REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1zum_1_K 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 DVDKVAFTGX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSXXG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFX XXXXXXXXXE LGEYGLQAYT KVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.597 177.584 0.021 0.000 1.274 7 A CA 0.000 52.059 52.037 0.037 0.000 0.836 7 A CB 0.000 19.024 19.000 0.041 0.000 0.831 8 V N 0.290 120.179 119.914 -0.041 0.000 2.604 8 V HA 0.925 5.045 4.120 -0.000 0.000 0.305 8 V C -2.568 173.424 176.094 -0.170 0.000 1.043 8 V CA -2.164 60.000 62.300 -0.226 0.000 0.888 8 V CB 0.993 32.641 31.823 -0.293 0.000 0.995 8 V HN 0.639 nan 8.190 nan 0.000 0.429 9 P HA 0.418 nan 4.420 nan 0.000 0.269 9 P C -0.026 177.274 177.300 -0.000 0.000 1.209 9 P CA 0.140 63.187 63.100 -0.089 0.000 0.776 9 P CB 0.539 32.194 31.700 -0.075 0.000 0.876 10 A N 4.670 127.481 122.820 -0.015 0.000 2.524 10 A HA 0.315 4.635 4.320 -0.000 0.000 0.250 10 A C -1.656 175.839 177.584 -0.149 0.000 1.078 10 A CA -0.669 51.334 52.037 -0.057 0.000 0.761 10 A CB -0.974 17.991 19.000 -0.058 0.000 1.012 10 A HN 0.439 nan 8.150 nan 0.000 0.500 11 P HA 0.159 nan 4.420 nan 0.000 0.278 11 P C -0.876 176.179 177.300 -0.408 0.000 1.258 11 P CA -0.731 62.024 63.100 -0.575 0.000 0.811 11 P CB 0.808 31.741 31.700 -1.278 0.000 1.063 12 N N 1.364 119.861 118.700 -0.339 0.000 2.500 12 N HA 0.041 4.781 4.740 -0.000 0.000 0.236 12 N C 0.886 176.070 175.510 -0.542 0.000 1.022 12 N CA -0.004 52.863 53.050 -0.305 0.000 0.935 12 N CB 0.463 38.869 38.487 -0.135 0.000 1.147 12 N HN 0.249 nan 8.380 nan 0.000 0.512 13 Q N 1.720 121.055 119.800 -0.775 0.000 2.439 13 Q HA -0.093 4.246 4.340 -0.000 0.000 0.211 13 Q C -0.174 175.397 176.000 -0.715 0.000 0.978 13 Q CA 1.027 56.032 55.803 -1.330 0.000 0.897 13 Q CB 0.207 28.339 28.738 -1.011 0.000 0.956 13 Q HN 0.648 nan 8.270 nan 0.000 0.483 14 Q N 0.850 120.420 119.800 -0.385 0.000 3.075 14 Q HA 0.236 4.575 4.340 -0.000 0.000 0.318 14 Q C -2.436 173.475 176.000 -0.148 0.000 0.907 14 Q CA -1.466 54.213 55.803 -0.206 0.000 0.882 14 Q CB 1.388 30.029 28.738 -0.160 0.000 1.386 14 Q HN 0.127 nan 8.270 nan 0.000 0.408 15 P HA -0.055 nan 4.420 nan 0.000 0.268 15 P C -0.373 176.883 177.300 -0.073 0.000 1.205 15 P CA 0.063 63.130 63.100 -0.055 0.000 0.771 15 P CB 1.051 32.676 31.700 -0.124 0.000 0.858 16 E N 1.649 121.799 120.200 -0.084 0.000 2.366 16 E HA 0.214 4.564 4.350 -0.000 0.000 0.266 16 E C -0.833 175.486 176.600 -0.469 0.000 1.051 16 E CA -0.657 55.540 56.400 -0.339 0.000 0.884 16 E CB 0.707 30.082 29.700 -0.541 0.000 1.006 16 E HN 0.149 nan 8.360 nan 0.000 0.417 17 V N 6.058 125.701 119.914 -0.451 0.000 2.370 17 V HA 0.134 4.254 4.120 -0.000 0.000 0.279 17 V C 0.021 175.862 176.094 -0.421 0.000 1.029 17 V CA -0.119 61.998 62.300 -0.306 0.000 0.870 17 V CB 0.810 32.536 31.823 -0.163 0.000 0.984 17 V HN 0.723 nan 8.190 nan 0.000 0.451 18 F N 1.778 121.753 119.950 0.041 0.000 2.678 18 F HA 0.229 4.756 4.527 -0.000 0.000 0.291 18 F C 0.971 176.652 175.800 -0.198 0.000 1.123 18 F CA -0.005 57.975 58.000 -0.033 0.000 1.395 18 F CB 0.405 39.438 39.000 0.055 0.000 1.121 18 F HN 0.387 nan 8.300 nan 0.000 0.592 19 C N 1.865 121.131 119.300 -0.056 0.000 2.396 19 C HA 0.441 4.901 4.460 -0.000 0.000 0.321 19 C C 0.190 174.997 174.990 -0.305 0.000 1.233 19 C CA -0.894 57.842 59.018 -0.470 0.000 1.440 19 C CB 0.668 28.071 27.740 -0.563 0.000 2.110 19 C HN 0.530 nan 8.230 nan 0.000 0.473 20 N N 1.185 119.680 118.700 -0.342 0.000 2.453 20 N HA 0.075 4.815 4.740 -0.000 0.000 0.267 20 N C -0.566 174.890 175.510 -0.091 0.000 1.482 20 N CA -0.265 52.682 53.050 -0.171 0.000 0.841 20 N CB 0.037 38.423 38.487 -0.169 0.000 1.408 20 N HN 0.818 nan 8.380 nan 0.000 0.490 21 Q N -0.123 119.687 119.800 0.017 0.000 3.017 21 Q HA 0.577 4.917 4.340 -0.000 0.000 0.299 21 Q C -0.483 175.817 176.000 0.501 0.000 1.046 21 Q CA -0.989 54.960 55.803 0.244 0.000 0.821 21 Q CB 1.934 30.848 28.738 0.293 0.000 1.481 21 Q HN 0.111 nan 8.270 nan 0.000 0.494 22 I N 1.328 122.149 120.570 0.417 0.000 2.441 22 I HA 0.145 4.315 4.170 -0.000 0.000 0.287 22 I C -0.738 175.581 176.117 0.336 0.000 1.049 22 I CA -0.080 61.429 61.300 0.349 0.000 1.381 22 I CB 0.364 38.503 38.000 0.232 0.000 1.409 22 I HN 0.378 nan 8.210 nan 0.000 0.523 23 F N 8.330 128.271 119.950 -0.015 0.000 2.334 23 F HA 0.586 5.113 4.527 -0.000 0.000 0.367 23 F C -0.449 175.244 175.800 -0.180 0.000 1.115 23 F CA -0.368 57.393 58.000 -0.398 0.000 1.116 23 F CB 0.340 38.970 39.000 -0.618 0.000 1.230 23 F HN 0.179 nan 8.300 nan 0.000 0.484 24 I N 5.548 125.863 120.570 -0.424 0.000 2.569 24 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 24 I C -0.425 175.469 176.117 -0.370 0.000 1.088 24 I CA -1.096 60.042 61.300 -0.271 0.000 1.047 24 I CB 1.823 39.750 38.000 -0.121 0.000 1.237 24 I HN 0.475 nan 8.210 nan 0.000 0.421 25 N N 4.903 123.394 118.700 -0.348 0.000 2.725 25 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 25 N C 0.051 175.305 175.510 -0.427 0.000 1.031 25 N CA 1.244 54.126 53.050 -0.281 0.000 0.720 25 N CB -1.022 37.382 38.487 -0.137 0.000 0.930 25 N HN 0.937 nan 8.380 nan 0.000 0.543 26 N N -1.579 116.645 118.700 -0.794 0.000 2.708 26 N HA -0.248 4.492 4.740 -0.000 0.000 0.251 26 N C -0.844 174.187 175.510 -0.798 0.000 1.123 26 N CA 1.223 53.785 53.050 -0.813 0.000 0.739 26 N CB -0.380 37.972 38.487 -0.224 0.000 1.113 26 N HN 0.626 nan 8.380 nan 0.000 0.561 27 E N -0.873 118.742 120.200 -0.974 0.000 2.312 27 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 27 E C -0.990 175.013 176.600 -0.994 0.000 0.894 27 E CA -0.703 55.249 56.400 -0.746 0.000 0.773 27 E CB 1.121 30.518 29.700 -0.504 0.000 1.241 27 E HN 0.128 nan 8.360 nan 0.000 0.432 28 W N 2.091 123.121 121.300 -0.449 0.000 2.361 28 W HA 0.280 4.940 4.660 -0.000 0.000 0.309 28 W C 0.172 176.416 176.519 -0.458 0.000 1.122 28 W CA -0.332 56.842 57.345 -0.286 0.000 1.208 28 W CB 0.818 30.235 29.460 -0.070 0.000 1.246 28 W HN 0.299 nan 8.180 nan 0.000 0.490 29 H N 1.851 121.052 119.070 0.219 0.000 2.690 29 H HA 0.248 4.804 4.556 -0.000 0.000 0.368 29 H C -0.569 174.837 175.328 0.131 0.000 1.150 29 H CA -0.893 55.228 56.048 0.122 0.000 1.174 29 H CB 1.758 31.544 29.762 0.041 0.000 1.684 29 H HN 0.248 nan 8.280 nan 0.000 0.538 30 D N 0.593 121.119 120.400 0.210 0.000 2.354 30 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 30 D C 0.433 176.806 176.300 0.122 0.000 1.138 30 D CA -0.409 53.671 54.000 0.133 0.000 0.958 30 D CB 1.150 42.003 40.800 0.088 0.000 1.144 30 D HN 0.620 nan 8.370 nan 0.000 0.458 31 A N 0.551 123.423 122.820 0.086 0.000 2.425 31 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 31 A C 1.536 179.153 177.584 0.055 0.000 1.077 31 A CA -0.478 51.600 52.037 0.069 0.000 0.781 31 A CB 0.341 19.376 19.000 0.059 0.000 1.020 31 A HN 0.406 nan 8.150 nan 0.000 0.494 32 V N 2.118 122.056 119.914 0.041 0.000 2.392 32 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 32 V C 2.704 178.819 176.094 0.034 0.000 1.059 32 V CA 2.800 65.119 62.300 0.030 0.000 1.051 32 V CB -0.849 30.986 31.823 0.019 0.000 0.658 32 V HN 1.118 nan 8.190 nan 0.000 0.455 33 S N -1.065 114.659 115.700 0.039 0.000 2.522 33 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 33 S C 1.308 175.933 174.600 0.042 0.000 0.986 33 S CA 0.364 58.589 58.200 0.041 0.000 0.929 33 S CB -0.045 63.184 63.200 0.049 0.000 0.769 33 S HN 0.527 nan 8.310 nan 0.000 0.529 34 R N -0.254 120.271 120.500 0.043 0.000 3.922 34 R HA -0.106 4.234 4.340 -0.000 0.000 0.447 34 R C -0.388 175.936 176.300 0.039 0.000 1.035 34 R CA 1.285 57.409 56.100 0.040 0.000 1.289 34 R CB -2.396 27.925 30.300 0.035 0.000 1.906 34 R HN 0.573 nan 8.270 nan 0.000 0.540 35 K N 0.826 121.256 120.400 0.049 0.000 2.276 35 K HA 0.276 4.596 4.320 -0.000 0.000 0.259 35 K C 0.609 177.237 176.600 0.048 0.000 1.001 35 K CA 0.745 57.068 56.287 0.061 0.000 0.927 35 K CB 0.616 33.167 32.500 0.086 0.000 0.969 35 K HN 0.097 nan 8.250 nan 0.000 0.490 36 T N 1.566 116.153 114.554 0.055 0.000 2.932 36 T HA 0.551 4.900 4.350 -0.000 0.000 0.318 36 T C -1.740 173.005 174.700 0.076 0.000 1.265 36 T CA -0.885 61.211 62.100 -0.007 0.000 1.036 36 T CB 0.489 69.319 68.868 -0.063 0.000 1.209 36 T HN 0.415 nan 8.240 nan 0.000 0.484 37 F N 3.298 123.247 119.950 -0.002 0.000 2.546 37 F HA 0.927 5.454 4.527 -0.000 0.000 0.320 37 F C -2.884 172.947 175.800 0.052 0.000 1.076 37 F CA -2.900 55.137 58.000 0.062 0.000 0.928 37 F CB 1.223 40.273 39.000 0.083 0.000 1.189 37 F HN 0.252 nan 8.300 nan 0.000 0.465 38 P HA 0.189 nan 4.420 nan 0.000 0.286 38 P C -0.968 176.482 177.300 0.250 0.000 1.261 38 P CA -0.211 62.967 63.100 0.130 0.000 0.821 38 P CB 1.938 33.706 31.700 0.113 0.000 1.013 39 T N 1.614 116.238 114.554 0.117 0.000 2.797 39 T HA 0.423 4.773 4.350 -0.000 0.000 0.279 39 T C -0.531 174.213 174.700 0.074 0.000 0.991 39 T CA -0.500 61.691 62.100 0.152 0.000 0.979 39 T CB 0.293 69.229 68.868 0.112 0.000 0.943 39 T HN 0.079 nan 8.240 nan 0.000 0.444 40 V N 5.416 125.373 119.914 0.071 0.000 2.612 40 V HA 0.486 4.606 4.120 -0.000 0.000 0.301 40 V C 0.443 176.539 176.094 0.003 0.000 1.046 40 V CA -1.197 61.124 62.300 0.035 0.000 0.946 40 V CB 1.743 33.602 31.823 0.059 0.000 1.003 40 V HN 0.880 nan 8.190 nan 0.000 0.459 41 N N 5.381 124.065 118.700 -0.028 0.000 2.415 41 N HA 0.236 4.976 4.740 -0.000 0.000 0.246 41 N C -1.363 174.075 175.510 -0.120 0.000 1.078 41 N CA -2.142 50.876 53.050 -0.054 0.000 0.942 41 N CB 1.611 40.075 38.487 -0.039 0.000 1.140 41 N HN 0.332 nan 8.380 nan 0.000 0.501 42 P HA -0.060 nan 4.420 nan 0.000 0.225 42 P C 0.615 177.630 177.300 -0.476 0.000 1.148 42 P CA 0.778 63.735 63.100 -0.238 0.000 0.779 42 P CB 0.425 32.058 31.700 -0.112 0.000 0.780 43 S N -0.663 114.861 115.700 -0.293 0.000 2.461 43 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 43 S C 1.748 176.314 174.600 -0.056 0.000 1.005 43 S CA 1.708 59.808 58.200 -0.167 0.000 0.942 43 S CB -0.493 62.725 63.200 0.029 0.000 0.776 43 S HN 0.453 nan 8.310 nan 0.000 0.514 44 T N -3.579 110.883 114.554 -0.154 0.000 2.969 44 T HA 0.461 4.811 4.350 -0.000 0.000 0.258 44 T C 1.450 176.019 174.700 -0.217 0.000 0.962 44 T CA 0.743 62.767 62.100 -0.126 0.000 0.903 44 T CB 0.445 69.275 68.868 -0.062 0.000 1.177 44 T HN 0.441 nan 8.240 nan 0.000 0.511 45 G N 1.555 110.159 108.800 -0.327 0.000 2.184 45 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 45 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 45 G C -0.212 174.620 174.900 -0.113 0.000 0.975 45 G CA 0.293 45.210 45.100 -0.306 0.000 0.642 45 G HN 0.684 nan 8.290 nan 0.000 0.536 46 E N -0.252 119.894 120.200 -0.090 0.000 2.283 46 E HA 0.498 4.848 4.350 -0.000 0.000 0.271 46 E C 0.435 177.019 176.600 -0.027 0.000 1.031 46 E CA -0.830 55.543 56.400 -0.045 0.000 0.868 46 E CB 1.979 31.653 29.700 -0.043 0.000 1.094 46 E HN 0.090 nan 8.360 nan 0.000 0.401 47 V N 3.816 123.723 119.914 -0.012 0.000 2.572 47 V HA -0.044 4.076 4.120 -0.000 0.000 0.291 47 V C 1.308 177.391 176.094 -0.019 0.000 1.039 47 V CA 0.544 62.842 62.300 -0.003 0.000 1.055 47 V CB 0.387 32.212 31.823 0.004 0.000 0.969 47 V HN 0.687 nan 8.190 nan 0.000 0.482 48 I N 3.532 124.090 120.570 -0.019 0.000 2.296 48 I HA 0.051 4.221 4.170 -0.000 0.000 0.242 48 I C 0.996 177.082 176.117 -0.051 0.000 1.087 48 I CA 1.400 62.679 61.300 -0.035 0.000 1.393 48 I CB 0.249 38.231 38.000 -0.030 0.000 1.093 48 I HN 0.895 nan 8.210 nan 0.000 0.421 49 C N -1.865 117.401 119.300 -0.055 0.000 3.211 49 C HA 0.506 4.965 4.460 -0.000 0.000 0.350 49 C C -0.926 174.003 174.990 -0.101 0.000 1.413 49 C CA -1.087 57.885 59.018 -0.078 0.000 1.203 49 C CB 1.144 28.825 27.740 -0.099 0.000 1.506 49 C HN 0.222 nan 8.230 nan 0.000 0.448 50 Q N 0.298 120.024 119.800 -0.124 0.000 2.230 50 Q HA 0.826 5.166 4.340 -0.000 0.000 0.248 50 Q C -0.747 175.083 176.000 -0.283 0.000 0.915 50 Q CA -0.273 55.426 55.803 -0.175 0.000 0.900 50 Q CB 1.597 30.266 28.738 -0.115 0.000 1.229 50 Q HN 0.816 nan 8.270 nan 0.000 0.439 51 V N 1.630 121.236 119.914 -0.514 0.000 2.760 51 V HA 0.678 4.798 4.120 -0.000 0.000 0.309 51 V C -0.802 174.934 176.094 -0.597 0.000 1.077 51 V CA -1.239 60.688 62.300 -0.622 0.000 0.910 51 V CB 1.914 33.176 31.823 -0.936 0.000 1.008 51 V HN 0.936 nan 8.190 nan 0.000 0.424 52 A N 2.732 125.400 122.820 -0.254 0.000 2.566 52 A HA 0.166 4.486 4.320 -0.000 0.000 0.245 52 A C 0.425 178.007 177.584 -0.004 0.000 1.056 52 A CA 0.374 52.363 52.037 -0.081 0.000 0.757 52 A CB -0.089 18.934 19.000 0.039 0.000 0.979 52 A HN 0.889 nan 8.150 nan 0.000 0.508 53 E N 3.179 123.416 120.200 0.062 0.000 1.936 53 E HA 0.345 4.695 4.350 -0.000 0.000 0.267 53 E C 0.625 177.248 176.600 0.037 0.000 1.076 53 E CA -0.279 56.190 56.400 0.114 0.000 0.870 53 E CB 0.158 29.906 29.700 0.080 0.000 1.093 53 E HN 0.799 nan 8.360 nan 0.000 0.411 54 G N 3.430 112.260 108.800 0.050 0.000 2.441 54 G HA2 0.043 4.002 3.960 -0.000 0.000 0.243 54 G HA3 0.043 4.002 3.960 -0.000 0.000 0.243 54 G C -0.280 174.634 174.900 0.024 0.000 1.281 54 G CA -0.232 44.896 45.100 0.047 0.000 0.854 54 G HN 0.563 nan 8.290 nan 0.000 0.560 55 D N -0.220 120.205 120.400 0.040 0.000 2.801 55 D HA 0.203 4.843 4.640 -0.000 0.000 0.277 55 D C 1.362 177.690 176.300 0.048 0.000 1.125 55 D CA -0.800 53.228 54.000 0.047 0.000 1.102 55 D CB 1.628 42.459 40.800 0.052 0.000 1.400 55 D HN 0.285 nan 8.370 nan 0.000 0.601 56 K N 0.345 120.772 120.400 0.045 0.000 2.059 56 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 56 K C 1.507 178.132 176.600 0.043 0.000 1.050 56 K CA 1.793 58.105 56.287 0.042 0.000 0.927 56 K CB 0.042 32.557 32.500 0.024 0.000 0.714 56 K HN 0.318 nan 8.250 nan 0.000 0.447 57 E N 0.160 120.380 120.200 0.032 0.000 2.150 57 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 57 E C 1.669 178.282 176.600 0.021 0.000 0.985 57 E CA 1.205 57.620 56.400 0.024 0.000 0.814 57 E CB 0.022 29.732 29.700 0.017 0.000 0.752 57 E HN 0.446 nan 8.360 nan 0.000 0.466 58 D N 0.392 120.807 120.400 0.026 0.000 2.149 58 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 58 D C 2.095 178.408 176.300 0.022 0.000 0.972 58 D CA 0.734 54.744 54.000 0.017 0.000 0.835 58 D CB 0.143 40.964 40.800 0.035 0.000 0.966 58 D HN 0.044 nan 8.370 nan 0.000 0.476 59 V N 1.451 121.393 119.914 0.047 0.000 2.358 59 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 59 V C 2.133 178.273 176.094 0.076 0.000 1.047 59 V CA 1.719 64.056 62.300 0.062 0.000 1.035 59 V CB -0.377 31.500 31.823 0.090 0.000 0.658 59 V HN 0.050 nan 8.190 nan 0.000 0.452 60 D N -0.046 120.420 120.400 0.111 0.000 2.144 60 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 60 D C 2.210 178.545 176.300 0.058 0.000 0.984 60 D CA 1.280 55.375 54.000 0.158 0.000 0.834 60 D CB -0.044 40.834 40.800 0.129 0.000 0.955 60 D HN 0.368 nan 8.370 nan 0.000 0.465 61 K N -0.226 120.177 120.400 0.005 0.000 2.097 61 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 61 K C 2.108 178.668 176.600 -0.065 0.000 1.050 61 K CA 0.965 57.224 56.287 -0.048 0.000 0.938 61 K CB -0.038 32.402 32.500 -0.100 0.000 0.718 61 K HN 0.102 nan 8.250 nan 0.000 0.442 62 A N 0.972 123.761 122.820 -0.051 0.000 1.873 62 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 62 A C 2.348 179.889 177.584 -0.073 0.000 1.186 62 A CA 1.219 53.222 52.037 -0.056 0.000 0.616 62 A CB -0.594 18.390 19.000 -0.026 0.000 0.823 62 A HN 0.051 nan 8.150 nan 0.000 0.442 63 V N 0.090 119.943 119.914 -0.101 0.000 2.343 63 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 63 V C 2.449 178.471 176.094 -0.122 0.000 1.051 63 V CA 2.392 64.579 62.300 -0.187 0.000 1.036 63 V CB -0.683 30.853 31.823 -0.479 0.000 0.654 63 V HN 0.533 nan 8.190 nan 0.000 0.451 64 K N 0.134 120.494 120.400 -0.067 0.000 2.097 64 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 64 K C 2.283 178.870 176.600 -0.022 0.000 1.049 64 K CA 1.433 57.705 56.287 -0.025 0.000 0.933 64 K CB -0.406 32.091 32.500 -0.004 0.000 0.717 64 K HN 0.480 nan 8.250 nan 0.000 0.442 65 A N 1.163 123.958 122.820 -0.041 0.000 1.898 65 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 65 A C 2.318 179.890 177.584 -0.020 0.000 1.181 65 A CA 1.740 53.753 52.037 -0.040 0.000 0.620 65 A CB -0.665 18.291 19.000 -0.073 0.000 0.819 65 A HN 0.327 nan 8.150 nan 0.000 0.442 66 A N -0.070 122.732 122.820 -0.030 0.000 1.877 66 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 66 A C 2.182 179.801 177.584 0.059 0.000 1.186 66 A CA 2.113 54.144 52.037 -0.009 0.000 0.620 66 A CB -0.459 18.511 19.000 -0.050 0.000 0.822 66 A HN 0.444 nan 8.150 nan 0.000 0.443 67 R N 0.349 120.872 120.500 0.038 0.000 2.091 67 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 67 R C 2.091 178.480 176.300 0.148 0.000 1.136 67 R CA 2.031 58.190 56.100 0.099 0.000 0.959 67 R CB -0.961 29.367 30.300 0.048 0.000 0.856 67 R HN 0.399 nan 8.270 nan 0.000 0.437 68 A N 0.195 123.069 122.820 0.089 0.000 1.877 68 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 68 A C 2.339 179.988 177.584 0.107 0.000 1.186 68 A CA 1.733 53.818 52.037 0.080 0.000 0.620 68 A CB -1.088 17.936 19.000 0.041 0.000 0.822 68 A HN 0.470 nan 8.150 nan 0.000 0.443 69 A N -2.198 120.692 122.820 0.116 0.000 2.121 69 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 69 A C 1.729 179.473 177.584 0.266 0.000 1.154 69 A CA 1.264 53.390 52.037 0.148 0.000 0.679 69 A CB -0.566 18.483 19.000 0.082 0.000 0.795 69 A HN 0.620 nan 8.150 nan 0.000 0.458 70 F N 0.196 120.221 119.950 0.125 0.000 2.727 70 F HA 0.200 4.727 4.527 -0.000 0.000 0.302 70 F C 0.699 176.570 175.800 0.119 0.000 1.097 70 F CA -0.235 57.863 58.000 0.164 0.000 1.330 70 F CB 0.170 39.250 39.000 0.134 0.000 1.084 70 F HN 0.092 nan 8.300 nan 0.000 0.578 71 Q N 1.627 121.464 119.800 0.060 0.000 2.361 71 Q HA 0.045 4.385 4.340 -0.000 0.000 0.276 71 Q C -0.271 175.671 176.000 -0.096 0.000 1.022 71 Q CA -0.204 55.593 55.803 -0.009 0.000 0.898 71 Q CB 0.907 29.668 28.738 0.039 0.000 1.246 71 Q HN 0.214 nan 8.270 nan 0.000 0.410 72 L N 1.720 122.879 121.223 -0.107 0.000 2.559 72 L HA 0.107 4.447 4.340 -0.000 0.000 0.274 72 L C 1.269 178.106 176.870 -0.055 0.000 1.205 72 L CA 2.189 56.966 54.840 -0.105 0.000 0.907 72 L CB -0.030 41.988 42.059 -0.068 0.000 1.153 72 L HN 0.938 nan 8.230 nan 0.000 0.490 73 G N 1.826 110.593 108.800 -0.055 0.000 2.213 73 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 73 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 73 G C 0.365 175.262 174.900 -0.005 0.000 0.991 73 G CA 0.286 45.371 45.100 -0.025 0.000 0.629 73 G HN 1.062 nan 8.290 nan 0.000 0.517 74 S N 0.703 116.405 115.700 0.002 0.000 2.596 74 S HA 0.538 5.008 4.470 -0.000 0.000 0.260 74 S C -0.631 174.012 174.600 0.073 0.000 1.336 74 S CA -0.151 58.078 58.200 0.047 0.000 0.993 74 S CB 1.706 64.953 63.200 0.078 0.000 0.923 74 S HN 0.026 nan 8.310 nan 0.000 0.567 75 P HA -0.092 nan 4.420 nan 0.000 0.215 75 P C 1.291 178.718 177.300 0.213 0.000 1.153 75 P CA 1.129 64.311 63.100 0.136 0.000 0.853 75 P CB -0.110 31.678 31.700 0.147 0.000 0.788 76 W N 0.297 121.626 121.300 0.049 0.000 2.388 76 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 76 W C 1.618 178.163 176.519 0.044 0.000 1.212 76 W CA 0.754 58.144 57.345 0.075 0.000 1.271 76 W CB -0.063 29.466 29.460 0.115 0.000 1.126 76 W HN -0.145 nan 8.180 nan 0.000 0.535 77 R N 0.243 120.740 120.500 -0.004 0.000 2.119 77 R HA -0.016 4.324 4.340 -0.000 0.000 0.222 77 R C 2.048 178.262 176.300 -0.143 0.000 1.088 77 R CA 0.839 56.838 56.100 -0.169 0.000 0.984 77 R CB -0.665 29.522 30.300 -0.188 0.000 0.884 77 R HN 0.300 nan 8.270 nan 0.000 0.447 78 R N -0.114 120.342 120.500 -0.073 0.000 2.240 78 R HA 0.166 4.506 4.340 -0.000 0.000 0.203 78 R C 1.088 177.349 176.300 -0.064 0.000 1.011 78 R CA -0.180 55.885 56.100 -0.059 0.000 1.007 78 R CB -0.013 30.270 30.300 -0.027 0.000 0.911 78 R HN 0.113 nan 8.270 nan 0.000 0.468 79 M N 2.227 121.785 119.600 -0.070 0.000 2.251 79 M HA -0.059 4.421 4.480 -0.000 0.000 0.343 79 M C -0.696 175.557 176.300 -0.079 0.000 1.245 79 M CA 0.449 55.719 55.300 -0.050 0.000 1.061 79 M CB 0.513 33.098 32.600 -0.024 0.000 1.723 79 M HN -0.080 nan 8.290 nan 0.000 0.449 80 D N 3.800 124.182 120.400 -0.029 0.000 2.423 80 D HA 0.099 4.739 4.640 -0.000 0.000 0.238 80 D C 0.809 177.100 176.300 -0.015 0.000 1.142 80 D CA 0.516 54.505 54.000 -0.018 0.000 0.884 80 D CB 1.074 41.874 40.800 -0.000 0.000 1.199 80 D HN 0.761 nan 8.370 nan 0.000 0.438 81 A N 2.106 124.913 122.820 -0.022 0.000 1.908 81 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 81 A C 2.086 179.682 177.584 0.019 0.000 1.181 81 A CA 2.189 54.216 52.037 -0.017 0.000 0.627 81 A CB -0.652 18.360 19.000 0.020 0.000 0.818 81 A HN 0.589 nan 8.150 nan 0.000 0.445 82 S N -1.278 114.446 115.700 0.039 0.000 2.442 82 S HA -0.230 4.240 4.470 -0.000 0.000 0.236 82 S C 1.814 176.461 174.600 0.078 0.000 1.007 82 S CA 1.579 59.810 58.200 0.052 0.000 0.965 82 S CB -0.629 62.599 63.200 0.047 0.000 0.773 82 S HN 0.723 nan 8.310 nan 0.000 0.504 83 H N 1.765 120.817 119.070 -0.029 0.000 2.436 83 H HA 0.252 4.808 4.556 -0.000 0.000 0.294 83 H C 2.246 177.560 175.328 -0.023 0.000 1.048 83 H CA 1.385 57.415 56.048 -0.031 0.000 1.353 83 H CB -0.111 29.627 29.762 -0.041 0.000 1.414 83 H HN 0.368 nan 8.280 nan 0.000 0.536 84 R N -0.687 119.777 120.500 -0.059 0.000 2.120 84 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 84 R C 2.474 178.796 176.300 0.037 0.000 1.123 84 R CA 1.021 57.106 56.100 -0.024 0.000 0.975 84 R CB -0.440 29.817 30.300 -0.070 0.000 0.866 84 R HN 0.399 nan 8.270 nan 0.000 0.446 85 G N 1.199 110.015 108.800 0.026 0.000 2.402 85 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 85 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 85 G C 1.440 176.345 174.900 0.008 0.000 1.162 85 G CA 0.183 45.312 45.100 0.049 0.000 0.777 85 G HN 0.114 nan 8.290 nan 0.000 0.539 86 R N 0.256 120.720 120.500 -0.059 0.000 2.081 86 R HA 0.067 4.406 4.340 -0.000 0.000 0.235 86 R C 2.638 178.849 176.300 -0.149 0.000 1.131 86 R CA 0.606 56.654 56.100 -0.087 0.000 0.960 86 R CB -1.113 29.137 30.300 -0.083 0.000 0.856 86 R HN 0.403 nan 8.270 nan 0.000 0.436 87 L N 0.439 121.481 121.223 -0.302 0.000 2.046 87 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 87 L C 2.483 179.337 176.870 -0.027 0.000 1.077 87 L CA 1.042 55.633 54.840 -0.414 0.000 0.747 87 L CB -0.479 40.968 42.059 -1.019 0.000 0.896 87 L HN 0.114 nan 8.230 nan 0.000 0.432 88 L N -0.455 120.869 121.223 0.170 0.000 2.056 88 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 88 L C 2.387 179.363 176.870 0.177 0.000 1.078 88 L CA 1.026 56.044 54.840 0.297 0.000 0.749 88 L CB -0.589 41.634 42.059 0.274 0.000 0.901 88 L HN 0.361 nan 8.230 nan 0.000 0.433 89 N N -0.007 118.755 118.700 0.104 0.000 2.223 89 N HA -0.197 4.543 4.740 -0.000 0.000 0.185 89 N C 1.964 177.516 175.510 0.071 0.000 1.016 89 N CA 0.955 54.052 53.050 0.078 0.000 0.863 89 N CB -0.154 38.361 38.487 0.047 0.000 0.983 89 N HN 0.183 nan 8.380 nan 0.000 0.429 90 R N 1.504 122.037 120.500 0.055 0.000 2.075 90 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 90 R C 2.079 178.435 176.300 0.094 0.000 1.126 90 R CA 0.807 56.938 56.100 0.051 0.000 0.963 90 R CB -1.031 29.273 30.300 0.006 0.000 0.858 90 R HN 0.158 nan 8.270 nan 0.000 0.435 91 L N 0.419 121.736 121.223 0.156 0.000 2.042 91 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 91 L C 2.094 179.034 176.870 0.116 0.000 1.076 91 L CA 2.329 57.271 54.840 0.169 0.000 0.749 91 L CB -1.094 41.108 42.059 0.240 0.000 0.893 91 L HN 0.273 nan 8.230 nan 0.000 0.432 92 A N -0.957 121.930 122.820 0.112 0.000 1.902 92 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 92 A C 2.033 179.664 177.584 0.078 0.000 1.181 92 A CA 1.837 53.928 52.037 0.091 0.000 0.623 92 A CB -0.816 18.239 19.000 0.093 0.000 0.818 92 A HN 0.558 nan 8.150 nan 0.000 0.443 93 D N -0.041 120.404 120.400 0.074 0.000 2.144 93 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 93 D C 1.946 178.290 176.300 0.072 0.000 0.984 93 D CA 0.961 55.000 54.000 0.065 0.000 0.834 93 D CB -0.197 40.637 40.800 0.056 0.000 0.955 93 D HN 0.466 nan 8.370 nan 0.000 0.465 94 L N 0.369 121.639 121.223 0.079 0.000 2.072 94 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 94 L C 2.526 179.466 176.870 0.115 0.000 1.079 94 L CA 0.555 55.447 54.840 0.087 0.000 0.752 94 L CB -0.198 41.908 42.059 0.077 0.000 0.906 94 L HN -0.019 nan 8.230 nan 0.000 0.436 95 I N -0.135 120.503 120.570 0.112 0.000 2.315 95 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 95 I C 2.563 178.745 176.117 0.108 0.000 1.117 95 I CA 1.265 62.641 61.300 0.127 0.000 1.404 95 I CB -0.172 37.887 38.000 0.097 0.000 1.071 95 I HN 0.327 nan 8.210 nan 0.000 0.419 96 E N 1.222 121.470 120.200 0.080 0.000 2.106 96 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 96 E C 2.380 179.036 176.600 0.092 0.000 0.984 96 E CA 0.837 57.274 56.400 0.063 0.000 0.806 96 E CB 0.012 29.741 29.700 0.049 0.000 0.750 96 E HN 0.268 nan 8.360 nan 0.000 0.458 97 R N 0.333 120.893 120.500 0.100 0.000 2.081 97 R HA -0.129 4.210 4.340 -0.000 0.000 0.235 97 R C 0.429 176.811 176.300 0.137 0.000 1.131 97 R CA 1.793 57.957 56.100 0.106 0.000 0.960 97 R CB 0.043 30.397 30.300 0.091 0.000 0.856 97 R HN 0.128 nan 8.270 nan 0.000 0.436 98 D N -0.151 120.352 120.400 0.172 0.000 2.460 98 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 98 D C 1.066 177.515 176.300 0.249 0.000 1.170 98 D CA -0.032 54.104 54.000 0.227 0.000 0.827 98 D CB 0.219 41.205 40.800 0.310 0.000 0.973 98 D HN 0.233 nan 8.370 nan 0.000 0.496 99 R N 0.427 121.046 120.500 0.198 0.000 2.082 99 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 99 R C 1.535 178.020 176.300 0.308 0.000 1.136 99 R CA 1.767 57.968 56.100 0.169 0.000 0.935 99 R CB -0.129 30.207 30.300 0.060 0.000 0.842 99 R HN 0.012 nan 8.270 nan 0.000 0.430 100 T N 0.209 115.015 114.554 0.421 0.000 2.635 100 T HA -0.256 4.093 4.350 -0.000 0.000 0.267 100 T C 1.450 176.365 174.700 0.357 0.000 1.040 100 T CA 1.852 64.228 62.100 0.460 0.000 1.156 100 T CB -0.659 68.398 68.868 0.316 0.000 0.863 100 T HN 0.424 nan 8.240 nan 0.000 0.430 101 Y N 1.727 122.122 120.300 0.159 0.000 2.097 101 Y HA -0.124 4.426 4.550 -0.000 0.000 0.282 101 Y C 2.115 178.050 175.900 0.059 0.000 1.152 101 Y CA 1.220 59.360 58.100 0.067 0.000 1.136 101 Y CB -0.655 37.792 38.460 -0.020 0.000 0.975 101 Y HN 0.120 nan 8.280 nan 0.000 0.498 102 L N -0.226 120.973 121.223 -0.041 0.000 2.083 102 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 102 L C 2.766 179.615 176.870 -0.035 0.000 1.083 102 L CA 1.116 55.886 54.840 -0.116 0.000 0.752 102 L CB -0.882 41.224 42.059 0.079 0.000 0.899 102 L HN 0.410 nan 8.230 nan 0.000 0.433 103 A N -0.143 122.750 122.820 0.122 0.000 1.902 103 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 103 A C 2.513 180.269 177.584 0.286 0.000 1.181 103 A CA 1.670 53.827 52.037 0.199 0.000 0.623 103 A CB -0.645 18.549 19.000 0.322 0.000 0.818 103 A HN 0.403 nan 8.150 nan 0.000 0.443 104 A N -0.631 122.386 122.820 0.329 0.000 1.898 104 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 104 A C 2.121 179.779 177.584 0.122 0.000 1.181 104 A CA 1.676 53.901 52.037 0.314 0.000 0.620 104 A CB -0.590 18.480 19.000 0.116 0.000 0.819 104 A HN 0.633 nan 8.150 nan 0.000 0.442 105 L N -0.207 120.930 121.223 -0.143 0.000 2.093 105 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 105 L C 2.220 179.043 176.870 -0.078 0.000 1.085 105 L CA 2.550 57.274 54.840 -0.194 0.000 0.755 105 L CB -0.534 41.260 42.059 -0.442 0.000 0.904 105 L HN 0.488 nan 8.230 nan 0.000 0.435 106 E N -0.902 119.265 120.200 -0.054 0.000 2.058 106 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 106 E C 2.056 178.622 176.600 -0.057 0.000 0.997 106 E CA 2.144 58.522 56.400 -0.038 0.000 0.801 106 E CB -0.432 29.256 29.700 -0.021 0.000 0.746 106 E HN 0.473 nan 8.360 nan 0.000 0.450 107 T N 0.655 115.171 114.554 -0.063 0.000 2.708 107 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 107 T C 1.738 176.325 174.700 -0.188 0.000 1.037 107 T CA 1.240 63.224 62.100 -0.192 0.000 1.146 107 T CB -0.390 68.244 68.868 -0.389 0.000 0.865 107 T HN 0.109 nan 8.240 nan 0.000 0.435 108 L N 1.086 122.284 121.223 -0.042 0.000 2.046 108 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 108 L C 2.048 178.907 176.870 -0.018 0.000 1.077 108 L CA 1.846 56.713 54.840 0.045 0.000 0.747 108 L CB -0.360 41.770 42.059 0.119 0.000 0.896 108 L HN 0.103 nan 8.230 nan 0.000 0.432 109 D N -1.770 118.612 120.400 -0.031 0.000 2.240 109 D HA -0.133 4.507 4.640 -0.000 0.000 0.206 109 D C 1.901 178.174 176.300 -0.044 0.000 0.963 109 D CA 0.709 54.694 54.000 -0.026 0.000 0.863 109 D CB 0.052 40.848 40.800 -0.006 0.000 0.973 109 D HN 0.386 nan 8.370 nan 0.000 0.501 110 N N -0.794 117.866 118.700 -0.066 0.000 2.368 110 N HA -0.019 4.721 4.740 -0.000 0.000 0.178 110 N C 1.363 176.794 175.510 -0.131 0.000 1.021 110 N CA 1.640 54.640 53.050 -0.082 0.000 0.875 110 N CB 0.799 39.237 38.487 -0.081 0.000 1.020 110 N HN 0.265 nan 8.380 nan 0.000 0.433 111 G N 1.407 110.114 108.800 -0.155 0.000 2.278 111 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 111 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 111 G C -0.081 174.709 174.900 -0.183 0.000 1.000 111 G CA 0.293 45.281 45.100 -0.187 0.000 0.635 111 G HN 0.661 nan 8.290 nan 0.000 0.495 112 K N 1.306 121.600 120.400 -0.177 0.000 2.440 112 K HA 0.418 4.738 4.320 -0.000 0.000 0.270 112 K C -2.652 173.865 176.600 -0.138 0.000 0.980 112 K CA -0.997 55.193 56.287 -0.162 0.000 0.953 112 K CB 0.319 32.701 32.500 -0.197 0.000 0.925 112 K HN 0.104 nan 8.250 nan 0.000 0.497 113 P HA -0.115 nan 4.420 nan 0.000 0.265 113 P C -0.277 177.006 177.300 -0.028 0.000 1.193 113 P CA -0.040 63.034 63.100 -0.044 0.000 0.765 113 P CB 0.146 31.861 31.700 0.025 0.000 0.823 114 Y N 4.609 124.815 120.300 -0.158 0.000 2.165 114 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 114 Y C 1.814 177.751 175.900 0.063 0.000 1.155 114 Y CA 1.774 59.831 58.100 -0.071 0.000 1.164 114 Y CB -0.930 37.525 38.460 -0.008 0.000 0.978 114 Y HN 0.081 nan 8.280 nan 0.000 0.513 115 V N 0.466 120.326 119.914 -0.089 0.000 2.332 115 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 115 V C 2.388 178.457 176.094 -0.042 0.000 1.055 115 V CA 1.851 64.084 62.300 -0.112 0.000 1.038 115 V CB -0.642 31.202 31.823 0.034 0.000 0.651 115 V HN 0.447 nan 8.190 nan 0.000 0.450 116 I N -0.395 120.187 120.570 0.020 0.000 2.286 116 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 116 I C 2.592 178.743 176.117 0.056 0.000 1.104 116 I CA 1.355 62.713 61.300 0.097 0.000 1.397 116 I CB -1.344 36.755 38.000 0.165 0.000 1.072 116 I HN 0.267 nan 8.210 nan 0.000 0.417 117 S N 0.186 115.878 115.700 -0.013 0.000 2.370 117 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 117 S C 2.022 176.603 174.600 -0.032 0.000 1.033 117 S CA 1.511 59.700 58.200 -0.019 0.000 1.011 117 S CB -0.429 62.761 63.200 -0.018 0.000 0.852 117 S HN 0.444 nan 8.310 nan 0.000 0.457 118 Y N 1.509 121.656 120.300 -0.255 0.000 2.130 118 Y HA 0.074 4.624 4.550 -0.000 0.000 0.287 118 Y C 1.924 177.764 175.900 -0.101 0.000 1.124 118 Y CA 1.350 59.312 58.100 -0.231 0.000 1.118 118 Y CB -0.240 37.940 38.460 -0.468 0.000 0.994 118 Y HN 0.114 nan 8.280 nan 0.000 0.497 119 L N -1.218 120.045 121.223 0.067 0.000 2.313 119 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 119 L C 1.562 178.444 176.870 0.020 0.000 1.119 119 L CA 0.428 55.296 54.840 0.046 0.000 0.809 119 L CB -0.172 41.953 42.059 0.110 0.000 0.933 119 L HN 0.193 nan 8.230 nan 0.000 0.449 120 V N -1.253 118.691 119.914 0.050 0.000 2.939 120 V HA -0.037 4.083 4.120 -0.000 0.000 0.228 120 V C 1.609 177.741 176.094 0.063 0.000 1.162 120 V CA 0.735 63.090 62.300 0.093 0.000 1.222 120 V CB -0.210 31.744 31.823 0.217 0.000 1.053 120 V HN 0.158 nan 8.190 nan 0.000 0.504 121 D N 0.882 121.330 120.400 0.081 0.000 2.103 121 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 121 D C 1.910 178.188 176.300 -0.037 0.000 0.997 121 D CA 1.551 55.573 54.000 0.037 0.000 0.833 121 D CB -0.274 40.556 40.800 0.049 0.000 0.961 121 D HN 0.167 nan 8.370 nan 0.000 0.447 122 L N 0.316 121.499 121.223 -0.066 0.000 2.093 122 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 122 L C 1.830 178.641 176.870 -0.099 0.000 1.085 122 L CA 1.481 56.262 54.840 -0.098 0.000 0.755 122 L CB -0.554 41.408 42.059 -0.160 0.000 0.904 122 L HN 0.011 nan 8.230 nan 0.000 0.435 123 D N -0.930 119.406 120.400 -0.107 0.000 2.117 123 D HA -0.228 4.412 4.640 -0.000 0.000 0.197 123 D C 2.236 178.524 176.300 -0.019 0.000 0.987 123 D CA 1.418 55.376 54.000 -0.069 0.000 0.829 123 D CB 0.050 40.819 40.800 -0.052 0.000 0.961 123 D HN 0.223 nan 8.370 nan 0.000 0.460 124 M N -0.549 119.042 119.600 -0.015 0.000 2.254 124 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 124 M C 2.108 178.405 176.300 -0.006 0.000 1.066 124 M CA 0.478 55.780 55.300 0.004 0.000 1.123 124 M CB 0.127 32.717 32.600 -0.018 0.000 1.388 124 M HN 0.012 nan 8.290 nan 0.000 0.425 125 V N 1.026 120.913 119.914 -0.045 0.000 2.261 125 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 125 V C 2.314 178.428 176.094 0.033 0.000 1.047 125 V CA 1.660 63.940 62.300 -0.034 0.000 1.015 125 V CB -0.610 31.188 31.823 -0.041 0.000 0.642 125 V HN 0.449 nan 8.190 nan 0.000 0.446 126 L N -0.490 120.748 121.223 0.025 0.000 2.012 126 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 126 L C 2.581 179.501 176.870 0.082 0.000 1.073 126 L CA 1.880 56.749 54.840 0.049 0.000 0.748 126 L CB -0.691 41.381 42.059 0.021 0.000 0.891 126 L HN 0.296 nan 8.230 nan 0.000 0.431 127 K N -0.942 119.505 120.400 0.078 0.000 2.148 127 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 127 K C 2.268 178.968 176.600 0.166 0.000 1.050 127 K CA 1.376 57.725 56.287 0.104 0.000 0.942 127 K CB -0.354 32.192 32.500 0.078 0.000 0.724 127 K HN 0.395 nan 8.250 nan 0.000 0.446 128 C N 1.028 120.446 119.300 0.196 0.000 2.476 128 C HA 0.001 4.461 4.460 -0.000 0.000 0.278 128 C C 2.390 177.613 174.990 0.388 0.000 1.274 128 C CA 0.404 59.617 59.018 0.323 0.000 1.713 128 C CB -0.854 27.117 27.740 0.385 0.000 2.039 128 C HN 0.392 nan 8.230 nan 0.000 0.484 129 L N 0.418 121.806 121.223 0.274 0.000 2.046 129 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 129 L C 2.983 179.997 176.870 0.239 0.000 1.077 129 L CA 1.691 56.684 54.840 0.255 0.000 0.747 129 L CB -0.711 41.448 42.059 0.167 0.000 0.896 129 L HN 0.346 nan 8.230 nan 0.000 0.432 130 R N -1.364 119.249 120.500 0.188 0.000 2.148 130 R HA -0.176 4.164 4.340 -0.000 0.000 0.223 130 R C 2.226 178.607 176.300 0.135 0.000 1.088 130 R CA 1.240 57.424 56.100 0.140 0.000 0.985 130 R CB -0.323 30.040 30.300 0.105 0.000 0.880 130 R HN 0.306 nan 8.270 nan 0.000 0.451 131 Y N 0.005 120.328 120.300 0.038 0.000 2.153 131 Y HA -0.211 4.339 4.550 -0.000 0.000 0.289 131 Y C 1.619 177.489 175.900 -0.051 0.000 1.127 131 Y CA 1.359 59.422 58.100 -0.062 0.000 1.131 131 Y CB -0.367 38.020 38.460 -0.122 0.000 0.995 131 Y HN -0.039 nan 8.280 nan 0.000 0.505 132 Y N -0.105 120.327 120.300 0.221 0.000 2.352 132 Y HA -0.159 4.391 4.550 -0.000 0.000 0.292 132 Y C 2.599 178.556 175.900 0.095 0.000 1.136 132 Y CA 0.831 59.034 58.100 0.171 0.000 1.227 132 Y CB -0.498 38.098 38.460 0.227 0.000 0.991 132 Y HN 0.293 nan 8.280 nan 0.000 0.545 133 A N 0.103 123.039 122.820 0.193 0.000 1.902 133 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 133 A C 2.517 180.122 177.584 0.036 0.000 1.181 133 A CA 1.771 53.885 52.037 0.128 0.000 0.623 133 A CB -1.436 17.624 19.000 0.101 0.000 0.818 133 A HN 0.466 nan 8.150 nan 0.000 0.443 134 G N -2.394 106.352 108.800 -0.090 0.000 2.471 134 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 134 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 134 G C 1.333 176.069 174.900 -0.274 0.000 1.125 134 G CA 0.708 45.673 45.100 -0.225 0.000 0.775 134 G HN 0.686 nan 8.290 nan 0.000 0.548 135 W N 0.540 121.730 121.300 -0.183 0.000 2.658 135 W HA 0.303 4.963 4.660 -0.000 0.000 0.263 135 W C 2.745 179.245 176.519 -0.033 0.000 1.274 135 W CA 0.174 57.435 57.345 -0.140 0.000 1.343 135 W CB 0.307 29.679 29.460 -0.147 0.000 1.106 135 W HN 0.248 nan 8.180 nan 0.000 0.615 136 A N 1.231 124.190 122.820 0.232 0.000 1.940 136 A HA -0.308 4.012 4.320 -0.000 0.000 0.221 136 A C 1.318 178.987 177.584 0.143 0.000 1.190 136 A CA 2.517 54.657 52.037 0.171 0.000 0.647 136 A CB -0.868 18.202 19.000 0.116 0.000 0.821 136 A HN 0.378 nan 8.150 nan 0.000 0.457 137 D N -2.412 118.056 120.400 0.112 0.000 2.538 137 D HA 0.205 4.845 4.640 -0.000 0.000 0.231 137 D C 0.539 176.892 176.300 0.088 0.000 1.229 137 D CA -0.015 54.041 54.000 0.094 0.000 0.828 137 D CB 0.031 40.870 40.800 0.065 0.000 1.035 137 D HN 0.475 nan 8.370 nan 0.000 0.495 138 K N -0.534 119.930 120.400 0.108 0.000 2.447 138 K HA 0.062 4.382 4.320 -0.000 0.000 0.205 138 K C -0.489 176.042 176.600 -0.115 0.000 1.059 138 K CA -0.522 55.732 56.287 -0.056 0.000 1.065 138 K CB 0.784 33.247 32.500 -0.063 0.000 0.885 138 K HN -0.021 nan 8.250 nan 0.000 0.545 139 Y N 2.904 123.176 120.300 -0.047 0.000 2.714 139 Y HA 0.149 4.699 4.550 -0.000 0.000 0.333 139 Y C -0.406 175.448 175.900 -0.078 0.000 1.220 139 Y CA -1.388 56.693 58.100 -0.031 0.000 1.513 139 Y CB -0.935 37.554 38.460 0.049 0.000 1.435 139 Y HN 0.092 nan 8.280 nan 0.000 0.489 140 H N 1.184 120.260 119.070 0.009 0.000 2.690 140 H HA 0.450 5.006 4.556 -0.000 0.000 0.365 140 H C 0.877 175.900 175.328 -0.507 0.000 1.142 140 H CA 0.099 56.046 56.048 -0.169 0.000 1.417 140 H CB 0.880 30.607 29.762 -0.058 0.000 1.446 140 H HN 0.718 nan 8.280 nan 0.000 0.599 141 G N 0.496 109.081 108.800 -0.358 0.000 2.531 141 G HA2 0.489 4.449 3.960 -0.000 0.000 0.281 141 G HA3 0.489 4.449 3.960 -0.000 0.000 0.281 141 G C -0.815 173.969 174.900 -0.194 0.000 1.382 141 G CA -0.884 43.888 45.100 -0.546 0.000 1.045 141 G HN 0.550 nan 8.290 nan 0.000 0.533 142 K N -0.840 119.499 120.400 -0.101 0.000 2.443 142 K HA 0.556 4.876 4.320 -0.000 0.000 0.251 142 K C -1.009 175.616 176.600 0.042 0.000 0.972 142 K CA -0.732 55.545 56.287 -0.016 0.000 0.833 142 K CB 2.179 34.677 32.500 -0.004 0.000 1.317 142 K HN 0.594 nan 8.250 nan 0.000 0.441 143 T N -0.886 113.710 114.554 0.071 0.000 2.772 143 T HA 0.554 4.904 4.350 -0.000 0.000 0.288 143 T C -0.065 174.696 174.700 0.102 0.000 0.994 143 T CA -0.730 61.453 62.100 0.138 0.000 0.951 143 T CB -0.102 68.919 68.868 0.256 0.000 0.933 143 T HN 0.377 nan 8.240 nan 0.000 0.447 144 I N 5.589 126.200 120.570 0.068 0.000 2.336 144 I HA 0.330 4.500 4.170 -0.000 0.000 0.292 144 I C -1.718 174.447 176.117 0.080 0.000 0.991 144 I CA -2.708 58.622 61.300 0.051 0.000 1.227 144 I CB 1.989 39.991 38.000 0.004 0.000 1.366 144 I HN 0.482 nan 8.210 nan 0.000 0.466 145 P HA 0.151 nan 4.420 nan 0.000 0.226 145 P C 0.032 177.377 177.300 0.074 0.000 1.783 145 P CA 0.071 63.223 63.100 0.087 0.000 0.980 145 P CB 0.126 31.867 31.700 0.067 0.000 1.967 146 I N 1.077 121.693 120.570 0.078 0.000 2.938 146 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 146 I C 0.323 176.501 176.117 0.103 0.000 1.182 146 I CA -0.070 61.265 61.300 0.059 0.000 1.388 146 I CB 0.632 38.644 38.000 0.020 0.000 1.390 146 I HN 0.045 nan 8.210 nan 0.000 0.600 147 D N 4.861 125.309 120.400 0.081 0.000 2.399 147 D HA 0.405 5.045 4.640 -0.000 0.000 0.241 147 D C 0.355 176.794 176.300 0.232 0.000 1.133 147 D CA 1.142 55.209 54.000 0.112 0.000 0.890 147 D CB 0.884 41.726 40.800 0.071 0.000 1.201 147 D HN 0.937 nan 8.370 nan 0.000 0.432 148 G N 1.818 110.750 108.800 0.221 0.000 2.757 148 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.638 148 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.638 148 G C -0.794 174.194 174.900 0.148 0.000 1.344 148 G CA -0.798 44.467 45.100 0.276 0.000 0.855 148 G HN 0.499 nan 8.290 nan 0.000 0.537 149 D N 0.966 121.219 120.400 -0.246 0.000 2.551 149 D HA 0.482 5.122 4.640 -0.000 0.000 0.223 149 D C -0.088 175.765 176.300 -0.744 0.000 1.144 149 D CA 1.056 54.819 54.000 -0.394 0.000 1.025 149 D CB -0.505 40.071 40.800 -0.373 0.000 1.085 149 D HN 0.289 nan 8.370 nan 0.000 0.506 150 F N 0.492 120.486 119.950 0.074 0.000 2.613 150 F HA 0.392 4.919 4.527 -0.000 0.000 0.310 150 F C -0.515 175.397 175.800 0.187 0.000 1.085 150 F CA -1.439 56.621 58.000 0.099 0.000 0.945 150 F CB 1.620 40.649 39.000 0.049 0.000 1.298 150 F HN -0.129 nan 8.300 nan 0.000 0.455 151 F N 2.103 122.191 119.950 0.230 0.000 2.427 151 F HA 0.689 5.216 4.527 -0.000 0.000 0.348 151 F C -0.640 175.268 175.800 0.180 0.000 1.125 151 F CA -1.005 57.100 58.000 0.176 0.000 0.989 151 F CB 1.231 40.324 39.000 0.155 0.000 1.165 151 F HN 0.294 nan 8.300 nan 0.000 0.442 152 S N 6.507 122.104 115.700 -0.171 0.000 2.513 152 S HA 0.837 5.307 4.470 -0.000 0.000 0.299 152 S C -1.480 172.894 174.600 -0.377 0.000 1.087 152 S CA -0.263 57.736 58.200 -0.334 0.000 1.012 152 S CB 0.833 63.940 63.200 -0.155 0.000 1.044 152 S HN 0.718 nan 8.310 nan 0.000 0.485 153 Y N -0.097 119.933 120.300 -0.451 0.000 2.656 153 Y HA 0.756 5.306 4.550 -0.000 0.000 0.334 153 Y C -0.620 175.158 175.900 -0.204 0.000 1.179 153 Y CA -0.971 56.931 58.100 -0.330 0.000 1.050 153 Y CB 0.785 38.989 38.460 -0.427 0.000 1.308 153 Y HN 0.600 nan 8.280 nan 0.000 0.456 154 T N -0.241 114.343 114.554 0.051 0.000 2.924 154 T HA 0.808 5.158 4.350 -0.000 0.000 0.291 154 T C -1.012 173.720 174.700 0.054 0.000 1.045 154 T CA -1.016 61.079 62.100 -0.008 0.000 1.015 154 T CB 2.235 71.092 68.868 -0.019 0.000 1.103 154 T HN 0.874 nan 8.240 nan 0.000 0.496 155 R N 0.267 120.792 120.500 0.042 0.000 2.628 155 R HA 0.366 4.706 4.340 -0.000 0.000 0.288 155 R C -0.913 175.450 176.300 0.105 0.000 0.980 155 R CA -0.716 55.406 56.100 0.036 0.000 0.891 155 R CB 1.566 31.928 30.300 0.103 0.000 1.188 155 R HN 0.783 nan 8.270 nan 0.000 0.450 156 H N 1.977 121.045 119.070 -0.003 0.000 2.741 156 H HA 0.152 4.708 4.556 -0.000 0.000 0.282 156 H C -0.396 174.976 175.328 0.074 0.000 1.122 156 H CA -0.441 55.610 56.048 0.005 0.000 1.293 156 H CB 1.035 30.745 29.762 -0.086 0.000 1.415 156 H HN 0.326 nan 8.280 nan 0.000 0.472 157 E N 4.327 124.648 120.200 0.202 0.000 2.250 157 E HA 0.224 4.574 4.350 -0.000 0.000 0.269 157 E C -2.413 174.312 176.600 0.208 0.000 1.018 157 E CA -2.265 54.241 56.400 0.178 0.000 0.873 157 E CB 1.030 30.820 29.700 0.150 0.000 1.134 157 E HN 0.384 nan 8.360 nan 0.000 0.403 158 P HA -0.031 nan 4.420 nan 0.000 0.274 158 P C 0.454 177.899 177.300 0.243 0.000 1.231 158 P CA -0.104 63.173 63.100 0.293 0.000 0.790 158 P CB 0.712 32.690 31.700 0.462 0.000 0.951 159 V N 0.830 120.819 119.914 0.126 0.000 2.453 159 V HA 0.083 4.203 4.120 -0.000 0.000 0.247 159 V C 1.430 177.437 176.094 -0.144 0.000 1.048 159 V CA 2.486 64.798 62.300 0.019 0.000 1.049 159 V CB -1.313 30.500 31.823 -0.018 0.000 0.672 159 V HN 1.028 nan 8.190 nan 0.000 0.457 160 G N -0.783 107.780 108.800 -0.395 0.000 2.254 160 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.193 160 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.193 160 G C -0.537 173.952 174.900 -0.684 0.000 1.233 160 G CA -0.240 44.175 45.100 -1.142 0.000 1.290 160 G HN 0.203 nan 8.290 nan 0.000 0.517 161 V N 1.185 120.827 119.914 -0.454 0.000 2.427 161 V HA 0.431 4.551 4.120 -0.000 0.000 0.268 161 V C 0.313 176.330 176.094 -0.128 0.000 1.046 161 V CA -0.224 61.936 62.300 -0.233 0.000 0.970 161 V CB 0.457 32.169 31.823 -0.185 0.000 1.001 161 V HN 0.807 nan 8.190 nan 0.000 0.476 162 C N 4.932 124.199 119.300 -0.056 0.000 2.264 162 C HA 0.669 5.129 4.460 -0.000 0.000 0.324 162 C C 1.077 176.081 174.990 0.023 0.000 1.267 162 C CA -0.956 58.074 59.018 0.020 0.000 1.618 162 C CB 0.238 28.074 27.740 0.160 0.000 2.278 162 C HN 1.018 nan 8.230 nan 0.000 0.499 163 G N 3.082 111.893 108.800 0.018 0.000 2.355 163 G HA2 0.496 4.456 3.960 -0.000 0.000 0.276 163 G HA3 0.496 4.456 3.960 -0.000 0.000 0.276 163 G C -0.722 174.217 174.900 0.066 0.000 1.198 163 G CA -0.084 45.035 45.100 0.032 0.000 0.876 163 G HN 0.813 nan 8.290 nan 0.000 0.478 164 Q N 1.644 121.485 119.800 0.069 0.000 2.290 164 Q HA 0.369 4.709 4.340 -0.000 0.000 0.269 164 Q C -0.771 175.281 176.000 0.086 0.000 1.016 164 Q CA -0.413 55.440 55.803 0.083 0.000 0.754 164 Q CB 2.578 31.357 28.738 0.070 0.000 1.247 164 Q HN 0.543 nan 8.270 nan 0.000 0.451 165 I N 4.801 125.441 120.570 0.117 0.000 2.330 165 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 165 I C -0.006 176.135 176.117 0.040 0.000 1.001 165 I CA -0.797 60.586 61.300 0.138 0.000 1.193 165 I CB 0.729 38.918 38.000 0.315 0.000 1.345 165 I HN 0.522 nan 8.210 nan 0.000 0.461 166 I N 5.752 126.333 120.570 0.017 0.000 2.493 166 I HA 0.700 4.870 4.170 -0.000 0.000 0.298 166 I C -2.526 173.543 176.117 -0.079 0.000 0.998 166 I CA -2.207 59.062 61.300 -0.052 0.000 1.137 166 I CB 1.928 39.913 38.000 -0.024 0.000 1.310 166 I HN 0.247 nan 8.210 nan 0.000 0.445 167 P HA 0.089 nan 4.420 nan 0.000 0.289 167 P C -0.019 177.132 177.300 -0.248 0.000 1.299 167 P CA -0.148 62.753 63.100 -0.332 0.000 0.766 167 P CB 0.505 31.868 31.700 -0.561 0.000 1.226 168 W N 0.364 121.606 121.300 -0.097 0.000 3.114 168 W HA 0.028 4.688 4.660 -0.000 0.000 0.279 168 W C 1.013 177.422 176.519 -0.183 0.000 1.277 168 W CA 0.190 57.469 57.345 -0.109 0.000 1.630 168 W CB -1.584 27.819 29.460 -0.095 0.000 1.087 168 W HN 0.215 nan 8.180 nan 0.000 0.637 169 N N 2.364 120.776 118.700 -0.480 0.000 2.120 169 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 169 N C -0.100 175.010 175.510 -0.665 0.000 1.024 169 N CA 1.070 53.831 53.050 -0.482 0.000 0.852 169 N CB -1.210 36.870 38.487 -0.678 0.000 1.003 169 N HN 0.104 nan 8.380 nan 0.000 0.424 170 F N -0.273 119.547 119.950 -0.218 0.000 2.769 170 F HA 0.437 4.964 4.527 -0.000 0.000 0.358 170 F C -1.817 173.859 175.800 -0.207 0.000 1.285 170 F CA -2.160 55.705 58.000 -0.224 0.000 1.199 170 F CB 2.132 40.931 39.000 -0.335 0.000 1.558 170 F HN -0.163 nan 8.300 nan 0.000 0.583 171 P HA -0.220 nan 4.420 nan 0.000 0.213 171 P C 1.943 179.223 177.300 -0.035 0.000 1.176 171 P CA 1.717 64.810 63.100 -0.011 0.000 0.919 171 P CB 0.412 32.119 31.700 0.011 0.000 0.791 172 L N -1.926 119.274 121.223 -0.038 0.000 2.017 172 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 172 L C 2.486 179.272 176.870 -0.139 0.000 1.073 172 L CA 1.080 55.886 54.840 -0.056 0.000 0.745 172 L CB -1.072 40.967 42.059 -0.033 0.000 0.894 172 L HN -0.008 nan 8.230 nan 0.000 0.432 173 L N -0.780 120.309 121.223 -0.223 0.000 2.046 173 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 173 L C 2.492 178.963 176.870 -0.665 0.000 1.077 173 L CA 1.844 56.371 54.840 -0.522 0.000 0.747 173 L CB -0.459 41.177 42.059 -0.705 0.000 0.896 173 L HN 0.174 nan 8.230 nan 0.000 0.432 174 M N -0.804 118.544 119.600 -0.420 0.000 2.159 174 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 174 M C 2.256 178.513 176.300 -0.073 0.000 1.063 174 M CA 1.648 56.824 55.300 -0.206 0.000 1.110 174 M CB -1.261 31.283 32.600 -0.094 0.000 1.374 174 M HN 0.530 nan 8.290 nan 0.000 0.411 175 Q N -0.245 119.501 119.800 -0.090 0.000 2.020 175 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 175 Q C 2.013 177.989 176.000 -0.040 0.000 0.982 175 Q CA 2.131 57.905 55.803 -0.049 0.000 0.838 175 Q CB -0.080 28.628 28.738 -0.049 0.000 0.899 175 Q HN 0.465 nan 8.270 nan 0.000 0.423 176 A N 0.149 122.930 122.820 -0.066 0.000 1.908 176 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 176 A C 1.633 179.293 177.584 0.127 0.000 1.181 176 A CA 1.335 53.370 52.037 -0.004 0.000 0.627 176 A CB -1.157 17.822 19.000 -0.034 0.000 0.818 176 A HN 0.670 nan 8.150 nan 0.000 0.445 177 W N 0.305 121.591 121.300 -0.023 0.000 2.392 177 W HA -0.029 4.631 4.660 -0.000 0.000 0.279 177 W C 1.955 178.420 176.519 -0.090 0.000 1.225 177 W CA 1.247 58.579 57.345 -0.020 0.000 1.233 177 W CB -0.261 29.177 29.460 -0.036 0.000 1.122 177 W HN 0.277 nan 8.180 nan 0.000 0.561 178 K N -0.299 120.173 120.400 0.121 0.000 2.099 178 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 178 K C 2.082 178.586 176.600 -0.160 0.000 1.047 178 K CA 0.615 56.902 56.287 0.001 0.000 0.963 178 K CB -0.892 31.630 32.500 0.037 0.000 0.759 178 K HN 0.205 nan 8.250 nan 0.000 0.451 179 L N 0.401 121.550 121.223 -0.124 0.000 2.056 179 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 179 L C 2.476 179.228 176.870 -0.196 0.000 1.078 179 L CA 1.304 56.042 54.840 -0.170 0.000 0.749 179 L CB -1.079 40.893 42.059 -0.144 0.000 0.901 179 L HN 0.248 nan 8.230 nan 0.000 0.433 180 G N 1.452 110.157 108.800 -0.158 0.000 2.628 180 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 180 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 180 G C -0.486 174.085 174.900 -0.547 0.000 1.240 180 G CA 1.197 46.193 45.100 -0.174 0.000 0.792 180 G HN 0.312 nan 8.290 nan 0.000 0.593 181 P HA 0.021 nan 4.420 nan 0.000 0.219 181 P C 1.998 178.873 177.300 -0.708 0.000 1.150 181 P CA 1.923 64.428 63.100 -0.991 0.000 0.814 181 P CB -0.111 31.009 31.700 -0.967 0.000 0.787 182 A N 0.451 122.731 122.820 -0.899 0.000 1.877 182 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 182 A C 2.443 179.934 177.584 -0.155 0.000 1.186 182 A CA 1.438 53.025 52.037 -0.750 0.000 0.620 182 A CB -1.547 17.075 19.000 -0.630 0.000 0.822 182 A HN 0.129 nan 8.150 nan 0.000 0.443 183 L N -1.001 120.192 121.223 -0.049 0.000 2.095 183 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 183 L C 3.013 180.078 176.870 0.325 0.000 1.080 183 L CA 0.824 55.830 54.840 0.277 0.000 0.759 183 L CB -0.571 41.627 42.059 0.233 0.000 0.914 183 L HN 0.398 nan 8.230 nan 0.000 0.439 184 A N 0.256 123.172 122.820 0.160 0.000 2.024 184 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 184 A C 2.197 179.860 177.584 0.132 0.000 1.164 184 A CA 2.166 54.307 52.037 0.173 0.000 0.643 184 A CB -0.819 18.308 19.000 0.212 0.000 0.806 184 A HN 0.528 nan 8.150 nan 0.000 0.451 185 T N -4.930 109.684 114.554 0.101 0.000 3.086 185 T HA 0.437 4.787 4.350 -0.000 0.000 0.250 185 T C 1.225 176.016 174.700 0.151 0.000 1.074 185 T CA 0.940 63.115 62.100 0.125 0.000 0.988 185 T CB 0.248 69.188 68.868 0.119 0.000 0.988 185 T HN 1.651 nan 8.240 nan 0.000 0.530 186 G N 1.638 110.543 108.800 0.174 0.000 2.132 186 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.234 186 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.234 186 G C -0.056 175.171 174.900 0.546 0.000 0.989 186 G CA -0.271 44.923 45.100 0.156 0.000 0.676 186 G HN 0.583 nan 8.290 nan 0.000 0.522 187 N N -0.552 118.448 118.700 0.500 0.000 2.413 187 N HA 0.609 5.349 4.740 -0.000 0.000 0.266 187 N C 0.474 176.238 175.510 0.424 0.000 1.238 187 N CA 0.423 53.718 53.050 0.407 0.000 0.972 187 N CB 1.839 40.450 38.487 0.208 0.000 1.210 187 N HN 0.689 nan 8.380 nan 0.000 0.547 188 V N -2.124 117.894 119.914 0.174 0.000 2.815 188 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 188 V C -0.137 175.941 176.094 -0.028 0.000 1.064 188 V CA -0.732 61.593 62.300 0.042 0.000 0.952 188 V CB 1.668 33.529 31.823 0.063 0.000 1.020 188 V HN 0.249 nan 8.190 nan 0.000 0.439 189 V N 2.717 122.591 119.914 -0.067 0.000 2.735 189 V HA 0.604 4.724 4.120 -0.000 0.000 0.310 189 V C -0.539 175.527 176.094 -0.047 0.000 1.061 189 V CA -0.513 61.755 62.300 -0.053 0.000 0.913 189 V CB 2.209 33.988 31.823 -0.073 0.000 1.005 189 V HN 0.802 nan 8.190 nan 0.000 0.428 190 V N 5.317 125.214 119.914 -0.027 0.000 2.357 190 V HA 0.447 4.567 4.120 -0.000 0.000 0.281 190 V C -0.199 175.902 176.094 0.011 0.000 1.015 190 V CA -0.230 62.061 62.300 -0.014 0.000 0.827 190 V CB 1.327 33.132 31.823 -0.030 0.000 1.018 190 V HN 0.892 nan 8.190 nan 0.000 0.432 191 M N 4.819 124.431 119.600 0.019 0.000 2.300 191 M HA 0.574 5.054 4.480 -0.000 0.000 0.348 191 M C -0.587 175.747 176.300 0.057 0.000 1.151 191 M CA -0.474 54.845 55.300 0.033 0.000 1.046 191 M CB 1.272 33.878 32.600 0.010 0.000 1.647 191 M HN 0.355 nan 8.290 nan 0.000 0.451 192 K N 5.109 125.552 120.400 0.071 0.000 2.339 192 K HA 0.423 4.743 4.320 -0.000 0.000 0.264 192 K C -1.263 175.392 176.600 0.092 0.000 0.986 192 K CA -0.376 55.964 56.287 0.089 0.000 0.866 192 K CB 1.034 33.594 32.500 0.100 0.000 1.103 192 K HN 0.679 nan 8.250 nan 0.000 0.441 193 V N 0.727 120.702 119.914 0.102 0.000 2.837 193 V HA 0.709 4.829 4.120 -0.000 0.000 0.310 193 V C 0.331 176.501 176.094 0.128 0.000 1.059 193 V CA -1.144 61.220 62.300 0.106 0.000 1.004 193 V CB 1.268 33.159 31.823 0.113 0.000 1.045 193 V HN 0.718 nan 8.190 nan 0.000 0.465 194 A N 2.445 125.348 122.820 0.138 0.000 2.477 194 A HA 0.285 4.605 4.320 -0.000 0.000 0.246 194 A C 1.233 178.922 177.584 0.175 0.000 1.078 194 A CA 0.344 52.490 52.037 0.181 0.000 0.770 194 A CB -0.167 18.991 19.000 0.263 0.000 1.011 194 A HN 1.170 nan 8.150 nan 0.000 0.494 195 E N 1.803 122.070 120.200 0.111 0.000 2.209 195 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 195 E C 1.065 177.758 176.600 0.156 0.000 0.993 195 E CA 1.685 58.090 56.400 0.008 0.000 0.819 195 E CB -0.205 29.390 29.700 -0.176 0.000 0.745 195 E HN 0.813 nan 8.360 nan 0.000 0.477 196 Q N 0.673 120.542 119.800 0.115 0.000 2.245 196 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 196 Q C 0.576 176.632 176.000 0.093 0.000 0.955 196 Q CA 1.632 57.462 55.803 0.045 0.000 0.870 196 Q CB 0.636 29.278 28.738 -0.160 0.000 0.945 196 Q HN 0.447 nan 8.270 nan 0.000 0.461 197 T N -3.483 111.163 114.554 0.153 0.000 3.583 197 T HA 0.294 4.644 4.350 -0.000 0.000 0.266 197 T C -2.504 172.279 174.700 0.137 0.000 1.296 197 T CA -1.303 60.873 62.100 0.126 0.000 1.668 197 T CB 1.194 70.135 68.868 0.122 0.000 0.832 197 T HN -0.054 nan 8.240 nan 0.000 0.649 198 P HA 0.221 nan 4.420 nan 0.000 0.238 198 P C 1.675 179.048 177.300 0.122 0.000 1.183 198 P CA -0.138 63.061 63.100 0.165 0.000 0.813 198 P CB 0.371 32.220 31.700 0.247 0.000 0.944 199 L N 0.660 121.937 121.223 0.089 0.000 1.971 199 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 199 L C 2.815 179.752 176.870 0.112 0.000 1.072 199 L CA 2.945 57.829 54.840 0.074 0.000 0.758 199 L CB -2.321 39.756 42.059 0.030 0.000 0.889 199 L HN 0.109 nan 8.230 nan 0.000 0.433 200 T N -1.927 112.678 114.554 0.085 0.000 2.720 200 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 200 T C 1.953 176.739 174.700 0.143 0.000 1.037 200 T CA 1.139 63.303 62.100 0.107 0.000 1.144 200 T CB -0.555 68.342 68.868 0.050 0.000 0.864 200 T HN 0.360 nan 8.240 nan 0.000 0.444 201 A N 1.662 124.543 122.820 0.102 0.000 1.933 201 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 201 A C 2.494 180.132 177.584 0.090 0.000 1.175 201 A CA 1.358 53.438 52.037 0.073 0.000 0.628 201 A CB -0.890 18.146 19.000 0.060 0.000 0.814 201 A HN 0.554 nan 8.150 nan 0.000 0.444 202 L N -2.362 118.957 121.223 0.160 0.000 2.056 202 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 202 L C 2.592 179.627 176.870 0.276 0.000 1.078 202 L CA 1.718 56.713 54.840 0.258 0.000 0.749 202 L CB -0.610 41.593 42.059 0.240 0.000 0.901 202 L HN 0.593 nan 8.230 nan 0.000 0.433 203 Y N -0.015 120.370 120.300 0.142 0.000 2.293 203 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 203 Y C 2.356 178.327 175.900 0.118 0.000 1.137 203 Y CA 1.166 59.368 58.100 0.171 0.000 1.202 203 Y CB -0.046 38.571 38.460 0.261 0.000 0.990 203 Y HN -0.175 nan 8.280 nan 0.000 0.537 204 V N 0.142 120.129 119.914 0.121 0.000 2.427 204 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 204 V C 2.588 178.565 176.094 -0.196 0.000 1.051 204 V CA 1.584 63.880 62.300 -0.008 0.000 1.048 204 V CB -1.268 30.567 31.823 0.019 0.000 0.666 204 V HN 0.570 nan 8.190 nan 0.000 0.456 205 A N 0.161 122.803 122.820 -0.298 0.000 1.940 205 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 205 A C 2.028 179.204 177.584 -0.681 0.000 1.176 205 A CA 2.366 53.929 52.037 -0.790 0.000 0.631 205 A CB -0.829 17.384 19.000 -1.312 0.000 0.814 205 A HN 0.611 nan 8.150 nan 0.000 0.446 206 N N -0.225 118.322 118.700 -0.256 0.000 2.166 206 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 206 N C 1.517 176.936 175.510 -0.151 0.000 1.019 206 N CA 1.395 54.402 53.050 -0.071 0.000 0.856 206 N CB -0.303 38.085 38.487 -0.165 0.000 0.993 206 N HN 0.502 nan 8.380 nan 0.000 0.426 207 L N -0.139 120.949 121.223 -0.225 0.000 2.156 207 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 207 L C 1.948 178.805 176.870 -0.021 0.000 1.095 207 L CA 0.537 55.311 54.840 -0.110 0.000 0.770 207 L CB -0.297 41.722 42.059 -0.067 0.000 0.914 207 L HN 0.239 nan 8.230 nan 0.000 0.439 208 I N 0.220 120.739 120.570 -0.084 0.000 2.226 208 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 208 I C 2.728 178.936 176.117 0.151 0.000 1.100 208 I CA 1.391 62.678 61.300 -0.022 0.000 1.374 208 I CB -0.266 37.568 38.000 -0.277 0.000 1.057 208 I HN 0.277 nan 8.210 nan 0.000 0.413 209 K N 1.334 121.796 120.400 0.103 0.000 2.025 209 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 209 K C 2.109 178.776 176.600 0.111 0.000 1.049 209 K CA 1.787 58.170 56.287 0.161 0.000 0.933 209 K CB -0.159 32.460 32.500 0.198 0.000 0.714 209 K HN 0.233 nan 8.250 nan 0.000 0.438 210 E N -0.142 120.100 120.200 0.070 0.000 2.153 210 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 210 E C 1.671 178.308 176.600 0.062 0.000 0.988 210 E CA 0.964 57.392 56.400 0.048 0.000 0.811 210 E CB -0.103 29.604 29.700 0.012 0.000 0.746 210 E HN 0.476 nan 8.360 nan 0.000 0.466 211 A N 0.031 122.913 122.820 0.104 0.000 1.969 211 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 211 A C 1.912 179.509 177.584 0.021 0.000 1.169 211 A CA 1.522 53.620 52.037 0.102 0.000 0.635 211 A CB -0.397 18.748 19.000 0.241 0.000 0.810 211 A HN 0.524 nan 8.150 nan 0.000 0.445 212 G N -3.050 105.786 108.800 0.060 0.000 2.175 212 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.182 212 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.182 212 G C -0.044 174.840 174.900 -0.026 0.000 1.003 212 G CA -0.244 44.857 45.100 0.002 0.000 0.666 212 G HN 0.258 nan 8.290 nan 0.000 0.506 213 F N 1.738 121.687 119.950 -0.002 0.000 2.529 213 F HA 0.417 4.944 4.527 -0.000 0.000 0.365 213 F C -1.184 174.584 175.800 -0.054 0.000 1.102 213 F CA -1.421 56.543 58.000 -0.060 0.000 1.271 213 F CB 0.469 39.367 39.000 -0.170 0.000 1.120 213 F HN -0.102 nan 8.300 nan 0.000 0.579 214 P HA 0.046 nan 4.420 nan 0.000 0.267 214 P C -2.531 174.775 177.300 0.011 0.000 1.200 214 P CA -0.799 62.347 63.100 0.077 0.000 0.772 214 P CB 0.056 31.840 31.700 0.139 0.000 0.855 215 P HA 0.045 nan 4.420 nan 0.000 0.265 215 P C 0.994 178.253 177.300 -0.068 0.000 1.193 215 P CA 1.320 64.385 63.100 -0.058 0.000 0.765 215 P CB 0.133 31.797 31.700 -0.059 0.000 0.823 216 G N 1.274 110.011 108.800 -0.106 0.000 2.225 216 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.254 216 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.254 216 G C 1.022 175.856 174.900 -0.111 0.000 0.988 216 G CA 0.260 45.305 45.100 -0.091 0.000 0.625 216 G HN 0.400 nan 8.290 nan 0.000 0.527 217 V N -0.196 119.603 119.914 -0.191 0.000 2.427 217 V HA 0.094 4.214 4.120 -0.000 0.000 0.248 217 V C 1.402 177.327 176.094 -0.282 0.000 1.051 217 V CA 1.971 64.044 62.300 -0.377 0.000 1.048 217 V CB 0.135 31.505 31.823 -0.755 0.000 0.666 217 V HN 0.398 nan 8.190 nan 0.000 0.456 218 V N 1.589 121.388 119.914 -0.193 0.000 2.525 218 V HA 0.471 4.591 4.120 -0.000 0.000 0.299 218 V C -0.883 175.239 176.094 0.046 0.000 1.034 218 V CA -0.758 61.463 62.300 -0.131 0.000 0.863 218 V CB 1.796 33.472 31.823 -0.243 0.000 0.999 218 V HN 0.424 nan 8.190 nan 0.000 0.423 219 N N 5.486 124.206 118.700 0.034 0.000 2.296 219 N HA 0.638 5.377 4.740 -0.000 0.000 0.294 219 N C -1.180 174.387 175.510 0.096 0.000 1.033 219 N CA -0.387 52.723 53.050 0.100 0.000 0.839 219 N CB 3.017 41.506 38.487 0.003 0.000 1.395 219 N HN 0.491 nan 8.380 nan 0.000 0.479 220 I N 1.519 122.188 120.570 0.165 0.000 2.406 220 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 220 I C -0.420 175.787 176.117 0.150 0.000 0.999 220 I CA -0.978 60.394 61.300 0.120 0.000 1.124 220 I CB 2.064 40.117 38.000 0.087 0.000 1.289 220 I HN 0.039 nan 8.210 nan 0.000 0.441 221 V N 7.937 127.923 119.914 0.120 0.000 2.305 221 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 221 V C -2.111 174.061 176.094 0.131 0.000 1.020 221 V CA -1.526 60.848 62.300 0.123 0.000 0.811 221 V CB 1.222 33.097 31.823 0.087 0.000 1.031 221 V HN 0.573 nan 8.190 nan 0.000 0.439 222 P HA 0.595 nan 4.420 nan 0.000 0.274 222 P C 0.209 177.617 177.300 0.180 0.000 1.231 222 P CA 0.490 63.717 63.100 0.211 0.000 0.790 222 P CB 2.266 34.127 31.700 0.269 0.000 0.951 223 G N 0.637 109.474 108.800 0.062 0.000 2.404 223 G HA2 0.268 4.228 3.960 -0.000 0.000 0.253 223 G HA3 0.268 4.228 3.960 -0.000 0.000 0.253 223 G C -1.701 172.922 174.900 -0.461 0.000 1.253 223 G CA -0.782 44.137 45.100 -0.301 0.000 0.917 223 G HN 0.339 nan 8.290 nan 0.000 0.480 224 F N 0.709 120.586 119.950 -0.121 0.000 2.440 224 F HA 0.543 5.070 4.527 -0.000 0.000 0.328 224 F C 1.724 177.504 175.800 -0.034 0.000 1.070 224 F CA -0.261 57.667 58.000 -0.120 0.000 1.011 224 F CB 2.090 41.022 39.000 -0.115 0.000 1.226 224 F HN 0.672 nan 8.300 nan 0.000 0.491 225 G N 0.928 109.847 108.800 0.199 0.000 2.453 225 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 225 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 225 G C -0.999 173.947 174.900 0.076 0.000 1.201 225 G CA 0.670 45.840 45.100 0.118 0.000 0.784 225 G HN 0.449 nan 8.290 nan 0.000 0.545 226 P HA -0.039 nan 4.420 nan 0.000 0.221 226 P C 1.849 179.181 177.300 0.053 0.000 1.145 226 P CA 2.048 65.167 63.100 0.032 0.000 0.795 226 P CB -0.003 31.704 31.700 0.012 0.000 0.775 227 T N -3.787 110.826 114.554 0.099 0.000 3.535 227 T HA 0.292 4.642 4.350 -0.000 0.000 0.223 227 T C 1.950 176.694 174.700 0.074 0.000 0.933 227 T CA 0.564 62.721 62.100 0.095 0.000 1.445 227 T CB -1.164 67.790 68.868 0.145 0.000 1.286 227 T HN -0.101 nan 8.240 nan 0.000 0.436 228 A N 1.838 124.704 122.820 0.078 0.000 1.865 228 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 228 A C 2.668 180.293 177.584 0.068 0.000 1.191 228 A CA 2.183 54.259 52.037 0.065 0.000 0.623 228 A CB -1.825 17.207 19.000 0.053 0.000 0.826 228 A HN 0.733 nan 8.150 nan 0.000 0.444 229 G N -0.596 108.248 108.800 0.075 0.000 2.446 229 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 229 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 229 G C 1.765 176.687 174.900 0.037 0.000 1.168 229 G CA 1.694 46.836 45.100 0.070 0.000 0.771 229 G HN 0.886 nan 8.290 nan 0.000 0.551 230 A N 1.014 123.846 122.820 0.021 0.000 1.930 230 A HA 0.310 4.630 4.320 -0.000 0.000 0.217 230 A C 2.804 180.400 177.584 0.020 0.000 1.175 230 A CA 2.127 54.164 52.037 0.001 0.000 0.627 230 A CB -0.698 18.299 19.000 -0.005 0.000 0.815 230 A HN 0.806 nan 8.150 nan 0.000 0.443 231 A N 0.155 122.999 122.820 0.039 0.000 1.902 231 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 231 A C 2.111 179.749 177.584 0.090 0.000 1.181 231 A CA 1.560 53.630 52.037 0.054 0.000 0.623 231 A CB -0.592 18.446 19.000 0.063 0.000 0.818 231 A HN 0.510 nan 8.150 nan 0.000 0.443 232 I N -0.362 120.258 120.570 0.083 0.000 2.179 232 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 232 I C 2.920 179.084 176.117 0.077 0.000 1.088 232 I CA 1.145 62.496 61.300 0.085 0.000 1.357 232 I CB -0.386 37.653 38.000 0.066 0.000 1.051 232 I HN 0.352 nan 8.210 nan 0.000 0.409 233 A N -0.157 122.692 122.820 0.049 0.000 2.015 233 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 233 A C 2.379 179.981 177.584 0.029 0.000 1.163 233 A CA 1.848 53.902 52.037 0.028 0.000 0.646 233 A CB -0.397 18.598 19.000 -0.007 0.000 0.806 233 A HN 0.405 nan 8.150 nan 0.000 0.448 234 S N -1.156 114.566 115.700 0.036 0.000 2.486 234 S HA 0.047 4.517 4.470 -0.000 0.000 0.220 234 S C 0.793 175.415 174.600 0.037 0.000 1.011 234 S CA -0.481 57.730 58.200 0.020 0.000 0.921 234 S CB -0.267 62.930 63.200 -0.005 0.000 0.785 234 S HN 0.689 nan 8.310 nan 0.000 0.517 235 H N 2.621 121.688 119.070 -0.005 0.000 3.094 235 H HA 0.029 4.585 4.556 -0.000 0.000 0.320 235 H C 0.682 176.006 175.328 -0.006 0.000 1.000 235 H CA 0.693 56.739 56.048 -0.004 0.000 1.413 235 H CB 0.540 30.300 29.762 -0.002 0.000 1.405 235 H HN 0.199 nan 8.280 nan 0.000 0.586 236 E N 2.619 122.919 120.200 0.167 0.000 2.347 236 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 236 E C 0.998 177.725 176.600 0.211 0.000 1.008 236 E CA 1.012 57.499 56.400 0.145 0.000 0.852 236 E CB 0.250 29.975 29.700 0.041 0.000 0.783 236 E HN 0.568 nan 8.360 nan 0.000 0.505 237 D N -0.728 119.913 120.400 0.402 0.000 2.369 237 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 237 D C -0.713 175.556 176.300 -0.051 0.000 1.077 237 D CA 0.012 54.073 54.000 0.101 0.000 0.842 237 D CB 0.620 41.452 40.800 0.053 0.000 0.947 237 D HN -0.144 nan 8.370 nan 0.000 0.509 238 V N 1.717 121.614 119.914 -0.029 0.000 2.432 238 V HA 0.097 4.217 4.120 -0.000 0.000 0.271 238 V C 0.924 176.994 176.094 -0.039 0.000 1.046 238 V CA -0.251 62.008 62.300 -0.069 0.000 0.945 238 V CB 1.623 33.424 31.823 -0.036 0.000 0.992 238 V HN 0.099 nan 8.190 nan 0.000 0.471 239 D N 3.387 123.744 120.400 -0.072 0.000 2.249 239 D HA 0.033 4.673 4.640 -0.000 0.000 0.205 239 D C 0.743 177.007 176.300 -0.061 0.000 0.962 239 D CA 0.859 54.820 54.000 -0.066 0.000 0.860 239 D CB 0.758 41.497 40.800 -0.102 0.000 0.955 239 D HN 0.503 nan 8.370 nan 0.000 0.505 240 K N 0.579 120.943 120.400 -0.061 0.000 2.543 240 K HA 0.351 4.671 4.320 -0.000 0.000 0.255 240 K C -2.061 174.517 176.600 -0.035 0.000 0.934 240 K CA -0.563 55.684 56.287 -0.067 0.000 0.810 240 K CB 3.043 35.469 32.500 -0.122 0.000 1.315 240 K HN -0.190 nan 8.250 nan 0.000 0.433 241 V N 2.880 122.780 119.914 -0.023 0.000 2.487 241 V HA 0.834 4.954 4.120 -0.000 0.000 0.298 241 V C -1.400 174.713 176.094 0.032 0.000 1.028 241 V CA -0.283 62.028 62.300 0.019 0.000 0.860 241 V CB 1.399 33.241 31.823 0.032 0.000 0.991 241 V HN 0.877 nan 8.190 nan 0.000 0.427 242 A N 6.913 129.774 122.820 0.068 0.000 2.285 242 A HA 0.770 5.090 4.320 -0.000 0.000 0.310 242 A C -1.157 176.517 177.584 0.150 0.000 1.266 242 A CA -0.427 51.660 52.037 0.082 0.000 0.832 242 A CB 0.679 19.721 19.000 0.071 0.000 1.163 242 A HN 1.064 nan 8.150 nan 0.000 0.499 243 F N 2.555 122.513 119.950 0.013 0.000 2.443 243 F HA 0.726 5.253 4.527 -0.000 0.000 0.335 243 F C -0.177 175.636 175.800 0.020 0.000 1.104 243 F CA -0.088 57.922 58.000 0.017 0.000 1.013 243 F CB 2.102 41.109 39.000 0.011 0.000 1.136 243 F HN 0.375 nan 8.300 nan 0.000 0.470 244 T N 4.343 118.311 114.554 -0.977 0.000 2.965 244 T HA 0.739 5.089 4.350 -0.000 0.000 0.306 244 T C -0.391 173.674 174.700 -1.059 0.000 0.991 244 T CA -0.504 61.151 62.100 -0.741 0.000 1.001 244 T CB 0.898 69.592 68.868 -0.290 0.000 0.984 244 T HN 1.111 nan 8.240 nan 0.000 0.446 273 S N 3.362 119.124 115.700 0.103 0.000 2.516 273 S HA 0.225 4.695 4.470 -0.000 0.000 0.282 273 S C -2.288 172.444 174.600 0.220 0.000 1.286 273 S CA -0.627 57.686 58.200 0.187 0.000 1.066 273 S CB 0.420 63.805 63.200 0.307 0.000 0.884 273 S HN 0.181 nan 8.310 nan 0.000 0.491 274 P HA 0.185 nan 4.420 nan 0.000 0.292 274 P C -1.131 176.372 177.300 0.338 0.000 1.287 274 P CA -0.608 62.678 63.100 0.309 0.000 0.800 274 P CB 0.470 32.355 31.700 0.307 0.000 0.945 275 N N 4.023 122.911 118.700 0.314 0.000 2.558 275 N HA 0.294 5.034 4.740 -0.000 0.000 0.242 275 N C -0.614 175.065 175.510 0.281 0.000 0.979 275 N CA -0.628 52.611 53.050 0.315 0.000 0.931 275 N CB 0.439 38.996 38.487 0.117 0.000 1.122 275 N HN 0.325 nan 8.380 nan 0.000 0.508 276 I N 4.829 125.577 120.570 0.297 0.000 2.301 276 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 276 I C -0.112 176.181 176.117 0.293 0.000 1.046 276 I CA -0.614 60.823 61.300 0.229 0.000 1.282 276 I CB 0.878 38.917 38.000 0.064 0.000 1.409 276 I HN 0.383 nan 8.210 nan 0.000 0.484 277 I N 7.185 127.899 120.570 0.240 0.000 2.306 277 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 277 I C 0.301 176.574 176.117 0.259 0.000 1.036 277 I CA -0.449 60.956 61.300 0.174 0.000 1.221 277 I CB 0.825 38.705 38.000 -0.200 0.000 1.385 277 I HN 0.477 nan 8.210 nan 0.000 0.472 278 M N 3.783 123.551 119.600 0.280 0.000 2.227 278 M HA 0.153 4.633 4.480 -0.000 0.000 0.316 278 M C 1.703 178.083 176.300 0.133 0.000 1.144 278 M CA -0.055 55.388 55.300 0.239 0.000 1.121 278 M CB 0.748 33.480 32.600 0.219 0.000 1.440 278 M HN 0.663 nan 8.290 nan 0.000 0.473 279 S N 0.440 116.181 115.700 0.068 0.000 2.419 279 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 279 S C 0.825 175.473 174.600 0.080 0.000 1.016 279 S CA 1.446 59.674 58.200 0.047 0.000 0.974 279 S CB -0.528 62.676 63.200 0.007 0.000 0.786 279 S HN 0.743 nan 8.310 nan 0.000 0.492 280 D N 1.885 122.341 120.400 0.094 0.000 2.328 280 D HA 0.370 5.010 4.640 -0.000 0.000 0.226 280 D C 0.596 176.977 176.300 0.135 0.000 1.066 280 D CA 0.247 54.306 54.000 0.098 0.000 0.861 280 D CB -0.407 40.441 40.800 0.080 0.000 0.912 280 D HN 0.559 nan 8.370 nan 0.000 0.521 281 A N 0.470 123.396 122.820 0.176 0.000 2.386 281 A HA 0.151 4.471 4.320 -0.000 0.000 0.248 281 A C 0.323 178.051 177.584 0.240 0.000 1.082 281 A CA -0.433 51.753 52.037 0.248 0.000 0.789 281 A CB 0.229 19.425 19.000 0.328 0.000 1.025 281 A HN 0.196 nan 8.150 nan 0.000 0.490 282 D N 2.017 122.592 120.400 0.290 0.000 2.346 282 D HA 0.071 4.711 4.640 -0.000 0.000 0.260 282 D C 1.061 177.536 176.300 0.291 0.000 1.252 282 D CA -0.163 53.994 54.000 0.262 0.000 0.895 282 D CB 0.532 41.502 40.800 0.283 0.000 1.097 282 D HN 0.486 nan 8.370 nan 0.000 0.489 283 M N 4.444 124.172 119.600 0.214 0.000 2.065 283 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 283 M C 1.215 177.614 176.300 0.166 0.000 1.071 283 M CA 1.708 57.126 55.300 0.196 0.000 1.109 283 M CB -0.315 32.370 32.600 0.141 0.000 1.313 283 M HN 0.352 nan 8.290 nan 0.000 0.408 284 D N -0.856 119.636 120.400 0.153 0.000 2.106 284 D HA -0.275 4.365 4.640 -0.000 0.000 0.191 284 D C 1.869 178.293 176.300 0.206 0.000 0.997 284 D CA 1.697 55.778 54.000 0.135 0.000 0.834 284 D CB -0.824 40.059 40.800 0.138 0.000 0.956 284 D HN 0.669 nan 8.370 nan 0.000 0.448 285 W N 1.608 122.956 121.300 0.079 0.000 2.355 285 W HA -0.181 4.479 4.660 -0.000 0.000 0.309 285 W C 2.286 178.873 176.519 0.113 0.000 1.206 285 W CA 1.504 58.921 57.345 0.120 0.000 1.284 285 W CB -0.055 29.514 29.460 0.183 0.000 1.145 285 W HN -0.026 nan 8.180 nan 0.000 0.502 286 A N 0.387 123.299 122.820 0.154 0.000 1.883 286 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 286 A C 2.023 179.515 177.584 -0.152 0.000 1.186 286 A CA 2.349 54.291 52.037 -0.157 0.000 0.624 286 A CB -1.230 17.852 19.000 0.137 0.000 0.822 286 A HN 0.166 nan 8.150 nan 0.000 0.444 287 V N -0.065 119.807 119.914 -0.069 0.000 2.295 287 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 287 V C 2.642 178.607 176.094 -0.216 0.000 1.049 287 V CA 2.505 64.627 62.300 -0.298 0.000 1.024 287 V CB -0.722 30.876 31.823 -0.374 0.000 0.648 287 V HN 0.721 nan 8.190 nan 0.000 0.447 288 E N -0.099 119.995 120.200 -0.176 0.000 2.077 288 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 288 E C 2.267 178.775 176.600 -0.154 0.000 0.989 288 E CA 1.403 57.718 56.400 -0.141 0.000 0.800 288 E CB -0.249 29.377 29.700 -0.123 0.000 0.746 288 E HN 0.499 nan 8.360 nan 0.000 0.452 289 Q N -0.348 119.220 119.800 -0.386 0.000 2.119 289 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 289 Q C 2.127 178.007 176.000 -0.201 0.000 0.972 289 Q CA 1.417 57.002 55.803 -0.363 0.000 0.847 289 Q CB -0.474 27.908 28.738 -0.592 0.000 0.903 289 Q HN 0.393 nan 8.270 nan 0.000 0.433 290 A N 0.021 122.694 122.820 -0.245 0.000 1.930 290 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 290 A C 1.921 179.501 177.584 -0.006 0.000 1.175 290 A CA 1.800 53.757 52.037 -0.133 0.000 0.627 290 A CB -0.680 18.380 19.000 0.100 0.000 0.815 290 A HN 0.470 nan 8.150 nan 0.000 0.443 291 H N -1.577 117.490 119.070 -0.005 0.000 2.326 291 H HA -0.117 4.439 4.556 -0.000 0.000 0.301 291 H C 1.708 177.193 175.328 0.263 0.000 1.081 291 H CA 2.113 58.267 56.048 0.177 0.000 1.334 291 H CB -0.407 29.390 29.762 0.058 0.000 1.385 291 H HN 0.454 nan 8.280 nan 0.000 0.504 292 F N 0.883 120.870 119.950 0.060 0.000 2.102 292 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 292 F C 2.554 178.357 175.800 0.004 0.000 1.105 292 F CA 1.603 59.626 58.000 0.039 0.000 1.239 292 F CB -0.777 38.209 39.000 -0.024 0.000 0.991 292 F HN 0.288 nan 8.300 nan 0.000 0.474 293 A N 0.265 122.979 122.820 -0.176 0.000 1.958 293 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 293 A C 2.119 179.463 177.584 -0.400 0.000 1.178 293 A CA 2.246 53.964 52.037 -0.532 0.000 0.642 293 A CB -1.082 17.259 19.000 -1.099 0.000 0.816 293 A HN 0.625 nan 8.150 nan 0.000 0.453 294 L N -3.174 117.854 121.223 -0.325 0.000 2.269 294 L HA 0.293 4.633 4.340 -0.000 0.000 0.200 294 L C 2.035 178.671 176.870 -0.390 0.000 1.069 294 L CA 0.889 55.506 54.840 -0.370 0.000 0.804 294 L CB -0.077 41.672 42.059 -0.517 0.000 0.987 294 L HN 0.260 nan 8.230 nan 0.000 0.468 295 F N -0.537 119.253 119.950 -0.266 0.000 2.502 295 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 295 F C 1.027 176.739 175.800 -0.146 0.000 1.111 295 F CA 0.156 58.013 58.000 -0.239 0.000 1.445 295 F CB -0.459 38.282 39.000 -0.431 0.000 1.081 295 F HN -0.049 nan 8.300 nan 0.000 0.558 296 F N 2.321 122.146 119.950 -0.208 0.000 2.623 296 F HA -0.080 4.447 4.527 -0.000 0.000 0.386 296 F C 1.173 176.930 175.800 -0.070 0.000 1.068 296 F CA -0.047 57.806 58.000 -0.244 0.000 1.265 296 F CB 0.075 38.632 39.000 -0.739 0.000 1.026 296 F HN 0.118 nan 8.300 nan 0.000 0.568 297 N N 3.554 121.741 118.700 -0.854 0.000 2.740 297 N HA -0.296 4.444 4.740 -0.000 0.000 0.248 297 N C -0.011 175.306 175.510 -0.323 0.000 1.062 297 N CA 1.379 53.977 53.050 -0.754 0.000 0.704 297 N CB -1.100 36.740 38.487 -1.079 0.000 0.968 297 N HN 0.798 nan 8.380 nan 0.000 0.547 298 Q N -2.204 117.507 119.800 -0.148 0.000 2.480 298 Q HA -0.172 4.168 4.340 -0.000 0.000 0.265 298 Q C 1.198 177.200 176.000 0.003 0.000 1.072 298 Q CA 2.248 58.038 55.803 -0.022 0.000 1.018 298 Q CB -1.839 26.878 28.738 -0.035 0.000 1.433 298 Q HN 1.218 nan 8.270 nan 0.000 0.513 299 G N -1.095 107.684 108.800 -0.034 0.000 2.189 299 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 299 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 299 G C 0.070 175.032 174.900 0.104 0.000 0.975 299 G CA 0.426 45.511 45.100 -0.025 0.000 0.644 299 G HN 0.459 nan 8.290 nan 0.000 0.537 300 Q N -0.000 119.848 119.800 0.081 0.000 3.027 300 Q HA 0.496 4.836 4.340 -0.000 0.000 0.260 300 Q C -0.009 176.041 176.000 0.082 0.000 1.379 300 Q CA 0.034 55.928 55.803 0.152 0.000 1.038 300 Q CB 0.695 29.517 28.738 0.140 0.000 1.578 300 Q HN 0.430 nan 8.270 nan 0.000 0.571 301 C N 0.390 119.894 119.300 0.340 0.000 2.608 301 C HA 0.313 4.773 4.460 -0.000 0.000 0.325 301 C C 1.913 177.233 174.990 0.550 0.000 1.147 301 C CA -0.736 58.539 59.018 0.429 0.000 1.359 301 C CB 0.299 28.305 27.740 0.443 0.000 1.912 301 C HN 0.993 nan 8.230 nan 0.000 0.466 302 C N 1.845 121.438 119.300 0.488 0.000 2.410 302 C HA -0.042 4.418 4.460 -0.000 0.000 0.281 302 C C 1.771 177.039 174.990 0.463 0.000 1.318 302 C CA 1.376 60.717 59.018 0.538 0.000 1.776 302 C CB -2.535 25.426 27.740 0.368 0.000 1.942 302 C HN 1.050 nan 8.230 nan 0.000 0.508 303 C N 0.840 120.445 119.300 0.509 0.000 2.548 303 C HA 0.770 5.229 4.460 -0.000 0.000 0.297 303 C C 1.162 176.476 174.990 0.540 0.000 1.422 303 C CA -0.820 58.517 59.018 0.532 0.000 1.785 303 C CB -2.332 25.853 27.740 0.741 0.000 2.593 303 C HN 0.739 nan 8.230 nan 0.000 0.545 304 A N 0.980 124.026 122.820 0.376 0.000 2.540 304 A HA 0.473 4.793 4.320 -0.000 0.000 0.239 304 A C 1.125 178.818 177.584 0.181 0.000 1.061 304 A CA 0.803 52.986 52.037 0.243 0.000 0.758 304 A CB -0.056 18.995 19.000 0.084 0.000 0.991 304 A HN 1.233 nan 8.150 nan 0.000 0.502 305 G N 1.655 110.469 108.800 0.024 0.000 3.008 305 G HA2 0.326 4.286 3.960 -0.000 0.000 0.272 305 G HA3 0.326 4.286 3.960 -0.000 0.000 0.272 305 G C 0.905 175.740 174.900 -0.108 0.000 0.764 305 G CA 0.394 45.457 45.100 -0.061 0.000 2.029 305 G HN 1.178 nan 8.290 nan 0.000 0.587 306 S N 0.617 116.275 115.700 -0.070 0.000 2.650 306 S HA 0.163 4.633 4.470 -0.000 0.000 0.219 306 S C 0.952 175.482 174.600 -0.116 0.000 0.960 306 S CA -0.231 57.892 58.200 -0.128 0.000 0.925 306 S CB 0.326 63.431 63.200 -0.159 0.000 0.775 306 S HN 0.411 nan 8.310 nan 0.000 0.525 307 R N 1.611 122.062 120.500 -0.082 0.000 2.576 307 R HA 0.261 4.601 4.340 -0.000 0.000 0.283 307 R C -1.278 174.932 176.300 -0.150 0.000 1.493 307 R CA -0.098 55.902 56.100 -0.167 0.000 1.170 307 R CB 1.369 31.605 30.300 -0.105 0.000 1.189 307 R HN 0.160 nan 8.270 nan 0.000 0.542 308 T N 3.688 118.140 114.554 -0.171 0.000 2.875 308 T HA 0.274 4.624 4.350 -0.000 0.000 0.307 308 T C -0.090 174.536 174.700 -0.124 0.000 1.013 308 T CA -0.086 61.968 62.100 -0.077 0.000 0.970 308 T CB -0.129 68.737 68.868 -0.003 0.000 0.986 308 T HN 0.171 nan 8.240 nan 0.000 0.536 309 F N 2.619 122.586 119.950 0.028 0.000 2.445 309 F HA 0.422 4.949 4.527 -0.000 0.000 0.359 309 F C 0.380 176.319 175.800 0.232 0.000 1.101 309 F CA -0.598 57.473 58.000 0.118 0.000 1.177 309 F CB 0.839 39.787 39.000 -0.086 0.000 1.110 309 F HN 0.191 nan 8.300 nan 0.000 0.522 310 V N 3.837 124.034 119.914 0.471 0.000 2.540 310 V HA 0.254 4.374 4.120 -0.000 0.000 0.302 310 V C -0.199 175.898 176.094 0.005 0.000 1.035 310 V CA -1.171 61.232 62.300 0.172 0.000 0.873 310 V CB 1.603 33.305 31.823 -0.201 0.000 0.992 310 V HN 0.645 nan 8.190 nan 0.000 0.428 311 Q N 2.510 122.083 119.800 -0.379 0.000 2.300 311 Q HA 0.031 4.371 4.340 -0.000 0.000 0.280 311 Q C 1.467 177.282 176.000 -0.307 0.000 1.033 311 Q CA 0.348 55.644 55.803 -0.845 0.000 0.903 311 Q CB 0.804 29.206 28.738 -0.561 0.000 1.195 311 Q HN 0.915 nan 8.270 nan 0.000 0.386 312 E N 2.641 122.665 120.200 -0.294 0.000 2.147 312 E HA -0.332 4.018 4.350 -0.000 0.000 0.199 312 E C 0.312 176.898 176.600 -0.023 0.000 1.005 312 E CA 1.734 58.069 56.400 -0.107 0.000 0.810 312 E CB -0.057 29.563 29.700 -0.134 0.000 0.736 312 E HN 0.661 nan 8.360 nan 0.000 0.460 313 D N 1.021 121.390 120.400 -0.052 0.000 2.263 313 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 313 D C 1.994 178.317 176.300 0.038 0.000 0.971 313 D CA 1.410 55.407 54.000 -0.006 0.000 0.867 313 D CB -0.028 40.762 40.800 -0.018 0.000 0.929 313 D HN 0.636 nan 8.370 nan 0.000 0.492 314 I N -3.765 116.836 120.570 0.051 0.000 4.154 314 I HA 0.166 4.336 4.170 -0.000 0.000 0.334 314 I C 1.824 178.031 176.117 0.150 0.000 1.371 314 I CA -0.557 60.799 61.300 0.093 0.000 1.110 314 I CB -0.077 37.974 38.000 0.085 0.000 1.085 314 I HN -0.259 nan 8.210 nan 0.000 0.398 315 Y N 3.047 123.361 120.300 0.024 0.000 2.053 315 Y HA -0.326 4.224 4.550 -0.000 0.000 0.277 315 Y C 2.110 178.082 175.900 0.121 0.000 1.159 315 Y CA 2.395 60.532 58.100 0.062 0.000 1.125 315 Y CB -0.186 38.284 38.460 0.017 0.000 0.969 315 Y HN 0.210 nan 8.280 nan 0.000 0.492 316 D N 0.012 120.598 120.400 0.309 0.000 2.116 316 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 316 D C 2.122 178.468 176.300 0.077 0.000 0.998 316 D CA 1.837 55.953 54.000 0.192 0.000 0.836 316 D CB -0.516 40.386 40.800 0.170 0.000 0.951 316 D HN 0.625 nan 8.370 nan 0.000 0.449 317 E N -0.545 119.708 120.200 0.088 0.000 2.051 317 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 317 E C 2.106 178.729 176.600 0.039 0.000 0.991 317 E CA 0.528 56.962 56.400 0.057 0.000 0.799 317 E CB -0.226 29.517 29.700 0.072 0.000 0.748 317 E HN 0.200 nan 8.360 nan 0.000 0.449 318 F N 0.770 120.676 119.950 -0.074 0.000 2.069 318 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 318 F C 2.119 177.829 175.800 -0.150 0.000 1.113 318 F CA 1.495 59.432 58.000 -0.105 0.000 1.214 318 F CB -0.333 38.598 39.000 -0.116 0.000 0.978 318 F HN -0.107 nan 8.300 nan 0.000 0.474 319 V N 0.345 120.231 119.914 -0.046 0.000 2.332 319 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 319 V C 2.375 178.389 176.094 -0.133 0.000 1.055 319 V CA 2.314 64.528 62.300 -0.145 0.000 1.038 319 V CB -0.721 30.948 31.823 -0.257 0.000 0.651 319 V HN 0.435 nan 8.190 nan 0.000 0.450 320 E N 0.026 120.169 120.200 -0.095 0.000 2.051 320 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 320 E C 2.483 179.010 176.600 -0.122 0.000 0.991 320 E CA 1.392 57.746 56.400 -0.077 0.000 0.799 320 E CB -0.033 29.643 29.700 -0.040 0.000 0.748 320 E HN 0.526 nan 8.360 nan 0.000 0.449 321 R N -0.096 120.301 120.500 -0.172 0.000 2.092 321 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 321 R C 2.613 178.748 176.300 -0.275 0.000 1.119 321 R CA 1.390 57.361 56.100 -0.214 0.000 0.970 321 R CB -0.110 30.044 30.300 -0.244 0.000 0.864 321 R HN 0.050 nan 8.270 nan 0.000 0.440 322 S N 0.284 115.770 115.700 -0.358 0.000 2.368 322 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 322 S C 2.099 176.608 174.600 -0.151 0.000 1.029 322 S CA 1.201 59.221 58.200 -0.301 0.000 0.988 322 S CB -0.127 62.877 63.200 -0.327 0.000 0.838 322 S HN 0.063 nan 8.310 nan 0.000 0.462 323 V N 2.117 121.958 119.914 -0.123 0.000 2.343 323 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 323 V C 2.640 178.672 176.094 -0.104 0.000 1.051 323 V CA 1.674 63.926 62.300 -0.081 0.000 1.036 323 V CB -1.234 30.552 31.823 -0.063 0.000 0.654 323 V HN 0.537 nan 8.190 nan 0.000 0.451 324 A N 0.289 123.035 122.820 -0.124 0.000 1.902 324 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 324 A C 2.316 179.797 177.584 -0.171 0.000 1.181 324 A CA 2.148 54.109 52.037 -0.127 0.000 0.623 324 A CB -0.525 18.404 19.000 -0.119 0.000 0.818 324 A HN 0.449 nan 8.150 nan 0.000 0.443 325 R N 0.129 120.489 120.500 -0.234 0.000 2.081 325 R HA -0.004 4.336 4.340 -0.000 0.000 0.235 325 R C 2.118 178.166 176.300 -0.419 0.000 1.131 325 R CA 1.873 57.748 56.100 -0.376 0.000 0.960 325 R CB -0.836 29.168 30.300 -0.494 0.000 0.856 325 R HN 0.399 nan 8.270 nan 0.000 0.436 326 A N 0.359 123.019 122.820 -0.266 0.000 1.969 326 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 326 A C 1.908 179.385 177.584 -0.177 0.000 1.169 326 A CA 1.475 53.378 52.037 -0.223 0.000 0.635 326 A CB -0.314 18.627 19.000 -0.097 0.000 0.810 326 A HN 0.352 nan 8.150 nan 0.000 0.445 327 K N 0.299 120.617 120.400 -0.137 0.000 2.217 327 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 327 K C 2.114 178.653 176.600 -0.102 0.000 1.051 327 K CA 1.353 57.580 56.287 -0.100 0.000 0.952 327 K CB -0.080 32.371 32.500 -0.081 0.000 0.736 327 K HN 0.639 nan 8.250 nan 0.000 0.453 328 S N 0.661 116.283 115.700 -0.130 0.000 2.527 328 S HA -0.029 4.441 4.470 -0.000 0.000 0.222 328 S C 0.908 175.445 174.600 -0.106 0.000 0.985 328 S CA -0.197 57.935 58.200 -0.113 0.000 0.921 328 S CB -0.095 63.029 63.200 -0.126 0.000 0.772 328 S HN 0.133 nan 8.310 nan 0.000 0.529 329 R N 2.086 122.509 120.500 -0.128 0.000 2.446 329 R HA 0.209 4.549 4.340 -0.000 0.000 0.314 329 R C -0.962 175.312 176.300 -0.043 0.000 1.003 329 R CA -0.146 55.905 56.100 -0.082 0.000 1.018 329 R CB 0.135 30.369 30.300 -0.109 0.000 0.945 329 R HN 0.172 nan 8.270 nan 0.000 0.419 330 V N 6.345 126.250 119.914 -0.016 0.000 2.446 330 V HA 0.075 4.195 4.120 -0.000 0.000 0.276 330 V C 0.204 176.308 176.094 0.018 0.000 1.030 330 V CA -0.179 62.118 62.300 -0.005 0.000 1.033 330 V CB 1.075 32.899 31.823 0.001 0.000 0.993 330 V HN 0.451 nan 8.190 nan 0.000 0.477 331 V N 4.866 124.787 119.914 0.012 0.000 2.435 331 V HA 1.005 5.125 4.120 -0.000 0.000 0.290 331 V C 0.647 176.725 176.094 -0.027 0.000 1.030 331 V CA 0.514 62.844 62.300 0.050 0.000 0.881 331 V CB 1.012 32.884 31.823 0.081 0.000 0.983 331 V HN 1.147 nan 8.190 nan 0.000 0.445 332 G N 3.410 112.214 108.800 0.006 0.000 2.356 332 G HA2 0.155 4.114 3.960 -0.000 0.000 0.281 332 G HA3 0.155 4.114 3.960 -0.000 0.000 0.281 332 G C -1.023 173.901 174.900 0.040 0.000 1.246 332 G CA -0.870 44.145 45.100 -0.143 0.000 0.889 332 G HN 0.635 nan 8.290 nan 0.000 0.486 333 N N 2.116 120.816 118.700 -0.000 0.000 2.414 333 N HA 0.183 4.923 4.740 -0.000 0.000 0.268 333 N C -0.490 175.076 175.510 0.093 0.000 1.286 333 N CA -0.971 52.137 53.050 0.097 0.000 0.896 333 N CB 1.314 39.849 38.487 0.079 0.000 1.093 333 N HN 0.151 nan 8.380 nan 0.000 0.480 334 P HA -0.160 nan 4.420 nan 0.000 0.221 334 P C 0.753 177.972 177.300 -0.135 0.000 1.145 334 P CA 1.315 64.361 63.100 -0.090 0.000 0.795 334 P CB -0.049 31.513 31.700 -0.229 0.000 0.775 335 F N -0.248 119.741 119.950 0.065 0.000 2.710 335 F HA 0.067 4.594 4.527 -0.000 0.000 0.298 335 F C 1.354 177.176 175.800 0.036 0.000 1.137 335 F CA 0.049 58.068 58.000 0.033 0.000 1.444 335 F CB -0.167 38.800 39.000 -0.055 0.000 1.111 335 F HN -0.117 nan 8.300 nan 0.000 0.580 336 D N 0.270 120.776 120.400 0.177 0.000 2.312 336 D HA -0.010 4.630 4.640 -0.000 0.000 0.252 336 D C 1.302 177.668 176.300 0.110 0.000 1.150 336 D CA 0.289 54.358 54.000 0.115 0.000 0.870 336 D CB 1.490 42.332 40.800 0.070 0.000 1.153 336 D HN 0.148 nan 8.370 nan 0.000 0.457 337 S N 3.823 119.584 115.700 0.103 0.000 2.419 337 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 337 S C 1.433 176.076 174.600 0.072 0.000 1.019 337 S CA 0.950 59.209 58.200 0.097 0.000 0.982 337 S CB -0.044 63.203 63.200 0.079 0.000 0.789 337 S HN 0.519 nan 8.310 nan 0.000 0.490 338 K N 0.892 121.325 120.400 0.054 0.000 2.296 338 K HA 0.087 4.406 4.320 -0.000 0.000 0.200 338 K C 0.195 176.820 176.600 0.043 0.000 1.048 338 K CA 0.586 56.897 56.287 0.040 0.000 0.966 338 K CB -0.256 32.258 32.500 0.023 0.000 0.754 338 K HN 0.316 nan 8.250 nan 0.000 0.466 339 T N 1.952 116.537 114.554 0.052 0.000 2.867 339 T HA 0.010 4.360 4.350 -0.000 0.000 0.297 339 T C 0.781 175.521 174.700 0.068 0.000 0.989 339 T CA 0.393 62.526 62.100 0.055 0.000 1.159 339 T CB 0.918 69.823 68.868 0.062 0.000 0.928 339 T HN 0.199 nan 8.240 nan 0.000 0.538 340 E N 1.697 121.939 120.200 0.070 0.000 2.340 340 E HA 0.069 4.419 4.350 -0.000 0.000 0.198 340 E C 0.737 177.394 176.600 0.095 0.000 0.961 340 E CA 0.130 56.586 56.400 0.093 0.000 0.905 340 E CB 0.638 30.394 29.700 0.093 0.000 0.884 340 E HN 0.540 nan 8.360 nan 0.000 0.491 341 Q N 0.395 120.247 119.800 0.087 0.000 2.292 341 Q HA 0.420 4.760 4.340 -0.000 0.000 0.270 341 Q C -0.586 175.490 176.000 0.128 0.000 1.024 341 Q CA -0.584 55.276 55.803 0.094 0.000 0.768 341 Q CB 1.771 30.573 28.738 0.106 0.000 1.250 341 Q HN 0.144 nan 8.270 nan 0.000 0.447 342 G N 3.205 112.047 108.800 0.071 0.000 2.543 342 G HA2 0.572 4.532 3.960 -0.000 0.000 0.267 342 G HA3 0.572 4.532 3.960 -0.000 0.000 0.267 342 G C -2.504 172.364 174.900 -0.052 0.000 1.406 342 G CA -0.922 44.219 45.100 0.070 0.000 1.048 342 G HN 0.530 nan 8.290 nan 0.000 0.548 343 P HA 0.212 nan 4.420 nan 0.000 0.279 343 P C -0.837 176.286 177.300 -0.294 0.000 1.276 343 P CA -0.410 62.260 63.100 -0.717 0.000 0.801 343 P CB 0.961 31.896 31.700 -1.275 0.000 1.127 344 Q N -0.207 119.489 119.800 -0.173 0.000 2.382 344 Q HA 0.072 4.412 4.340 -0.000 0.000 0.229 344 Q C 1.393 177.286 176.000 -0.177 0.000 1.006 344 Q CA -0.455 55.290 55.803 -0.096 0.000 0.916 344 Q CB 0.408 29.160 28.738 0.022 0.000 1.235 344 Q HN 0.216 nan 8.270 nan 0.000 0.512 345 V N 0.712 120.436 119.914 -0.316 0.000 2.252 345 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 345 V C 0.417 176.283 176.094 -0.380 0.000 1.056 345 V CA 2.882 64.900 62.300 -0.470 0.000 1.022 345 V CB -0.053 31.099 31.823 -1.119 0.000 0.641 345 V HN 1.012 nan 8.190 nan 0.000 0.445 346 D N -3.259 116.843 120.400 -0.496 0.000 2.664 346 D HA 0.150 4.790 4.640 -0.000 0.000 0.292 346 D C 0.695 176.354 176.300 -1.069 0.000 1.214 346 D CA -0.046 53.594 54.000 -0.601 0.000 0.932 346 D CB 0.828 41.362 40.800 -0.444 0.000 1.420 346 D HN 0.095 nan 8.370 nan 0.000 0.471 347 E N -0.609 118.835 120.200 -1.260 0.000 2.110 347 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 347 E C 1.176 177.574 176.600 -0.337 0.000 0.988 347 E CA 1.697 57.524 56.400 -0.955 0.000 0.804 347 E CB -0.058 29.362 29.700 -0.468 0.000 0.745 347 E HN 0.526 nan 8.360 nan 0.000 0.458 348 T N 1.131 115.520 114.554 -0.275 0.000 2.720 348 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 348 T C 1.770 176.417 174.700 -0.088 0.000 1.037 348 T CA 1.186 63.202 62.100 -0.141 0.000 1.144 348 T CB -0.110 68.682 68.868 -0.126 0.000 0.864 348 T HN 0.164 nan 8.240 nan 0.000 0.444 349 Q N -0.128 119.590 119.800 -0.138 0.000 2.123 349 Q HA 0.064 4.404 4.340 -0.000 0.000 0.199 349 Q C 2.055 178.073 176.000 0.031 0.000 0.966 349 Q CA 0.777 56.555 55.803 -0.041 0.000 0.845 349 Q CB -0.602 28.061 28.738 -0.124 0.000 0.907 349 Q HN 0.519 nan 8.270 nan 0.000 0.439 350 F N 2.191 122.017 119.950 -0.206 0.000 2.065 350 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 350 F C 1.985 177.761 175.800 -0.040 0.000 1.112 350 F CA 1.695 59.621 58.000 -0.124 0.000 1.212 350 F CB -0.041 38.829 39.000 -0.217 0.000 0.975 350 F HN -0.040 nan 8.300 nan 0.000 0.476 351 K N -0.142 120.223 120.400 -0.059 0.000 2.148 351 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 351 K C 2.190 178.746 176.600 -0.073 0.000 1.050 351 K CA 1.259 57.468 56.287 -0.129 0.000 0.942 351 K CB -0.213 32.261 32.500 -0.043 0.000 0.724 351 K HN 0.204 nan 8.250 nan 0.000 0.446 352 K N 1.127 121.528 120.400 0.001 0.000 2.097 352 K HA -0.080 4.239 4.320 -0.000 0.000 0.206 352 K C 1.911 178.631 176.600 0.199 0.000 1.049 352 K CA 1.104 57.442 56.287 0.086 0.000 0.933 352 K CB 0.041 32.631 32.500 0.150 0.000 0.717 352 K HN 0.065 nan 8.250 nan 0.000 0.442 353 I N 0.737 121.390 120.570 0.137 0.000 2.353 353 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 353 I C 1.986 178.155 176.117 0.088 0.000 1.119 353 I CA 0.772 62.164 61.300 0.154 0.000 1.417 353 I CB -0.106 37.944 38.000 0.084 0.000 1.078 353 I HN 0.146 nan 8.210 nan 0.000 0.421 354 L N 0.490 121.678 121.223 -0.060 0.000 2.046 354 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 354 L C 2.663 179.518 176.870 -0.024 0.000 1.077 354 L CA 1.586 56.369 54.840 -0.096 0.000 0.747 354 L CB -1.054 40.858 42.059 -0.246 0.000 0.896 354 L HN 0.317 nan 8.230 nan 0.000 0.432 355 G N -1.395 107.382 108.800 -0.038 0.000 2.408 355 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 355 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 355 G C 1.384 176.239 174.900 -0.076 0.000 1.150 355 G CA 0.401 45.454 45.100 -0.079 0.000 0.776 355 G HN 0.286 nan 8.290 nan 0.000 0.542 356 Y N 0.415 120.706 120.300 -0.014 0.000 2.242 356 Y HA 0.046 4.595 4.550 -0.000 0.000 0.291 356 Y C 2.724 178.636 175.900 0.020 0.000 1.137 356 Y CA 0.672 58.766 58.100 -0.009 0.000 1.181 356 Y CB 0.038 38.497 38.460 -0.003 0.000 0.989 356 Y HN 0.118 nan 8.280 nan 0.000 0.527 357 I N -0.193 120.522 120.570 0.243 0.000 2.252 357 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 357 I C 1.807 178.068 176.117 0.240 0.000 1.102 357 I CA 1.087 62.576 61.300 0.315 0.000 1.385 357 I CB -0.388 37.750 38.000 0.230 0.000 1.064 357 I HN 0.272 nan 8.210 nan 0.000 0.414 358 N N 0.524 119.291 118.700 0.112 0.000 2.120 358 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 358 N C 1.831 177.353 175.510 0.019 0.000 1.024 358 N CA 1.702 54.788 53.050 0.060 0.000 0.852 358 N CB -0.614 37.879 38.487 0.009 0.000 1.003 358 N HN 0.263 nan 8.380 nan 0.000 0.424 359 T N -0.159 114.383 114.554 -0.020 0.000 2.833 359 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 359 T C 1.831 176.467 174.700 -0.107 0.000 1.054 359 T CA 1.363 63.425 62.100 -0.063 0.000 1.135 359 T CB -0.609 68.207 68.868 -0.086 0.000 0.869 359 T HN 0.407 nan 8.240 nan 0.000 0.466 360 G N 1.532 110.225 108.800 -0.177 0.000 2.421 360 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 360 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 360 G C 1.618 176.335 174.900 -0.306 0.000 1.171 360 G CA 0.712 45.487 45.100 -0.541 0.000 0.775 360 G HN 0.425 nan 8.290 nan 0.000 0.543 361 K N 0.090 120.495 120.400 0.007 0.000 2.026 361 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 361 K C 2.573 179.193 176.600 0.033 0.000 1.048 361 K CA 1.382 57.742 56.287 0.121 0.000 0.929 361 K CB -0.222 32.374 32.500 0.161 0.000 0.713 361 K HN 0.459 nan 8.250 nan 0.000 0.439 362 Q N 1.428 121.229 119.800 0.001 0.000 2.170 362 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 362 Q C 1.107 177.091 176.000 -0.026 0.000 0.976 362 Q CA 1.582 57.378 55.803 -0.012 0.000 0.858 362 Q CB 0.112 28.837 28.738 -0.022 0.000 0.907 362 Q HN 0.360 nan 8.270 nan 0.000 0.433 363 E N -1.191 118.976 120.200 -0.055 0.000 2.502 363 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 363 E C 0.645 177.219 176.600 -0.044 0.000 1.062 363 E CA 0.329 56.695 56.400 -0.057 0.000 0.867 363 E CB 0.428 30.078 29.700 -0.084 0.000 0.888 363 E HN 0.655 nan 8.360 nan 0.000 0.510 364 G N 1.005 109.789 108.800 -0.028 0.000 2.179 364 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 364 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 364 G C 0.369 175.277 174.900 0.012 0.000 0.990 364 G CA -0.110 44.989 45.100 -0.001 0.000 0.646 364 G HN 0.433 nan 8.290 nan 0.000 0.517 365 A N 0.237 123.039 122.820 -0.030 0.000 2.462 365 A HA 0.577 4.897 4.320 -0.000 0.000 0.243 365 A C 0.648 178.357 177.584 0.209 0.000 1.076 365 A CA 0.706 52.749 52.037 0.010 0.000 0.773 365 A CB 0.355 19.191 19.000 -0.275 0.000 1.010 365 A HN 0.533 nan 8.150 nan 0.000 0.493 366 K N 2.462 123.012 120.400 0.251 0.000 2.292 366 K HA 0.252 4.572 4.320 -0.000 0.000 0.290 366 K C -0.662 176.107 176.600 0.282 0.000 1.083 366 K CA -0.440 55.988 56.287 0.235 0.000 0.918 366 K CB 0.039 32.637 32.500 0.163 0.000 1.089 366 K HN 0.583 nan 8.250 nan 0.000 0.473 367 L N 6.352 127.704 121.223 0.215 0.000 2.456 367 L HA 0.059 4.399 4.340 -0.000 0.000 0.277 367 L C 0.287 177.116 176.870 -0.069 0.000 1.124 367 L CA 0.603 55.398 54.840 -0.074 0.000 0.880 367 L CB 0.387 42.404 42.059 -0.069 0.000 1.192 367 L HN 0.784 nan 8.230 nan 0.000 0.463 368 L N 4.829 125.984 121.223 -0.113 0.000 2.463 368 L HA 0.202 4.542 4.340 -0.000 0.000 0.219 368 L C 0.438 177.265 176.870 -0.072 0.000 1.088 368 L CA 0.238 55.044 54.840 -0.055 0.000 0.849 368 L CB -0.068 41.978 42.059 -0.023 0.000 1.012 368 L HN 0.845 nan 8.230 nan 0.000 0.468 369 C N -3.512 115.718 119.300 -0.116 0.000 3.253 369 C HA 0.708 5.168 4.460 -0.000 0.000 0.342 369 C C 0.689 175.616 174.990 -0.104 0.000 1.306 369 C CA -0.701 58.265 59.018 -0.086 0.000 1.207 369 C CB 0.769 28.474 27.740 -0.059 0.000 1.479 369 C HN 0.611 nan 8.230 nan 0.000 0.469 370 G N 0.885 109.647 108.800 -0.063 0.000 2.574 370 G HA2 0.345 4.305 3.960 -0.000 0.000 0.286 370 G HA3 0.345 4.305 3.960 -0.000 0.000 0.286 370 G C 1.388 176.249 174.900 -0.065 0.000 1.212 370 G CA 2.484 47.558 45.100 -0.043 0.000 0.979 370 G HN 3.345 nan 8.290 nan 0.000 0.557 371 G N -2.152 106.612 108.800 -0.059 0.000 2.195 371 G HA2 0.415 4.375 3.960 -0.000 0.000 0.224 371 G HA3 0.415 4.375 3.960 -0.000 0.000 0.224 371 G C 1.433 176.331 174.900 -0.003 0.000 0.990 371 G CA 1.024 46.092 45.100 -0.053 0.000 0.639 371 G HN 2.552 nan 8.290 nan 0.000 0.514 372 G N -0.965 107.842 108.800 0.011 0.000 3.022 372 G HA2 0.687 4.647 3.960 -0.000 0.000 0.284 372 G HA3 0.687 4.647 3.960 -0.000 0.000 0.284 372 G C -0.264 174.670 174.900 0.057 0.000 1.375 372 G CA -0.812 44.300 45.100 0.021 0.000 0.902 372 G HN 0.611 nan 8.290 nan 0.000 0.538 373 I N 1.059 121.677 120.570 0.080 0.000 2.692 373 I HA 0.249 4.419 4.170 -0.000 0.000 0.284 373 I C 1.432 177.652 176.117 0.172 0.000 1.159 373 I CA -0.056 61.358 61.300 0.191 0.000 1.423 373 I CB 1.694 39.849 38.000 0.258 0.000 1.380 373 I HN 0.543 nan 8.210 nan 0.000 0.580 374 A N 4.986 127.940 122.820 0.224 0.000 2.267 374 A HA 0.667 4.987 4.320 -0.000 0.000 0.213 374 A C 0.709 178.325 177.584 0.054 0.000 1.192 374 A CA 0.592 52.709 52.037 0.133 0.000 0.851 374 A CB 0.067 19.158 19.000 0.152 0.000 0.881 374 A HN 0.831 nan 8.150 nan 0.000 0.494 375 A N -1.087 121.797 122.820 0.106 0.000 2.597 375 A HA 0.524 4.844 4.320 -0.000 0.000 0.292 375 A C -0.758 176.876 177.584 0.083 0.000 1.057 375 A CA -0.272 51.767 52.037 0.003 0.000 0.674 375 A CB 0.228 19.090 19.000 -0.229 0.000 1.278 375 A HN -0.054 nan 8.150 nan 0.000 0.416 376 D N 0.030 120.447 120.400 0.029 0.000 2.323 376 D HA 0.043 4.683 4.640 -0.000 0.000 0.209 376 D C 0.641 176.956 176.300 0.025 0.000 0.973 376 D CA 1.022 55.048 54.000 0.044 0.000 0.874 376 D CB 0.301 41.112 40.800 0.019 0.000 0.930 376 D HN 0.470 nan 8.370 nan 0.000 0.521 377 R N -0.021 120.484 120.500 0.008 0.000 2.534 377 R HA 0.482 4.822 4.340 -0.000 0.000 0.301 377 R C 0.079 176.411 176.300 0.054 0.000 0.961 377 R CA -0.027 56.063 56.100 -0.017 0.000 0.871 377 R CB 1.351 31.635 30.300 -0.028 0.000 1.170 377 R HN 0.093 nan 8.270 nan 0.000 0.446 378 G N 2.383 111.067 108.800 -0.193 0.000 2.685 378 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.387 378 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.387 378 G C -0.973 173.471 174.900 -0.761 0.000 1.324 378 G CA -0.478 44.336 45.100 -0.476 0.000 0.878 378 G HN 0.655 nan 8.290 nan 0.000 0.527 379 Y N -0.063 119.780 120.300 -0.761 0.000 2.813 379 Y HA 0.517 5.067 4.550 -0.000 0.000 0.378 379 Y C 0.572 176.115 175.900 -0.595 0.000 1.023 379 Y CA -0.826 56.616 58.100 -1.096 0.000 1.567 379 Y CB 0.024 37.981 38.460 -0.838 0.000 1.492 379 Y HN 0.318 nan 8.280 nan 0.000 0.533 380 F N 1.599 121.523 119.950 -0.042 0.000 2.410 380 F HA 0.439 4.966 4.527 -0.000 0.000 0.348 380 F C 0.225 176.220 175.800 0.326 0.000 1.106 380 F CA -0.796 57.284 58.000 0.134 0.000 1.163 380 F CB 0.606 39.634 39.000 0.046 0.000 1.129 380 F HN 0.035 nan 8.300 nan 0.000 0.516 381 I N 2.789 123.608 120.570 0.414 0.000 2.509 381 I HA 0.253 4.423 4.170 -0.000 0.000 0.293 381 I C -0.495 175.753 176.117 0.218 0.000 1.020 381 I CA -1.035 60.447 61.300 0.303 0.000 1.088 381 I CB 1.939 40.077 38.000 0.230 0.000 1.267 381 I HN 0.544 nan 8.210 nan 0.000 0.430 382 Q N 5.860 125.754 119.800 0.156 0.000 2.364 382 Q HA 0.201 4.541 4.340 -0.000 0.000 0.267 382 Q C -2.338 173.734 176.000 0.120 0.000 0.999 382 Q CA -1.592 54.276 55.803 0.108 0.000 0.886 382 Q CB -0.014 28.760 28.738 0.061 0.000 1.243 382 Q HN 0.267 nan 8.270 nan 0.000 0.415 383 P HA -0.019 nan 4.420 nan 0.000 0.265 383 P C -1.073 176.334 177.300 0.179 0.000 1.222 383 P CA 0.467 63.685 63.100 0.196 0.000 0.767 383 P CB 0.587 32.221 31.700 -0.109 0.000 0.801 384 T N 2.873 117.571 114.554 0.241 0.000 2.855 384 T HA 0.512 4.862 4.350 -0.000 0.000 0.281 384 T C -0.309 174.417 174.700 0.044 0.000 1.007 384 T CA -0.446 61.678 62.100 0.040 0.000 1.009 384 T CB 1.058 69.883 68.868 -0.071 0.000 0.983 384 T HN -0.046 nan 8.240 nan 0.000 0.455 385 V N 3.168 123.014 119.914 -0.112 0.000 2.577 385 V HA 0.535 4.655 4.120 -0.000 0.000 0.303 385 V C -1.144 174.820 176.094 -0.216 0.000 1.042 385 V CA -0.917 61.348 62.300 -0.059 0.000 0.872 385 V CB 1.488 33.327 31.823 0.028 0.000 0.998 385 V HN 0.845 nan 8.190 nan 0.000 0.423 386 F N 2.156 122.128 119.950 0.037 0.000 2.482 386 F HA 0.777 5.304 4.527 -0.000 0.000 0.331 386 F C 0.879 176.707 175.800 0.047 0.000 1.115 386 F CA -0.353 57.667 58.000 0.034 0.000 0.955 386 F CB 2.203 41.213 39.000 0.016 0.000 1.136 386 F HN 0.624 nan 8.300 nan 0.000 0.452 387 G N 0.784 109.751 108.800 0.278 0.000 2.509 387 G HA2 0.330 4.290 3.960 -0.000 0.000 0.328 387 G HA3 0.330 4.290 3.960 -0.000 0.000 0.328 387 G C -0.529 174.520 174.900 0.248 0.000 1.194 387 G CA -0.637 44.610 45.100 0.246 0.000 0.967 387 G HN 0.718 nan 8.290 nan 0.000 0.488 388 D N -1.075 119.504 120.400 0.300 0.000 2.701 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 388 D C 0.651 177.005 176.300 0.091 0.000 1.155 388 D CA 0.655 54.751 54.000 0.160 0.000 0.649 388 D CB -1.074 39.786 40.800 0.100 0.000 1.050 388 D HN 0.172 nan 8.370 nan 0.000 0.425 389 V N 0.740 120.704 119.914 0.084 0.000 2.811 389 V HA 0.043 4.163 4.120 -0.000 0.000 0.302 389 V C 0.850 176.940 176.094 -0.007 0.000 1.063 389 V CA 0.110 62.415 62.300 0.009 0.000 1.088 389 V CB 1.698 33.505 31.823 -0.028 0.000 0.982 389 V HN 0.057 nan 8.190 nan 0.000 0.485 390 Q N 1.802 121.591 119.800 -0.019 0.000 2.306 390 Q HA 0.335 4.675 4.340 -0.000 0.000 0.265 390 Q C 0.389 176.389 176.000 -0.001 0.000 1.022 390 Q CA -0.765 55.038 55.803 0.001 0.000 0.853 390 Q CB 1.538 30.278 28.738 0.002 0.000 1.327 390 Q HN 0.661 nan 8.270 nan 0.000 0.449 391 D N 1.428 121.849 120.400 0.035 0.000 2.190 391 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 391 D C 1.495 177.808 176.300 0.021 0.000 0.992 391 D CA 1.731 55.760 54.000 0.048 0.000 0.854 391 D CB -0.026 40.826 40.800 0.087 0.000 0.936 391 D HN 0.830 nan 8.370 nan 0.000 0.462 392 G N -0.282 108.526 108.800 0.012 0.000 2.572 392 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.216 392 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.216 392 G C 0.788 175.681 174.900 -0.012 0.000 1.133 392 G CA -0.163 44.939 45.100 0.003 0.000 0.791 392 G HN 0.170 nan 8.290 nan 0.000 0.538 393 M N 0.573 120.158 119.600 -0.026 0.000 2.245 393 M HA 0.125 4.605 4.480 -0.000 0.000 0.330 393 M C 1.807 178.084 176.300 -0.039 0.000 1.098 393 M CA -0.032 55.240 55.300 -0.047 0.000 1.172 393 M CB 0.823 33.374 32.600 -0.082 0.000 1.467 393 M HN -0.084 nan 8.290 nan 0.000 0.454 394 T N 2.137 116.670 114.554 -0.035 0.000 2.746 394 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 394 T C 1.496 176.208 174.700 0.020 0.000 1.039 394 T CA 1.572 63.676 62.100 0.007 0.000 1.142 394 T CB -0.415 68.465 68.868 0.019 0.000 0.866 394 T HN 0.769 nan 8.240 nan 0.000 0.444 395 I N -0.629 119.919 120.570 -0.037 0.000 3.334 395 I HA 0.250 4.420 4.170 -0.000 0.000 0.282 395 I C 1.914 177.969 176.117 -0.103 0.000 1.313 395 I CA 0.589 61.843 61.300 -0.076 0.000 1.396 395 I CB -0.306 37.589 38.000 -0.175 0.000 1.054 395 I HN 0.074 nan 8.210 nan 0.000 0.495 396 A N 0.732 123.505 122.820 -0.079 0.000 2.390 396 A HA 0.288 4.608 4.320 -0.000 0.000 0.232 396 A C 1.984 179.543 177.584 -0.042 0.000 1.233 396 A CA -0.147 51.845 52.037 -0.074 0.000 0.907 396 A CB 0.073 19.033 19.000 -0.067 0.000 0.967 396 A HN 0.398 nan 8.150 nan 0.000 0.512 397 K N -0.308 120.074 120.400 -0.030 0.000 2.424 397 K HA 0.172 4.492 4.320 -0.000 0.000 0.198 397 K C -0.323 176.266 176.600 -0.020 0.000 1.190 397 K CA 0.233 56.513 56.287 -0.012 0.000 0.935 397 K CB 0.815 33.319 32.500 0.006 0.000 1.087 397 K HN 0.383 nan 8.250 nan 0.000 0.524 398 E N 1.836 122.023 120.200 -0.021 0.000 2.166 398 E HA 0.105 4.455 4.350 -0.000 0.000 0.275 398 E C -1.059 175.402 176.600 -0.232 0.000 0.941 398 E CA -0.455 55.923 56.400 -0.037 0.000 0.784 398 E CB 1.821 31.618 29.700 0.162 0.000 1.115 398 E HN -0.052 nan 8.360 nan 0.000 0.399 399 E N 3.149 123.184 120.200 -0.276 0.000 2.229 399 E HA 0.090 4.440 4.350 -0.000 0.000 0.283 399 E C 0.176 176.409 176.600 -0.611 0.000 1.030 399 E CA -0.038 56.068 56.400 -0.490 0.000 0.836 399 E CB 0.539 29.889 29.700 -0.584 0.000 1.068 399 E HN 0.643 nan 8.360 nan 0.000 0.401 400 I N 1.308 121.476 120.570 -0.670 0.000 4.070 400 I HA 0.332 4.502 4.170 -0.000 0.000 0.328 400 I C -0.270 175.778 176.117 -0.114 0.000 1.298 400 I CA -0.339 60.645 61.300 -0.528 0.000 1.173 400 I CB -0.128 37.429 38.000 -0.739 0.000 1.051 400 I HN 0.462 nan 8.210 nan 0.000 0.409 401 F N 2.304 122.207 119.950 -0.079 0.000 2.969 401 F HA -0.135 4.392 4.527 -0.000 0.000 0.273 401 F C 0.732 176.535 175.800 0.006 0.000 0.986 401 F CA 0.474 58.476 58.000 0.002 0.000 0.926 401 F CB -1.706 37.355 39.000 0.102 0.000 0.887 401 F HN 0.467 nan 8.300 nan 0.000 0.816 402 G N -0.199 108.626 108.800 0.041 0.000 2.725 402 G HA2 0.711 4.671 3.960 -0.000 0.000 0.288 402 G HA3 0.711 4.671 3.960 -0.000 0.000 0.288 402 G C -2.897 171.974 174.900 -0.047 0.000 1.399 402 G CA -1.239 43.881 45.100 0.034 0.000 0.859 402 G HN -0.148 nan 8.290 nan 0.000 0.479 403 P HA 0.244 nan 4.420 nan 0.000 0.218 403 P C -0.601 176.666 177.300 -0.055 0.000 1.793 403 P CA -0.091 63.009 63.100 -0.000 0.000 0.941 403 P CB 0.226 32.095 31.700 0.282 0.000 1.919 404 V N 2.704 122.499 119.914 -0.197 0.000 2.349 404 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 404 V C 0.347 176.325 176.094 -0.193 0.000 1.014 404 V CA -0.695 61.547 62.300 -0.095 0.000 0.826 404 V CB 1.837 33.685 31.823 0.041 0.000 1.009 404 V HN 0.273 nan 8.190 nan 0.000 0.431 405 M N 4.187 123.677 119.600 -0.183 0.000 2.233 405 M HA 0.550 5.029 4.480 -0.000 0.000 0.355 405 M C -0.652 175.664 176.300 0.026 0.000 1.191 405 M CA -0.154 55.054 55.300 -0.154 0.000 1.101 405 M CB 1.213 33.750 32.600 -0.106 0.000 1.592 405 M HN 0.608 nan 8.290 nan 0.000 0.461 406 Q N 5.213 125.005 119.800 -0.014 0.000 2.333 406 Q HA 0.576 4.915 4.340 -0.000 0.000 0.265 406 Q C -1.326 174.662 176.000 -0.020 0.000 0.989 406 Q CA 0.027 55.840 55.803 0.016 0.000 0.842 406 Q CB 1.662 30.364 28.738 -0.061 0.000 1.262 406 Q HN 0.700 nan 8.270 nan 0.000 0.451 407 I N 3.992 124.588 120.570 0.043 0.000 2.362 407 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 407 I C -0.941 175.231 176.117 0.092 0.000 0.994 407 I CA -0.931 60.397 61.300 0.047 0.000 1.158 407 I CB 0.838 38.883 38.000 0.076 0.000 1.315 407 I HN 0.311 nan 8.210 nan 0.000 0.451 408 L N 6.412 127.629 121.223 -0.009 0.000 2.342 408 L HA 0.536 4.876 4.340 -0.000 0.000 0.271 408 L C -0.080 176.956 176.870 0.277 0.000 1.008 408 L CA -0.488 54.368 54.840 0.027 0.000 0.818 408 L CB 1.467 43.321 42.059 -0.342 0.000 1.296 408 L HN 0.466 nan 8.230 nan 0.000 0.427 409 K N 1.902 122.457 120.400 0.259 0.000 2.123 409 K HA 0.730 5.050 4.320 -0.000 0.000 0.259 409 K C -1.367 175.436 176.600 0.338 0.000 0.960 409 K CA -0.471 55.948 56.287 0.221 0.000 0.872 409 K CB 1.270 33.615 32.500 -0.258 0.000 1.079 409 K HN 0.551 nan 8.250 nan 0.000 0.440 410 F N 0.549 120.584 119.950 0.141 0.000 2.662 410 F HA 0.433 4.960 4.527 -0.000 0.000 0.312 410 F C 0.132 175.970 175.800 0.063 0.000 1.113 410 F CA -0.930 57.139 58.000 0.116 0.000 0.951 410 F CB 1.547 40.640 39.000 0.155 0.000 1.344 410 F HN 0.512 nan 8.300 nan 0.000 0.462 411 K N -0.025 120.412 120.400 0.061 0.000 2.273 411 K HA 0.221 4.541 4.320 -0.000 0.000 0.206 411 K C 0.232 176.840 176.600 0.013 0.000 1.072 411 K CA 1.032 57.277 56.287 -0.070 0.000 0.953 411 K CB 0.324 32.824 32.500 -0.001 0.000 1.043 411 K HN 0.900 nan 8.250 nan 0.000 0.477 412 T N -2.056 112.621 114.554 0.205 0.000 2.950 412 T HA 0.274 4.624 4.350 -0.000 0.000 0.288 412 T C 1.131 176.013 174.700 0.303 0.000 1.035 412 T CA -0.871 61.341 62.100 0.188 0.000 1.028 412 T CB 1.488 70.410 68.868 0.090 0.000 1.109 412 T HN 0.181 nan 8.240 nan 0.000 0.514 413 I N 0.378 121.057 120.570 0.180 0.000 2.353 413 I HA -0.070 4.100 4.170 -0.000 0.000 0.248 413 I C 2.097 178.266 176.117 0.086 0.000 1.119 413 I CA 1.402 62.780 61.300 0.130 0.000 1.417 413 I CB -0.025 37.983 38.000 0.014 0.000 1.078 413 I HN 0.767 nan 8.210 nan 0.000 0.421 414 E N 0.619 120.857 120.200 0.063 0.000 2.106 414 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 414 E C 1.949 178.575 176.600 0.042 0.000 0.984 414 E CA 1.207 57.660 56.400 0.088 0.000 0.806 414 E CB -0.217 29.519 29.700 0.059 0.000 0.750 414 E HN 0.528 nan 8.360 nan 0.000 0.458 415 E N 0.546 120.772 120.200 0.044 0.000 2.028 415 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 415 E C 2.094 178.635 176.600 -0.098 0.000 0.988 415 E CA 1.098 57.510 56.400 0.020 0.000 0.799 415 E CB -0.038 29.721 29.700 0.098 0.000 0.755 415 E HN 0.173 nan 8.360 nan 0.000 0.447 416 V N 0.576 120.360 119.914 -0.216 0.000 2.490 416 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 416 V C 2.327 178.116 176.094 -0.509 0.000 1.061 416 V CA 1.308 63.228 62.300 -0.632 0.000 1.064 416 V CB -0.003 31.049 31.823 -1.286 0.000 0.670 416 V HN 0.206 nan 8.190 nan 0.000 0.461 417 V N 0.651 120.412 119.914 -0.255 0.000 2.255 417 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 417 V C 2.666 178.652 176.094 -0.180 0.000 1.051 417 V CA 2.318 64.510 62.300 -0.180 0.000 1.018 417 V CB -1.402 30.386 31.823 -0.058 0.000 0.641 417 V HN 0.631 nan 8.190 nan 0.000 0.445 418 G N -0.550 108.170 108.800 -0.134 0.000 2.418 418 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 418 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 418 G C 1.747 176.576 174.900 -0.117 0.000 1.158 418 G CA 0.637 45.677 45.100 -0.100 0.000 0.771 418 G HN 0.448 nan 8.290 nan 0.000 0.545 419 R N 0.418 120.810 120.500 -0.180 0.000 2.090 419 R HA 0.132 4.472 4.340 -0.000 0.000 0.228 419 R C 3.003 179.194 176.300 -0.181 0.000 1.110 419 R CA 0.994 57.005 56.100 -0.149 0.000 0.973 419 R CB -0.298 29.909 30.300 -0.154 0.000 0.869 419 R HN 0.337 nan 8.270 nan 0.000 0.440 420 A N 1.589 124.169 122.820 -0.400 0.000 1.898 420 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 420 A C 1.668 179.193 177.584 -0.099 0.000 1.181 420 A CA 1.433 53.305 52.037 -0.275 0.000 0.620 420 A CB -0.349 18.431 19.000 -0.367 0.000 0.819 420 A HN 0.215 nan 8.150 nan 0.000 0.442 421 N N 0.480 119.111 118.700 -0.115 0.000 2.396 421 N HA -0.074 4.666 4.740 -0.000 0.000 0.180 421 N C 0.497 175.980 175.510 -0.044 0.000 1.028 421 N CA 0.349 53.354 53.050 -0.076 0.000 0.893 421 N CB -0.479 37.955 38.487 -0.088 0.000 0.967 421 N HN 0.389 nan 8.380 nan 0.000 0.440 422 N N 1.368 120.048 118.700 -0.033 0.000 2.744 422 N HA 0.005 4.745 4.740 -0.000 0.000 0.290 422 N C -0.922 174.594 175.510 0.010 0.000 1.206 422 N CA 0.301 53.346 53.050 -0.009 0.000 1.119 422 N CB -0.175 38.313 38.487 0.001 0.000 1.449 422 N HN 0.004 nan 8.380 nan 0.000 0.514 427 L N 0.656 121.819 121.223 -0.100 0.000 2.049 427 L HA 0.760 5.100 4.340 -0.000 0.000 0.203 427 L C 1.180 177.921 176.870 -0.216 0.000 1.074 427 L CA 2.375 57.106 54.840 -0.182 0.000 0.749 427 L CB -0.083 41.939 42.059 -0.062 0.000 0.907 427 L HN 0.541 nan 8.230 nan 0.000 0.439 428 A N -2.039 120.736 122.820 -0.075 0.000 2.593 428 A HA 0.904 5.224 4.320 -0.000 0.000 0.290 428 A C -1.409 176.170 177.584 -0.009 0.000 1.126 428 A CA -0.081 51.879 52.037 -0.128 0.000 0.695 428 A CB 1.115 20.103 19.000 -0.020 0.000 1.290 428 A HN 0.540 nan 8.150 nan 0.000 0.414 429 A N -1.092 121.703 122.820 -0.042 0.000 2.597 429 A HA 0.968 5.288 4.320 -0.000 0.000 0.292 429 A C -0.717 176.987 177.584 0.201 0.000 1.057 429 A CA 0.121 52.233 52.037 0.125 0.000 0.674 429 A CB 0.614 19.630 19.000 0.026 0.000 1.278 429 A HN 2.670 nan 8.150 nan 0.000 0.416 430 A N -0.130 122.915 122.820 0.375 0.000 2.572 430 A HA 0.824 5.144 4.320 -0.000 0.000 0.295 430 A C -1.471 176.339 177.584 0.376 0.000 1.072 430 A CA -0.513 51.799 52.037 0.458 0.000 0.691 430 A CB 1.613 21.130 19.000 0.862 0.000 1.291 430 A HN 1.799 nan 8.150 nan 0.000 0.404 431 V N 0.944 121.026 119.914 0.280 0.000 2.686 431 V HA 0.576 4.696 4.120 -0.000 0.000 0.306 431 V C -1.603 174.576 176.094 0.140 0.000 1.065 431 V CA -0.284 62.161 62.300 0.242 0.000 0.894 431 V CB 1.594 33.492 31.823 0.124 0.000 1.004 431 V HN 0.717 nan 8.190 nan 0.000 0.424 432 F N 2.717 122.778 119.950 0.184 0.000 2.403 432 F HA 0.772 5.299 4.527 -0.000 0.000 0.355 432 F C 0.315 176.220 175.800 0.175 0.000 1.119 432 F CA -0.212 57.907 58.000 0.198 0.000 1.007 432 F CB 2.036 41.157 39.000 0.201 0.000 1.194 432 F HN 0.528 nan 8.300 nan 0.000 0.443 433 T N 1.927 116.611 114.554 0.216 0.000 2.830 433 T HA 0.304 4.654 4.350 -0.000 0.000 0.322 433 T C -0.018 174.758 174.700 0.126 0.000 1.501 433 T CA -0.688 61.517 62.100 0.175 0.000 1.036 433 T CB 1.501 70.455 68.868 0.143 0.000 1.379 433 T HN 0.634 nan 8.240 nan 0.000 0.493 434 K N 0.713 121.178 120.400 0.109 0.000 2.358 434 K HA 0.204 4.524 4.320 -0.000 0.000 0.197 434 K C -0.279 176.355 176.600 0.057 0.000 1.025 434 K CA -0.109 56.224 56.287 0.077 0.000 1.104 434 K CB 0.326 32.870 32.500 0.074 0.000 0.855 434 K HN 0.506 nan 8.250 nan 0.000 0.531 435 D N 0.837 121.274 120.400 0.062 0.000 2.249 435 D HA 0.040 4.680 4.640 -0.000 0.000 0.246 435 D C 0.810 177.137 176.300 0.046 0.000 1.114 435 D CA -0.320 53.709 54.000 0.048 0.000 0.854 435 D CB 1.138 41.966 40.800 0.047 0.000 1.132 435 D HN -0.170 nan 8.370 nan 0.000 0.461 436 L N 4.000 125.245 121.223 0.036 0.000 1.994 436 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 436 L C 1.311 178.207 176.870 0.044 0.000 1.071 436 L CA 1.912 56.773 54.840 0.034 0.000 0.745 436 L CB -0.465 41.609 42.059 0.026 0.000 0.892 436 L HN 0.522 nan 8.230 nan 0.000 0.431 437 D N -0.284 120.141 120.400 0.042 0.000 2.123 437 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 437 D C 2.188 178.537 176.300 0.081 0.000 0.992 437 D CA 1.359 55.390 54.000 0.053 0.000 0.833 437 D CB -0.061 40.757 40.800 0.029 0.000 0.954 437 D HN 0.398 nan 8.370 nan 0.000 0.455 438 K N 0.584 121.022 120.400 0.063 0.000 2.026 438 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 438 K C 2.167 178.846 176.600 0.132 0.000 1.048 438 K CA 1.203 57.544 56.287 0.089 0.000 0.929 438 K CB -0.118 32.425 32.500 0.072 0.000 0.713 438 K HN 0.027 nan 8.250 nan 0.000 0.439 439 A N 2.041 124.917 122.820 0.093 0.000 1.883 439 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 439 A C 1.843 179.466 177.584 0.066 0.000 1.186 439 A CA 1.779 53.859 52.037 0.072 0.000 0.624 439 A CB -0.501 18.526 19.000 0.046 0.000 0.822 439 A HN 0.234 nan 8.150 nan 0.000 0.444 440 N N -1.689 117.054 118.700 0.071 0.000 2.216 440 N HA -0.127 4.612 4.740 -0.000 0.000 0.183 440 N C 1.569 177.120 175.510 0.069 0.000 1.017 440 N CA 1.531 54.612 53.050 0.053 0.000 0.861 440 N CB -0.577 37.939 38.487 0.048 0.000 0.986 440 N HN 0.686 nan 8.380 nan 0.000 0.428 441 Y N 1.571 121.866 120.300 -0.008 0.000 2.145 441 Y HA -0.069 4.481 4.550 -0.000 0.000 0.286 441 Y C 2.166 178.053 175.900 -0.023 0.000 1.145 441 Y CA 1.406 59.499 58.100 -0.012 0.000 1.148 441 Y CB -0.364 38.094 38.460 -0.004 0.000 0.981 441 Y HN -0.053 nan 8.280 nan 0.000 0.507 442 L N -0.267 121.030 121.223 0.123 0.000 2.056 442 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 442 L C 2.763 179.588 176.870 -0.075 0.000 1.078 442 L CA 1.496 56.341 54.840 0.010 0.000 0.749 442 L CB -0.804 41.311 42.059 0.093 0.000 0.901 442 L HN 0.379 nan 8.230 nan 0.000 0.433 443 S N -0.843 114.829 115.700 -0.047 0.000 2.399 443 S HA -0.294 4.176 4.470 -0.000 0.000 0.231 443 S C 1.891 176.423 174.600 -0.113 0.000 1.022 443 S CA 1.444 59.599 58.200 -0.075 0.000 0.983 443 S CB -0.310 62.857 63.200 -0.054 0.000 0.803 443 S HN 0.521 nan 8.310 nan 0.000 0.480 444 Q N 0.905 120.625 119.800 -0.132 0.000 2.163 444 Q HA 0.228 4.568 4.340 -0.000 0.000 0.198 444 Q C 2.199 178.078 176.000 -0.203 0.000 0.954 444 Q CA 0.867 56.578 55.803 -0.154 0.000 0.851 444 Q CB -0.460 28.194 28.738 -0.140 0.000 0.928 444 Q HN 0.675 nan 8.270 nan 0.000 0.459 445 A N 0.794 123.440 122.820 -0.290 0.000 1.897 445 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 445 A C 0.902 178.362 177.584 -0.206 0.000 1.181 445 A CA 0.282 52.132 52.037 -0.312 0.000 0.620 445 A CB -0.509 18.186 19.000 -0.508 0.000 0.821 445 A HN 0.384 nan 8.150 nan 0.000 0.443 446 L N 1.103 122.221 121.223 -0.173 0.000 2.534 446 L HA 0.005 4.345 4.340 -0.000 0.000 0.271 446 L C 0.049 176.839 176.870 -0.133 0.000 1.178 446 L CA -0.052 54.706 54.840 -0.137 0.000 0.907 446 L CB 0.298 42.290 42.059 -0.112 0.000 1.164 446 L HN 0.433 nan 8.230 nan 0.000 0.482 447 Q N 3.873 123.601 119.800 -0.119 0.000 2.844 447 Q HA 0.501 4.841 4.340 -0.000 0.000 0.235 447 Q C -0.313 175.617 176.000 -0.117 0.000 1.336 447 Q CA -0.265 55.469 55.803 -0.114 0.000 1.026 447 Q CB 0.762 29.442 28.738 -0.097 0.000 1.513 447 Q HN 0.700 nan 8.270 nan 0.000 0.577 448 A N -0.182 122.551 122.820 -0.144 0.000 2.539 448 A HA 0.695 5.015 4.320 -0.000 0.000 0.296 448 A C 0.895 178.342 177.584 -0.228 0.000 1.073 448 A CA -0.432 51.502 52.037 -0.171 0.000 0.700 448 A CB 1.203 20.106 19.000 -0.162 0.000 1.296 448 A HN 0.542 nan 8.150 nan 0.000 0.405 449 G N -0.122 108.511 108.800 -0.278 0.000 2.432 449 G HA2 0.273 4.233 3.960 -0.000 0.000 0.219 449 G HA3 0.273 4.233 3.960 -0.000 0.000 0.219 449 G C 0.504 175.179 174.900 -0.375 0.000 1.135 449 G CA 1.679 46.578 45.100 -0.335 0.000 0.767 449 G HN 0.821 nan 8.290 nan 0.000 0.550 450 T N -0.329 113.959 114.554 -0.444 0.000 2.881 450 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 450 T C -1.153 173.144 174.700 -0.672 0.000 1.000 450 T CA -0.394 61.350 62.100 -0.593 0.000 0.978 450 T CB 2.713 71.116 68.868 -0.776 0.000 0.997 450 T HN -0.097 nan 8.240 nan 0.000 0.443 451 V N 3.833 123.399 119.914 -0.580 0.000 2.407 451 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 451 V C -0.743 175.132 176.094 -0.365 0.000 1.018 451 V CA -1.022 61.040 62.300 -0.398 0.000 0.842 451 V CB 1.292 32.987 31.823 -0.212 0.000 0.996 451 V HN 0.767 nan 8.190 nan 0.000 0.426 452 W N 3.482 124.711 121.300 -0.118 0.000 2.438 452 W HA 0.654 5.314 4.660 -0.000 0.000 0.324 452 W C -0.570 175.883 176.519 -0.109 0.000 1.119 452 W CA -0.734 56.533 57.345 -0.129 0.000 1.221 452 W CB 1.908 31.263 29.460 -0.175 0.000 1.253 452 W HN 0.265 nan 8.180 nan 0.000 0.555 453 V N 4.537 124.503 119.914 0.085 0.000 2.378 453 V HA 0.134 4.254 4.120 -0.000 0.000 0.288 453 V C 0.176 176.154 176.094 -0.192 0.000 1.016 453 V CA -0.924 61.338 62.300 -0.064 0.000 0.840 453 V CB 1.024 32.833 31.823 -0.024 0.000 0.994 453 V HN 0.681 nan 8.190 nan 0.000 0.431 454 N N 2.044 120.370 118.700 -0.623 0.000 2.741 454 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 454 N C -0.256 175.138 175.510 -0.195 0.000 1.115 454 N CA 1.287 53.901 53.050 -0.726 0.000 0.724 454 N CB -1.125 37.309 38.487 -0.089 0.000 1.090 454 N HN 1.057 nan 8.380 nan 0.000 0.558 455 C N -4.082 115.068 119.300 -0.250 0.000 3.284 455 C HA 0.815 5.275 4.460 -0.000 0.000 0.348 455 C C -1.108 173.961 174.990 0.131 0.000 1.448 455 C CA -1.321 57.772 59.018 0.124 0.000 1.223 455 C CB 1.851 29.634 27.740 0.073 0.000 1.588 455 C HN 0.277 nan 8.230 nan 0.000 0.451 456 Y N -0.057 120.063 120.300 -0.300 0.000 2.558 456 Y HA 0.457 5.007 4.550 -0.000 0.000 0.333 456 Y C -0.379 174.892 175.900 -1.048 0.000 1.125 456 Y CA 0.386 58.072 58.100 -0.689 0.000 1.039 456 Y CB 1.307 39.715 38.460 -0.086 0.000 1.331 456 Y HN 1.025 nan 8.280 nan 0.000 0.456 457 D N 2.010 121.100 120.400 -2.184 0.000 2.837 457 D HA -0.137 4.503 4.640 -0.000 0.000 0.230 457 D C -0.912 174.866 176.300 -0.870 0.000 1.152 457 D CA 0.996 54.309 54.000 -1.146 0.000 0.736 457 D CB -1.070 39.700 40.800 -0.050 0.000 1.084 457 D HN 0.161 nan 8.370 nan 0.000 0.429 458 V N 1.524 120.730 119.914 -1.181 0.000 2.322 458 V HA 0.298 4.418 4.120 -0.000 0.000 0.258 458 V C 0.532 176.492 176.094 -0.224 0.000 1.074 458 V CA -0.223 61.822 62.300 -0.426 0.000 0.909 458 V CB -0.186 31.486 31.823 -0.251 0.000 1.090 458 V HN -0.013 nan 8.190 nan 0.000 0.486 459 F N 2.136 122.146 119.950 0.099 0.000 2.483 459 F HA 0.848 5.375 4.527 -0.000 0.000 0.329 459 F C 0.865 176.692 175.800 0.045 0.000 1.064 459 F CA -0.525 57.529 58.000 0.091 0.000 0.986 459 F CB 1.984 41.008 39.000 0.041 0.000 1.218 459 F HN 0.473 nan 8.300 nan 0.000 0.484 460 G N -0.371 108.543 108.800 0.190 0.000 2.682 460 G HA2 0.510 4.470 3.960 -0.000 0.000 0.300 460 G HA3 0.510 4.470 3.960 -0.000 0.000 0.300 460 G C -0.010 174.862 174.900 -0.047 0.000 1.391 460 G CA -0.354 44.778 45.100 0.053 0.000 0.990 460 G HN 0.863 nan 8.290 nan 0.000 0.501 461 A N 1.004 123.735 122.820 -0.148 0.000 2.024 461 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 461 A C 2.179 179.279 177.584 -0.806 0.000 1.164 461 A CA 2.087 53.918 52.037 -0.343 0.000 0.643 461 A CB -0.171 18.621 19.000 -0.346 0.000 0.806 461 A HN 0.654 nan 8.150 nan 0.000 0.451 462 Q N -0.387 118.970 119.800 -0.740 0.000 2.389 462 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 462 Q C 0.163 176.104 176.000 -0.099 0.000 0.944 462 Q CA 0.596 56.077 55.803 -0.535 0.000 0.908 462 Q CB -0.456 28.137 28.738 -0.242 0.000 1.002 462 Q HN 0.380 nan 8.270 nan 0.000 0.493 463 S N 3.275 118.934 115.700 -0.068 0.000 2.480 463 S HA 0.455 4.925 4.470 -0.000 0.000 0.286 463 S C -2.385 172.221 174.600 0.009 0.000 1.180 463 S CA -1.133 57.071 58.200 0.008 0.000 1.075 463 S CB 1.389 64.601 63.200 0.020 0.000 0.996 463 S HN 0.096 nan 8.310 nan 0.000 0.487 464 P HA 0.325 nan 4.420 nan 0.000 0.269 464 P C -0.837 176.462 177.300 -0.002 0.000 1.215 464 P CA -0.103 62.954 63.100 -0.071 0.000 0.780 464 P CB 0.394 31.889 31.700 -0.342 0.000 0.898 477 L N 0.949 122.189 121.223 0.029 0.000 0.587 477 L HA -0.218 4.122 4.340 -0.000 0.000 0.356 477 L C 0.787 177.769 176.870 0.187 0.000 0.981 477 L CA 1.142 56.039 54.840 0.095 0.000 1.223 477 L CB -1.309 40.650 42.059 -0.167 0.000 0.020 477 L HN 1.139 nan 8.230 nan 0.000 0.091 478 G N 0.020 108.904 108.800 0.141 0.000 2.749 478 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 478 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 478 G C 0.407 175.478 174.900 0.285 0.000 1.364 478 G CA 0.868 46.131 45.100 0.272 0.000 0.888 478 G HN 1.140 nan 8.290 nan 0.000 0.566 479 E N -1.038 119.270 120.200 0.180 0.000 2.204 479 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 479 E C 2.115 178.512 176.600 -0.338 0.000 0.989 479 E CA 1.556 57.727 56.400 -0.381 0.000 0.824 479 E CB -0.133 29.360 29.700 -0.344 0.000 0.756 479 E HN 0.623 nan 8.360 nan 0.000 0.477 480 Y N -0.262 119.980 120.300 -0.097 0.000 2.333 480 Y HA -0.031 4.519 4.550 -0.000 0.000 0.290 480 Y C 2.418 178.274 175.900 -0.074 0.000 1.144 480 Y CA 1.044 59.100 58.100 -0.073 0.000 1.228 480 Y CB -0.666 37.773 38.460 -0.035 0.000 0.985 480 Y HN 0.140 nan 8.280 nan 0.000 0.542 481 G N -0.098 108.780 108.800 0.131 0.000 2.470 481 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 481 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 481 G C 1.533 176.465 174.900 0.054 0.000 1.121 481 G CA 0.724 45.896 45.100 0.121 0.000 0.766 481 G HN 0.396 nan 8.290 nan 0.000 0.553 482 L N -0.366 120.757 121.223 -0.166 0.000 2.179 482 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 482 L C 3.026 179.777 176.870 -0.197 0.000 1.096 482 L CA 0.609 55.236 54.840 -0.355 0.000 0.779 482 L CB -0.423 40.970 42.059 -1.110 0.000 0.922 482 L HN 0.252 nan 8.230 nan 0.000 0.443 483 Q N 0.451 120.174 119.800 -0.127 0.000 2.096 483 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 483 Q C 2.403 178.376 176.000 -0.044 0.000 0.982 483 Q CA 1.761 57.552 55.803 -0.020 0.000 0.850 483 Q CB -0.356 28.380 28.738 -0.004 0.000 0.901 483 Q HN 0.567 nan 8.270 nan 0.000 0.422 484 A N -0.165 122.607 122.820 -0.080 0.000 2.067 484 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 484 A C 1.011 178.367 177.584 -0.380 0.000 1.158 484 A CA 0.841 52.741 52.037 -0.228 0.000 0.661 484 A CB -0.306 18.512 19.000 -0.304 0.000 0.801 484 A HN 0.409 nan 8.150 nan 0.000 0.452 485 Y N 0.462 120.730 120.300 -0.055 0.000 2.524 485 Y HA 0.181 4.731 4.550 -0.000 0.000 0.266 485 Y C 0.897 176.803 175.900 0.009 0.000 1.180 485 Y CA 0.428 58.508 58.100 -0.033 0.000 1.244 485 Y CB 0.351 38.779 38.460 -0.054 0.000 1.125 485 Y HN 0.311 nan 8.280 nan 0.000 0.524 486 T N -2.673 111.937 114.554 0.094 0.000 2.906 486 T HA 0.564 4.914 4.350 -0.000 0.000 0.295 486 T C -0.825 173.893 174.700 0.029 0.000 1.061 486 T CA -1.138 61.024 62.100 0.103 0.000 1.000 486 T CB 2.652 71.612 68.868 0.154 0.000 1.103 486 T HN -0.097 nan 8.240 nan 0.000 0.486 487 K N 1.256 121.691 120.400 0.058 0.000 2.164 487 K HA 0.668 4.988 4.320 -0.000 0.000 0.258 487 K C -1.070 175.560 176.600 0.050 0.000 0.951 487 K CA -0.943 55.367 56.287 0.038 0.000 0.844 487 K CB 2.181 34.720 32.500 0.065 0.000 1.099 487 K HN 0.458 nan 8.250 nan 0.000 0.435 488 V N 3.506 123.437 119.914 0.029 0.000 2.370 488 V HA 0.260 4.380 4.120 -0.000 0.000 0.279 488 V C -0.214 175.905 176.094 0.043 0.000 1.029 488 V CA -0.632 61.710 62.300 0.070 0.000 0.870 488 V CB 1.147 32.993 31.823 0.039 0.000 0.984 488 V HN 0.643 nan 8.190 nan 0.000 0.451 489 K N 3.292 123.720 120.400 0.047 0.000 2.274 489 K HA 0.581 4.901 4.320 -0.000 0.000 0.262 489 K C -0.676 175.882 176.600 -0.070 0.000 0.961 489 K CA -0.337 55.945 56.287 -0.008 0.000 0.833 489 K CB 1.569 34.072 32.500 0.005 0.000 1.102 489 K HN 0.688 nan 8.250 nan 0.000 0.436 490 T N 2.793 117.275 114.554 -0.121 0.000 2.794 490 T HA 0.342 4.692 4.350 -0.000 0.000 0.280 490 T C -0.852 173.659 174.700 -0.316 0.000 0.987 490 T CA -0.591 61.380 62.100 -0.216 0.000 0.993 490 T CB 1.414 70.182 68.868 -0.168 0.000 0.939 490 T HN 0.304 nan 8.240 nan 0.000 0.449 491 V N 3.716 123.281 119.914 -0.583 0.000 2.444 491 V HA 0.479 4.599 4.120 -0.000 0.000 0.294 491 V C -0.080 175.643 176.094 -0.619 0.000 1.022 491 V CA -0.699 61.222 62.300 -0.632 0.000 0.850 491 V CB 1.904 33.191 31.823 -0.893 0.000 0.992 491 V HN 1.000 nan 8.190 nan 0.000 0.426 492 T N 4.610 118.969 114.554 -0.324 0.000 2.815 492 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 492 T C -0.398 174.281 174.700 -0.036 0.000 1.000 492 T CA -0.377 61.601 62.100 -0.204 0.000 0.958 492 T CB 1.459 70.207 68.868 -0.200 0.000 0.944 492 T HN 0.310 nan 8.240 nan 0.000 0.442 493 V N 3.919 123.880 119.914 0.078 0.000 2.435 493 V HA 0.438 4.558 4.120 -0.000 0.000 0.290 493 V C 0.417 176.697 176.094 0.312 0.000 1.030 493 V CA -1.092 61.326 62.300 0.198 0.000 0.881 493 V CB 1.728 33.702 31.823 0.253 0.000 0.983 493 V HN 0.741 nan 8.190 nan 0.000 0.445 494 K N 4.247 124.803 120.400 0.261 0.000 2.322 494 K HA 0.512 4.832 4.320 -0.000 0.000 0.283 494 K C -0.576 176.038 176.600 0.024 0.000 1.042 494 K CA -0.228 56.126 56.287 0.112 0.000 0.958 494 K CB 1.105 33.653 32.500 0.080 0.000 0.984 494 K HN 0.659 nan 8.250 nan 0.000 0.473 495 V N 1.808 121.676 119.914 -0.076 0.000 3.001 495 V HA 0.424 4.544 4.120 -0.000 0.000 0.314 495 V C -2.127 173.909 176.094 -0.097 0.000 1.099 495 V CA -2.004 60.273 62.300 -0.038 0.000 0.989 495 V CB 1.192 33.024 31.823 0.015 0.000 1.040 495 V HN 0.673 nan 8.190 nan 0.000 0.434 496 P HA -0.136 nan 4.420 nan 0.000 0.203 496 P C -0.105 177.146 177.300 -0.081 0.000 1.087 496 P CA 1.387 64.448 63.100 -0.066 0.000 0.952 496 P CB 0.101 31.774 31.700 -0.046 0.000 0.758 497 Q N -0.702 119.058 119.800 -0.066 0.000 2.294 497 Q HA 0.193 4.533 4.340 -0.000 0.000 0.264 497 Q C -0.870 175.101 176.000 -0.049 0.000 0.992 497 Q CA -0.724 55.042 55.803 -0.062 0.000 0.747 497 Q CB 1.087 29.797 28.738 -0.046 0.000 1.262 497 Q HN -0.089 nan 8.270 nan 0.000 0.452 498 K N 3.637 124.010 120.400 -0.046 0.000 2.350 498 K HA 0.206 4.526 4.320 -0.000 0.000 0.279 498 K C -0.857 175.737 176.600 -0.010 0.000 1.027 498 K CA 0.227 56.504 56.287 -0.017 0.000 0.969 498 K CB 0.601 33.106 32.500 0.008 0.000 0.954 498 K HN 0.623 nan 8.250 nan 0.000 0.474 499 N N 1.110 119.806 118.700 -0.007 0.000 2.284 499 N HA 0.116 4.856 4.740 -0.000 0.000 0.289 499 N C -0.833 174.677 175.510 0.001 0.000 1.179 499 N CA -0.542 52.504 53.050 -0.006 0.000 0.774 499 N CB 1.976 40.454 38.487 -0.016 0.000 1.548 499 N HN 0.732 nan 8.380 nan 0.000 0.473 500 S N 0.000 115.702 115.700 0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.205 58.200 0.008 0.000 1.107 500 S CB 0.000 63.205 63.200 0.008 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517