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_E 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 XXXXXXKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSXXG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYXXXXXXRE 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 0.000 177.576 177.584 -0.013 0.000 1.274 7 A CA 0.000 52.056 52.037 0.032 0.000 0.836 7 A CB 0.000 19.036 19.000 0.060 0.000 0.831 8 V N 2.373 122.235 119.914 -0.087 0.000 2.347 8 V HA 0.644 4.764 4.120 -0.000 0.000 0.280 8 V C -2.229 173.749 176.094 -0.192 0.000 1.021 8 V CA -1.776 60.340 62.300 -0.306 0.000 0.847 8 V CB 1.049 32.691 31.823 -0.303 0.000 0.990 8 V HN 0.616 nan 8.190 nan 0.000 0.444 9 P HA 0.306 nan 4.420 nan 0.000 0.269 9 P C -0.522 176.784 177.300 0.009 0.000 1.209 9 P CA -0.071 62.992 63.100 -0.062 0.000 0.776 9 P CB 0.548 32.238 31.700 -0.017 0.000 0.876 10 A N 3.945 126.764 122.820 -0.001 0.000 2.450 10 A HA 0.440 4.760 4.320 -0.000 0.000 0.255 10 A C -1.700 175.825 177.584 -0.098 0.000 1.096 10 A CA -0.759 51.254 52.037 -0.040 0.000 0.778 10 A CB -0.836 18.136 19.000 -0.047 0.000 1.031 10 A HN 0.460 nan 8.150 nan 0.000 0.494 11 P HA 0.245 nan 4.420 nan 0.000 0.280 11 P C -1.021 176.079 177.300 -0.332 0.000 1.272 11 P CA -0.800 62.078 63.100 -0.369 0.000 0.819 11 P CB 0.891 32.028 31.700 -0.939 0.000 1.122 12 N N 0.685 119.218 118.700 -0.277 0.000 2.457 12 N HA 0.063 4.803 4.740 -0.000 0.000 0.250 12 N C 0.744 175.957 175.510 -0.495 0.000 0.982 12 N CA -0.051 52.837 53.050 -0.271 0.000 0.941 12 N CB 0.607 39.030 38.487 -0.107 0.000 1.120 12 N HN 0.233 nan 8.380 nan 0.000 0.505 13 Q N 1.733 121.103 119.800 -0.718 0.000 2.500 13 Q HA -0.034 4.306 4.340 -0.000 0.000 0.213 13 Q C -0.227 175.389 176.000 -0.640 0.000 0.974 13 Q CA 0.900 55.963 55.803 -1.233 0.000 0.918 13 Q CB 0.249 28.352 28.738 -1.057 0.000 0.980 13 Q HN 0.624 nan 8.270 nan 0.000 0.505 14 Q N 1.153 120.742 119.800 -0.352 0.000 3.075 14 Q HA 0.238 4.578 4.340 -0.000 0.000 0.318 14 Q C -2.437 173.484 176.000 -0.131 0.000 0.907 14 Q CA -1.505 54.185 55.803 -0.187 0.000 0.882 14 Q CB 1.223 29.872 28.738 -0.149 0.000 1.386 14 Q HN 0.124 nan 8.270 nan 0.000 0.408 15 P HA -0.087 nan 4.420 nan 0.000 0.268 15 P C -0.330 176.947 177.300 -0.039 0.000 1.204 15 P CA 0.170 63.245 63.100 -0.042 0.000 0.768 15 P CB 0.953 32.554 31.700 -0.165 0.000 0.842 16 E N 2.030 122.216 120.200 -0.023 0.000 2.373 16 E HA 0.194 4.544 4.350 -0.000 0.000 0.267 16 E C -0.829 175.575 176.600 -0.325 0.000 1.032 16 E CA -0.654 55.592 56.400 -0.256 0.000 0.889 16 E CB 0.675 30.099 29.700 -0.460 0.000 0.984 16 E HN 0.144 nan 8.360 nan 0.000 0.425 17 V N 6.043 125.749 119.914 -0.346 0.000 2.407 17 V HA 0.118 4.238 4.120 -0.000 0.000 0.278 17 V C 0.061 175.943 176.094 -0.355 0.000 1.037 17 V CA -0.045 62.129 62.300 -0.211 0.000 0.900 17 V CB 0.798 32.545 31.823 -0.127 0.000 0.983 17 V HN 0.730 nan 8.190 nan 0.000 0.459 18 F N 1.719 121.700 119.950 0.052 0.000 2.694 18 F HA 0.256 4.783 4.527 -0.000 0.000 0.292 18 F C 0.918 176.612 175.800 -0.176 0.000 1.121 18 F CA -0.026 57.963 58.000 -0.018 0.000 1.352 18 F CB 0.446 39.490 39.000 0.073 0.000 1.107 18 F HN 0.383 nan 8.300 nan 0.000 0.597 19 C N 1.887 121.169 119.300 -0.030 0.000 2.364 19 C HA 0.435 4.894 4.460 -0.000 0.000 0.324 19 C C 0.206 174.995 174.990 -0.335 0.000 1.234 19 C CA -0.865 57.871 59.018 -0.470 0.000 1.417 19 C CB 0.531 27.961 27.740 -0.518 0.000 2.101 19 C HN 0.521 nan 8.230 nan 0.000 0.466 20 N N 1.146 119.614 118.700 -0.386 0.000 2.381 20 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 20 N C -0.457 174.982 175.510 -0.119 0.000 1.409 20 N CA -0.264 52.666 53.050 -0.200 0.000 0.836 20 N CB 0.046 38.426 38.487 -0.178 0.000 1.384 20 N HN 0.792 nan 8.380 nan 0.000 0.490 21 Q N -0.314 119.461 119.800 -0.042 0.000 3.105 21 Q HA 0.552 4.892 4.340 -0.000 0.000 0.280 21 Q C -0.446 175.855 176.000 0.501 0.000 1.042 21 Q CA -1.026 54.910 55.803 0.222 0.000 0.857 21 Q CB 1.549 30.457 28.738 0.283 0.000 1.468 21 Q HN 0.035 nan 8.270 nan 0.000 0.494 22 I N 1.425 122.265 120.570 0.450 0.000 2.395 22 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 22 I C -0.551 175.794 176.117 0.379 0.000 1.023 22 I CA 0.101 61.615 61.300 0.357 0.000 1.350 22 I CB -0.002 38.115 38.000 0.195 0.000 1.409 22 I HN 0.483 nan 8.210 nan 0.000 0.507 23 F N 7.899 127.840 119.950 -0.015 0.000 2.361 23 F HA 0.591 5.117 4.527 -0.000 0.000 0.364 23 F C -0.412 175.232 175.800 -0.260 0.000 1.117 23 F CA -0.425 57.320 58.000 -0.425 0.000 1.071 23 F CB 0.530 39.120 39.000 -0.684 0.000 1.188 23 F HN 0.238 nan 8.300 nan 0.000 0.464 24 I N 5.622 125.857 120.570 -0.557 0.000 2.607 24 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 24 I C -0.455 175.355 176.117 -0.510 0.000 1.129 24 I CA -1.016 60.005 61.300 -0.465 0.000 1.042 24 I CB 1.827 39.559 38.000 -0.448 0.000 1.242 24 I HN 0.502 nan 8.210 nan 0.000 0.421 25 N N 4.762 123.201 118.700 -0.434 0.000 2.725 25 N HA -0.211 4.528 4.740 -0.000 0.000 0.251 25 N C -0.031 175.206 175.510 -0.455 0.000 1.031 25 N CA 0.808 53.660 53.050 -0.330 0.000 0.720 25 N CB -0.908 37.469 38.487 -0.183 0.000 0.930 25 N HN 0.781 nan 8.380 nan 0.000 0.543 26 N N -1.242 116.956 118.700 -0.837 0.000 2.714 26 N HA -0.220 4.520 4.740 -0.000 0.000 0.250 26 N C -0.671 174.389 175.510 -0.749 0.000 1.117 26 N CA 1.641 54.183 53.050 -0.847 0.000 0.719 26 N CB -0.707 37.641 38.487 -0.232 0.000 1.081 26 N HN 0.718 nan 8.380 nan 0.000 0.557 27 E N -1.436 118.241 120.200 -0.871 0.000 2.343 27 E HA 0.396 4.745 4.350 -0.000 0.000 0.270 27 E C -0.615 175.657 176.600 -0.545 0.000 0.895 27 E CA -0.716 55.377 56.400 -0.513 0.000 0.767 27 E CB 1.121 30.672 29.700 -0.247 0.000 1.248 27 E HN 0.111 nan 8.360 nan 0.000 0.440 28 W N 1.751 122.985 121.300 -0.109 0.000 2.390 28 W HA 0.304 4.964 4.660 -0.000 0.000 0.312 28 W C 0.352 176.760 176.519 -0.185 0.000 1.123 28 W CA -0.286 57.061 57.345 0.004 0.000 1.202 28 W CB 0.876 30.366 29.460 0.051 0.000 1.251 28 W HN 0.281 nan 8.180 nan 0.000 0.511 29 H N 1.744 120.965 119.070 0.251 0.000 2.768 29 H HA 0.212 4.767 4.556 -0.000 0.000 0.371 29 H C -0.702 174.709 175.328 0.139 0.000 1.151 29 H CA -1.001 55.128 56.048 0.136 0.000 1.165 29 H CB 2.034 31.828 29.762 0.054 0.000 1.722 29 H HN 0.229 nan 8.280 nan 0.000 0.543 30 D N 0.692 121.209 120.400 0.195 0.000 2.354 30 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 30 D C 0.353 176.729 176.300 0.127 0.000 1.138 30 D CA -0.374 53.703 54.000 0.128 0.000 0.958 30 D CB 1.223 42.069 40.800 0.078 0.000 1.144 30 D HN 0.604 nan 8.370 nan 0.000 0.458 31 A N 0.746 123.620 122.820 0.089 0.000 2.466 31 A HA 0.091 4.411 4.320 -0.000 0.000 0.238 31 A C 1.545 179.165 177.584 0.061 0.000 1.074 31 A CA -0.418 51.661 52.037 0.070 0.000 0.774 31 A CB 0.298 19.329 19.000 0.053 0.000 1.015 31 A HN 0.417 nan 8.150 nan 0.000 0.498 32 V N 2.098 122.042 119.914 0.049 0.000 2.469 32 V HA -0.237 3.882 4.120 -0.000 0.000 0.251 32 V C 2.673 178.791 176.094 0.039 0.000 1.064 32 V CA 2.724 65.049 62.300 0.042 0.000 1.066 32 V CB -0.836 31.006 31.823 0.031 0.000 0.667 32 V HN 1.118 nan 8.190 nan 0.000 0.461 33 S N -0.817 114.906 115.700 0.038 0.000 2.496 33 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 33 S C 1.278 175.901 174.600 0.038 0.000 0.996 33 S CA 0.518 58.740 58.200 0.037 0.000 0.927 33 S CB -0.174 63.048 63.200 0.038 0.000 0.774 33 S HN 0.600 nan 8.310 nan 0.000 0.524 34 R N -0.182 120.343 120.500 0.040 0.000 3.954 34 R HA -0.123 4.217 4.340 -0.000 0.000 0.422 34 R C -0.585 175.736 176.300 0.035 0.000 1.091 34 R CA 1.211 57.333 56.100 0.037 0.000 1.168 34 R CB -2.018 28.301 30.300 0.032 0.000 1.752 34 R HN 0.488 nan 8.270 nan 0.000 0.547 35 K N 1.279 121.704 120.400 0.041 0.000 2.219 35 K HA 0.272 4.592 4.320 -0.000 0.000 0.258 35 K C 0.668 177.296 176.600 0.046 0.000 1.008 35 K CA 0.749 57.066 56.287 0.051 0.000 0.928 35 K CB 0.813 33.352 32.500 0.064 0.000 0.983 35 K HN 0.202 nan 8.250 nan 0.000 0.484 36 T N -1.202 113.386 114.554 0.056 0.000 2.883 36 T HA 0.652 5.002 4.350 -0.000 0.000 0.301 36 T C -0.962 173.808 174.700 0.116 0.000 1.158 36 T CA -1.061 61.048 62.100 0.014 0.000 1.007 36 T CB 0.722 69.558 68.868 -0.052 0.000 1.186 36 T HN 0.463 nan 8.240 nan 0.000 0.499 37 F N -0.428 119.527 119.950 0.008 0.000 2.577 37 F HA 0.902 5.429 4.527 -0.000 0.000 0.318 37 F C -3.080 172.760 175.800 0.068 0.000 1.065 37 F CA -3.000 55.048 58.000 0.081 0.000 0.929 37 F CB 1.544 40.640 39.000 0.160 0.000 1.237 37 F HN 0.424 nan 8.300 nan 0.000 0.468 38 P HA 0.184 nan 4.420 nan 0.000 0.288 38 P C -0.942 176.485 177.300 0.211 0.000 1.267 38 P CA -0.165 63.005 63.100 0.117 0.000 0.815 38 P CB 1.947 33.712 31.700 0.108 0.000 0.989 39 T N 1.904 116.506 114.554 0.080 0.000 2.794 39 T HA 0.397 4.747 4.350 -0.000 0.000 0.280 39 T C -0.546 174.188 174.700 0.056 0.000 0.987 39 T CA -0.506 61.664 62.100 0.117 0.000 0.993 39 T CB 0.337 69.249 68.868 0.073 0.000 0.939 39 T HN 0.077 nan 8.240 nan 0.000 0.449 40 V N 5.757 125.705 119.914 0.057 0.000 2.532 40 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 40 V C 0.560 176.660 176.094 0.009 0.000 1.041 40 V CA -1.057 61.263 62.300 0.033 0.000 0.926 40 V CB 1.638 33.497 31.823 0.061 0.000 0.992 40 V HN 0.955 nan 8.190 nan 0.000 0.457 41 N N 5.829 124.521 118.700 -0.013 0.000 2.402 41 N HA 0.201 4.940 4.740 -0.000 0.000 0.252 41 N C -1.485 173.978 175.510 -0.078 0.000 1.118 41 N CA -1.426 51.602 53.050 -0.037 0.000 0.945 41 N CB 1.287 39.756 38.487 -0.030 0.000 1.147 41 N HN 0.421 nan 8.380 nan 0.000 0.495 42 P HA -0.073 nan 4.420 nan 0.000 0.228 42 P C 0.510 177.566 177.300 -0.406 0.000 1.151 42 P CA 0.851 63.876 63.100 -0.124 0.000 0.770 42 P CB 0.373 32.047 31.700 -0.044 0.000 0.786 43 S N -0.629 114.904 115.700 -0.278 0.000 2.470 43 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 43 S C 1.729 176.270 174.600 -0.099 0.000 1.006 43 S CA 1.681 59.756 58.200 -0.208 0.000 0.934 43 S CB -0.444 62.759 63.200 0.006 0.000 0.778 43 S HN 0.449 nan 8.310 nan 0.000 0.517 44 T N -3.409 111.045 114.554 -0.166 0.000 2.975 44 T HA 0.446 4.796 4.350 -0.000 0.000 0.261 44 T C 1.441 176.008 174.700 -0.222 0.000 0.984 44 T CA 0.710 62.727 62.100 -0.138 0.000 0.911 44 T CB 0.426 69.253 68.868 -0.067 0.000 1.127 44 T HN 0.422 nan 8.240 nan 0.000 0.514 45 G N 1.626 110.235 108.800 -0.318 0.000 2.168 45 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.263 45 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.263 45 G C -0.218 174.628 174.900 -0.090 0.000 0.977 45 G CA 0.397 45.332 45.100 -0.274 0.000 0.659 45 G HN 0.690 nan 8.290 nan 0.000 0.533 46 E N -0.505 119.650 120.200 -0.076 0.000 2.283 46 E HA 0.526 4.876 4.350 -0.000 0.000 0.267 46 E C 0.403 176.992 176.600 -0.019 0.000 1.045 46 E CA -0.914 55.463 56.400 -0.039 0.000 0.884 46 E CB 1.975 31.650 29.700 -0.041 0.000 1.106 46 E HN 0.075 nan 8.360 nan 0.000 0.408 47 V N 3.116 123.024 119.914 -0.010 0.000 2.637 47 V HA -0.022 4.098 4.120 -0.000 0.000 0.296 47 V C 1.159 177.242 176.094 -0.019 0.000 1.046 47 V CA 0.550 62.847 62.300 -0.004 0.000 1.066 47 V CB 0.600 32.423 31.823 0.000 0.000 0.968 47 V HN 0.670 nan 8.190 nan 0.000 0.483 48 I N 3.229 123.786 120.570 -0.021 0.000 2.385 48 I HA 0.088 4.258 4.170 -0.000 0.000 0.244 48 I C 0.892 176.977 176.117 -0.053 0.000 1.089 48 I CA 1.173 62.452 61.300 -0.036 0.000 1.410 48 I CB 0.405 38.386 38.000 -0.033 0.000 1.117 48 I HN 0.878 nan 8.210 nan 0.000 0.429 49 C N -1.912 117.353 119.300 -0.059 0.000 3.216 49 C HA 0.554 5.014 4.460 -0.000 0.000 0.346 49 C C -0.897 174.030 174.990 -0.105 0.000 1.384 49 C CA -1.069 57.900 59.018 -0.082 0.000 1.208 49 C CB 1.136 28.816 27.740 -0.101 0.000 1.483 49 C HN 0.212 nan 8.230 nan 0.000 0.453 50 Q N 0.255 119.979 119.800 -0.126 0.000 2.214 50 Q HA 0.847 5.187 4.340 -0.000 0.000 0.251 50 Q C -0.821 175.013 176.000 -0.276 0.000 0.936 50 Q CA -0.321 55.378 55.803 -0.173 0.000 0.894 50 Q CB 1.690 30.364 28.738 -0.108 0.000 1.252 50 Q HN 0.818 nan 8.270 nan 0.000 0.448 51 V N 1.592 121.209 119.914 -0.495 0.000 2.841 51 V HA 0.715 4.835 4.120 -0.000 0.000 0.310 51 V C -0.787 174.996 176.094 -0.519 0.000 1.090 51 V CA -1.183 60.773 62.300 -0.573 0.000 0.930 51 V CB 1.910 33.209 31.823 -0.873 0.000 1.014 51 V HN 0.949 nan 8.190 nan 0.000 0.425 52 A N 2.459 125.149 122.820 -0.217 0.000 2.548 52 A HA 0.190 4.510 4.320 -0.000 0.000 0.247 52 A C 0.385 177.989 177.584 0.033 0.000 1.067 52 A CA 0.319 52.323 52.037 -0.055 0.000 0.757 52 A CB -0.106 18.923 19.000 0.048 0.000 0.996 52 A HN 0.891 nan 8.150 nan 0.000 0.504 53 E N 3.037 123.290 120.200 0.089 0.000 1.936 53 E HA 0.359 4.709 4.350 -0.000 0.000 0.267 53 E C 0.625 177.228 176.600 0.006 0.000 1.076 53 E CA -0.283 56.183 56.400 0.110 0.000 0.870 53 E CB 0.203 29.919 29.700 0.026 0.000 1.093 53 E HN 0.797 nan 8.360 nan 0.000 0.411 54 G N 3.444 112.260 108.800 0.025 0.000 2.483 54 G HA2 0.069 4.029 3.960 -0.000 0.000 0.248 54 G HA3 0.069 4.029 3.960 -0.000 0.000 0.248 54 G C -0.323 174.567 174.900 -0.016 0.000 1.248 54 G CA -0.236 44.876 45.100 0.019 0.000 0.838 54 G HN 0.575 nan 8.290 nan 0.000 0.566 55 D N -0.383 120.022 120.400 0.008 0.000 2.837 55 D HA 0.204 4.844 4.640 -0.000 0.000 0.294 55 D C 1.364 177.682 176.300 0.030 0.000 1.158 55 D CA -0.798 53.212 54.000 0.017 0.000 1.073 55 D CB 1.518 42.331 40.800 0.021 0.000 1.419 55 D HN 0.269 nan 8.370 nan 0.000 0.584 56 K N 0.154 120.576 120.400 0.036 0.000 2.044 56 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 56 K C 1.453 178.081 176.600 0.047 0.000 1.049 56 K CA 1.932 58.246 56.287 0.045 0.000 0.927 56 K CB 0.040 32.562 32.500 0.036 0.000 0.713 56 K HN 0.194 nan 8.250 nan 0.000 0.443 57 E N 0.792 121.012 120.200 0.034 0.000 2.153 57 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 57 E C 1.620 178.229 176.600 0.016 0.000 0.988 57 E CA 1.498 57.915 56.400 0.028 0.000 0.811 57 E CB -0.044 29.669 29.700 0.022 0.000 0.746 57 E HN 0.413 nan 8.360 nan 0.000 0.466 58 D N -0.135 120.272 120.400 0.013 0.000 2.149 58 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 58 D C 1.960 178.250 176.300 -0.016 0.000 0.972 58 D CA 0.835 54.831 54.000 -0.008 0.000 0.835 58 D CB 0.019 40.825 40.800 0.010 0.000 0.966 58 D HN 0.067 nan 8.370 nan 0.000 0.476 59 V N 1.524 121.444 119.914 0.011 0.000 2.343 59 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 59 V C 2.166 178.254 176.094 -0.009 0.000 1.051 59 V CA 1.819 64.123 62.300 0.007 0.000 1.036 59 V CB -0.454 31.397 31.823 0.047 0.000 0.654 59 V HN 0.059 nan 8.190 nan 0.000 0.451 60 D N -0.093 120.339 120.400 0.054 0.000 2.149 60 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 60 D C 2.206 178.505 176.300 -0.002 0.000 0.990 60 D CA 1.349 55.404 54.000 0.091 0.000 0.839 60 D CB -0.056 40.825 40.800 0.136 0.000 0.948 60 D HN 0.374 nan 8.370 nan 0.000 0.460 61 K N -0.236 120.142 120.400 -0.036 0.000 2.097 61 K HA 0.000 4.320 4.320 -0.000 0.000 0.205 61 K C 2.112 178.640 176.600 -0.119 0.000 1.050 61 K CA 0.987 57.225 56.287 -0.083 0.000 0.938 61 K CB -0.060 32.363 32.500 -0.127 0.000 0.718 61 K HN 0.110 nan 8.250 nan 0.000 0.442 62 A N 0.884 123.633 122.820 -0.120 0.000 1.898 62 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 62 A C 2.335 179.839 177.584 -0.133 0.000 1.181 62 A CA 1.305 53.265 52.037 -0.127 0.000 0.620 62 A CB -0.600 18.342 19.000 -0.096 0.000 0.819 62 A HN 0.062 nan 8.150 nan 0.000 0.442 63 V N 0.172 119.981 119.914 -0.176 0.000 2.427 63 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 63 V C 2.433 178.439 176.094 -0.147 0.000 1.051 63 V CA 2.289 64.443 62.300 -0.244 0.000 1.048 63 V CB -0.650 30.818 31.823 -0.591 0.000 0.666 63 V HN 0.531 nan 8.190 nan 0.000 0.456 64 K N 0.215 120.556 120.400 -0.099 0.000 2.057 64 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 64 K C 2.314 178.891 176.600 -0.039 0.000 1.049 64 K CA 1.466 57.728 56.287 -0.041 0.000 0.931 64 K CB -0.388 32.099 32.500 -0.021 0.000 0.714 64 K HN 0.473 nan 8.250 nan 0.000 0.440 65 A N 1.457 124.236 122.820 -0.068 0.000 1.898 65 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 65 A C 2.353 179.911 177.584 -0.043 0.000 1.181 65 A CA 1.762 53.758 52.037 -0.067 0.000 0.620 65 A CB -0.618 18.312 19.000 -0.117 0.000 0.819 65 A HN 0.330 nan 8.150 nan 0.000 0.442 66 A N -0.052 122.735 122.820 -0.054 0.000 1.877 66 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 66 A C 2.182 179.797 177.584 0.051 0.000 1.186 66 A CA 2.150 54.171 52.037 -0.027 0.000 0.620 66 A CB -0.472 18.488 19.000 -0.067 0.000 0.822 66 A HN 0.453 nan 8.150 nan 0.000 0.443 67 R N 0.347 120.869 120.500 0.037 0.000 2.091 67 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 67 R C 2.096 178.483 176.300 0.145 0.000 1.136 67 R CA 2.103 58.265 56.100 0.103 0.000 0.959 67 R CB -0.978 29.357 30.300 0.059 0.000 0.856 67 R HN 0.400 nan 8.270 nan 0.000 0.437 68 A N 0.099 122.969 122.820 0.084 0.000 1.902 68 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 68 A C 2.337 179.980 177.584 0.099 0.000 1.181 68 A CA 1.689 53.770 52.037 0.074 0.000 0.623 68 A CB -0.996 18.024 19.000 0.034 0.000 0.818 68 A HN 0.480 nan 8.150 nan 0.000 0.443 69 A N -2.088 120.797 122.820 0.109 0.000 2.067 69 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 69 A C 1.748 179.491 177.584 0.266 0.000 1.158 69 A CA 1.259 53.380 52.037 0.140 0.000 0.661 69 A CB -0.536 18.505 19.000 0.069 0.000 0.801 69 A HN 0.614 nan 8.150 nan 0.000 0.452 70 F N 0.357 120.381 119.950 0.124 0.000 2.765 70 F HA 0.195 4.721 4.527 -0.000 0.000 0.302 70 F C 0.658 176.529 175.800 0.119 0.000 1.111 70 F CA -0.253 57.847 58.000 0.167 0.000 1.359 70 F CB 0.146 39.230 39.000 0.140 0.000 1.097 70 F HN 0.096 nan 8.300 nan 0.000 0.577 71 Q N 1.660 121.489 119.800 0.048 0.000 2.361 71 Q HA 0.031 4.371 4.340 -0.000 0.000 0.276 71 Q C -0.188 175.745 176.000 -0.111 0.000 1.022 71 Q CA -0.167 55.621 55.803 -0.024 0.000 0.898 71 Q CB 0.793 29.547 28.738 0.027 0.000 1.246 71 Q HN 0.243 nan 8.270 nan 0.000 0.410 72 L N 1.583 122.731 121.223 -0.125 0.000 2.578 72 L HA 0.120 4.460 4.340 -0.000 0.000 0.279 72 L C 1.276 178.107 176.870 -0.065 0.000 1.227 72 L CA 2.213 56.980 54.840 -0.121 0.000 0.900 72 L CB 0.030 42.040 42.059 -0.082 0.000 1.144 72 L HN 0.931 nan 8.230 nan 0.000 0.496 73 G N 1.923 110.686 108.800 -0.061 0.000 2.217 73 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.246 73 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.246 73 G C 0.380 175.274 174.900 -0.009 0.000 0.990 73 G CA 0.373 45.455 45.100 -0.030 0.000 0.627 73 G HN 1.117 nan 8.290 nan 0.000 0.522 74 S N 0.670 116.369 115.700 -0.002 0.000 2.589 74 S HA 0.524 4.994 4.470 -0.000 0.000 0.265 74 S C -0.620 174.023 174.600 0.071 0.000 1.342 74 S CA -0.113 58.114 58.200 0.045 0.000 1.005 74 S CB 1.712 64.960 63.200 0.080 0.000 0.909 74 S HN 0.027 nan 8.310 nan 0.000 0.555 75 P HA -0.067 nan 4.420 nan 0.000 0.217 75 P C 1.270 178.696 177.300 0.211 0.000 1.150 75 P CA 1.030 64.204 63.100 0.125 0.000 0.832 75 P CB -0.096 31.682 31.700 0.130 0.000 0.787 76 W N 0.313 121.641 121.300 0.047 0.000 2.388 76 W HA -0.124 4.536 4.660 -0.000 0.000 0.294 76 W C 1.598 178.147 176.519 0.050 0.000 1.212 76 W CA 0.701 58.094 57.345 0.080 0.000 1.271 76 W CB -0.058 29.479 29.460 0.128 0.000 1.126 76 W HN -0.151 nan 8.180 nan 0.000 0.535 77 R N 0.318 120.835 120.500 0.029 0.000 2.093 77 R HA -0.025 4.315 4.340 -0.000 0.000 0.224 77 R C 2.080 178.300 176.300 -0.134 0.000 1.101 77 R CA 0.886 56.897 56.100 -0.149 0.000 0.979 77 R CB -0.714 29.472 30.300 -0.190 0.000 0.877 77 R HN 0.290 nan 8.270 nan 0.000 0.441 78 R N -0.034 120.424 120.500 -0.069 0.000 2.193 78 R HA 0.134 4.474 4.340 -0.000 0.000 0.213 78 R C 1.147 177.406 176.300 -0.068 0.000 1.055 78 R CA -0.112 55.952 56.100 -0.060 0.000 0.995 78 R CB -0.065 30.216 30.300 -0.033 0.000 0.893 78 R HN 0.125 nan 8.270 nan 0.000 0.459 79 M N 2.272 121.828 119.600 -0.074 0.000 2.251 79 M HA -0.055 4.425 4.480 -0.000 0.000 0.343 79 M C -0.709 175.540 176.300 -0.085 0.000 1.245 79 M CA 0.404 55.664 55.300 -0.066 0.000 1.061 79 M CB 0.518 33.104 32.600 -0.024 0.000 1.723 79 M HN -0.067 nan 8.290 nan 0.000 0.449 80 D N 3.968 124.343 120.400 -0.042 0.000 2.443 80 D HA 0.074 4.714 4.640 -0.000 0.000 0.239 80 D C 0.848 177.138 176.300 -0.018 0.000 1.136 80 D CA 0.540 54.527 54.000 -0.023 0.000 0.879 80 D CB 1.031 41.833 40.800 0.003 0.000 1.195 80 D HN 0.776 nan 8.370 nan 0.000 0.443 81 A N 2.278 125.081 122.820 -0.029 0.000 1.908 81 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 81 A C 2.125 179.713 177.584 0.006 0.000 1.181 81 A CA 2.306 54.327 52.037 -0.027 0.000 0.627 81 A CB -0.705 18.297 19.000 0.004 0.000 0.818 81 A HN 0.610 nan 8.150 nan 0.000 0.445 82 S N -1.114 114.602 115.700 0.026 0.000 2.419 82 S HA -0.271 4.199 4.470 -0.000 0.000 0.235 82 S C 1.820 176.446 174.600 0.044 0.000 1.019 82 S CA 1.715 59.934 58.200 0.033 0.000 0.982 82 S CB -0.699 62.523 63.200 0.036 0.000 0.789 82 S HN 0.749 nan 8.310 nan 0.000 0.490 83 H N 1.539 120.589 119.070 -0.033 0.000 2.436 83 H HA 0.244 4.800 4.556 -0.000 0.000 0.294 83 H C 2.310 177.621 175.328 -0.029 0.000 1.048 83 H CA 1.322 57.350 56.048 -0.034 0.000 1.353 83 H CB -0.059 29.679 29.762 -0.040 0.000 1.414 83 H HN 0.342 nan 8.280 nan 0.000 0.536 84 R N -0.708 119.764 120.500 -0.047 0.000 2.096 84 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 84 R C 2.491 178.805 176.300 0.023 0.000 1.127 84 R CA 1.070 57.159 56.100 -0.017 0.000 0.968 84 R CB -0.464 29.789 30.300 -0.079 0.000 0.861 84 R HN 0.417 nan 8.270 nan 0.000 0.440 85 G N 1.130 109.932 108.800 0.003 0.000 2.418 85 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 85 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 85 G C 1.428 176.310 174.900 -0.031 0.000 1.158 85 G CA 0.198 45.311 45.100 0.021 0.000 0.771 85 G HN 0.160 nan 8.290 nan 0.000 0.545 86 R N 0.060 120.486 120.500 -0.124 0.000 2.096 86 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 86 R C 2.615 178.792 176.300 -0.205 0.000 1.127 86 R CA 0.648 56.648 56.100 -0.167 0.000 0.968 86 R CB -0.809 29.340 30.300 -0.251 0.000 0.861 86 R HN 0.385 nan 8.270 nan 0.000 0.440 87 L N 0.537 121.560 121.223 -0.332 0.000 2.093 87 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 87 L C 2.506 179.338 176.870 -0.064 0.000 1.085 87 L CA 0.989 55.577 54.840 -0.421 0.000 0.755 87 L CB -0.405 41.110 42.059 -0.907 0.000 0.904 87 L HN 0.124 nan 8.230 nan 0.000 0.435 88 L N -0.440 120.866 121.223 0.138 0.000 2.093 88 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 88 L C 2.327 179.297 176.870 0.166 0.000 1.085 88 L CA 0.897 55.907 54.840 0.283 0.000 0.755 88 L CB -0.477 41.740 42.059 0.264 0.000 0.904 88 L HN 0.347 nan 8.230 nan 0.000 0.435 89 N N -0.142 118.609 118.700 0.085 0.000 2.244 89 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 89 N C 1.939 177.484 175.510 0.058 0.000 1.016 89 N CA 0.824 53.912 53.050 0.062 0.000 0.866 89 N CB -0.127 38.376 38.487 0.027 0.000 0.980 89 N HN 0.157 nan 8.380 nan 0.000 0.430 90 R N 1.334 121.858 120.500 0.039 0.000 2.075 90 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 90 R C 2.046 178.398 176.300 0.088 0.000 1.126 90 R CA 0.776 56.900 56.100 0.039 0.000 0.963 90 R CB -1.019 29.275 30.300 -0.010 0.000 0.858 90 R HN 0.154 nan 8.270 nan 0.000 0.435 91 L N 0.429 121.744 121.223 0.153 0.000 2.012 91 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 91 L C 2.111 179.054 176.870 0.121 0.000 1.073 91 L CA 2.358 57.304 54.840 0.176 0.000 0.748 91 L CB -1.101 41.112 42.059 0.256 0.000 0.891 91 L HN 0.275 nan 8.230 nan 0.000 0.431 92 A N -0.839 122.051 122.820 0.116 0.000 1.908 92 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 92 A C 2.007 179.639 177.584 0.081 0.000 1.181 92 A CA 1.930 54.025 52.037 0.097 0.000 0.627 92 A CB -0.894 18.164 19.000 0.097 0.000 0.818 92 A HN 0.555 nan 8.150 nan 0.000 0.445 93 D N 0.039 120.482 120.400 0.073 0.000 2.144 93 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 93 D C 1.947 178.289 176.300 0.071 0.000 0.984 93 D CA 0.968 55.006 54.000 0.063 0.000 0.834 93 D CB -0.317 40.514 40.800 0.052 0.000 0.955 93 D HN 0.472 nan 8.370 nan 0.000 0.465 94 L N 0.272 121.541 121.223 0.077 0.000 2.056 94 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 94 L C 2.501 179.437 176.870 0.110 0.000 1.078 94 L CA 0.658 55.548 54.840 0.084 0.000 0.749 94 L CB -0.277 41.827 42.059 0.075 0.000 0.901 94 L HN -0.000 nan 8.230 nan 0.000 0.433 95 I N -0.132 120.505 120.570 0.111 0.000 2.286 95 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 95 I C 2.593 178.774 176.117 0.107 0.000 1.115 95 I CA 1.258 62.635 61.300 0.128 0.000 1.392 95 I CB -0.145 37.918 38.000 0.106 0.000 1.065 95 I HN 0.322 nan 8.210 nan 0.000 0.418 96 E N 1.089 121.337 120.200 0.081 0.000 2.106 96 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 96 E C 2.388 179.040 176.600 0.088 0.000 0.984 96 E CA 0.830 57.268 56.400 0.063 0.000 0.806 96 E CB -0.008 29.723 29.700 0.052 0.000 0.750 96 E HN 0.259 nan 8.360 nan 0.000 0.458 97 R N 0.342 120.898 120.500 0.094 0.000 2.091 97 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 97 R C 0.382 176.757 176.300 0.125 0.000 1.136 97 R CA 1.820 57.979 56.100 0.098 0.000 0.959 97 R CB 0.020 30.370 30.300 0.083 0.000 0.856 97 R HN 0.139 nan 8.270 nan 0.000 0.437 98 D N -0.284 120.209 120.400 0.154 0.000 2.491 98 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 98 D C 1.065 177.501 176.300 0.226 0.000 1.183 98 D CA -0.048 54.073 54.000 0.202 0.000 0.827 98 D CB 0.231 41.189 40.800 0.262 0.000 0.989 98 D HN 0.238 nan 8.370 nan 0.000 0.494 99 R N 0.424 121.029 120.500 0.175 0.000 2.083 99 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 99 R C 1.506 177.959 176.300 0.254 0.000 1.137 99 R CA 1.597 57.772 56.100 0.125 0.000 0.951 99 R CB -0.037 30.265 30.300 0.003 0.000 0.851 99 R HN -0.011 nan 8.270 nan 0.000 0.434 100 T N 0.061 114.848 114.554 0.388 0.000 2.652 100 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 100 T C 1.401 176.327 174.700 0.377 0.000 1.039 100 T CA 1.720 64.112 62.100 0.487 0.000 1.153 100 T CB -0.562 68.524 68.868 0.363 0.000 0.863 100 T HN 0.405 nan 8.240 nan 0.000 0.428 101 Y N 1.614 122.014 120.300 0.166 0.000 2.097 101 Y HA -0.098 4.452 4.550 -0.000 0.000 0.282 101 Y C 2.089 178.029 175.900 0.065 0.000 1.152 101 Y CA 1.190 59.334 58.100 0.074 0.000 1.136 101 Y CB -0.595 37.846 38.460 -0.030 0.000 0.975 101 Y HN 0.108 nan 8.280 nan 0.000 0.498 102 L N -0.287 120.955 121.223 0.032 0.000 2.083 102 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 102 L C 2.760 179.625 176.870 -0.008 0.000 1.083 102 L CA 1.188 56.002 54.840 -0.043 0.000 0.752 102 L CB -0.864 41.262 42.059 0.111 0.000 0.899 102 L HN 0.397 nan 8.230 nan 0.000 0.433 103 A N -0.241 122.652 122.820 0.122 0.000 1.902 103 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 103 A C 2.501 180.249 177.584 0.274 0.000 1.181 103 A CA 1.669 53.816 52.037 0.183 0.000 0.623 103 A CB -0.678 18.485 19.000 0.271 0.000 0.818 103 A HN 0.408 nan 8.150 nan 0.000 0.443 104 A N -0.613 122.416 122.820 0.349 0.000 1.898 104 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 104 A C 2.112 179.790 177.584 0.156 0.000 1.181 104 A CA 1.686 53.946 52.037 0.372 0.000 0.620 104 A CB -0.607 18.508 19.000 0.192 0.000 0.819 104 A HN 0.623 nan 8.150 nan 0.000 0.442 105 L N -0.089 121.057 121.223 -0.128 0.000 2.083 105 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 105 L C 2.220 179.049 176.870 -0.070 0.000 1.083 105 L CA 2.629 57.356 54.840 -0.188 0.000 0.752 105 L CB -0.610 41.192 42.059 -0.428 0.000 0.899 105 L HN 0.516 nan 8.230 nan 0.000 0.433 106 E N -1.159 119.014 120.200 -0.045 0.000 2.077 106 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 106 E C 2.018 178.582 176.600 -0.060 0.000 0.989 106 E CA 1.956 58.335 56.400 -0.034 0.000 0.800 106 E CB -0.277 29.412 29.700 -0.019 0.000 0.746 106 E HN 0.478 nan 8.360 nan 0.000 0.452 107 T N 0.667 115.177 114.554 -0.075 0.000 2.777 107 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 107 T C 1.709 176.304 174.700 -0.174 0.000 1.040 107 T CA 1.117 63.092 62.100 -0.209 0.000 1.141 107 T CB -0.348 68.236 68.868 -0.473 0.000 0.868 107 T HN 0.119 nan 8.240 nan 0.000 0.444 108 L N 1.283 122.489 121.223 -0.028 0.000 2.012 108 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 108 L C 2.041 178.905 176.870 -0.011 0.000 1.073 108 L CA 1.911 56.786 54.840 0.059 0.000 0.748 108 L CB -0.429 41.698 42.059 0.114 0.000 0.891 108 L HN 0.088 nan 8.230 nan 0.000 0.431 109 D N -1.600 118.784 120.400 -0.027 0.000 2.183 109 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 109 D C 1.924 178.196 176.300 -0.048 0.000 0.962 109 D CA 0.801 54.785 54.000 -0.026 0.000 0.849 109 D CB 0.010 40.804 40.800 -0.009 0.000 0.978 109 D HN 0.420 nan 8.370 nan 0.000 0.488 110 N N -0.745 117.913 118.700 -0.069 0.000 2.439 110 N HA -0.022 4.718 4.740 -0.000 0.000 0.176 110 N C 1.366 176.793 175.510 -0.138 0.000 1.029 110 N CA 1.620 54.615 53.050 -0.092 0.000 0.886 110 N CB 0.852 39.285 38.487 -0.090 0.000 1.057 110 N HN 0.256 nan 8.380 nan 0.000 0.437 111 G N 1.386 110.092 108.800 -0.156 0.000 2.238 111 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 111 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 111 G C -0.063 174.725 174.900 -0.186 0.000 0.996 111 G CA 0.344 45.331 45.100 -0.188 0.000 0.632 111 G HN 0.674 nan 8.290 nan 0.000 0.503 112 K N 1.190 121.479 120.400 -0.185 0.000 2.355 112 K HA 0.463 4.783 4.320 -0.000 0.000 0.270 112 K C -2.684 173.825 176.600 -0.151 0.000 1.003 112 K CA -1.209 54.974 56.287 -0.173 0.000 0.957 112 K CB 0.539 32.916 32.500 -0.206 0.000 0.939 112 K HN 0.082 nan 8.250 nan 0.000 0.482 113 P HA -0.108 nan 4.420 nan 0.000 0.265 113 P C -0.248 177.022 177.300 -0.050 0.000 1.193 113 P CA -0.063 63.002 63.100 -0.057 0.000 0.765 113 P CB 0.144 31.855 31.700 0.018 0.000 0.823 114 Y N 4.652 124.830 120.300 -0.204 0.000 2.151 114 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 114 Y C 1.847 177.777 175.900 0.051 0.000 1.166 114 Y CA 1.830 59.857 58.100 -0.121 0.000 1.163 114 Y CB -0.945 37.466 38.460 -0.083 0.000 0.974 114 Y HN 0.084 nan 8.280 nan 0.000 0.511 115 V N 0.459 120.323 119.914 -0.082 0.000 2.392 115 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 115 V C 2.377 178.450 176.094 -0.035 0.000 1.059 115 V CA 1.782 64.017 62.300 -0.109 0.000 1.051 115 V CB -0.632 31.214 31.823 0.039 0.000 0.658 115 V HN 0.449 nan 8.190 nan 0.000 0.455 116 I N -0.405 120.177 120.570 0.020 0.000 2.233 116 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 116 I C 2.597 178.750 176.117 0.059 0.000 1.093 116 I CA 1.376 62.736 61.300 0.100 0.000 1.380 116 I CB -1.380 36.705 38.000 0.142 0.000 1.067 116 I HN 0.265 nan 8.210 nan 0.000 0.413 117 S N 0.207 115.898 115.700 -0.015 0.000 2.374 117 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 117 S C 2.044 176.622 174.600 -0.037 0.000 1.037 117 S CA 1.577 59.764 58.200 -0.020 0.000 1.024 117 S CB -0.498 62.686 63.200 -0.028 0.000 0.861 117 S HN 0.454 nan 8.310 nan 0.000 0.456 118 Y N 1.293 121.442 120.300 -0.252 0.000 2.184 118 Y HA 0.066 4.616 4.550 -0.000 0.000 0.290 118 Y C 1.895 177.738 175.900 -0.095 0.000 1.129 118 Y CA 1.339 59.298 58.100 -0.234 0.000 1.144 118 Y CB -0.107 38.055 38.460 -0.497 0.000 0.995 118 Y HN 0.128 nan 8.280 nan 0.000 0.513 119 L N -1.533 119.757 121.223 0.112 0.000 2.307 119 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 119 L C 1.651 178.557 176.870 0.060 0.000 1.099 119 L CA 0.240 55.143 54.840 0.104 0.000 0.816 119 L CB -0.072 42.075 42.059 0.147 0.000 0.952 119 L HN 0.136 nan 8.230 nan 0.000 0.455 120 V N -0.879 119.087 119.914 0.086 0.000 2.695 120 V HA -0.057 4.063 4.120 -0.000 0.000 0.230 120 V C 1.668 177.820 176.094 0.095 0.000 1.110 120 V CA 0.979 63.356 62.300 0.128 0.000 1.159 120 V CB -0.262 31.719 31.823 0.262 0.000 0.875 120 V HN 0.194 nan 8.190 nan 0.000 0.502 121 D N 0.826 121.288 120.400 0.105 0.000 2.103 121 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 121 D C 1.983 178.288 176.300 0.009 0.000 0.997 121 D CA 1.571 55.613 54.000 0.069 0.000 0.833 121 D CB -0.325 40.523 40.800 0.079 0.000 0.961 121 D HN 0.210 nan 8.370 nan 0.000 0.447 122 L N 0.177 121.376 121.223 -0.039 0.000 2.093 122 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 122 L C 1.902 178.729 176.870 -0.071 0.000 1.085 122 L CA 1.276 56.069 54.840 -0.078 0.000 0.755 122 L CB -0.257 41.698 42.059 -0.173 0.000 0.904 122 L HN -0.007 nan 8.230 nan 0.000 0.435 123 D N -0.546 119.809 120.400 -0.075 0.000 2.097 123 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 123 D C 2.266 178.578 176.300 0.019 0.000 0.989 123 D CA 1.510 55.488 54.000 -0.035 0.000 0.827 123 D CB 0.041 40.831 40.800 -0.016 0.000 0.966 123 D HN 0.189 nan 8.370 nan 0.000 0.456 124 M N -0.560 119.063 119.600 0.038 0.000 2.229 124 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 124 M C 2.181 178.539 176.300 0.096 0.000 1.063 124 M CA 0.597 55.942 55.300 0.074 0.000 1.114 124 M CB 0.041 32.685 32.600 0.074 0.000 1.387 124 M HN -0.007 nan 8.290 nan 0.000 0.420 125 V N 0.923 120.874 119.914 0.061 0.000 2.295 125 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 125 V C 2.281 178.435 176.094 0.100 0.000 1.049 125 V CA 1.666 64.012 62.300 0.077 0.000 1.024 125 V CB -0.581 31.266 31.823 0.041 0.000 0.648 125 V HN 0.448 nan 8.190 nan 0.000 0.447 126 L N -0.556 120.708 121.223 0.069 0.000 2.017 126 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 126 L C 2.566 179.495 176.870 0.099 0.000 1.073 126 L CA 1.817 56.702 54.840 0.074 0.000 0.745 126 L CB -0.640 41.444 42.059 0.041 0.000 0.894 126 L HN 0.264 nan 8.230 nan 0.000 0.432 127 K N -0.915 119.540 120.400 0.093 0.000 2.147 127 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 127 K C 2.289 178.979 176.600 0.152 0.000 1.049 127 K CA 1.469 57.816 56.287 0.101 0.000 0.936 127 K CB -0.427 32.114 32.500 0.069 0.000 0.722 127 K HN 0.392 nan 8.250 nan 0.000 0.446 128 C N 1.018 120.435 119.300 0.194 0.000 2.453 128 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 128 C C 2.365 177.580 174.990 0.376 0.000 1.262 128 C CA 0.533 59.732 59.018 0.301 0.000 1.718 128 C CB -0.866 27.106 27.740 0.386 0.000 2.031 128 C HN 0.394 nan 8.230 nan 0.000 0.480 129 L N 0.307 121.697 121.223 0.278 0.000 2.056 129 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 129 L C 2.977 179.985 176.870 0.230 0.000 1.078 129 L CA 1.602 56.597 54.840 0.260 0.000 0.749 129 L CB -0.696 41.471 42.059 0.181 0.000 0.901 129 L HN 0.320 nan 8.230 nan 0.000 0.433 130 R N -1.342 119.265 120.500 0.178 0.000 2.148 130 R HA -0.169 4.171 4.340 -0.000 0.000 0.223 130 R C 2.235 178.600 176.300 0.108 0.000 1.088 130 R CA 1.192 57.366 56.100 0.124 0.000 0.985 130 R CB -0.312 30.044 30.300 0.094 0.000 0.880 130 R HN 0.286 nan 8.270 nan 0.000 0.451 131 Y N 0.017 120.313 120.300 -0.007 0.000 2.184 131 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 131 Y C 1.610 177.423 175.900 -0.146 0.000 1.129 131 Y CA 1.357 59.379 58.100 -0.131 0.000 1.144 131 Y CB -0.395 37.943 38.460 -0.205 0.000 0.995 131 Y HN -0.031 nan 8.280 nan 0.000 0.513 132 Y N -0.148 120.240 120.300 0.148 0.000 2.293 132 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 132 Y C 2.653 178.587 175.900 0.058 0.000 1.137 132 Y CA 1.006 59.170 58.100 0.107 0.000 1.202 132 Y CB -0.628 37.935 38.460 0.171 0.000 0.990 132 Y HN 0.272 nan 8.280 nan 0.000 0.537 133 A N 0.203 123.126 122.820 0.172 0.000 1.948 133 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 133 A C 2.518 180.109 177.584 0.012 0.000 1.177 133 A CA 1.896 53.997 52.037 0.106 0.000 0.636 133 A CB -1.492 17.555 19.000 0.079 0.000 0.815 133 A HN 0.485 nan 8.150 nan 0.000 0.449 134 G N -2.420 106.312 108.800 -0.113 0.000 2.443 134 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 1.347 176.083 174.900 -0.274 0.000 1.131 134 G CA 0.717 45.672 45.100 -0.242 0.000 0.775 134 G HN 0.692 nan 8.290 nan 0.000 0.547 135 W N 0.639 121.813 121.300 -0.211 0.000 2.678 135 W HA 0.294 4.954 4.660 -0.000 0.000 0.256 135 W C 2.746 179.232 176.519 -0.055 0.000 1.280 135 W CA 0.148 57.397 57.345 -0.160 0.000 1.345 135 W CB 0.323 29.679 29.460 -0.173 0.000 1.118 135 W HN 0.255 nan 8.180 nan 0.000 0.629 136 A N 1.129 124.075 122.820 0.210 0.000 1.927 136 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 136 A C 1.319 178.974 177.584 0.117 0.000 1.185 136 A CA 2.407 54.533 52.037 0.149 0.000 0.639 136 A CB -0.797 18.260 19.000 0.095 0.000 0.820 136 A HN 0.367 nan 8.150 nan 0.000 0.451 137 D N -2.394 118.057 120.400 0.085 0.000 2.593 137 D HA 0.209 4.849 4.640 -0.000 0.000 0.241 137 D C 0.530 176.845 176.300 0.025 0.000 1.257 137 D CA -0.037 53.995 54.000 0.054 0.000 0.828 137 D CB 0.049 40.868 40.800 0.032 0.000 1.049 137 D HN 0.452 nan 8.370 nan 0.000 0.490 138 K N -0.602 119.841 120.400 0.072 0.000 2.477 138 K HA 0.060 4.380 4.320 -0.000 0.000 0.208 138 K C -0.522 176.049 176.600 -0.047 0.000 1.117 138 K CA -0.489 55.768 56.287 -0.051 0.000 1.039 138 K CB 0.853 33.345 32.500 -0.013 0.000 0.937 138 K HN -0.020 nan 8.250 nan 0.000 0.570 139 Y N 2.738 123.004 120.300 -0.057 0.000 2.691 139 Y HA 0.160 4.710 4.550 -0.000 0.000 0.338 139 Y C -0.467 175.386 175.900 -0.077 0.000 1.148 139 Y CA -1.289 56.781 58.100 -0.050 0.000 1.430 139 Y CB -0.771 37.687 38.460 -0.003 0.000 1.303 139 Y HN 0.074 nan 8.280 nan 0.000 0.499 140 H N 1.516 120.541 119.070 -0.076 0.000 2.629 140 H HA 0.433 4.989 4.556 -0.000 0.000 0.357 140 H C 0.879 175.848 175.328 -0.597 0.000 1.121 140 H CA 0.204 56.116 56.048 -0.227 0.000 1.406 140 H CB 0.913 30.616 29.762 -0.098 0.000 1.456 140 H HN 0.755 nan 8.280 nan 0.000 0.579 141 G N 0.907 109.439 108.800 -0.448 0.000 2.510 141 G HA2 0.443 4.403 3.960 -0.000 0.000 0.280 141 G HA3 0.443 4.403 3.960 -0.000 0.000 0.280 141 G C -0.725 174.037 174.900 -0.230 0.000 1.386 141 G CA -0.801 43.915 45.100 -0.640 0.000 1.047 141 G HN 0.543 nan 8.290 nan 0.000 0.527 142 K N -0.976 119.356 120.400 -0.113 0.000 2.443 142 K HA 0.563 4.883 4.320 -0.000 0.000 0.251 142 K C -0.963 175.661 176.600 0.039 0.000 0.972 142 K CA -0.708 55.564 56.287 -0.026 0.000 0.833 142 K CB 2.202 34.698 32.500 -0.007 0.000 1.317 142 K HN 0.601 nan 8.250 nan 0.000 0.441 143 T N -0.981 113.612 114.554 0.066 0.000 2.779 143 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 143 T C -0.088 174.672 174.700 0.100 0.000 0.987 143 T CA -0.745 61.439 62.100 0.140 0.000 0.966 143 T CB 0.160 69.172 68.868 0.240 0.000 0.933 143 T HN 0.374 nan 8.240 nan 0.000 0.442 144 I N 5.017 125.635 120.570 0.080 0.000 2.362 144 I HA 0.340 4.509 4.170 -0.000 0.000 0.289 144 I C -1.908 174.259 176.117 0.084 0.000 0.994 144 I CA -2.771 58.563 61.300 0.056 0.000 1.158 144 I CB 2.467 40.473 38.000 0.010 0.000 1.315 144 I HN 0.484 nan 8.210 nan 0.000 0.451 145 P HA 0.145 nan 4.420 nan 0.000 0.226 145 P C 0.049 177.397 177.300 0.080 0.000 1.783 145 P CA -0.143 63.011 63.100 0.090 0.000 0.980 145 P CB -0.588 31.153 31.700 0.069 0.000 1.967 146 I N -2.320 118.303 120.570 0.087 0.000 3.060 146 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 146 I C 0.041 176.230 176.117 0.120 0.000 1.190 146 I CA -0.305 61.042 61.300 0.078 0.000 1.363 146 I CB 0.237 38.267 38.000 0.050 0.000 1.396 146 I HN -0.151 nan 8.210 nan 0.000 0.607 147 D N 3.068 123.530 120.400 0.105 0.000 2.423 147 D HA 0.430 5.070 4.640 -0.000 0.000 0.238 147 D C 0.609 177.049 176.300 0.232 0.000 1.142 147 D CA 1.453 55.527 54.000 0.123 0.000 0.884 147 D CB 0.821 41.673 40.800 0.087 0.000 1.199 147 D HN 1.120 nan 8.370 nan 0.000 0.438 148 G N 1.688 110.594 108.800 0.177 0.000 2.728 148 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.294 148 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.294 148 G C -0.785 174.104 174.900 -0.018 0.000 1.342 148 G CA -0.722 44.474 45.100 0.159 0.000 0.866 148 G HN 0.506 nan 8.290 nan 0.000 0.534 149 D N 1.003 121.161 120.400 -0.403 0.000 2.713 149 D HA 0.497 5.137 4.640 -0.000 0.000 0.229 149 D C -0.093 175.677 176.300 -0.883 0.000 1.136 149 D CA 0.868 54.568 54.000 -0.499 0.000 1.010 149 D CB -0.455 40.098 40.800 -0.411 0.000 1.084 149 D HN 0.272 nan 8.370 nan 0.000 0.495 150 F N 0.276 120.270 119.950 0.073 0.000 2.629 150 F HA 0.436 4.963 4.527 -0.000 0.000 0.316 150 F C -0.448 175.461 175.800 0.183 0.000 1.081 150 F CA -1.457 56.602 58.000 0.098 0.000 0.954 150 F CB 1.651 40.679 39.000 0.046 0.000 1.337 150 F HN -0.157 nan 8.300 nan 0.000 0.474 151 F N 1.832 121.920 119.950 0.229 0.000 2.460 151 F HA 0.683 5.210 4.527 -0.000 0.000 0.341 151 F C -0.677 175.240 175.800 0.194 0.000 1.130 151 F CA -1.100 57.007 58.000 0.178 0.000 0.962 151 F CB 1.271 40.364 39.000 0.155 0.000 1.171 151 F HN 0.276 nan 8.300 nan 0.000 0.436 152 S N 6.545 122.127 115.700 -0.196 0.000 2.500 152 S HA 0.827 5.297 4.470 -0.000 0.000 0.301 152 S C -1.527 172.865 174.600 -0.345 0.000 1.092 152 S CA -0.287 57.714 58.200 -0.332 0.000 1.030 152 S CB 0.794 63.910 63.200 -0.140 0.000 1.031 152 S HN 0.703 nan 8.310 nan 0.000 0.483 153 Y N -0.007 120.028 120.300 -0.442 0.000 2.638 153 Y HA 0.768 5.317 4.550 -0.000 0.000 0.335 153 Y C -0.518 175.270 175.900 -0.186 0.000 1.155 153 Y CA -1.019 56.898 58.100 -0.304 0.000 1.046 153 Y CB 0.797 39.038 38.460 -0.365 0.000 1.303 153 Y HN 0.577 nan 8.280 nan 0.000 0.460 154 T N -0.251 114.331 114.554 0.045 0.000 2.932 154 T HA 0.782 5.132 4.350 -0.000 0.000 0.289 154 T C -0.937 173.799 174.700 0.061 0.000 1.039 154 T CA -1.046 61.051 62.100 -0.005 0.000 1.024 154 T CB 2.177 71.048 68.868 0.004 0.000 1.090 154 T HN 0.852 nan 8.240 nan 0.000 0.496 155 R N 0.263 120.798 120.500 0.059 0.000 2.561 155 R HA 0.355 4.695 4.340 -0.000 0.000 0.297 155 R C -0.867 175.523 176.300 0.150 0.000 0.969 155 R CA -0.680 55.459 56.100 0.064 0.000 0.879 155 R CB 1.427 31.794 30.300 0.112 0.000 1.178 155 R HN 0.779 nan 8.270 nan 0.000 0.445 156 H N 2.108 121.189 119.070 0.018 0.000 2.741 156 H HA 0.155 4.711 4.556 -0.000 0.000 0.282 156 H C -0.412 174.973 175.328 0.094 0.000 1.122 156 H CA -0.436 55.634 56.048 0.036 0.000 1.293 156 H CB 1.076 30.822 29.762 -0.026 0.000 1.415 156 H HN 0.337 nan 8.280 nan 0.000 0.472 157 E N 4.380 124.707 120.200 0.211 0.000 2.250 157 E HA 0.228 4.578 4.350 -0.000 0.000 0.269 157 E C -2.436 174.289 176.600 0.208 0.000 1.018 157 E CA -2.323 54.188 56.400 0.185 0.000 0.873 157 E CB 1.176 30.968 29.700 0.155 0.000 1.134 157 E HN 0.387 nan 8.360 nan 0.000 0.403 158 P HA -0.038 nan 4.420 nan 0.000 0.272 158 P C 0.520 177.954 177.300 0.224 0.000 1.223 158 P CA -0.079 63.188 63.100 0.278 0.000 0.784 158 P CB 0.704 32.670 31.700 0.442 0.000 0.923 159 V N 1.137 121.112 119.914 0.101 0.000 2.427 159 V HA 0.046 4.166 4.120 -0.000 0.000 0.248 159 V C 1.465 177.471 176.094 -0.147 0.000 1.051 159 V CA 2.623 64.927 62.300 0.007 0.000 1.048 159 V CB -1.351 30.455 31.823 -0.028 0.000 0.666 159 V HN 1.037 nan 8.190 nan 0.000 0.456 160 G N -1.011 107.535 108.800 -0.423 0.000 2.178 160 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.147 160 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.147 160 G C -0.615 173.881 174.900 -0.674 0.000 1.245 160 G CA -0.219 44.224 45.100 -1.095 0.000 1.275 160 G HN 0.191 nan 8.290 nan 0.000 0.491 161 V N 1.333 120.997 119.914 -0.418 0.000 2.389 161 V HA 0.413 4.533 4.120 -0.000 0.000 0.264 161 V C 0.311 176.335 176.094 -0.116 0.000 1.049 161 V CA -0.260 61.911 62.300 -0.215 0.000 0.932 161 V CB 0.286 32.015 31.823 -0.155 0.000 1.011 161 V HN 0.791 nan 8.190 nan 0.000 0.475 162 C N 4.838 124.104 119.300 -0.056 0.000 2.255 162 C HA 0.662 5.122 4.460 -0.000 0.000 0.326 162 C C 1.121 176.122 174.990 0.020 0.000 1.258 162 C CA -0.965 58.065 59.018 0.019 0.000 1.676 162 C CB 0.194 28.026 27.740 0.154 0.000 2.314 162 C HN 0.986 nan 8.230 nan 0.000 0.509 163 G N 3.147 111.959 108.800 0.019 0.000 2.339 163 G HA2 0.493 4.453 3.960 -0.000 0.000 0.287 163 G HA3 0.493 4.453 3.960 -0.000 0.000 0.287 163 G C -0.715 174.221 174.900 0.060 0.000 1.163 163 G CA -0.104 45.012 45.100 0.027 0.000 0.872 163 G HN 0.818 nan 8.290 nan 0.000 0.464 164 Q N 1.676 121.511 119.800 0.057 0.000 2.309 164 Q HA 0.396 4.736 4.340 -0.000 0.000 0.270 164 Q C -0.696 175.341 176.000 0.062 0.000 1.023 164 Q CA -0.432 55.412 55.803 0.069 0.000 0.758 164 Q CB 2.694 31.468 28.738 0.060 0.000 1.247 164 Q HN 0.527 nan 8.270 nan 0.000 0.455 165 I N 4.990 125.607 120.570 0.078 0.000 2.330 165 I HA 0.415 4.584 4.170 -0.000 0.000 0.289 165 I C -0.083 176.018 176.117 -0.028 0.000 1.001 165 I CA -0.786 60.563 61.300 0.082 0.000 1.193 165 I CB 0.776 38.916 38.000 0.233 0.000 1.345 165 I HN 0.534 nan 8.210 nan 0.000 0.461 166 I N 5.976 126.524 120.570 -0.038 0.000 2.493 166 I HA 0.708 4.878 4.170 -0.000 0.000 0.298 166 I C -2.558 173.479 176.117 -0.134 0.000 0.998 166 I CA -2.163 59.070 61.300 -0.112 0.000 1.137 166 I CB 1.952 39.904 38.000 -0.079 0.000 1.310 166 I HN 0.232 nan 8.210 nan 0.000 0.445 167 P HA 0.126 nan 4.420 nan 0.000 0.293 167 P C -0.038 177.104 177.300 -0.263 0.000 1.304 167 P CA -0.199 62.687 63.100 -0.356 0.000 0.767 167 P CB 0.512 31.843 31.700 -0.614 0.000 1.247 168 W N 0.358 121.569 121.300 -0.149 0.000 3.211 168 W HA 0.035 4.695 4.660 -0.000 0.000 0.292 168 W C 0.900 177.276 176.519 -0.239 0.000 1.268 168 W CA 0.256 57.508 57.345 -0.155 0.000 1.702 168 W CB -1.597 27.785 29.460 -0.130 0.000 1.092 168 W HN 0.222 nan 8.180 nan 0.000 0.643 169 N N 2.335 120.691 118.700 -0.573 0.000 2.142 169 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 169 N C -0.072 174.981 175.510 -0.762 0.000 1.023 169 N CA 1.054 53.742 53.050 -0.603 0.000 0.852 169 N CB -1.212 36.768 38.487 -0.845 0.000 0.998 169 N HN 0.093 nan 8.380 nan 0.000 0.424 170 F N -0.466 119.304 119.950 -0.300 0.000 2.769 170 F HA 0.444 4.971 4.527 -0.000 0.000 0.358 170 F C -1.812 173.837 175.800 -0.252 0.000 1.285 170 F CA -2.175 55.657 58.000 -0.281 0.000 1.199 170 F CB 2.103 40.865 39.000 -0.397 0.000 1.558 170 F HN -0.158 nan 8.300 nan 0.000 0.583 171 P HA -0.232 nan 4.420 nan 0.000 0.216 171 P C 1.872 179.148 177.300 -0.040 0.000 1.167 171 P CA 1.779 64.860 63.100 -0.032 0.000 0.914 171 P CB 0.389 32.091 31.700 0.002 0.000 0.793 172 L N -2.146 119.062 121.223 -0.025 0.000 2.072 172 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 172 L C 2.440 179.264 176.870 -0.077 0.000 1.079 172 L CA 0.829 55.654 54.840 -0.025 0.000 0.752 172 L CB -0.930 41.131 42.059 0.004 0.000 0.906 172 L HN -0.020 nan 8.230 nan 0.000 0.436 173 L N -0.580 120.561 121.223 -0.136 0.000 2.046 173 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 173 L C 2.478 179.038 176.870 -0.517 0.000 1.077 173 L CA 1.828 56.479 54.840 -0.314 0.000 0.747 173 L CB -0.424 41.361 42.059 -0.456 0.000 0.896 173 L HN 0.172 nan 8.230 nan 0.000 0.432 174 M N -1.044 118.276 119.600 -0.467 0.000 2.159 174 M HA -0.227 4.253 4.480 -0.000 0.000 0.263 174 M C 2.244 178.459 176.300 -0.142 0.000 1.063 174 M CA 1.605 56.668 55.300 -0.394 0.000 1.110 174 M CB -1.126 31.302 32.600 -0.286 0.000 1.374 174 M HN 0.515 nan 8.290 nan 0.000 0.411 175 Q N 0.257 119.994 119.800 -0.105 0.000 2.020 175 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 175 Q C 2.058 178.048 176.000 -0.017 0.000 0.982 175 Q CA 2.118 57.892 55.803 -0.048 0.000 0.838 175 Q CB -0.049 28.666 28.738 -0.039 0.000 0.899 175 Q HN 0.479 nan 8.270 nan 0.000 0.423 176 A N -0.135 122.688 122.820 0.004 0.000 1.933 176 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 176 A C 1.529 179.236 177.584 0.204 0.000 1.175 176 A CA 1.196 53.285 52.037 0.088 0.000 0.628 176 A CB -1.051 18.021 19.000 0.120 0.000 0.814 176 A HN 0.646 nan 8.150 nan 0.000 0.444 177 W N 0.365 121.643 121.300 -0.036 0.000 2.421 177 W HA -0.007 4.653 4.660 -0.000 0.000 0.270 177 W C 1.998 178.452 176.519 -0.109 0.000 1.233 177 W CA 1.107 58.430 57.345 -0.037 0.000 1.226 177 W CB -0.121 29.317 29.460 -0.036 0.000 1.121 177 W HN 0.249 nan 8.180 nan 0.000 0.579 178 K N -0.430 120.036 120.400 0.110 0.000 2.141 178 K HA 0.117 4.437 4.320 -0.000 0.000 0.202 178 K C 2.042 178.532 176.600 -0.183 0.000 1.045 178 K CA 0.595 56.873 56.287 -0.015 0.000 0.971 178 K CB -0.910 31.603 32.500 0.023 0.000 0.795 178 K HN 0.180 nan 8.250 nan 0.000 0.459 179 L N 0.554 121.697 121.223 -0.133 0.000 2.056 179 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 179 L C 2.480 179.225 176.870 -0.208 0.000 1.078 179 L CA 1.407 56.141 54.840 -0.178 0.000 0.749 179 L CB -1.131 40.840 42.059 -0.147 0.000 0.901 179 L HN 0.270 nan 8.230 nan 0.000 0.433 180 G N 1.401 110.094 108.800 -0.179 0.000 2.628 180 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 180 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 180 G C -0.472 174.092 174.900 -0.560 0.000 1.240 180 G CA 1.160 46.133 45.100 -0.213 0.000 0.792 180 G HN 0.317 nan 8.290 nan 0.000 0.593 181 P HA -0.002 nan 4.420 nan 0.000 0.217 181 P C 2.006 178.892 177.300 -0.689 0.000 1.151 181 P CA 1.968 64.512 63.100 -0.927 0.000 0.828 181 P CB -0.125 31.041 31.700 -0.890 0.000 0.788 182 A N 0.450 122.717 122.820 -0.922 0.000 1.873 182 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 182 A C 2.451 179.941 177.584 -0.156 0.000 1.186 182 A CA 1.378 52.966 52.037 -0.749 0.000 0.616 182 A CB -1.554 17.043 19.000 -0.672 0.000 0.823 182 A HN 0.119 nan 8.150 nan 0.000 0.442 183 L N -0.944 120.247 121.223 -0.055 0.000 2.109 183 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 183 L C 3.034 180.084 176.870 0.300 0.000 1.086 183 L CA 0.825 55.828 54.840 0.271 0.000 0.760 183 L CB -0.556 41.648 42.059 0.240 0.000 0.910 183 L HN 0.422 nan 8.230 nan 0.000 0.437 184 A N 0.257 123.159 122.820 0.137 0.000 1.972 184 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 184 A C 2.216 179.862 177.584 0.104 0.000 1.169 184 A CA 2.158 54.285 52.037 0.150 0.000 0.635 184 A CB -0.799 18.316 19.000 0.191 0.000 0.810 184 A HN 0.509 nan 8.150 nan 0.000 0.446 185 T N -4.655 109.942 114.554 0.072 0.000 3.122 185 T HA 0.430 4.780 4.350 -0.000 0.000 0.250 185 T C 1.219 175.995 174.700 0.126 0.000 1.067 185 T CA 0.950 63.107 62.100 0.095 0.000 0.966 185 T CB 0.133 69.053 68.868 0.088 0.000 1.002 185 T HN 1.671 nan 8.240 nan 0.000 0.542 186 G N 1.544 110.428 108.800 0.139 0.000 2.136 186 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 186 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 186 G C 0.010 175.215 174.900 0.509 0.000 0.989 186 G CA -0.230 44.939 45.100 0.114 0.000 0.682 186 G HN 0.584 nan 8.290 nan 0.000 0.522 187 N N -0.543 118.432 118.700 0.459 0.000 2.379 187 N HA 0.579 5.319 4.740 -0.000 0.000 0.260 187 N C 0.528 176.283 175.510 0.409 0.000 1.254 187 N CA 0.596 53.853 53.050 0.345 0.000 0.958 187 N CB 1.664 40.255 38.487 0.174 0.000 1.208 187 N HN 0.706 nan 8.380 nan 0.000 0.532 188 V N -2.170 117.824 119.914 0.134 0.000 2.864 188 V HA 0.731 4.851 4.120 -0.000 0.000 0.314 188 V C -0.150 175.918 176.094 -0.044 0.000 1.073 188 V CA -0.774 61.540 62.300 0.023 0.000 0.956 188 V CB 1.718 33.562 31.823 0.036 0.000 1.023 188 V HN 0.242 nan 8.190 nan 0.000 0.435 189 V N 2.388 122.253 119.914 -0.081 0.000 2.735 189 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 189 V C -0.604 175.451 176.094 -0.065 0.000 1.061 189 V CA -0.544 61.717 62.300 -0.066 0.000 0.913 189 V CB 2.250 34.023 31.823 -0.084 0.000 1.005 189 V HN 0.789 nan 8.190 nan 0.000 0.428 190 V N 5.278 125.165 119.914 -0.046 0.000 2.357 190 V HA 0.454 4.574 4.120 -0.000 0.000 0.281 190 V C -0.211 175.876 176.094 -0.011 0.000 1.015 190 V CA -0.224 62.052 62.300 -0.039 0.000 0.827 190 V CB 1.358 33.144 31.823 -0.062 0.000 1.018 190 V HN 0.883 nan 8.190 nan 0.000 0.432 191 M N 5.271 124.870 119.600 -0.001 0.000 2.336 191 M HA 0.568 5.048 4.480 -0.000 0.000 0.342 191 M C -0.659 175.664 176.300 0.039 0.000 1.128 191 M CA -0.468 54.840 55.300 0.015 0.000 1.016 191 M CB 1.352 33.949 32.600 -0.004 0.000 1.665 191 M HN 0.436 nan 8.290 nan 0.000 0.445 192 K N 5.438 125.870 120.400 0.052 0.000 2.307 192 K HA 0.472 4.792 4.320 -0.000 0.000 0.263 192 K C -1.374 175.272 176.600 0.076 0.000 0.973 192 K CA -0.428 55.902 56.287 0.073 0.000 0.846 192 K CB 1.176 33.725 32.500 0.081 0.000 1.100 192 K HN 0.698 nan 8.250 nan 0.000 0.438 193 V N 0.728 120.698 119.914 0.094 0.000 2.837 193 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 193 V C 0.267 176.439 176.094 0.130 0.000 1.059 193 V CA -1.108 61.250 62.300 0.097 0.000 1.004 193 V CB 1.218 33.104 31.823 0.105 0.000 1.045 193 V HN 0.764 nan 8.190 nan 0.000 0.465 194 A N 2.208 125.109 122.820 0.135 0.000 2.477 194 A HA 0.291 4.611 4.320 -0.000 0.000 0.246 194 A C 1.249 178.955 177.584 0.204 0.000 1.078 194 A CA 0.342 52.488 52.037 0.182 0.000 0.770 194 A CB -0.144 19.006 19.000 0.251 0.000 1.011 194 A HN 1.174 nan 8.150 nan 0.000 0.494 195 E N 1.821 122.121 120.200 0.166 0.000 2.209 195 E HA -0.305 4.045 4.350 -0.000 0.000 0.196 195 E C 1.073 177.823 176.600 0.250 0.000 0.993 195 E CA 1.748 58.240 56.400 0.153 0.000 0.819 195 E CB -0.214 29.448 29.700 -0.064 0.000 0.745 195 E HN 0.813 nan 8.360 nan 0.000 0.477 196 Q N 0.649 120.527 119.800 0.130 0.000 2.245 196 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 196 Q C 0.666 176.717 176.000 0.085 0.000 0.955 196 Q CA 1.687 57.513 55.803 0.038 0.000 0.870 196 Q CB 0.575 29.208 28.738 -0.175 0.000 0.945 196 Q HN 0.464 nan 8.270 nan 0.000 0.461 197 T N -3.568 111.072 114.554 0.143 0.000 3.583 197 T HA 0.297 4.646 4.350 -0.000 0.000 0.266 197 T C -2.497 172.279 174.700 0.127 0.000 1.296 197 T CA -1.294 60.874 62.100 0.113 0.000 1.668 197 T CB 1.160 70.091 68.868 0.104 0.000 0.832 197 T HN -0.044 nan 8.240 nan 0.000 0.649 198 P HA 0.241 nan 4.420 nan 0.000 0.245 198 P C 1.595 178.961 177.300 0.111 0.000 1.199 198 P CA -0.157 63.034 63.100 0.151 0.000 0.807 198 P CB 0.378 32.209 31.700 0.218 0.000 1.002 199 L N 0.608 121.879 121.223 0.081 0.000 1.989 199 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 199 L C 2.783 179.724 176.870 0.118 0.000 1.071 199 L CA 2.701 57.586 54.840 0.074 0.000 0.749 199 L CB -2.128 39.952 42.059 0.033 0.000 0.890 199 L HN 0.093 nan 8.230 nan 0.000 0.431 200 T N -2.075 112.535 114.554 0.093 0.000 2.788 200 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 200 T C 1.956 176.749 174.700 0.155 0.000 1.044 200 T CA 0.992 63.165 62.100 0.122 0.000 1.139 200 T CB -0.474 68.432 68.868 0.063 0.000 0.867 200 T HN 0.335 nan 8.240 nan 0.000 0.454 201 A N 1.475 124.359 122.820 0.107 0.000 1.969 201 A HA 0.203 4.522 4.320 -0.000 0.000 0.218 201 A C 2.429 180.069 177.584 0.094 0.000 1.169 201 A CA 1.080 53.164 52.037 0.078 0.000 0.635 201 A CB -0.813 18.221 19.000 0.056 0.000 0.810 201 A HN 0.551 nan 8.150 nan 0.000 0.445 202 L N -2.419 118.902 121.223 0.162 0.000 2.109 202 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 202 L C 2.539 179.571 176.870 0.270 0.000 1.086 202 L CA 1.417 56.411 54.840 0.258 0.000 0.760 202 L CB -0.551 41.645 42.059 0.229 0.000 0.910 202 L HN 0.574 nan 8.230 nan 0.000 0.437 203 Y N 0.240 120.625 120.300 0.141 0.000 2.242 203 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 203 Y C 2.352 178.314 175.900 0.104 0.000 1.137 203 Y CA 1.196 59.393 58.100 0.162 0.000 1.181 203 Y CB -0.072 38.537 38.460 0.249 0.000 0.989 203 Y HN -0.171 nan 8.280 nan 0.000 0.527 204 V N 0.266 120.239 119.914 0.099 0.000 2.490 204 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 204 V C 2.598 178.560 176.094 -0.219 0.000 1.061 204 V CA 1.582 63.865 62.300 -0.029 0.000 1.064 204 V CB -1.427 30.402 31.823 0.011 0.000 0.670 204 V HN 0.562 nan 8.190 nan 0.000 0.461 205 A N 0.215 122.841 122.820 -0.323 0.000 1.972 205 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 205 A C 2.058 179.194 177.584 -0.746 0.000 1.169 205 A CA 2.182 53.704 52.037 -0.858 0.000 0.635 205 A CB -0.712 17.468 19.000 -1.367 0.000 0.810 205 A HN 0.569 nan 8.150 nan 0.000 0.446 206 N N -0.162 118.369 118.700 -0.282 0.000 2.244 206 N HA -0.017 4.722 4.740 -0.000 0.000 0.183 206 N C 1.496 176.906 175.510 -0.167 0.000 1.016 206 N CA 1.053 54.049 53.050 -0.090 0.000 0.866 206 N CB -0.290 38.114 38.487 -0.139 0.000 0.980 206 N HN 0.503 nan 8.380 nan 0.000 0.430 207 L N -0.251 120.826 121.223 -0.243 0.000 2.156 207 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 207 L C 1.892 178.750 176.870 -0.019 0.000 1.095 207 L CA 0.542 55.312 54.840 -0.117 0.000 0.770 207 L CB -0.272 41.741 42.059 -0.077 0.000 0.914 207 L HN 0.186 nan 8.230 nan 0.000 0.439 208 I N 0.285 120.803 120.570 -0.086 0.000 2.226 208 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 208 I C 2.746 178.968 176.117 0.175 0.000 1.100 208 I CA 1.404 62.695 61.300 -0.015 0.000 1.374 208 I CB -0.250 37.577 38.000 -0.287 0.000 1.057 208 I HN 0.263 nan 8.210 nan 0.000 0.413 209 K N 1.230 121.703 120.400 0.122 0.000 2.025 209 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 209 K C 2.106 178.780 176.600 0.123 0.000 1.049 209 K CA 1.739 58.135 56.287 0.182 0.000 0.933 209 K CB -0.131 32.505 32.500 0.227 0.000 0.714 209 K HN 0.254 nan 8.250 nan 0.000 0.438 210 E N -0.081 120.167 120.200 0.079 0.000 2.153 210 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 210 E C 1.656 178.297 176.600 0.069 0.000 0.988 210 E CA 0.957 57.389 56.400 0.055 0.000 0.811 210 E CB -0.103 29.608 29.700 0.017 0.000 0.746 210 E HN 0.462 nan 8.360 nan 0.000 0.466 211 A N 0.044 122.932 122.820 0.113 0.000 2.067 211 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 211 A C 1.860 179.456 177.584 0.020 0.000 1.158 211 A CA 1.429 53.526 52.037 0.100 0.000 0.661 211 A CB -0.421 18.712 19.000 0.222 0.000 0.801 211 A HN 0.525 nan 8.150 nan 0.000 0.452 212 G N -2.912 105.928 108.800 0.068 0.000 2.154 212 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.186 212 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.186 212 G C -0.045 174.851 174.900 -0.006 0.000 1.000 212 G CA -0.232 44.878 45.100 0.018 0.000 0.664 212 G HN 0.261 nan 8.290 nan 0.000 0.513 213 F N 1.537 121.499 119.950 0.020 0.000 2.529 213 F HA 0.417 4.944 4.527 -0.000 0.000 0.365 213 F C -1.136 174.636 175.800 -0.047 0.000 1.102 213 F CA -1.387 56.590 58.000 -0.039 0.000 1.271 213 F CB 0.472 39.381 39.000 -0.153 0.000 1.120 213 F HN -0.098 nan 8.300 nan 0.000 0.579 214 P HA 0.055 nan 4.420 nan 0.000 0.267 214 P C -2.532 174.767 177.300 -0.001 0.000 1.200 214 P CA -0.818 62.325 63.100 0.071 0.000 0.772 214 P CB 0.053 31.830 31.700 0.128 0.000 0.855 215 P HA 0.067 nan 4.420 nan 0.000 0.265 215 P C 0.960 178.204 177.300 -0.094 0.000 1.193 215 P CA 1.154 64.207 63.100 -0.078 0.000 0.765 215 P CB 0.153 31.807 31.700 -0.077 0.000 0.823 216 G N 1.282 109.998 108.800 -0.140 0.000 2.241 216 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 216 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 216 G C 1.010 175.826 174.900 -0.140 0.000 0.998 216 G CA 0.206 45.231 45.100 -0.125 0.000 0.621 216 G HN 0.403 nan 8.290 nan 0.000 0.519 217 V N -0.044 119.741 119.914 -0.216 0.000 2.427 217 V HA 0.109 4.229 4.120 -0.000 0.000 0.248 217 V C 1.336 177.252 176.094 -0.298 0.000 1.051 217 V CA 2.011 64.074 62.300 -0.395 0.000 1.048 217 V CB 0.174 31.537 31.823 -0.767 0.000 0.666 217 V HN 0.436 nan 8.190 nan 0.000 0.456 218 V N 1.210 121.003 119.914 -0.201 0.000 2.577 218 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 218 V C -0.901 175.213 176.094 0.032 0.000 1.042 218 V CA -0.835 61.384 62.300 -0.136 0.000 0.872 218 V CB 1.959 33.643 31.823 -0.232 0.000 0.998 218 V HN 0.402 nan 8.190 nan 0.000 0.423 219 N N 4.996 123.705 118.700 0.016 0.000 2.295 219 N HA 0.662 5.402 4.740 -0.000 0.000 0.293 219 N C -1.346 174.205 175.510 0.069 0.000 1.040 219 N CA -0.425 52.667 53.050 0.069 0.000 0.840 219 N CB 3.112 41.570 38.487 -0.049 0.000 1.468 219 N HN 0.496 nan 8.380 nan 0.000 0.478 220 I N 1.360 122.013 120.570 0.138 0.000 2.465 220 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 220 I C -0.450 175.743 176.117 0.126 0.000 1.014 220 I CA -1.006 60.356 61.300 0.102 0.000 1.093 220 I CB 2.250 40.301 38.000 0.085 0.000 1.267 220 I HN 0.062 nan 8.210 nan 0.000 0.431 221 V N 7.650 127.623 119.914 0.098 0.000 2.305 221 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 221 V C -2.112 174.054 176.094 0.121 0.000 1.020 221 V CA -1.502 60.859 62.300 0.101 0.000 0.811 221 V CB 1.106 32.963 31.823 0.057 0.000 1.031 221 V HN 0.570 nan 8.190 nan 0.000 0.439 222 P HA 0.595 nan 4.420 nan 0.000 0.274 222 P C 0.214 177.634 177.300 0.200 0.000 1.237 222 P CA 0.477 63.709 63.100 0.221 0.000 0.793 222 P CB 2.250 34.110 31.700 0.268 0.000 0.977 223 G N 0.393 109.262 108.800 0.116 0.000 2.367 223 G HA2 0.279 4.239 3.960 -0.000 0.000 0.272 223 G HA3 0.279 4.239 3.960 -0.000 0.000 0.272 223 G C -1.636 173.035 174.900 -0.381 0.000 1.271 223 G CA -0.797 44.150 45.100 -0.254 0.000 0.893 223 G HN 0.339 nan 8.290 nan 0.000 0.485 224 F N 0.487 120.341 119.950 -0.160 0.000 2.450 224 F HA 0.541 5.068 4.527 -0.000 0.000 0.328 224 F C 1.756 177.526 175.800 -0.050 0.000 1.068 224 F CA -0.325 57.582 58.000 -0.154 0.000 1.007 224 F CB 1.991 40.898 39.000 -0.154 0.000 1.251 224 F HN 0.659 nan 8.300 nan 0.000 0.492 225 G N 0.602 109.518 108.800 0.194 0.000 2.414 225 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.215 225 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.215 225 G C -1.105 173.847 174.900 0.086 0.000 1.188 225 G CA 0.545 45.719 45.100 0.123 0.000 0.783 225 G HN 0.430 nan 8.290 nan 0.000 0.537 226 P HA 0.011 nan 4.420 nan 0.000 0.228 226 P C 1.683 179.020 177.300 0.061 0.000 1.151 226 P CA 1.860 64.987 63.100 0.045 0.000 0.770 226 P CB 0.131 31.847 31.700 0.027 0.000 0.786 227 T N -3.693 110.919 114.554 0.097 0.000 3.587 227 T HA 0.301 4.651 4.350 -0.000 0.000 0.221 227 T C 1.962 176.699 174.700 0.061 0.000 0.921 227 T CA 0.549 62.697 62.100 0.080 0.000 1.426 227 T CB -1.128 67.799 68.868 0.099 0.000 1.340 227 T HN -0.113 nan 8.240 nan 0.000 0.423 228 A N 1.768 124.621 122.820 0.056 0.000 1.877 228 A HA 0.219 4.539 4.320 -0.000 0.000 0.216 228 A C 2.616 180.237 177.584 0.061 0.000 1.186 228 A CA 2.042 54.108 52.037 0.048 0.000 0.620 228 A CB -1.753 17.266 19.000 0.032 0.000 0.822 228 A HN 0.697 nan 8.150 nan 0.000 0.443 229 G N -0.643 108.202 108.800 0.074 0.000 2.418 229 G HA2 0.016 3.976 3.960 -0.000 0.000 0.217 229 G HA3 0.016 3.976 3.960 -0.000 0.000 0.217 229 G C 1.740 176.674 174.900 0.056 0.000 1.158 229 G CA 1.441 46.590 45.100 0.082 0.000 0.771 229 G HN 0.821 nan 8.290 nan 0.000 0.545 230 A N 1.067 123.911 122.820 0.040 0.000 1.930 230 A HA 0.327 4.647 4.320 -0.000 0.000 0.217 230 A C 2.786 180.390 177.584 0.034 0.000 1.175 230 A CA 2.055 54.104 52.037 0.020 0.000 0.627 230 A CB -0.669 18.338 19.000 0.012 0.000 0.815 230 A HN 0.747 nan 8.150 nan 0.000 0.443 231 A N 0.045 122.895 122.820 0.049 0.000 1.902 231 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 231 A C 2.108 179.751 177.584 0.099 0.000 1.181 231 A CA 1.536 53.613 52.037 0.067 0.000 0.623 231 A CB -0.558 18.483 19.000 0.070 0.000 0.818 231 A HN 0.504 nan 8.150 nan 0.000 0.443 232 I N -0.400 120.217 120.570 0.079 0.000 2.202 232 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 232 I C 2.928 179.092 176.117 0.078 0.000 1.091 232 I CA 1.039 62.383 61.300 0.074 0.000 1.368 232 I CB -0.338 37.694 38.000 0.053 0.000 1.058 232 I HN 0.344 nan 8.210 nan 0.000 0.410 233 A N -0.143 122.711 122.820 0.058 0.000 2.019 233 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 233 A C 2.357 179.962 177.584 0.036 0.000 1.164 233 A CA 2.018 54.079 52.037 0.038 0.000 0.644 233 A CB -0.420 18.587 19.000 0.011 0.000 0.805 233 A HN 0.419 nan 8.150 nan 0.000 0.449 234 S N -1.319 114.408 115.700 0.044 0.000 2.503 234 S HA 0.063 4.533 4.470 -0.000 0.000 0.215 234 S C 0.730 175.351 174.600 0.034 0.000 1.003 234 S CA -0.528 57.687 58.200 0.024 0.000 0.910 234 S CB -0.231 62.971 63.200 0.003 0.000 0.790 234 S HN 0.689 nan 8.310 nan 0.000 0.514 235 H N 3.005 122.073 119.070 -0.004 0.000 3.070 235 H HA 0.048 4.604 4.556 -0.000 0.000 0.313 235 H C 0.836 176.160 175.328 -0.005 0.000 0.997 235 H CA 0.831 56.877 56.048 -0.004 0.000 1.438 235 H CB 0.361 30.121 29.762 -0.003 0.000 1.455 235 H HN 0.375 nan 8.280 nan 0.000 0.575 236 E N 2.773 122.947 120.200 -0.042 0.000 2.409 236 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 236 E C 0.530 177.222 176.600 0.153 0.000 1.024 236 E CA 0.717 57.139 56.400 0.037 0.000 0.861 236 E CB 0.312 29.986 29.700 -0.043 0.000 0.788 236 E HN 0.550 nan 8.360 nan 0.000 0.521 237 D N -0.243 120.401 120.400 0.405 0.000 2.363 237 D HA 0.032 4.672 4.640 -0.000 0.000 0.214 237 D C -0.699 175.646 176.300 0.075 0.000 1.093 237 D CA 0.004 54.133 54.000 0.216 0.000 0.837 237 D CB 0.666 41.593 40.800 0.212 0.000 0.948 237 D HN -0.181 nan 8.370 nan 0.000 0.507 238 V N 1.573 121.537 119.914 0.083 0.000 2.432 238 V HA 0.117 4.237 4.120 -0.000 0.000 0.275 238 V C 0.835 176.927 176.094 -0.004 0.000 1.043 238 V CA -0.331 61.966 62.300 -0.005 0.000 0.925 238 V CB 1.708 33.536 31.823 0.008 0.000 0.985 238 V HN 0.079 nan 8.190 nan 0.000 0.466 239 D N 3.299 123.674 120.400 -0.042 0.000 2.289 239 D HA 0.050 4.690 4.640 -0.000 0.000 0.207 239 D C 0.712 176.984 176.300 -0.047 0.000 0.966 239 D CA 0.852 54.825 54.000 -0.045 0.000 0.868 239 D CB 0.708 41.461 40.800 -0.078 0.000 0.943 239 D HN 0.490 nan 8.370 nan 0.000 0.514 240 K N 0.409 120.780 120.400 -0.048 0.000 2.542 240 K HA 0.385 4.705 4.320 -0.000 0.000 0.259 240 K C -2.086 174.499 176.600 -0.026 0.000 0.932 240 K CA -0.611 55.642 56.287 -0.057 0.000 0.820 240 K CB 3.049 35.483 32.500 -0.110 0.000 1.345 240 K HN -0.189 nan 8.250 nan 0.000 0.432 241 V N 2.666 122.571 119.914 -0.015 0.000 2.577 241 V HA 0.816 4.936 4.120 -0.000 0.000 0.303 241 V C -1.520 174.599 176.094 0.041 0.000 1.042 241 V CA -0.273 62.042 62.300 0.026 0.000 0.872 241 V CB 1.430 33.276 31.823 0.039 0.000 0.998 241 V HN 0.882 nan 8.190 nan 0.000 0.423 242 A N 6.905 129.769 122.820 0.073 0.000 2.291 242 A HA 0.805 5.125 4.320 -0.000 0.000 0.311 242 A C -1.163 176.510 177.584 0.148 0.000 1.224 242 A CA -0.448 51.645 52.037 0.092 0.000 0.821 242 A CB 0.757 19.810 19.000 0.088 0.000 1.172 242 A HN 1.203 nan 8.150 nan 0.000 0.494 243 F N 2.635 122.599 119.950 0.022 0.000 2.469 243 F HA 0.724 5.251 4.527 -0.000 0.000 0.332 243 F C -0.278 175.537 175.800 0.024 0.000 1.103 243 F CA -0.065 57.947 58.000 0.020 0.000 0.979 243 F CB 2.131 41.139 39.000 0.013 0.000 1.137 243 F HN 0.389 nan 8.300 nan 0.000 0.463 244 T N 4.387 118.303 114.554 -1.062 0.000 2.890 244 T HA 0.779 5.128 4.350 -0.000 0.000 0.295 244 T C -0.343 173.637 174.700 -1.199 0.000 0.993 244 T CA -0.487 61.122 62.100 -0.819 0.000 0.979 244 T CB 0.991 69.647 68.868 -0.354 0.000 0.967 244 T HN 1.151 nan 8.240 nan 0.000 0.441 264 R N 1.345 121.823 120.500 -0.035 0.000 2.267 264 R HA 0.392 4.732 4.340 -0.000 0.000 0.319 264 R C -0.985 175.289 176.300 -0.043 0.000 1.067 264 R CA -0.446 55.624 56.100 -0.049 0.000 0.936 264 R CB 1.091 31.344 30.300 -0.078 0.000 1.006 264 R HN 0.400 nan 8.270 nan 0.000 0.452 265 V N 3.091 122.986 119.914 -0.032 0.000 2.555 265 V HA 0.453 4.573 4.120 -0.000 0.000 0.302 265 V C -0.205 175.884 176.094 -0.009 0.000 1.038 265 V CA -0.720 61.571 62.300 -0.014 0.000 0.887 265 V CB 2.046 33.865 31.823 -0.007 0.000 0.991 265 V HN 0.929 nan 8.190 nan 0.000 0.434 266 T N 2.657 117.221 114.554 0.017 0.000 2.937 266 T HA 0.715 5.065 4.350 -0.000 0.000 0.297 266 T C -1.086 173.675 174.700 0.102 0.000 0.991 266 T CA -0.568 61.550 62.100 0.030 0.000 0.990 266 T CB 1.067 69.933 68.868 -0.003 0.000 0.991 266 T HN 0.361 nan 8.240 nan 0.000 0.440 267 L N 2.825 124.117 121.223 0.115 0.000 2.294 267 L HA 0.497 4.837 4.340 -0.000 0.000 0.283 267 L C -0.168 176.798 176.870 0.161 0.000 1.015 267 L CA -0.769 54.202 54.840 0.219 0.000 0.831 267 L CB 1.352 43.523 42.059 0.187 0.000 1.217 267 L HN 0.719 nan 8.230 nan 0.000 0.420 268 E N 5.072 125.353 120.200 0.135 0.000 1.993 268 E HA 0.478 4.828 4.350 -0.000 0.000 0.271 268 E C -0.932 175.703 176.600 0.059 0.000 1.008 268 E CA -0.053 56.386 56.400 0.065 0.000 0.814 268 E CB 0.879 30.606 29.700 0.045 0.000 1.098 268 E HN 0.417 nan 8.360 nan 0.000 0.407 269 L N 1.424 122.709 121.223 0.103 0.000 2.333 269 L HA 0.836 5.176 4.340 -0.000 0.000 0.269 269 L C 0.565 177.519 176.870 0.140 0.000 1.010 269 L CA -1.179 53.742 54.840 0.136 0.000 0.818 269 L CB 1.898 44.059 42.059 0.171 0.000 1.306 269 L HN 0.477 nan 8.230 nan 0.000 0.430 270 G N -0.571 108.356 108.800 0.212 0.000 2.642 270 G HA2 0.803 4.763 3.960 -0.000 0.000 0.293 270 G HA3 0.803 4.763 3.960 -0.000 0.000 0.293 270 G C -1.071 173.980 174.900 0.252 0.000 1.341 270 G CA -0.639 44.606 45.100 0.241 0.000 0.916 270 G HN 0.915 nan 8.290 nan 0.000 0.474 271 G N -0.543 108.357 108.800 0.167 0.000 2.341 271 G HA2 0.493 4.453 3.960 -0.000 0.000 0.300 271 G HA3 0.493 4.453 3.960 -0.000 0.000 0.300 271 G C -0.317 174.607 174.900 0.039 0.000 1.706 271 G CA -0.241 44.884 45.100 0.042 0.000 0.916 271 G HN 1.242 nan 8.290 nan 0.000 0.716 272 K N -0.260 120.137 120.400 -0.005 0.000 3.096 272 K HA -0.147 4.173 4.320 -0.000 0.000 0.266 272 K C 0.755 177.418 176.600 0.105 0.000 1.043 272 K CA 1.056 57.363 56.287 0.033 0.000 0.758 272 K CB -1.633 30.884 32.500 0.028 0.000 1.260 272 K HN 0.911 nan 8.250 nan 0.000 0.481 273 S N 1.755 117.550 115.700 0.158 0.000 2.533 273 S HA 0.251 4.721 4.470 -0.000 0.000 0.282 273 S C -2.205 172.551 174.600 0.260 0.000 1.304 273 S CA -0.864 57.473 58.200 0.228 0.000 1.063 273 S CB 0.807 64.212 63.200 0.341 0.000 0.881 273 S HN 0.113 nan 8.310 nan 0.000 0.493 274 P HA 0.264 nan 4.420 nan 0.000 0.286 274 P C -0.925 176.604 177.300 0.382 0.000 1.269 274 P CA -0.574 62.739 63.100 0.354 0.000 0.787 274 P CB 0.320 32.220 31.700 0.333 0.000 0.920 275 N N 3.361 122.285 118.700 0.374 0.000 2.518 275 N HA 0.362 5.102 4.740 -0.000 0.000 0.254 275 N C -0.952 174.765 175.510 0.345 0.000 0.979 275 N CA -0.585 52.694 53.050 0.381 0.000 0.930 275 N CB 0.410 39.024 38.487 0.212 0.000 1.152 275 N HN 0.267 nan 8.380 nan 0.000 0.505 276 I N 4.686 125.463 120.570 0.345 0.000 2.304 276 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 276 I C -0.240 176.075 176.117 0.330 0.000 1.018 276 I CA -0.700 60.764 61.300 0.274 0.000 1.260 276 I CB 1.051 39.099 38.000 0.080 0.000 1.390 276 I HN 0.377 nan 8.210 nan 0.000 0.475 277 I N 7.066 127.802 120.570 0.276 0.000 2.306 277 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 277 I C 0.177 176.453 176.117 0.265 0.000 1.036 277 I CA -0.612 60.795 61.300 0.179 0.000 1.221 277 I CB 0.733 38.590 38.000 -0.239 0.000 1.385 277 I HN 0.468 nan 8.210 nan 0.000 0.472 278 M N 3.773 123.544 119.600 0.286 0.000 2.247 278 M HA 0.155 4.635 4.480 -0.000 0.000 0.326 278 M C 1.716 178.096 176.300 0.133 0.000 1.134 278 M CA -0.067 55.383 55.300 0.250 0.000 1.136 278 M CB 0.785 33.519 32.600 0.224 0.000 1.454 278 M HN 0.684 nan 8.290 nan 0.000 0.467 279 S N 0.599 116.341 115.700 0.070 0.000 2.419 279 S HA -0.175 4.295 4.470 -0.000 0.000 0.235 279 S C 0.823 175.467 174.600 0.074 0.000 1.019 279 S CA 1.533 59.758 58.200 0.042 0.000 0.982 279 S CB -0.548 62.656 63.200 0.006 0.000 0.789 279 S HN 0.747 nan 8.310 nan 0.000 0.490 280 D N 1.806 122.260 120.400 0.090 0.000 2.328 280 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 280 D C 0.572 176.948 176.300 0.128 0.000 1.066 280 D CA 0.225 54.282 54.000 0.094 0.000 0.861 280 D CB -0.375 40.471 40.800 0.077 0.000 0.912 280 D HN 0.564 nan 8.370 nan 0.000 0.521 281 A N 0.443 123.363 122.820 0.166 0.000 2.366 281 A HA 0.200 4.520 4.320 -0.000 0.000 0.249 281 A C 0.299 178.019 177.584 0.226 0.000 1.084 281 A CA -0.442 51.735 52.037 0.234 0.000 0.794 281 A CB 0.252 19.439 19.000 0.312 0.000 1.034 281 A HN 0.169 nan 8.150 nan 0.000 0.491 282 D N 1.816 122.381 120.400 0.275 0.000 2.363 282 D HA 0.073 4.713 4.640 -0.000 0.000 0.263 282 D C 1.037 177.504 176.300 0.278 0.000 1.258 282 D CA -0.158 53.992 54.000 0.251 0.000 0.907 282 D CB 0.542 41.508 40.800 0.276 0.000 1.107 282 D HN 0.461 nan 8.370 nan 0.000 0.495 283 M N 4.293 124.017 119.600 0.207 0.000 2.065 283 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 283 M C 1.083 177.485 176.300 0.171 0.000 1.071 283 M CA 1.746 57.163 55.300 0.195 0.000 1.109 283 M CB -0.277 32.409 32.600 0.143 0.000 1.313 283 M HN 0.319 nan 8.290 nan 0.000 0.408 284 D N -0.869 119.624 120.400 0.155 0.000 2.104 284 D HA -0.248 4.391 4.640 -0.000 0.000 0.194 284 D C 1.846 178.260 176.300 0.190 0.000 0.994 284 D CA 1.535 55.613 54.000 0.130 0.000 0.830 284 D CB -0.827 40.050 40.800 0.129 0.000 0.959 284 D HN 0.659 nan 8.370 nan 0.000 0.452 285 W N 1.693 123.040 121.300 0.079 0.000 2.355 285 W HA -0.169 4.491 4.660 -0.000 0.000 0.309 285 W C 2.164 178.741 176.519 0.096 0.000 1.206 285 W CA 1.635 59.046 57.345 0.111 0.000 1.284 285 W CB -0.080 29.480 29.460 0.167 0.000 1.145 285 W HN -0.018 nan 8.180 nan 0.000 0.502 286 A N 0.237 123.130 122.820 0.123 0.000 1.933 286 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 286 A C 2.039 179.550 177.584 -0.122 0.000 1.175 286 A CA 2.061 53.974 52.037 -0.206 0.000 0.628 286 A CB -1.080 17.940 19.000 0.034 0.000 0.814 286 A HN 0.157 nan 8.150 nan 0.000 0.444 287 V N -0.204 119.695 119.914 -0.026 0.000 2.307 287 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 287 V C 2.602 178.583 176.094 -0.187 0.000 1.045 287 V CA 2.356 64.512 62.300 -0.240 0.000 1.024 287 V CB -0.630 30.983 31.823 -0.350 0.000 0.651 287 V HN 0.687 nan 8.190 nan 0.000 0.449 288 E N -0.095 120.000 120.200 -0.174 0.000 2.077 288 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 288 E C 2.279 178.786 176.600 -0.156 0.000 0.989 288 E CA 1.355 57.665 56.400 -0.151 0.000 0.800 288 E CB -0.204 29.399 29.700 -0.161 0.000 0.746 288 E HN 0.484 nan 8.360 nan 0.000 0.452 289 Q N -0.403 119.167 119.800 -0.383 0.000 2.123 289 Q HA -0.001 4.339 4.340 -0.000 0.000 0.199 289 Q C 2.150 178.044 176.000 -0.176 0.000 0.966 289 Q CA 1.386 56.983 55.803 -0.343 0.000 0.845 289 Q CB -0.451 27.979 28.738 -0.514 0.000 0.907 289 Q HN 0.384 nan 8.270 nan 0.000 0.439 290 A N 0.155 122.838 122.820 -0.229 0.000 1.972 290 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 290 A C 1.914 179.494 177.584 -0.007 0.000 1.169 290 A CA 1.876 53.844 52.037 -0.116 0.000 0.635 290 A CB -0.702 18.375 19.000 0.129 0.000 0.810 290 A HN 0.473 nan 8.150 nan 0.000 0.446 291 H N -1.508 117.559 119.070 -0.005 0.000 2.293 291 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 291 H C 1.714 177.181 175.328 0.232 0.000 1.082 291 H CA 2.186 58.336 56.048 0.170 0.000 1.308 291 H CB -0.487 29.321 29.762 0.078 0.000 1.375 291 H HN 0.431 nan 8.280 nan 0.000 0.495 292 F N 0.965 120.935 119.950 0.034 0.000 2.126 292 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 292 F C 2.517 178.280 175.800 -0.062 0.000 1.096 292 F CA 1.674 59.672 58.000 -0.003 0.000 1.255 292 F CB -0.802 38.164 39.000 -0.057 0.000 0.997 292 F HN 0.303 nan 8.300 nan 0.000 0.479 293 A N 0.076 122.780 122.820 -0.195 0.000 1.986 293 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 293 A C 2.119 179.437 177.584 -0.444 0.000 1.171 293 A CA 2.078 53.760 52.037 -0.593 0.000 0.640 293 A CB -1.018 17.254 19.000 -1.214 0.000 0.811 293 A HN 0.591 nan 8.150 nan 0.000 0.451 294 L N -2.913 118.084 121.223 -0.376 0.000 2.269 294 L HA 0.281 4.621 4.340 -0.000 0.000 0.200 294 L C 1.952 178.535 176.870 -0.479 0.000 1.069 294 L CA 1.016 55.596 54.840 -0.432 0.000 0.804 294 L CB -0.106 41.605 42.059 -0.580 0.000 0.987 294 L HN 0.274 nan 8.230 nan 0.000 0.468 295 F N -0.759 119.021 119.950 -0.284 0.000 2.661 295 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 295 F C 1.003 176.702 175.800 -0.167 0.000 1.137 295 F CA 0.003 57.852 58.000 -0.251 0.000 1.454 295 F CB -0.487 38.259 39.000 -0.423 0.000 1.103 295 F HN -0.064 nan 8.300 nan 0.000 0.577 296 F N 2.124 121.891 119.950 -0.305 0.000 2.623 296 F HA -0.061 4.466 4.527 -0.000 0.000 0.383 296 F C 1.222 176.952 175.800 -0.118 0.000 1.077 296 F CA -0.088 57.707 58.000 -0.341 0.000 1.268 296 F CB 0.118 38.637 39.000 -0.803 0.000 1.053 296 F HN 0.111 nan 8.300 nan 0.000 0.571 297 N N 3.523 121.766 118.700 -0.761 0.000 2.740 297 N HA -0.303 4.437 4.740 -0.000 0.000 0.248 297 N C -0.046 175.277 175.510 -0.311 0.000 1.062 297 N CA 1.382 54.018 53.050 -0.689 0.000 0.704 297 N CB -0.987 36.906 38.487 -0.990 0.000 0.968 297 N HN 0.784 nan 8.380 nan 0.000 0.547 298 Q N -2.353 117.362 119.800 -0.141 0.000 2.480 298 Q HA -0.176 4.164 4.340 -0.000 0.000 0.265 298 Q C 1.174 177.173 176.000 -0.003 0.000 1.072 298 Q CA 2.201 57.990 55.803 -0.024 0.000 1.018 298 Q CB -1.849 26.864 28.738 -0.042 0.000 1.433 298 Q HN 1.203 nan 8.270 nan 0.000 0.513 299 G N -1.064 107.712 108.800 -0.040 0.000 2.162 299 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 299 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 299 G C 0.063 175.008 174.900 0.075 0.000 0.976 299 G CA 0.367 45.446 45.100 -0.035 0.000 0.655 299 G HN 0.440 nan 8.290 nan 0.000 0.533 300 Q N 0.002 119.818 119.800 0.027 0.000 3.150 300 Q HA 0.494 4.834 4.340 -0.000 0.000 0.297 300 Q C -0.031 175.932 176.000 -0.062 0.000 1.382 300 Q CA 0.002 55.825 55.803 0.034 0.000 1.059 300 Q CB 0.685 29.443 28.738 0.032 0.000 1.559 300 Q HN 0.424 nan 8.270 nan 0.000 0.548 301 C N 0.148 119.560 119.300 0.187 0.000 2.608 301 C HA 0.312 4.772 4.460 -0.000 0.000 0.325 301 C C 1.956 177.193 174.990 0.412 0.000 1.147 301 C CA -0.740 58.457 59.018 0.299 0.000 1.359 301 C CB 0.343 28.327 27.740 0.406 0.000 1.912 301 C HN 0.985 nan 8.230 nan 0.000 0.466 302 C N 1.916 121.414 119.300 0.329 0.000 2.411 302 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 302 C C 1.839 177.124 174.990 0.492 0.000 1.288 302 C CA 1.478 60.756 59.018 0.433 0.000 1.764 302 C CB -2.451 25.465 27.740 0.293 0.000 1.974 302 C HN 1.054 nan 8.230 nan 0.000 0.498 303 C N 1.024 120.649 119.300 0.542 0.000 2.647 303 C HA 0.762 5.222 4.460 -0.000 0.000 0.296 303 C C 1.228 176.563 174.990 0.576 0.000 1.403 303 C CA -0.848 58.516 59.018 0.576 0.000 1.781 303 C CB -2.402 25.814 27.740 0.793 0.000 2.464 303 C HN 0.764 nan 8.230 nan 0.000 0.559 304 A N 1.018 124.095 122.820 0.427 0.000 2.565 304 A HA 0.456 4.775 4.320 -0.000 0.000 0.237 304 A C 1.118 178.838 177.584 0.227 0.000 1.053 304 A CA 0.838 53.046 52.037 0.285 0.000 0.755 304 A CB -0.079 19.006 19.000 0.142 0.000 0.980 304 A HN 1.227 nan 8.150 nan 0.000 0.506 305 G N 1.603 110.434 108.800 0.051 0.000 2.985 305 G HA2 0.340 4.300 3.960 -0.000 0.000 0.282 305 G HA3 0.340 4.300 3.960 -0.000 0.000 0.282 305 G C 0.871 175.731 174.900 -0.066 0.000 0.791 305 G CA 0.390 45.479 45.100 -0.019 0.000 1.934 305 G HN 1.197 nan 8.290 nan 0.000 0.563 306 S N 0.795 116.488 115.700 -0.012 0.000 2.631 306 S HA 0.200 4.670 4.470 -0.000 0.000 0.217 306 S C 0.910 175.483 174.600 -0.045 0.000 0.958 306 S CA -0.351 57.815 58.200 -0.056 0.000 0.920 306 S CB 0.350 63.507 63.200 -0.071 0.000 0.776 306 S HN 0.414 nan 8.310 nan 0.000 0.517 307 R N 1.557 122.037 120.500 -0.034 0.000 2.576 307 R HA 0.253 4.593 4.340 -0.000 0.000 0.283 307 R C -1.281 174.935 176.300 -0.140 0.000 1.493 307 R CA -0.097 55.916 56.100 -0.146 0.000 1.170 307 R CB 1.322 31.552 30.300 -0.116 0.000 1.189 307 R HN 0.153 nan 8.270 nan 0.000 0.542 308 T N 3.726 118.203 114.554 -0.129 0.000 2.782 308 T HA 0.253 4.603 4.350 -0.000 0.000 0.298 308 T C -0.090 174.579 174.700 -0.053 0.000 0.944 308 T CA 0.046 62.132 62.100 -0.023 0.000 1.001 308 T CB -0.151 68.753 68.868 0.061 0.000 0.932 308 T HN 0.172 nan 8.240 nan 0.000 0.524 309 F N 2.674 122.687 119.950 0.104 0.000 2.424 309 F HA 0.423 4.950 4.527 -0.000 0.000 0.356 309 F C 0.366 176.364 175.800 0.330 0.000 1.110 309 F CA -0.639 57.487 58.000 0.211 0.000 1.161 309 F CB 0.866 39.883 39.000 0.029 0.000 1.115 309 F HN 0.185 nan 8.300 nan 0.000 0.507 310 V N 4.038 124.268 119.914 0.527 0.000 2.487 310 V HA 0.242 4.362 4.120 -0.000 0.000 0.298 310 V C -0.168 175.835 176.094 -0.151 0.000 1.028 310 V CA -1.113 61.285 62.300 0.163 0.000 0.860 310 V CB 1.609 33.368 31.823 -0.106 0.000 0.991 310 V HN 0.639 nan 8.190 nan 0.000 0.427 311 Q N 2.522 121.960 119.800 -0.604 0.000 2.311 311 Q HA 0.038 4.378 4.340 -0.000 0.000 0.272 311 Q C 1.472 177.242 176.000 -0.382 0.000 1.012 311 Q CA 0.288 55.459 55.803 -1.053 0.000 0.891 311 Q CB 0.829 29.158 28.738 -0.682 0.000 1.201 311 Q HN 0.941 nan 8.270 nan 0.000 0.391 312 E N 2.913 122.907 120.200 -0.344 0.000 2.136 312 E HA -0.336 4.014 4.350 -0.000 0.000 0.202 312 E C 0.156 176.739 176.600 -0.029 0.000 1.019 312 E CA 1.924 58.245 56.400 -0.131 0.000 0.819 312 E CB -0.055 29.560 29.700 -0.142 0.000 0.739 312 E HN 0.648 nan 8.360 nan 0.000 0.458 313 D N 0.916 121.286 120.400 -0.050 0.000 2.310 313 D HA -0.060 4.580 4.640 -0.000 0.000 0.212 313 D C 1.996 178.318 176.300 0.037 0.000 0.965 313 D CA 1.296 55.295 54.000 -0.002 0.000 0.879 313 D CB 0.002 40.795 40.800 -0.012 0.000 0.921 313 D HN 0.644 nan 8.370 nan 0.000 0.510 314 I N -3.845 116.752 120.570 0.045 0.000 4.154 314 I HA 0.153 4.323 4.170 -0.000 0.000 0.334 314 I C 1.922 178.121 176.117 0.138 0.000 1.371 314 I CA -0.579 60.771 61.300 0.083 0.000 1.110 314 I CB -0.063 37.980 38.000 0.071 0.000 1.085 314 I HN -0.275 nan 8.210 nan 0.000 0.398 315 Y N 3.152 123.462 120.300 0.017 0.000 2.014 315 Y HA -0.340 4.210 4.550 -0.000 0.000 0.272 315 Y C 2.182 178.152 175.900 0.118 0.000 1.164 315 Y CA 2.506 60.642 58.100 0.060 0.000 1.114 315 Y CB -0.205 38.263 38.460 0.013 0.000 0.961 315 Y HN 0.225 nan 8.280 nan 0.000 0.489 316 D N -0.032 120.516 120.400 0.246 0.000 2.116 316 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 316 D C 2.070 178.389 176.300 0.031 0.000 0.998 316 D CA 1.876 55.955 54.000 0.131 0.000 0.836 316 D CB -0.494 40.397 40.800 0.152 0.000 0.951 316 D HN 0.632 nan 8.370 nan 0.000 0.449 317 E N -0.312 119.924 120.200 0.059 0.000 2.051 317 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 317 E C 2.121 178.731 176.600 0.017 0.000 0.991 317 E CA 0.480 56.902 56.400 0.037 0.000 0.799 317 E CB -0.202 29.534 29.700 0.060 0.000 0.748 317 E HN 0.170 nan 8.360 nan 0.000 0.449 318 F N 0.914 120.809 119.950 -0.090 0.000 2.095 318 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 318 F C 2.109 177.814 175.800 -0.159 0.000 1.104 318 F CA 1.498 59.431 58.000 -0.113 0.000 1.232 318 F CB -0.359 38.572 39.000 -0.114 0.000 0.987 318 F HN -0.109 nan 8.300 nan 0.000 0.475 319 V N 0.483 120.329 119.914 -0.114 0.000 2.332 319 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 319 V C 2.382 178.370 176.094 -0.177 0.000 1.055 319 V CA 2.322 64.500 62.300 -0.203 0.000 1.038 319 V CB -0.839 30.800 31.823 -0.307 0.000 0.651 319 V HN 0.473 nan 8.190 nan 0.000 0.450 320 E N 0.226 120.347 120.200 -0.132 0.000 2.051 320 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 320 E C 2.425 178.939 176.600 -0.144 0.000 0.991 320 E CA 1.495 57.832 56.400 -0.105 0.000 0.799 320 E CB -0.062 29.600 29.700 -0.062 0.000 0.748 320 E HN 0.542 nan 8.360 nan 0.000 0.449 321 R N -0.100 120.283 120.500 -0.194 0.000 2.115 321 R HA -0.006 4.334 4.340 -0.000 0.000 0.230 321 R C 2.584 178.709 176.300 -0.291 0.000 1.111 321 R CA 1.285 57.249 56.100 -0.228 0.000 0.976 321 R CB -0.031 30.125 30.300 -0.239 0.000 0.870 321 R HN 0.054 nan 8.270 nan 0.000 0.445 322 S N 0.144 115.617 115.700 -0.378 0.000 2.371 322 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 322 S C 2.054 176.558 174.600 -0.161 0.000 1.029 322 S CA 0.959 58.968 58.200 -0.318 0.000 0.978 322 S CB -0.011 62.964 63.200 -0.375 0.000 0.833 322 S HN 0.052 nan 8.310 nan 0.000 0.466 323 V N 2.102 121.932 119.914 -0.140 0.000 2.343 323 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 323 V C 2.644 178.669 176.094 -0.115 0.000 1.051 323 V CA 1.705 63.948 62.300 -0.096 0.000 1.036 323 V CB -1.158 30.616 31.823 -0.081 0.000 0.654 323 V HN 0.531 nan 8.190 nan 0.000 0.451 324 A N 0.301 123.041 122.820 -0.133 0.000 1.902 324 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 324 A C 2.301 179.780 177.584 -0.174 0.000 1.181 324 A CA 2.117 54.074 52.037 -0.133 0.000 0.623 324 A CB -0.512 18.414 19.000 -0.123 0.000 0.818 324 A HN 0.463 nan 8.150 nan 0.000 0.443 325 R N 0.213 120.573 120.500 -0.233 0.000 2.081 325 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 325 R C 2.117 178.178 176.300 -0.398 0.000 1.131 325 R CA 1.911 57.791 56.100 -0.368 0.000 0.960 325 R CB -0.850 29.160 30.300 -0.484 0.000 0.856 325 R HN 0.378 nan 8.270 nan 0.000 0.436 326 A N 0.661 123.329 122.820 -0.253 0.000 1.898 326 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 326 A C 1.957 179.426 177.584 -0.191 0.000 1.181 326 A CA 1.654 53.554 52.037 -0.227 0.000 0.620 326 A CB -0.382 18.551 19.000 -0.110 0.000 0.819 326 A HN 0.385 nan 8.150 nan 0.000 0.442 327 K N 0.399 120.713 120.400 -0.144 0.000 2.211 327 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 327 K C 2.099 178.634 176.600 -0.109 0.000 1.050 327 K CA 1.442 57.663 56.287 -0.109 0.000 0.945 327 K CB -0.129 32.318 32.500 -0.089 0.000 0.732 327 K HN 0.655 nan 8.250 nan 0.000 0.451 328 S N 0.670 116.289 115.700 -0.134 0.000 2.527 328 S HA -0.031 4.439 4.470 -0.000 0.000 0.222 328 S C 0.904 175.439 174.600 -0.109 0.000 0.985 328 S CA -0.232 57.899 58.200 -0.116 0.000 0.921 328 S CB -0.099 63.023 63.200 -0.130 0.000 0.772 328 S HN 0.145 nan 8.310 nan 0.000 0.529 329 R N 2.082 122.502 120.500 -0.132 0.000 2.404 329 R HA 0.226 4.566 4.340 -0.000 0.000 0.315 329 R C -0.994 175.275 176.300 -0.052 0.000 1.032 329 R CA -0.166 55.881 56.100 -0.088 0.000 0.992 329 R CB 0.178 30.405 30.300 -0.121 0.000 0.959 329 R HN 0.158 nan 8.270 nan 0.000 0.428 330 V N 6.399 126.300 119.914 -0.022 0.000 2.439 330 V HA 0.076 4.196 4.120 -0.000 0.000 0.271 330 V C 0.207 176.308 176.094 0.012 0.000 1.040 330 V CA -0.228 62.065 62.300 -0.012 0.000 1.002 330 V CB 1.041 32.861 31.823 -0.004 0.000 1.000 330 V HN 0.466 nan 8.190 nan 0.000 0.477 331 V N 5.124 125.039 119.914 0.002 0.000 2.427 331 V HA 0.981 5.101 4.120 -0.000 0.000 0.286 331 V C 0.702 176.762 176.094 -0.057 0.000 1.034 331 V CA 0.642 62.967 62.300 0.040 0.000 0.893 331 V CB 0.999 32.862 31.823 0.066 0.000 0.982 331 V HN 1.139 nan 8.190 nan 0.000 0.452 332 G N 3.669 112.461 108.800 -0.013 0.000 2.356 332 G HA2 0.139 4.099 3.960 -0.000 0.000 0.281 332 G HA3 0.139 4.099 3.960 -0.000 0.000 0.281 332 G C -0.887 174.055 174.900 0.072 0.000 1.246 332 G CA -0.810 44.177 45.100 -0.188 0.000 0.889 332 G HN 0.673 nan 8.290 nan 0.000 0.486 333 N N 2.068 120.780 118.700 0.021 0.000 2.386 333 N HA 0.154 4.894 4.740 -0.000 0.000 0.273 333 N C -0.485 175.100 175.510 0.126 0.000 1.331 333 N CA -0.870 52.259 53.050 0.131 0.000 0.891 333 N CB 1.251 39.791 38.487 0.088 0.000 1.139 333 N HN 0.152 nan 8.380 nan 0.000 0.487 334 P HA -0.148 nan 4.420 nan 0.000 0.221 334 P C 0.709 177.951 177.300 -0.097 0.000 1.145 334 P CA 1.263 64.334 63.100 -0.048 0.000 0.795 334 P CB -0.063 31.528 31.700 -0.182 0.000 0.775 335 F N -0.301 119.690 119.950 0.069 0.000 2.780 335 F HA 0.083 4.610 4.527 -0.000 0.000 0.299 335 F C 1.272 177.095 175.800 0.037 0.000 1.146 335 F CA -0.050 57.972 58.000 0.037 0.000 1.428 335 F CB -0.124 38.845 39.000 -0.052 0.000 1.115 335 F HN -0.133 nan 8.300 nan 0.000 0.583 336 D N 0.206 120.715 120.400 0.182 0.000 2.312 336 D HA -0.011 4.629 4.640 -0.000 0.000 0.252 336 D C 1.319 177.685 176.300 0.111 0.000 1.150 336 D CA 0.266 54.336 54.000 0.117 0.000 0.870 336 D CB 1.482 42.324 40.800 0.071 0.000 1.153 336 D HN 0.143 nan 8.370 nan 0.000 0.457 337 S N 3.799 119.562 115.700 0.105 0.000 2.419 337 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 337 S C 1.366 176.011 174.600 0.074 0.000 1.019 337 S CA 0.894 59.154 58.200 0.100 0.000 0.982 337 S CB -0.047 63.204 63.200 0.085 0.000 0.789 337 S HN 0.517 nan 8.310 nan 0.000 0.490 338 K N 0.849 121.282 120.400 0.056 0.000 2.418 338 K HA 0.111 4.431 4.320 -0.000 0.000 0.195 338 K C 0.043 176.669 176.600 0.043 0.000 1.035 338 K CA 0.330 56.642 56.287 0.041 0.000 1.003 338 K CB -0.082 32.431 32.500 0.023 0.000 0.793 338 K HN 0.316 nan 8.250 nan 0.000 0.494 339 T N 1.719 116.306 114.554 0.054 0.000 2.834 339 T HA 0.040 4.390 4.350 -0.000 0.000 0.298 339 T C 0.816 175.558 174.700 0.070 0.000 0.966 339 T CA 0.305 62.440 62.100 0.058 0.000 1.141 339 T CB 1.082 69.991 68.868 0.068 0.000 0.905 339 T HN 0.186 nan 8.240 nan 0.000 0.535 340 E N 1.651 121.894 120.200 0.071 0.000 2.340 340 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 340 E C 0.721 177.378 176.600 0.094 0.000 0.961 340 E CA 0.113 56.569 56.400 0.094 0.000 0.905 340 E CB 0.640 30.397 29.700 0.095 0.000 0.884 340 E HN 0.541 nan 8.360 nan 0.000 0.491 341 Q N 0.396 120.249 119.800 0.088 0.000 2.292 341 Q HA 0.430 4.770 4.340 -0.000 0.000 0.270 341 Q C -0.530 175.555 176.000 0.141 0.000 1.024 341 Q CA -0.611 55.249 55.803 0.096 0.000 0.768 341 Q CB 1.739 30.539 28.738 0.104 0.000 1.250 341 Q HN 0.136 nan 8.270 nan 0.000 0.447 342 G N 3.207 112.055 108.800 0.080 0.000 2.543 342 G HA2 0.577 4.537 3.960 -0.000 0.000 0.267 342 G HA3 0.577 4.537 3.960 -0.000 0.000 0.267 342 G C -2.509 172.342 174.900 -0.081 0.000 1.406 342 G CA -0.935 44.211 45.100 0.077 0.000 1.048 342 G HN 0.565 nan 8.290 nan 0.000 0.548 343 P HA 0.230 nan 4.420 nan 0.000 0.279 343 P C -0.847 176.281 177.300 -0.287 0.000 1.276 343 P CA -0.455 62.208 63.100 -0.728 0.000 0.801 343 P CB 1.069 32.036 31.700 -1.223 0.000 1.127 344 Q N -0.170 119.538 119.800 -0.154 0.000 2.443 344 Q HA 0.068 4.407 4.340 -0.000 0.000 0.232 344 Q C 1.359 177.241 176.000 -0.198 0.000 1.026 344 Q CA -0.372 55.370 55.803 -0.102 0.000 0.924 344 Q CB 0.264 29.005 28.738 0.005 0.000 1.256 344 Q HN 0.186 nan 8.270 nan 0.000 0.519 345 V N 0.635 120.343 119.914 -0.345 0.000 2.392 345 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 345 V C 0.363 176.184 176.094 -0.455 0.000 1.059 345 V CA 2.687 64.697 62.300 -0.484 0.000 1.051 345 V CB -0.096 31.143 31.823 -0.974 0.000 0.658 345 V HN 0.979 nan 8.190 nan 0.000 0.455 346 D N -3.585 116.461 120.400 -0.591 0.000 2.692 346 D HA 0.110 4.750 4.640 -0.000 0.000 0.303 346 D C 0.673 176.279 176.300 -1.156 0.000 1.278 346 D CA -0.094 53.442 54.000 -0.773 0.000 0.852 346 D CB 0.638 41.112 40.800 -0.544 0.000 1.375 346 D HN -0.010 nan 8.370 nan 0.000 0.453 347 E N -0.586 118.854 120.200 -1.267 0.000 2.077 347 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 347 E C 1.160 177.586 176.600 -0.290 0.000 0.989 347 E CA 1.789 57.696 56.400 -0.821 0.000 0.800 347 E CB -0.080 29.390 29.700 -0.384 0.000 0.746 347 E HN 0.530 nan 8.360 nan 0.000 0.452 348 T N 1.189 115.578 114.554 -0.274 0.000 2.684 348 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 348 T C 1.803 176.431 174.700 -0.119 0.000 1.036 348 T CA 1.209 63.215 62.100 -0.157 0.000 1.148 348 T CB -0.136 68.638 68.868 -0.156 0.000 0.863 348 T HN 0.151 nan 8.240 nan 0.000 0.436 349 Q N -0.015 119.679 119.800 -0.177 0.000 2.119 349 Q HA 0.038 4.378 4.340 -0.000 0.000 0.201 349 Q C 2.056 178.043 176.000 -0.022 0.000 0.972 349 Q CA 0.902 56.644 55.803 -0.101 0.000 0.847 349 Q CB -0.665 27.961 28.738 -0.186 0.000 0.903 349 Q HN 0.546 nan 8.270 nan 0.000 0.433 350 F N 2.063 121.881 119.950 -0.221 0.000 2.091 350 F HA -0.244 4.282 4.527 -0.000 0.000 0.299 350 F C 1.928 177.702 175.800 -0.044 0.000 1.103 350 F CA 1.695 59.624 58.000 -0.118 0.000 1.228 350 F CB -0.010 38.899 39.000 -0.152 0.000 0.984 350 F HN -0.024 nan 8.300 nan 0.000 0.477 351 K N -0.110 120.235 120.400 -0.093 0.000 2.103 351 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 351 K C 2.192 178.730 176.600 -0.103 0.000 1.052 351 K CA 1.235 57.427 56.287 -0.158 0.000 0.945 351 K CB -0.224 32.248 32.500 -0.048 0.000 0.722 351 K HN 0.200 nan 8.250 nan 0.000 0.443 352 K N 1.181 121.549 120.400 -0.053 0.000 2.057 352 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 352 K C 1.986 178.584 176.600 -0.003 0.000 1.049 352 K CA 1.200 57.478 56.287 -0.015 0.000 0.931 352 K CB -0.018 32.482 32.500 0.000 0.000 0.714 352 K HN 0.057 nan 8.250 nan 0.000 0.440 353 I N 0.823 121.372 120.570 -0.036 0.000 2.252 353 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 353 I C 2.034 178.175 176.117 0.039 0.000 1.102 353 I CA 0.993 62.283 61.300 -0.017 0.000 1.385 353 I CB -0.160 37.826 38.000 -0.023 0.000 1.064 353 I HN 0.156 nan 8.210 nan 0.000 0.414 354 L N 0.382 121.556 121.223 -0.082 0.000 2.083 354 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 354 L C 2.652 179.524 176.870 0.004 0.000 1.083 354 L CA 1.550 56.342 54.840 -0.081 0.000 0.752 354 L CB -1.082 40.833 42.059 -0.240 0.000 0.899 354 L HN 0.322 nan 8.230 nan 0.000 0.433 355 G N -1.156 107.650 108.800 0.009 0.000 2.408 355 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 355 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 355 G C 1.498 176.446 174.900 0.080 0.000 1.150 355 G CA 0.616 45.734 45.100 0.030 0.000 0.776 355 G HN 0.400 nan 8.290 nan 0.000 0.542 356 Y N 0.998 121.280 120.300 -0.031 0.000 2.200 356 Y HA 0.024 4.574 4.550 -0.000 0.000 0.290 356 Y C 2.508 178.397 175.900 -0.019 0.000 1.137 356 Y CA 1.165 59.244 58.100 -0.036 0.000 1.163 356 Y CB -0.062 38.379 38.460 -0.031 0.000 0.988 356 Y HN 0.156 nan 8.280 nan 0.000 0.518 357 I N 0.619 121.333 120.570 0.240 0.000 2.226 357 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 357 I C 2.520 178.721 176.117 0.140 0.000 1.100 357 I CA 1.623 63.078 61.300 0.260 0.000 1.374 357 I CB -0.562 37.611 38.000 0.288 0.000 1.057 357 I HN 0.421 nan 8.210 nan 0.000 0.413 358 N N 0.386 119.124 118.700 0.064 0.000 2.120 358 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 358 N C 1.709 177.194 175.510 -0.042 0.000 1.024 358 N CA 1.900 54.966 53.050 0.027 0.000 0.852 358 N CB 0.099 38.593 38.487 0.012 0.000 1.003 358 N HN 0.275 nan 8.380 nan 0.000 0.424 359 T N -0.286 114.202 114.554 -0.109 0.000 2.788 359 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 359 T C 1.753 176.285 174.700 -0.280 0.000 1.044 359 T CA 1.240 63.235 62.100 -0.176 0.000 1.139 359 T CB -0.627 68.119 68.868 -0.203 0.000 0.867 359 T HN 0.422 nan 8.240 nan 0.000 0.454 360 G N 1.711 110.242 108.800 -0.448 0.000 2.421 360 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 360 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 360 G C 1.606 176.295 174.900 -0.352 0.000 1.171 360 G CA 0.741 45.396 45.100 -0.741 0.000 0.775 360 G HN 0.437 nan 8.290 nan 0.000 0.543 361 K N 0.102 120.483 120.400 -0.032 0.000 2.057 361 K HA -0.046 4.273 4.320 -0.000 0.000 0.206 361 K C 2.710 179.318 176.600 0.013 0.000 1.050 361 K CA 1.239 57.593 56.287 0.110 0.000 0.935 361 K CB -0.167 32.422 32.500 0.148 0.000 0.715 361 K HN 0.329 nan 8.250 nan 0.000 0.439 362 Q N 0.684 120.465 119.800 -0.031 0.000 2.167 362 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 362 Q C 1.294 177.263 176.000 -0.052 0.000 0.970 362 Q CA 1.099 56.881 55.803 -0.036 0.000 0.855 362 Q CB 0.128 28.841 28.738 -0.042 0.000 0.911 362 Q HN 0.379 nan 8.270 nan 0.000 0.438 363 E N -0.861 119.284 120.200 -0.092 0.000 2.502 363 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 363 E C 0.708 177.266 176.600 -0.069 0.000 1.062 363 E CA 0.327 56.670 56.400 -0.094 0.000 0.867 363 E CB 0.439 30.053 29.700 -0.143 0.000 0.888 363 E HN 0.500 nan 8.360 nan 0.000 0.510 364 G N 1.015 109.789 108.800 -0.043 0.000 2.159 364 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.227 364 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.227 364 G C 0.326 175.234 174.900 0.014 0.000 0.986 364 G CA -0.087 45.007 45.100 -0.009 0.000 0.651 364 G HN 0.427 nan 8.290 nan 0.000 0.523 365 A N 0.193 123.010 122.820 -0.005 0.000 2.425 365 A HA 0.612 4.932 4.320 -0.000 0.000 0.249 365 A C 0.628 178.363 177.584 0.253 0.000 1.084 365 A CA 0.503 52.583 52.037 0.072 0.000 0.781 365 A CB 0.441 19.367 19.000 -0.123 0.000 1.019 365 A HN 0.515 nan 8.150 nan 0.000 0.490 366 K N 2.529 123.079 120.400 0.249 0.000 2.292 366 K HA 0.263 4.583 4.320 -0.000 0.000 0.290 366 K C -0.749 175.951 176.600 0.167 0.000 1.083 366 K CA -0.468 55.932 56.287 0.189 0.000 0.918 366 K CB 0.109 32.688 32.500 0.130 0.000 1.089 366 K HN 0.584 nan 8.250 nan 0.000 0.473 367 L N 6.464 127.722 121.223 0.058 0.000 2.433 367 L HA 0.070 4.410 4.340 -0.000 0.000 0.275 367 L C 0.288 177.063 176.870 -0.159 0.000 1.128 367 L CA 0.569 55.251 54.840 -0.263 0.000 0.875 367 L CB 0.430 42.353 42.059 -0.226 0.000 1.171 367 L HN 0.776 nan 8.230 nan 0.000 0.463 368 L N 4.801 125.914 121.223 -0.183 0.000 2.463 368 L HA 0.235 4.575 4.340 -0.000 0.000 0.219 368 L C 0.398 177.209 176.870 -0.098 0.000 1.088 368 L CA 0.136 54.919 54.840 -0.095 0.000 0.849 368 L CB -0.094 41.932 42.059 -0.055 0.000 1.012 368 L HN 0.822 nan 8.230 nan 0.000 0.468 369 C N -3.114 116.104 119.300 -0.137 0.000 3.253 369 C HA 0.727 5.187 4.460 -0.000 0.000 0.342 369 C C 0.710 175.635 174.990 -0.108 0.000 1.306 369 C CA -0.617 58.342 59.018 -0.099 0.000 1.207 369 C CB 0.816 28.514 27.740 -0.070 0.000 1.479 369 C HN 0.616 nan 8.230 nan 0.000 0.469 370 G N 0.882 109.642 108.800 -0.065 0.000 2.566 370 G HA2 0.344 4.304 3.960 -0.000 0.000 0.280 370 G HA3 0.344 4.304 3.960 -0.000 0.000 0.280 370 G C 1.351 176.218 174.900 -0.054 0.000 1.225 370 G CA 2.429 47.507 45.100 -0.038 0.000 0.966 370 G HN 3.339 nan 8.290 nan 0.000 0.560 371 G N -2.282 106.500 108.800 -0.029 0.000 2.195 371 G HA2 0.411 4.371 3.960 -0.000 0.000 0.224 371 G HA3 0.411 4.371 3.960 -0.000 0.000 0.224 371 G C 1.416 176.329 174.900 0.021 0.000 0.990 371 G CA 1.025 46.114 45.100 -0.019 0.000 0.639 371 G HN 2.531 nan 8.290 nan 0.000 0.514 372 G N -0.912 107.905 108.800 0.029 0.000 3.105 372 G HA2 0.689 4.649 3.960 -0.000 0.000 0.277 372 G HA3 0.689 4.649 3.960 -0.000 0.000 0.277 372 G C -0.209 174.736 174.900 0.074 0.000 1.375 372 G CA -0.854 44.268 45.100 0.037 0.000 0.962 372 G HN 0.596 nan 8.290 nan 0.000 0.541 373 I N 1.004 121.631 120.570 0.094 0.000 2.692 373 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 373 I C 1.382 177.598 176.117 0.164 0.000 1.159 373 I CA -0.043 61.375 61.300 0.197 0.000 1.423 373 I CB 1.685 39.835 38.000 0.250 0.000 1.380 373 I HN 0.539 nan 8.210 nan 0.000 0.580 374 A N 5.000 127.944 122.820 0.207 0.000 2.348 374 A HA 0.683 5.002 4.320 -0.000 0.000 0.224 374 A C 0.664 178.263 177.584 0.025 0.000 1.227 374 A CA 0.508 52.611 52.037 0.110 0.000 0.885 374 A CB 0.108 19.183 19.000 0.124 0.000 0.933 374 A HN 0.824 nan 8.150 nan 0.000 0.506 375 A N -0.360 122.505 122.820 0.075 0.000 2.608 375 A HA 0.512 4.832 4.320 -0.000 0.000 0.292 375 A C -0.416 177.203 177.584 0.057 0.000 1.066 375 A CA 0.072 52.097 52.037 -0.019 0.000 0.676 375 A CB 0.210 19.074 19.000 -0.226 0.000 1.277 375 A HN 0.144 nan 8.150 nan 0.000 0.413 376 D N -0.067 120.340 120.400 0.013 0.000 2.347 376 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 376 D C 0.665 176.963 176.300 -0.003 0.000 0.985 376 D CA 0.544 54.560 54.000 0.026 0.000 0.879 376 D CB 0.245 41.051 40.800 0.010 0.000 0.919 376 D HN 0.491 nan 8.370 nan 0.000 0.526 377 R N 0.171 120.661 120.500 -0.017 0.000 2.561 377 R HA 0.507 4.847 4.340 -0.000 0.000 0.297 377 R C -0.081 176.211 176.300 -0.013 0.000 0.969 377 R CA -0.026 56.041 56.100 -0.054 0.000 0.879 377 R CB 1.194 31.467 30.300 -0.045 0.000 1.178 377 R HN 0.143 nan 8.270 nan 0.000 0.445 378 G N 2.377 111.007 108.800 -0.283 0.000 2.710 378 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.668 378 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.668 378 G C -1.041 173.352 174.900 -0.845 0.000 1.320 378 G CA -0.439 44.330 45.100 -0.552 0.000 0.860 378 G HN 0.631 nan 8.290 nan 0.000 0.538 379 Y N -0.101 119.794 120.300 -0.675 0.000 2.845 379 Y HA 0.517 5.067 4.550 -0.000 0.000 0.385 379 Y C 0.632 176.264 175.900 -0.447 0.000 1.133 379 Y CA -0.728 56.836 58.100 -0.892 0.000 1.660 379 Y CB 0.008 38.049 38.460 -0.698 0.000 1.683 379 Y HN 0.328 nan 8.280 nan 0.000 0.503 380 F N 1.730 121.653 119.950 -0.045 0.000 2.420 380 F HA 0.418 4.945 4.527 -0.000 0.000 0.352 380 F C 0.284 176.244 175.800 0.266 0.000 1.108 380 F CA -0.660 57.403 58.000 0.104 0.000 1.162 380 F CB 0.580 39.595 39.000 0.025 0.000 1.118 380 F HN 0.045 nan 8.300 nan 0.000 0.510 381 I N 2.950 123.763 120.570 0.404 0.000 2.530 381 I HA 0.252 4.422 4.170 -0.000 0.000 0.297 381 I C -0.442 175.807 176.117 0.220 0.000 1.011 381 I CA -1.057 60.424 61.300 0.303 0.000 1.107 381 I CB 1.966 40.112 38.000 0.243 0.000 1.285 381 I HN 0.524 nan 8.210 nan 0.000 0.436 382 Q N 5.655 125.551 119.800 0.160 0.000 2.332 382 Q HA 0.200 4.540 4.340 -0.000 0.000 0.263 382 Q C -2.318 173.754 176.000 0.121 0.000 0.979 382 Q CA -1.584 54.284 55.803 0.107 0.000 0.885 382 Q CB 0.136 28.911 28.738 0.061 0.000 1.218 382 Q HN 0.256 nan 8.270 nan 0.000 0.405 383 P HA -0.048 nan 4.420 nan 0.000 0.262 383 P C -1.099 176.296 177.300 0.159 0.000 1.199 383 P CA 0.591 63.773 63.100 0.137 0.000 0.763 383 P CB 0.541 32.124 31.700 -0.195 0.000 0.790 384 T N 2.904 117.624 114.554 0.276 0.000 2.856 384 T HA 0.514 4.864 4.350 -0.000 0.000 0.283 384 T C -0.392 174.388 174.700 0.135 0.000 1.008 384 T CA -0.463 61.703 62.100 0.111 0.000 0.997 384 T CB 1.137 70.045 68.868 0.066 0.000 0.992 384 T HN -0.057 nan 8.240 nan 0.000 0.454 385 V N 3.287 123.175 119.914 -0.042 0.000 2.577 385 V HA 0.536 4.656 4.120 -0.000 0.000 0.303 385 V C -1.173 174.814 176.094 -0.179 0.000 1.042 385 V CA -0.913 61.387 62.300 0.000 0.000 0.872 385 V CB 1.450 33.306 31.823 0.055 0.000 0.998 385 V HN 0.833 nan 8.190 nan 0.000 0.423 386 F N 2.284 122.270 119.950 0.060 0.000 2.444 386 F HA 0.770 5.297 4.527 -0.000 0.000 0.342 386 F C 0.910 176.743 175.800 0.054 0.000 1.121 386 F CA -0.255 57.770 58.000 0.041 0.000 0.997 386 F CB 2.093 41.100 39.000 0.013 0.000 1.130 386 F HN 0.608 nan 8.300 nan 0.000 0.454 387 G N 0.777 109.726 108.800 0.248 0.000 2.491 387 G HA2 0.354 4.314 3.960 -0.000 0.000 0.327 387 G HA3 0.354 4.314 3.960 -0.000 0.000 0.327 387 G C -0.516 174.531 174.900 0.247 0.000 1.189 387 G CA -0.655 44.587 45.100 0.237 0.000 0.956 387 G HN 0.736 nan 8.290 nan 0.000 0.491 388 D N -1.090 119.491 120.400 0.303 0.000 2.708 388 D HA -0.167 4.473 4.640 -0.000 0.000 0.236 388 D C 0.630 176.984 176.300 0.091 0.000 1.146 388 D CA 0.650 54.745 54.000 0.159 0.000 0.662 388 D CB -1.293 39.569 40.800 0.104 0.000 1.059 388 D HN 0.196 nan 8.370 nan 0.000 0.428 389 V N 0.658 120.626 119.914 0.090 0.000 2.715 389 V HA 0.038 4.158 4.120 -0.000 0.000 0.299 389 V C 0.895 176.988 176.094 -0.002 0.000 1.054 389 V CA 0.174 62.482 62.300 0.014 0.000 1.077 389 V CB 1.653 33.465 31.823 -0.018 0.000 0.972 389 V HN 0.064 nan 8.190 nan 0.000 0.484 390 Q N 1.784 121.572 119.800 -0.021 0.000 2.301 390 Q HA 0.335 4.675 4.340 -0.000 0.000 0.267 390 Q C 0.347 176.345 176.000 -0.002 0.000 1.035 390 Q CA -0.758 55.046 55.803 0.001 0.000 0.856 390 Q CB 1.595 30.331 28.738 -0.004 0.000 1.337 390 Q HN 0.668 nan 8.270 nan 0.000 0.450 391 D N 1.125 121.547 120.400 0.038 0.000 2.182 391 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 391 D C 1.531 177.842 176.300 0.018 0.000 0.986 391 D CA 1.554 55.584 54.000 0.050 0.000 0.847 391 D CB -0.048 40.807 40.800 0.092 0.000 0.942 391 D HN 0.821 nan 8.370 nan 0.000 0.467 392 G N -0.136 108.667 108.800 0.004 0.000 2.572 392 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 392 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 392 G C 0.794 175.673 174.900 -0.035 0.000 1.133 392 G CA -0.128 44.965 45.100 -0.010 0.000 0.791 392 G HN 0.174 nan 8.290 nan 0.000 0.538 393 M N 0.595 120.161 119.600 -0.056 0.000 2.252 393 M HA 0.112 4.592 4.480 -0.000 0.000 0.333 393 M C 1.848 178.082 176.300 -0.111 0.000 1.111 393 M CA -0.024 55.215 55.300 -0.102 0.000 1.140 393 M CB 0.812 33.326 32.600 -0.143 0.000 1.538 393 M HN -0.078 nan 8.290 nan 0.000 0.448 394 T N 2.255 116.722 114.554 -0.144 0.000 2.746 394 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 394 T C 1.481 176.088 174.700 -0.154 0.000 1.039 394 T CA 1.570 63.593 62.100 -0.130 0.000 1.142 394 T CB -0.409 68.370 68.868 -0.148 0.000 0.866 394 T HN 0.760 nan 8.240 nan 0.000 0.444 395 I N -0.672 119.702 120.570 -0.327 0.000 3.334 395 I HA 0.233 4.403 4.170 -0.000 0.000 0.282 395 I C 1.957 178.016 176.117 -0.097 0.000 1.313 395 I CA 0.626 61.704 61.300 -0.370 0.000 1.396 395 I CB -0.310 37.223 38.000 -0.778 0.000 1.054 395 I HN 0.074 nan 8.210 nan 0.000 0.495 396 A N 0.915 123.682 122.820 -0.088 0.000 2.343 396 A HA 0.267 4.587 4.320 -0.000 0.000 0.223 396 A C 2.041 179.621 177.584 -0.007 0.000 1.214 396 A CA -0.104 51.904 52.037 -0.049 0.000 0.900 396 A CB 0.080 19.044 19.000 -0.060 0.000 0.942 396 A HN 0.402 nan 8.150 nan 0.000 0.507 397 K N -0.472 119.927 120.400 -0.001 0.000 2.424 397 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 397 K C 0.357 176.968 176.600 0.018 0.000 1.190 397 K CA 0.065 56.359 56.287 0.013 0.000 0.935 397 K CB 0.834 33.337 32.500 0.006 0.000 1.087 397 K HN 0.450 nan 8.250 nan 0.000 0.524 398 E N 2.286 122.511 120.200 0.042 0.000 2.175 398 E HA 0.066 4.416 4.350 -0.000 0.000 0.278 398 E C -1.268 175.327 176.600 -0.007 0.000 0.969 398 E CA -0.350 56.074 56.400 0.040 0.000 0.796 398 E CB 1.303 31.058 29.700 0.090 0.000 1.104 398 E HN -0.109 nan 8.360 nan 0.000 0.395 399 E N 3.856 123.955 120.200 -0.168 0.000 2.194 399 E HA 0.128 4.478 4.350 -0.000 0.000 0.284 399 E C 0.093 176.343 176.600 -0.583 0.000 1.035 399 E CA -0.206 55.932 56.400 -0.437 0.000 0.836 399 E CB 0.674 29.994 29.700 -0.634 0.000 1.070 399 E HN 0.609 nan 8.360 nan 0.000 0.401 400 I N 1.801 121.969 120.570 -0.670 0.000 4.018 400 I HA 0.348 4.518 4.170 -0.000 0.000 0.337 400 I C -0.098 175.870 176.117 -0.248 0.000 1.327 400 I CA -0.354 60.619 61.300 -0.544 0.000 1.100 400 I CB -0.663 36.801 38.000 -0.893 0.000 1.025 400 I HN 0.496 nan 8.210 nan 0.000 0.396 401 F N 1.585 121.448 119.950 -0.144 0.000 2.969 401 F HA -0.066 4.461 4.527 -0.000 0.000 0.273 401 F C 0.850 176.613 175.800 -0.061 0.000 0.986 401 F CA 0.424 58.389 58.000 -0.057 0.000 0.926 401 F CB -1.680 37.343 39.000 0.038 0.000 0.887 401 F HN 0.477 nan 8.300 nan 0.000 0.816 402 G N -0.119 108.666 108.800 -0.025 0.000 2.725 402 G HA2 0.704 4.664 3.960 -0.000 0.000 0.288 402 G HA3 0.704 4.664 3.960 -0.000 0.000 0.288 402 G C -2.920 171.950 174.900 -0.051 0.000 1.399 402 G CA -1.226 43.865 45.100 -0.016 0.000 0.859 402 G HN -0.146 nan 8.290 nan 0.000 0.479 403 P HA 0.249 nan 4.420 nan 0.000 0.225 403 P C -0.622 176.733 177.300 0.092 0.000 1.768 403 P CA -0.070 63.080 63.100 0.085 0.000 0.943 403 P CB 0.213 32.120 31.700 0.345 0.000 1.936 404 V N 2.964 122.839 119.914 -0.065 0.000 2.409 404 V HA 0.342 4.462 4.120 -0.000 0.000 0.290 404 V C 0.303 176.384 176.094 -0.022 0.000 1.017 404 V CA -0.656 61.700 62.300 0.094 0.000 0.841 404 V CB 2.002 34.007 31.823 0.304 0.000 1.003 404 V HN 0.301 nan 8.190 nan 0.000 0.426 405 M N 4.173 123.764 119.600 -0.015 0.000 2.209 405 M HA 0.576 5.056 4.480 -0.000 0.000 0.355 405 M C -0.841 175.533 176.300 0.124 0.000 1.171 405 M CA -0.352 54.922 55.300 -0.045 0.000 1.069 405 M CB 1.435 34.007 32.600 -0.046 0.000 1.622 405 M HN 0.629 nan 8.290 nan 0.000 0.459 406 Q N 5.128 124.971 119.800 0.071 0.000 2.333 406 Q HA 0.577 4.917 4.340 -0.000 0.000 0.265 406 Q C -1.251 174.770 176.000 0.035 0.000 0.989 406 Q CA 0.035 55.886 55.803 0.080 0.000 0.842 406 Q CB 1.790 30.531 28.738 0.005 0.000 1.262 406 Q HN 0.699 nan 8.270 nan 0.000 0.451 407 I N 4.088 124.713 120.570 0.092 0.000 2.355 407 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 407 I C -0.948 175.261 176.117 0.153 0.000 0.999 407 I CA -0.880 60.485 61.300 0.109 0.000 1.163 407 I CB 0.839 38.922 38.000 0.139 0.000 1.316 407 I HN 0.323 nan 8.210 nan 0.000 0.454 408 L N 6.475 127.731 121.223 0.056 0.000 2.334 408 L HA 0.525 4.865 4.340 -0.000 0.000 0.273 408 L C -0.049 177.004 176.870 0.304 0.000 1.013 408 L CA -0.476 54.410 54.840 0.077 0.000 0.816 408 L CB 1.384 43.294 42.059 -0.248 0.000 1.278 408 L HN 0.456 nan 8.230 nan 0.000 0.431 409 K N 1.900 122.432 120.400 0.221 0.000 2.138 409 K HA 0.693 5.013 4.320 -0.000 0.000 0.263 409 K C -1.398 175.373 176.600 0.285 0.000 0.965 409 K CA -0.476 55.893 56.287 0.137 0.000 0.868 409 K CB 1.174 33.453 32.500 -0.368 0.000 1.083 409 K HN 0.529 nan 8.250 nan 0.000 0.443 410 F N 0.913 120.942 119.950 0.131 0.000 2.643 410 F HA 0.451 4.978 4.527 -0.000 0.000 0.314 410 F C 0.245 176.078 175.800 0.056 0.000 1.096 410 F CA -0.959 57.104 58.000 0.105 0.000 0.953 410 F CB 1.557 40.638 39.000 0.134 0.000 1.345 410 F HN 0.494 nan 8.300 nan 0.000 0.468 411 K N 0.025 120.503 120.400 0.130 0.000 2.216 411 K HA 0.195 4.515 4.320 -0.000 0.000 0.207 411 K C 0.204 176.868 176.600 0.107 0.000 1.041 411 K CA 1.100 57.390 56.287 0.005 0.000 0.966 411 K CB 0.237 32.755 32.500 0.030 0.000 0.955 411 K HN 0.904 nan 8.250 nan 0.000 0.468 412 T N -1.967 112.734 114.554 0.244 0.000 2.940 412 T HA 0.261 4.611 4.350 -0.000 0.000 0.288 412 T C 1.157 176.013 174.700 0.260 0.000 1.033 412 T CA -0.833 61.389 62.100 0.204 0.000 1.033 412 T CB 1.535 70.459 68.868 0.092 0.000 1.079 412 T HN 0.200 nan 8.240 nan 0.000 0.496 413 I N 0.542 121.207 120.570 0.159 0.000 2.286 413 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 413 I C 2.077 178.232 176.117 0.062 0.000 1.115 413 I CA 1.606 62.959 61.300 0.089 0.000 1.392 413 I CB -0.006 37.987 38.000 -0.012 0.000 1.065 413 I HN 0.769 nan 8.210 nan 0.000 0.418 414 E N 0.567 120.799 120.200 0.054 0.000 2.106 414 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 414 E C 1.956 178.576 176.600 0.032 0.000 0.984 414 E CA 1.186 57.637 56.400 0.085 0.000 0.806 414 E CB -0.213 29.525 29.700 0.063 0.000 0.750 414 E HN 0.533 nan 8.360 nan 0.000 0.458 415 E N 0.459 120.675 120.200 0.027 0.000 2.031 415 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 415 E C 2.105 178.634 176.600 -0.118 0.000 0.994 415 E CA 1.243 57.645 56.400 0.003 0.000 0.800 415 E CB -0.085 29.665 29.700 0.082 0.000 0.752 415 E HN 0.164 nan 8.360 nan 0.000 0.447 416 V N 0.522 120.282 119.914 -0.256 0.000 2.490 416 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 416 V C 2.335 178.131 176.094 -0.495 0.000 1.061 416 V CA 1.481 63.400 62.300 -0.634 0.000 1.064 416 V CB -0.041 31.034 31.823 -1.247 0.000 0.670 416 V HN 0.220 nan 8.190 nan 0.000 0.461 417 V N 0.694 120.453 119.914 -0.258 0.000 2.255 417 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 417 V C 2.694 178.688 176.094 -0.168 0.000 1.051 417 V CA 2.298 64.489 62.300 -0.181 0.000 1.018 417 V CB -1.491 30.289 31.823 -0.072 0.000 0.641 417 V HN 0.633 nan 8.190 nan 0.000 0.445 418 G N -0.432 108.294 108.800 -0.123 0.000 2.422 418 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 418 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 418 G C 1.751 176.591 174.900 -0.099 0.000 1.146 418 G CA 0.738 45.787 45.100 -0.085 0.000 0.769 418 G HN 0.461 nan 8.290 nan 0.000 0.547 419 R N 0.368 120.768 120.500 -0.166 0.000 2.090 419 R HA 0.161 4.501 4.340 -0.000 0.000 0.228 419 R C 3.007 179.218 176.300 -0.149 0.000 1.110 419 R CA 0.941 56.961 56.100 -0.133 0.000 0.973 419 R CB -0.287 29.927 30.300 -0.143 0.000 0.869 419 R HN 0.337 nan 8.270 nan 0.000 0.440 420 A N 1.626 124.232 122.820 -0.356 0.000 1.898 420 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 420 A C 1.680 179.235 177.584 -0.049 0.000 1.181 420 A CA 1.383 53.294 52.037 -0.210 0.000 0.620 420 A CB -0.340 18.477 19.000 -0.305 0.000 0.819 420 A HN 0.209 nan 8.150 nan 0.000 0.442 421 N N 0.471 119.126 118.700 -0.074 0.000 2.396 421 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 421 N C 0.508 176.017 175.510 -0.002 0.000 1.028 421 N CA 0.293 53.324 53.050 -0.031 0.000 0.893 421 N CB -0.495 37.967 38.487 -0.043 0.000 0.967 421 N HN 0.419 nan 8.380 nan 0.000 0.440 422 N N 1.466 120.166 118.700 0.000 0.000 2.892 422 N HA -0.012 4.728 4.740 -0.000 0.000 0.300 422 N C -0.862 174.672 175.510 0.041 0.000 1.211 422 N CA 0.327 53.389 53.050 0.019 0.000 1.158 422 N CB -0.052 38.449 38.487 0.023 0.000 1.455 422 N HN 0.025 nan 8.380 nan 0.000 0.524 427 L N 0.428 121.609 121.223 -0.070 0.000 2.162 427 L HA 0.782 5.121 4.340 -0.000 0.000 0.205 427 L C 1.069 177.800 176.870 -0.231 0.000 1.086 427 L CA 2.024 56.764 54.840 -0.168 0.000 0.778 427 L CB 0.148 42.175 42.059 -0.053 0.000 0.928 427 L HN 0.631 nan 8.230 nan 0.000 0.446 428 A N -1.881 120.879 122.820 -0.100 0.000 2.599 428 A HA 0.879 5.199 4.320 -0.000 0.000 0.290 428 A C -1.483 176.088 177.584 -0.022 0.000 1.101 428 A CA -0.115 51.832 52.037 -0.150 0.000 0.674 428 A CB 0.700 19.688 19.000 -0.020 0.000 1.277 428 A HN 0.435 nan 8.150 nan 0.000 0.419 429 A N -0.984 121.804 122.820 -0.053 0.000 2.601 429 A HA 1.033 5.352 4.320 -0.000 0.000 0.291 429 A C -0.674 177.028 177.584 0.196 0.000 1.075 429 A CA 0.092 52.200 52.037 0.118 0.000 0.671 429 A CB 0.667 19.676 19.000 0.015 0.000 1.277 429 A HN 2.699 nan 8.150 nan 0.000 0.417 430 A N -0.275 122.758 122.820 0.355 0.000 2.572 430 A HA 0.798 5.118 4.320 -0.000 0.000 0.295 430 A C -1.474 176.316 177.584 0.344 0.000 1.072 430 A CA -0.481 51.804 52.037 0.413 0.000 0.691 430 A CB 1.572 21.035 19.000 0.772 0.000 1.291 430 A HN 1.786 nan 8.150 nan 0.000 0.404 431 V N 0.933 120.978 119.914 0.219 0.000 2.638 431 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 431 V C -1.540 174.601 176.094 0.078 0.000 1.052 431 V CA -0.294 62.125 62.300 0.198 0.000 0.885 431 V CB 1.500 33.381 31.823 0.098 0.000 0.999 431 V HN 0.711 nan 8.190 nan 0.000 0.424 432 F N 2.586 122.648 119.950 0.187 0.000 2.403 432 F HA 0.769 5.296 4.527 -0.000 0.000 0.355 432 F C 0.342 176.244 175.800 0.170 0.000 1.119 432 F CA -0.195 57.926 58.000 0.201 0.000 1.007 432 F CB 2.051 41.177 39.000 0.210 0.000 1.194 432 F HN 0.534 nan 8.300 nan 0.000 0.443 433 T N 1.967 116.653 114.554 0.220 0.000 2.830 433 T HA 0.308 4.658 4.350 -0.000 0.000 0.322 433 T C 0.066 174.840 174.700 0.123 0.000 1.501 433 T CA -0.655 61.548 62.100 0.172 0.000 1.036 433 T CB 1.551 70.501 68.868 0.137 0.000 1.379 433 T HN 0.642 nan 8.240 nan 0.000 0.493 434 K N 0.623 121.086 120.400 0.105 0.000 2.353 434 K HA 0.202 4.522 4.320 -0.000 0.000 0.195 434 K C -0.314 176.317 176.600 0.053 0.000 1.031 434 K CA -0.128 56.203 56.287 0.073 0.000 1.079 434 K CB 0.346 32.888 32.500 0.070 0.000 0.857 434 K HN 0.477 nan 8.250 nan 0.000 0.535 435 D N 0.995 121.430 120.400 0.058 0.000 2.295 435 D HA 0.022 4.662 4.640 -0.000 0.000 0.248 435 D C 0.849 177.174 176.300 0.042 0.000 1.154 435 D CA -0.255 53.772 54.000 0.045 0.000 0.857 435 D CB 1.114 41.941 40.800 0.045 0.000 1.117 435 D HN -0.153 nan 8.370 nan 0.000 0.468 436 L N 4.102 125.345 121.223 0.033 0.000 1.989 436 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 436 L C 1.286 178.181 176.870 0.042 0.000 1.071 436 L CA 1.957 56.816 54.840 0.031 0.000 0.749 436 L CB -0.406 41.668 42.059 0.024 0.000 0.890 436 L HN 0.496 nan 8.230 nan 0.000 0.431 437 D N -0.398 120.026 120.400 0.040 0.000 2.144 437 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 437 D C 2.210 178.559 176.300 0.082 0.000 0.984 437 D CA 1.311 55.343 54.000 0.053 0.000 0.834 437 D CB -0.065 40.753 40.800 0.030 0.000 0.955 437 D HN 0.393 nan 8.370 nan 0.000 0.465 438 K N 0.450 120.888 120.400 0.063 0.000 2.057 438 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 438 K C 2.120 178.800 176.600 0.132 0.000 1.050 438 K CA 1.080 57.420 56.287 0.089 0.000 0.935 438 K CB -0.064 32.477 32.500 0.068 0.000 0.715 438 K HN 0.028 nan 8.250 nan 0.000 0.439 439 A N 2.019 124.893 122.820 0.089 0.000 1.877 439 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 439 A C 1.833 179.454 177.584 0.062 0.000 1.186 439 A CA 1.707 53.784 52.037 0.067 0.000 0.620 439 A CB -0.479 18.546 19.000 0.040 0.000 0.822 439 A HN 0.223 nan 8.150 nan 0.000 0.443 440 N N -1.672 117.069 118.700 0.069 0.000 2.216 440 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 440 N C 1.567 177.119 175.510 0.070 0.000 1.017 440 N CA 1.508 54.589 53.050 0.053 0.000 0.861 440 N CB -0.559 37.957 38.487 0.048 0.000 0.986 440 N HN 0.676 nan 8.380 nan 0.000 0.428 441 Y N 1.666 121.962 120.300 -0.007 0.000 2.114 441 Y HA -0.090 4.460 4.550 -0.000 0.000 0.284 441 Y C 2.188 178.075 175.900 -0.021 0.000 1.143 441 Y CA 1.444 59.538 58.100 -0.010 0.000 1.135 441 Y CB -0.403 38.055 38.460 -0.003 0.000 0.980 441 Y HN -0.055 nan 8.280 nan 0.000 0.499 442 L N -0.292 121.000 121.223 0.115 0.000 2.027 442 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 442 L C 2.794 179.615 176.870 -0.082 0.000 1.074 442 L CA 1.564 56.405 54.840 0.001 0.000 0.745 442 L CB -0.909 41.199 42.059 0.082 0.000 0.898 442 L HN 0.379 nan 8.230 nan 0.000 0.433 443 S N -0.769 114.899 115.700 -0.054 0.000 2.400 443 S HA -0.308 4.161 4.470 -0.000 0.000 0.232 443 S C 1.904 176.436 174.600 -0.114 0.000 1.025 443 S CA 1.588 59.737 58.200 -0.085 0.000 0.993 443 S CB -0.365 62.796 63.200 -0.067 0.000 0.808 443 S HN 0.536 nan 8.310 nan 0.000 0.478 444 Q N 1.021 120.748 119.800 -0.122 0.000 2.089 444 Q HA 0.156 4.496 4.340 -0.000 0.000 0.195 444 Q C 2.284 178.184 176.000 -0.167 0.000 0.963 444 Q CA 0.971 56.696 55.803 -0.130 0.000 0.834 444 Q CB -0.523 28.140 28.738 -0.125 0.000 0.906 444 Q HN 0.676 nan 8.270 nan 0.000 0.452 445 A N 0.893 123.556 122.820 -0.261 0.000 1.969 445 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 445 A C 0.966 178.448 177.584 -0.170 0.000 1.169 445 A CA 0.340 52.214 52.037 -0.272 0.000 0.635 445 A CB -0.513 18.208 19.000 -0.465 0.000 0.810 445 A HN 0.392 nan 8.150 nan 0.000 0.445 446 L N 0.975 122.105 121.223 -0.155 0.000 2.462 446 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 446 L C 0.130 176.926 176.870 -0.123 0.000 1.166 446 L CA -0.087 54.675 54.840 -0.130 0.000 0.880 446 L CB 0.406 42.388 42.059 -0.129 0.000 1.142 446 L HN 0.403 nan 8.230 nan 0.000 0.473 447 Q N 3.921 123.677 119.800 -0.072 0.000 2.678 447 Q HA 0.508 4.848 4.340 -0.000 0.000 0.222 447 Q C -0.360 175.543 176.000 -0.162 0.000 1.281 447 Q CA -0.282 55.532 55.803 0.019 0.000 0.994 447 Q CB 0.791 29.600 28.738 0.119 0.000 1.452 447 Q HN 0.705 nan 8.270 nan 0.000 0.570 448 A N -0.007 122.466 122.820 -0.577 0.000 2.539 448 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 448 A C 0.825 177.675 177.584 -1.223 0.000 1.073 448 A CA -0.434 51.181 52.037 -0.703 0.000 0.700 448 A CB 1.232 20.002 19.000 -0.383 0.000 1.296 448 A HN 0.560 nan 8.150 nan 0.000 0.405 449 G N -0.189 108.041 108.800 -0.951 0.000 2.443 449 G HA2 0.316 4.276 3.960 -0.000 0.000 0.219 449 G HA3 0.316 4.276 3.960 -0.000 0.000 0.219 449 G C 0.457 175.015 174.900 -0.570 0.000 1.131 449 G CA 1.594 46.253 45.100 -0.735 0.000 0.775 449 G HN 0.830 nan 8.290 nan 0.000 0.547 450 T N -0.299 113.901 114.554 -0.590 0.000 2.921 450 T HA 0.511 4.861 4.350 -0.000 0.000 0.297 450 T C -1.197 173.056 174.700 -0.746 0.000 1.013 450 T CA -0.390 61.309 62.100 -0.667 0.000 0.990 450 T CB 2.750 71.139 68.868 -0.797 0.000 1.023 450 T HN -0.107 nan 8.240 nan 0.000 0.447 451 V N 3.673 123.199 119.914 -0.647 0.000 2.444 451 V HA 0.472 4.592 4.120 -0.000 0.000 0.294 451 V C -0.771 175.068 176.094 -0.424 0.000 1.022 451 V CA -0.991 61.038 62.300 -0.452 0.000 0.850 451 V CB 1.484 33.148 31.823 -0.264 0.000 0.992 451 V HN 0.766 nan 8.190 nan 0.000 0.426 452 W N 3.435 124.638 121.300 -0.163 0.000 2.438 452 W HA 0.666 5.326 4.660 -0.000 0.000 0.324 452 W C -0.603 175.822 176.519 -0.156 0.000 1.119 452 W CA -0.699 56.542 57.345 -0.173 0.000 1.221 452 W CB 1.944 31.268 29.460 -0.225 0.000 1.253 452 W HN 0.260 nan 8.180 nan 0.000 0.555 453 V N 4.548 124.496 119.914 0.057 0.000 2.376 453 V HA 0.122 4.242 4.120 -0.000 0.000 0.287 453 V C 0.107 176.086 176.094 -0.191 0.000 1.015 453 V CA -0.930 61.320 62.300 -0.083 0.000 0.834 453 V CB 1.086 32.887 31.823 -0.037 0.000 1.001 453 V HN 0.675 nan 8.190 nan 0.000 0.428 454 N N 2.097 120.452 118.700 -0.575 0.000 2.714 454 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 454 N C -0.259 175.182 175.510 -0.116 0.000 1.117 454 N CA 1.305 53.989 53.050 -0.610 0.000 0.719 454 N CB -1.126 37.322 38.487 -0.065 0.000 1.081 454 N HN 1.057 nan 8.380 nan 0.000 0.557 455 C N -4.212 114.948 119.300 -0.233 0.000 3.284 455 C HA 0.815 5.275 4.460 -0.000 0.000 0.348 455 C C -1.144 173.896 174.990 0.083 0.000 1.448 455 C CA -1.307 57.790 59.018 0.130 0.000 1.223 455 C CB 1.780 29.573 27.740 0.087 0.000 1.588 455 C HN 0.264 nan 8.230 nan 0.000 0.451 456 Y N -0.065 120.025 120.300 -0.350 0.000 2.558 456 Y HA 0.455 5.005 4.550 -0.000 0.000 0.333 456 Y C -0.421 174.817 175.900 -1.103 0.000 1.125 456 Y CA 0.414 58.064 58.100 -0.750 0.000 1.039 456 Y CB 1.317 39.703 38.460 -0.123 0.000 1.331 456 Y HN 1.023 nan 8.280 nan 0.000 0.456 457 D N 1.916 121.025 120.400 -2.151 0.000 2.751 457 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 457 D C -0.958 174.828 176.300 -0.858 0.000 1.149 457 D CA 0.966 54.284 54.000 -1.136 0.000 0.682 457 D CB -1.044 39.780 40.800 0.041 0.000 1.068 457 D HN 0.153 nan 8.370 nan 0.000 0.429 458 V N 1.436 120.685 119.914 -1.109 0.000 2.320 458 V HA 0.342 4.462 4.120 -0.000 0.000 0.265 458 V C 0.452 176.456 176.094 -0.151 0.000 1.048 458 V CA -0.295 61.795 62.300 -0.350 0.000 0.865 458 V CB 0.021 31.742 31.823 -0.170 0.000 1.043 458 V HN -0.014 nan 8.190 nan 0.000 0.474 459 F N 2.219 122.236 119.950 0.110 0.000 2.523 459 F HA 0.863 5.390 4.527 -0.000 0.000 0.329 459 F C 0.816 176.621 175.800 0.009 0.000 1.061 459 F CA -0.647 57.400 58.000 0.079 0.000 0.967 459 F CB 2.018 41.032 39.000 0.024 0.000 1.218 459 F HN 0.489 nan 8.300 nan 0.000 0.480 460 G N -0.409 108.472 108.800 0.135 0.000 2.571 460 G HA2 0.525 4.485 3.960 -0.000 0.000 0.304 460 G HA3 0.525 4.485 3.960 -0.000 0.000 0.304 460 G C -0.002 174.813 174.900 -0.141 0.000 1.314 460 G CA -0.439 44.654 45.100 -0.011 0.000 0.975 460 G HN 0.868 nan 8.290 nan 0.000 0.485 461 A N 0.750 123.408 122.820 -0.270 0.000 2.070 461 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 461 A C 2.122 179.175 177.584 -0.884 0.000 1.159 461 A CA 1.880 53.635 52.037 -0.470 0.000 0.656 461 A CB -0.123 18.618 19.000 -0.431 0.000 0.800 461 A HN 0.622 nan 8.150 nan 0.000 0.453 462 Q N -0.473 118.838 119.800 -0.815 0.000 2.398 462 Q HA 0.151 4.491 4.340 -0.000 0.000 0.204 462 Q C 0.121 176.060 176.000 -0.102 0.000 0.932 462 Q CA 0.507 55.968 55.803 -0.571 0.000 0.916 462 Q CB -0.440 28.101 28.738 -0.329 0.000 1.024 462 Q HN 0.358 nan 8.270 nan 0.000 0.504 463 S N 3.308 118.958 115.700 -0.083 0.000 2.480 463 S HA 0.473 4.942 4.470 -0.000 0.000 0.286 463 S C -2.401 172.215 174.600 0.026 0.000 1.180 463 S CA -1.153 57.055 58.200 0.012 0.000 1.075 463 S CB 1.401 64.608 63.200 0.012 0.000 0.996 463 S HN 0.100 nan 8.310 nan 0.000 0.487 464 P HA 0.288 nan 4.420 nan 0.000 0.270 464 P C -1.005 176.331 177.300 0.061 0.000 1.223 464 P CA -0.174 62.926 63.100 0.001 0.000 0.785 464 P CB 0.309 31.868 31.700 -0.235 0.000 0.923 465 F N 1.087 120.959 119.950 -0.130 0.000 2.630 465 F HA 0.655 5.182 4.527 -0.000 0.000 0.325 465 F C -0.362 175.410 175.800 -0.047 0.000 1.184 465 F CA 0.163 58.116 58.000 -0.078 0.000 1.011 465 F CB 1.448 40.432 39.000 -0.027 0.000 1.268 465 F HN 0.524 nan 8.300 nan 0.000 0.480 466 G N 2.309 110.735 108.800 -0.624 0.000 2.506 466 G HA2 0.514 4.473 3.960 -0.000 0.000 0.292 466 G HA3 0.514 4.473 3.960 -0.000 0.000 0.292 466 G C -1.416 173.259 174.900 -0.376 0.000 1.425 466 G CA -0.233 44.611 45.100 -0.426 0.000 0.788 466 G HN 0.960 nan 8.290 nan 0.000 0.490 467 G N -1.387 107.305 108.800 -0.180 0.000 2.437 467 G HA2 0.582 4.542 3.960 -0.000 0.000 0.319 467 G HA3 0.582 4.542 3.960 -0.000 0.000 0.319 467 G C -1.143 173.848 174.900 0.153 0.000 1.158 467 G CA -0.368 44.695 45.100 -0.062 0.000 0.899 467 G HN 0.378 nan 8.290 nan 0.000 0.502 476 E N 2.364 122.595 120.200 0.052 0.000 2.281 476 E HA 0.697 5.047 4.350 -0.000 0.000 0.262 476 E C -0.145 176.441 176.600 -0.023 0.000 0.933 476 E CA -1.033 55.389 56.400 0.037 0.000 0.809 476 E CB 1.705 31.425 29.700 0.033 0.000 1.242 476 E HN 0.394 nan 8.360 nan 0.000 0.418 477 L N -0.318 120.897 121.223 -0.014 0.000 0.587 477 L HA -0.282 4.058 4.340 -0.000 0.000 0.356 477 L C 0.662 177.653 176.870 0.200 0.000 0.981 477 L CA 0.808 55.675 54.840 0.045 0.000 1.223 477 L CB -1.474 40.414 42.059 -0.285 0.000 0.020 477 L HN 1.021 nan 8.230 nan 0.000 0.091 478 G N 0.136 109.055 108.800 0.198 0.000 2.752 478 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.234 478 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.234 478 G C 0.420 175.512 174.900 0.319 0.000 1.367 478 G CA 0.982 46.278 45.100 0.326 0.000 0.879 478 G HN 1.205 nan 8.290 nan 0.000 0.563 479 E N -1.008 119.301 120.200 0.181 0.000 2.153 479 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 479 E C 2.158 178.557 176.600 -0.334 0.000 0.988 479 E CA 1.839 58.036 56.400 -0.338 0.000 0.811 479 E CB -0.181 29.338 29.700 -0.302 0.000 0.746 479 E HN 0.643 nan 8.360 nan 0.000 0.466 480 Y N -0.022 120.244 120.300 -0.055 0.000 2.256 480 Y HA -0.103 4.447 4.550 -0.000 0.000 0.288 480 Y C 2.466 178.333 175.900 -0.054 0.000 1.155 480 Y CA 1.103 59.178 58.100 -0.042 0.000 1.203 480 Y CB -0.740 37.720 38.460 -0.001 0.000 0.980 480 Y HN 0.180 nan 8.280 nan 0.000 0.530 481 G N -0.063 108.825 108.800 0.146 0.000 2.470 481 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 481 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 481 G C 1.512 176.442 174.900 0.049 0.000 1.121 481 G CA 0.855 46.029 45.100 0.122 0.000 0.766 481 G HN 0.398 nan 8.290 nan 0.000 0.553 482 L N -0.481 120.639 121.223 -0.172 0.000 2.240 482 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 482 L C 3.001 179.719 176.870 -0.253 0.000 1.106 482 L CA 0.530 55.145 54.840 -0.375 0.000 0.793 482 L CB -0.420 40.991 42.059 -1.080 0.000 0.927 482 L HN 0.255 nan 8.230 nan 0.000 0.446 483 Q N 0.519 120.225 119.800 -0.156 0.000 2.096 483 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 483 Q C 2.415 178.379 176.000 -0.059 0.000 0.982 483 Q CA 1.767 57.546 55.803 -0.040 0.000 0.850 483 Q CB -0.326 28.413 28.738 0.002 0.000 0.901 483 Q HN 0.560 nan 8.270 nan 0.000 0.422 484 A N -0.230 122.533 122.820 -0.094 0.000 2.121 484 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 484 A C 0.989 178.338 177.584 -0.391 0.000 1.154 484 A CA 0.904 52.800 52.037 -0.235 0.000 0.679 484 A CB -0.316 18.503 19.000 -0.302 0.000 0.795 484 A HN 0.415 nan 8.150 nan 0.000 0.458 485 Y N 0.288 120.547 120.300 -0.069 0.000 2.524 485 Y HA 0.189 4.739 4.550 -0.000 0.000 0.266 485 Y C 0.915 176.807 175.900 -0.013 0.000 1.180 485 Y CA 0.414 58.483 58.100 -0.052 0.000 1.244 485 Y CB 0.450 38.863 38.460 -0.078 0.000 1.125 485 Y HN 0.319 nan 8.280 nan 0.000 0.524 486 T N -2.686 111.910 114.554 0.071 0.000 2.906 486 T HA 0.583 4.933 4.350 -0.000 0.000 0.295 486 T C -0.898 173.822 174.700 0.033 0.000 1.061 486 T CA -1.139 61.018 62.100 0.095 0.000 1.000 486 T CB 2.589 71.553 68.868 0.160 0.000 1.103 486 T HN -0.083 nan 8.240 nan 0.000 0.486 487 K N 1.378 121.814 120.400 0.060 0.000 2.221 487 K HA 0.653 4.973 4.320 -0.000 0.000 0.258 487 K C -1.033 175.598 176.600 0.052 0.000 0.944 487 K CA -0.919 55.392 56.287 0.039 0.000 0.823 487 K CB 2.298 34.836 32.500 0.064 0.000 1.113 487 K HN 0.456 nan 8.250 nan 0.000 0.431 488 V N 3.610 123.539 119.914 0.025 0.000 2.407 488 V HA 0.231 4.350 4.120 -0.000 0.000 0.278 488 V C -0.080 176.040 176.094 0.043 0.000 1.037 488 V CA -0.526 61.813 62.300 0.065 0.000 0.900 488 V CB 1.071 32.916 31.823 0.037 0.000 0.983 488 V HN 0.637 nan 8.190 nan 0.000 0.459 489 K N 3.138 123.568 120.400 0.050 0.000 2.244 489 K HA 0.578 4.898 4.320 -0.000 0.000 0.260 489 K C -0.663 175.897 176.600 -0.065 0.000 0.951 489 K CA -0.365 55.918 56.287 -0.006 0.000 0.826 489 K CB 1.548 34.049 32.500 0.003 0.000 1.108 489 K HN 0.701 nan 8.250 nan 0.000 0.433 490 T N 2.783 117.265 114.554 -0.121 0.000 2.797 490 T HA 0.369 4.719 4.350 -0.000 0.000 0.279 490 T C -0.981 173.529 174.700 -0.318 0.000 0.991 490 T CA -0.588 61.384 62.100 -0.214 0.000 0.979 490 T CB 1.368 70.138 68.868 -0.163 0.000 0.943 490 T HN 0.293 nan 8.240 nan 0.000 0.444 491 V N 3.505 123.070 119.914 -0.582 0.000 2.487 491 V HA 0.548 4.668 4.120 -0.000 0.000 0.298 491 V C -0.056 175.666 176.094 -0.620 0.000 1.028 491 V CA -0.710 61.208 62.300 -0.637 0.000 0.860 491 V CB 1.996 33.230 31.823 -0.981 0.000 0.991 491 V HN 0.966 nan 8.190 nan 0.000 0.427 492 T N 4.345 118.698 114.554 -0.335 0.000 2.847 492 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 492 T C -0.508 174.163 174.700 -0.049 0.000 0.998 492 T CA -0.358 61.612 62.100 -0.216 0.000 0.967 492 T CB 1.458 70.189 68.868 -0.229 0.000 0.954 492 T HN 0.346 nan 8.240 nan 0.000 0.441 493 V N 3.922 123.886 119.914 0.082 0.000 2.417 493 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 493 V C 0.404 176.705 176.094 0.346 0.000 1.024 493 V CA -1.156 61.270 62.300 0.210 0.000 0.861 493 V CB 1.686 33.665 31.823 0.259 0.000 0.985 493 V HN 0.743 nan 8.190 nan 0.000 0.436 494 K N 4.111 124.699 120.400 0.314 0.000 2.416 494 K HA 0.433 4.753 4.320 -0.000 0.000 0.283 494 K C -0.438 176.193 176.600 0.052 0.000 1.037 494 K CA -0.192 56.198 56.287 0.172 0.000 0.995 494 K CB 0.897 33.483 32.500 0.143 0.000 0.938 494 K HN 0.683 nan 8.250 nan 0.000 0.475 495 V N 1.990 121.867 119.914 -0.061 0.000 3.046 495 V HA 0.421 4.541 4.120 -0.000 0.000 0.316 495 V C -2.145 173.896 176.094 -0.088 0.000 1.104 495 V CA -1.932 60.350 62.300 -0.029 0.000 1.006 495 V CB 1.332 33.162 31.823 0.012 0.000 1.058 495 V HN 0.672 nan 8.190 nan 0.000 0.440 496 P HA -0.067 nan 4.420 nan 0.000 0.214 496 P C 0.050 177.303 177.300 -0.079 0.000 1.163 496 P CA 1.316 64.378 63.100 -0.062 0.000 0.883 496 P CB 0.142 31.817 31.700 -0.042 0.000 0.788 497 Q N -0.993 118.764 119.800 -0.071 0.000 2.444 497 Q HA 0.143 4.483 4.340 -0.000 0.000 0.239 497 Q C -1.060 174.906 176.000 -0.057 0.000 0.853 497 Q CA -0.632 55.130 55.803 -0.069 0.000 0.856 497 Q CB 1.061 29.768 28.738 -0.051 0.000 1.413 497 Q HN -0.123 nan 8.270 nan 0.000 0.437 498 K N 3.652 124.016 120.400 -0.060 0.000 2.350 498 K HA 0.250 4.570 4.320 -0.000 0.000 0.279 498 K C -0.919 175.670 176.600 -0.019 0.000 1.027 498 K CA 0.205 56.475 56.287 -0.029 0.000 0.969 498 K CB 0.621 33.116 32.500 -0.009 0.000 0.954 498 K HN 0.609 nan 8.250 nan 0.000 0.474 499 N N 1.222 119.914 118.700 -0.014 0.000 2.262 499 N HA 0.108 4.848 4.740 -0.000 0.000 0.295 499 N C -0.765 174.743 175.510 -0.003 0.000 1.161 499 N CA -0.534 52.509 53.050 -0.011 0.000 0.767 499 N CB 1.982 40.456 38.487 -0.020 0.000 1.499 499 N HN 0.746 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.700 115.700 0.000 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.203 58.200 0.005 0.000 1.107 500 S CB 0.000 63.203 63.200 0.006 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517