131 0.000 1.169 201 A CA 1.170 53.270 52.037 0.105 0.000 0.635 201 A CB -0.831 18.223 19.000 0.089 0.000 0.810 201 A HN 0.555 nan 8.150 nan 0.000 0.446 202 L N -2.495 118.846 121.223 0.197 0.000 2.072 202 L HA -0.147 4.191 4.340 -0.003 0.000 0.205 202 L C 2.555 179.620 176.870 0.324 0.000 1.079 202 L CA 1.574 56.601 54.840 0.310 0.000 0.752 202 L CB -0.635 41.565 42.059 0.236 0.000 0.906 202 L HN 0.557 nan 8.230 nan 0.000 0.436 203 Y N 0.367 120.771 120.300 0.173 0.000 2.207 203 Y HA -0.239 4.310 4.550 -0.003 0.000 0.287 203 Y C 2.401 178.395 175.900 0.156 0.000 1.156 203 Y CA 1.465 59.690 58.100 0.208 0.000 1.182 203 Y CB -0.187 38.437 38.460 0.274 0.000 0.979 203 Y HN -0.162 nan 8.280 nan 0.000 0.521 204 V N 0.248 120.265 119.914 0.171 0.000 2.490 204 V HA -0.351 3.767 4.120 -0.003 0.000 0.250 204 V C 2.624 178.618 176.094 -0.166 0.000 1.061 204 V CA 1.637 63.950 62.300 0.023 0.000 1.064 204 V CB -1.492 30.354 31.823 0.038 0.000 0.670 204 V HN 0.583 nan 8.190 nan 0.000 0.461 205 A N 0.222 122.885 122.820 -0.262 0.000 1.940 205 A HA -0.287 4.031 4.320 -0.003 0.000 0.219 205 A C 2.086 179.265 177.584 -0.676 0.000 1.176 205 A CA 2.254 53.788 52.037 -0.839 0.000 0.631 205 A CB -0.758 17.415 19.000 -1.378 0.000 0.814 205 A HN 0.569 nan 8.150 nan 0.000 0.446 206 N N 0.061 118.667 118.700 -0.155 0.000 2.120 206 N HA -0.088 4.650 4.740 -0.003 0.000 0.188 206 N C 1.556 177.022 175.510 -0.074 0.000 1.024 206 N CA 1.510 54.579 53.050 0.032 0.000 0.852 206 N CB -0.392 38.069 38.487 -0.043 0.000 1.003 206 N HN 0.524 nan 8.380 nan 0.000 0.424 207 L N -0.154 120.968 121.223 -0.167 0.000 2.109 207 L HA -0.039 4.299 4.340 -0.003 0.000 0.207 207 L C 2.134 179.014 176.870 0.018 0.000 1.086 207 L CA 0.584 55.382 54.840 -0.069 0.000 0.760 207 L CB -0.329 41.707 42.059 -0.039 0.000 0.910 207 L HN 0.158 nan 8.230 nan 0.000 0.437 208 I N 0.265 120.814 120.570 -0.035 0.000 2.264 208 I HA -0.345 3.823 4.170 -0.003 0.000 0.248 208 I C 2.767 179.004 176.117 0.200 0.000 1.111 208 I CA 1.481 62.819 61.300 0.063 0.000 1.382 208 I CB -0.214 37.669 38.000 -0.195 0.000 1.060 208 I HN 0.279 nan 8.210 nan 0.000 0.418 209 K N 1.011 121.503 120.400 0.153 0.000 2.025 209 K HA -0.253 4.065 4.320 -0.003 0.000 0.207 209 K C 2.107 178.784 176.600 0.129 0.000 1.049 209 K CA 1.703 58.106 56.287 0.193 0.000 0.933 209 K CB -0.122 32.515 32.500 0.229 0.000 0.714 209 K HN 0.246 nan 8.250 nan 0.000 0.438 210 E N -0.116 120.138 120.200 0.091 0.000 2.204 210 E HA -0.181 4.167 4.350 -0.003 0.000 0.195 210 E C 1.647 178.287 176.600 0.066 0.000 0.990 210 E CA 0.895 57.332 56.400 0.063 0.000 0.821 210 E CB -0.074 29.646 29.700 0.034 0.000 0.750 210 E HN 0.447 nan 8.360 nan 0.000 0.477 211 A N 0.200 123.079 122.820 0.100 0.000 1.933 211 A HA 0.014 4.332 4.320 -0.003 0.000 0.218 211 A C 1.964 179.548 177.584 -0.001 0.000 1.175 211 A CA 1.623 53.709 52.037 0.082 0.000 0.628 211 A CB -0.513 18.610 19.000 0.206 0.000 0.814 211 A HN 0.544 nan 8.150 nan 0.000 0.444 212 G N -3.142 105.689 108.800 0.052 0.000 2.159 212 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.170 212 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.170 212 G C -0.019 174.885 174.900 0.007 0.000 1.007 212 G CA -0.235 44.873 45.100 0.014 0.000 0.672 212 G HN 0.277 nan 8.290 nan 0.000 0.507 213 F N 1.803 121.774 119.950 0.035 0.000 2.572 213 F HA 0.385 4.910 4.527 -0.003 0.000 0.370 213 F C -1.227 174.573 175.800 0.000 0.000 1.103 213 F CA -1.233 56.766 58.000 -0.001 0.000 1.286 213 F CB 0.431 39.361 39.000 -0.118 0.000 1.105 213 F HN -0.092 nan 8.300 nan 0.000 0.583 214 P HA 0.062 nan 4.420 nan 0.000 0.268 214 P C -2.514 174.817 177.300 0.052 0.000 1.205 214 P CA -0.926 62.253 63.100 0.131 0.000 0.771 214 P CB 0.024 31.845 31.700 0.201 0.000 0.858 215 P HA 0.030 nan 4.420 nan 0.000 0.266 215 P C 1.085 178.351 177.300 -0.056 0.000 1.195 215 P CA 1.256 64.335 63.100 -0.035 0.000 0.768 215 P CB 0.134 31.805 31.700 -0.049 0.000 0.838 216 G N 1.059 109.800 108.800 -0.098 0.000 2.217 216 G HA2 -0.306 3.653 3.960 -0.003 0.000 0.246 216 G HA3 -0.306 3.653 3.960 -0.003 0.000 0.246 216 G C 1.028 175.851 174.900 -0.129 0.000 0.990 216 G CA 0.226 45.267 45.100 -0.099 0.000 0.627 216 G HN 0.403 nan 8.290 nan 0.000 0.522 217 V N -0.098 119.697 119.914 -0.199 0.000 2.407 217 V HA 0.072 4.190 4.120 -0.003 0.000 0.248 217 V C 1.366 177.255 176.094 -0.341 0.000 1.055 217 V CA 2.041 64.094 62.300 -0.412 0.000 1.049 217 V CB 0.079 31.471 31.823 -0.719 0.000 0.662 217 V HN 0.461 nan 8.190 nan 0.000 0.455 218 V N 1.414 121.190 119.914 -0.231 0.000 2.525 218 V HA 0.468 4.586 4.120 -0.003 0.000 0.299 218 V C -0.922 175.176 176.094 0.007 0.000 1.034 218 V CA -0.830 61.363 62.300 -0.178 0.000 0.863 218 V CB 1.858 33.506 31.823 -0.293 0.000 0.999 218 V HN 0.424 nan 8.190 nan 0.000 0.423 219 N N 5.554 124.249 118.700 -0.009 0.000 2.346 219 N HA 0.614 5.353 4.740 -0.003 0.000 0.289 219 N C -1.265 174.271 175.510 0.044 0.000 1.027 219 N CA -0.452 52.630 53.050 0.054 0.000 0.864 219 N CB 3.024 41.487 38.487 -0.040 0.000 1.370 219 N HN 0.492 nan 8.380 nan 0.000 0.481 220 I N 1.770 122.403 120.570 0.106 0.000 2.389 220 I HA 0.304 4.473 4.170 -0.003 0.000 0.288 220 I C -0.321 175.875 176.117 0.131 0.000 0.999 220 I CA -0.978 60.376 61.300 0.090 0.000 1.129 220 I CB 1.939 39.985 38.000 0.077 0.000 1.288 220 I HN 0.066 nan 8.210 nan 0.000 0.444 221 V N 8.357 128.331 119.914 0.100 0.000 2.293 221 V HA 0.272 4.391 4.120 -0.003 0.000 0.275 221 V C -2.008 174.155 176.094 0.115 0.000 1.021 221 V CA -1.630 60.732 62.300 0.104 0.000 0.815 221 V CB 1.117 32.976 31.823 0.060 0.000 1.025 221 V HN 0.575 nan 8.190 nan 0.000 0.448 222 P HA 0.507 nan 4.420 nan 0.000 0.272 222 P C 0.359 177.737 177.300 0.130 0.000 1.223 222 P CA 0.667 63.888 63.100 0.202 0.000 0.784 222 P CB 1.779 33.641 31.700 0.270 0.000 0.923 223 G N 0.480 109.241 108.800 -0.067 0.000 2.347 223 G HA2 0.222 4.181 3.960 -0.003 0.000 0.224 223 G HA3 0.222 4.181 3.960 -0.003 0.000 0.224 223 G C -1.748 172.640 174.900 -0.853 0.000 1.318 223 G CA -0.769 43.947 45.100 -0.640 0.000 1.016 223 G HN 0.356 nan 8.290 nan 0.000 0.469 224 F N 0.428 120.268 119.950 -0.183 0.000 2.579 224 F HA 0.591 5.116 4.527 -0.003 0.000 0.324 224 F C 1.599 177.354 175.800 -0.075 0.000 1.058 224 F CA -0.290 57.613 58.000 -0.162 0.000 0.944 224 F CB 2.060 40.953 39.000 -0.179 0.000 1.245 224 F HN 0.748 nan 8.300 nan 0.000 0.477 225 G N 0.773 109.661 108.800 0.147 0.000 2.480 225 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.216 225 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.216 225 G C -0.955 173.958 174.900 0.023 0.000 1.200 225 G CA 0.854 45.987 45.100 0.055 0.000 0.782 225 G HN 0.471 nan 8.290 nan 0.000 0.554 226 P HA -0.032 nan 4.420 nan 0.000 0.223 226 P C 1.811 179.125 177.300 0.024 0.000 1.144 226 P CA 2.059 65.163 63.100 0.006 0.000 0.783 226 P CB -0.011 31.688 31.700 -0.002 0.000 0.771 227 T N -4.099 110.491 114.554 0.060 0.000 3.480 227 T HA 0.321 4.669 4.350 -0.003 0.000 0.229 227 T C 1.938 176.658 174.700 0.034 0.000 0.944 227 T CA 0.575 62.709 62.100 0.056 0.000 1.388 227 T CB -1.084 67.841 68.868 0.095 0.000 1.180 227 T HN -0.095 nan 8.240 nan 0.000 0.414 228 A N 1.862 124.700 122.820 0.030 0.000 1.858 228 A HA 0.246 4.564 4.320 -0.003 0.000 0.216 228 A C 2.662 180.259 177.584 0.021 0.000 1.190 228 A CA 2.079 54.129 52.037 0.022 0.000 0.617 228 A CB -1.789 17.216 19.000 0.008 0.000 0.827 228 A HN 0.707 nan 8.150 nan 0.000 0.443 229 G N -0.507 108.301 108.800 0.014 0.000 2.459 229 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.217 229 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.217 229 G C 1.782 176.666 174.900 -0.026 0.000 1.183 229 G CA 1.761 46.857 45.100 -0.007 0.000 0.776 229 G HN 0.885 nan 8.290 nan 0.000 0.552 230 A N 1.064 123.866 122.820 -0.030 0.000 1.933 230 A HA 0.245 4.564 4.320 -0.003 0.000 0.218 230 A C 2.815 180.395 177.584 -0.007 0.000 1.175 230 A CA 2.295 54.312 52.037 -0.034 0.000 0.628 230 A CB -0.749 18.232 19.000 -0.031 0.000 0.814 230 A HN 0.843 nan 8.150 nan 0.000 0.444 231 A N 0.101 122.928 122.820 0.012 0.000 1.902 231 A HA -0.094 4.224 4.320 -0.003 0.000 0.217 231 A C 2.119 179.747 177.584 0.074 0.000 1.181 231 A CA 1.570 53.629 52.037 0.036 0.000 0.623 231 A CB -0.596 18.432 19.000 0.047 0.000 0.818 231 A HN 0.519 nan 8.150 nan 0.000 0.443 232 I N -0.322 120.282 120.570 0.055 0.000 2.202 232 I HA -0.234 3.934 4.170 -0.003 0.000 0.242 232 I C 2.928 179.077 176.117 0.054 0.000 1.091 232 I CA 1.077 62.411 61.300 0.058 0.000 1.368 232 I CB -0.456 37.561 38.000 0.028 0.000 1.058 232 I HN 0.333 nan 8.210 nan 0.000 0.410 233 A N -0.002 122.830 122.820 0.020 0.000 2.019 233 A HA -0.147 4.171 4.320 -0.003 0.000 0.219 233 A C 2.377 179.970 177.584 0.014 0.000 1.164 233 A CA 2.044 54.083 52.037 0.004 0.000 0.644 233 A CB -0.443 18.535 19.000 -0.038 0.000 0.805 233 A HN 0.415 nan 8.150 nan 0.000 0.449 234 S N -1.378 114.336 115.700 0.023 0.000 2.503 234 S HA 0.071 4.540 4.470 -0.003 0.000 0.215 234 S C 0.728 175.346 174.600 0.031 0.000 1.003 234 S CA -0.547 57.660 58.200 0.011 0.000 0.910 234 S CB -0.235 62.957 63.200 -0.014 0.000 0.790 234 S HN 0.695 nan 8.310 nan 0.000 0.514 235 H N 3.076 122.135 119.070 -0.018 0.000 3.064 235 H HA 0.009 4.563 4.556 -0.003 0.000 0.329 235 H C 0.814 176.133 175.328 -0.016 0.000 1.020 235 H CA 0.714 56.753 56.048 -0.015 0.000 1.402 235 H CB 0.571 30.324 29.762 -0.016 0.000 1.379 235 H HN 0.182 nan 8.280 nan 0.000 0.594 236 E N 3.196 123.448 120.200 0.087 0.000 2.427 236 E HA -0.105 4.243 4.350 -0.003 0.000 0.196 236 E C 0.627 177.339 176.600 0.187 0.000 1.028 236 E CA 0.596 57.053 56.400 0.096 0.000 0.864 236 E CB 0.290 29.991 29.700 0.001 0.000 0.813 236 E HN 0.564 nan 8.360 nan 0.000 0.514 237 D N -0.279 120.368 120.400 0.413 0.000 2.431 237 D HA 0.053 4.691 4.640 -0.003 0.000 0.213 237 D C -0.558 175.734 176.300 -0.014 0.000 1.130 237 D CA -0.037 54.053 54.000 0.149 0.000 0.834 237 D CB 0.727 41.610 40.800 0.137 0.000 0.985 237 D HN -0.198 nan 8.370 nan 0.000 0.504 238 V N 1.794 121.705 119.914 -0.006 0.000 2.406 238 V HA 0.113 4.232 4.120 -0.003 0.000 0.272 238 V C 0.932 177.004 176.094 -0.037 0.000 1.043 238 V CA -0.232 62.028 62.300 -0.067 0.000 0.915 238 V CB 1.683 33.473 31.823 -0.056 0.000 0.988 238 V HN 0.079 nan 8.190 nan 0.000 0.466 239 D N 3.356 123.715 120.400 -0.069 0.000 2.249 239 D HA 0.026 4.664 4.640 -0.003 0.000 0.205 239 D C 0.783 177.054 176.300 -0.048 0.000 0.962 239 D CA 0.912 54.877 54.000 -0.059 0.000 0.860 239 D CB 0.649 41.389 40.800 -0.100 0.000 0.955 239 D HN 0.477 nan 8.370 nan 0.000 0.505 240 K N 0.573 120.946 120.400 -0.046 0.000 2.542 240 K HA 0.328 4.646 4.320 -0.003 0.000 0.259 240 K C -2.062 174.525 176.600 -0.020 0.000 0.932 240 K CA -0.558 55.702 56.287 -0.044 0.000 0.820 240 K CB 3.084 35.539 32.500 -0.076 0.000 1.345 240 K HN -0.187 nan 8.250 nan 0.000 0.432 241 V N 2.784 122.688 119.914 -0.016 0.000 2.409 241 V HA 0.749 4.867 4.120 -0.003 0.000 0.291 241 V C -1.128 174.981 176.094 0.025 0.000 1.020 241 V CA -0.345 61.966 62.300 0.018 0.000 0.848 241 V CB 1.262 33.101 31.823 0.027 0.000 0.990 241 V HN 0.855 nan 8.190 nan 0.000 0.430 242 A N 7.182 130.037 122.820 0.058 0.000 2.277 242 A HA 0.744 5.063 4.320 -0.003 0.000 0.318 242 A C -1.030 176.641 177.584 0.145 0.000 1.339 242 A CA -0.417 51.658 52.037 0.064 0.000 0.875 242 A CB 0.445 19.479 19.000 0.056 0.000 1.158 242 A HN 1.033 nan 8.150 nan 0.000 0.514 243 F N 2.675 122.621 119.950 -0.007 0.000 2.443 243 F HA 0.728 5.253 4.527 -0.003 0.000 0.335 243 F C -0.261 175.535 175.800 -0.007 0.000 1.104 243 F CA -0.294 57.705 58.000 -0.002 0.000 1.013 243 F CB 2.026 41.023 39.000 -0.006 0.000 1.136 243 F HN 0.358 nan 8.300 nan 0.000 0.470 244 T N 4.704 118.731 114.554 -0.879 0.000 2.841 244 T HA 0.795 5.143 4.350 -0.003 0.000 0.285 244 T C -0.091 173.930 174.700 -1.132 0.000 0.991 244 T CA -0.151 61.432 62.100 -0.863 0.000 0.966 244 T CB 1.123 69.798 68.868 -0.322 0.000 0.962 244 T HN 1.177 nan 8.240 nan 0.000 0.438 245 G N 1.818 110.035 108.800 -0.971 0.000 2.403 245 G HA2 0.320 4.278 3.960 -0.003 0.000 0.223 245 G HA3 0.320 4.278 3.960 -0.003 0.000 0.223 245 G C -0.296 174.456 174.900 -0.247 0.000 1.287 245 G CA -0.245 44.542 45.100 -0.521 0.000 0.982 245 G HN 1.120 nan 8.290 nan 0.000 0.471 246 S N 0.093 115.807 115.700 0.024 0.000 2.642 246 S HA 0.258 4.726 4.470 -0.003 0.000 0.308 246 S C 1.560 176.244 174.600 0.140 0.000 1.255 246 S CA 1.463 59.700 58.200 0.062 0.000 1.057 246 S CB 0.577 63.855 63.200 0.130 0.000 0.785 246 S HN 1.246 nan 8.310 nan 0.000 0.500 247 T N 3.366 117.971 114.554 0.085 0.000 2.929 247 T HA -0.083 4.265 4.350 -0.003 0.000 0.271 247 T C 1.506 176.290 174.700 0.141 0.000 1.085 247 T CA 1.475 63.658 62.100 0.138 0.000 1.125 247 T CB -0.279 68.718 68.868 0.215 0.000 0.874 247 T HN 0.854 nan 8.240 nan 0.000 0.494 248 E N 0.447 120.718 120.200 0.119 0.000 2.033 248 E HA -0.078 4.271 4.350 -0.003 0.000 0.189 248 E C 1.894 178.539 176.600 0.074 0.000 0.979 248 E CA 0.600 57.050 56.400 0.083 0.000 0.802 248 E CB 0.043 29.779 29.700 0.061 0.000 0.763 248 E HN 0.218 nan 8.360 nan 0.000 0.449 249 I N 1.235 121.862 120.570 0.094 0.000 2.361 249 I HA -0.144 4.025 4.170 -0.003 0.000 0.251 249 I C 2.470 178.575 176.117 -0.019 0.000 1.133 249 I CA 1.391 62.681 61.300 -0.017 0.000 1.413 249 I CB -1.756 36.189 38.000 -0.092 0.000 1.073 249 I HN 0.204 nan 8.210 nan 0.000 0.424 250 G N 0.922 109.913 108.800 0.318 0.000 2.503 250 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.221 250 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.221 250 G C 1.882 176.863 174.900 0.135 0.000 1.131 250 G CA 0.603 45.932 45.100 0.383 0.000 0.756 250 G HN 0.356 nan 8.290 nan 0.000 0.572 251 R N -0.223 120.321 120.500 0.073 0.000 2.092 251 R HA 0.001 4.339 4.340 -0.003 0.000 0.231 251 R C 2.647 178.941 176.300 -0.010 0.000 1.119 251 R CA 1.124 57.240 56.100 0.028 0.000 0.970 251 R CB -0.551 29.762 30.300 0.021 0.000 0.864 251 R HN 0.350 nan 8.270 nan 0.000 0.440 252 V N 1.590 121.478 119.914 -0.044 0.000 2.407 252 V HA -0.235 3.884 4.120 -0.003 0.000 0.248 252 V C 2.324 178.368 176.094 -0.084 0.000 1.055 252 V CA 1.396 63.652 62.300 -0.073 0.000 1.049 252 V CB -0.469 31.289 31.823 -0.108 0.000 0.662 252 V HN 0.177 nan 8.190 nan 0.000 0.455 253 I N 0.098 120.601 120.570 -0.112 0.000 2.142 253 I HA -0.274 3.894 4.170 -0.003 0.000 0.240 253 I C 2.569 178.666 176.117 -0.033 0.000 1.078 253 I CA 1.690 62.935 61.300 -0.092 0.000 1.343 253 I CB -1.421 36.529 38.000 -0.084 0.000 1.046 253 I HN 0.412 nan 8.210 nan 0.000 0.405 254 Q N 0.288 120.083 119.800 -0.009 0.000 2.135 254 Q HA -0.162 4.176 4.340 -0.003 0.000 0.204 254 Q C 2.297 178.289 176.000 -0.014 0.000 0.981 254 Q CA 1.648 57.449 55.803 -0.003 0.000 0.856 254 Q CB 0.185 28.926 28.738 0.005 0.000 0.902 254 Q HN 0.346 nan 8.270 nan 0.000 0.425 255 V N -0.012 119.890 119.914 -0.019 0.000 2.446 255 V HA -0.115 4.003 4.120 -0.003 0.000 0.244 255 V C 2.171 178.251 176.094 -0.023 0.000 1.039 255 V CA 1.381 63.669 62.300 -0.021 0.000 1.045 255 V CB -0.560 31.250 31.823 -0.022 0.000 0.681 255 V HN 0.472 nan 8.190 nan 0.000 0.459 256 A N 0.184 122.986 122.820 -0.030 0.000 1.940 256 A HA -0.138 4.180 4.320 -0.003 0.000 0.219 256 A C 2.365 179.937 177.584 -0.021 0.000 1.176 256 A CA 2.123 54.142 52.037 -0.029 0.000 0.631 256 A CB -0.667 18.308 19.000 -0.040 0.000 0.814 256 A HN 0.558 nan 8.150 nan 0.000 0.446 257 A N -0.676 122.133 122.820 -0.019 0.000 1.929 257 A HA 0.199 4.518 4.320 -0.003 0.000 0.216 257 A C 2.342 179.919 177.584 -0.012 0.000 1.176 257 A CA 1.685 53.715 52.037 -0.012 0.000 0.628 257 A CB -1.163 17.831 19.000 -0.010 0.000 0.816 257 A HN 0.696 nan 8.150 nan 0.000 0.444 258 G N -1.017 107.775 108.800 -0.015 0.000 2.421 258 G HA2 -0.024 3.934 3.960 -0.003 0.000 0.217 258 G HA3 -0.024 3.934 3.960 -0.003 0.000 0.217 258 G C 1.546 176.437 174.900 -0.014 0.000 1.143 258 G CA 1.239 46.330 45.100 -0.015 0.000 0.784 258 G HN 0.504 nan 8.290 nan 0.000 0.541 259 S N 0.202 115.893 115.700 -0.016 0.000 2.517 259 S HA 0.066 4.535 4.470 -0.003 0.000 0.214 259 S C 2.423 177.013 174.600 -0.016 0.000 0.991 259 S CA 0.674 58.864 58.200 -0.016 0.000 0.906 259 S CB 0.335 63.524 63.200 -0.018 0.000 0.789 259 S HN 0.573 nan 8.310 nan 0.000 0.513 260 S N 3.546 119.238 115.700 -0.013 0.000 2.297 260 S HA 0.032 4.500 4.470 -0.003 0.000 0.200 260 S C 1.070 175.667 174.600 -0.006 0.000 1.011 260 S CA 0.843 59.037 58.200 -0.011 0.000 0.938 260 S CB -0.437 62.760 63.200 -0.004 0.000 0.924 260 S HN 0.549 nan 8.310 nan 0.000 0.504 261 N N 0.456 119.156 118.700 -0.000 0.000 2.217 261 N HA 0.267 5.006 4.740 -0.003 0.000 0.239 261 N C -0.001 175.508 175.510 -0.001 0.000 1.330 261 N CA -0.110 52.941 53.050 0.003 0.000 0.838 261 N CB -0.529 37.968 38.487 0.016 0.000 1.287 261 N HN 0.459 nan 8.380 nan 0.000 0.498 262 L N 0.022 121.241 121.223 -0.006 0.000 3.717 262 L HA -0.296 4.042 4.340 -0.003 0.000 0.414 262 L C -0.115 176.747 176.870 -0.013 0.000 1.228 262 L CA 0.791 55.625 54.840 -0.011 0.000 0.918 262 L CB -1.683 40.370 42.059 -0.011 0.000 1.865 262 L HN 0.478 nan 8.230 nan 0.000 0.922 263 K N 0.324 120.718 120.400 -0.011 0.000 2.276 263 K HA 0.380 4.698 4.320 -0.003 0.000 0.259 263 K C 0.499 177.083 176.600 -0.027 0.000 1.001 263 K CA -0.726 55.551 56.287 -0.017 0.000 0.927 263 K CB 0.731 33.224 32.500 -0.011 0.000 0.969 263 K HN 0.109 nan 8.250 nan 0.000 0.490 264 R N 1.156 121.632 120.500 -0.039 0.000 2.449 264 R HA 0.090 4.428 4.340 -0.003 0.000 0.296 264 R C -1.052 175.214 176.300 -0.057 0.000 1.047 264 R CA -0.156 55.910 56.100 -0.056 0.000 1.018 264 R CB 0.414 30.666 30.300 -0.079 0.000 0.962 264 R HN 0.449 nan 8.270 nan 0.000 0.428 265 V N 3.982 123.865 119.914 -0.051 0.000 2.443 265 V HA 0.239 4.357 4.120 -0.003 0.000 0.293 265 V C 0.036 176.102 176.094 -0.046 0.000 1.021 265 V CA -0.839 61.440 62.300 -0.035 0.000 0.848 265 V CB 1.734 33.550 31.823 -0.010 0.000 0.998 265 V HN 0.912 nan 8.190 nan 0.000 0.424 266 T N 3.878 118.398 114.554 -0.056 0.000 2.859 266 T HA 0.857 5.205 4.350 -0.003 0.000 0.281 266 T C -0.781 173.903 174.700 -0.026 0.000 1.005 266 T CA -0.615 61.444 62.100 -0.067 0.000 1.025 266 T CB 1.433 70.227 68.868 -0.123 0.000 0.977 266 T HN 0.368 nan 8.240 nan 0.000 0.458 267 L N 1.837 123.040 121.223 -0.034 0.000 2.381 267 L HA 0.634 4.972 4.340 -0.003 0.000 0.268 267 L C -0.412 176.405 176.870 -0.088 0.000 0.997 267 L CA -0.914 53.912 54.840 -0.023 0.000 0.818 267 L CB 2.402 44.481 42.059 0.033 0.000 1.310 267 L HN 0.735 nan 8.230 nan 0.000 0.416 268 E N 3.295 123.402 120.200 -0.156 0.000 2.325 268 E HA 0.518 4.867 4.350 -0.003 0.000 0.248 268 E C -1.093 175.381 176.600 -0.209 0.000 0.912 268 E CA -0.229 56.057 56.400 -0.189 0.000 0.782 268 E CB 1.668 31.235 29.700 -0.222 0.000 1.264 268 E HN 0.368 nan 8.360 nan 0.000 0.417 269 L N 0.383 121.540 121.223 -0.110 0.000 2.585 269 L HA 0.708 5.046 4.340 -0.003 0.000 0.260 269 L C 1.240 178.064 176.870 -0.077 0.000 1.085 269 L CA -1.318 53.479 54.840 -0.071 0.000 0.913 269 L CB 0.185 42.277 42.059 0.055 0.000 1.638 269 L HN 0.465 nan 8.230 nan 0.000 0.531 270 G N -1.483 107.266 108.800 -0.085 0.000 2.631 270 G HA2 0.485 4.443 3.960 -0.003 0.000 0.271 270 G HA3 0.485 4.443 3.960 -0.003 0.000 0.271 270 G C -0.374 174.145 174.900 -0.636 0.000 1.302 270 G CA 0.278 45.222 45.100 -0.260 0.000 1.002 270 G HN 0.872 nan 8.290 nan 0.000 0.519 271 G N -1.835 106.435 108.800 -0.883 0.000 2.660 271 G HA2 0.503 4.461 3.960 -0.003 0.000 0.290 271 G HA3 0.503 4.461 3.960 -0.003 0.000 0.290 271 G C -1.096 173.449 174.900 -0.592 0.000 1.432 271 G CA -0.613 43.948 45.100 -0.899 0.000 0.807 271 G HN 0.574 nan 8.290 nan 0.000 0.485 272 K N 0.513 120.861 120.400 -0.087 0.000 3.350 272 K HA 0.398 4.716 4.320 -0.003 0.000 0.181 272 K C 0.110 176.819 176.600 0.181 0.000 1.064 272 K CA -0.315 56.052 56.287 0.134 0.000 0.839 272 K CB 0.161 32.851 32.500 0.317 0.000 0.819 272 K HN 0.408 nan 8.250 nan 0.000 0.523 273 S N 3.542 119.342 115.700 0.166 0.000 2.575 273 S HA 0.068 4.536 4.470 -0.003 0.000 0.295 273 S C -2.319 172.437 174.600 0.261 0.000 1.267 273 S CA -0.410 57.922 58.200 0.220 0.000 1.074 273 S CB 0.144 63.522 63.200 0.297 0.000 0.829 273 S HN 0.348 nan 8.310 nan 0.000 0.497 274 P HA 0.210 nan 4.420 nan 0.000 0.293 274 P C -0.998 176.511 177.300 0.348 0.000 1.300 274 P CA -0.652 62.655 63.100 0.345 0.000 0.792 274 P CB 0.492 32.347 31.700 0.260 0.000 0.925 275 N N 4.050 122.969 118.700 0.364 0.000 2.485 275 N HA 0.288 5.026 4.740 -0.003 0.000 0.243 275 N C -0.741 174.960 175.510 0.319 0.000 0.987 275 N CA -0.607 52.654 53.050 0.352 0.000 0.940 275 N CB 0.329 38.937 38.487 0.202 0.000 1.122 275 N HN 0.317 nan 8.380 nan 0.000 0.509 276 I N 5.047 125.799 120.570 0.302 0.000 2.297 276 I HA 0.258 4.427 4.170 -0.003 0.000 0.291 276 I C -0.069 176.229 176.117 0.303 0.000 1.033 276 I CA -0.618 60.826 61.300 0.239 0.000 1.253 276 I CB 1.006 39.023 38.000 0.028 0.000 1.396 276 I HN 0.345 nan 8.210 nan 0.000 0.476 277 I N 7.022 127.757 120.570 0.275 0.000 2.306 277 I HA 0.309 4.477 4.170 -0.003 0.000 0.288 277 I C 0.149 176.430 176.117 0.274 0.000 1.036 277 I CA -0.456 60.955 61.300 0.184 0.000 1.221 277 I CB 0.717 38.604 38.000 -0.189 0.000 1.385 277 I HN 0.466 nan 8.210 nan 0.000 0.472 278 M N 4.019 123.792 119.600 0.288 0.000 2.255 278 M HA 0.185 4.664 4.480 -0.003 0.000 0.336 278 M C 1.669 178.056 176.300 0.144 0.000 1.135 278 M CA -0.173 55.277 55.300 0.251 0.000 1.145 278 M CB 0.829 33.570 32.600 0.234 0.000 1.473 278 M HN 0.658 nan 8.290 nan 0.000 0.462 279 S N 0.731 116.481 115.700 0.084 0.000 2.402 279 S HA -0.187 4.281 4.470 -0.003 0.000 0.233 279 S C 0.897 175.547 174.600 0.082 0.000 1.030 279 S CA 1.607 59.839 58.200 0.054 0.000 1.003 279 S CB -0.574 62.638 63.200 0.021 0.000 0.813 279 S HN 0.774 nan 8.310 nan 0.000 0.477 280 D N 1.951 122.411 120.400 0.098 0.000 2.328 280 D HA 0.357 4.996 4.640 -0.003 0.000 0.226 280 D C 0.613 176.992 176.300 0.132 0.000 1.066 280 D CA 0.278 54.337 54.000 0.098 0.000 0.861 280 D CB -0.387 40.463 40.800 0.083 0.000 0.912 280 D HN 0.551 nan 8.370 nan 0.000 0.521 281 A N 0.403 123.326 122.820 0.172 0.000 2.346 281 A HA 0.176 4.494 4.320 -0.003 0.000 0.252 281 A C 0.277 177.999 177.584 0.229 0.000 1.089 281 A CA -0.378 51.804 52.037 0.242 0.000 0.797 281 A CB 0.203 19.400 19.000 0.327 0.000 1.047 281 A HN 0.130 nan 8.150 nan 0.000 0.494 282 D N 1.374 121.947 120.400 0.289 0.000 2.342 282 D HA 0.102 4.740 4.640 -0.003 0.000 0.260 282 D C 1.043 177.515 176.300 0.287 0.000 1.278 282 D CA -0.136 54.027 54.000 0.271 0.000 0.910 282 D CB 0.475 41.457 40.800 0.304 0.000 1.079 282 D HN 0.449 nan 8.370 nan 0.000 0.496 283 M N 4.150 123.876 119.600 0.209 0.000 2.082 283 M HA -0.213 4.265 4.480 -0.003 0.000 0.258 283 M C 1.084 177.485 176.300 0.169 0.000 1.071 283 M CA 1.786 57.204 55.300 0.196 0.000 1.103 283 M CB -0.343 32.343 32.600 0.142 0.000 1.307 283 M HN 0.290 nan 8.290 nan 0.000 0.409 284 D N -0.775 119.713 120.400 0.147 0.000 2.116 284 D HA -0.257 4.381 4.640 -0.003 0.000 0.193 284 D C 1.818 178.227 176.300 0.181 0.000 0.998 284 D CA 1.638 55.709 54.000 0.119 0.000 0.836 284 D CB -0.814 40.059 40.800 0.121 0.000 0.951 284 D HN 0.672 nan 8.370 nan 0.000 0.449 285 W N 1.589 122.934 121.300 0.076 0.000 2.355 285 W HA -0.179 4.479 4.660 -0.003 0.000 0.309 285 W C 2.191 178.779 176.519 0.116 0.000 1.206 285 W CA 1.580 58.994 57.345 0.115 0.000 1.284 285 W CB -0.112 29.452 29.460 0.173 0.000 1.145 285 W HN -0.004 nan 8.180 nan 0.000 0.502 286 A N 0.316 123.203 122.820 0.111 0.000 1.908 286 A HA -0.189 4.129 4.320 -0.003 0.000 0.218 286 A C 2.030 179.543 177.584 -0.119 0.000 1.181 286 A CA 2.216 54.111 52.037 -0.236 0.000 0.627 286 A CB -1.142 17.858 19.000 0.001 0.000 0.818 286 A HN 0.166 nan 8.150 nan 0.000 0.445 287 V N -0.306 119.616 119.914 0.014 0.000 2.379 287 V HA -0.169 3.949 4.120 -0.003 0.000 0.245 287 V C 2.585 178.565 176.094 -0.190 0.000 1.044 287 V CA 2.277 64.445 62.300 -0.219 0.000 1.036 287 V CB -0.552 31.036 31.823 -0.391 0.000 0.664 287 V HN 0.628 nan 8.190 nan 0.000 0.453 288 E N -0.329 119.760 120.200 -0.185 0.000 2.152 288 E HA -0.148 4.201 4.350 -0.003 0.000 0.192 288 E C 2.265 178.760 176.600 -0.175 0.000 0.983 288 E CA 0.920 57.218 56.400 -0.170 0.000 0.818 288 E CB -0.135 29.462 29.700 -0.172 0.000 0.758 288 E HN 0.454 nan 8.360 nan 0.000 0.467 289 Q N -0.562 119.021 119.800 -0.361 0.000 2.123 289 Q HA 0.054 4.393 4.340 -0.003 0.000 0.199 289 Q C 2.035 177.948 176.000 -0.146 0.000 0.966 289 Q CA 1.266 56.877 55.803 -0.319 0.000 0.845 289 Q CB -0.251 28.195 28.738 -0.486 0.000 0.907 289 Q HN 0.340 nan 8.270 nan 0.000 0.439 290 A N -0.051 122.665 122.820 -0.172 0.000 1.898 290 A HA -0.218 4.101 4.320 -0.003 0.000 0.216 290 A C 1.908 179.492 177.584 0.001 0.000 1.181 290 A CA 1.812 53.798 52.037 -0.085 0.000 0.620 290 A CB -0.789 18.325 19.000 0.189 0.000 0.819 290 A HN 0.468 nan 8.150 nan 0.000 0.442 291 H N -1.586 117.488 119.070 0.007 0.000 2.319 291 H HA -0.184 4.371 4.556 -0.003 0.000 0.299 291 H C 1.733 177.195 175.328 0.225 0.000 1.092 291 H CA 2.361 58.508 56.048 0.165 0.000 1.302 291 H CB -0.383 29.439 29.762 0.100 0.000 1.373 291 H HN 0.482 nan 8.280 nan 0.000 0.497 292 F N 0.582 120.581 119.950 0.082 0.000 2.102 292 F HA -0.159 4.367 4.527 -0.003 0.000 0.298 292 F C 2.594 178.356 175.800 -0.062 0.000 1.105 292 F CA 1.337 59.358 58.000 0.035 0.000 1.239 292 F CB -0.632 38.345 39.000 -0.039 0.000 0.991 292 F HN 0.309 nan 8.300 nan 0.000 0.474 293 A N 0.136 122.811 122.820 -0.242 0.000 1.958 293 A HA -0.246 4.072 4.320 -0.003 0.000 0.221 293 A C 2.081 179.377 177.584 -0.479 0.000 1.178 293 A CA 2.279 53.913 52.037 -0.672 0.000 0.642 293 A CB -1.001 17.293 19.000 -1.177 0.000 0.816 293 A HN 0.610 nan 8.150 nan 0.000 0.453 294 L N -3.622 117.365 121.223 -0.393 0.000 2.362 294 L HA 0.352 4.691 4.340 -0.003 0.000 0.204 294 L C 1.869 178.463 176.870 -0.462 0.000 1.060 294 L CA 0.657 55.230 54.840 -0.445 0.000 0.827 294 L CB 0.101 41.805 42.059 -0.591 0.000 1.027 294 L HN 0.266 nan 8.230 nan 0.000 0.474 295 F N -0.712 119.064 119.950 -0.290 0.000 2.780 295 F HA 0.055 4.581 4.527 -0.003 0.000 0.299 295 F C 0.941 176.638 175.800 -0.171 0.000 1.146 295 F CA -0.137 57.702 58.000 -0.269 0.000 1.428 295 F CB -0.058 38.667 39.000 -0.458 0.000 1.115 295 F HN -0.045 nan 8.300 nan 0.000 0.583 296 F N 1.875 121.674 119.950 -0.252 0.000 2.602 296 F HA -0.047 4.478 4.527 -0.003 0.000 0.367 296 F C 1.211 176.913 175.800 -0.163 0.000 1.126 296 F CA -0.115 57.706 58.000 -0.298 0.000 1.321 296 F CB 0.202 38.758 39.000 -0.740 0.000 1.094 296 F HN 0.080 nan 8.300 nan 0.000 0.594 297 N N 3.532 121.668 118.700 -0.940 0.000 2.725 297 N HA -0.300 4.439 4.740 -0.003 0.000 0.251 297 N C -0.030 175.220 175.510 -0.432 0.000 1.031 297 N CA 1.384 53.927 53.050 -0.845 0.000 0.720 297 N CB -1.069 36.750 38.487 -1.112 0.000 0.930 297 N HN 0.782 nan 8.380 nan 0.000 0.543 298 Q N -1.930 117.730 119.800 -0.233 0.000 2.461 298 Q HA -0.199 4.140 4.340 -0.003 0.000 0.264 298 Q C 1.258 177.189 176.000 -0.116 0.000 1.085 298 Q CA 2.237 57.979 55.803 -0.100 0.000 1.006 298 Q CB -1.723 26.959 28.738 -0.093 0.000 1.437 298 Q HN 1.156 nan 8.270 nan 0.000 0.514 299 G N -1.309 107.371 108.800 -0.199 0.000 2.179 299 G HA2 -0.385 3.574 3.960 -0.003 0.000 0.260 299 G HA3 -0.385 3.574 3.960 -0.003 0.000 0.260 299 G C 0.076 174.660 174.900 -0.526 0.000 0.977 299 G CA 0.362 45.287 45.100 -0.292 0.000 0.641 299 G HN 0.453 nan 8.290 nan 0.000 0.533 300 Q N 0.272 119.722 119.800 -0.583 0.000 3.006 300 Q HA 0.509 4.847 4.340 -0.003 0.000 0.260 300 Q C -0.328 175.084 176.000 -0.981 0.000 1.356 300 Q CA -0.096 55.065 55.803 -1.071 0.000 1.070 300 Q CB 0.398 28.984 28.738 -0.253 0.000 1.507 300 Q HN 0.416 nan 8.270 nan 0.000 0.568 301 C N -0.145 118.600 119.300 -0.926 0.000 2.535 301 C HA 0.213 4.671 4.460 -0.003 0.000 0.319 301 C C 1.820 176.772 174.990 -0.063 0.000 1.171 301 C CA -1.151 57.748 59.018 -0.198 0.000 1.394 301 C CB 0.537 28.363 27.740 0.142 0.000 1.990 301 C HN 0.904 nan 8.230 nan 0.000 0.466 302 C N -0.181 119.278 119.300 0.265 0.000 2.411 302 C HA -0.107 4.351 4.460 -0.003 0.000 0.279 302 C C 1.976 177.101 174.990 0.225 0.000 1.288 302 C CA 1.167 60.370 59.018 0.309 0.000 1.764 302 C CB -2.246 25.630 27.740 0.226 0.000 1.974 302 C HN 0.964 nan 8.230 nan 0.000 0.498 303 C N 1.074 120.572 119.300 0.331 0.000 2.589 303 C HA 0.716 5.175 4.460 -0.003 0.000 0.307 303 C C 1.325 176.566 174.990 0.417 0.000 1.328 303 C CA -0.919 58.340 59.018 0.403 0.000 1.742 303 C CB -2.418 25.698 27.740 0.627 0.000 2.037 303 C HN 0.656 nan 8.230 nan 0.000 0.592 304 A N 1.144 124.099 122.820 0.225 0.000 2.565 304 A HA 0.435 4.754 4.320 -0.003 0.000 0.237 304 A C 1.211 178.883 177.584 0.147 0.000 1.053 304 A CA 0.818 52.926 52.037 0.117 0.000 0.755 304 A CB -0.117 18.829 19.000 -0.091 0.000 0.980 304 A HN 1.168 nan 8.150 nan 0.000 0.506 305 G N 1.823 110.621 108.800 -0.003 0.000 3.003 305 G HA2 0.294 4.253 3.960 -0.003 0.000 0.266 305 G HA3 0.294 4.253 3.960 -0.003 0.000 0.266 305 G C 0.953 175.800 174.900 -0.089 0.000 0.755 305 G CA 0.367 45.428 45.100 -0.066 0.000 2.061 305 G HN 1.118 nan 8.290 nan 0.000 0.599 306 S N 0.440 116.125 115.700 -0.025 0.000 2.561 306 S HA 0.116 4.584 4.470 -0.003 0.000 0.225 306 S C 1.058 175.630 174.600 -0.047 0.000 0.977 306 S CA 0.044 58.202 58.200 -0.070 0.000 0.926 306 S CB 0.462 63.630 63.200 -0.053 0.000 0.769 306 S HN 0.419 nan 8.310 nan 0.000 0.533 307 R N 1.744 122.248 120.500 0.007 0.000 2.412 307 R HA 0.318 4.656 4.340 -0.003 0.000 0.304 307 R C -1.261 175.031 176.300 -0.013 0.000 1.066 307 R CA -0.081 55.997 56.100 -0.037 0.000 0.923 307 R CB 1.444 31.793 30.300 0.083 0.000 1.156 307 R HN 0.118 nan 8.270 nan 0.000 0.513 308 T N 4.298 118.794 114.554 -0.095 0.000 2.811 308 T HA 0.296 4.644 4.350 -0.003 0.000 0.309 308 T C -0.275 174.395 174.700 -0.050 0.000 1.005 308 T CA -0.176 61.915 62.100 -0.016 0.000 0.955 308 T CB -0.071 68.808 68.868 0.018 0.000 0.970 308 T HN 0.178 nan 8.240 nan 0.000 0.496 309 F N 2.696 122.699 119.950 0.088 0.000 2.424 309 F HA 0.453 4.978 4.527 -0.003 0.000 0.356 309 F C 0.344 176.329 175.800 0.308 0.000 1.110 309 F CA -0.764 57.362 58.000 0.211 0.000 1.161 309 F CB 0.833 39.890 39.000 0.095 0.000 1.115 309 F HN 0.186 nan 8.300 nan 0.000 0.507 310 V N 3.636 123.801 119.914 0.419 0.000 2.540 310 V HA 0.270 4.389 4.120 -0.003 0.000 0.302 310 V C -0.079 175.877 176.094 -0.231 0.000 1.035 310 V CA -1.178 61.196 62.300 0.124 0.000 0.873 310 V CB 1.561 33.365 31.823 -0.032 0.000 0.992 310 V HN 0.570 nan 8.190 nan 0.000 0.428 311 Q N 2.917 122.357 119.800 -0.599 0.000 2.315 311 Q HA -0.006 4.332 4.340 -0.003 0.000 0.289 311 Q C 1.431 177.205 176.000 -0.376 0.000 1.044 311 Q CA 0.413 55.648 55.803 -0.947 0.000 0.920 311 Q CB 1.062 29.471 28.738 -0.550 0.000 1.214 311 Q HN 1.030 nan 8.270 nan 0.000 0.392 312 E N 2.690 122.676 120.200 -0.357 0.000 2.171 312 E HA -0.260 4.088 4.350 -0.003 0.000 0.197 312 E C 0.236 176.813 176.600 -0.038 0.000 0.997 312 E CA 1.773 58.078 56.400 -0.157 0.000 0.810 312 E CB 0.064 29.674 29.700 -0.151 0.000 0.738 312 E HN 0.538 nan 8.360 nan 0.000 0.467 313 D N 0.917 121.282 120.400 -0.059 0.000 2.264 313 D HA -0.061 4.577 4.640 -0.003 0.000 0.208 313 D C 1.881 178.200 176.300 0.032 0.000 0.966 313 D CA 1.234 55.230 54.000 -0.007 0.000 0.864 313 D CB 0.014 40.805 40.800 -0.015 0.000 0.933 313 D HN 0.636 nan 8.370 nan 0.000 0.499 314 I N -3.876 116.719 120.570 0.042 0.000 4.240 314 I HA 0.206 4.375 4.170 -0.003 0.000 0.331 314 I C 1.738 177.934 176.117 0.132 0.000 1.381 314 I CA -0.600 60.748 61.300 0.079 0.000 1.136 314 I CB -0.111 37.931 38.000 0.070 0.000 1.137 314 I HN -0.227 nan 8.210 nan 0.000 0.411 315 Y N 2.709 123.013 120.300 0.007 0.000 2.053 315 Y HA -0.311 4.237 4.550 -0.003 0.000 0.277 315 Y C 2.110 178.067 175.900 0.096 0.000 1.159 315 Y CA 2.301 60.425 58.100 0.040 0.000 1.125 315 Y CB -0.071 38.386 38.460 -0.006 0.000 0.969 315 Y HN 0.171 nan 8.280 nan 0.000 0.492 316 D N 0.176 120.627 120.400 0.085 0.000 2.126 316 D HA -0.263 4.375 4.640 -0.003 0.000 0.190 316 D C 2.075 178.339 176.300 -0.059 0.000 1.001 316 D CA 1.954 55.946 54.000 -0.012 0.000 0.841 316 D CB -0.507 40.337 40.800 0.073 0.000 0.949 316 D HN 0.646 nan 8.370 nan 0.000 0.446 317 E N -0.778 119.424 120.200 0.003 0.000 2.072 317 E HA -0.169 4.180 4.350 -0.003 0.000 0.191 317 E C 2.126 178.715 176.600 -0.018 0.000 0.985 317 E CA 0.426 56.825 56.400 -0.002 0.000 0.801 317 E CB -0.244 29.475 29.700 0.031 0.000 0.750 317 E HN 0.230 nan 8.360 nan 0.000 0.452 318 F N 1.019 120.900 119.950 -0.116 0.000 2.069 318 F HA -0.239 4.286 4.527 -0.003 0.000 0.298 318 F C 2.150 177.847 175.800 -0.172 0.000 1.113 318 F CA 1.514 59.440 58.000 -0.123 0.000 1.214 318 F CB -0.355 38.583 39.000 -0.103 0.000 0.978 318 F HN -0.115 nan 8.300 nan 0.000 0.474 319 V N 0.359 120.204 119.914 -0.115 0.000 2.282 319 V HA -0.371 3.747 4.120 -0.003 0.000 0.249 319 V C 2.357 178.339 176.094 -0.186 0.000 1.057 319 V CA 2.414 64.584 62.300 -0.218 0.000 1.032 319 V CB -0.805 30.767 31.823 -0.419 0.000 0.645 319 V HN 0.388 nan 8.190 nan 0.000 0.447 320 E N -0.344 119.761 120.200 -0.158 0.000 2.070 320 E HA -0.258 4.090 4.350 -0.003 0.000 0.197 320 E C 2.502 179.010 176.600 -0.153 0.000 1.004 320 E CA 1.601 57.927 56.400 -0.123 0.000 0.805 320 E CB -0.068 29.580 29.700 -0.087 0.000 0.744 320 E HN 0.563 nan 8.360 nan 0.000 0.451 321 R N -0.345 120.027 120.500 -0.213 0.000 2.090 321 R HA 0.003 4.341 4.340 -0.003 0.000 0.228 321 R C 2.542 178.662 176.300 -0.299 0.000 1.110 321 R CA 1.200 57.149 56.100 -0.251 0.000 0.973 321 R CB -0.093 30.031 30.300 -0.293 0.000 0.869 321 R HN -0.006 nan 8.270 nan 0.000 0.440 322 S N 0.508 115.974 115.700 -0.389 0.000 2.387 322 S HA -0.058 4.410 4.470 -0.003 0.000 0.226 322 S C 2.107 176.638 174.600 -0.115 0.000 1.026 322 S CA 0.893 58.918 58.200 -0.291 0.000 0.972 322 S CB -0.009 62.994 63.200 -0.328 0.000 0.814 322 S HN 0.047 nan 8.310 nan 0.000 0.477 323 V N 2.011 121.858 119.914 -0.112 0.000 2.358 323 V HA -0.162 3.956 4.120 -0.003 0.000 0.246 323 V C 2.622 178.666 176.094 -0.084 0.000 1.047 323 V CA 1.643 63.902 62.300 -0.068 0.000 1.035 323 V CB -1.132 30.650 31.823 -0.068 0.000 0.658 323 V HN 0.524 nan 8.190 nan 0.000 0.452 324 A N 0.355 123.110 122.820 -0.109 0.000 1.877 324 A HA -0.245 4.073 4.320 -0.003 0.000 0.216 324 A C 2.299 179.799 177.584 -0.139 0.000 1.186 324 A CA 2.023 53.993 52.037 -0.111 0.000 0.620 324 A CB -0.579 18.355 19.000 -0.110 0.000 0.822 324 A HN 0.421 nan 8.150 nan 0.000 0.443 325 R N 0.445 120.835 120.500 -0.182 0.000 2.119 325 R HA -0.146 4.192 4.340 -0.003 0.000 0.246 325 R C 2.092 178.216 176.300 -0.293 0.000 1.146 325 R CA 2.235 58.162 56.100 -0.288 0.000 0.962 325 R CB -1.141 28.936 30.300 -0.373 0.000 0.863 325 R HN 0.438 nan 8.270 nan 0.000 0.442 326 A N 0.453 123.195 122.820 -0.131 0.000 1.898 326 A HA -0.092 4.227 4.320 -0.003 0.000 0.216 326 A C 2.066 179.567 177.584 -0.138 0.000 1.181 326 A CA 1.491 53.464 52.037 -0.107 0.000 0.620 326 A CB -0.406 18.541 19.000 -0.087 0.000 0.819 326 A HN 0.347 nan 8.150 nan 0.000 0.442 327 K N 0.388 120.723 120.400 -0.108 0.000 2.152 327 K HA -0.140 4.178 4.320 -0.003 0.000 0.206 327 K C 2.196 178.741 176.600 -0.091 0.000 1.048 327 K CA 1.642 57.875 56.287 -0.089 0.000 0.933 327 K CB -0.172 32.283 32.500 -0.076 0.000 0.721 327 K HN 0.686 nan 8.250 nan 0.000 0.447 328 S N 0.346 115.979 115.700 -0.112 0.000 2.527 328 S HA -0.031 4.438 4.470 -0.003 0.000 0.222 328 S C 0.892 175.432 174.600 -0.100 0.000 0.985 328 S CA -0.215 57.923 58.200 -0.103 0.000 0.921 328 S CB -0.035 63.094 63.200 -0.118 0.000 0.772 328 S HN 0.151 nan 8.310 nan 0.000 0.529 329 R N 1.800 122.229 120.500 -0.119 0.000 2.502 329 R HA 0.190 4.529 4.340 -0.003 0.000 0.292 329 R C -0.975 175.293 176.300 -0.055 0.000 0.998 329 R CA -0.041 56.006 56.100 -0.088 0.000 1.056 329 R CB 0.202 30.426 30.300 -0.126 0.000 0.939 329 R HN 0.183 nan 8.270 nan 0.000 0.411 330 V N 6.108 126.008 119.914 -0.022 0.000 2.488 330 V HA 0.157 4.275 4.120 -0.003 0.000 0.277 330 V C 0.102 176.208 176.094 0.021 0.000 1.046 330 V CA -0.370 61.927 62.300 -0.006 0.000 0.986 330 V CB 1.390 33.216 31.823 0.004 0.000 0.989 330 V HN 0.467 nan 8.190 nan 0.000 0.475 331 V N 4.480 124.408 119.914 0.023 0.000 2.513 331 V HA 1.014 5.133 4.120 -0.003 0.000 0.299 331 V C 0.606 176.713 176.094 0.021 0.000 1.035 331 V CA 0.541 62.887 62.300 0.076 0.000 0.889 331 V CB 1.060 32.945 31.823 0.103 0.000 0.988 331 V HN 1.198 nan 8.190 nan 0.000 0.440 332 G N 3.294 112.143 108.800 0.081 0.000 2.344 332 G HA2 0.073 4.032 3.960 -0.003 0.000 0.282 332 G HA3 0.073 4.032 3.960 -0.003 0.000 0.282 332 G C -0.894 174.062 174.900 0.095 0.000 1.281 332 G CA -0.814 44.217 45.100 -0.114 0.000 0.877 332 G HN 0.626 nan 8.290 nan 0.000 0.494 333 N N 2.083 120.784 118.700 0.001 0.000 2.386 333 N HA 0.089 4.828 4.740 -0.003 0.000 0.273 333 N C -0.660 174.915 175.510 0.107 0.000 1.331 333 N CA -0.727 52.388 53.050 0.107 0.000 0.891 333 N CB 1.269 39.806 38.487 0.083 0.000 1.139 333 N HN 0.147 nan 8.380 nan 0.000 0.487 334 P HA -0.144 nan 4.420 nan 0.000 0.221 334 P C 0.927 178.175 177.300 -0.086 0.000 1.145 334 P CA 1.247 64.312 63.100 -0.059 0.000 0.795 334 P CB -0.068 31.501 31.700 -0.219 0.000 0.775 335 F N -0.198 119.801 119.950 0.082 0.000 2.710 335 F HA 0.038 4.563 4.527 -0.003 0.000 0.298 335 F C 1.366 177.195 175.800 0.048 0.000 1.137 335 F CA -0.002 58.026 58.000 0.047 0.000 1.444 335 F CB -0.103 38.876 39.000 -0.036 0.000 1.111 335 F HN -0.110 nan 8.300 nan 0.000 0.580 336 D N 0.478 120.993 120.400 0.191 0.000 2.343 336 D HA -0.015 4.623 4.640 -0.003 0.000 0.255 336 D C 1.213 177.583 176.300 0.116 0.000 1.187 336 D CA 0.285 54.359 54.000 0.123 0.000 0.875 336 D CB 1.420 42.265 40.800 0.075 0.000 1.136 336 D HN 0.160 nan 8.370 nan 0.000 0.469 337 S N 4.132 119.900 115.700 0.113 0.000 2.402 337 S HA -0.229 4.239 4.470 -0.003 0.000 0.233 337 S C 1.470 176.117 174.600 0.077 0.000 1.030 337 S CA 0.966 59.230 58.200 0.106 0.000 1.003 337 S CB -0.119 63.133 63.200 0.087 0.000 0.813 337 S HN 0.557 nan 8.310 nan 0.000 0.477 338 K N 1.138 121.573 120.400 0.058 0.000 2.486 338 K HA 0.103 4.421 4.320 -0.003 0.000 0.194 338 K C 0.042 176.668 176.600 0.044 0.000 1.033 338 K CA 0.459 56.770 56.287 0.041 0.000 1.004 338 K CB -0.163 32.351 32.500 0.024 0.000 0.798 338 K HN 0.294 nan 8.250 nan 0.000 0.495 339 T N 1.408 115.997 114.554 0.058 0.000 2.814 339 T HA 0.064 4.412 4.350 -0.003 0.000 0.297 339 T C 0.757 175.500 174.700 0.072 0.000 0.956 339 T CA 0.039 62.176 62.100 0.062 0.000 1.123 339 T CB 1.280 70.192 68.868 0.074 0.000 0.902 339 T HN 0.162 nan 8.240 nan 0.000 0.528 340 E N 1.724 121.966 120.200 0.070 0.000 2.216 340 E HA 0.049 4.397 4.350 -0.003 0.000 0.192 340 E C 0.779 177.433 176.600 0.090 0.000 0.973 340 E CA 0.270 56.724 56.400 0.089 0.000 0.851 340 E CB 0.535 30.285 29.700 0.083 0.000 0.804 340 E HN 0.533 nan 8.360 nan 0.000 0.477 341 Q N 0.115 119.963 119.800 0.080 0.000 2.274 341 Q HA 0.393 4.731 4.340 -0.003 0.000 0.268 341 Q C -0.453 175.617 176.000 0.116 0.000 1.015 341 Q CA -0.620 55.229 55.803 0.075 0.000 0.775 341 Q CB 1.704 30.485 28.738 0.071 0.000 1.256 341 Q HN 0.144 nan 8.270 nan 0.000 0.442 342 G N 3.318 112.144 108.800 0.044 0.000 2.504 342 G HA2 0.515 4.473 3.960 -0.003 0.000 0.257 342 G HA3 0.515 4.473 3.960 -0.003 0.000 0.257 342 G C -2.472 172.284 174.900 -0.239 0.000 1.451 342 G CA -0.777 44.330 45.100 0.012 0.000 1.059 342 G HN 0.560 nan 8.290 nan 0.000 0.550 343 P HA 0.227 nan 4.420 nan 0.000 0.280 343 P C -0.724 176.393 177.300 -0.306 0.000 1.272 343 P CA -0.544 62.030 63.100 -0.877 0.000 0.819 343 P CB 0.973 31.901 31.700 -1.286 0.000 1.122 344 Q N 0.036 119.766 119.800 -0.116 0.000 2.524 344 Q HA 0.017 4.355 4.340 -0.003 0.000 0.246 344 Q C 1.330 177.276 176.000 -0.090 0.000 1.063 344 Q CA -0.146 55.643 55.803 -0.025 0.000 0.945 344 Q CB -0.127 28.665 28.738 0.090 0.000 1.292 344 Q HN 0.225 nan 8.270 nan 0.000 0.518 345 V N 0.300 120.104 119.914 -0.183 0.000 2.626 345 V HA -0.200 3.918 4.120 -0.003 0.000 0.252 345 V C 0.180 176.097 176.094 -0.295 0.000 1.067 345 V CA 2.585 64.714 62.300 -0.285 0.000 1.081 345 V CB -0.200 31.253 31.823 -0.616 0.000 0.686 345 V HN 0.982 nan 8.190 nan 0.000 0.468 346 D N -3.606 116.540 120.400 -0.424 0.000 2.851 346 D HA 0.095 4.733 4.640 -0.003 0.000 0.339 346 D C 0.654 176.270 176.300 -1.141 0.000 1.347 346 D CA -0.104 53.492 54.000 -0.674 0.000 0.888 346 D CB 0.343 40.849 40.800 -0.490 0.000 1.431 346 D HN -0.098 nan 8.370 nan 0.000 0.509 347 E N -0.824 118.660 120.200 -1.193 0.000 2.107 347 E HA -0.103 4.246 4.350 -0.003 0.000 0.191 347 E C 1.239 177.673 176.600 -0.277 0.000 0.982 347 E CA 1.516 57.455 56.400 -0.768 0.000 0.809 347 E CB -0.032 29.420 29.700 -0.414 0.000 0.756 347 E HN 0.519 nan 8.360 nan 0.000 0.459 348 T N 1.246 115.637 114.554 -0.272 0.000 2.684 348 T HA -0.173 4.175 4.350 -0.003 0.000 0.267 348 T C 1.806 176.431 174.700 -0.126 0.000 1.036 348 T CA 1.086 63.085 62.100 -0.168 0.000 1.148 348 T CB -0.170 68.595 68.868 -0.171 0.000 0.863 348 T HN 0.099 nan 8.240 nan 0.000 0.436 349 Q N -0.032 119.661 119.800 -0.179 0.000 2.124 349 Q HA 0.019 4.357 4.340 -0.003 0.000 0.202 349 Q C 2.034 178.038 176.000 0.006 0.000 0.977 349 Q CA 1.048 56.804 55.803 -0.078 0.000 0.850 349 Q CB -0.660 27.972 28.738 -0.177 0.000 0.901 349 Q HN 0.544 nan 8.270 nan 0.000 0.429 350 F N 2.022 121.849 119.950 -0.206 0.000 2.069 350 F HA -0.219 4.306 4.527 -0.003 0.000 0.298 350 F C 1.919 177.691 175.800 -0.046 0.000 1.113 350 F CA 1.634 59.563 58.000 -0.117 0.000 1.214 350 F CB 0.001 38.879 39.000 -0.204 0.000 0.978 350 F HN 0.013 nan 8.300 nan 0.000 0.474 351 K N -0.028 120.328 120.400 -0.074 0.000 2.103 351 K HA -0.167 4.151 4.320 -0.003 0.000 0.204 351 K C 2.158 178.676 176.600 -0.137 0.000 1.052 351 K CA 1.186 57.385 56.287 -0.147 0.000 0.945 351 K CB -0.357 32.108 32.500 -0.059 0.000 0.722 351 K HN 0.243 nan 8.250 nan 0.000 0.443 352 K N 1.409 121.761 120.400 -0.080 0.000 2.063 352 K HA -0.129 4.189 4.320 -0.003 0.000 0.208 352 K C 2.053 178.660 176.600 0.012 0.000 1.048 352 K CA 1.292 57.544 56.287 -0.059 0.000 0.928 352 K CB -0.076 32.443 32.500 0.031 0.000 0.713 352 K HN 0.091 nan 8.250 nan 0.000 0.442 353 I N 0.840 121.447 120.570 0.061 0.000 2.353 353 I HA -0.244 3.924 4.170 -0.003 0.000 0.248 353 I C 2.072 178.224 176.117 0.059 0.000 1.119 353 I CA 0.680 62.065 61.300 0.143 0.000 1.417 353 I CB -0.078 37.981 38.000 0.097 0.000 1.078 353 I HN 0.151 nan 8.210 nan 0.000 0.421 354 L N 0.414 121.578 121.223 -0.098 0.000 2.083 354 L HA -0.152 4.186 4.340 -0.003 0.000 0.209 354 L C 2.617 179.463 176.870 -0.041 0.000 1.083 354 L CA 1.611 56.388 54.840 -0.106 0.000 0.752 354 L CB -1.095 40.825 42.059 -0.230 0.000 0.899 354 L HN 0.341 nan 8.230 nan 0.000 0.433 355 G N -1.432 107.319 108.800 -0.082 0.000 2.408 355 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.217 355 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.217 355 G C 1.398 176.251 174.900 -0.079 0.000 1.150 355 G CA 0.340 45.371 45.100 -0.114 0.000 0.776 355 G HN 0.301 nan 8.290 nan 0.000 0.542 356 Y N 0.483 120.782 120.300 -0.002 0.000 2.220 356 Y HA 0.025 4.574 4.550 -0.003 0.000 0.291 356 Y C 2.776 178.691 175.900 0.024 0.000 1.129 356 Y CA 0.503 58.605 58.100 0.003 0.000 1.161 356 Y CB 0.026 38.497 38.460 0.018 0.000 0.997 356 Y HN 0.105 nan 8.280 nan 0.000 0.522 357 I N -0.010 120.712 120.570 0.254 0.000 2.226 357 I HA -0.347 3.821 4.170 -0.003 0.000 0.245 357 I C 2.360 178.638 176.117 0.269 0.000 1.100 357 I CA 1.423 62.919 61.300 0.327 0.000 1.374 357 I CB -0.526 37.621 38.000 0.245 0.000 1.057 357 I HN 0.377 nan 8.210 nan 0.000 0.413 358 N N 0.631 119.413 118.700 0.137 0.000 2.166 358 N HA -0.162 4.576 4.740 -0.003 0.000 0.186 358 N C 1.747 177.295 175.510 0.063 0.000 1.019 358 N CA 1.889 54.992 53.050 0.089 0.000 0.856 358 N CB 0.100 38.606 38.487 0.032 0.000 0.993 358 N HN 0.289 nan 8.380 nan 0.000 0.426 359 T N -0.277 114.302 114.554 0.042 0.000 2.684 359 T HA -0.096 4.253 4.350 -0.003 0.000 0.267 359 T C 1.777 176.450 174.700 -0.045 0.000 1.036 359 T CA 1.485 63.591 62.100 0.011 0.000 1.148 359 T CB -0.766 68.132 68.868 0.050 0.000 0.863 359 T HN 0.437 nan 8.240 nan 0.000 0.436 360 G N 1.201 109.910 108.800 -0.153 0.000 2.418 360 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.217 360 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.217 360 G C 1.597 176.399 174.900 -0.162 0.000 1.158 360 G CA 0.743 45.583 45.100 -0.434 0.000 0.771 360 G HN 0.416 nan 8.290 nan 0.000 0.545 361 K N -0.204 120.252 120.400 0.094 0.000 2.044 361 K HA -0.152 4.166 4.320 -0.003 0.000 0.210 361 K C 2.779 179.430 176.600 0.085 0.000 1.049 361 K CA 1.586 57.985 56.287 0.187 0.000 0.927 361 K CB -0.059 32.553 32.500 0.186 0.000 0.713 361 K HN 0.213 nan 8.250 nan 0.000 0.443 362 Q N 0.407 120.233 119.800 0.043 0.000 2.167 362 Q HA -0.146 4.193 4.340 -0.003 0.000 0.202 362 Q C 1.669 177.675 176.000 0.010 0.000 0.970 362 Q CA 1.295 57.112 55.803 0.024 0.000 0.855 362 Q CB -0.037 28.709 28.738 0.012 0.000 0.911 362 Q HN 0.475 nan 8.270 nan 0.000 0.438 363 E N -0.276 119.917 120.200 -0.013 0.000 2.338 363 E HA -0.007 4.342 4.350 -0.003 0.000 0.197 363 E C 0.680 177.276 176.600 -0.007 0.000 1.007 363 E CA 0.508 56.894 56.400 -0.023 0.000 0.849 363 E CB 0.067 29.729 29.700 -0.063 0.000 0.774 363 E HN 0.526 nan 8.360 nan 0.000 0.506 364 G N 0.880 109.689 108.800 0.015 0.000 2.134 364 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.209 364 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.209 364 G C 0.167 175.100 174.900 0.054 0.000 0.993 364 G CA -0.048 45.074 45.100 0.037 0.000 0.669 364 G HN 0.439 nan 8.290 nan 0.000 0.519 365 A N -0.019 122.832 122.820 0.052 0.000 2.354 365 A HA 0.683 5.002 4.320 -0.003 0.000 0.269 365 A C 0.594 178.350 177.584 0.287 0.000 1.109 365 A CA 0.388 52.495 52.037 0.116 0.000 0.800 365 A CB 0.504 19.475 19.000 -0.048 0.000 1.045 365 A HN 0.716 nan 8.150 nan 0.000 0.489 366 K N 2.679 123.235 120.400 0.259 0.000 2.278 366 K HA 0.269 4.587 4.320 -0.003 0.000 0.289 366 K C -0.532 176.177 176.600 0.183 0.000 1.080 366 K CA -0.362 56.044 56.287 0.198 0.000 0.934 366 K CB -0.060 32.523 32.500 0.138 0.000 1.093 366 K HN 0.583 nan 8.250 nan 0.000 0.459 367 L N 6.060 127.338 121.223 0.092 0.000 2.433 367 L HA 0.089 4.427 4.340 -0.003 0.000 0.275 367 L C 0.034 176.826 176.870 -0.130 0.000 1.128 367 L CA 0.591 55.301 54.840 -0.216 0.000 0.875 367 L CB 0.434 42.345 42.059 -0.246 0.000 1.171 367 L HN 0.837 nan 8.230 nan 0.000 0.463 368 L N 4.890 126.022 121.223 -0.152 0.000 2.515 368 L HA 0.228 4.566 4.340 -0.003 0.000 0.223 368 L C 0.299 177.115 176.870 -0.089 0.000 1.079 368 L CA 0.170 54.963 54.840 -0.079 0.000 0.857 368 L CB 0.108 42.139 42.059 -0.046 0.000 1.050 368 L HN 0.856 nan 8.230 nan 0.000 0.476 369 C N -3.481 115.742 119.300 -0.129 0.000 3.292 369 C HA 0.734 5.193 4.460 -0.003 0.000 0.338 369 C C 0.784 175.706 174.990 -0.113 0.000 1.323 369 C CA -0.599 58.361 59.018 -0.096 0.000 1.232 369 C CB 0.787 28.488 27.740 -0.066 0.000 1.517 369 C HN 0.585 nan 8.230 nan 0.000 0.470 370 G N 0.778 109.535 108.800 -0.072 0.000 2.582 370 G HA2 0.333 4.291 3.960 -0.003 0.000 0.288 370 G HA3 0.333 4.291 3.960 -0.003 0.000 0.288 370 G C 1.301 176.160 174.900 -0.069 0.000 1.247 370 G CA 2.339 47.409 45.100 -0.050 0.000 0.972 370 G HN 3.354 nan 8.290 nan 0.000 0.557 371 G N -2.274 106.497 108.800 -0.049 0.000 2.184 371 G HA2 0.435 4.394 3.960 -0.003 0.000 0.206 371 G HA3 0.435 4.394 3.960 -0.003 0.000 0.206 371 G C 1.335 176.238 174.900 0.005 0.000 0.995 371 G CA 0.933 46.006 45.100 -0.044 0.000 0.651 371 G HN 2.494 nan 8.290 nan 0.000 0.511 372 G N -0.927 107.882 108.800 0.015 0.000 3.135 372 G HA2 0.704 4.662 3.960 -0.003 0.000 0.278 372 G HA3 0.704 4.662 3.960 -0.003 0.000 0.278 372 G C -0.252 174.679 174.900 0.052 0.000 1.302 372 G CA -0.783 44.332 45.100 0.025 0.000 0.880 372 G HN 0.611 nan 8.290 nan 0.000 0.574 373 I N 1.059 121.677 120.570 0.079 0.000 2.575 373 I HA 0.356 4.524 4.170 -0.003 0.000 0.285 373 I C 1.211 177.422 176.117 0.157 0.000 1.085 373 I CA -0.238 61.166 61.300 0.173 0.000 1.403 373 I CB 1.763 39.906 38.000 0.239 0.000 1.409 373 I HN 0.533 nan 8.210 nan 0.000 0.557 374 A N 4.648 127.592 122.820 0.207 0.000 2.343 374 A HA 0.706 5.024 4.320 -0.003 0.000 0.223 374 A C 0.672 178.299 177.584 0.071 0.000 1.214 374 A CA 0.339 52.455 52.037 0.132 0.000 0.900 374 A CB 0.255 19.349 19.000 0.156 0.000 0.942 374 A HN 0.805 nan 8.150 nan 0.000 0.507 375 A N -0.053 122.830 122.820 0.105 0.000 2.589 375 A HA 0.519 4.838 4.320 -0.003 0.000 0.296 375 A C -0.099 177.502 177.584 0.028 0.000 1.062 375 A CA 0.110 52.133 52.037 -0.022 0.000 0.686 375 A CB 0.618 19.461 19.000 -0.262 0.000 1.282 375 A HN 0.120 nan 8.150 nan 0.000 0.404 376 D N 0.278 120.665 120.400 -0.022 0.000 2.312 376 D HA -0.020 4.618 4.640 -0.003 0.000 0.211 376 D C 0.603 176.881 176.300 -0.037 0.000 0.964 376 D CA 0.745 54.741 54.000 -0.007 0.000 0.877 376 D CB 0.280 41.069 40.800 -0.019 0.000 0.924 376 D HN 0.380 nan 8.370 nan 0.000 0.515 377 R N -0.167 120.294 120.500 -0.066 0.000 2.534 377 R HA 0.514 4.852 4.340 -0.003 0.000 0.301 377 R C 0.190 176.462 176.300 -0.046 0.000 0.961 377 R CA 0.431 56.476 56.100 -0.091 0.000 0.871 377 R CB 1.844 32.090 30.300 -0.089 0.000 1.170 377 R HN 0.164 nan 8.270 nan 0.000 0.446 378 G N 1.840 110.486 108.800 -0.256 0.000 2.782 378 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.228 378 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.228 378 G C -0.834 173.670 174.900 -0.659 0.000 1.372 378 G CA -0.403 44.401 45.100 -0.492 0.000 0.862 378 G HN 0.646 nan 8.290 nan 0.000 0.547 379 Y N -0.233 119.800 120.300 -0.445 0.000 2.883 379 Y HA 0.523 5.071 4.550 -0.003 0.000 0.385 379 Y C 0.676 176.466 175.900 -0.185 0.000 1.067 379 Y CA -0.797 56.872 58.100 -0.717 0.000 1.682 379 Y CB -0.040 38.080 38.460 -0.567 0.000 1.606 379 Y HN 0.321 nan 8.280 nan 0.000 0.508 380 F N 1.513 121.514 119.950 0.085 0.000 2.427 380 F HA 0.449 4.974 4.527 -0.003 0.000 0.352 380 F C 0.177 176.152 175.800 0.291 0.000 1.100 380 F CA -0.800 57.297 58.000 0.161 0.000 1.191 380 F CB 0.562 39.594 39.000 0.053 0.000 1.128 380 F HN 0.032 nan 8.300 nan 0.000 0.533 381 I N 2.287 123.076 120.570 0.364 0.000 2.608 381 I HA 0.223 4.391 4.170 -0.003 0.000 0.295 381 I C -0.550 175.675 176.117 0.181 0.000 1.049 381 I CA -0.951 60.503 61.300 0.258 0.000 1.063 381 I CB 2.003 40.119 38.000 0.194 0.000 1.248 381 I HN 0.493 nan 8.210 nan 0.000 0.424 382 Q N 6.109 125.986 119.800 0.129 0.000 2.311 382 Q HA 0.155 4.493 4.340 -0.003 0.000 0.272 382 Q C -2.262 173.789 176.000 0.085 0.000 1.012 382 Q CA -1.585 54.267 55.803 0.081 0.000 0.891 382 Q CB 0.088 28.853 28.738 0.045 0.000 1.201 382 Q HN 0.210 nan 8.270 nan 0.000 0.391 383 P HA -0.068 nan 4.420 nan 0.000 0.258 383 P C -1.045 176.320 177.300 0.108 0.000 1.187 383 P CA 0.630 63.759 63.100 0.047 0.000 0.767 383 P CB 0.470 31.980 31.700 -0.316 0.000 0.770 384 T N 3.047 117.747 114.554 0.242 0.000 2.829 384 T HA 0.472 4.821 4.350 -0.003 0.000 0.280 384 T C -0.432 174.309 174.700 0.069 0.000 0.999 384 T CA -0.447 61.690 62.100 0.060 0.000 0.983 384 T CB 1.136 70.001 68.868 -0.006 0.000 0.968 384 T HN -0.063 nan 8.240 nan 0.000 0.446 385 V N 3.839 123.701 119.914 -0.087 0.000 2.483 385 V HA 0.501 4.620 4.120 -0.003 0.000 0.297 385 V C -1.017 174.965 176.094 -0.186 0.000 1.027 385 V CA -0.883 61.395 62.300 -0.035 0.000 0.855 385 V CB 1.097 32.944 31.823 0.040 0.000 0.995 385 V HN 0.825 nan 8.190 nan 0.000 0.424 386 F N 2.544 122.518 119.950 0.041 0.000 2.421 386 F HA 0.779 5.305 4.527 -0.003 0.000 0.337 386 F C 0.963 176.792 175.800 0.048 0.000 1.105 386 F CA -0.107 57.915 58.000 0.036 0.000 1.049 386 F CB 2.000 41.013 39.000 0.021 0.000 1.139 386 F HN 0.587 nan 8.300 nan 0.000 0.479 387 G N 0.522 109.475 108.800 0.254 0.000 2.644 387 G HA2 0.378 4.337 3.960 -0.003 0.000 0.307 387 G HA3 0.378 4.337 3.960 -0.003 0.000 0.307 387 G C -0.698 174.336 174.900 0.223 0.000 1.250 387 G CA -0.756 44.479 45.100 0.225 0.000 0.996 387 G HN 0.651 nan 8.290 nan 0.000 0.489 388 D N -1.157 119.397 120.400 0.256 0.000 2.737 388 D HA -0.164 4.474 4.640 -0.003 0.000 0.233 388 D C 0.772 177.116 176.300 0.074 0.000 1.155 388 D CA 0.700 54.782 54.000 0.135 0.000 0.667 388 D CB -1.333 39.538 40.800 0.117 0.000 1.060 388 D HN 0.223 nan 8.370 nan 0.000 0.427 389 V N 0.691 120.645 119.914 0.066 0.000 2.740 389 V HA -0.031 4.087 4.120 -0.003 0.000 0.303 389 V C 0.959 177.040 176.094 -0.022 0.000 1.054 389 V CA 0.269 62.573 62.300 0.006 0.000 1.106 389 V CB 1.450 33.259 31.823 -0.023 0.000 0.957 389 V HN 0.059 nan 8.190 nan 0.000 0.486 390 Q N 2.244 122.031 119.800 -0.022 0.000 2.226 390 Q HA 0.312 4.651 4.340 -0.003 0.000 0.256 390 Q C 0.469 176.465 176.000 -0.007 0.000 0.962 390 Q CA -0.721 55.077 55.803 -0.008 0.000 0.887 390 Q CB 1.326 30.065 28.738 0.001 0.000 1.282 390 Q HN 0.654 nan 8.270 nan 0.000 0.449 391 D N 1.121 121.535 120.400 0.023 0.000 2.144 391 D HA -0.101 4.537 4.640 -0.003 0.000 0.199 391 D C 1.526 177.842 176.300 0.026 0.000 0.984 391 D CA 1.557 55.584 54.000 0.045 0.000 0.834 391 D CB -0.076 40.775 40.800 0.084 0.000 0.955 391 D HN 0.816 nan 8.370 nan 0.000 0.465 392 G N -0.437 108.373 108.800 0.017 0.000 2.679 392 G HA2 -0.048 3.911 3.960 -0.003 0.000 0.212 392 G HA3 -0.048 3.911 3.960 -0.003 0.000 0.212 392 G C 0.658 175.558 174.900 -0.001 0.000 1.137 392 G CA -0.113 44.993 45.100 0.009 0.000 0.787 392 G HN 0.174 nan 8.290 nan 0.000 0.534 393 M N 0.294 119.886 119.600 -0.014 0.000 2.243 393 M HA 0.169 4.647 4.480 -0.003 0.000 0.341 393 M C 1.844 178.128 176.300 -0.027 0.000 1.130 393 M CA -0.125 55.156 55.300 -0.033 0.000 1.162 393 M CB 1.180 33.740 32.600 -0.067 0.000 1.497 393 M HN -0.080 nan 8.290 nan 0.000 0.456 394 T N 2.496 117.040 114.554 -0.018 0.000 2.746 394 T HA -0.102 4.247 4.350 -0.003 0.000 0.267 394 T C 1.543 176.235 174.700 -0.013 0.000 1.039 394 T CA 1.674 63.785 62.100 0.018 0.000 1.142 394 T CB -0.437 68.470 68.868 0.066 0.000 0.866 394 T HN 0.743 nan 8.240 nan 0.000 0.444 395 I N -0.134 120.389 120.570 -0.079 0.000 2.700 395 I HA 0.064 4.232 4.170 -0.003 0.000 0.261 395 I C 2.262 178.306 176.117 -0.122 0.000 1.219 395 I CA 1.164 62.370 61.300 -0.157 0.000 1.463 395 I CB -0.397 37.435 38.000 -0.281 0.000 1.092 395 I HN 0.078 nan 8.210 nan 0.000 0.452 396 A N 0.915 123.688 122.820 -0.078 0.000 2.267 396 A HA 0.187 4.505 4.320 -0.003 0.000 0.213 396 A C 2.107 179.697 177.584 0.011 0.000 1.192 396 A CA 0.154 52.164 52.037 -0.045 0.000 0.851 396 A CB -0.100 18.872 19.000 -0.047 0.000 0.881 396 A HN 0.479 nan 8.150 nan 0.000 0.494 397 K N -0.300 120.109 120.400 0.016 0.000 2.403 397 K HA 0.171 4.489 4.320 -0.003 0.000 0.199 397 K C -0.168 176.491 176.600 0.099 0.000 1.199 397 K CA 0.200 56.520 56.287 0.054 0.000 0.924 397 K CB 0.585 33.104 32.500 0.033 0.000 1.137 397 K HN 0.384 nan 8.250 nan 0.000 0.510 398 E N 2.177 122.413 120.200 0.060 0.000 2.204 398 E HA 0.089 4.437 4.350 -0.003 0.000 0.276 398 E C -0.962 175.609 176.600 -0.048 0.000 0.974 398 E CA -0.370 56.081 56.400 0.084 0.000 0.815 398 E CB 1.812 31.586 29.700 0.124 0.000 1.119 398 E HN 0.099 nan 8.360 nan 0.000 0.393 399 E N 3.452 123.675 120.200 0.038 0.000 2.217 399 E HA 0.027 4.375 4.350 -0.003 0.000 0.279 399 E C 0.200 176.702 176.600 -0.163 0.000 1.068 399 E CA -0.051 56.322 56.400 -0.046 0.000 0.882 399 E CB 0.474 30.167 29.700 -0.012 0.000 1.039 399 E HN 0.549 nan 8.360 nan 0.000 0.418 400 I N 4.392 124.793 120.570 -0.282 0.000 2.584 400 I HA -0.046 4.123 4.170 -0.003 0.000 0.255 400 I C 0.510 176.710 176.117 0.139 0.000 1.145 400 I CA 0.095 61.186 61.300 -0.348 0.000 1.462 400 I CB 0.038 37.815 38.000 -0.372 0.000 1.102 400 I HN 0.730 nan 8.210 nan 0.000 0.433 401 F N 1.258 121.166 119.950 -0.071 0.000 3.057 401 F HA -0.207 4.318 4.527 -0.003 0.000 0.287 401 F C 0.612 176.432 175.800 0.035 0.000 0.834 401 F CA 0.568 58.570 58.000 0.003 0.000 1.147 401 F CB -1.400 37.653 39.000 0.087 0.000 1.245 401 F HN 0.129 nan 8.300 nan 0.000 0.509 402 G N -0.683 108.143 108.800 0.043 0.000 3.042 402 G HA2 0.678 4.636 3.960 -0.003 0.000 0.278 402 G HA3 0.678 4.636 3.960 -0.003 0.000 0.278 402 G C -2.786 172.085 174.900 -0.048 0.000 1.371 402 G CA -0.832 44.290 45.100 0.037 0.000 1.009 402 G HN -0.125 nan 8.290 nan 0.000 0.523 403 P HA 0.250 nan 4.420 nan 0.000 0.218 403 P C -0.627 176.714 177.300 0.067 0.000 1.793 403 P CA -0.105 63.054 63.100 0.099 0.000 0.941 403 P CB 0.201 32.128 31.700 0.379 0.000 1.919 404 V N 2.609 122.447 119.914 -0.128 0.000 2.407 404 V HA 0.390 4.508 4.120 -0.003 0.000 0.291 404 V C 0.235 176.247 176.094 -0.138 0.000 1.018 404 V CA -0.655 61.634 62.300 -0.018 0.000 0.842 404 V CB 2.017 33.905 31.823 0.109 0.000 0.996 404 V HN 0.266 nan 8.190 nan 0.000 0.426 405 M N 4.290 123.835 119.600 -0.091 0.000 2.238 405 M HA 0.592 5.070 4.480 -0.003 0.000 0.350 405 M C -0.890 175.454 176.300 0.075 0.000 1.138 405 M CA -0.394 54.839 55.300 -0.111 0.000 1.040 405 M CB 1.507 34.034 32.600 -0.121 0.000 1.639 405 M HN 0.627 nan 8.290 nan 0.000 0.451 406 Q N 5.283 125.098 119.800 0.025 0.000 2.348 406 Q HA 0.577 4.915 4.340 -0.003 0.000 0.265 406 Q C -1.306 174.702 176.000 0.013 0.000 0.998 406 Q CA 0.062 55.894 55.803 0.048 0.000 0.831 406 Q CB 1.661 30.380 28.738 -0.032 0.000 1.251 406 Q HN 0.699 nan 8.270 nan 0.000 0.456 407 I N 4.120 124.737 120.570 0.078 0.000 2.382 407 I HA 0.369 4.537 4.170 -0.003 0.000 0.286 407 I C -0.938 175.249 176.117 0.117 0.000 1.002 407 I CA -0.957 60.404 61.300 0.101 0.000 1.135 407 I CB 0.839 38.951 38.000 0.185 0.000 1.288 407 I HN 0.320 nan 8.210 nan 0.000 0.448 408 L N 6.308 127.509 121.223 -0.037 0.000 2.334 408 L HA 0.525 4.864 4.340 -0.003 0.000 0.272 408 L C 0.023 176.925 176.870 0.054 0.000 1.020 408 L CA -0.469 54.312 54.840 -0.099 0.000 0.812 408 L CB 1.032 42.809 42.059 -0.470 0.000 1.264 408 L HN 0.453 nan 8.230 nan 0.000 0.439 409 K N 1.660 122.031 120.400 -0.049 0.000 2.159 409 K HA 0.689 5.008 4.320 -0.003 0.000 0.266 409 K C -1.282 175.397 176.600 0.132 0.000 0.975 409 K CA -0.472 55.720 56.287 -0.158 0.000 0.865 409 K CB 1.169 33.325 32.500 -0.573 0.000 1.087 409 K HN 0.536 nan 8.250 nan 0.000 0.446 410 F N 0.706 120.673 119.950 0.028 0.000 2.692 410 F HA 0.485 5.010 4.527 -0.003 0.000 0.320 410 F C 0.245 176.064 175.800 0.032 0.000 1.123 410 F CA -0.946 57.094 58.000 0.067 0.000 0.961 410 F CB 1.438 40.525 39.000 0.145 0.000 1.383 410 F HN 0.446 nan 8.300 nan 0.000 0.483 411 K N -0.305 120.219 120.400 0.207 0.000 2.354 411 K HA 0.260 4.578 4.320 -0.003 0.000 0.210 411 K C 0.123 176.836 176.600 0.189 0.000 1.184 411 K CA 0.949 57.273 56.287 0.061 0.000 0.880 411 K CB 0.427 32.965 32.500 0.062 0.000 1.328 411 K HN 0.917 nan 8.250 nan 0.000 0.466 412 T N -2.285 112.459 114.554 0.317 0.000 2.942 412 T HA 0.294 4.642 4.350 -0.003 0.000 0.289 412 T C 1.023 175.893 174.700 0.284 0.000 1.044 412 T CA -0.867 61.385 62.100 0.253 0.000 1.023 412 T CB 1.448 70.392 68.868 0.127 0.000 1.123 412 T HN 0.164 nan 8.240 nan 0.000 0.512 413 I N 0.336 121.026 120.570 0.200 0.000 2.394 413 I HA -0.049 4.119 4.170 -0.003 0.000 0.251 413 I C 2.086 178.277 176.117 0.123 0.000 1.136 413 I CA 1.355 62.742 61.300 0.146 0.000 1.425 413 I CB 0.013 38.100 38.000 0.145 0.000 1.079 413 I HN 0.780 nan 8.210 nan 0.000 0.425 414 E N 0.450 120.724 120.200 0.122 0.000 2.152 414 E HA -0.241 4.107 4.350 -0.003 0.000 0.192 414 E C 1.940 178.559 176.600 0.031 0.000 0.983 414 E CA 1.011 57.482 56.400 0.120 0.000 0.818 414 E CB -0.108 29.654 29.700 0.102 0.000 0.758 414 E HN 0.527 nan 8.360 nan 0.000 0.467 415 E N 0.576 120.791 120.200 0.026 0.000 2.028 415 E HA -0.140 4.208 4.350 -0.003 0.000 0.190 415 E C 2.106 178.643 176.600 -0.106 0.000 0.984 415 E CA 1.046 57.447 56.400 0.002 0.000 0.800 415 E CB -0.060 29.685 29.700 0.074 0.000 0.758 415 E HN 0.184 nan 8.360 nan 0.000 0.448 416 V N 0.842 120.607 119.914 -0.249 0.000 2.594 416 V HA -0.173 3.945 4.120 -0.003 0.000 0.253 416 V C 2.304 178.087 176.094 -0.519 0.000 1.069 416 V CA 1.296 63.244 62.300 -0.587 0.000 1.082 416 V CB -0.002 31.071 31.823 -1.250 0.000 0.680 416 V HN 0.220 nan 8.190 nan 0.000 0.469 417 V N 0.771 120.497 119.914 -0.314 0.000 2.295 417 V HA -0.151 3.967 4.120 -0.003 0.000 0.246 417 V C 2.686 178.654 176.094 -0.210 0.000 1.049 417 V CA 2.233 64.380 62.300 -0.254 0.000 1.024 417 V CB -1.418 30.299 31.823 -0.178 0.000 0.648 417 V HN 0.628 nan 8.190 nan 0.000 0.447 418 G N -0.401 108.310 108.800 -0.149 0.000 2.402 418 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.216 418 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.216 418 G C 1.751 176.589 174.900 -0.103 0.000 1.162 418 G CA 0.583 45.623 45.100 -0.100 0.000 0.777 418 G HN 0.435 nan 8.290 nan 0.000 0.539 419 R N 0.490 120.910 120.500 -0.134 0.000 2.092 419 R HA 0.098 4.436 4.340 -0.003 0.000 0.231 419 R C 2.983 179.211 176.300 -0.121 0.000 1.119 419 R CA 1.076 57.131 56.100 -0.075 0.000 0.970 419 R CB -0.303 29.994 30.300 -0.004 0.000 0.864 419 R HN 0.344 nan 8.270 nan 0.000 0.440 420 A N 1.495 124.089 122.820 -0.377 0.000 1.898 420 A HA -0.142 4.176 4.320 -0.003 0.000 0.216 420 A C 1.629 179.145 177.584 -0.113 0.000 1.181 420 A CA 1.425 53.257 52.037 -0.342 0.000 0.620 420 A CB -0.332 18.355 19.000 -0.521 0.000 0.819 420 A HN 0.218 nan 8.150 nan 0.000 0.442 421 N N 0.479 119.105 118.700 -0.122 0.000 2.459 421 N HA -0.065 4.674 4.740 -0.003 0.000 0.181 421 N C 0.393 175.887 175.510 -0.027 0.000 1.046 421 N CA 0.380 53.389 53.050 -0.069 0.000 0.904 421 N CB -0.503 37.934 38.487 -0.083 0.000 0.964 421 N HN 0.361 nan 8.380 nan 0.000 0.444 422 N N 1.091 119.779 118.700 -0.020 0.000 2.892 422 N HA 0.009 4.747 4.740 -0.003 0.000 0.300 422 N C -1.178 174.342 175.510 0.016 0.000 1.211 422 N CA 0.170 53.219 53.050 -0.001 0.000 1.158 422 N CB -0.367 38.125 38.487 0.007 0.000 1.455 422 N HN -0.017 nan 8.380 nan 0.000 0.524 423 S N -0.026 115.677 115.700 0.005 0.000 2.547 423 S HA 0.290 4.758 4.470 -0.003 0.000 0.270 423 S C 0.737 175.300 174.600 -0.060 0.000 1.150 423 S CA -0.596 57.602 58.200 -0.004 0.000 0.850 423 S CB 0.702 63.946 63.200 0.073 0.000 1.118 423 S HN 0.244 nan 8.310 nan 0.000 0.461 424 T N 2.503 116.943 114.554 -0.189 0.000 3.085 424 T HA 0.166 4.514 4.350 -0.003 0.000 0.263 424 T C -0.131 174.406 174.700 -0.272 0.000 1.127 424 T CA 1.114 63.049 62.100 -0.274 0.000 1.103 424 T CB -0.414 68.203 68.868 -0.418 0.000 0.921 424 T HN 0.547 nan 8.240 nan 0.000 0.510 425 Y N -0.415 119.909 120.300 0.040 0.000 2.488 425 Y HA 0.590 5.138 4.550 -0.003 0.000 0.325 425 Y C 1.191 177.118 175.900 0.044 0.000 1.204 425 Y CA -1.142 56.985 58.100 0.046 0.000 1.229 425 Y CB 1.698 40.192 38.460 0.056 0.000 1.274 425 Y HN -0.053 nan 8.280 nan 0.000 0.493 426 G N 0.876 109.818 108.800 0.235 0.000 5.602 426 G HA2 0.089 4.047 3.960 -0.003 0.000 0.197 426 G HA3 0.089 4.047 3.960 -0.003 0.000 0.197 426 G C -0.130 174.804 174.900 0.056 0.000 0.705 426 G CA -0.207 44.962 45.100 0.116 0.000 0.662 426 G HN 0.552 nan 8.290 nan 0.000 0.365 427 L N 0.614 121.882 121.223 0.075 0.000 2.068 427 L HA 0.741 5.079 4.340 -0.003 0.000 0.204 427 L C 1.202 178.078 176.870 0.010 0.000 1.076 427 L CA 2.154 57.025 54.840 0.051 0.000 0.753 427 L CB 0.039 42.145 42.059 0.079 0.000 0.910 427 L HN 0.381 nan 8.230 nan 0.000 0.439 428 A N -2.072 120.749 122.820 0.002 0.000 2.583 428 A HA 0.909 5.228 4.320 -0.003 0.000 0.289 428 A C -1.428 176.117 177.584 -0.065 0.000 1.151 428 A CA -0.076 51.891 52.037 -0.117 0.000 0.695 428 A CB 1.066 20.037 19.000 -0.047 0.000 1.290 428 A HN 0.421 nan 8.150 nan 0.000 0.419 429 A N -1.266 121.481 122.820 -0.121 0.000 2.586 429 A HA 0.978 5.296 4.320 -0.003 0.000 0.291 429 A C -0.751 176.889 177.584 0.094 0.000 1.062 429 A CA 0.108 52.161 52.037 0.027 0.000 0.666 429 A CB 0.598 19.561 19.000 -0.061 0.000 1.281 429 A HN 2.682 nan 8.150 nan 0.000 0.421 430 A N -0.175 122.805 122.820 0.267 0.000 2.574 430 A HA 0.775 5.093 4.320 -0.003 0.000 0.297 430 A C -1.507 176.266 177.584 0.315 0.000 1.062 430 A CA -0.430 51.814 52.037 0.346 0.000 0.686 430 A CB 1.480 20.894 19.000 0.691 0.000 1.285 430 A HN 1.819 nan 8.150 nan 0.000 0.403 431 V N 1.065 121.105 119.914 0.210 0.000 2.638 431 V HA 0.613 4.731 4.120 -0.003 0.000 0.306 431 V C -1.485 174.691 176.094 0.137 0.000 1.052 431 V CA -0.336 62.090 62.300 0.209 0.000 0.885 431 V CB 1.534 33.416 31.823 0.100 0.000 0.999 431 V HN 0.712 nan 8.190 nan 0.000 0.424 432 F N 2.487 122.538 119.950 0.167 0.000 2.427 432 F HA 0.780 5.305 4.527 -0.003 0.000 0.348 432 F C 0.323 176.219 175.800 0.159 0.000 1.125 432 F CA -0.238 57.873 58.000 0.184 0.000 0.989 432 F CB 2.074 41.189 39.000 0.191 0.000 1.165 432 F HN 0.538 nan 8.300 nan 0.000 0.442 433 T N 1.952 116.650 114.554 0.240 0.000 2.893 433 T HA 0.267 4.615 4.350 -0.003 0.000 0.337 433 T C 0.049 174.823 174.700 0.123 0.000 1.587 433 T CA -0.708 61.499 62.100 0.179 0.000 1.066 433 T CB 1.353 70.311 68.868 0.149 0.000 1.414 433 T HN 0.628 nan 8.240 nan 0.000 0.488 434 K N 0.834 121.296 120.400 0.103 0.000 2.361 434 K HA 0.208 4.526 4.320 -0.003 0.000 0.194 434 K C -0.036 176.593 176.600 0.049 0.000 1.032 434 K CA -0.046 56.282 56.287 0.068 0.000 1.048 434 K CB 0.229 32.767 32.500 0.062 0.000 0.842 434 K HN 0.491 nan 8.250 nan 0.000 0.526 435 D N 0.515 120.949 120.400 0.056 0.000 2.308 435 D HA 0.023 4.661 4.640 -0.003 0.000 0.251 435 D C 0.742 177.065 176.300 0.039 0.000 1.127 435 D CA -0.253 53.772 54.000 0.042 0.000 0.876 435 D CB 1.054 41.879 40.800 0.042 0.000 1.176 435 D HN -0.168 nan 8.370 nan 0.000 0.446 436 L N 3.698 124.938 121.223 0.028 0.000 2.056 436 L HA -0.076 4.262 4.340 -0.003 0.000 0.207 436 L C 1.251 178.142 176.870 0.036 0.000 1.078 436 L CA 1.854 56.710 54.840 0.026 0.000 0.749 436 L CB -0.322 41.747 42.059 0.018 0.000 0.901 436 L HN 0.502 nan 8.230 nan 0.000 0.433 437 D N -0.625 119.794 120.400 0.032 0.000 2.224 437 D HA -0.131 4.507 4.640 -0.003 0.000 0.205 437 D C 2.157 178.500 176.300 0.071 0.000 0.965 437 D CA 0.976 54.999 54.000 0.038 0.000 0.852 437 D CB 0.074 40.876 40.800 0.002 0.000 0.947 437 D HN 0.358 nan 8.370 nan 0.000 0.494 438 K N 0.513 120.952 120.400 0.065 0.000 2.062 438 K HA 0.061 4.379 4.320 -0.003 0.000 0.205 438 K C 2.108 178.802 176.600 0.157 0.000 1.051 438 K CA 0.983 57.338 56.287 0.114 0.000 0.941 438 K CB -0.018 32.537 32.500 0.091 0.000 0.719 438 K HN -0.007 nan 8.250 nan 0.000 0.440 439 A N 1.942 124.820 122.820 0.096 0.000 1.877 439 A HA -0.209 4.109 4.320 -0.003 0.000 0.216 439 A C 1.818 179.433 177.584 0.053 0.000 1.186 439 A CA 1.856 53.932 52.037 0.064 0.000 0.620 439 A CB -0.578 18.444 19.000 0.036 0.000 0.822 439 A HN 0.211 nan 8.150 nan 0.000 0.443 440 N N -1.533 117.205 118.700 0.063 0.000 2.188 440 N HA -0.142 4.596 4.740 -0.003 0.000 0.184 440 N C 1.558 177.110 175.510 0.070 0.000 1.018 440 N CA 1.615 54.694 53.050 0.048 0.000 0.858 440 N CB -0.647 37.869 38.487 0.048 0.000 0.989 440 N HN 0.685 nan 8.380 nan 0.000 0.426 441 Y N 1.369 121.659 120.300 -0.017 0.000 2.145 441 Y HA -0.081 4.467 4.550 -0.003 0.000 0.286 441 Y C 2.067 177.946 175.900 -0.035 0.000 1.145 441 Y CA 1.462 59.549 58.100 -0.021 0.000 1.148 441 Y CB -0.442 38.010 38.460 -0.013 0.000 0.981 441 Y HN -0.030 nan 8.280 nan 0.000 0.507 442 L N -0.161 121.034 121.223 -0.048 0.000 2.072 442 L HA -0.167 4.171 4.340 -0.003 0.000 0.205 442 L C 2.796 179.569 176.870 -0.161 0.000 1.079 442 L CA 1.398 56.140 54.840 -0.164 0.000 0.752 442 L CB -0.819 41.231 42.059 -0.016 0.000 0.906 442 L HN 0.395 nan 8.230 nan 0.000 0.436 443 S N -0.841 114.801 115.700 -0.097 0.000 2.419 443 S HA -0.301 4.167 4.470 -0.003 0.000 0.235 443 S C 1.878 176.396 174.600 -0.137 0.000 1.019 443 S CA 1.533 59.665 58.200 -0.114 0.000 0.982 443 S CB -0.323 62.828 63.200 -0.082 0.000 0.789 443 S HN 0.532 nan 8.310 nan 0.000 0.490 444 Q N 0.794 120.512 119.800 -0.137 0.000 2.123 444 Q HA 0.202 4.540 4.340 -0.003 0.000 0.196 444 Q C 2.229 178.125 176.000 -0.174 0.000 0.958 444 Q CA 0.882 56.607 55.803 -0.131 0.000 0.841 444 Q CB -0.407 28.273 28.738 -0.098 0.000 0.915 444 Q HN 0.688 nan 8.270 nan 0.000 0.455 445 A N 0.655 123.313 122.820 -0.271 0.000 2.016 445 A HA 0.109 4.428 4.320 -0.003 0.000 0.217 445 A C 0.923 178.370 177.584 -0.228 0.000 1.162 445 A CA 0.082 51.944 52.037 -0.291 0.000 0.662 445 A CB -0.256 18.445 19.000 -0.499 0.000 0.812 445 A HN 0.356 nan 8.150 nan 0.000 0.450 446 L N 1.052 122.138 121.223 -0.228 0.000 2.410 446 L HA 0.053 4.391 4.340 -0.003 0.000 0.273 446 L C 0.110 176.840 176.870 -0.235 0.000 1.144 446 L CA -0.127 54.585 54.840 -0.214 0.000 0.863 446 L CB 0.622 42.557 42.059 -0.205 0.000 1.140 446 L HN 0.400 nan 8.230 nan 0.000 0.463 447 Q N 3.860 123.540 119.800 -0.200 0.000 3.027 447 Q HA 0.454 4.793 4.340 -0.003 0.000 0.260 447 Q C -0.352 175.388 176.000 -0.433 0.000 1.379 447 Q CA -0.277 55.408 55.803 -0.197 0.000 1.038 447 Q CB 0.637 29.372 28.738 -0.005 0.000 1.578 447 Q HN 0.674 nan 8.270 nan 0.000 0.571 448 A N -0.376 121.936 122.820 -0.846 0.000 2.475 448 A HA 0.669 4.987 4.320 -0.003 0.000 0.301 448 A C 0.922 177.802 177.584 -1.173 0.000 1.059 448 A CA -0.461 51.094 52.037 -0.804 0.000 0.710 448 A CB 1.254 20.014 19.000 -0.399 0.000 1.288 448 A HN 0.530 nan 8.150 nan 0.000 0.408 449 G N 0.082 108.498 108.800 -0.640 0.000 2.432 449 G HA2 0.265 4.223 3.960 -0.003 0.000 0.219 449 G HA3 0.265 4.223 3.960 -0.003 0.000 0.219 449 G C 0.491 175.238 174.900 -0.257 0.000 1.135 449 G CA 1.684 46.660 45.100 -0.207 0.000 0.767 449 G HN 0.856 nan 8.290 nan 0.000 0.550 450 T N -0.359 113.977 114.554 -0.364 0.000 2.991 450 T HA 0.470 4.818 4.350 -0.003 0.000 0.303 450 T C -1.086 173.214 174.700 -0.666 0.000 1.015 450 T CA -0.446 61.334 62.100 -0.534 0.000 1.007 450 T CB 2.625 71.095 68.868 -0.664 0.000 1.034 450 T HN -0.083 nan 8.240 nan 0.000 0.446 451 V N 3.929 123.485 119.914 -0.597 0.000 2.417 451 V HA 0.493 4.611 4.120 -0.003 0.000 0.291 451 V C -0.611 175.191 176.094 -0.487 0.000 1.024 451 V CA -0.928 61.098 62.300 -0.457 0.000 0.861 451 V CB 1.338 32.997 31.823 -0.274 0.000 0.985 451 V HN 0.748 nan 8.190 nan 0.000 0.436 452 W N 3.409 124.583 121.300 -0.209 0.000 2.496 452 W HA 0.626 5.284 4.660 -0.002 0.000 0.327 452 W C -0.647 175.767 176.519 -0.174 0.000 1.086 452 W CA -0.705 56.513 57.345 -0.212 0.000 1.222 452 W CB 1.952 31.250 29.460 -0.271 0.000 1.304 452 W HN 0.267 nan 8.180 nan 0.000 0.547 453 V N 4.577 124.521 119.914 0.050 0.000 2.334 453 V HA 0.128 4.246 4.120 -0.003 0.000 0.281 453 V C 0.219 176.194 176.094 -0.199 0.000 1.016 453 V CA -0.882 61.370 62.300 -0.080 0.000 0.832 453 V CB 0.905 32.701 31.823 -0.045 0.000 0.999 453 V HN 0.678 nan 8.190 nan 0.000 0.439 454 N N 2.002 120.347 118.700 -0.592 0.000 2.741 454 N HA -0.175 4.563 4.740 -0.003 0.000 0.250 454 N C -0.242 175.153 175.510 -0.192 0.000 1.115 454 N CA 1.304 53.945 53.050 -0.681 0.000 0.724 454 N CB -1.097 37.317 38.487 -0.121 0.000 1.090 454 N HN 1.058 nan 8.380 nan 0.000 0.558 455 C N -4.019 115.116 119.300 -0.276 0.000 3.295 455 C HA 0.819 5.277 4.460 -0.003 0.000 0.341 455 C C -1.002 173.966 174.990 -0.036 0.000 1.418 455 C CA -1.339 57.700 59.018 0.035 0.000 1.240 455 C CB 1.899 29.656 27.740 0.028 0.000 1.562 455 C HN 0.271 nan 8.230 nan 0.000 0.457 456 Y N -0.074 119.950 120.300 -0.460 0.000 2.558 456 Y HA 0.460 5.009 4.550 -0.003 0.000 0.333 456 Y C -0.401 174.736 175.900 -1.272 0.000 1.125 456 Y CA 0.326 57.888 58.100 -0.896 0.000 1.039 456 Y CB 1.359 39.687 38.460 -0.220 0.000 1.331 456 Y HN 1.018 nan 8.280 nan 0.000 0.456 457 D N 1.950 120.946 120.400 -2.339 0.000 2.837 457 D HA -0.138 4.500 4.640 -0.003 0.000 0.230 457 D C -0.907 174.791 176.300 -1.004 0.000 1.152 457 D CA 0.980 54.229 54.000 -1.252 0.000 0.736 457 D CB -1.130 39.552 40.800 -0.198 0.000 1.084 457 D HN 0.164 nan 8.370 nan 0.000 0.429 458 V N 1.269 120.383 119.914 -1.333 0.000 2.322 458 V HA 0.279 4.398 4.120 -0.003 0.000 0.258 458 V C 0.410 176.326 176.094 -0.297 0.000 1.074 458 V CA -0.177 61.829 62.300 -0.489 0.000 0.909 458 V CB -0.245 31.410 31.823 -0.279 0.000 1.090 458 V HN -0.002 nan 8.190 nan 0.000 0.486 459 F N 2.546 122.511 119.950 0.026 0.000 2.444 459 F HA 0.762 5.287 4.527 -0.003 0.000 0.342 459 F C 0.812 176.596 175.800 -0.027 0.000 1.121 459 F CA -0.552 57.443 58.000 -0.009 0.000 0.997 459 F CB 1.980 40.954 39.000 -0.044 0.000 1.130 459 F HN 0.477 nan 8.300 nan 0.000 0.454 460 G N 0.645 109.494 108.800 0.082 0.000 2.513 460 G HA2 0.519 4.478 3.960 -0.003 0.000 0.317 460 G HA3 0.519 4.478 3.960 -0.003 0.000 0.317 460 G C 0.408 175.225 174.900 -0.138 0.000 1.277 460 G CA -0.437 44.652 45.100 -0.019 0.000 0.955 460 G HN 0.876 nan 8.290 nan 0.000 0.484 461 A N 1.621 124.300 122.820 -0.234 0.000 1.986 461 A HA -0.139 4.180 4.320 -0.003 0.000 0.220 461 A C 2.190 179.218 177.584 -0.927 0.000 1.171 461 A CA 2.059 53.811 52.037 -0.475 0.000 0.640 461 A CB -0.188 18.531 19.000 -0.468 0.000 0.811 461 A HN 0.661 nan 8.150 nan 0.000 0.451 462 Q N -0.460 118.815 119.800 -0.874 0.000 2.451 462 Q HA 0.148 4.486 4.340 -0.003 0.000 0.206 462 Q C 0.083 176.016 176.000 -0.113 0.000 0.947 462 Q CA 0.593 56.059 55.803 -0.561 0.000 0.937 462 Q CB -0.407 28.196 28.738 -0.226 0.000 1.025 462 Q HN 0.358 nan 8.270 nan 0.000 0.511 463 S N 3.787 119.414 115.700 -0.121 0.000 2.429 463 S HA 0.422 4.891 4.470 -0.003 0.000 0.302 463 S C -2.411 172.195 174.600 0.010 0.000 1.115 463 S CA -1.389 56.800 58.200 -0.018 0.000 1.095 463 S CB 1.317 64.497 63.200 -0.033 0.000 0.987 463 S HN 0.155 nan 8.310 nan 0.000 0.474 464 P HA 0.203 nan 4.420 nan 0.000 0.272 464 P C -0.927 176.436 177.300 0.104 0.000 1.223 464 P CA -0.331 62.824 63.100 0.093 0.000 0.784 464 P CB 0.345 32.060 31.700 0.025 0.000 0.923 465 F N 1.721 121.610 119.950 -0.102 0.000 2.771 465 F HA 0.587 5.112 4.527 -0.003 0.000 0.365 465 F C -0.170 175.591 175.800 -0.065 0.000 1.169 465 F CA -0.686 57.261 58.000 -0.088 0.000 1.093 465 F CB 0.802 39.713 39.000 -0.148 0.000 1.363 465 F HN 0.419 nan 8.300 nan 0.000 0.496 466 G N 1.408 110.179 108.800 -0.048 0.000 3.209 466 G HA2 0.749 4.707 3.960 -0.003 0.000 0.236 466 G HA3 0.749 4.707 3.960 -0.003 0.000 0.236 466 G C -0.895 173.930 174.900 -0.126 0.000 1.329 466 G CA -0.607 44.402 45.100 -0.152 0.000 1.015 466 G HN 0.959 nan 8.290 nan 0.000 0.571 467 G N -2.072 106.718 108.800 -0.016 0.000 2.703 467 G HA2 0.522 4.480 3.960 -0.003 0.000 0.294 467 G HA3 0.522 4.480 3.960 -0.003 0.000 0.294 467 G C -1.983 173.069 174.900 0.252 0.000 1.451 467 G CA -0.524 44.627 45.100 0.084 0.000 0.869 467 G HN 0.345 nan 8.290 nan 0.000 0.516 468 Y N 0.877 121.151 120.300 -0.044 0.000 2.519 468 Y HA 0.594 5.143 4.550 -0.002 0.000 0.324 468 Y C 1.470 177.367 175.900 -0.005 0.000 1.214 468 Y CA -0.939 57.141 58.100 -0.034 0.000 1.260 468 Y CB 1.302 39.739 38.460 -0.038 0.000 1.311 468 Y HN 0.915 nan 8.280 nan 0.000 0.505 469 K N -0.399 120.073 120.400 0.120 0.000 2.020 469 K HA -0.288 4.030 4.320 -0.003 0.000 0.142 469 K C 0.238 176.869 176.600 0.052 0.000 1.458 469 K CA 1.832 58.154 56.287 0.058 0.000 0.544 469 K CB -0.904 31.634 32.500 0.064 0.000 0.566 469 K HN 0.603 nan 8.250 nan 0.000 0.927 470 M N 1.365 120.994 119.600 0.049 0.000 2.866 470 M HA 0.042 4.520 4.480 -0.003 0.000 0.231 470 M C 0.323 176.732 176.300 0.181 0.000 1.302 470 M CA 0.606 55.942 55.300 0.060 0.000 1.083 470 M CB -0.068 32.520 32.600 -0.020 0.000 1.499 470 M HN 0.330 nan 8.290 nan 0.000 0.451 471 S N 0.016 115.817 115.700 0.169 0.000 2.556 471 S HA 0.389 4.857 4.470 -0.003 0.000 0.216 471 S C 0.853 175.474 174.600 0.034 0.000 0.970 471 S CA 0.369 58.657 58.200 0.146 0.000 0.912 471 S CB 0.401 63.677 63.200 0.126 0.000 0.790 471 S HN 0.855 nan 8.310 nan 0.000 0.504 472 G N 1.213 110.029 108.800 0.027 0.000 2.498 472 G HA2 -0.048 3.911 3.960 -0.003 0.000 0.651 472 G HA3 -0.048 3.911 3.960 -0.003 0.000 0.651 472 G C -0.633 174.245 174.900 -0.037 0.000 1.284 472 G CA -0.549 44.542 45.100 -0.013 0.000 0.950 472 G HN 0.586 nan 8.290 nan 0.000 0.511 473 S N -0.747 114.922 115.700 -0.052 0.000 2.689 473 S HA 1.001 5.469 4.470 -0.003 0.000 0.306 473 S C 0.717 175.266 174.600 -0.086 0.000 1.104 473 S CA 0.515 58.673 58.200 -0.069 0.000 0.973 473 S CB 1.417 64.580 63.200 -0.063 0.000 1.121 473 S HN 2.881 nan 8.310 nan 0.000 0.523 474 G N 0.837 109.583 108.800 -0.089 0.000 2.856 474 G HA2 0.022 3.980 3.960 -0.003 0.000 0.674 474 G HA3 0.022 3.980 3.960 -0.003 0.000 0.674 474 G C -1.205 173.634 174.900 -0.101 0.000 1.519 474 G CA -0.422 44.623 45.100 -0.092 0.000 0.940 474 G HN 0.872 nan 8.290 nan 0.000 0.564 475 Q N -0.070 119.684 119.800 -0.076 0.000 2.552 475 Q HA 0.804 5.142 4.340 -0.003 0.000 0.289 475 Q C -0.179 175.797 176.000 -0.040 0.000 1.097 475 Q CA -0.896 54.858 55.803 -0.082 0.000 0.812 475 Q CB 1.795 30.509 28.738 -0.040 0.000 1.460 475 Q HN 0.674 nan 8.270 nan 0.000 0.452 476 E N 0.443 120.619 120.200 -0.040 0.000 2.277 476 E HA 0.657 5.005 4.350 -0.003 0.000 0.266 476 E C -0.764 175.815 176.600 -0.035 0.000 0.901 476 E CA -0.676 55.704 56.400 -0.034 0.000 0.782 476 E CB 1.752 31.394 29.700 -0.096 0.000 1.228 476 E HN 0.510 nan 8.360 nan 0.000 0.424 477 L N -0.265 120.970 121.223 0.020 0.000 0.640 477 L HA -0.276 4.062 4.340 -0.003 0.000 0.356 477 L C 0.671 177.687 176.870 0.242 0.000 0.995 477 L CA 0.873 55.780 54.840 0.112 0.000 1.223 477 L CB -1.273 40.673 42.059 -0.190 0.000 0.095 477 L HN 0.988 nan 8.230 nan 0.000 0.099 478 G N -0.112 108.800 108.800 0.186 0.000 2.749 478 G HA2 -0.292 3.667 3.960 -0.003 0.000 0.242 478 G HA3 -0.292 3.667 3.960 -0.003 0.000 0.242 478 G C 0.369 175.448 174.900 0.299 0.000 1.364 478 G CA 0.895 46.179 45.100 0.307 0.000 0.888 478 G HN 1.193 nan 8.290 nan 0.000 0.566 479 E N -1.007 119.282 120.200 0.148 0.000 2.216 479 E HA -0.016 4.333 4.350 -0.003 0.000 0.192 479 E C 2.079 178.494 176.600 -0.308 0.000 0.988 479 E CA 1.203 57.386 56.400 -0.360 0.000 0.834 479 E CB -0.081 29.411 29.700 -0.347 0.000 0.772 479 E HN 0.654 nan 8.360 nan 0.000 0.479 480 Y N -0.018 120.274 120.300 -0.013 0.000 2.333 480 Y HA -0.026 4.522 4.550 -0.003 0.000 0.290 480 Y C 2.438 178.324 175.900 -0.024 0.000 1.144 480 Y CA 1.002 59.096 58.100 -0.009 0.000 1.228 480 Y CB -0.489 37.981 38.460 0.017 0.000 0.985 480 Y HN 0.158 nan 8.280 nan 0.000 0.542 481 G N -0.179 108.718 108.800 0.163 0.000 2.471 481 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.219 481 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.219 481 G C 1.473 176.411 174.900 0.063 0.000 1.125 481 G CA 0.650 45.835 45.100 0.142 0.000 0.775 481 G HN 0.395 nan 8.290 nan 0.000 0.548 482 L N -0.653 120.499 121.223 -0.118 0.000 2.341 482 L HA 0.056 4.394 4.340 -0.003 0.000 0.214 482 L C 2.898 179.641 176.870 -0.211 0.000 1.115 482 L CA 0.274 54.934 54.840 -0.299 0.000 0.820 482 L CB -0.325 41.167 42.059 -0.946 0.000 0.944 482 L HN 0.210 nan 8.230 nan 0.000 0.452 483 Q N 0.427 120.157 119.800 -0.117 0.000 2.096 483 Q HA -0.273 4.065 4.340 -0.003 0.000 0.208 483 Q C 2.340 178.295 176.000 -0.074 0.000 0.993 483 Q CA 2.115 57.901 55.803 -0.029 0.000 0.862 483 Q CB -0.260 28.485 28.738 0.012 0.000 0.915 483 Q HN 0.593 nan 8.270 nan 0.000 0.416 484 A N -0.787 121.947 122.820 -0.144 0.000 2.119 484 A HA -0.104 4.215 4.320 -0.003 0.000 0.217 484 A C 0.888 178.230 177.584 -0.403 0.000 1.153 484 A CA 0.786 52.642 52.037 -0.301 0.000 0.692 484 A CB -0.207 18.530 19.000 -0.439 0.000 0.799 484 A HN 0.440 nan 8.150 nan 0.000 0.458 485 Y N -0.487 119.768 120.300 -0.075 0.000 2.607 485 Y HA 0.234 4.782 4.550 -0.002 0.000 0.266 485 Y C 0.355 176.241 175.900 -0.025 0.000 1.178 485 Y CA -0.085 57.980 58.100 -0.058 0.000 1.226 485 Y CB 0.605 39.016 38.460 -0.082 0.000 1.144 485 Y HN 0.060 nan 8.280 nan 0.000 0.528 486 T N 0.234 114.829 114.554 0.068 0.000 2.863 486 T HA 0.341 4.689 4.350 -0.003 0.000 0.285 486 T C -1.015 173.703 174.700 0.030 0.000 1.009 486 T CA -0.624 61.527 62.100 0.085 0.000 0.989 486 T CB 1.818 70.759 68.868 0.122 0.000 1.004 486 T HN -0.099 nan 8.240 nan 0.000 0.455 487 E N 1.810 122.048 120.200 0.063 0.000 2.151 487 E HA 0.526 4.874 4.350 -0.003 0.000 0.275 487 E C -1.143 175.480 176.600 0.040 0.000 0.936 487 E CA -0.536 55.890 56.400 0.044 0.000 0.777 487 E CB 1.150 30.899 29.700 0.083 0.000 1.108 487 E HN 0.299 nan 8.360 nan 0.000 0.401 488 V N 5.200 125.115 119.914 0.002 0.000 2.370 488 V HA 0.351 4.470 4.120 -0.003 0.000 0.279 488 V C 0.061 176.182 176.094 0.045 0.000 1.029 488 V CA -0.656 61.667 62.300 0.038 0.000 0.870 488 V CB 1.229 33.042 31.823 -0.016 0.000 0.984 488 V HN 0.505 nan 8.190 nan 0.000 0.451 489 K N 3.285 123.726 120.400 0.068 0.000 2.274 489 K HA 0.503 4.821 4.320 -0.003 0.000 0.262 489 K C -0.575 175.997 176.600 -0.046 0.000 0.961 489 K CA -0.361 55.931 56.287 0.009 0.000 0.833 489 K CB 1.488 33.998 32.500 0.017 0.000 1.102 489 K HN 0.679 nan 8.250 nan 0.000 0.436 490 T N 3.053 117.548 114.554 -0.098 0.000 2.771 490 T HA 0.263 4.612 4.350 -0.003 0.000 0.291 490 T C -0.611 173.908 174.700 -0.302 0.000 0.954 490 T CA -0.496 61.493 62.100 -0.186 0.000 1.045 490 T CB 1.121 69.900 68.868 -0.148 0.000 0.917 490 T HN 0.287 nan 8.240 nan 0.000 0.484 491 V N 4.303 123.875 119.914 -0.569 0.000 2.378 491 V HA 0.437 4.555 4.120 -0.003 0.000 0.288 491 V C 0.116 175.809 176.094 -0.668 0.000 1.016 491 V CA -0.704 61.182 62.300 -0.690 0.000 0.840 491 V CB 1.677 32.866 31.823 -1.058 0.000 0.994 491 V HN 0.957 nan 8.190 nan 0.000 0.431 492 T N 4.719 119.057 114.554 -0.361 0.000 2.833 492 T HA 0.550 4.898 4.350 -0.003 0.000 0.297 492 T C -0.357 174.297 174.700 -0.077 0.000 1.015 492 T CA -0.368 61.589 62.100 -0.238 0.000 0.963 492 T CB 1.388 70.119 68.868 -0.229 0.000 0.955 492 T HN 0.340 nan 8.240 nan 0.000 0.449 493 V N 3.578 123.516 119.914 0.039 0.000 2.459 493 V HA 0.455 4.573 4.120 -0.003 0.000 0.295 493 V C 0.444 176.723 176.094 0.308 0.000 1.029 493 V CA -1.214 61.190 62.300 0.173 0.000 0.874 493 V CB 1.689 33.655 31.823 0.239 0.000 0.985 493 V HN 0.737 nan 8.190 nan 0.000 0.438 494 K N 3.647 124.214 120.400 0.278 0.000 2.416 494 K HA 0.413 4.732 4.320 -0.003 0.000 0.283 494 K C -0.471 176.184 176.600 0.092 0.000 1.037 494 K CA -0.169 56.240 56.287 0.202 0.000 0.995 494 K CB 0.792 33.384 32.500 0.153 0.000 0.938 494 K HN 0.715 nan 8.250 nan 0.000 0.475 495 V N 2.261 122.175 119.914 -0.000 0.000 2.864 495 V HA 0.403 4.521 4.120 -0.003 0.000 0.314 495 V C -2.049 174.009 176.094 -0.060 0.000 1.073 495 V CA -1.968 60.334 62.300 0.004 0.000 0.956 495 V CB 1.283 33.129 31.823 0.038 0.000 1.023 495 V HN 0.658 nan 8.190 nan 0.000 0.435 496 P HA -0.125 nan 4.420 nan 0.000 0.214 496 P C 0.089 177.348 177.300 -0.067 0.000 1.169 496 P CA 1.452 64.523 63.100 -0.048 0.000 0.908 496 P CB 0.123 31.802 31.700 -0.034 0.000 0.791 497 Q N -1.261 118.502 119.800 -0.062 0.000 2.331 497 Q HA 0.162 4.500 4.340 -0.003 0.000 0.249 497 Q C -1.089 174.880 176.000 -0.052 0.000 0.913 497 Q CA -0.720 55.044 55.803 -0.065 0.000 0.874 497 Q CB 1.277 29.986 28.738 -0.050 0.000 1.384 497 Q HN -0.130 nan 8.270 nan 0.000 0.427 498 K N 3.866 124.234 120.400 -0.053 0.000 2.298 498 K HA 0.282 4.600 4.320 -0.003 0.000 0.280 498 K C -1.001 175.589 176.600 -0.016 0.000 1.032 498 K CA 0.096 56.370 56.287 -0.022 0.000 0.958 498 K CB 0.640 33.142 32.500 0.003 0.000 0.978 498 K HN 0.642 nan 8.250 nan 0.000 0.472 499 N N 1.351 120.043 118.700 -0.013 0.000 2.284 499 N HA 0.105 4.844 4.740 -0.003 0.000 0.289 499 N C -0.791 174.716 175.510 -0.005 0.000 1.179 499 N CA -0.517 52.526 53.050 -0.011 0.000 0.774 499 N CB 2.006 40.480 38.487 -0.020 0.000 1.548 499 N HN 0.751 nan 8.380 nan 0.000 0.473 500 S N 0.000 115.699 115.700 -0.001 0.000 2.498 500 S HA 0.000 4.468 4.470 -0.003 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 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517