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 3nbj_1_F DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPFGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD cKGVIHYLDA HFSDRAGDPI TVKNAVcIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.300 177.300 -0.000 0.000 1.155 18 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 18 P CB 0.000 31.696 31.700 -0.006 0.000 0.726 19 A N 2.030 124.850 122.820 -0.001 0.000 2.488 19 A HA 0.382 4.701 4.320 -0.002 0.000 0.249 19 A C 0.560 178.149 177.584 0.008 0.000 1.083 19 A CA -0.120 51.920 52.037 0.004 0.000 0.768 19 A CB -0.026 18.977 19.000 0.005 0.000 1.017 19 A HN 0.461 nan 8.150 nan 0.000 0.496 20 R N 2.535 123.041 120.500 0.009 0.000 2.590 20 R HA 0.274 4.612 4.340 -0.002 0.000 0.274 20 R C -1.870 174.441 176.300 0.019 0.000 1.061 20 R CA -0.870 55.234 56.100 0.007 0.000 1.081 20 R CB 0.102 30.402 30.300 -0.001 0.000 0.984 20 R HN 0.654 nan 8.270 nan 0.000 0.448 21 P HA 0.048 nan 4.420 nan 0.000 0.274 21 P C -0.370 176.970 177.300 0.067 0.000 1.256 21 P CA -0.216 62.916 63.100 0.054 0.000 0.795 21 P CB 0.931 32.673 31.700 0.069 0.000 1.038 22 A N 0.195 123.080 122.820 0.109 0.000 2.066 22 A HA -0.075 4.244 4.320 -0.002 0.000 0.218 22 A C 0.961 178.656 177.584 0.186 0.000 1.157 22 A CA 1.237 53.355 52.037 0.136 0.000 0.670 22 A CB -0.974 18.114 19.000 0.147 0.000 0.804 22 A HN 0.793 nan 8.150 nan 0.000 0.453 23 H N -2.458 116.663 119.070 0.086 0.000 2.771 23 H HA 0.418 4.973 4.556 -0.002 0.000 0.361 23 H C -2.427 172.858 175.328 -0.072 0.000 1.108 23 H CA -1.738 54.351 56.048 0.069 0.000 1.201 23 H CB 2.059 31.937 29.762 0.194 0.000 1.681 23 H HN -0.120 nan 8.280 nan 0.000 0.534 24 P HA -0.137 nan 4.420 nan 0.000 0.220 24 P C 0.686 177.985 177.300 -0.002 0.000 1.144 24 P CA 1.221 64.181 63.100 -0.233 0.000 0.800 24 P CB 0.297 31.668 31.700 -0.548 0.000 0.772 25 L N -2.076 119.254 121.223 0.178 0.000 2.607 25 L HA 0.141 4.480 4.340 -0.002 0.000 0.228 25 L C 0.295 177.094 176.870 -0.118 0.000 1.123 25 L CA -0.195 54.522 54.840 -0.205 0.000 0.890 25 L CB -0.379 41.239 42.059 -0.734 0.000 1.103 25 L HN -0.114 nan 8.230 nan 0.000 0.468 26 D N 1.524 122.002 120.400 0.130 0.000 2.443 26 D HA 0.129 4.768 4.640 -0.002 0.000 0.239 26 D C -2.034 174.373 176.300 0.177 0.000 1.136 26 D CA -1.003 53.155 54.000 0.264 0.000 0.879 26 D CB 0.657 41.597 40.800 0.234 0.000 1.195 26 D HN -0.065 nan 8.370 nan 0.000 0.443 27 P HA 0.074 nan 4.420 nan 0.000 0.271 27 P C -0.054 177.340 177.300 0.157 0.000 1.233 27 P CA -0.372 62.838 63.100 0.183 0.000 0.789 27 P CB 0.569 32.395 31.700 0.210 0.000 0.951 28 L N 0.639 121.954 121.223 0.154 0.000 2.490 28 L HA 0.080 4.419 4.340 -0.002 0.000 0.274 28 L C 1.188 178.120 176.870 0.103 0.000 1.201 28 L CA 0.047 54.956 54.840 0.116 0.000 0.869 28 L CB -0.056 42.072 42.059 0.116 0.000 1.123 28 L HN 0.504 nan 8.230 nan 0.000 0.484 29 S N 0.109 115.834 115.700 0.042 0.000 2.624 29 S HA 0.108 4.577 4.470 -0.002 0.000 0.263 29 S C 1.315 175.846 174.600 -0.114 0.000 1.287 29 S CA -0.180 57.994 58.200 -0.044 0.000 0.990 29 S CB 1.270 64.442 63.200 -0.047 0.000 0.950 29 S HN 0.774 nan 8.310 nan 0.000 0.561 30 T N -1.348 113.036 114.554 -0.283 0.000 2.803 30 T HA -0.110 4.239 4.350 -0.002 0.000 0.269 30 T C 1.910 176.540 174.700 -0.116 0.000 1.052 30 T CA 1.155 63.122 62.100 -0.222 0.000 1.136 30 T CB -1.034 67.658 68.868 -0.293 0.000 0.864 30 T HN 0.871 nan 8.240 nan 0.000 0.467 31 A N 1.899 124.659 122.820 -0.100 0.000 1.898 31 A HA -0.031 4.288 4.320 -0.002 0.000 0.216 31 A C 2.325 179.883 177.584 -0.044 0.000 1.181 31 A CA 1.429 53.429 52.037 -0.062 0.000 0.620 31 A CB -0.614 18.356 19.000 -0.050 0.000 0.819 31 A HN 0.643 nan 8.150 nan 0.000 0.442 32 E N -0.261 119.921 120.200 -0.031 0.000 2.110 32 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 32 E C 1.853 178.445 176.600 -0.014 0.000 0.988 32 E CA 1.115 57.509 56.400 -0.009 0.000 0.804 32 E CB -0.283 29.425 29.700 0.013 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.044 121.602 120.570 -0.019 0.000 2.179 33 I HA -0.275 3.894 4.170 -0.002 0.000 0.242 33 I C 2.476 178.539 176.117 -0.089 0.000 1.088 33 I CA 1.024 62.305 61.300 -0.032 0.000 1.357 33 I CB -0.136 37.859 38.000 -0.009 0.000 1.051 33 I HN -0.019 nan 8.210 nan 0.000 0.409 34 K N 1.520 121.870 120.400 -0.085 0.000 2.097 34 K HA -0.120 4.199 4.320 -0.002 0.000 0.206 34 K C 2.009 178.556 176.600 -0.089 0.000 1.049 34 K CA 1.728 57.955 56.287 -0.101 0.000 0.933 34 K CB -0.427 32.029 32.500 -0.073 0.000 0.717 34 K HN 0.296 nan 8.250 nan 0.000 0.442 35 A N 0.340 123.125 122.820 -0.058 0.000 1.902 35 A HA -0.031 4.287 4.320 -0.002 0.000 0.217 35 A C 2.352 179.910 177.584 -0.042 0.000 1.181 35 A CA 1.967 53.981 52.037 -0.039 0.000 0.623 35 A CB -0.980 18.007 19.000 -0.021 0.000 0.818 35 A HN 0.405 nan 8.150 nan 0.000 0.443 36 A N -0.221 122.570 122.820 -0.049 0.000 1.898 36 A HA -0.087 4.231 4.320 -0.002 0.000 0.216 36 A C 2.453 179.978 177.584 -0.100 0.000 1.181 36 A CA 2.494 54.507 52.037 -0.041 0.000 0.620 36 A CB -1.371 17.627 19.000 -0.003 0.000 0.819 36 A HN 0.750 nan 8.150 nan 0.000 0.442 37 T N -1.988 112.432 114.554 -0.223 0.000 2.867 37 T HA -0.126 4.222 4.350 -0.002 0.000 0.268 37 T C 1.653 176.284 174.700 -0.115 0.000 1.057 37 T CA 1.333 63.185 62.100 -0.413 0.000 1.136 37 T CB -0.522 67.803 68.868 -0.905 0.000 0.874 37 T HN 0.363 nan 8.240 nan 0.000 0.466 38 N N 1.449 120.101 118.700 -0.080 0.000 2.120 38 N HA -0.063 4.676 4.740 -0.002 0.000 0.188 38 N C 2.083 177.610 175.510 0.028 0.000 1.024 38 N CA 1.824 54.869 53.050 -0.009 0.000 0.852 38 N CB -0.964 37.512 38.487 -0.017 0.000 1.003 38 N HN 0.504 nan 8.380 nan 0.000 0.424 39 T N 0.996 115.555 114.554 0.008 0.000 2.708 39 T HA -0.055 4.293 4.350 -0.002 0.000 0.266 39 T C 2.176 176.900 174.700 0.040 0.000 1.037 39 T CA 0.956 63.066 62.100 0.017 0.000 1.146 39 T CB -0.362 68.501 68.868 -0.007 0.000 0.865 39 T HN -0.021 nan 8.240 nan 0.000 0.435 40 V N 1.440 121.374 119.914 0.034 0.000 2.358 40 V HA -0.165 3.954 4.120 -0.002 0.000 0.246 40 V C 2.466 178.727 176.094 0.277 0.000 1.047 40 V CA 1.541 63.887 62.300 0.077 0.000 1.035 40 V CB -0.501 31.317 31.823 -0.008 0.000 0.658 40 V HN 0.462 nan 8.190 nan 0.000 0.452 41 K N 0.128 120.702 120.400 0.289 0.000 2.063 41 K HA -0.168 4.151 4.320 -0.002 0.000 0.208 41 K C 2.411 179.113 176.600 0.170 0.000 1.048 41 K CA 1.840 58.278 56.287 0.251 0.000 0.928 41 K CB -0.337 32.289 32.500 0.210 0.000 0.713 41 K HN 0.389 nan 8.250 nan 0.000 0.442 42 S N 0.312 116.083 115.700 0.118 0.000 2.368 42 S HA -0.165 4.304 4.470 -0.002 0.000 0.224 42 S C 1.720 176.340 174.600 0.033 0.000 1.029 42 S CA 1.009 59.249 58.200 0.066 0.000 0.988 42 S CB -0.367 62.863 63.200 0.050 0.000 0.838 42 S HN 0.324 nan 8.310 nan 0.000 0.462 43 Y N 1.042 121.272 120.300 -0.116 0.000 2.224 43 Y HA -0.063 4.486 4.550 -0.002 0.000 0.289 43 Y C 0.709 176.349 175.900 -0.433 0.000 1.146 43 Y CA 1.181 59.095 58.100 -0.311 0.000 1.182 43 Y CB -0.137 38.041 38.460 -0.471 0.000 0.983 43 Y HN 0.195 nan 8.280 nan 0.000 0.524 44 F N 0.593 120.571 119.950 0.046 0.000 2.925 44 F HA 0.458 4.984 4.527 -0.002 0.000 0.302 44 F C 0.840 176.618 175.800 -0.038 0.000 1.189 44 F CA -0.497 57.487 58.000 -0.027 0.000 1.346 44 F CB -0.797 38.213 39.000 0.016 0.000 0.954 44 F HN -0.021 nan 8.300 nan 0.000 0.506 45 A N 0.181 123.028 122.820 0.044 0.000 2.567 45 A HA 0.384 4.703 4.320 -0.002 0.000 0.240 45 A C 1.579 179.182 177.584 0.031 0.000 1.053 45 A CA 0.986 53.044 52.037 0.034 0.000 0.755 45 A CB -0.551 18.445 19.000 -0.008 0.000 0.978 45 A HN 1.149 nan 8.150 nan 0.000 0.507 46 G N 1.552 110.373 108.800 0.035 0.000 2.199 46 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.254 46 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.254 46 G C 0.225 175.143 174.900 0.029 0.000 0.982 46 G CA 0.571 45.685 45.100 0.024 0.000 0.632 46 G HN 0.765 nan 8.290 nan 0.000 0.529 47 K N 0.447 120.878 120.400 0.051 0.000 2.138 47 K HA 0.451 4.770 4.320 -0.002 0.000 0.263 47 K C -0.012 176.587 176.600 -0.001 0.000 0.965 47 K CA -0.834 55.472 56.287 0.032 0.000 0.868 47 K CB 1.859 34.398 32.500 0.066 0.000 1.083 47 K HN 0.261 nan 8.250 nan 0.000 0.443 48 K N 4.449 124.832 120.400 -0.029 0.000 2.183 48 K HA 0.197 4.516 4.320 -0.002 0.000 0.272 48 K C -0.012 176.533 176.600 -0.093 0.000 1.113 48 K CA -0.247 56.015 56.287 -0.041 0.000 0.949 48 K CB -0.308 32.173 32.500 -0.032 0.000 1.365 48 K HN 0.606 nan 8.250 nan 0.000 0.420 49 I N 0.100 120.594 120.570 -0.127 0.000 2.750 49 I HA 0.573 4.741 4.170 -0.002 0.000 0.308 49 I C -0.619 175.355 176.117 -0.238 0.000 1.016 49 I CA -0.801 60.352 61.300 -0.246 0.000 1.098 49 I CB 2.178 39.936 38.000 -0.402 0.000 1.279 49 I HN 0.420 nan 8.210 nan 0.000 0.454 50 S N 2.783 118.303 115.700 -0.300 0.000 2.548 50 S HA 0.664 5.133 4.470 -0.002 0.000 0.286 50 S C -1.031 173.374 174.600 -0.325 0.000 1.098 50 S CA -0.660 57.425 58.200 -0.192 0.000 0.930 50 S CB 1.328 64.481 63.200 -0.080 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.828 122.762 119.950 -0.026 0.000 2.404 51 F HA 0.462 4.988 4.527 -0.002 0.000 0.345 51 F C 1.753 177.545 175.800 -0.013 0.000 1.110 51 F CA -0.569 57.422 58.000 -0.015 0.000 1.130 51 F CB 1.219 40.219 39.000 -0.000 0.000 1.129 51 F HN 0.835 nan 8.300 nan 0.000 0.500 52 N N 0.976 119.745 118.700 0.114 0.000 2.499 52 N HA 0.025 4.764 4.740 -0.002 0.000 0.182 52 N C -0.359 175.215 175.510 0.106 0.000 1.034 52 N CA 0.708 53.803 53.050 0.075 0.000 0.882 52 N CB 0.635 39.142 38.487 0.032 0.000 1.125 52 N HN 0.550 nan 8.380 nan 0.000 0.436 53 T N 0.567 115.166 114.554 0.075 0.000 2.993 53 T HA 0.489 4.838 4.350 -0.002 0.000 0.312 53 T C -1.326 173.374 174.700 0.001 0.000 1.115 53 T CA -0.476 61.583 62.100 -0.067 0.000 1.027 53 T CB 2.684 71.377 68.868 -0.292 0.000 1.116 53 T HN -0.143 nan 8.240 nan 0.000 0.464 54 V N 2.614 122.529 119.914 0.002 0.000 2.509 54 V HA 0.722 4.841 4.120 -0.002 0.000 0.289 54 V C -0.203 175.941 176.094 0.084 0.000 1.026 54 V CA -0.458 61.890 62.300 0.080 0.000 0.872 54 V CB 1.581 33.446 31.823 0.070 0.000 1.017 54 V HN 1.002 nan 8.190 nan 0.000 0.436 55 T N 3.838 118.468 114.554 0.126 0.000 2.841 55 T HA 0.630 4.979 4.350 -0.002 0.000 0.296 55 T C -1.253 173.583 174.700 0.226 0.000 1.166 55 T CA -0.531 61.685 62.100 0.192 0.000 1.007 55 T CB 1.637 70.633 68.868 0.213 0.000 1.253 55 T HN 0.544 nan 8.240 nan 0.000 0.511 56 L N 3.048 124.394 121.223 0.206 0.000 2.499 56 L HA 0.572 4.911 4.340 -0.002 0.000 0.273 56 L C 0.197 177.157 176.870 0.151 0.000 1.195 56 L CA 0.082 55.019 54.840 0.160 0.000 0.882 56 L CB 0.388 42.526 42.059 0.131 0.000 1.133 56 L HN 0.583 nan 8.230 nan 0.000 0.483 57 R N 4.674 125.249 120.500 0.125 0.000 2.233 57 R HA 0.293 4.632 4.340 -0.002 0.000 0.334 57 R C -0.560 175.764 176.300 0.040 0.000 1.037 57 R CA -0.175 55.971 56.100 0.078 0.000 0.920 57 R CB -0.170 30.186 30.300 0.092 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.528 125.737 120.200 0.016 0.000 2.437 58 E HA 0.037 4.386 4.350 -0.002 0.000 0.263 58 E C -1.837 174.769 176.600 0.009 0.000 1.030 58 E CA -1.204 55.194 56.400 -0.004 0.000 0.934 58 E CB 0.186 29.866 29.700 -0.034 0.000 0.943 58 E HN 0.557 nan 8.360 nan 0.000 0.444 59 P HA -0.002 nan 4.420 nan 0.000 0.269 59 P C -0.739 176.609 177.300 0.081 0.000 1.215 59 P CA -0.201 62.928 63.100 0.049 0.000 0.780 59 P CB 0.570 32.311 31.700 0.069 0.000 0.898 60 A N 2.513 125.380 122.820 0.079 0.000 2.555 60 A HA -0.055 4.264 4.320 -0.002 0.000 0.233 60 A C 1.853 179.506 177.584 0.114 0.000 1.060 60 A CA 0.084 52.177 52.037 0.093 0.000 0.759 60 A CB -0.367 18.676 19.000 0.072 0.000 0.995 60 A HN 0.693 nan 8.150 nan 0.000 0.506 61 R N 1.011 121.559 120.500 0.080 0.000 2.080 61 R HA -0.168 4.171 4.340 -0.002 0.000 0.236 61 R C 1.889 178.156 176.300 -0.056 0.000 1.137 61 R CA 2.252 58.291 56.100 -0.101 0.000 0.943 61 R CB -0.247 29.785 30.300 -0.447 0.000 0.846 61 R HN 0.841 nan 8.270 nan 0.000 0.431 62 K N -0.445 119.937 120.400 -0.030 0.000 2.057 62 K HA -0.101 4.217 4.320 -0.002 0.000 0.207 62 K C 2.055 178.685 176.600 0.050 0.000 1.049 62 K CA 1.346 57.629 56.287 -0.007 0.000 0.931 62 K CB -0.122 32.378 32.500 -0.000 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 A N 0.496 123.363 122.820 0.078 0.000 1.902 63 A HA -0.220 4.098 4.320 -0.002 0.000 0.217 63 A C 2.048 179.724 177.584 0.152 0.000 1.181 63 A CA 1.419 53.513 52.037 0.096 0.000 0.623 63 A CB -0.800 18.249 19.000 0.082 0.000 0.818 63 A HN 0.451 nan 8.150 nan 0.000 0.443 64 Y N 0.482 120.838 120.300 0.094 0.000 2.145 64 Y HA -0.176 4.373 4.550 -0.002 0.000 0.286 64 Y C 2.017 178.069 175.900 0.255 0.000 1.145 64 Y CA 1.860 60.070 58.100 0.183 0.000 1.148 64 Y CB -0.232 38.344 38.460 0.194 0.000 0.981 64 Y HN 0.268 nan 8.280 nan 0.000 0.507 65 I N 0.027 120.700 120.570 0.172 0.000 2.286 65 I HA -0.334 3.835 4.170 -0.002 0.000 0.248 65 I C 2.307 178.410 176.117 -0.023 0.000 1.115 65 I CA 1.521 62.858 61.300 0.061 0.000 1.392 65 I CB -0.487 37.543 38.000 0.050 0.000 1.065 65 I HN 0.349 nan 8.210 nan 0.000 0.418 66 Q N -0.396 119.412 119.800 0.013 0.000 2.084 66 Q HA -0.262 4.077 4.340 -0.002 0.000 0.202 66 Q C 2.020 178.010 176.000 -0.017 0.000 0.978 66 Q CA 2.011 57.813 55.803 -0.002 0.000 0.844 66 Q CB -0.286 28.468 28.738 0.026 0.000 0.898 66 Q HN 0.632 nan 8.270 nan 0.000 0.426 67 W N 1.667 122.864 121.300 -0.172 0.000 2.381 67 W HA -0.144 4.515 4.660 -0.002 0.000 0.301 67 W C 2.009 178.379 176.519 -0.250 0.000 1.205 67 W CA 1.126 58.350 57.345 -0.202 0.000 1.285 67 W CB 0.036 29.351 29.460 -0.241 0.000 1.133 67 W HN -0.160 nan 8.180 nan 0.000 0.521 68 K N 0.562 120.670 120.400 -0.488 0.000 2.155 68 K HA -0.122 4.197 4.320 -0.002 0.000 0.203 68 K C 1.029 177.360 176.600 -0.449 0.000 1.052 68 K CA 1.894 57.752 56.287 -0.715 0.000 0.948 68 K CB -0.053 32.172 32.500 -0.459 0.000 0.728 68 K HN 0.433 nan 8.250 nan 0.000 0.448 69 E N -1.268 118.770 120.200 -0.271 0.000 2.606 69 E HA 0.059 4.408 4.350 -0.002 0.000 0.224 69 E C 0.377 176.892 176.600 -0.143 0.000 0.930 69 E CA -0.060 56.233 56.400 -0.179 0.000 1.125 69 E CB 0.751 30.392 29.700 -0.099 0.000 1.123 69 E HN 0.192 nan 8.360 nan 0.000 0.522 70 Q N 0.277 119.994 119.800 -0.139 0.000 2.135 70 Q HA 0.235 4.574 4.340 -0.002 0.000 0.231 70 Q C 0.498 176.440 176.000 -0.097 0.000 0.817 70 Q CA 0.131 55.877 55.803 -0.094 0.000 1.073 70 Q CB 1.501 30.205 28.738 -0.057 0.000 1.176 70 Q HN 0.317 nan 8.270 nan 0.000 0.478 71 G N 0.881 109.589 108.800 -0.154 0.000 2.233 71 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.270 71 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.270 71 G C 0.491 175.351 174.900 -0.066 0.000 1.011 71 G CA 0.051 45.069 45.100 -0.135 0.000 0.762 71 G HN 0.522 nan 8.290 nan 0.000 0.511 72 G N 0.166 108.943 108.800 -0.039 0.000 2.667 72 G HA2 0.546 4.505 3.960 -0.002 0.000 0.250 72 G HA3 0.546 4.505 3.960 -0.002 0.000 0.250 72 G C -1.111 173.876 174.900 0.144 0.000 1.212 72 G CA -0.188 44.940 45.100 0.047 0.000 0.874 72 G HN 0.359 nan 8.290 nan 0.000 0.561 73 P HA 0.097 nan 4.420 nan 0.000 0.272 73 P C -0.286 177.129 177.300 0.193 0.000 1.223 73 P CA -0.625 62.565 63.100 0.149 0.000 0.784 73 P CB 1.073 32.817 31.700 0.073 0.000 0.923 74 L N 4.899 126.197 121.223 0.125 0.000 2.477 74 L HA 0.223 4.562 4.340 -0.002 0.000 0.272 74 L C -2.089 174.677 176.870 -0.173 0.000 1.157 74 L CA -1.445 53.287 54.840 -0.181 0.000 0.889 74 L CB -0.927 41.052 42.059 -0.133 0.000 1.158 74 L HN 0.288 nan 8.230 nan 0.000 0.473 75 P HA 0.141 nan 4.420 nan 0.000 0.267 75 P C -2.493 174.749 177.300 -0.097 0.000 1.200 75 P CA -0.683 62.346 63.100 -0.119 0.000 0.772 75 P CB -0.217 31.421 31.700 -0.103 0.000 0.855 76 P HA 0.139 nan 4.420 nan 0.000 0.268 76 P C -0.355 176.931 177.300 -0.023 0.000 1.204 76 P CA -0.013 63.072 63.100 -0.025 0.000 0.768 76 P CB 0.382 32.081 31.700 -0.002 0.000 0.842 77 R N 3.659 124.148 120.500 -0.018 0.000 2.248 77 R HA 0.326 4.664 4.340 -0.002 0.000 0.337 77 R C -0.859 175.455 176.300 0.023 0.000 1.085 77 R CA 0.209 56.306 56.100 -0.005 0.000 0.934 77 R CB -0.937 29.360 30.300 -0.006 0.000 1.034 77 R HN 0.441 nan 8.270 nan 0.000 0.465 78 L N 2.722 123.968 121.223 0.039 0.000 2.342 78 L HA 0.777 5.116 4.340 -0.002 0.000 0.271 78 L C -0.312 176.619 176.870 0.102 0.000 1.008 78 L CA -1.323 53.558 54.840 0.068 0.000 0.818 78 L CB 2.180 44.279 42.059 0.067 0.000 1.296 78 L HN 0.650 nan 8.230 nan 0.000 0.427 79 A N 1.821 124.722 122.820 0.135 0.000 2.330 79 A HA 0.549 4.868 4.320 -0.002 0.000 0.313 79 A C -1.551 176.187 177.584 0.256 0.000 1.124 79 A CA -0.381 51.763 52.037 0.178 0.000 0.774 79 A CB 0.920 20.009 19.000 0.148 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.499 123.870 120.300 0.118 0.000 2.323 80 Y HA 0.587 5.136 4.550 -0.002 0.000 0.331 80 Y C -0.785 175.197 175.900 0.137 0.000 1.092 80 Y CA -0.851 57.293 58.100 0.073 0.000 1.150 80 Y CB 0.749 39.235 38.460 0.044 0.000 1.200 80 Y HN 0.718 nan 8.280 nan 0.000 0.472 81 Y N 3.217 123.219 120.300 -0.497 0.000 2.545 81 Y HA 0.818 5.367 4.550 -0.002 0.000 0.348 81 Y C -2.083 173.486 175.900 -0.551 0.000 1.002 81 Y CA -1.816 56.058 58.100 -0.375 0.000 1.039 81 Y CB 1.124 39.581 38.460 -0.006 0.000 1.271 81 Y HN 0.360 nan 8.280 nan 0.000 0.467 82 V N 4.983 124.802 119.914 -0.159 0.000 2.577 82 V HA 0.577 4.696 4.120 -0.002 0.000 0.303 82 V C -0.282 175.804 176.094 -0.013 0.000 1.042 82 V CA -0.724 61.489 62.300 -0.145 0.000 0.872 82 V CB 1.401 33.170 31.823 -0.090 0.000 0.998 82 V HN 0.879 nan 8.190 nan 0.000 0.423 83 I N 2.522 123.045 120.570 -0.079 0.000 3.042 83 I HA 0.723 4.892 4.170 -0.002 0.000 0.310 83 I C -1.604 174.373 176.117 -0.234 0.000 1.117 83 I CA -0.993 60.163 61.300 -0.240 0.000 1.003 83 I CB 2.404 40.124 38.000 -0.466 0.000 1.228 83 I HN 0.249 nan 8.210 nan 0.000 0.443 84 L N 2.229 123.302 121.223 -0.249 0.000 2.342 84 L HA 0.576 4.915 4.340 -0.002 0.000 0.271 84 L C -0.498 176.237 176.870 -0.226 0.000 1.008 84 L CA -0.277 54.447 54.840 -0.193 0.000 0.818 84 L CB 1.766 43.747 42.059 -0.130 0.000 1.296 84 L HN 0.816 nan 8.230 nan 0.000 0.427 85 E N 1.120 121.209 120.200 -0.185 0.000 2.224 85 E HA 0.554 4.903 4.350 -0.002 0.000 0.265 85 E C -0.679 175.857 176.600 -0.106 0.000 0.878 85 E CA -0.738 55.559 56.400 -0.170 0.000 0.759 85 E CB 2.200 31.789 29.700 -0.186 0.000 1.164 85 E HN 0.736 nan 8.360 nan 0.000 0.414 86 A N 2.665 125.434 122.820 -0.085 0.000 2.567 86 A HA 0.348 4.667 4.320 -0.002 0.000 0.240 86 A C 1.240 178.797 177.584 -0.045 0.000 1.053 86 A CA 1.116 53.119 52.037 -0.056 0.000 0.755 86 A CB -0.499 18.475 19.000 -0.043 0.000 0.978 86 A HN 1.096 nan 8.150 nan 0.000 0.507 87 G N 1.570 110.349 108.800 -0.035 0.000 2.184 87 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.264 87 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.264 87 G C 0.217 175.102 174.900 -0.025 0.000 0.975 87 G CA 0.775 45.860 45.100 -0.025 0.000 0.642 87 G HN 0.757 nan 8.290 nan 0.000 0.536 88 K N 1.114 121.491 120.400 -0.038 0.000 2.221 88 K HA 0.512 4.831 4.320 -0.002 0.000 0.258 88 K C -2.243 174.334 176.600 -0.038 0.000 0.944 88 K CA -1.817 54.447 56.287 -0.037 0.000 0.823 88 K CB 2.413 34.880 32.500 -0.055 0.000 1.113 88 K HN 0.191 nan 8.250 nan 0.000 0.431 89 P HA 0.167 nan 4.420 nan 0.000 0.278 89 P C 0.549 177.829 177.300 -0.034 0.000 1.238 89 P CA 0.238 63.327 63.100 -0.019 0.000 0.794 89 P CB 0.846 32.546 31.700 -0.001 0.000 0.955 90 G N 1.189 109.967 108.800 -0.036 0.000 2.550 90 G HA2 -0.119 3.839 3.960 -0.002 0.000 0.277 90 G HA3 -0.119 3.839 3.960 -0.002 0.000 0.277 90 G C -0.207 174.633 174.900 -0.101 0.000 1.190 90 G CA 0.546 45.609 45.100 -0.062 0.000 0.971 90 G HN 0.930 nan 8.290 nan 0.000 0.559 91 V N -3.873 115.959 119.914 -0.137 0.000 3.165 91 V HA 0.957 5.076 4.120 -0.002 0.000 0.309 91 V C -0.504 175.505 176.094 -0.142 0.000 1.267 91 V CA -0.543 61.657 62.300 -0.167 0.000 1.067 91 V CB 1.956 33.633 31.823 -0.244 0.000 1.082 91 V HN 1.057 nan 8.190 nan 0.000 0.451 92 K N 0.868 121.181 120.400 -0.145 0.000 2.427 92 K HA 0.659 4.978 4.320 -0.002 0.000 0.252 92 K C -1.186 175.357 176.600 -0.095 0.000 0.931 92 K CA -0.498 55.739 56.287 -0.084 0.000 0.793 92 K CB 2.405 34.836 32.500 -0.116 0.000 1.211 92 K HN 1.021 nan 8.250 nan 0.000 0.426 93 E N 0.802 120.930 120.200 -0.120 0.000 2.416 93 E HA 0.821 5.169 4.350 -0.002 0.000 0.273 93 E C -0.400 175.878 176.600 -0.537 0.000 0.935 93 E CA -1.251 54.921 56.400 -0.380 0.000 0.784 93 E CB 2.271 31.895 29.700 -0.127 0.000 1.301 93 E HN 0.618 nan 8.360 nan 0.000 0.454 94 G N 0.155 108.300 108.800 -1.093 0.000 2.340 94 G HA2 0.423 4.382 3.960 -0.002 0.000 0.299 94 G HA3 0.423 4.382 3.960 -0.002 0.000 0.299 94 G C -1.832 172.800 174.900 -0.448 0.000 1.291 94 G CA -1.022 43.679 45.100 -0.665 0.000 0.841 94 G HN 0.405 nan 8.290 nan 0.000 0.500 95 L N -0.040 121.186 121.223 0.006 0.000 2.386 95 L HA 0.712 5.051 4.340 -0.002 0.000 0.271 95 L C -0.615 176.385 176.870 0.218 0.000 0.993 95 L CA -1.159 53.775 54.840 0.157 0.000 0.819 95 L CB 2.332 44.459 42.059 0.113 0.000 1.294 95 L HN 0.335 nan 8.230 nan 0.000 0.414 96 V N 1.013 121.059 119.914 0.220 0.000 2.448 96 V HA 0.183 4.302 4.120 -0.002 0.000 0.295 96 V C -0.645 175.500 176.094 0.085 0.000 1.025 96 V CA -0.495 61.885 62.300 0.133 0.000 0.859 96 V CB 1.963 33.857 31.823 0.119 0.000 0.988 96 V HN 0.704 nan 8.190 nan 0.000 0.431 97 D N 3.939 124.370 120.400 0.051 0.000 2.393 97 D HA 0.264 4.902 4.640 -0.002 0.000 0.232 97 D C 1.109 177.427 176.300 0.029 0.000 1.192 97 D CA -0.133 53.890 54.000 0.038 0.000 0.882 97 D CB 0.829 41.645 40.800 0.026 0.000 1.038 97 D HN 0.453 nan 8.370 nan 0.000 0.499 98 L N 3.276 124.518 121.223 0.031 0.000 2.127 98 L HA -0.180 4.159 4.340 -0.002 0.000 0.211 98 L C 2.384 179.262 176.870 0.013 0.000 1.089 98 L CA 1.231 56.084 54.840 0.022 0.000 0.757 98 L CB -0.452 41.620 42.059 0.023 0.000 0.899 98 L HN 0.534 nan 8.230 nan 0.000 0.434 99 A N 0.075 122.902 122.820 0.012 0.000 1.902 99 A HA -0.196 4.122 4.320 -0.002 0.000 0.217 99 A C 2.366 179.955 177.584 0.009 0.000 1.181 99 A CA 2.067 54.109 52.037 0.008 0.000 0.623 99 A CB -0.534 18.470 19.000 0.006 0.000 0.818 99 A HN 0.512 nan 8.150 nan 0.000 0.443 100 S N -1.228 114.479 115.700 0.011 0.000 2.577 100 S HA 0.406 4.874 4.470 -0.002 0.000 0.219 100 S C 0.491 175.099 174.600 0.012 0.000 0.962 100 S CA 0.122 58.329 58.200 0.012 0.000 0.921 100 S CB -0.559 62.649 63.200 0.013 0.000 0.789 100 S HN 0.587 nan 8.310 nan 0.000 0.497 101 L N 2.067 123.297 121.223 0.012 0.000 3.879 101 L HA -0.192 4.147 4.340 -0.002 0.000 0.481 101 L C 0.002 176.879 176.870 0.011 0.000 1.232 101 L CA 0.517 55.364 54.840 0.010 0.000 0.736 101 L CB -2.344 39.720 42.059 0.008 0.000 1.511 101 L HN 0.720 nan 8.230 nan 0.000 0.830 102 S N -2.342 113.364 115.700 0.009 0.000 2.556 102 S HA 0.717 5.185 4.470 -0.002 0.000 0.271 102 S C -0.408 174.177 174.600 -0.025 0.000 1.135 102 S CA -1.070 57.130 58.200 0.000 0.000 0.858 102 S CB 2.443 65.651 63.200 0.012 0.000 1.114 102 S HN -0.025 nan 8.310 nan 0.000 0.468 103 V N 3.171 123.024 119.914 -0.101 0.000 2.470 103 V HA 0.218 4.337 4.120 -0.002 0.000 0.276 103 V C 1.189 177.208 176.094 -0.124 0.000 1.040 103 V CA -0.095 62.094 62.300 -0.184 0.000 1.008 103 V CB 0.104 31.539 31.823 -0.647 0.000 0.990 103 V HN 0.906 nan 8.190 nan 0.000 0.477 104 I N 1.156 121.703 120.570 -0.038 0.000 4.070 104 I HA 0.522 4.691 4.170 -0.002 0.000 0.328 104 I C 0.583 176.698 176.117 -0.003 0.000 1.298 104 I CA 0.295 61.588 61.300 -0.012 0.000 1.173 104 I CB 0.488 38.496 38.000 0.014 0.000 1.051 104 I HN 0.621 nan 8.210 nan 0.000 0.409 105 E N 0.803 121.000 120.200 -0.004 0.000 2.335 105 E HA 0.474 4.822 4.350 -0.002 0.000 0.280 105 E C -1.348 175.257 176.600 0.009 0.000 0.918 105 E CA -0.479 55.928 56.400 0.012 0.000 0.765 105 E CB 2.428 32.144 29.700 0.028 0.000 1.218 105 E HN 0.102 nan 8.360 nan 0.000 0.425 106 T N 2.904 117.476 114.554 0.031 0.000 2.942 106 T HA 0.642 4.991 4.350 -0.002 0.000 0.327 106 T C -2.001 172.760 174.700 0.100 0.000 1.360 106 T CA -0.679 61.468 62.100 0.079 0.000 1.055 106 T CB 0.948 69.894 68.868 0.129 0.000 1.261 106 T HN 0.659 nan 8.240 nan 0.000 0.485 107 R N 1.824 122.386 120.500 0.102 0.000 2.634 107 R HA 0.799 5.138 4.340 -0.002 0.000 0.263 107 R C -1.669 174.676 176.300 0.075 0.000 1.060 107 R CA -1.144 55.010 56.100 0.091 0.000 0.898 107 R CB 1.002 31.340 30.300 0.063 0.000 1.253 107 R HN 0.713 nan 8.270 nan 0.000 0.461 108 A N 2.586 125.447 122.820 0.067 0.000 2.290 108 A HA 0.645 4.964 4.320 -0.002 0.000 0.310 108 A C -1.021 176.568 177.584 0.010 0.000 1.202 108 A CA -0.703 51.353 52.037 0.033 0.000 0.837 108 A CB 0.802 19.828 19.000 0.043 0.000 1.139 108 A HN 0.428 nan 8.150 nan 0.000 0.509 109 L N 2.855 124.063 121.223 -0.026 0.000 2.356 109 L HA 0.336 4.675 4.340 -0.002 0.000 0.264 109 L C 0.942 177.785 176.870 -0.045 0.000 1.029 109 L CA 0.348 55.169 54.840 -0.033 0.000 0.897 109 L CB 0.730 42.751 42.059 -0.064 0.000 1.256 109 L HN 0.906 nan 8.230 nan 0.000 0.444 110 E N 0.210 120.401 120.200 -0.016 0.000 2.358 110 E HA -0.064 4.285 4.350 -0.002 0.000 0.195 110 E C 0.612 177.213 176.600 0.003 0.000 1.010 110 E CA 1.090 57.484 56.400 -0.010 0.000 0.856 110 E CB 0.308 30.010 29.700 0.004 0.000 0.795 110 E HN 0.645 nan 8.360 nan 0.000 0.504 111 T N -1.538 113.024 114.554 0.013 0.000 3.269 111 T HA 0.398 4.747 4.350 -0.002 0.000 0.269 111 T C -0.144 174.587 174.700 0.053 0.000 0.993 111 T CA -0.457 61.668 62.100 0.042 0.000 0.909 111 T CB 0.337 69.239 68.868 0.057 0.000 1.115 111 T HN -0.124 nan 8.240 nan 0.000 0.543 112 V N 0.380 120.304 119.914 0.015 0.000 3.102 112 V HA 0.666 4.785 4.120 -0.002 0.000 0.312 112 V C -1.778 174.313 176.094 -0.004 0.000 1.135 112 V CA -0.802 61.512 62.300 0.023 0.000 1.022 112 V CB 2.466 34.279 31.823 -0.018 0.000 1.056 112 V HN 0.364 nan 8.190 nan 0.000 0.436 113 Q N 3.791 123.614 119.800 0.039 0.000 2.347 113 Q HA 0.549 4.887 4.340 -0.002 0.000 0.271 113 Q C -2.724 173.311 176.000 0.057 0.000 1.064 113 Q CA -1.862 53.958 55.803 0.028 0.000 0.800 113 Q CB 2.540 31.317 28.738 0.065 0.000 1.304 113 Q HN 0.544 nan 8.270 nan 0.000 0.438 114 P HA 0.294 nan 4.420 nan 0.000 0.281 114 P C 0.082 177.454 177.300 0.120 0.000 1.281 114 P CA -0.716 62.466 63.100 0.137 0.000 0.811 114 P CB 1.308 33.057 31.700 0.082 0.000 1.154 115 I N 0.232 120.897 120.570 0.158 0.000 2.880 115 I HA -0.086 4.083 4.170 -0.002 0.000 0.296 115 I C -0.042 176.150 176.117 0.125 0.000 1.220 115 I CA 0.059 61.430 61.300 0.120 0.000 1.435 115 I CB 0.070 38.195 38.000 0.209 0.000 1.339 115 I HN 0.134 nan 8.210 nan 0.000 0.583 116 L N 7.609 128.897 121.223 0.108 0.000 2.260 116 L HA 0.248 4.587 4.340 -0.002 0.000 0.289 116 L C 0.609 177.555 176.870 0.128 0.000 1.057 116 L CA -0.470 54.449 54.840 0.133 0.000 0.811 116 L CB 0.939 43.117 42.059 0.199 0.000 1.184 116 L HN 0.677 nan 8.230 nan 0.000 0.429 117 T N -0.812 113.738 114.554 -0.007 0.000 2.816 117 T HA 0.181 4.530 4.350 -0.002 0.000 0.282 117 T C 1.516 176.139 174.700 -0.128 0.000 0.993 117 T CA -0.353 61.616 62.100 -0.218 0.000 0.994 117 T CB 1.445 70.104 68.868 -0.348 0.000 1.025 117 T HN 0.366 nan 8.240 nan 0.000 0.529 118 V N -0.675 119.127 119.914 -0.187 0.000 2.392 118 V HA -0.132 3.987 4.120 -0.002 0.000 0.249 118 V C 2.277 178.344 176.094 -0.044 0.000 1.059 118 V CA 1.822 64.076 62.300 -0.077 0.000 1.051 118 V CB -1.303 30.488 31.823 -0.053 0.000 0.658 118 V HN 0.933 nan 8.190 nan 0.000 0.455 119 E N 0.304 120.467 120.200 -0.063 0.000 2.106 119 E HA -0.177 4.172 4.350 -0.002 0.000 0.192 119 E C 2.009 178.602 176.600 -0.012 0.000 0.984 119 E CA 1.378 57.761 56.400 -0.027 0.000 0.806 119 E CB -0.222 29.462 29.700 -0.027 0.000 0.750 119 E HN 0.657 nan 8.360 nan 0.000 0.458 120 D N 0.608 120.998 120.400 -0.017 0.000 2.144 120 D HA -0.118 4.521 4.640 -0.002 0.000 0.199 120 D C 2.003 178.319 176.300 0.027 0.000 0.984 120 D CA 0.900 54.905 54.000 0.007 0.000 0.834 120 D CB -0.013 40.797 40.800 0.016 0.000 0.955 120 D HN 0.181 nan 8.370 nan 0.000 0.465 121 L N -0.101 121.140 121.223 0.030 0.000 2.162 121 L HA -0.030 4.309 4.340 -0.002 0.000 0.205 121 L C 2.464 179.359 176.870 0.041 0.000 1.086 121 L CA 0.342 55.210 54.840 0.047 0.000 0.778 121 L CB -0.177 41.904 42.059 0.036 0.000 0.928 121 L HN 0.046 nan 8.230 nan 0.000 0.446 122 C N -0.033 119.284 119.300 0.028 0.000 2.419 122 C HA -0.115 4.344 4.460 -0.002 0.000 0.283 122 C C 3.013 178.022 174.990 0.031 0.000 1.373 122 C CA 1.288 60.325 59.018 0.032 0.000 1.781 122 C CB -0.989 26.766 27.740 0.025 0.000 1.886 122 C HN 0.667 nan 8.230 nan 0.000 0.520 123 S N -0.914 114.801 115.700 0.026 0.000 2.524 123 S HA -0.066 4.403 4.470 -0.002 0.000 0.216 123 S C 1.399 176.013 174.600 0.025 0.000 0.987 123 S CA 1.105 59.317 58.200 0.021 0.000 0.909 123 S CB -0.638 62.571 63.200 0.014 0.000 0.781 123 S HN 0.561 nan 8.310 nan 0.000 0.521 124 T N 2.561 117.137 114.554 0.037 0.000 2.720 124 T HA -0.110 4.239 4.350 -0.002 0.000 0.268 124 T C 1.628 176.355 174.700 0.044 0.000 1.037 124 T CA 1.738 63.865 62.100 0.044 0.000 1.144 124 T CB -0.364 68.544 68.868 0.067 0.000 0.864 124 T HN 0.661 nan 8.240 nan 0.000 0.444 125 E N 0.487 120.714 120.200 0.046 0.000 2.085 125 E HA -0.204 4.144 4.350 -0.002 0.000 0.194 125 E C 2.208 178.810 176.600 0.003 0.000 0.994 125 E CA 1.153 57.572 56.400 0.032 0.000 0.801 125 E CB 0.000 29.716 29.700 0.027 0.000 0.743 125 E HN 0.281 nan 8.360 nan 0.000 0.453 126 E N -0.211 119.989 120.200 -0.000 0.000 2.152 126 E HA -0.133 4.216 4.350 -0.002 0.000 0.192 126 E C 2.063 178.665 176.600 0.003 0.000 0.983 126 E CA 1.113 57.509 56.400 -0.007 0.000 0.818 126 E CB 0.015 29.712 29.700 -0.006 0.000 0.758 126 E HN 0.328 nan 8.360 nan 0.000 0.467 127 V N 0.001 119.922 119.914 0.011 0.000 2.427 127 V HA -0.188 3.930 4.120 -0.002 0.000 0.248 127 V C 2.216 178.322 176.094 0.020 0.000 1.051 127 V CA 1.706 64.014 62.300 0.013 0.000 1.048 127 V CB -0.943 30.887 31.823 0.012 0.000 0.666 127 V HN 0.426 nan 8.190 nan 0.000 0.456 128 I N -1.284 119.305 120.570 0.032 0.000 2.439 128 I HA -0.039 4.130 4.170 -0.002 0.000 0.251 128 I C 2.721 178.866 176.117 0.047 0.000 1.139 128 I CA 1.283 62.613 61.300 0.051 0.000 1.438 128 I CB -0.602 37.445 38.000 0.078 0.000 1.085 128 I HN 0.088 nan 8.210 nan 0.000 0.427 129 R N 1.113 121.629 120.500 0.027 0.000 2.120 129 R HA -0.128 4.211 4.340 -0.002 0.000 0.234 129 R C 1.607 177.918 176.300 0.019 0.000 1.123 129 R CA 1.741 57.853 56.100 0.020 0.000 0.975 129 R CB -0.440 29.855 30.300 -0.009 0.000 0.866 129 R HN 0.448 nan 8.270 nan 0.000 0.446 130 N N 0.685 119.393 118.700 0.013 0.000 2.280 130 N HA -0.061 4.678 4.740 -0.002 0.000 0.192 130 N C -0.930 174.583 175.510 0.005 0.000 1.109 130 N CA -0.007 53.048 53.050 0.008 0.000 0.855 130 N CB 0.314 38.804 38.487 0.004 0.000 0.974 130 N HN 0.028 nan 8.380 nan 0.000 0.482 131 D N -0.473 119.932 120.400 0.008 0.000 2.295 131 D HA 0.198 4.837 4.640 -0.002 0.000 0.248 131 D C -1.652 174.641 176.300 -0.012 0.000 1.154 131 D CA -2.185 51.815 54.000 -0.000 0.000 0.857 131 D CB 1.489 42.292 40.800 0.006 0.000 1.117 131 D HN 0.013 nan 8.370 nan 0.000 0.468 132 P HA -0.198 nan 4.420 nan 0.000 0.215 132 P C 0.910 178.176 177.300 -0.056 0.000 1.157 132 P CA 1.560 64.641 63.100 -0.032 0.000 0.874 132 P CB 0.126 31.809 31.700 -0.029 0.000 0.790 133 A N -0.818 121.963 122.820 -0.065 0.000 1.902 133 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 133 A C 2.350 179.846 177.584 -0.147 0.000 1.181 133 A CA 1.900 53.874 52.037 -0.105 0.000 0.623 133 A CB -1.707 17.230 19.000 -0.105 0.000 0.818 133 A HN 0.042 nan 8.150 nan 0.000 0.443 134 V N 0.221 120.078 119.914 -0.096 0.000 2.307 134 V HA -0.249 3.870 4.120 -0.002 0.000 0.245 134 V C 2.419 178.448 176.094 -0.107 0.000 1.045 134 V CA 1.921 64.167 62.300 -0.091 0.000 1.024 134 V CB -0.673 31.186 31.823 0.059 0.000 0.651 134 V HN 0.578 nan 8.190 nan 0.000 0.449 135 I N 0.189 120.728 120.570 -0.051 0.000 2.208 135 I HA -0.315 3.853 4.170 -0.002 0.000 0.245 135 I C 2.599 178.669 176.117 -0.079 0.000 1.097 135 I CA 2.173 63.453 61.300 -0.034 0.000 1.363 135 I CB -0.407 37.582 38.000 -0.017 0.000 1.051 135 I HN 0.448 nan 8.210 nan 0.000 0.413 136 E N 0.605 120.738 120.200 -0.112 0.000 2.110 136 E HA -0.264 4.085 4.350 -0.002 0.000 0.193 136 E C 2.197 178.682 176.600 -0.193 0.000 0.988 136 E CA 1.114 57.438 56.400 -0.128 0.000 0.804 136 E CB 0.116 29.742 29.700 -0.125 0.000 0.745 136 E HN 0.417 nan 8.360 nan 0.000 0.458 137 Q N -0.052 119.545 119.800 -0.338 0.000 2.167 137 Q HA -0.119 4.219 4.340 -0.002 0.000 0.202 137 Q C 2.370 178.145 176.000 -0.375 0.000 0.970 137 Q CA 1.111 56.574 55.803 -0.567 0.000 0.855 137 Q CB -0.530 27.423 28.738 -1.308 0.000 0.911 137 Q HN 0.446 nan 8.270 nan 0.000 0.438 138 C N -0.314 118.878 119.300 -0.181 0.000 2.446 138 C HA -0.047 4.412 4.460 -0.002 0.000 0.277 138 C C 2.853 177.836 174.990 -0.011 0.000 1.275 138 C CA 0.320 59.362 59.018 0.039 0.000 1.727 138 C CB -0.915 26.884 27.740 0.098 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.677 120.564 119.914 -0.044 0.000 2.295 139 V HA -0.200 3.918 4.120 -0.002 0.000 0.246 139 V C 2.398 178.464 176.094 -0.047 0.000 1.049 139 V CA 1.676 63.952 62.300 -0.039 0.000 1.024 139 V CB -0.690 31.108 31.823 -0.042 0.000 0.648 139 V HN 0.405 nan 8.190 nan 0.000 0.447 140 L N 0.155 121.335 121.223 -0.071 0.000 2.127 140 L HA -0.103 4.236 4.340 -0.002 0.000 0.211 140 L C 2.289 179.137 176.870 -0.037 0.000 1.089 140 L CA 1.811 56.612 54.840 -0.064 0.000 0.757 140 L CB -0.792 41.208 42.059 -0.098 0.000 0.899 140 L HN 0.287 nan 8.230 nan 0.000 0.434 141 S N -0.814 114.875 115.700 -0.019 0.000 2.593 141 S HA 0.299 4.768 4.470 -0.002 0.000 0.217 141 S C 1.357 175.941 174.600 -0.027 0.000 0.966 141 S CA 0.591 58.799 58.200 0.014 0.000 0.914 141 S CB -0.003 63.266 63.200 0.114 0.000 0.776 141 S HN 0.636 nan 8.310 nan 0.000 0.523 142 G N 1.401 110.177 108.800 -0.040 0.000 2.144 142 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.218 142 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.218 142 G C -0.084 174.764 174.900 -0.086 0.000 0.988 142 G CA -0.418 44.645 45.100 -0.060 0.000 0.659 142 G HN 0.494 nan 8.290 nan 0.000 0.522 143 I N 1.456 121.984 120.570 -0.071 0.000 2.382 143 I HA 0.318 4.487 4.170 -0.002 0.000 0.286 143 I C -2.217 173.895 176.117 -0.008 0.000 1.002 143 I CA -2.513 58.748 61.300 -0.065 0.000 1.135 143 I CB 2.064 40.027 38.000 -0.062 0.000 1.288 143 I HN -0.179 nan 8.210 nan 0.000 0.448 144 P HA -0.019 nan 4.420 nan 0.000 0.266 144 P C 0.556 177.875 177.300 0.033 0.000 1.195 144 P CA 0.104 63.217 63.100 0.021 0.000 0.768 144 P CB 0.895 32.615 31.700 0.033 0.000 0.838 145 A N 3.892 126.726 122.820 0.023 0.000 2.024 145 A HA -0.220 4.098 4.320 -0.002 0.000 0.220 145 A C 1.541 179.153 177.584 0.047 0.000 1.164 145 A CA 1.937 53.989 52.037 0.026 0.000 0.643 145 A CB -1.347 17.660 19.000 0.011 0.000 0.806 145 A HN 0.807 nan 8.150 nan 0.000 0.451 146 N N -1.359 117.375 118.700 0.057 0.000 2.383 146 N HA 0.030 4.769 4.740 -0.002 0.000 0.192 146 N C 0.445 176.043 175.510 0.148 0.000 1.141 146 N CA 0.348 53.447 53.050 0.082 0.000 0.851 146 N CB 0.068 38.593 38.487 0.064 0.000 0.976 146 N HN 0.542 nan 8.380 nan 0.000 0.465 147 E N -0.016 120.257 120.200 0.123 0.000 2.651 147 E HA 0.176 4.525 4.350 -0.002 0.000 0.208 147 E C 0.754 177.351 176.600 -0.005 0.000 0.997 147 E CA -0.326 56.131 56.400 0.094 0.000 1.020 147 E CB 0.341 30.087 29.700 0.078 0.000 1.052 147 E HN 0.338 nan 8.360 nan 0.000 0.465 148 M N 0.874 120.519 119.600 0.075 0.000 2.358 148 M HA -0.132 4.347 4.480 -0.002 0.000 0.264 148 M C 1.959 178.250 176.300 -0.014 0.000 1.064 148 M CA 1.373 56.700 55.300 0.045 0.000 1.093 148 M CB -0.984 31.651 32.600 0.057 0.000 1.401 148 M HN 0.371 nan 8.290 nan 0.000 0.440 149 H N -0.988 118.070 119.070 -0.019 0.000 2.561 149 H HA 0.018 4.573 4.556 -0.002 0.000 0.278 149 H C 1.047 176.310 175.328 -0.108 0.000 1.014 149 H CA 0.751 56.746 56.048 -0.088 0.000 1.211 149 H CB -0.426 29.302 29.762 -0.055 0.000 1.365 149 H HN 0.358 nan 8.280 nan 0.000 0.594 150 K N 0.893 121.000 120.400 -0.488 0.000 2.393 150 K HA 0.192 4.511 4.320 -0.002 0.000 0.193 150 K C 0.070 176.696 176.600 0.044 0.000 1.026 150 K CA -0.064 56.064 56.287 -0.265 0.000 1.064 150 K CB 1.074 33.376 32.500 -0.332 0.000 0.833 150 K HN 0.010 nan 8.250 nan 0.000 0.521 151 V N 2.173 122.100 119.914 0.022 0.000 2.432 151 V HA 0.177 4.296 4.120 -0.002 0.000 0.275 151 V C -0.618 175.472 176.094 -0.007 0.000 1.043 151 V CA -0.406 61.985 62.300 0.153 0.000 0.925 151 V CB 0.215 32.116 31.823 0.131 0.000 0.985 151 V HN 0.035 nan 8.190 nan 0.000 0.466 152 Y N 2.929 123.274 120.300 0.075 0.000 2.633 152 Y HA 0.788 5.336 4.550 -0.002 0.000 0.339 152 Y C 0.233 176.206 175.900 0.121 0.000 1.045 152 Y CA -0.999 57.145 58.100 0.072 0.000 1.098 152 Y CB 2.068 40.546 38.460 0.031 0.000 1.296 152 Y HN 0.852 nan 8.280 nan 0.000 0.494 153 C N -0.919 118.560 119.300 0.298 0.000 3.090 153 C HA 0.582 5.041 4.460 -0.002 0.000 0.347 153 C C -1.764 173.401 174.990 0.293 0.000 1.147 153 C CA -0.997 58.184 59.018 0.272 0.000 1.305 153 C CB 1.300 29.129 27.740 0.148 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.769 125.398 120.400 0.382 0.000 2.313 154 D HA 0.446 5.085 4.640 -0.002 0.000 0.239 154 D C -2.210 174.355 176.300 0.442 0.000 1.142 154 D CA -1.022 53.225 54.000 0.411 0.000 0.847 154 D CB 1.830 42.984 40.800 0.590 0.000 1.082 154 D HN 0.573 nan 8.370 nan 0.000 0.480 155 P HA 0.160 nan 4.420 nan 0.000 0.282 155 P C -0.783 176.733 177.300 0.361 0.000 1.274 155 P CA -0.421 62.845 63.100 0.277 0.000 0.770 155 P CB 0.427 32.221 31.700 0.157 0.000 0.867 156 W N 1.883 123.251 121.300 0.113 0.000 2.719 156 W HA 0.339 4.998 4.660 -0.002 0.000 0.352 156 W C 0.609 177.243 176.519 0.192 0.000 1.085 156 W CA -0.203 57.257 57.345 0.192 0.000 1.187 156 W CB 1.003 30.541 29.460 0.131 0.000 1.417 156 W HN 0.244 nan 8.180 nan 0.000 0.557 157 T N -0.148 114.682 114.554 0.460 0.000 2.900 157 T HA 0.087 4.436 4.350 -0.002 0.000 0.307 157 T C 0.827 175.656 174.700 0.214 0.000 1.065 157 T CA -0.443 61.784 62.100 0.212 0.000 1.105 157 T CB 0.808 69.678 68.868 0.002 0.000 0.979 157 T HN 0.538 nan 8.240 nan 0.000 0.544 158 I N 1.355 121.998 120.570 0.122 0.000 3.176 158 I HA 0.134 4.303 4.170 -0.002 0.000 0.275 158 I C 1.717 177.869 176.117 0.059 0.000 1.298 158 I CA 1.225 62.575 61.300 0.082 0.000 1.445 158 I CB -1.042 36.984 38.000 0.043 0.000 1.075 158 I HN 1.173 nan 8.210 nan 0.000 0.482 159 G N 1.013 109.843 108.800 0.049 0.000 4.766 159 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.314 159 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.314 159 G C -0.050 174.955 174.900 0.174 0.000 1.427 159 G CA 0.566 45.647 45.100 -0.032 0.000 1.024 159 G HN 0.438 nan 8.290 nan 0.000 0.754 160 Y N 1.877 122.219 120.300 0.071 0.000 2.390 160 Y HA 0.571 5.119 4.550 -0.002 0.000 0.324 160 Y C -2.152 173.808 175.900 0.100 0.000 1.151 160 Y CA -0.627 57.534 58.100 0.101 0.000 1.053 160 Y CB 1.974 40.490 38.460 0.093 0.000 1.277 160 Y HN 0.473 nan 8.280 nan 0.000 0.432 161 D N 5.770 125.758 120.400 -0.686 0.000 2.542 161 D HA 0.124 4.763 4.640 -0.002 0.000 0.252 161 D C 0.639 176.501 176.300 -0.729 0.000 1.222 161 D CA -0.227 53.502 54.000 -0.453 0.000 0.895 161 D CB 1.412 42.224 40.800 0.022 0.000 1.207 161 D HN 0.848 nan 8.370 nan 0.000 0.558 162 E N 3.635 123.443 120.200 -0.654 0.000 2.396 162 E HA -0.197 4.152 4.350 -0.002 0.000 0.200 162 E C 0.799 177.188 176.600 -0.353 0.000 1.023 162 E CA 0.654 56.824 56.400 -0.383 0.000 0.857 162 E CB -0.032 29.612 29.700 -0.094 0.000 0.775 162 E HN 0.473 nan 8.360 nan 0.000 0.525 163 R N -0.875 119.313 120.500 -0.519 0.000 2.236 163 R HA 0.038 4.376 4.340 -0.002 0.000 0.208 163 R C 1.179 176.873 176.300 -1.009 0.000 1.036 163 R CA 1.117 56.681 56.100 -0.893 0.000 1.001 163 R CB 0.082 29.482 30.300 -1.499 0.000 0.896 163 R HN 0.339 nan 8.270 nan 0.000 0.464 164 W N -0.896 120.303 121.300 -0.169 0.000 2.520 164 W HA 0.301 4.960 4.660 -0.002 0.000 0.272 164 W C 0.995 177.472 176.519 -0.069 0.000 0.984 164 W CA 0.431 57.712 57.345 -0.106 0.000 1.314 164 W CB -0.083 29.320 29.460 -0.095 0.000 0.945 164 W HN 0.202 nan 8.180 nan 0.000 0.596 165 G N 2.180 111.015 108.800 0.057 0.000 2.634 165 G HA2 -0.433 3.526 3.960 -0.002 0.000 0.309 165 G HA3 -0.433 3.526 3.960 -0.002 0.000 0.309 165 G C 0.814 175.839 174.900 0.209 0.000 1.265 165 G CA 2.333 47.533 45.100 0.168 0.000 0.998 165 G HN 0.154 nan 8.290 nan 0.000 0.551 166 T N -1.647 113.030 114.554 0.205 0.000 3.092 166 T HA 0.481 4.830 4.350 -0.002 0.000 0.258 166 T C 2.169 176.940 174.700 0.118 0.000 1.031 166 T CA 1.045 63.244 62.100 0.164 0.000 0.925 166 T CB 0.627 69.592 68.868 0.162 0.000 1.036 166 T HN 1.609 nan 8.240 nan 0.000 0.544 167 G N 1.742 110.621 108.800 0.131 0.000 2.462 167 G HA2 -0.030 3.928 3.960 -0.002 0.000 0.220 167 G HA3 -0.030 3.928 3.960 -0.002 0.000 0.220 167 G C 0.466 175.416 174.900 0.083 0.000 1.121 167 G CA 0.295 45.460 45.100 0.109 0.000 0.758 167 G HN 0.506 nan 8.290 nan 0.000 0.559 168 K N -0.655 119.791 120.400 0.076 0.000 2.464 168 K HA 0.351 4.669 4.320 -0.002 0.000 0.253 168 K C -0.888 175.706 176.600 -0.009 0.000 0.933 168 K CA -0.904 55.387 56.287 0.007 0.000 0.801 168 K CB 2.443 34.906 32.500 -0.062 0.000 1.271 168 K HN -0.021 nan 8.250 nan 0.000 0.430 169 R N 3.023 123.509 120.500 -0.022 0.000 2.296 169 R HA 0.209 4.548 4.340 -0.002 0.000 0.323 169 R C -0.977 175.296 176.300 -0.045 0.000 1.067 169 R CA -0.285 55.807 56.100 -0.014 0.000 0.946 169 R CB 0.232 30.525 30.300 -0.011 0.000 0.991 169 R HN 0.277 nan 8.270 nan 0.000 0.448 170 L N 2.943 124.143 121.223 -0.039 0.000 2.323 170 L HA 0.491 4.830 4.340 -0.002 0.000 0.265 170 L C -0.378 176.486 176.870 -0.009 0.000 1.012 170 L CA -0.618 54.178 54.840 -0.075 0.000 0.820 170 L CB 2.086 44.051 42.059 -0.155 0.000 1.334 170 L HN 0.663 nan 8.230 nan 0.000 0.427 171 Q N 0.622 120.417 119.800 -0.008 0.000 2.421 171 Q HA 0.592 4.931 4.340 -0.002 0.000 0.280 171 Q C -1.472 174.556 176.000 0.047 0.000 1.085 171 Q CA -0.835 55.007 55.803 0.064 0.000 0.807 171 Q CB 3.314 32.104 28.738 0.087 0.000 1.405 171 Q HN 0.621 nan 8.270 nan 0.000 0.419 172 Q N -0.070 119.791 119.800 0.101 0.000 2.345 172 Q HA 0.858 5.197 4.340 -0.002 0.000 0.268 172 Q C -1.538 174.509 176.000 0.078 0.000 1.054 172 Q CA -1.075 54.759 55.803 0.051 0.000 0.835 172 Q CB 2.083 30.823 28.738 0.004 0.000 1.339 172 Q HN 0.521 nan 8.270 nan 0.000 0.447 173 A N 3.624 126.462 122.820 0.029 0.000 2.291 173 A HA 0.497 4.815 4.320 -0.002 0.000 0.311 173 A C -0.634 176.911 177.584 -0.065 0.000 1.224 173 A CA -0.845 51.217 52.037 0.040 0.000 0.821 173 A CB 0.674 19.711 19.000 0.061 0.000 1.172 173 A HN 0.780 nan 8.150 nan 0.000 0.494 174 L N 3.825 125.002 121.223 -0.076 0.000 2.283 174 L HA 0.258 4.597 4.340 -0.002 0.000 0.287 174 L C -0.374 176.392 176.870 -0.173 0.000 1.073 174 L CA -0.523 54.201 54.840 -0.194 0.000 0.822 174 L CB 0.840 42.798 42.059 -0.168 0.000 1.186 174 L HN 0.432 nan 8.230 nan 0.000 0.436 175 V N 4.298 123.973 119.914 -0.397 0.000 2.546 175 V HA 0.294 4.412 4.120 -0.002 0.000 0.284 175 V C -0.360 175.377 176.094 -0.595 0.000 1.050 175 V CA -0.234 61.844 62.300 -0.371 0.000 0.981 175 V CB 0.835 32.355 31.823 -0.506 0.000 0.990 175 V HN 0.429 nan 8.190 nan 0.000 0.474 176 Y N 2.758 123.064 120.300 0.010 0.000 2.665 176 Y HA 0.655 5.203 4.550 -0.002 0.000 0.336 176 Y C -0.782 175.238 175.900 0.201 0.000 1.085 176 Y CA -0.986 57.146 58.100 0.053 0.000 1.096 176 Y CB 2.003 40.419 38.460 -0.072 0.000 1.301 176 Y HN 0.584 nan 8.280 nan 0.000 0.493 177 Y N 0.981 121.442 120.300 0.268 0.000 2.457 177 Y HA 0.662 5.211 4.550 -0.002 0.000 0.343 177 Y C -1.305 174.738 175.900 0.237 0.000 0.994 177 Y CA -1.306 56.934 58.100 0.234 0.000 1.031 177 Y CB 1.416 39.994 38.460 0.195 0.000 1.246 177 Y HN 0.544 nan 8.280 nan 0.000 0.449 178 R N 3.373 123.517 120.500 -0.592 0.000 2.439 178 R HA 0.288 4.627 4.340 -0.002 0.000 0.310 178 R C 0.567 176.219 176.300 -1.080 0.000 0.955 178 R CA -0.032 55.611 56.100 -0.762 0.000 0.853 178 R CB 1.774 31.675 30.300 -0.664 0.000 1.171 178 R HN 0.904 nan 8.270 nan 0.000 0.449 179 S N 0.516 115.586 115.700 -1.050 0.000 2.428 179 S HA -0.089 4.380 4.470 -0.002 0.000 0.230 179 S C 0.462 174.824 174.600 -0.396 0.000 1.014 179 S CA 0.682 58.540 58.200 -0.569 0.000 0.957 179 S CB 0.025 63.082 63.200 -0.239 0.000 0.784 179 S HN 0.662 nan 8.310 nan 0.000 0.499 180 D N 0.168 120.288 120.400 -0.467 0.000 2.857 180 D HA 0.231 4.869 4.640 -0.002 0.000 0.227 180 D C 0.690 176.808 176.300 -0.303 0.000 1.192 180 D CA -0.550 53.281 54.000 -0.282 0.000 0.857 180 D CB 1.565 42.235 40.800 -0.217 0.000 1.645 180 D HN 0.163 nan 8.370 nan 0.000 0.482 181 E N 1.472 121.568 120.200 -0.173 0.000 2.267 181 E HA -0.218 4.131 4.350 -0.002 0.000 0.197 181 E C 0.086 176.550 176.600 -0.226 0.000 0.998 181 E CA 1.043 57.352 56.400 -0.151 0.000 0.830 181 E CB 0.035 29.719 29.700 -0.026 0.000 0.751 181 E HN 0.370 nan 8.360 nan 0.000 0.491 182 D N 1.118 121.383 120.400 -0.224 0.000 2.339 182 D HA 0.036 4.675 4.640 -0.002 0.000 0.217 182 D C -0.195 175.948 176.300 -0.262 0.000 1.050 182 D CA 0.185 54.041 54.000 -0.239 0.000 0.856 182 D CB -0.047 40.628 40.800 -0.209 0.000 0.922 182 D HN 0.160 nan 8.370 nan 0.000 0.518 183 D N 0.171 120.351 120.400 -0.368 0.000 2.361 183 D HA 0.004 4.643 4.640 -0.002 0.000 0.239 183 D C 0.167 176.231 176.300 -0.394 0.000 1.200 183 D CA 0.307 54.021 54.000 -0.477 0.000 0.915 183 D CB 0.862 41.225 40.800 -0.728 0.000 1.170 183 D HN -0.204 nan 8.370 nan 0.000 0.444 184 S N 0.113 115.611 115.700 -0.338 0.000 2.410 184 S HA 0.047 4.516 4.470 -0.002 0.000 0.304 184 S C 1.196 175.745 174.600 -0.084 0.000 1.095 184 S CA -0.680 57.412 58.200 -0.179 0.000 1.089 184 S CB 0.496 63.623 63.200 -0.121 0.000 0.968 184 S HN 0.362 nan 8.310 nan 0.000 0.480 185 Q N 4.135 123.769 119.800 -0.277 0.000 2.291 185 Q HA -0.165 4.173 4.340 -0.002 0.000 0.206 185 Q C 0.403 176.287 176.000 -0.193 0.000 0.976 185 Q CA 1.576 57.224 55.803 -0.259 0.000 0.875 185 Q CB -0.592 27.838 28.738 -0.513 0.000 0.927 185 Q HN 0.885 nan 8.270 nan 0.000 0.450 186 Y N 2.125 122.414 120.300 -0.019 0.000 2.569 186 Y HA -0.118 4.430 4.550 -0.002 0.000 0.293 186 Y C 2.515 178.637 175.900 0.370 0.000 1.144 186 Y CA 1.215 59.365 58.100 0.083 0.000 1.321 186 Y CB -0.107 38.394 38.460 0.068 0.000 0.982 186 Y HN 0.366 nan 8.280 nan 0.000 0.558 187 S N -1.880 114.085 115.700 0.442 0.000 2.558 187 S HA -0.013 4.455 4.470 -0.002 0.000 0.217 187 S C 0.134 174.808 174.600 0.123 0.000 0.975 187 S CA 0.225 58.648 58.200 0.372 0.000 0.912 187 S CB -0.350 62.976 63.200 0.210 0.000 0.776 187 S HN 0.440 nan 8.310 nan 0.000 0.526 188 H N 2.255 121.396 119.070 0.117 0.000 2.336 188 H HA 0.462 5.017 4.556 -0.002 0.000 0.230 188 H C -2.809 172.624 175.328 0.176 0.000 1.426 188 H CA -1.803 54.307 56.048 0.103 0.000 1.359 188 H CB 0.766 30.563 29.762 0.058 0.000 1.555 188 H HN 0.356 nan 8.280 nan 0.000 0.512 189 P HA 0.130 nan 4.420 nan 0.000 0.276 189 P C -0.111 177.033 177.300 -0.260 0.000 1.244 189 P CA -0.352 62.618 63.100 -0.218 0.000 0.801 189 P CB 2.056 33.585 31.700 -0.284 0.000 1.006 190 L N 1.285 122.280 121.223 -0.380 0.000 2.376 190 L HA 0.273 4.612 4.340 -0.002 0.000 0.267 190 L C 1.632 178.294 176.870 -0.348 0.000 1.035 190 L CA -0.490 54.161 54.840 -0.316 0.000 0.800 190 L CB 0.784 42.603 42.059 -0.400 0.000 1.290 190 L HN 0.374 nan 8.230 nan 0.000 0.462 191 D N -0.769 119.541 120.400 -0.151 0.000 2.349 191 D HA -0.023 4.616 4.640 -0.002 0.000 0.215 191 D C 0.077 176.515 176.300 0.229 0.000 1.016 191 D CA 0.187 54.202 54.000 0.025 0.000 0.870 191 D CB -0.076 40.775 40.800 0.085 0.000 0.917 191 D HN 0.220 nan 8.370 nan 0.000 0.524 192 F N -0.679 119.319 119.950 0.079 0.000 2.497 192 F HA 0.620 5.146 4.527 -0.002 0.000 0.331 192 F C -0.545 175.278 175.800 0.038 0.000 1.060 192 F CA -2.277 55.762 58.000 0.065 0.000 0.989 192 F CB 1.120 40.134 39.000 0.024 0.000 1.245 192 F HN -0.129 nan 8.300 nan 0.000 0.486 193 C N 3.783 123.184 119.300 0.168 0.000 2.455 193 C HA 0.620 5.079 4.460 -0.002 0.000 0.321 193 C C -2.832 172.248 174.990 0.150 0.000 1.102 193 C CA -2.052 56.992 59.018 0.045 0.000 1.413 193 C CB 0.220 27.934 27.740 -0.044 0.000 1.952 193 C HN 0.665 nan 8.230 nan 0.000 0.428 194 P HA 0.319 nan 4.420 nan 0.000 0.275 194 P C -0.663 176.691 177.300 0.089 0.000 1.227 194 P CA -0.085 63.105 63.100 0.151 0.000 0.781 194 P CB 0.469 32.261 31.700 0.154 0.000 0.906 195 I N 3.641 124.260 120.570 0.083 0.000 2.339 195 I HA 0.257 4.425 4.170 -0.002 0.000 0.290 195 I C -0.113 175.962 176.117 -0.069 0.000 0.994 195 I CA -0.626 60.664 61.300 -0.017 0.000 1.191 195 I CB 1.284 39.233 38.000 -0.086 0.000 1.343 195 I HN 0.037 nan 8.210 nan 0.000 0.458 196 V N 5.275 125.144 119.914 -0.074 0.000 2.459 196 V HA 0.265 4.384 4.120 -0.002 0.000 0.295 196 V C 0.107 176.138 176.094 -0.105 0.000 1.029 196 V CA -0.811 61.450 62.300 -0.066 0.000 0.874 196 V CB 2.200 34.016 31.823 -0.011 0.000 0.985 196 V HN 0.619 nan 8.190 nan 0.000 0.438 197 D N 3.273 123.608 120.400 -0.109 0.000 2.352 197 D HA 0.090 4.729 4.640 -0.002 0.000 0.245 197 D C 1.229 177.495 176.300 -0.057 0.000 1.224 197 D CA 0.113 54.048 54.000 -0.109 0.000 0.879 197 D CB 1.677 42.417 40.800 -0.101 0.000 1.057 197 D HN 0.620 nan 8.370 nan 0.000 0.491 198 T N 3.168 117.695 114.554 -0.044 0.000 2.720 198 T HA -0.211 4.137 4.350 -0.002 0.000 0.268 198 T C 1.546 176.234 174.700 -0.020 0.000 1.037 198 T CA 1.333 63.422 62.100 -0.019 0.000 1.144 198 T CB 0.105 68.969 68.868 -0.006 0.000 0.864 198 T HN 0.591 nan 8.240 nan 0.000 0.444 199 E N 0.582 120.765 120.200 -0.027 0.000 2.028 199 E HA -0.133 4.216 4.350 -0.002 0.000 0.190 199 E C 1.982 178.569 176.600 -0.022 0.000 0.984 199 E CA 0.813 57.198 56.400 -0.025 0.000 0.800 199 E CB 0.097 29.780 29.700 -0.029 0.000 0.758 199 E HN 0.282 nan 8.360 nan 0.000 0.448 200 E N 0.774 120.959 120.200 -0.026 0.000 2.478 200 E HA -0.066 4.283 4.350 -0.002 0.000 0.198 200 E C -0.123 176.466 176.600 -0.017 0.000 1.046 200 E CA 0.287 56.675 56.400 -0.020 0.000 0.870 200 E CB 0.010 29.696 29.700 -0.022 0.000 0.818 200 E HN 0.239 nan 8.360 nan 0.000 0.527 201 K N 1.069 121.458 120.400 -0.018 0.000 3.689 201 K HA -0.231 4.088 4.320 -0.002 0.000 0.276 201 K C -0.276 176.318 176.600 -0.010 0.000 0.932 201 K CA 0.796 57.077 56.287 -0.011 0.000 0.758 201 K CB -1.526 30.970 32.500 -0.006 0.000 1.500 201 K HN 0.312 nan 8.250 nan 0.000 0.448 202 K N -2.513 117.877 120.400 -0.017 0.000 2.551 202 K HA 0.471 4.790 4.320 -0.002 0.000 0.269 202 K C -0.615 175.972 176.600 -0.021 0.000 0.949 202 K CA -1.225 55.054 56.287 -0.014 0.000 0.849 202 K CB 1.548 34.041 32.500 -0.012 0.000 1.411 202 K HN -0.094 nan 8.250 nan 0.000 0.432 203 V N 3.395 123.304 119.914 -0.009 0.000 2.455 203 V HA 0.102 4.221 4.120 -0.002 0.000 0.273 203 V C 1.216 177.308 176.094 -0.002 0.000 1.045 203 V CA -0.232 62.066 62.300 -0.004 0.000 0.976 203 V CB 0.290 32.120 31.823 0.011 0.000 0.993 203 V HN 0.843 nan 8.190 nan 0.000 0.475 204 I N 1.581 122.143 120.570 -0.013 0.000 3.941 204 I HA 0.524 4.692 4.170 -0.002 0.000 0.321 204 I C 0.147 176.386 176.117 0.204 0.000 1.284 204 I CA 0.506 61.824 61.300 0.031 0.000 1.226 204 I CB 0.375 38.326 38.000 -0.082 0.000 1.045 204 I HN 0.467 nan 8.210 nan 0.000 0.420 205 F N 0.955 120.896 119.950 -0.015 0.000 2.769 205 F HA 0.605 5.131 4.527 -0.002 0.000 0.313 205 F C -1.981 173.866 175.800 0.078 0.000 1.146 205 F CA -0.964 57.084 58.000 0.080 0.000 0.934 205 F CB 1.632 40.768 39.000 0.228 0.000 1.283 205 F HN -0.239 nan 8.300 nan 0.000 0.443 206 I N 3.642 124.063 120.570 -0.247 0.000 2.478 206 I HA 0.281 4.450 4.170 -0.002 0.000 0.287 206 I C -1.396 174.759 176.117 0.064 0.000 1.042 206 I CA -0.807 60.493 61.300 0.001 0.000 1.067 206 I CB 1.852 39.809 38.000 -0.072 0.000 1.233 206 I HN 0.352 nan 8.210 nan 0.000 0.431 207 D N 7.661 128.255 120.400 0.324 0.000 2.317 207 D HA 0.434 5.073 4.640 -0.002 0.000 0.252 207 D C -0.280 176.173 176.300 0.254 0.000 1.174 207 D CA 0.298 54.527 54.000 0.382 0.000 0.866 207 D CB 1.703 42.738 40.800 0.392 0.000 1.127 207 D HN 0.301 nan 8.370 nan 0.000 0.467 208 I N 4.613 125.301 120.570 0.196 0.000 2.389 208 I HA 0.218 4.387 4.170 -0.002 0.000 0.288 208 I C -1.856 174.351 176.117 0.150 0.000 0.999 208 I CA -1.870 59.524 61.300 0.156 0.000 1.129 208 I CB 2.053 40.081 38.000 0.047 0.000 1.288 208 I HN 0.088 nan 8.210 nan 0.000 0.444 209 P HA 0.186 nan 4.420 nan 0.000 0.272 209 P C -0.226 177.134 177.300 0.101 0.000 1.230 209 P CA -0.323 62.866 63.100 0.148 0.000 0.788 209 P CB 1.103 32.921 31.700 0.197 0.000 0.949 210 N N 0.847 119.595 118.700 0.081 0.000 2.216 210 N HA -0.063 4.676 4.740 -0.002 0.000 0.183 210 N C 0.554 176.099 175.510 0.059 0.000 1.017 210 N CA 0.931 54.013 53.050 0.054 0.000 0.861 210 N CB -0.026 38.485 38.487 0.040 0.000 0.986 210 N HN 0.414 nan 8.380 nan 0.000 0.428 211 R N 1.745 122.294 120.500 0.081 0.000 2.210 211 R HA 0.223 4.561 4.340 -0.002 0.000 0.338 211 R C -0.136 176.215 176.300 0.084 0.000 1.062 211 R CA -0.435 55.712 56.100 0.078 0.000 0.902 211 R CB 0.852 31.209 30.300 0.094 0.000 1.050 211 R HN -0.083 nan 8.270 nan 0.000 0.461 212 R N 2.830 123.364 120.500 0.057 0.000 2.308 212 R HA 0.271 4.610 4.340 -0.002 0.000 0.305 212 R C -0.243 176.077 176.300 0.033 0.000 1.053 212 R CA -0.675 55.456 56.100 0.052 0.000 0.957 212 R CB 1.180 31.500 30.300 0.033 0.000 1.022 212 R HN 0.407 nan 8.270 nan 0.000 0.461 213 R N 1.875 122.389 120.500 0.024 0.000 2.451 213 R HA 0.315 4.654 4.340 -0.002 0.000 0.307 213 R C -0.265 176.023 176.300 -0.019 0.000 0.965 213 R CA -0.491 55.600 56.100 -0.015 0.000 0.865 213 R CB 1.737 32.000 30.300 -0.062 0.000 1.174 213 R HN 0.317 nan 8.270 nan 0.000 0.455 214 K N 1.252 121.640 120.400 -0.020 0.000 2.168 214 K HA 0.278 4.597 4.320 -0.002 0.000 0.258 214 K C -0.043 176.529 176.600 -0.046 0.000 1.010 214 K CA -0.709 55.564 56.287 -0.024 0.000 0.929 214 K CB 0.865 33.349 32.500 -0.027 0.000 0.998 214 K HN 0.168 nan 8.250 nan 0.000 0.479 215 V N 1.625 121.504 119.914 -0.059 0.000 2.843 215 V HA -0.117 4.002 4.120 -0.002 0.000 0.305 215 V C 0.817 176.888 176.094 -0.037 0.000 1.120 215 V CA 0.150 62.408 62.300 -0.070 0.000 1.254 215 V CB 0.916 32.633 31.823 -0.175 0.000 0.901 215 V HN 0.815 nan 8.190 nan 0.000 0.503 216 S N 3.138 118.823 115.700 -0.024 0.000 2.562 216 S HA 0.143 4.612 4.470 -0.002 0.000 0.281 216 S C 0.801 175.470 174.600 0.115 0.000 1.333 216 S CA -0.242 57.944 58.200 -0.023 0.000 1.052 216 S CB 0.372 63.406 63.200 -0.277 0.000 0.884 216 S HN 0.759 nan 8.310 nan 0.000 0.506 217 K N 2.102 122.523 120.400 0.035 0.000 2.358 217 K HA 0.115 4.434 4.320 -0.002 0.000 0.197 217 K C -0.100 176.515 176.600 0.026 0.000 1.025 217 K CA -0.022 56.277 56.287 0.020 0.000 1.104 217 K CB 0.076 32.522 32.500 -0.090 0.000 0.855 217 K HN 0.694 nan 8.250 nan 0.000 0.531 218 H N 1.358 120.524 119.070 0.159 0.000 2.660 218 H HA 0.098 4.653 4.556 -0.002 0.000 0.374 218 H C 0.074 175.609 175.328 0.346 0.000 1.291 218 H CA 0.122 56.275 56.048 0.174 0.000 1.437 218 H CB 0.560 30.360 29.762 0.063 0.000 1.509 218 H HN -0.146 nan 8.280 nan 0.000 0.614 219 K N 0.836 121.496 120.400 0.433 0.000 2.276 219 K HA 0.069 4.388 4.320 -0.002 0.000 0.259 219 K C -0.440 176.457 176.600 0.495 0.000 1.001 219 K CA -0.182 56.334 56.287 0.382 0.000 0.927 219 K CB 0.221 32.890 32.500 0.282 0.000 0.969 219 K HN 0.510 nan 8.250 nan 0.000 0.490 220 H N -0.136 119.047 119.070 0.189 0.000 2.707 220 H HA 0.172 4.727 4.556 -0.002 0.000 0.359 220 H C -0.279 175.033 175.328 -0.026 0.000 1.113 220 H CA 0.100 56.218 56.048 0.115 0.000 1.422 220 H CB 0.877 30.540 29.762 -0.164 0.000 1.443 220 H HN 0.667 nan 8.280 nan 0.000 0.591 221 A N 4.236 126.974 122.820 -0.136 0.000 2.527 221 A HA 0.203 4.521 4.320 -0.002 0.000 0.313 221 A C -0.085 177.329 177.584 -0.284 0.000 1.410 221 A CA -0.673 51.156 52.037 -0.348 0.000 1.060 221 A CB -0.562 17.976 19.000 -0.771 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.979 119.514 118.700 -0.275 0.000 2.477 222 N HA 0.624 5.363 4.740 -0.002 0.000 0.284 222 N C -0.170 175.232 175.510 -0.180 0.000 1.182 222 N CA -0.333 52.430 53.050 -0.479 0.000 0.949 222 N CB 1.151 38.988 38.487 -1.084 0.000 1.204 222 N HN 0.586 nan 8.380 nan 0.000 0.526 223 F N -2.309 117.656 119.950 0.025 0.000 2.856 223 F HA 0.443 4.969 4.527 -0.002 0.000 0.338 223 F C -0.313 175.530 175.800 0.072 0.000 1.100 223 F CA -0.836 57.177 58.000 0.022 0.000 1.150 223 F CB -0.574 38.357 39.000 -0.115 0.000 1.101 223 F HN 0.195 nan 8.300 nan 0.000 0.548 224 Y N 2.549 122.982 120.300 0.222 0.000 2.314 224 Y HA 0.333 4.882 4.550 -0.002 0.000 0.334 224 Y C -1.040 174.882 175.900 0.036 0.000 1.266 224 Y CA -1.639 56.534 58.100 0.121 0.000 1.391 224 Y CB 0.245 38.663 38.460 -0.070 0.000 1.306 224 Y HN -0.224 nan 8.280 nan 0.000 0.558 225 P HA -0.281 nan 4.420 nan 0.000 0.216 225 P C 1.108 178.422 177.300 0.024 0.000 1.157 225 P CA 2.814 65.954 63.100 0.068 0.000 0.880 225 P CB 0.116 31.848 31.700 0.054 0.000 0.791 226 K N -1.011 119.354 120.400 -0.059 0.000 2.103 226 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 226 K C 1.769 178.323 176.600 -0.077 0.000 1.048 226 K CA 1.776 57.993 56.287 -0.118 0.000 0.930 226 K CB -1.233 31.131 32.500 -0.227 0.000 0.716 226 K HN 0.279 nan 8.250 nan 0.000 0.444 227 H N 0.041 119.132 119.070 0.035 0.000 2.357 227 H HA 0.043 4.598 4.556 -0.002 0.000 0.301 227 H C 2.202 177.552 175.328 0.036 0.000 1.082 227 H CA 1.427 57.487 56.048 0.019 0.000 1.342 227 H CB 0.050 29.810 29.762 -0.004 0.000 1.389 227 H HN 0.082 nan 8.280 nan 0.000 0.511 228 M N 0.269 119.971 119.600 0.170 0.000 2.117 228 M HA -0.118 4.361 4.480 -0.002 0.000 0.262 228 M C 2.346 178.694 176.300 0.081 0.000 1.065 228 M CA 1.279 56.648 55.300 0.115 0.000 1.114 228 M CB -0.711 31.948 32.600 0.097 0.000 1.361 228 M HN 0.318 nan 8.290 nan 0.000 0.408 229 I N -0.204 120.403 120.570 0.062 0.000 2.264 229 I HA -0.298 3.871 4.170 -0.002 0.000 0.248 229 I C 2.508 178.655 176.117 0.050 0.000 1.111 229 I CA 1.346 62.672 61.300 0.044 0.000 1.382 229 I CB -0.370 37.645 38.000 0.026 0.000 1.060 229 I HN 0.431 nan 8.210 nan 0.000 0.418 230 E N 1.046 121.284 120.200 0.063 0.000 2.112 230 E HA -0.234 4.115 4.350 -0.002 0.000 0.190 230 E C 2.178 178.823 176.600 0.075 0.000 0.979 230 E CA 0.835 57.275 56.400 0.066 0.000 0.814 230 E CB 0.193 29.939 29.700 0.078 0.000 0.762 230 E HN 0.321 nan 8.360 nan 0.000 0.460 231 K N 0.477 120.930 120.400 0.089 0.000 2.007 231 K HA -0.048 4.271 4.320 -0.002 0.000 0.206 231 K C 0.971 177.617 176.600 0.077 0.000 1.047 231 K CA 1.239 57.581 56.287 0.091 0.000 0.937 231 K CB 0.228 32.790 32.500 0.104 0.000 0.718 231 K HN 0.084 nan 8.250 nan 0.000 0.438 232 V N -2.920 117.035 119.914 0.069 0.000 3.096 232 V HA 0.514 4.633 4.120 -0.002 0.000 0.319 232 V C 1.338 177.460 176.094 0.048 0.000 1.103 232 V CA -0.366 61.968 62.300 0.057 0.000 1.016 232 V CB 0.872 32.727 31.823 0.054 0.000 1.090 232 V HN 0.288 nan 8.190 nan 0.000 0.449 233 G N 0.599 109.423 108.800 0.040 0.000 2.599 233 G HA2 0.213 4.172 3.960 -0.002 0.000 0.219 233 G HA3 0.213 4.172 3.960 -0.002 0.000 0.219 233 G C 0.557 175.476 174.900 0.031 0.000 1.193 233 G CA 1.936 47.056 45.100 0.033 0.000 0.778 233 G HN 1.926 nan 8.290 nan 0.000 0.589 234 A N -2.719 120.120 122.820 0.031 0.000 2.438 234 A HA 0.620 4.938 4.320 -0.002 0.000 0.301 234 A C -0.574 177.027 177.584 0.028 0.000 1.101 234 A CA -0.606 51.447 52.037 0.028 0.000 0.621 234 A CB 0.261 19.274 19.000 0.022 0.000 1.350 234 A HN 0.074 nan 8.150 nan 0.000 0.496 235 M N 0.774 120.389 119.600 0.025 0.000 2.202 235 M HA 0.340 4.819 4.480 -0.002 0.000 0.316 235 M C 0.618 176.929 176.300 0.018 0.000 1.138 235 M CA 0.173 55.487 55.300 0.023 0.000 1.151 235 M CB 0.037 32.649 32.600 0.021 0.000 1.422 235 M HN 0.709 nan 8.290 nan 0.000 0.471 236 R N 0.797 121.307 120.500 0.016 0.000 2.582 236 R HA 0.354 4.693 4.340 -0.002 0.000 0.271 236 R C -2.072 174.234 176.300 0.010 0.000 1.078 236 R CA -1.402 54.706 56.100 0.012 0.000 1.127 236 R CB -0.508 29.798 30.300 0.010 0.000 1.038 236 R HN 0.388 nan 8.270 nan 0.000 0.500 237 P HA -0.054 nan 4.420 nan 0.000 0.268 237 P C -0.667 176.637 177.300 0.006 0.000 1.208 237 P CA -0.141 62.964 63.100 0.008 0.000 0.777 237 P CB 0.473 32.178 31.700 0.007 0.000 0.875 238 E N 1.414 121.618 120.200 0.006 0.000 2.465 238 E HA 0.267 4.616 4.350 -0.002 0.000 0.260 238 E C -0.398 176.204 176.600 0.004 0.000 0.980 238 E CA 0.055 56.458 56.400 0.005 0.000 0.927 238 E CB 0.035 29.739 29.700 0.005 0.000 0.934 238 E HN 0.455 nan 8.360 nan 0.000 0.459 239 A N 5.481 128.303 122.820 0.003 0.000 2.322 239 A HA 0.483 4.802 4.320 -0.002 0.000 0.269 239 A C -2.070 175.516 177.584 0.003 0.000 1.094 239 A CA -1.384 50.654 52.037 0.002 0.000 0.807 239 A CB -0.113 18.887 19.000 0.000 0.000 1.047 239 A HN 0.646 nan 8.150 nan 0.000 0.487 240 P HA 0.177 nan 4.420 nan 0.000 0.262 240 P C -2.215 175.086 177.300 0.003 0.000 1.182 240 P CA -0.325 62.777 63.100 0.003 0.000 0.761 240 P CB -0.071 31.631 31.700 0.003 0.000 0.795 241 P HA 0.208 nan 4.420 nan 0.000 0.271 241 P C -0.699 176.604 177.300 0.005 0.000 1.218 241 P CA 0.176 63.279 63.100 0.005 0.000 0.780 241 P CB 0.939 32.643 31.700 0.006 0.000 0.901 242 I N 2.956 123.529 120.570 0.005 0.000 2.405 242 I HA 0.206 4.375 4.170 -0.002 0.000 0.280 242 I C 0.153 176.275 176.117 0.010 0.000 1.027 242 I CA -0.620 60.684 61.300 0.007 0.000 1.161 242 I CB 0.743 38.745 38.000 0.005 0.000 1.300 242 I HN 0.188 nan 8.210 nan 0.000 0.463 243 N N 6.056 124.763 118.700 0.011 0.000 2.456 243 N HA 0.439 5.178 4.740 -0.002 0.000 0.288 243 N C -0.721 174.801 175.510 0.019 0.000 1.059 243 N CA -0.371 52.688 53.050 0.014 0.000 0.946 243 N CB 2.851 41.347 38.487 0.014 0.000 1.150 243 N HN 0.161 nan 8.380 nan 0.000 0.479 244 V N 1.406 121.334 119.914 0.023 0.000 2.444 244 V HA 0.515 4.634 4.120 -0.002 0.000 0.294 244 V C 0.039 176.153 176.094 0.034 0.000 1.022 244 V CA -0.602 61.717 62.300 0.032 0.000 0.850 244 V CB 1.481 33.328 31.823 0.040 0.000 0.992 244 V HN 0.871 nan 8.190 nan 0.000 0.426 245 T N 1.758 116.332 114.554 0.034 0.000 2.903 245 T HA 0.641 4.990 4.350 -0.002 0.000 0.299 245 T C -0.832 173.890 174.700 0.035 0.000 1.093 245 T CA -0.818 61.302 62.100 0.032 0.000 1.002 245 T CB 2.288 71.171 68.868 0.024 0.000 1.127 245 T HN 0.497 nan 8.240 nan 0.000 0.488 246 Q N 1.924 121.744 119.800 0.033 0.000 2.907 246 Q HA 0.261 4.600 4.340 -0.002 0.000 0.262 246 Q C -1.706 174.304 176.000 0.016 0.000 0.997 246 Q CA -2.074 53.748 55.803 0.030 0.000 0.797 246 Q CB 1.606 30.368 28.738 0.039 0.000 1.228 246 Q HN 0.593 nan 8.270 nan 0.000 0.466 247 P HA -0.209 nan 4.420 nan 0.000 0.217 247 P C 0.106 177.407 177.300 0.003 0.000 1.148 247 P CA 1.351 64.456 63.100 0.009 0.000 0.828 247 P CB 0.471 32.177 31.700 0.010 0.000 0.783 248 E N -0.408 119.792 120.200 0.002 0.000 2.451 248 E HA 0.360 4.709 4.350 -0.002 0.000 0.194 248 E C 0.926 177.515 176.600 -0.019 0.000 1.027 248 E CA 0.015 56.411 56.400 -0.006 0.000 0.914 248 E CB 0.135 29.834 29.700 -0.002 0.000 1.054 248 E HN 0.259 nan 8.360 nan 0.000 0.461 249 G N 0.842 109.629 108.800 -0.023 0.000 2.660 249 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.215 249 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.215 249 G C -0.077 174.781 174.900 -0.070 0.000 1.345 249 G CA -0.478 44.590 45.100 -0.053 0.000 0.877 249 G HN 0.408 nan 8.290 nan 0.000 0.549 250 V N -2.653 117.160 119.914 -0.168 0.000 2.966 250 V HA 0.869 4.988 4.120 -0.002 0.000 0.317 250 V C 1.448 177.431 176.094 -0.185 0.000 1.070 250 V CA 0.860 63.027 62.300 -0.220 0.000 1.008 250 V CB 1.522 32.961 31.823 -0.639 0.000 1.070 250 V HN 2.299 nan 8.190 nan 0.000 0.457 251 S N 1.091 116.787 115.700 -0.007 0.000 2.524 251 S HA 0.216 4.685 4.470 -0.002 0.000 0.216 251 S C 0.465 175.171 174.600 0.177 0.000 0.987 251 S CA -0.101 58.148 58.200 0.082 0.000 0.909 251 S CB -0.673 62.623 63.200 0.159 0.000 0.781 251 S HN 1.042 nan 8.310 nan 0.000 0.521 252 F N 1.516 121.617 119.950 0.252 0.000 2.375 252 F HA 0.738 5.264 4.527 -0.002 0.000 0.333 252 F C -0.156 175.680 175.800 0.060 0.000 1.104 252 F CA -1.310 56.824 58.000 0.225 0.000 1.149 252 F CB 0.774 39.870 39.000 0.159 0.000 1.190 252 F HN -0.081 nan 8.300 nan 0.000 0.533 253 K N 4.945 125.485 120.400 0.233 0.000 2.463 253 K HA 0.481 4.799 4.320 -0.002 0.000 0.255 253 K C -1.593 175.050 176.600 0.072 0.000 0.942 253 K CA -0.686 55.655 56.287 0.089 0.000 0.814 253 K CB 1.307 33.825 32.500 0.030 0.000 1.122 253 K HN 0.927 nan 8.250 nan 0.000 0.425 254 M N 2.768 122.395 119.600 0.046 0.000 2.294 254 M HA 0.252 4.731 4.480 -0.002 0.000 0.335 254 M C -0.764 175.533 176.300 -0.005 0.000 1.079 254 M CA -0.613 54.659 55.300 -0.047 0.000 0.982 254 M CB 2.211 34.705 32.600 -0.176 0.000 1.651 254 M HN 0.507 nan 8.290 nan 0.000 0.437 255 T N 2.709 117.252 114.554 -0.018 0.000 3.060 255 T HA 0.537 4.886 4.350 -0.002 0.000 0.367 255 T C 0.584 175.302 174.700 0.031 0.000 1.229 255 T CA 0.229 62.343 62.100 0.025 0.000 1.104 255 T CB 0.822 69.712 68.868 0.037 0.000 1.083 255 T HN 1.082 nan 8.240 nan 0.000 0.524 256 G N 4.036 112.861 108.800 0.042 0.000 2.536 256 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.277 256 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.277 256 G C 0.672 175.556 174.900 -0.027 0.000 1.155 256 G CA -0.027 45.099 45.100 0.045 0.000 0.960 256 G HN 0.540 nan 8.290 nan 0.000 0.544 257 N N 0.525 119.170 118.700 -0.091 0.000 2.236 257 N HA 0.217 4.955 4.740 -0.002 0.000 0.196 257 N C 0.449 175.722 175.510 -0.396 0.000 1.114 257 N CA 0.614 53.488 53.050 -0.293 0.000 0.859 257 N CB 1.042 39.231 38.487 -0.496 0.000 0.982 257 N HN 0.384 nan 8.380 nan 0.000 0.493 258 V N 2.479 122.264 119.914 -0.216 0.000 2.432 258 V HA 0.187 4.306 4.120 -0.002 0.000 0.271 258 V C 0.302 176.218 176.094 -0.295 0.000 1.046 258 V CA -0.385 61.792 62.300 -0.204 0.000 0.945 258 V CB 1.073 32.893 31.823 -0.005 0.000 0.992 258 V HN 0.105 nan 8.190 nan 0.000 0.471 259 M N 5.345 124.618 119.600 -0.546 0.000 2.363 259 M HA 0.526 5.005 4.480 -0.002 0.000 0.343 259 M C -0.571 175.443 176.300 -0.476 0.000 1.165 259 M CA 0.132 55.043 55.300 -0.647 0.000 1.046 259 M CB 1.392 33.243 32.600 -1.248 0.000 1.648 259 M HN 0.654 nan 8.290 nan 0.000 0.452 260 E N 3.694 123.781 120.200 -0.189 0.000 2.265 260 E HA 0.438 4.786 4.350 -0.002 0.000 0.262 260 E C -2.229 174.473 176.600 0.170 0.000 0.889 260 E CA -0.289 56.097 56.400 -0.024 0.000 0.789 260 E CB 1.748 31.441 29.700 -0.011 0.000 1.221 260 E HN 0.772 nan 8.360 nan 0.000 0.414 261 W N 2.444 123.748 121.300 0.007 0.000 3.624 261 W HA 0.195 4.853 4.660 -0.002 0.000 0.312 261 W C -0.179 176.431 176.519 0.153 0.000 1.203 261 W CA -0.444 56.960 57.345 0.098 0.000 1.225 261 W CB 1.581 31.109 29.460 0.114 0.000 1.321 261 W HN 0.440 nan 8.180 nan 0.000 0.506 262 S N 5.108 120.371 115.700 -0.730 0.000 3.410 262 S HA -0.333 4.136 4.470 -0.002 0.000 0.369 262 S C 0.837 175.143 174.600 -0.490 0.000 0.961 262 S CA 2.004 59.734 58.200 -0.782 0.000 1.248 262 S CB -1.306 61.007 63.200 -1.480 0.000 0.914 262 S HN 0.997 nan 8.310 nan 0.000 0.497 263 N N -2.204 116.238 118.700 -0.430 0.000 2.967 263 N HA -0.176 4.562 4.740 -0.002 0.000 0.218 263 N C -0.175 175.013 175.510 -0.537 0.000 0.870 263 N CA 1.775 54.431 53.050 -0.656 0.000 1.030 263 N CB -1.489 36.221 38.487 -1.295 0.000 1.027 263 N HN 0.566 nan 8.380 nan 0.000 0.603 264 F N 1.576 121.467 119.950 -0.099 0.000 2.389 264 F HA 0.423 4.948 4.527 -0.002 0.000 0.337 264 F C 0.944 176.819 175.800 0.125 0.000 1.112 264 F CA 0.238 58.344 58.000 0.177 0.000 1.192 264 F CB 0.888 40.155 39.000 0.445 0.000 1.185 264 F HN -0.168 nan 8.300 nan 0.000 0.552 265 K N 4.342 124.994 120.400 0.420 0.000 2.535 265 K HA 0.582 4.900 4.320 -0.002 0.000 0.250 265 K C -1.812 174.973 176.600 0.309 0.000 0.948 265 K CA -0.481 55.914 56.287 0.181 0.000 0.796 265 K CB 1.437 34.003 32.500 0.109 0.000 1.216 265 K HN 0.509 nan 8.250 nan 0.000 0.432 266 F N -0.311 119.645 119.950 0.010 0.000 2.741 266 F HA 0.385 4.911 4.527 -0.002 0.000 0.311 266 F C -1.514 174.267 175.800 -0.032 0.000 1.149 266 F CA -1.170 56.833 58.000 0.005 0.000 0.930 266 F CB 0.940 39.913 39.000 -0.046 0.000 1.312 266 F HN 0.412 nan 8.300 nan 0.000 0.450 267 H N 2.663 121.769 119.070 0.060 0.000 2.488 267 H HA 0.528 5.083 4.556 -0.002 0.000 0.322 267 H C -1.091 174.221 175.328 -0.027 0.000 1.078 267 H CA -0.547 55.425 56.048 -0.127 0.000 1.260 267 H CB 1.417 31.005 29.762 -0.290 0.000 1.425 267 H HN 0.740 nan 8.280 nan 0.000 0.471 268 I N 5.794 126.061 120.570 -0.505 0.000 2.287 268 I HA 0.198 4.367 4.170 -0.002 0.000 0.290 268 I C 1.055 176.970 176.117 -0.337 0.000 1.069 268 I CA -0.285 60.859 61.300 -0.260 0.000 1.237 268 I CB 0.841 38.728 38.000 -0.188 0.000 1.418 268 I HN 0.547 nan 8.210 nan 0.000 0.481 269 G N 5.154 113.921 108.800 -0.055 0.000 2.557 269 G HA2 0.689 4.648 3.960 -0.002 0.000 0.302 269 G HA3 0.689 4.648 3.960 -0.002 0.000 0.302 269 G C -1.439 173.576 174.900 0.191 0.000 1.311 269 G CA -0.295 44.878 45.100 0.123 0.000 1.030 269 G HN 0.390 nan 8.290 nan 0.000 0.509 270 F N 0.427 120.395 119.950 0.031 0.000 2.669 270 F HA 0.420 4.946 4.527 -0.002 0.000 0.315 270 F C -1.230 174.636 175.800 0.110 0.000 1.109 270 F CA -0.950 57.075 58.000 0.043 0.000 1.028 270 F CB 1.815 40.831 39.000 0.027 0.000 1.287 270 F HN 0.823 nan 8.300 nan 0.000 0.452 271 N N 2.314 120.925 118.700 -0.148 0.000 2.647 271 N HA 0.258 4.997 4.740 -0.002 0.000 0.266 271 N C 0.121 175.583 175.510 -0.080 0.000 1.373 271 N CA -0.509 52.611 53.050 0.117 0.000 0.807 271 N CB 0.401 38.964 38.487 0.127 0.000 1.513 271 N HN 0.515 nan 8.380 nan 0.000 0.505 272 Y N -1.042 119.168 120.300 -0.149 0.000 2.365 272 Y HA 0.039 4.588 4.550 -0.002 0.000 0.287 272 Y C 2.005 177.439 175.900 -0.777 0.000 1.162 272 Y CA 1.303 58.895 58.100 -0.846 0.000 1.260 272 Y CB -0.346 37.231 38.460 -1.471 0.000 0.976 272 Y HN 0.653 nan 8.280 nan 0.000 0.548 273 R N 0.347 119.973 120.500 -1.457 0.000 2.064 273 R HA 0.085 4.423 4.340 -0.002 0.000 0.210 273 R C 1.985 177.866 176.300 -0.699 0.000 1.221 273 R CA 0.977 56.339 56.100 -1.230 0.000 1.055 273 R CB 0.015 29.386 30.300 -1.548 0.000 0.946 273 R HN 0.396 nan 8.270 nan 0.000 0.459 274 E N -0.160 119.736 120.200 -0.507 0.000 2.358 274 E HA 0.127 4.476 4.350 -0.002 0.000 0.195 274 E C 0.861 177.242 176.600 -0.364 0.000 1.010 274 E CA 0.414 56.631 56.400 -0.304 0.000 0.856 274 E CB 0.379 29.993 29.700 -0.143 0.000 0.795 274 E HN 0.566 nan 8.360 nan 0.000 0.504 275 G N 1.895 110.312 108.800 -0.638 0.000 2.523 275 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.271 275 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.271 275 G C 0.066 174.413 174.900 -0.922 0.000 1.146 275 G CA -0.196 44.300 45.100 -1.006 0.000 0.961 275 G HN 0.188 nan 8.290 nan 0.000 0.549 276 I N 1.162 121.553 120.570 -0.298 0.000 2.683 276 I HA 0.335 4.504 4.170 -0.002 0.000 0.286 276 I C 0.309 176.278 176.117 -0.247 0.000 1.175 276 I CA 0.099 61.363 61.300 -0.060 0.000 1.429 276 I CB 0.804 38.848 38.000 0.074 0.000 1.371 276 I HN 0.330 nan 8.210 nan 0.000 0.569 277 V N 7.939 127.720 119.914 -0.222 0.000 2.482 277 V HA 0.354 4.473 4.120 -0.002 0.000 0.295 277 V C -0.110 175.833 176.094 -0.253 0.000 1.026 277 V CA -0.554 61.585 62.300 -0.269 0.000 0.856 277 V CB 1.659 33.389 31.823 -0.154 0.000 1.001 277 V HN 0.446 nan 8.190 nan 0.000 0.424 278 L N 4.283 125.267 121.223 -0.398 0.000 2.264 278 L HA 0.672 5.011 4.340 -0.002 0.000 0.289 278 L C 0.213 176.985 176.870 -0.164 0.000 1.044 278 L CA 0.155 54.843 54.840 -0.254 0.000 0.807 278 L CB 1.542 43.350 42.059 -0.418 0.000 1.192 278 L HN 0.628 nan 8.230 nan 0.000 0.425 279 S N 0.671 116.353 115.700 -0.030 0.000 2.634 279 S HA 0.307 4.776 4.470 -0.002 0.000 0.296 279 S C -0.469 174.137 174.600 0.010 0.000 1.104 279 S CA -0.629 57.496 58.200 -0.124 0.000 0.920 279 S CB 1.748 64.783 63.200 -0.275 0.000 1.111 279 S HN 0.742 nan 8.310 nan 0.000 0.493 280 D N 0.947 121.304 120.400 -0.073 0.000 2.697 280 D HA -0.142 4.496 4.640 -0.002 0.000 0.235 280 D C -0.686 175.752 176.300 0.231 0.000 1.167 280 D CA 0.353 54.439 54.000 0.143 0.000 0.656 280 D CB -1.168 39.799 40.800 0.279 0.000 1.025 280 D HN 0.256 nan 8.370 nan 0.000 0.419 281 V N 1.220 121.261 119.914 0.213 0.000 2.455 281 V HA 0.518 4.637 4.120 -0.002 0.000 0.273 281 V C 0.919 177.157 176.094 0.240 0.000 1.045 281 V CA 0.354 62.822 62.300 0.280 0.000 0.976 281 V CB 1.376 33.345 31.823 0.243 0.000 0.993 281 V HN 0.488 nan 8.190 nan 0.000 0.475 282 S N 4.614 120.508 115.700 0.322 0.000 2.661 282 S HA 0.784 5.253 4.470 -0.002 0.000 0.285 282 S C -1.353 173.466 174.600 0.365 0.000 1.138 282 S CA -0.796 57.569 58.200 0.275 0.000 0.855 282 S CB 2.111 65.435 63.200 0.206 0.000 1.136 282 S HN 0.590 nan 8.310 nan 0.000 0.484 283 Y N 1.609 122.012 120.300 0.171 0.000 2.373 283 Y HA 0.500 5.049 4.550 -0.002 0.000 0.336 283 Y C -0.623 175.333 175.900 0.094 0.000 0.979 283 Y CA -0.784 57.367 58.100 0.085 0.000 1.080 283 Y CB 1.600 40.108 38.460 0.080 0.000 1.190 283 Y HN 0.862 nan 8.280 nan 0.000 0.446 284 N N 4.823 123.293 118.700 -0.384 0.000 2.415 284 N HA 0.013 4.752 4.740 -0.002 0.000 0.250 284 N C -1.170 174.257 175.510 -0.138 0.000 1.127 284 N CA 0.160 53.091 53.050 -0.199 0.000 0.945 284 N CB 0.312 38.649 38.487 -0.249 0.000 1.196 284 N HN 0.694 nan 8.380 nan 0.000 0.499 285 D N 2.657 123.171 120.400 0.189 0.000 2.522 285 D HA 0.086 4.725 4.640 -0.002 0.000 0.218 285 D C -0.396 175.990 176.300 0.144 0.000 1.149 285 D CA -0.107 54.066 54.000 0.287 0.000 0.981 285 D CB -0.718 40.342 40.800 0.433 0.000 1.041 285 D HN 0.557 nan 8.370 nan 0.000 0.518 286 H N 1.626 120.743 119.070 0.079 0.000 2.604 286 H HA -0.198 4.357 4.556 -0.002 0.000 0.321 286 H C 1.458 176.795 175.328 0.016 0.000 1.132 286 H CA 1.023 57.087 56.048 0.028 0.000 1.129 286 H CB -1.005 28.775 29.762 0.031 0.000 1.526 286 H HN 0.677 nan 8.280 nan 0.000 0.415 287 G N -0.147 108.686 108.800 0.055 0.000 2.279 287 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.223 287 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.223 287 G C 0.264 175.185 174.900 0.035 0.000 1.015 287 G CA 0.039 45.162 45.100 0.037 0.000 0.621 287 G HN 0.738 nan 8.290 nan 0.000 0.506 288 N N 0.860 119.596 118.700 0.061 0.000 2.469 288 N HA 0.420 5.159 4.740 -0.002 0.000 0.239 288 N C 0.076 175.630 175.510 0.074 0.000 1.053 288 N CA -0.359 52.723 53.050 0.055 0.000 0.937 288 N CB 0.669 39.190 38.487 0.056 0.000 1.163 288 N HN 0.068 nan 8.380 nan 0.000 0.509 289 V N 4.733 124.679 119.914 0.053 0.000 2.397 289 V HA 0.138 4.257 4.120 -0.002 0.000 0.262 289 V C 0.437 176.591 176.094 0.100 0.000 1.047 289 V CA 0.014 62.357 62.300 0.072 0.000 1.003 289 V CB -0.111 31.738 31.823 0.043 0.000 1.037 289 V HN 0.601 nan 8.190 nan 0.000 0.480 290 R N 5.894 126.496 120.500 0.171 0.000 2.338 290 R HA 0.460 4.799 4.340 -0.002 0.000 0.317 290 R C -2.738 173.697 176.300 0.226 0.000 0.968 290 R CA -1.857 54.355 56.100 0.187 0.000 0.849 290 R CB 1.477 31.903 30.300 0.210 0.000 1.128 290 R HN 0.394 nan 8.270 nan 0.000 0.448 291 P HA 0.123 nan 4.420 nan 0.000 0.272 291 P C -0.082 177.248 177.300 0.049 0.000 1.223 291 P CA 0.061 63.232 63.100 0.118 0.000 0.784 291 P CB 0.867 32.626 31.700 0.098 0.000 0.923 292 I N -0.501 119.990 120.570 -0.132 0.000 3.669 292 I HA 0.214 4.383 4.170 -0.002 0.000 0.255 292 I C -0.124 175.572 176.117 -0.702 0.000 1.144 292 I CA 0.426 61.355 61.300 -0.618 0.000 1.447 292 I CB 0.242 37.649 38.000 -0.989 0.000 1.622 292 I HN 0.121 nan 8.210 nan 0.000 0.435 293 F N 0.193 120.088 119.950 -0.093 0.000 2.565 293 F HA 0.365 4.890 4.527 -0.002 0.000 0.313 293 F C 0.996 176.792 175.800 -0.007 0.000 1.091 293 F CA -0.933 57.018 58.000 -0.081 0.000 0.915 293 F CB 0.858 39.765 39.000 -0.155 0.000 1.208 293 F HN -0.023 nan 8.300 nan 0.000 0.453 294 H N 1.789 120.932 119.070 0.122 0.000 2.497 294 H HA 0.290 4.845 4.556 -0.002 0.000 0.282 294 H C 0.058 175.374 175.328 -0.021 0.000 1.003 294 H CA 0.869 56.936 56.048 0.032 0.000 1.307 294 H CB 0.560 30.297 29.762 -0.041 0.000 1.437 294 H HN 0.596 nan 8.280 nan 0.000 0.544 295 R N 0.392 120.834 120.500 -0.097 0.000 2.579 295 R HA 0.352 4.691 4.340 -0.002 0.000 0.260 295 R C -2.203 173.959 176.300 -0.231 0.000 1.103 295 R CA -0.462 55.512 56.100 -0.210 0.000 0.942 295 R CB 1.714 31.890 30.300 -0.206 0.000 1.251 295 R HN 0.216 nan 8.270 nan 0.000 0.450 296 I N 2.796 123.179 120.570 -0.312 0.000 2.692 296 I HA 0.618 4.787 4.170 -0.002 0.000 0.293 296 I C -1.466 174.390 176.117 -0.435 0.000 1.200 296 I CA -0.088 60.982 61.300 -0.383 0.000 1.036 296 I CB 2.109 39.816 38.000 -0.488 0.000 1.258 296 I HN 0.932 nan 8.210 nan 0.000 0.421 297 S N 6.205 121.767 115.700 -0.230 0.000 2.656 297 S HA 0.509 4.978 4.470 -0.002 0.000 0.265 297 S C -1.721 172.984 174.600 0.174 0.000 1.132 297 S CA -1.067 57.075 58.200 -0.096 0.000 0.819 297 S CB 1.006 64.109 63.200 -0.162 0.000 1.119 297 S HN 0.580 nan 8.310 nan 0.000 0.476 298 L N 2.652 124.026 121.223 0.251 0.000 2.264 298 L HA 0.487 4.826 4.340 -0.002 0.000 0.289 298 L C 1.246 178.165 176.870 0.081 0.000 1.044 298 L CA -0.200 54.762 54.840 0.202 0.000 0.807 298 L CB 1.703 43.910 42.059 0.247 0.000 1.192 298 L HN 1.025 nan 8.230 nan 0.000 0.425 299 S N 0.804 116.535 115.700 0.051 0.000 2.503 299 S HA 0.190 4.659 4.470 -0.002 0.000 0.215 299 S C 0.322 174.933 174.600 0.018 0.000 1.003 299 S CA -0.155 58.105 58.200 0.099 0.000 0.910 299 S CB 0.472 63.779 63.200 0.179 0.000 0.790 299 S HN 0.663 nan 8.310 nan 0.000 0.514 300 E N -0.675 119.420 120.200 -0.175 0.000 2.417 300 E HA 0.666 5.014 4.350 -0.002 0.000 0.280 300 E C -1.775 174.650 176.600 -0.293 0.000 1.112 300 E CA -0.447 55.786 56.400 -0.277 0.000 0.863 300 E CB 1.114 30.540 29.700 -0.457 0.000 1.346 300 E HN 0.311 nan 8.360 nan 0.000 0.443 301 M N 1.385 120.926 119.600 -0.098 0.000 2.644 301 M HA 0.635 5.113 4.480 -0.002 0.000 0.273 301 M C -1.401 175.013 176.300 0.190 0.000 1.253 301 M CA -0.862 54.416 55.300 -0.036 0.000 0.852 301 M CB 2.575 35.033 32.600 -0.236 0.000 1.708 301 M HN 0.578 nan 8.290 nan 0.000 0.471 302 I N 0.885 121.516 120.570 0.102 0.000 2.710 302 I HA 0.432 4.601 4.170 -0.002 0.000 0.290 302 I C -1.706 174.382 176.117 -0.048 0.000 1.318 302 I CA -0.583 60.756 61.300 0.064 0.000 1.045 302 I CB 1.938 39.967 38.000 0.048 0.000 1.307 302 I HN 0.419 nan 8.210 nan 0.000 0.424 303 V N 8.876 128.795 119.914 0.009 0.000 2.225 303 V HA 0.346 4.465 4.120 -0.002 0.000 0.264 303 V C -2.249 173.882 176.094 0.061 0.000 1.067 303 V CA -1.267 61.006 62.300 -0.045 0.000 0.903 303 V CB 0.752 32.587 31.823 0.020 0.000 1.136 303 V HN 0.513 nan 8.190 nan 0.000 0.456 304 P HA 0.254 nan 4.420 nan 0.000 0.282 304 P C -0.616 176.678 177.300 -0.010 0.000 1.274 304 P CA -0.108 63.035 63.100 0.072 0.000 0.770 304 P CB 0.795 32.470 31.700 -0.041 0.000 0.867 305 F N 1.740 121.736 119.950 0.077 0.000 2.371 305 F HA 0.409 4.934 4.527 -0.002 0.000 0.329 305 F C 1.911 177.700 175.800 -0.019 0.000 1.107 305 F CA 0.480 58.522 58.000 0.069 0.000 1.137 305 F CB 0.767 39.809 39.000 0.070 0.000 1.214 305 F HN 0.381 nan 8.300 nan 0.000 0.536 306 G N 0.447 109.305 108.800 0.096 0.000 3.434 306 G HA2 0.071 4.030 3.960 -0.002 0.000 0.258 306 G HA3 0.071 4.030 3.960 -0.002 0.000 0.258 306 G C -0.026 174.790 174.900 -0.140 0.000 1.128 306 G CA -0.044 45.056 45.100 0.000 0.000 0.792 306 G HN 0.505 nan 8.290 nan 0.000 0.539 307 S N 1.272 116.838 115.700 -0.223 0.000 2.475 307 S HA 0.453 4.921 4.470 -0.002 0.000 0.281 307 S C -0.843 173.469 174.600 -0.481 0.000 1.198 307 S CA -1.419 56.482 58.200 -0.498 0.000 1.063 307 S CB 1.889 64.638 63.200 -0.750 0.000 0.972 307 S HN 0.088 nan 8.310 nan 0.000 0.486 308 P HA 0.065 nan 4.420 nan 0.000 0.236 308 P C -0.293 176.862 177.300 -0.241 0.000 1.177 308 P CA 0.219 63.048 63.100 -0.451 0.000 0.773 308 P CB 0.119 31.478 31.700 -0.569 0.000 0.878 309 E N 0.166 120.254 120.200 -0.188 0.000 2.360 309 E HA 0.112 4.460 4.350 -0.002 0.000 0.269 309 E C -0.351 176.156 176.600 -0.156 0.000 1.022 309 E CA -0.678 55.688 56.400 -0.055 0.000 0.887 309 E CB 0.338 30.078 29.700 0.067 0.000 0.990 309 E HN 0.048 nan 8.360 nan 0.000 0.426 310 F N 4.913 124.717 119.950 -0.243 0.000 2.529 310 F HA 0.073 4.599 4.527 -0.002 0.000 0.365 310 F C -1.395 174.089 175.800 -0.527 0.000 1.102 310 F CA -1.536 56.289 58.000 -0.292 0.000 1.271 310 F CB 0.842 39.744 39.000 -0.164 0.000 1.120 310 F HN 0.314 nan 8.300 nan 0.000 0.579 311 P HA 0.147 nan 4.420 nan 0.000 0.257 311 P C -0.151 176.685 177.300 -0.774 0.000 1.737 311 P CA 0.207 62.496 63.100 -1.351 0.000 1.130 311 P CB -0.374 30.592 31.700 -1.224 0.000 1.572 312 H N 0.496 119.304 119.070 -0.438 0.000 2.561 312 H HA -0.090 4.464 4.556 -0.002 0.000 0.278 312 H C 2.272 177.462 175.328 -0.229 0.000 1.014 312 H CA 0.680 56.516 56.048 -0.354 0.000 1.211 312 H CB 0.123 29.668 29.762 -0.361 0.000 1.365 312 H HN 0.243 nan 8.280 nan 0.000 0.594 313 Q N 1.647 121.360 119.800 -0.145 0.000 2.369 313 Q HA -0.112 4.227 4.340 -0.002 0.000 0.206 313 Q C 1.300 177.363 176.000 0.105 0.000 0.963 313 Q CA 1.015 56.794 55.803 -0.041 0.000 0.894 313 Q CB -0.062 28.632 28.738 -0.074 0.000 0.965 313 Q HN 0.481 nan 8.270 nan 0.000 0.475 314 R N 0.880 121.371 120.500 -0.016 0.000 2.319 314 R HA 0.163 4.502 4.340 -0.002 0.000 0.204 314 R C 0.082 176.386 176.300 0.007 0.000 0.954 314 R CA 0.132 56.250 56.100 0.030 0.000 1.066 314 R CB 0.272 30.505 30.300 -0.111 0.000 0.991 314 R HN 0.139 nan 8.270 nan 0.000 0.486 315 K N 1.963 122.412 120.400 0.082 0.000 2.296 315 K HA 0.098 4.417 4.320 -0.002 0.000 0.257 315 K C -0.407 176.470 176.600 0.462 0.000 1.088 315 K CA -0.130 56.237 56.287 0.133 0.000 0.980 315 K CB 0.512 32.842 32.500 -0.284 0.000 1.430 315 K HN 0.294 nan 8.250 nan 0.000 0.441 316 H N 0.112 119.397 119.070 0.358 0.000 3.080 316 H HA 0.191 4.746 4.556 -0.002 0.000 0.211 316 H C -0.746 174.702 175.328 0.200 0.000 1.359 316 H CA -0.704 55.495 56.048 0.253 0.000 1.322 316 H CB -0.609 29.220 29.762 0.112 0.000 2.164 316 H HN 0.352 nan 8.280 nan 0.000 0.526 317 A N 1.880 124.810 122.820 0.182 0.000 2.546 317 A HA 0.310 4.628 4.320 -0.002 0.000 0.243 317 A C 0.184 177.779 177.584 0.018 0.000 1.063 317 A CA -0.196 51.859 52.037 0.029 0.000 0.757 317 A CB 0.131 19.111 19.000 -0.033 0.000 0.991 317 A HN 0.468 nan 8.150 nan 0.000 0.503 318 L N 3.558 124.751 121.223 -0.049 0.000 2.494 318 L HA 0.208 4.547 4.340 -0.002 0.000 0.251 318 L C 0.711 177.500 176.870 -0.136 0.000 1.119 318 L CA -0.055 54.775 54.840 -0.016 0.000 1.026 318 L CB 0.602 42.692 42.059 0.052 0.000 1.370 318 L HN 0.755 nan 8.230 nan 0.000 0.426 319 D N 1.249 121.595 120.400 -0.091 0.000 2.133 319 D HA -0.259 4.379 4.640 -0.002 0.000 0.192 319 D C 2.030 178.230 176.300 -0.166 0.000 1.001 319 D CA 1.786 55.762 54.000 -0.040 0.000 0.844 319 D CB 0.278 41.103 40.800 0.042 0.000 0.944 319 D HN 0.480 nan 8.370 nan 0.000 0.447 320 I N 0.798 121.232 120.570 -0.228 0.000 2.142 320 I HA -0.178 3.991 4.170 -0.002 0.000 0.240 320 I C 2.561 178.469 176.117 -0.350 0.000 1.078 320 I CA 1.526 62.633 61.300 -0.322 0.000 1.343 320 I CB -0.399 37.437 38.000 -0.273 0.000 1.046 320 I HN 0.023 nan 8.210 nan 0.000 0.405 321 G N -0.381 108.248 108.800 -0.284 0.000 2.572 321 G HA2 -0.099 3.859 3.960 -0.002 0.000 0.216 321 G HA3 -0.099 3.859 3.960 -0.002 0.000 0.216 321 G C 1.430 176.187 174.900 -0.239 0.000 1.133 321 G CA 0.187 45.113 45.100 -0.290 0.000 0.791 321 G HN 0.410 nan 8.290 nan 0.000 0.538 322 E N -1.390 118.619 120.200 -0.318 0.000 2.431 322 E HA 0.136 4.485 4.350 -0.002 0.000 0.200 322 E C 0.885 177.158 176.600 -0.544 0.000 0.995 322 E CA 0.255 56.375 56.400 -0.467 0.000 0.915 322 E CB 0.367 29.652 29.700 -0.691 0.000 0.930 322 E HN 0.555 nan 8.360 nan 0.000 0.496 323 Y N -0.428 119.828 120.300 -0.074 0.000 2.640 323 Y HA 0.343 4.892 4.550 -0.002 0.000 0.274 323 Y C 0.780 176.666 175.900 -0.022 0.000 1.164 323 Y CA 0.232 58.311 58.100 -0.034 0.000 1.189 323 Y CB 1.060 39.476 38.460 -0.073 0.000 1.333 323 Y HN -0.041 nan 8.280 nan 0.000 0.494 324 G N 0.748 109.496 108.800 -0.087 0.000 3.421 324 G HA2 0.157 4.116 3.960 -0.002 0.000 0.686 324 G HA3 0.157 4.116 3.960 -0.002 0.000 0.686 324 G C 0.614 175.261 174.900 -0.423 0.000 1.056 324 G CA -0.258 44.644 45.100 -0.330 0.000 0.891 324 G HN 0.620 nan 8.290 nan 0.000 0.514 325 A N 1.332 123.770 122.820 -0.638 0.000 2.067 325 A HA 0.343 4.662 4.320 -0.002 0.000 0.219 325 A C 2.582 179.932 177.584 -0.390 0.000 1.158 325 A CA 2.436 53.957 52.037 -0.860 0.000 0.661 325 A CB -0.360 18.182 19.000 -0.765 0.000 0.801 325 A HN 2.148 nan 8.150 nan 0.000 0.452 326 G N -1.493 107.083 108.800 -0.374 0.000 2.404 326 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.213 326 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.213 326 G C 1.381 176.374 174.900 0.155 0.000 1.189 326 G CA 0.856 45.935 45.100 -0.035 0.000 0.796 326 G HN 0.424 nan 8.290 nan 0.000 0.532 327 Y N 0.722 120.856 120.300 -0.276 0.000 2.256 327 Y HA 0.023 4.571 4.550 -0.002 0.000 0.288 327 Y C 2.842 178.760 175.900 0.030 0.000 1.155 327 Y CA 0.691 58.651 58.100 -0.234 0.000 1.203 327 Y CB -0.335 37.997 38.460 -0.213 0.000 0.980 327 Y HN 0.143 nan 8.280 nan 0.000 0.530 328 M N -1.274 118.436 119.600 0.183 0.000 2.561 328 M HA 0.005 4.483 4.480 -0.002 0.000 0.238 328 M C 0.806 177.292 176.300 0.311 0.000 1.131 328 M CA 0.256 55.680 55.300 0.206 0.000 1.046 328 M CB -0.076 32.627 32.600 0.171 0.000 1.532 328 M HN -0.122 nan 8.290 nan 0.000 0.497 329 T N 2.200 116.965 114.554 0.352 0.000 2.916 329 T HA 0.073 4.422 4.350 -0.002 0.000 0.303 329 T C 0.124 174.993 174.700 0.282 0.000 1.025 329 T CA -0.079 62.256 62.100 0.393 0.000 1.142 329 T CB 0.242 69.409 68.868 0.498 0.000 0.947 329 T HN 0.212 nan 8.240 nan 0.000 0.544 330 N N 5.318 124.154 118.700 0.226 0.000 2.499 330 N HA 0.342 5.081 4.740 -0.002 0.000 0.281 330 N C -2.643 172.924 175.510 0.094 0.000 1.098 330 N CA -1.810 51.326 53.050 0.142 0.000 0.979 330 N CB 0.945 39.498 38.487 0.110 0.000 1.121 330 N HN 0.360 nan 8.380 nan 0.000 0.466 331 P HA 0.115 nan 4.420 nan 0.000 0.271 331 P C 0.430 177.721 177.300 -0.016 0.000 1.226 331 P CA -0.290 62.804 63.100 -0.010 0.000 0.765 331 P CB 0.651 32.334 31.700 -0.029 0.000 0.835 332 L N 2.194 123.403 121.223 -0.024 0.000 2.554 332 L HA -0.021 4.318 4.340 -0.002 0.000 0.226 332 L C 2.177 179.019 176.870 -0.048 0.000 1.137 332 L CA 1.056 55.912 54.840 0.026 0.000 0.863 332 L CB -1.920 40.242 42.059 0.171 0.000 0.985 332 L HN 0.382 nan 8.230 nan 0.000 0.451 333 S N 0.300 115.865 115.700 -0.224 0.000 2.460 333 S HA -0.208 4.260 4.470 -0.002 0.000 0.241 333 S C 1.391 175.939 174.600 -0.087 0.000 1.051 333 S CA 1.331 59.371 58.200 -0.266 0.000 1.223 333 S CB -0.227 62.831 63.200 -0.237 0.000 1.160 333 S HN 0.261 nan 8.310 nan 0.000 0.424 334 L N -0.364 120.828 121.223 -0.052 0.000 2.636 334 L HA 0.347 4.685 4.340 -0.002 0.000 0.163 334 L C 2.323 179.198 176.870 0.009 0.000 1.052 334 L CA 0.236 55.069 54.840 -0.012 0.000 1.170 334 L CB -0.997 41.059 42.059 -0.005 0.000 1.864 334 L HN 0.656 nan 8.230 nan 0.000 0.472 335 G N -1.698 107.112 108.800 0.016 0.000 2.587 335 G HA2 -0.392 3.566 3.960 -0.002 0.000 0.246 335 G HA3 -0.392 3.566 3.960 -0.002 0.000 0.246 335 G C 0.728 175.640 174.900 0.019 0.000 1.058 335 G CA 0.346 45.458 45.100 0.019 0.000 0.658 335 G HN 0.710 nan 8.290 nan 0.000 0.538 336 C N -0.405 118.911 119.300 0.026 0.000 4.588 336 C HA -0.158 4.301 4.460 -0.002 0.000 0.295 336 C C 1.519 176.525 174.990 0.027 0.000 1.316 336 C CA 0.896 59.930 59.018 0.027 0.000 2.041 336 C CB -2.474 25.276 27.740 0.016 0.000 1.224 336 C HN 0.815 nan 8.230 nan 0.000 0.779 337 D N -0.336 120.089 120.400 0.041 0.000 2.149 337 D HA 0.038 4.677 4.640 -0.002 0.000 0.201 337 D C 0.742 177.071 176.300 0.048 0.000 0.972 337 D CA 1.232 55.263 54.000 0.052 0.000 0.835 337 D CB 0.081 40.918 40.800 0.061 0.000 0.966 337 D HN 0.659 nan 8.370 nan 0.000 0.476 338 c N 1.908 120.523 118.600 0.025 0.000 2.258 338 c HA 0.360 4.929 4.570 -0.002 0.000 0.321 338 c C 0.094 174.110 174.090 -0.124 0.000 1.168 338 c CA -1.540 54.732 56.329 -0.097 0.000 1.531 338 c CB -0.408 42.037 42.510 -0.108 0.000 2.095 338 c HN 0.142 nan 8.230 nan 0.000 0.449 339 K N 2.781 123.097 120.400 -0.140 0.000 2.172 339 K HA 0.619 4.937 4.320 -0.002 0.000 0.276 339 K C 0.625 177.169 176.600 -0.092 0.000 1.013 339 K CA 0.737 56.979 56.287 -0.075 0.000 0.913 339 K CB 0.729 33.215 32.500 -0.023 0.000 1.055 339 K HN 1.051 nan 8.250 nan 0.000 0.461 340 G N 1.027 109.808 108.800 -0.031 0.000 2.447 340 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.220 340 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.220 340 G C -1.191 173.717 174.900 0.014 0.000 1.261 340 G CA -0.554 44.554 45.100 0.012 0.000 1.000 340 G HN 0.467 nan 8.290 nan 0.000 0.515 341 V N 2.107 122.057 119.914 0.060 0.000 2.370 341 V HA 0.362 4.480 4.120 -0.002 0.000 0.257 341 V C 0.637 176.783 176.094 0.087 0.000 1.064 341 V CA -0.249 62.090 62.300 0.064 0.000 0.975 341 V CB 0.145 32.011 31.823 0.071 0.000 1.067 341 V HN 0.543 nan 8.190 nan 0.000 0.485 342 I N 4.180 124.741 120.570 -0.015 0.000 2.498 342 I HA 0.462 4.630 4.170 -0.002 0.000 0.301 342 I C 0.026 176.047 176.117 -0.160 0.000 0.984 342 I CA -0.435 60.772 61.300 -0.155 0.000 1.204 342 I CB 1.431 39.133 38.000 -0.497 0.000 1.362 342 I HN 0.533 nan 8.210 nan 0.000 0.471 343 H N 5.496 124.421 119.070 -0.241 0.000 2.589 343 H HA 0.434 4.989 4.556 -0.002 0.000 0.335 343 H C -1.664 173.490 175.328 -0.290 0.000 1.019 343 H CA -0.324 55.654 56.048 -0.117 0.000 1.213 343 H CB 1.096 30.946 29.762 0.147 0.000 1.472 343 H HN 0.364 nan 8.280 nan 0.000 0.508 344 Y N 3.489 123.793 120.300 0.005 0.000 2.534 344 Y HA 0.466 5.015 4.550 -0.002 0.000 0.329 344 Y C 0.037 175.958 175.900 0.035 0.000 1.154 344 Y CA -0.800 57.317 58.100 0.030 0.000 1.192 344 Y CB 1.692 40.121 38.460 -0.052 0.000 1.275 344 Y HN 0.399 nan 8.280 nan 0.000 0.491 345 L N 1.892 123.214 121.223 0.165 0.000 2.401 345 L HA 0.452 4.791 4.340 -0.002 0.000 0.266 345 L C -1.243 175.546 176.870 -0.135 0.000 0.991 345 L CA -0.990 53.857 54.840 0.011 0.000 0.818 345 L CB 2.139 44.174 42.059 -0.040 0.000 1.321 345 L HN 0.578 nan 8.230 nan 0.000 0.413 346 D N 1.333 121.607 120.400 -0.210 0.000 2.268 346 D HA 0.665 5.304 4.640 -0.002 0.000 0.249 346 D C -0.420 175.489 176.300 -0.652 0.000 1.008 346 D CA -0.201 53.571 54.000 -0.380 0.000 0.939 346 D CB 2.360 42.970 40.800 -0.317 0.000 1.170 346 D HN 0.554 nan 8.370 nan 0.000 0.468 347 A N 1.241 123.583 122.820 -0.797 0.000 2.355 347 A HA 0.593 4.912 4.320 -0.002 0.000 0.324 347 A C -0.968 175.949 177.584 -1.111 0.000 1.117 347 A CA -0.663 50.834 52.037 -0.900 0.000 0.785 347 A CB 1.051 19.552 19.000 -0.831 0.000 1.254 347 A HN 0.556 nan 8.150 nan 0.000 0.453 348 H N 1.214 119.951 119.070 -0.554 0.000 2.609 348 H HA 0.643 5.198 4.556 -0.002 0.000 0.344 348 H C -1.402 173.711 175.328 -0.359 0.000 1.040 348 H CA -0.218 55.580 56.048 -0.416 0.000 1.216 348 H CB 1.253 30.926 29.762 -0.148 0.000 1.529 348 H HN 0.534 nan 8.280 nan 0.000 0.519 349 F N -0.091 120.018 119.950 0.265 0.000 2.764 349 F HA 0.476 5.002 4.527 -0.002 0.000 0.347 349 F C 0.725 176.629 175.800 0.174 0.000 1.151 349 F CA -1.081 57.074 58.000 0.259 0.000 1.021 349 F CB 1.018 40.271 39.000 0.422 0.000 1.438 349 F HN 0.323 nan 8.300 nan 0.000 0.516 350 S N -0.344 115.585 115.700 0.381 0.000 2.532 350 S HA 0.602 5.071 4.470 -0.002 0.000 0.301 350 S C -1.267 173.433 174.600 0.165 0.000 1.083 350 S CA -0.718 57.585 58.200 0.171 0.000 1.025 350 S CB 0.825 64.057 63.200 0.053 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.798 122.256 120.400 0.096 0.000 2.478 351 D HA 0.313 4.951 4.640 -0.002 0.000 0.263 351 D C 1.177 177.540 176.300 0.105 0.000 1.153 351 D CA -0.794 53.254 54.000 0.081 0.000 1.038 351 D CB 0.261 41.099 40.800 0.063 0.000 1.120 351 D HN 0.524 nan 8.370 nan 0.000 0.564 352 R N -0.507 120.047 120.500 0.091 0.000 2.117 352 R HA -0.177 4.162 4.340 -0.002 0.000 0.243 352 R C 1.682 178.107 176.300 0.207 0.000 1.143 352 R CA 1.600 57.776 56.100 0.126 0.000 0.968 352 R CB -0.586 29.750 30.300 0.060 0.000 0.863 352 R HN 0.567 nan 8.270 nan 0.000 0.444 353 A N -0.687 122.221 122.820 0.146 0.000 2.167 353 A HA 0.159 4.477 4.320 -0.002 0.000 0.214 353 A C 1.416 179.083 177.584 0.139 0.000 1.151 353 A CA 0.980 53.108 52.037 0.151 0.000 0.735 353 A CB -0.087 18.958 19.000 0.075 0.000 0.802 353 A HN 0.604 nan 8.150 nan 0.000 0.467 354 G N -0.874 107.938 108.800 0.020 0.000 2.159 354 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.227 354 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.227 354 G C -0.427 174.325 174.900 -0.248 0.000 0.986 354 G CA 0.123 44.969 45.100 -0.422 0.000 0.651 354 G HN 0.471 nan 8.290 nan 0.000 0.523 355 D N 1.302 121.648 120.400 -0.089 0.000 2.210 355 D HA 0.454 5.093 4.640 -0.002 0.000 0.249 355 D C -2.427 173.862 176.300 -0.018 0.000 1.062 355 D CA -1.234 52.735 54.000 -0.052 0.000 0.891 355 D CB 1.543 42.335 40.800 -0.014 0.000 1.186 355 D HN 0.037 nan 8.370 nan 0.000 0.432 356 P HA 0.131 nan 4.420 nan 0.000 0.268 356 P C -0.462 176.872 177.300 0.057 0.000 1.204 356 P CA 0.047 63.160 63.100 0.021 0.000 0.768 356 P CB 0.459 32.143 31.700 -0.026 0.000 0.842 357 I N -0.925 119.714 120.570 0.116 0.000 2.569 357 I HA 0.651 4.820 4.170 -0.002 0.000 0.296 357 I C -0.704 175.483 176.117 0.116 0.000 1.028 357 I CA -0.636 60.739 61.300 0.124 0.000 1.082 357 I CB 2.512 40.615 38.000 0.172 0.000 1.264 357 I HN 0.057 nan 8.210 nan 0.000 0.429 358 T N 4.343 118.949 114.554 0.087 0.000 2.863 358 T HA 0.445 4.794 4.350 -0.002 0.000 0.285 358 T C -0.769 173.910 174.700 -0.036 0.000 1.009 358 T CA -0.568 61.551 62.100 0.032 0.000 0.989 358 T CB 2.293 71.231 68.868 0.118 0.000 1.004 358 T HN 0.550 nan 8.240 nan 0.000 0.455 359 V N 4.574 124.395 119.914 -0.156 0.000 2.326 359 V HA 0.458 4.577 4.120 -0.002 0.000 0.281 359 V C -0.366 175.624 176.094 -0.172 0.000 1.015 359 V CA -0.746 61.501 62.300 -0.089 0.000 0.823 359 V CB 0.608 32.434 31.823 0.004 0.000 1.009 359 V HN 0.730 nan 8.190 nan 0.000 0.436 360 K N 4.816 125.142 120.400 -0.123 0.000 2.237 360 K HA 0.347 4.666 4.320 -0.002 0.000 0.270 360 K C 0.515 177.007 176.600 -0.180 0.000 1.015 360 K CA 0.030 56.225 56.287 -0.153 0.000 0.949 360 K CB 0.305 32.730 32.500 -0.125 0.000 0.976 360 K HN 0.875 nan 8.250 nan 0.000 0.472 361 N N 0.438 119.016 118.700 -0.204 0.000 2.725 361 N HA -0.263 4.476 4.740 -0.002 0.000 0.251 361 N C 0.378 175.842 175.510 -0.077 0.000 1.031 361 N CA 0.180 53.105 53.050 -0.207 0.000 0.720 361 N CB -0.686 37.452 38.487 -0.581 0.000 0.930 361 N HN 0.738 nan 8.380 nan 0.000 0.543 362 A N -0.491 122.244 122.820 -0.142 0.000 1.968 362 A HA 0.148 4.467 4.320 -0.002 0.000 0.217 362 A C 0.904 178.439 177.584 -0.081 0.000 1.169 362 A CA 1.100 53.034 52.037 -0.172 0.000 0.638 362 A CB 0.638 19.342 19.000 -0.494 0.000 0.812 362 A HN 0.174 nan 8.150 nan 0.000 0.446 363 V N -0.021 119.854 119.914 -0.064 0.000 2.487 363 V HA 0.396 4.515 4.120 -0.002 0.000 0.298 363 V C -0.213 175.964 176.094 0.138 0.000 1.028 363 V CA -0.847 61.482 62.300 0.049 0.000 0.860 363 V CB 0.976 32.797 31.823 -0.002 0.000 0.991 363 V HN 0.552 nan 8.190 nan 0.000 0.427 364 c N 5.927 124.601 118.600 0.123 0.000 2.411 364 c HA 0.884 5.453 4.570 -0.002 0.000 0.330 364 c C -0.537 173.561 174.090 0.014 0.000 1.224 364 c CA -0.633 55.697 56.329 0.001 0.000 1.770 364 c CB 0.025 42.523 42.510 -0.021 0.000 2.297 364 c HN 0.795 nan 8.230 nan 0.000 0.507 365 I N 5.968 126.503 120.570 -0.058 0.000 2.545 365 I HA 0.645 4.814 4.170 -0.002 0.000 0.292 365 I C -0.352 175.751 176.117 -0.023 0.000 1.040 365 I CA -0.123 61.113 61.300 -0.107 0.000 1.068 365 I CB 1.904 39.709 38.000 -0.324 0.000 1.251 365 I HN 0.988 nan 8.210 nan 0.000 0.424 366 H N 3.792 122.687 119.070 -0.292 0.000 2.935 366 H HA 0.423 4.978 4.556 -0.002 0.000 0.297 366 H C -2.048 173.210 175.328 -0.116 0.000 1.423 366 H CA -1.155 54.843 56.048 -0.084 0.000 1.161 366 H CB 1.082 30.849 29.762 0.008 0.000 1.841 366 H HN 0.634 nan 8.280 nan 0.000 0.506 367 E N 1.135 121.337 120.200 0.002 0.000 2.207 367 E HA 0.657 5.006 4.350 -0.002 0.000 0.270 367 E C -0.967 175.637 176.600 0.007 0.000 0.927 367 E CA -0.950 55.394 56.400 -0.094 0.000 0.799 367 E CB 2.760 32.553 29.700 0.154 0.000 1.172 367 E HN 0.639 nan 8.360 nan 0.000 0.404 368 E N 0.849 121.031 120.200 -0.029 0.000 2.416 368 E HA 0.161 4.509 4.350 -0.002 0.000 0.273 368 E C -1.316 175.318 176.600 0.057 0.000 0.935 368 E CA -0.950 55.474 56.400 0.040 0.000 0.784 368 E CB 1.964 31.673 29.700 0.015 0.000 1.301 368 E HN 0.554 nan 8.360 nan 0.000 0.454 369 D N 0.798 121.233 120.400 0.059 0.000 2.372 369 D HA -0.002 4.637 4.640 -0.002 0.000 0.243 369 D C -0.719 175.601 176.300 0.033 0.000 1.121 369 D CA 0.332 54.363 54.000 0.053 0.000 0.898 369 D CB 1.051 41.875 40.800 0.039 0.000 1.202 369 D HN 0.363 nan 8.370 nan 0.000 0.428 370 D N 1.692 122.113 120.400 0.034 0.000 2.895 370 D HA 0.321 4.959 4.640 -0.002 0.000 0.350 370 D C 0.516 176.820 176.300 0.008 0.000 1.389 370 D CA 0.415 54.426 54.000 0.018 0.000 0.812 370 D CB -0.103 40.718 40.800 0.035 0.000 1.164 370 D HN 0.726 nan 8.370 nan 0.000 0.455 371 G N 0.279 109.080 108.800 0.001 0.000 2.562 371 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.250 371 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.250 371 G C -0.352 174.534 174.900 -0.022 0.000 1.269 371 G CA -0.218 44.876 45.100 -0.009 0.000 0.919 371 G HN 0.320 nan 8.290 nan 0.000 0.574 372 L N 0.387 121.593 121.223 -0.028 0.000 2.371 372 L HA 0.417 4.756 4.340 -0.002 0.000 0.272 372 L C 1.717 178.541 176.870 -0.076 0.000 1.124 372 L CA -0.691 54.115 54.840 -0.057 0.000 0.816 372 L CB 1.189 43.231 42.059 -0.028 0.000 1.129 372 L HN 0.581 nan 8.230 nan 0.000 0.448 373 L N 3.859 124.959 121.223 -0.204 0.000 2.168 373 L HA 0.249 4.588 4.340 -0.002 0.000 0.203 373 L C -0.152 176.649 176.870 -0.116 0.000 1.078 373 L CA 1.321 56.016 54.840 -0.242 0.000 0.780 373 L CB 0.191 41.934 42.059 -0.528 0.000 0.939 373 L HN 0.574 nan 8.230 nan 0.000 0.451 374 F N -2.614 117.358 119.950 0.037 0.000 2.770 374 F HA 0.582 5.108 4.527 -0.002 0.000 0.313 374 F C -0.809 175.021 175.800 0.050 0.000 1.154 374 F CA -1.739 56.283 58.000 0.038 0.000 0.923 374 F CB 0.557 39.575 39.000 0.031 0.000 1.301 374 F HN -0.177 nan 8.300 nan 0.000 0.449 375 K N 0.783 121.394 120.400 0.353 0.000 2.578 375 K HA 0.601 4.920 4.320 -0.002 0.000 0.269 375 K C -2.564 174.194 176.600 0.264 0.000 0.941 375 K CA -0.828 55.613 56.287 0.257 0.000 0.847 375 K CB 2.348 34.924 32.500 0.127 0.000 1.397 375 K HN 1.117 nan 8.250 nan 0.000 0.422 376 H N 0.067 119.206 119.070 0.115 0.000 3.129 376 H HA 0.454 5.008 4.556 -0.002 0.000 0.342 376 H C -2.009 173.379 175.328 0.100 0.000 1.092 376 H CA -0.246 55.853 56.048 0.086 0.000 1.310 376 H CB 1.875 31.680 29.762 0.073 0.000 1.932 376 H HN 0.512 nan 8.280 nan 0.000 0.507 377 S N 3.357 118.700 115.700 -0.595 0.000 2.542 377 S HA 0.238 4.707 4.470 -0.002 0.000 0.293 377 S C -1.233 173.185 174.600 -0.304 0.000 1.089 377 S CA -0.916 57.111 58.200 -0.290 0.000 0.961 377 S CB 1.686 64.863 63.200 -0.038 0.000 1.062 377 S HN 0.664 nan 8.310 nan 0.000 0.483 378 D N 1.565 121.922 120.400 -0.073 0.000 2.280 378 D HA 0.222 4.860 4.640 -0.002 0.000 0.243 378 D C 0.843 177.136 176.300 -0.012 0.000 1.129 378 D CA -0.813 53.154 54.000 -0.055 0.000 0.848 378 D CB 0.588 41.314 40.800 -0.124 0.000 1.107 378 D HN 0.448 nan 8.370 nan 0.000 0.471 379 F N 3.636 123.614 119.950 0.047 0.000 2.365 379 F HA 0.063 4.589 4.527 -0.002 0.000 0.300 379 F C 1.830 177.480 175.800 -0.251 0.000 1.090 379 F CA 0.343 58.198 58.000 -0.242 0.000 1.408 379 F CB -0.347 38.616 39.000 -0.061 0.000 1.060 379 F HN 0.222 nan 8.300 nan 0.000 0.534 380 R N 0.962 120.904 120.500 -0.931 0.000 2.105 380 R HA -0.156 4.183 4.340 -0.002 0.000 0.239 380 R C 0.415 176.550 176.300 -0.275 0.000 1.135 380 R CA 1.648 57.387 56.100 -0.601 0.000 0.967 380 R CB -0.775 29.168 30.300 -0.594 0.000 0.861 380 R HN 0.537 nan 8.270 nan 0.000 0.442 381 D N -1.606 118.651 120.400 -0.238 0.000 2.772 381 D HA 0.018 4.657 4.640 -0.002 0.000 0.272 381 D C -0.550 175.652 176.300 -0.162 0.000 1.314 381 D CA -0.493 53.417 54.000 -0.150 0.000 0.835 381 D CB -0.794 39.949 40.800 -0.095 0.000 1.080 381 D HN 0.123 nan 8.370 nan 0.000 0.482 382 N N 1.073 119.597 118.700 -0.292 0.000 2.727 382 N HA -0.283 4.455 4.740 -0.002 0.000 0.249 382 N C -0.671 174.620 175.510 -0.364 0.000 1.048 382 N CA 0.307 53.083 53.050 -0.456 0.000 0.714 382 N CB -0.883 37.478 38.487 -0.211 0.000 0.959 382 N HN 0.220 nan 8.380 nan 0.000 0.544 383 F N -4.632 115.322 119.950 0.006 0.000 2.884 383 F HA -0.329 4.196 4.527 -0.002 0.000 0.294 383 F C 1.692 177.499 175.800 0.011 0.000 0.723 383 F CA 0.810 58.807 58.000 -0.005 0.000 1.294 383 F CB -2.198 36.806 39.000 0.006 0.000 1.551 383 F HN 0.309 nan 8.300 nan 0.000 0.363 384 A N -1.061 121.828 122.820 0.116 0.000 1.898 384 A HA -0.029 4.290 4.320 -0.002 0.000 0.216 384 A C 1.477 179.134 177.584 0.122 0.000 1.181 384 A CA 1.911 54.014 52.037 0.110 0.000 0.620 384 A CB -0.484 18.545 19.000 0.048 0.000 0.819 384 A HN 0.347 nan 8.150 nan 0.000 0.442 385 T N 1.034 115.629 114.554 0.070 0.000 2.738 385 T HA 0.441 4.790 4.350 -0.002 0.000 0.293 385 T C -0.260 174.487 174.700 0.077 0.000 0.913 385 T CA 0.588 62.717 62.100 0.047 0.000 1.103 385 T CB 0.163 69.030 68.868 -0.002 0.000 0.880 385 T HN 0.326 nan 8.240 nan 0.000 0.526 386 S N 3.553 119.318 115.700 0.108 0.000 2.537 386 S HA 0.708 5.177 4.470 -0.002 0.000 0.271 386 S C -1.814 172.870 174.600 0.140 0.000 1.148 386 S CA -0.881 57.401 58.200 0.136 0.000 0.868 386 S CB 1.130 64.465 63.200 0.224 0.000 1.115 386 S HN 0.660 nan 8.310 nan 0.000 0.461 387 L N 4.161 125.474 121.223 0.150 0.000 2.438 387 L HA 0.873 5.212 4.340 -0.002 0.000 0.270 387 L C -1.805 175.189 176.870 0.208 0.000 0.972 387 L CA -0.487 54.448 54.840 0.158 0.000 0.831 387 L CB 1.742 43.890 42.059 0.149 0.000 1.273 387 L HN 0.553 nan 8.230 nan 0.000 0.405 388 V N 2.906 122.937 119.914 0.196 0.000 2.577 388 V HA 0.598 4.717 4.120 -0.002 0.000 0.303 388 V C -0.472 175.656 176.094 0.056 0.000 1.042 388 V CA -0.406 61.979 62.300 0.140 0.000 0.872 388 V CB 2.097 33.999 31.823 0.131 0.000 0.998 388 V HN 0.782 nan 8.190 nan 0.000 0.423 389 T N 4.766 119.257 114.554 -0.104 0.000 2.840 389 T HA 0.488 4.836 4.350 -0.002 0.000 0.287 389 T C -0.153 174.358 174.700 -0.314 0.000 0.991 389 T CA -0.644 61.291 62.100 -0.275 0.000 0.964 389 T CB 1.238 69.731 68.868 -0.625 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.421 121.822 120.500 -0.165 0.000 2.531 390 R HA 0.708 5.047 4.340 -0.002 0.000 0.273 390 R C 0.070 176.300 176.300 -0.116 0.000 1.070 390 R CA -0.562 55.470 56.100 -0.114 0.000 1.112 390 R CB 0.850 31.125 30.300 -0.042 0.000 1.049 390 R HN 0.688 nan 8.270 nan 0.000 0.508 391 A N 1.037 123.817 122.820 -0.066 0.000 2.312 391 A HA 0.459 4.778 4.320 -0.002 0.000 0.328 391 A C -0.332 177.296 177.584 0.074 0.000 1.158 391 A CA -0.368 51.666 52.037 -0.005 0.000 0.821 391 A CB 1.692 20.697 19.000 0.008 0.000 1.170 391 A HN 0.581 nan 8.150 nan 0.000 0.490 392 T N 0.866 115.521 114.554 0.169 0.000 2.886 392 T HA 0.595 4.944 4.350 -0.002 0.000 0.292 392 T C -0.793 174.149 174.700 0.404 0.000 1.012 392 T CA -0.721 61.531 62.100 0.252 0.000 0.982 392 T CB 0.643 69.694 68.868 0.304 0.000 1.018 392 T HN 0.844 nan 8.240 nan 0.000 0.451 393 K N 3.890 124.415 120.400 0.209 0.000 2.267 393 K HA 0.674 4.993 4.320 -0.002 0.000 0.246 393 K C -1.149 175.238 176.600 -0.355 0.000 0.954 393 K CA -1.213 55.104 56.287 0.050 0.000 0.824 393 K CB 1.786 34.283 32.500 -0.004 0.000 1.167 393 K HN 0.412 nan 8.250 nan 0.000 0.431 394 L N 3.420 124.151 121.223 -0.819 0.000 2.287 394 L HA 0.397 4.736 4.340 -0.002 0.000 0.287 394 L C -1.306 175.287 176.870 -0.462 0.000 1.022 394 L CA -0.698 53.544 54.840 -0.997 0.000 0.814 394 L CB 1.544 42.567 42.059 -1.726 0.000 1.217 394 L HN 0.584 nan 8.230 nan 0.000 0.420 395 V N 5.975 125.614 119.914 -0.458 0.000 2.417 395 V HA 0.420 4.538 4.120 -0.002 0.000 0.291 395 V C -0.050 175.992 176.094 -0.086 0.000 1.024 395 V CA -0.684 61.483 62.300 -0.222 0.000 0.861 395 V CB 1.996 33.651 31.823 -0.279 0.000 0.985 395 V HN 0.508 nan 8.190 nan 0.000 0.436 396 V N 3.993 123.967 119.914 0.100 0.000 2.334 396 V HA 0.631 4.749 4.120 -0.002 0.000 0.281 396 V C 0.087 176.327 176.094 0.244 0.000 1.016 396 V CA -0.050 62.337 62.300 0.146 0.000 0.832 396 V CB 1.445 33.380 31.823 0.188 0.000 0.999 396 V HN 0.892 nan 8.190 nan 0.000 0.439 397 S N 4.250 120.055 115.700 0.175 0.000 2.632 397 S HA 0.874 5.343 4.470 -0.002 0.000 0.289 397 S C -1.067 173.588 174.600 0.091 0.000 1.115 397 S CA -0.570 57.678 58.200 0.079 0.000 0.889 397 S CB 2.161 65.337 63.200 -0.041 0.000 1.116 397 S HN 0.924 nan 8.310 nan 0.000 0.486 398 Q N 1.708 121.529 119.800 0.034 0.000 2.482 398 Q HA 0.710 5.049 4.340 -0.002 0.000 0.286 398 Q C -1.786 174.241 176.000 0.046 0.000 1.007 398 Q CA -0.945 54.941 55.803 0.140 0.000 0.801 398 Q CB 1.401 30.349 28.738 0.350 0.000 1.455 398 Q HN 0.630 nan 8.270 nan 0.000 0.398 399 I N 2.659 123.296 120.570 0.112 0.000 2.512 399 I HA 0.495 4.663 4.170 -0.002 0.000 0.287 399 I C -1.211 175.022 176.117 0.194 0.000 1.069 399 I CA -0.887 60.443 61.300 0.050 0.000 1.056 399 I CB 1.383 39.380 38.000 -0.004 0.000 1.229 399 I HN 0.691 nan 8.210 nan 0.000 0.429 400 F N 3.128 123.163 119.950 0.142 0.000 2.538 400 F HA 0.802 5.328 4.527 -0.002 0.000 0.325 400 F C -0.513 175.390 175.800 0.171 0.000 1.066 400 F CA -0.804 57.292 58.000 0.160 0.000 0.946 400 F CB 1.482 40.581 39.000 0.164 0.000 1.199 400 F HN 0.137 nan 8.300 nan 0.000 0.473 401 T N 2.300 117.087 114.554 0.388 0.000 2.779 401 T HA 0.675 5.024 4.350 -0.002 0.000 0.280 401 T C -0.396 174.477 174.700 0.287 0.000 0.987 401 T CA -0.438 61.803 62.100 0.236 0.000 0.966 401 T CB 1.217 70.166 68.868 0.135 0.000 0.933 401 T HN 0.910 nan 8.240 nan 0.000 0.442 402 A N 2.791 125.765 122.820 0.256 0.000 2.801 402 A HA 0.757 5.076 4.320 -0.002 0.000 0.344 402 A C 1.182 178.752 177.584 -0.025 0.000 1.322 402 A CA 0.073 52.183 52.037 0.122 0.000 0.913 402 A CB -0.987 18.197 19.000 0.306 0.000 1.140 402 A HN 1.477 nan 8.150 nan 0.000 0.487 403 A N 1.858 124.639 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.014 4.320 -0.002 0.000 0.331 403 A C 0.988 178.609 177.584 0.061 0.000 1.849 403 A CA 1.651 53.690 52.037 0.003 0.000 0.713 403 A CB -2.042 16.946 19.000 -0.020 0.000 1.393 403 A HN 1.493 nan 8.150 nan 0.000 0.393 407 Y N 0.247 120.213 120.300 -0.557 0.000 2.328 407 Y HA 0.368 4.917 4.550 -0.002 0.000 0.333 407 Y C 0.013 175.631 175.900 -0.469 0.000 0.958 407 Y CA -0.701 57.045 58.100 -0.590 0.000 1.167 407 Y CB 1.392 39.240 38.460 -1.019 0.000 1.151 407 Y HN 0.482 nan 8.280 nan 0.000 0.470 408 C N 5.849 125.045 119.300 -0.175 0.000 2.255 408 C HA 0.577 5.036 4.460 -0.002 0.000 0.326 408 C C -0.010 174.810 174.990 -0.283 0.000 1.258 408 C CA -1.175 57.716 59.018 -0.212 0.000 1.676 408 C CB -1.184 26.530 27.740 -0.043 0.000 2.314 408 C HN 0.634 nan 8.230 nan 0.000 0.509 409 L N 3.918 124.904 121.223 -0.396 0.000 2.296 409 L HA 0.523 4.862 4.340 -0.002 0.000 0.286 409 L C -1.058 175.487 176.870 -0.542 0.000 1.023 409 L CA -0.441 54.197 54.840 -0.336 0.000 0.812 409 L CB 0.673 42.680 42.059 -0.087 0.000 1.223 409 L HN 0.595 nan 8.230 nan 0.000 0.421 410 Y N 0.802 120.963 120.300 -0.231 0.000 2.332 410 Y HA 0.316 4.864 4.550 -0.002 0.000 0.326 410 Y C -0.861 174.860 175.900 -0.298 0.000 0.978 410 Y CA -0.735 57.273 58.100 -0.153 0.000 1.205 410 Y CB 1.102 39.496 38.460 -0.110 0.000 1.131 410 Y HN 0.462 nan 8.280 nan 0.000 0.462 411 W N 3.652 124.963 121.300 0.019 0.000 2.331 411 W HA 0.639 5.298 4.660 -0.002 0.000 0.306 411 W C -0.908 175.538 176.519 -0.122 0.000 1.162 411 W CA -0.745 56.537 57.345 -0.105 0.000 1.232 411 W CB 1.141 30.542 29.460 -0.098 0.000 1.235 411 W HN 0.140 nan 8.180 nan 0.000 0.479 412 V N 5.258 125.118 119.914 -0.090 0.000 2.409 412 V HA 0.411 4.530 4.120 -0.002 0.000 0.291 412 V C -0.578 175.341 176.094 -0.292 0.000 1.020 412 V CA -1.123 61.101 62.300 -0.126 0.000 0.848 412 V CB 0.667 32.421 31.823 -0.115 0.000 0.990 412 V HN 0.199 nan 8.190 nan 0.000 0.430 413 F N 4.615 124.434 119.950 -0.218 0.000 2.421 413 F HA 0.716 5.242 4.527 -0.002 0.000 0.337 413 F C 0.357 176.254 175.800 0.161 0.000 1.105 413 F CA -0.423 57.470 58.000 -0.180 0.000 1.049 413 F CB 1.658 40.435 39.000 -0.372 0.000 1.139 413 F HN 0.280 nan 8.300 nan 0.000 0.479 414 M N 2.061 121.986 119.600 0.541 0.000 2.662 414 M HA 0.317 4.796 4.480 -0.002 0.000 0.310 414 M C 0.552 177.269 176.300 0.695 0.000 1.204 414 M CA -0.626 55.017 55.300 0.571 0.000 0.891 414 M CB 2.132 34.908 32.600 0.294 0.000 1.732 414 M HN 0.572 nan 8.290 nan 0.000 0.467 415 Q N 0.792 120.874 119.800 0.470 0.000 2.515 415 Q HA -0.098 4.241 4.340 -0.002 0.000 0.212 415 Q C 0.193 176.292 176.000 0.166 0.000 0.970 415 Q CA 0.589 56.543 55.803 0.251 0.000 0.941 415 Q CB -0.068 28.740 28.738 0.116 0.000 0.998 415 Q HN 0.603 nan 8.270 nan 0.000 0.518 416 D N -1.629 118.886 120.400 0.191 0.000 2.363 416 D HA 0.078 4.717 4.640 -0.002 0.000 0.214 416 D C 1.111 177.445 176.300 0.057 0.000 1.093 416 D CA 0.526 54.580 54.000 0.090 0.000 0.837 416 D CB 0.371 41.237 40.800 0.111 0.000 0.948 416 D HN 0.193 nan 8.370 nan 0.000 0.507 417 G N -0.086 108.829 108.800 0.192 0.000 2.176 417 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.253 417 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.253 417 G C 0.524 175.771 174.900 0.577 0.000 0.979 417 G CA 0.148 45.408 45.100 0.267 0.000 0.641 417 G HN 0.818 nan 8.290 nan 0.000 0.530 418 A N -0.248 122.813 122.820 0.402 0.000 2.304 418 A HA 0.797 5.116 4.320 -0.002 0.000 0.271 418 A C 0.174 177.900 177.584 0.237 0.000 1.091 418 A CA -0.023 52.195 52.037 0.301 0.000 0.812 418 A CB 0.547 19.631 19.000 0.138 0.000 1.056 418 A HN 0.805 nan 8.150 nan 0.000 0.489 419 I N 0.908 121.532 120.570 0.090 0.000 2.466 419 I HA 0.465 4.634 4.170 -0.002 0.000 0.289 419 I C 0.146 176.153 176.117 -0.183 0.000 1.026 419 I CA -0.333 60.823 61.300 -0.241 0.000 1.078 419 I CB 1.892 39.674 38.000 -0.363 0.000 1.249 419 I HN 0.778 nan 8.210 nan 0.000 0.429 420 R N 6.152 126.503 120.500 -0.249 0.000 2.740 420 R HA 0.662 5.001 4.340 -0.002 0.000 0.282 420 R C -1.824 174.302 176.300 -0.289 0.000 0.969 420 R CA -0.725 55.246 56.100 -0.215 0.000 0.918 420 R CB 2.211 32.418 30.300 -0.155 0.000 1.175 420 R HN 0.582 nan 8.270 nan 0.000 0.464 421 L N 3.860 124.863 121.223 -0.367 0.000 2.319 421 L HA 0.461 4.800 4.340 -0.002 0.000 0.281 421 L C -1.492 175.134 176.870 -0.407 0.000 1.005 421 L CA -0.630 53.873 54.840 -0.562 0.000 0.828 421 L CB 1.641 43.220 42.059 -0.800 0.000 1.227 421 L HN 0.710 nan 8.230 nan 0.000 0.415 422 D N 6.118 126.337 120.400 -0.302 0.000 2.256 422 D HA 0.552 5.191 4.640 -0.002 0.000 0.246 422 D C -0.431 175.828 176.300 -0.068 0.000 1.042 422 D CA -0.036 53.866 54.000 -0.163 0.000 0.841 422 D CB 2.878 43.597 40.800 -0.134 0.000 1.223 422 D HN 0.358 nan 8.370 nan 0.000 0.470 423 I N 1.540 122.064 120.570 -0.077 0.000 2.545 423 I HA 0.368 4.536 4.170 -0.002 0.000 0.292 423 I C -0.054 176.054 176.117 -0.015 0.000 1.040 423 I CA -0.747 60.518 61.300 -0.059 0.000 1.068 423 I CB 2.113 39.981 38.000 -0.219 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.430 126.953 120.500 0.038 0.000 2.439 424 R HA 0.619 4.958 4.340 -0.002 0.000 0.310 424 R C -1.319 174.914 176.300 -0.112 0.000 0.955 424 R CA -0.832 55.258 56.100 -0.018 0.000 0.853 424 R CB 2.160 32.490 30.300 0.050 0.000 1.171 424 R HN 0.493 nan 8.270 nan 0.000 0.449 425 L N 2.092 123.201 121.223 -0.189 0.000 2.289 425 L HA 0.511 4.850 4.340 -0.002 0.000 0.285 425 L C 0.617 177.322 176.870 -0.276 0.000 1.049 425 L CA -0.230 54.407 54.840 -0.339 0.000 0.804 425 L CB 1.628 43.426 42.059 -0.436 0.000 1.195 425 L HN 0.655 nan 8.230 nan 0.000 0.428 426 T N 0.913 115.283 114.554 -0.306 0.000 2.598 426 T HA 0.816 5.165 4.350 -0.002 0.000 0.289 426 T C -0.096 174.460 174.700 -0.241 0.000 1.056 426 T CA 0.408 62.372 62.100 -0.226 0.000 1.088 426 T CB 1.455 70.213 68.868 -0.183 0.000 1.519 426 T HN 1.011 nan 8.240 nan 0.000 0.488 427 G N 0.309 108.976 108.800 -0.221 0.000 2.466 427 G HA2 -0.023 3.935 3.960 -0.002 0.000 0.218 427 G HA3 -0.023 3.935 3.960 -0.002 0.000 0.218 427 G C -1.084 173.683 174.900 -0.222 0.000 1.237 427 G CA -0.196 44.772 45.100 -0.220 0.000 0.954 427 G HN 0.933 nan 8.290 nan 0.000 0.580 428 I N 0.859 121.295 120.570 -0.224 0.000 2.569 428 I HA 0.454 4.623 4.170 -0.002 0.000 0.296 428 I C 0.713 176.736 176.117 -0.156 0.000 1.028 428 I CA -0.888 60.271 61.300 -0.235 0.000 1.082 428 I CB 1.800 39.549 38.000 -0.419 0.000 1.264 428 I HN 0.504 nan 8.210 nan 0.000 0.429 429 L N 4.721 125.959 121.223 0.025 0.000 2.483 429 L HA 0.038 4.377 4.340 -0.002 0.000 0.276 429 L C 0.854 177.753 176.870 0.048 0.000 1.213 429 L CA 0.225 55.133 54.840 0.114 0.000 0.843 429 L CB -0.010 42.179 42.059 0.217 0.000 1.107 429 L HN 0.661 nan 8.230 nan 0.000 0.487 430 N N 1.653 120.416 118.700 0.106 0.000 2.497 430 N HA 0.110 4.849 4.740 -0.002 0.000 0.271 430 N C -0.801 174.786 175.510 0.128 0.000 1.142 430 N CA -0.152 52.980 53.050 0.136 0.000 0.965 430 N CB 0.985 39.563 38.487 0.151 0.000 1.077 430 N HN 0.693 nan 8.380 nan 0.000 0.462 431 T N 0.669 115.356 114.554 0.222 0.000 2.906 431 T HA 0.437 4.785 4.350 -0.002 0.000 0.295 431 T C -1.088 173.690 174.700 0.131 0.000 1.061 431 T CA -0.735 61.452 62.100 0.145 0.000 1.000 431 T CB 1.584 70.592 68.868 0.234 0.000 1.103 431 T HN 0.487 nan 8.240 nan 0.000 0.486 432 Y N 1.276 121.440 120.300 -0.227 0.000 2.576 432 Y HA 0.682 5.231 4.550 -0.002 0.000 0.346 432 Y C -0.576 175.224 175.900 -0.165 0.000 1.018 432 Y CA -2.198 55.748 58.100 -0.256 0.000 1.050 432 Y CB 1.519 39.714 38.460 -0.442 0.000 1.280 432 Y HN 1.003 nan 8.280 nan 0.000 0.474 433 I N 4.463 124.420 120.570 -1.020 0.000 2.696 433 I HA 0.262 4.431 4.170 -0.002 0.000 0.284 433 I C -1.325 174.519 176.117 -0.456 0.000 1.129 433 I CA -0.312 60.599 61.300 -0.649 0.000 1.410 433 I CB 0.582 38.216 38.000 -0.609 0.000 1.399 433 I HN 0.610 nan 8.210 nan 0.000 0.579 434 L N 7.065 128.150 121.223 -0.230 0.000 2.409 434 L HA 0.634 4.972 4.340 -0.002 0.000 0.272 434 L C -0.001 176.821 176.870 -0.080 0.000 0.980 434 L CA -0.113 54.663 54.840 -0.106 0.000 0.826 434 L CB 1.572 43.587 42.059 -0.074 0.000 1.268 434 L HN 0.628 nan 8.230 nan 0.000 0.407 435 G N 2.392 111.170 108.800 -0.036 0.000 2.594 435 G HA2 0.110 4.069 3.960 -0.002 0.000 0.243 435 G HA3 0.110 4.069 3.960 -0.002 0.000 0.243 435 G C 0.361 175.249 174.900 -0.020 0.000 1.229 435 G CA -0.164 44.923 45.100 -0.023 0.000 0.843 435 G HN 0.802 nan 8.290 nan 0.000 0.578 436 D N 0.253 120.646 120.400 -0.012 0.000 2.149 436 D HA -0.149 4.490 4.640 -0.002 0.000 0.198 436 D C 1.816 178.111 176.300 -0.010 0.000 0.990 436 D CA 1.662 55.657 54.000 -0.007 0.000 0.839 436 D CB 0.131 40.935 40.800 0.007 0.000 0.948 436 D HN 0.669 nan 8.370 nan 0.000 0.460 437 D N 0.243 120.642 120.400 -0.003 0.000 2.350 437 D HA -0.058 4.581 4.640 -0.002 0.000 0.213 437 D C 0.595 176.898 176.300 0.005 0.000 1.031 437 D CA -0.026 53.974 54.000 -0.000 0.000 0.861 437 D CB -0.137 40.666 40.800 0.004 0.000 0.926 437 D HN 0.178 nan 8.370 nan 0.000 0.520 438 E N 0.942 121.147 120.200 0.009 0.000 2.338 438 E HA 0.076 4.425 4.350 -0.002 0.000 0.272 438 E C -0.620 175.991 176.600 0.018 0.000 1.029 438 E CA -0.393 56.021 56.400 0.025 0.000 0.872 438 E CB 0.846 30.570 29.700 0.040 0.000 1.015 438 E HN -0.035 nan 8.360 nan 0.000 0.417 439 E N 2.843 123.058 120.200 0.025 0.000 2.200 439 E HA 0.220 4.568 4.350 -0.002 0.000 0.283 439 E C -0.162 176.458 176.600 0.033 0.000 1.015 439 E CA -0.049 56.357 56.400 0.010 0.000 0.819 439 E CB 1.373 31.068 29.700 -0.009 0.000 1.081 439 E HN 0.519 nan 8.360 nan 0.000 0.397 440 A N 4.344 127.181 122.820 0.028 0.000 2.259 440 A HA 0.237 4.555 4.320 -0.002 0.000 0.212 440 A C 1.362 178.976 177.584 0.049 0.000 1.178 440 A CA 0.844 52.924 52.037 0.073 0.000 0.734 440 A CB -1.514 17.520 19.000 0.057 0.000 0.774 440 A HN 1.069 nan 8.150 nan 0.000 0.481 441 G N 0.104 108.885 108.800 -0.033 0.000 2.581 441 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.289 441 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.289 441 G C -0.811 173.922 174.900 -0.278 0.000 1.303 441 G CA 0.268 45.261 45.100 -0.179 0.000 0.931 441 G HN 0.404 nan 8.290 nan 0.000 0.555 442 P HA 0.096 nan 4.420 nan 0.000 0.251 442 P C 1.102 178.219 177.300 -0.305 0.000 1.223 442 P CA 1.249 64.020 63.100 -0.550 0.000 0.796 442 P CB -0.064 31.148 31.700 -0.813 0.000 1.068 443 W N 0.765 122.119 121.300 0.090 0.000 2.905 443 W HA 0.340 4.999 4.660 -0.001 0.000 0.251 443 W C 1.093 177.719 176.519 0.179 0.000 1.305 443 W CA -0.074 57.333 57.345 0.103 0.000 1.465 443 W CB 0.221 29.693 29.460 0.020 0.000 1.122 443 W HN -0.001 nan 8.180 nan 0.000 0.659 444 G N -0.655 108.349 108.800 0.340 0.000 2.606 444 G HA2 0.513 4.471 3.960 -0.002 0.000 0.300 444 G HA3 0.513 4.471 3.960 -0.002 0.000 0.300 444 G C -1.475 173.529 174.900 0.174 0.000 1.360 444 G CA -0.641 44.649 45.100 0.318 0.000 0.783 444 G HN -0.294 nan 8.290 nan 0.000 0.484 445 T N 0.026 114.655 114.554 0.125 0.000 2.861 445 T HA 0.478 4.827 4.350 -0.002 0.000 0.287 445 T C -0.071 174.631 174.700 0.003 0.000 1.003 445 T CA -0.622 61.513 62.100 0.059 0.000 0.977 445 T CB 1.925 70.832 68.868 0.065 0.000 0.996 445 T HN 0.567 nan 8.240 nan 0.000 0.448 446 R N 2.829 123.320 120.500 -0.016 0.000 2.325 446 R HA 0.289 4.628 4.340 -0.002 0.000 0.323 446 R C 1.046 177.307 176.300 -0.066 0.000 1.177 446 R CA -0.216 55.850 56.100 -0.057 0.000 1.018 446 R CB -0.280 29.987 30.300 -0.055 0.000 1.070 446 R HN 0.578 nan 8.270 nan 0.000 0.495 447 V N 2.094 121.934 119.914 -0.123 0.000 3.649 447 V HA 0.263 4.382 4.120 -0.002 0.000 0.275 447 V C -0.223 175.849 176.094 -0.037 0.000 1.281 447 V CA 0.072 62.305 62.300 -0.112 0.000 1.143 447 V CB -0.951 30.730 31.823 -0.237 0.000 0.892 447 V HN 0.677 nan 8.190 nan 0.000 0.441 448 Y N -0.904 119.243 120.300 -0.255 0.000 2.687 448 Y HA 0.556 5.105 4.550 -0.002 0.000 0.338 448 Y C -3.165 172.603 175.900 -0.220 0.000 1.189 448 Y CA -2.241 55.756 58.100 -0.173 0.000 1.097 448 Y CB 1.554 39.935 38.460 -0.131 0.000 1.342 448 Y HN -0.125 nan 8.280 nan 0.000 0.461 449 P HA 0.103 nan 4.420 nan 0.000 0.262 449 P C -0.548 176.504 177.300 -0.413 0.000 1.182 449 P CA 1.190 63.881 63.100 -0.681 0.000 0.761 449 P CB 0.291 31.210 31.700 -1.302 0.000 0.795 450 N N -0.320 118.235 118.700 -0.242 0.000 2.753 450 N HA -0.134 4.605 4.740 -0.002 0.000 0.251 450 N C -0.815 174.605 175.510 -0.149 0.000 1.097 450 N CA 0.760 53.719 53.050 -0.153 0.000 0.786 450 N CB -1.470 36.948 38.487 -0.115 0.000 1.137 450 N HN 0.174 nan 8.380 nan 0.000 0.566 451 V N 1.181 121.010 119.914 -0.141 0.000 2.444 451 V HA 0.313 4.432 4.120 -0.002 0.000 0.294 451 V C 0.266 176.263 176.094 -0.163 0.000 1.022 451 V CA -0.799 61.409 62.300 -0.154 0.000 0.850 451 V CB 1.995 33.701 31.823 -0.195 0.000 0.992 451 V HN 0.197 nan 8.190 nan 0.000 0.426 452 N N 3.230 121.841 118.700 -0.148 0.000 2.476 452 N HA 0.632 5.371 4.740 -0.002 0.000 0.257 452 N C -0.347 175.059 175.510 -0.172 0.000 0.970 452 N CA -0.434 52.549 53.050 -0.112 0.000 0.938 452 N CB 1.215 39.676 38.487 -0.043 0.000 1.144 452 N HN 0.831 nan 8.380 nan 0.000 0.500 453 A N 3.607 126.371 122.820 -0.092 0.000 2.294 453 A HA 0.247 4.566 4.320 -0.002 0.000 0.316 453 A C -0.575 177.086 177.584 0.130 0.000 1.359 453 A CA -0.429 51.593 52.037 -0.025 0.000 0.956 453 A CB -0.161 18.829 19.000 -0.016 0.000 1.155 453 A HN 0.840 nan 8.150 nan 0.000 0.544 454 H N 2.144 121.343 119.070 0.215 0.000 2.790 454 H HA 0.055 4.610 4.556 -0.002 0.000 0.358 454 H C 0.229 175.765 175.328 0.346 0.000 1.103 454 H CA -0.382 55.843 56.048 0.296 0.000 1.426 454 H CB 0.683 30.643 29.762 0.330 0.000 1.424 454 H HN 0.658 nan 8.280 nan 0.000 0.599 455 N N 2.855 121.780 118.700 0.376 0.000 2.453 455 N HA 0.024 4.763 4.740 -0.002 0.000 0.253 455 N C -0.140 175.334 175.510 -0.061 0.000 1.252 455 N CA 0.350 53.455 53.050 0.090 0.000 0.917 455 N CB 0.517 39.095 38.487 0.152 0.000 1.117 455 N HN 0.703 nan 8.380 nan 0.000 0.442 456 H N -1.977 116.802 119.070 -0.484 0.000 2.987 456 H HA 0.328 4.882 4.556 -0.002 0.000 0.316 456 H C -1.405 173.607 175.328 -0.526 0.000 1.380 456 H CA -0.764 54.854 56.048 -0.717 0.000 1.160 456 H CB 0.882 29.653 29.762 -1.651 0.000 1.865 456 H HN 0.411 nan 8.280 nan 0.000 0.521 457 Q N 0.487 120.033 119.800 -0.423 0.000 2.351 457 Q HA 0.387 4.725 4.340 -0.002 0.000 0.273 457 Q C -0.824 174.995 176.000 -0.302 0.000 1.077 457 Q CA -1.000 54.621 55.803 -0.304 0.000 0.843 457 Q CB 2.507 31.129 28.738 -0.194 0.000 1.367 457 Q HN 0.518 nan 8.270 nan 0.000 0.449 458 H N 1.657 120.687 119.070 -0.067 0.000 2.762 458 H HA 0.404 4.958 4.556 -0.002 0.000 0.310 458 H C -1.007 174.186 175.328 -0.225 0.000 1.004 458 H CA -0.207 55.787 56.048 -0.090 0.000 1.267 458 H CB 0.694 30.526 29.762 0.117 0.000 1.437 458 H HN 0.363 nan 8.280 nan 0.000 0.498 459 L N 3.933 124.979 121.223 -0.295 0.000 2.346 459 L HA 0.473 4.812 4.340 -0.002 0.000 0.276 459 L C -0.791 175.827 176.870 -0.420 0.000 1.006 459 L CA -0.784 53.927 54.840 -0.216 0.000 0.817 459 L CB 1.374 43.397 42.059 -0.061 0.000 1.272 459 L HN 0.295 nan 8.230 nan 0.000 0.421 460 F N 0.012 119.813 119.950 -0.250 0.000 2.561 460 F HA 0.459 4.984 4.527 -0.002 0.000 0.321 460 F C 0.318 175.973 175.800 -0.241 0.000 1.065 460 F CA -0.835 56.958 58.000 -0.346 0.000 0.934 460 F CB 2.140 40.686 39.000 -0.756 0.000 1.215 460 F HN 0.228 nan 8.300 nan 0.000 0.471 461 S N 3.175 118.781 115.700 -0.157 0.000 2.601 461 S HA 0.426 4.895 4.470 -0.002 0.000 0.312 461 S C -0.897 173.764 174.600 0.102 0.000 1.107 461 S CA -0.582 57.510 58.200 -0.180 0.000 1.129 461 S CB 0.028 62.681 63.200 -0.910 0.000 0.982 461 S HN 0.641 nan 8.310 nan 0.000 0.469 462 L N 5.814 127.220 121.223 0.306 0.000 2.361 462 L HA 0.447 4.785 4.340 -0.002 0.000 0.278 462 L C 0.290 177.196 176.870 0.060 0.000 1.113 462 L CA -0.249 54.745 54.840 0.257 0.000 0.849 462 L CB 0.521 42.762 42.059 0.303 0.000 1.155 462 L HN 0.661 nan 8.230 nan 0.000 0.452 463 R N 6.359 126.789 120.500 -0.118 0.000 2.265 463 R HA 0.522 4.861 4.340 -0.002 0.000 0.328 463 R C -1.199 174.870 176.300 -0.386 0.000 0.969 463 R CA -0.526 55.270 56.100 -0.506 0.000 0.832 463 R CB 0.804 30.770 30.300 -0.556 0.000 1.139 463 R HN 0.636 nan 8.270 nan 0.000 0.457 464 I N 3.638 123.984 120.570 -0.373 0.000 2.362 464 I HA 0.173 4.342 4.170 -0.002 0.000 0.289 464 I C -0.597 175.401 176.117 -0.198 0.000 0.994 464 I CA -0.725 60.379 61.300 -0.327 0.000 1.158 464 I CB 1.852 39.627 38.000 -0.374 0.000 1.315 464 I HN 0.517 nan 8.210 nan 0.000 0.451 465 D N 9.643 129.960 120.400 -0.139 0.000 2.473 465 D HA 0.319 4.958 4.640 -0.002 0.000 0.226 465 D C -2.519 173.836 176.300 0.092 0.000 1.089 465 D CA -2.048 51.954 54.000 0.004 0.000 0.883 465 D CB 1.427 42.261 40.800 0.058 0.000 1.029 465 D HN 0.155 nan 8.370 nan 0.000 0.517 466 P HA 0.337 nan 4.420 nan 0.000 0.279 466 P C -0.465 176.909 177.300 0.124 0.000 1.252 466 P CA -0.591 62.656 63.100 0.245 0.000 0.811 466 P CB 1.389 33.222 31.700 0.222 0.000 1.035 467 R N 1.847 122.402 120.500 0.092 0.000 2.533 467 R HA 0.243 4.582 4.340 -0.002 0.000 0.268 467 R C -0.230 176.080 176.300 0.017 0.000 1.303 467 R CA -0.342 55.782 56.100 0.041 0.000 1.429 467 R CB -0.216 30.120 30.300 0.061 0.000 1.361 467 R HN 0.278 nan 8.270 nan 0.000 0.745 468 I N 2.665 123.248 120.570 0.023 0.000 2.792 468 I HA -0.051 4.118 4.170 -0.002 0.000 0.284 468 I C 0.544 176.762 176.117 0.169 0.000 1.166 468 I CA 1.022 62.370 61.300 0.081 0.000 1.375 468 I CB -0.427 37.663 38.000 0.149 0.000 1.421 468 I HN 0.631 nan 8.210 nan 0.000 0.544 469 D N 4.929 125.483 120.400 0.256 0.000 2.811 469 D HA -0.150 4.489 4.640 -0.002 0.000 0.231 469 D C 0.553 176.881 176.300 0.046 0.000 1.157 469 D CA 1.662 55.738 54.000 0.127 0.000 0.716 469 D CB -0.691 40.084 40.800 -0.041 0.000 1.077 469 D HN 1.204 nan 8.370 nan 0.000 0.428 470 G N -1.037 107.795 108.800 0.053 0.000 2.373 470 G HA2 0.004 3.963 3.960 -0.002 0.000 0.634 470 G HA3 0.004 3.963 3.960 -0.002 0.000 0.634 470 G C -1.168 173.740 174.900 0.013 0.000 1.267 470 G CA -0.271 44.844 45.100 0.025 0.000 1.008 470 G HN 0.195 nan 8.290 nan 0.000 0.497 471 D N 0.650 121.048 120.400 -0.004 0.000 2.264 471 D HA 0.528 5.167 4.640 -0.002 0.000 0.249 471 D C 0.814 177.103 176.300 -0.018 0.000 1.070 471 D CA 1.386 55.374 54.000 -0.019 0.000 0.912 471 D CB 1.267 42.049 40.800 -0.030 0.000 1.193 471 D HN 2.035 nan 8.370 nan 0.000 0.427 472 G N 1.520 110.304 108.800 -0.026 0.000 2.830 472 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.298 472 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.298 472 G C -0.699 174.172 174.900 -0.048 0.000 1.031 472 G CA -0.789 44.294 45.100 -0.028 0.000 1.179 472 G HN 0.415 nan 8.290 nan 0.000 0.527 473 N N -0.340 118.322 118.700 -0.064 0.000 2.453 473 N HA 0.880 5.619 4.740 -0.002 0.000 0.290 473 N C -0.149 175.234 175.510 -0.212 0.000 1.250 473 N CA -0.351 52.622 53.050 -0.127 0.000 0.815 473 N CB 2.172 40.629 38.487 -0.050 0.000 1.381 473 N HN 0.448 nan 8.380 nan 0.000 0.510 474 S N -0.671 114.748 115.700 -0.467 0.000 2.651 474 S HA 0.929 5.397 4.470 -0.002 0.000 0.279 474 S C -1.198 173.156 174.600 -0.410 0.000 1.148 474 S CA -0.703 57.186 58.200 -0.519 0.000 0.837 474 S CB 2.047 64.721 63.200 -0.875 0.000 1.138 474 S HN 0.712 nan 8.310 nan 0.000 0.478 475 A N 0.261 123.061 122.820 -0.033 0.000 2.469 475 A HA 1.009 5.328 4.320 -0.002 0.000 0.299 475 A C -0.964 176.613 177.584 -0.012 0.000 1.098 475 A CA -0.536 51.652 52.037 0.251 0.000 0.737 475 A CB 1.542 20.889 19.000 0.578 0.000 1.312 475 A HN 1.433 nan 8.150 nan 0.000 0.414 476 A N -0.301 122.462 122.820 -0.095 0.000 2.610 476 A HA 0.885 5.204 4.320 -0.002 0.000 0.291 476 A C -0.479 176.948 177.584 -0.262 0.000 1.086 476 A CA 0.029 51.723 52.037 -0.572 0.000 0.677 476 A CB 0.916 19.861 19.000 -0.091 0.000 1.278 476 A HN 2.479 nan 8.150 nan 0.000 0.414 477 A N -0.188 122.465 122.820 -0.278 0.000 2.312 477 A HA 0.625 4.944 4.320 -0.002 0.000 0.326 477 A C -0.434 177.071 177.584 -0.132 0.000 1.172 477 A CA -0.359 51.630 52.037 -0.080 0.000 0.821 477 A CB 0.317 19.405 19.000 0.147 0.000 1.166 477 A HN 1.307 nan 8.150 nan 0.000 0.493 478 C N 2.310 121.494 119.300 -0.192 0.000 2.322 478 C HA 0.615 5.074 4.460 -0.002 0.000 0.324 478 C C -0.856 174.033 174.990 -0.169 0.000 1.249 478 C CA -0.887 58.050 59.018 -0.136 0.000 1.453 478 C CB 0.324 28.011 27.740 -0.089 0.000 2.145 478 C HN 0.788 nan 8.230 nan 0.000 0.466 479 D N 2.189 122.500 120.400 -0.149 0.000 2.391 479 D HA 0.503 5.142 4.640 -0.002 0.000 0.245 479 D C -0.224 175.957 176.300 -0.198 0.000 1.069 479 D CA 0.125 54.022 54.000 -0.171 0.000 0.831 479 D CB 2.158 42.867 40.800 -0.152 0.000 1.204 479 D HN 0.683 nan 8.370 nan 0.000 0.503 480 A N 2.935 125.647 122.820 -0.180 0.000 2.409 480 A HA 0.452 4.771 4.320 -0.002 0.000 0.262 480 A C 0.109 177.549 177.584 -0.240 0.000 1.113 480 A CA 0.034 51.957 52.037 -0.189 0.000 0.790 480 A CB 0.387 19.286 19.000 -0.167 0.000 1.046 480 A HN 0.475 nan 8.150 nan 0.000 0.496 481 K N 1.512 121.723 120.400 -0.316 0.000 2.527 481 K HA 0.446 4.764 4.320 -0.002 0.000 0.260 481 K C -0.755 175.812 176.600 -0.055 0.000 0.937 481 K CA -0.618 55.521 56.287 -0.247 0.000 0.826 481 K CB 2.250 34.547 32.500 -0.338 0.000 1.359 481 K HN 0.618 nan 8.250 nan 0.000 0.434 482 S N 0.801 116.543 115.700 0.070 0.000 2.585 482 S HA 0.065 4.534 4.470 -0.002 0.000 0.273 482 S C 0.198 174.995 174.600 0.328 0.000 1.339 482 S CA -0.444 57.883 58.200 0.210 0.000 1.028 482 S CB 1.222 64.502 63.200 0.133 0.000 0.906 482 S HN 0.593 nan 8.310 nan 0.000 0.528 483 S N 2.617 118.537 115.700 0.367 0.000 2.563 483 S HA 0.088 4.557 4.470 -0.002 0.000 0.284 483 S C -1.179 173.555 174.600 0.223 0.000 1.331 483 S CA -1.036 57.366 58.200 0.337 0.000 1.047 483 S CB 0.298 63.658 63.200 0.266 0.000 0.859 483 S HN 0.569 nan 8.310 nan 0.000 0.514 484 P HA 0.008 nan 4.420 nan 0.000 0.229 484 P C -0.257 176.971 177.300 -0.120 0.000 1.160 484 P CA 0.513 63.596 63.100 -0.027 0.000 0.777 484 P CB -0.096 31.526 31.700 -0.130 0.000 0.814 485 Y N 2.949 123.270 120.300 0.035 0.000 2.425 485 Y HA 0.153 4.702 4.550 -0.002 0.000 0.331 485 Y C -1.243 174.673 175.900 0.027 0.000 1.157 485 Y CA -2.123 55.989 58.100 0.020 0.000 1.372 485 Y CB -0.387 38.077 38.460 0.007 0.000 1.253 485 Y HN 0.052 nan 8.280 nan 0.000 0.536 486 P HA 0.019 nan 4.420 nan 0.000 0.274 486 P C -0.408 176.942 177.300 0.082 0.000 1.246 486 P CA -0.491 62.661 63.100 0.088 0.000 0.795 486 P CB 1.209 32.941 31.700 0.053 0.000 1.006 487 L N 0.935 122.191 121.223 0.054 0.000 2.525 487 L HA 0.099 4.438 4.340 -0.002 0.000 0.278 487 L C 1.490 178.358 176.870 -0.004 0.000 1.218 487 L CA 1.930 56.788 54.840 0.029 0.000 0.878 487 L CB -0.621 41.454 42.059 0.026 0.000 1.127 487 L HN 0.914 nan 8.230 nan 0.000 0.492 488 G N 2.495 111.263 108.800 -0.054 0.000 2.195 488 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.246 488 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.246 488 G C 0.284 175.150 174.900 -0.056 0.000 0.984 488 G CA 0.345 45.396 45.100 -0.081 0.000 0.633 488 G HN 0.937 nan 8.290 nan 0.000 0.525 489 S N 0.334 116.026 115.700 -0.014 0.000 2.617 489 S HA 0.627 5.096 4.470 -0.002 0.000 0.269 489 S C -0.939 173.634 174.600 -0.045 0.000 1.292 489 S CA -0.563 57.640 58.200 0.004 0.000 1.010 489 S CB 2.196 65.451 63.200 0.092 0.000 0.944 489 S HN -0.012 nan 8.310 nan 0.000 0.536 490 P HA -0.041 nan 4.420 nan 0.000 0.218 490 P C 0.706 177.933 177.300 -0.121 0.000 1.148 490 P CA 1.083 64.133 63.100 -0.084 0.000 0.822 490 P CB 0.003 31.656 31.700 -0.079 0.000 0.784 491 E N -1.750 118.328 120.200 -0.204 0.000 2.358 491 E HA -0.025 4.324 4.350 -0.002 0.000 0.195 491 E C 0.708 177.220 176.600 -0.146 0.000 1.010 491 E CA 0.637 56.846 56.400 -0.318 0.000 0.856 491 E CB -0.338 28.824 29.700 -0.897 0.000 0.795 491 E HN 0.094 nan 8.360 nan 0.000 0.504 492 N N -0.380 118.295 118.700 -0.041 0.000 2.639 492 N HA 0.078 4.817 4.740 -0.002 0.000 0.265 492 N C 0.203 175.727 175.510 0.023 0.000 1.689 492 N CA -0.025 53.051 53.050 0.042 0.000 0.813 492 N CB 0.001 38.559 38.487 0.118 0.000 1.353 492 N HN -0.081 nan 8.380 nan 0.000 0.510 493 M N 0.380 119.963 119.600 -0.028 0.000 2.089 493 M HA -0.113 4.365 4.480 -0.002 0.000 0.257 493 M C 0.200 176.309 176.300 -0.317 0.000 1.071 493 M CA 2.081 57.259 55.300 -0.202 0.000 1.096 493 M CB -0.377 32.044 32.600 -0.299 0.000 1.330 493 M HN 0.386 nan 8.290 nan 0.000 0.403 494 Y N -0.661 119.652 120.300 0.022 0.000 2.524 494 Y HA 0.448 4.997 4.550 -0.002 0.000 0.266 494 Y C 1.479 177.405 175.900 0.044 0.000 1.180 494 Y CA 0.042 58.159 58.100 0.029 0.000 1.244 494 Y CB -0.470 38.004 38.460 0.023 0.000 1.125 494 Y HN 0.453 nan 8.280 nan 0.000 0.524 495 G N 1.487 110.375 108.800 0.146 0.000 2.203 495 G HA2 -0.399 3.559 3.960 -0.002 0.000 0.263 495 G HA3 -0.399 3.559 3.960 -0.002 0.000 0.263 495 G C 0.966 175.959 174.900 0.155 0.000 1.012 495 G CA 0.847 46.026 45.100 0.132 0.000 0.749 495 G HN 0.592 nan 8.290 nan 0.000 0.512 496 N N -0.095 118.709 118.700 0.174 0.000 2.299 496 N HA 0.370 5.108 4.740 -0.002 0.000 0.187 496 N C 1.056 176.697 175.510 0.218 0.000 1.099 496 N CA 0.668 53.830 53.050 0.187 0.000 0.867 496 N CB 0.021 38.598 38.487 0.150 0.000 0.974 496 N HN 0.944 nan 8.380 nan 0.000 0.477 497 A N 1.039 123.961 122.820 0.170 0.000 2.520 497 A HA 0.418 4.737 4.320 -0.002 0.000 0.245 497 A C -0.426 177.328 177.584 0.282 0.000 1.072 497 A CA -0.170 51.950 52.037 0.137 0.000 0.761 497 A CB -0.564 18.502 19.000 0.111 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 0.839 120.881 119.950 0.153 0.000 2.654 498 F HA 0.741 5.267 4.527 -0.002 0.000 0.308 498 F C -1.054 174.888 175.800 0.236 0.000 1.108 498 F CA -1.497 56.613 58.000 0.182 0.000 0.957 498 F CB 0.813 39.854 39.000 0.068 0.000 1.309 498 F HN 0.763 nan 8.300 nan 0.000 0.446 499 Y N -0.372 120.094 120.300 0.277 0.000 2.818 499 Y HA 0.802 5.351 4.550 -0.002 0.000 0.322 499 Y C -1.364 174.643 175.900 0.179 0.000 1.323 499 Y CA -1.884 56.301 58.100 0.143 0.000 1.090 499 Y CB 0.963 39.456 38.460 0.056 0.000 1.328 499 Y HN 0.801 nan 8.280 nan 0.000 0.482 500 S N 0.736 116.466 115.700 0.049 0.000 2.438 500 S HA 0.271 4.740 4.470 -0.002 0.000 0.316 500 S C -0.982 173.596 174.600 -0.036 0.000 1.084 500 S CA -0.600 57.558 58.200 -0.071 0.000 1.107 500 S CB 0.158 63.374 63.200 0.027 0.000 0.981 500 S HN 0.698 nan 8.310 nan 0.000 0.466 501 E N 4.183 124.271 120.200 -0.188 0.000 2.130 501 E HA 0.207 4.555 4.350 -0.002 0.000 0.284 501 E C -0.530 176.063 176.600 -0.012 0.000 1.018 501 E CA -0.384 56.016 56.400 0.001 0.000 0.817 501 E CB 0.501 30.178 29.700 -0.038 0.000 1.078 501 E HN 0.528 nan 8.360 nan 0.000 0.396 502 K N 3.432 123.840 120.400 0.013 0.000 2.213 502 K HA 0.238 4.557 4.320 -0.002 0.000 0.270 502 K C -1.197 175.396 176.600 -0.013 0.000 1.002 502 K CA -0.379 55.885 56.287 -0.038 0.000 0.868 502 K CB 1.299 33.748 32.500 -0.086 0.000 1.093 502 K HN 0.320 nan 8.250 nan 0.000 0.454 503 T N 3.581 118.122 114.554 -0.022 0.000 2.893 503 T HA 0.110 4.458 4.350 -0.002 0.000 0.324 503 T C -0.466 174.199 174.700 -0.058 0.000 1.082 503 T CA -0.646 61.472 62.100 0.029 0.000 0.983 503 T CB 0.769 69.709 68.868 0.119 0.000 1.005 503 T HN 0.714 nan 8.240 nan 0.000 0.475 504 T N 1.201 115.761 114.554 0.010 0.000 2.884 504 T HA 0.486 4.835 4.350 -0.002 0.000 0.298 504 T C -0.053 174.724 174.700 0.129 0.000 0.998 504 T CA -0.637 61.479 62.100 0.027 0.000 1.124 504 T CB -0.049 68.955 68.868 0.227 0.000 0.931 504 T HN 0.198 nan 8.240 nan 0.000 0.531 505 F N 2.518 122.595 119.950 0.212 0.000 2.472 505 F HA 0.393 4.919 4.527 -0.002 0.000 0.364 505 F C 1.439 177.308 175.800 0.115 0.000 1.090 505 F CA -1.333 56.758 58.000 0.150 0.000 1.188 505 F CB 0.644 39.733 39.000 0.148 0.000 1.105 505 F HN 0.695 nan 8.300 nan 0.000 0.536 506 K N 0.430 120.997 120.400 0.278 0.000 2.168 506 K HA 0.055 4.374 4.320 -0.002 0.000 0.201 506 K C 0.853 177.536 176.600 0.137 0.000 1.049 506 K CA 0.671 57.061 56.287 0.172 0.000 0.974 506 K CB 0.269 32.849 32.500 0.134 0.000 0.792 506 K HN 0.585 nan 8.250 nan 0.000 0.463 507 T N -0.772 113.857 114.554 0.124 0.000 2.916 507 T HA 0.208 4.557 4.350 -0.002 0.000 0.292 507 T C 1.200 175.927 174.700 0.045 0.000 1.064 507 T CA -0.791 61.354 62.100 0.076 0.000 1.011 507 T CB 1.715 70.614 68.868 0.053 0.000 1.152 507 T HN -0.203 nan 8.240 nan 0.000 0.510 508 V N 3.111 123.037 119.914 0.020 0.000 2.278 508 V HA -0.163 3.956 4.120 -0.002 0.000 0.251 508 V C 2.687 178.723 176.094 -0.097 0.000 1.062 508 V CA 2.465 64.750 62.300 -0.024 0.000 1.038 508 V CB -0.647 31.174 31.823 -0.004 0.000 0.646 508 V HN 0.901 nan 8.190 nan 0.000 0.447 509 K N -0.189 120.170 120.400 -0.069 0.000 2.113 509 K HA -0.266 4.053 4.320 -0.002 0.000 0.208 509 K C 1.798 178.313 176.600 -0.142 0.000 1.047 509 K CA 2.031 58.260 56.287 -0.097 0.000 0.928 509 K CB -0.286 32.188 32.500 -0.043 0.000 0.716 509 K HN 0.531 nan 8.250 nan 0.000 0.446 510 D N 0.023 120.360 120.400 -0.105 0.000 2.178 510 D HA -0.130 4.508 4.640 -0.002 0.000 0.201 510 D C 1.942 177.918 176.300 -0.541 0.000 0.980 510 D CA 1.565 55.497 54.000 -0.113 0.000 0.842 510 D CB -0.094 40.776 40.800 0.116 0.000 0.948 510 D HN 0.380 nan 8.370 nan 0.000 0.472 511 S N 0.262 115.477 115.700 -0.808 0.000 2.453 511 S HA -0.046 4.423 4.470 -0.002 0.000 0.231 511 S C 1.304 175.446 174.600 -0.764 0.000 1.005 511 S CA -0.066 57.261 58.200 -1.455 0.000 0.949 511 S CB -0.529 62.195 63.200 -0.793 0.000 0.774 511 S HN 0.174 nan 8.310 nan 0.000 0.510 512 L N 3.780 124.695 121.223 -0.514 0.000 2.617 512 L HA 0.244 4.583 4.340 -0.002 0.000 0.282 512 L C 0.328 177.054 176.870 -0.240 0.000 1.174 512 L CA -0.161 54.346 54.840 -0.555 0.000 1.016 512 L CB -1.067 40.480 42.059 -0.852 0.000 1.337 512 L HN 0.409 nan 8.230 nan 0.000 0.460 513 T N -1.061 113.507 114.554 0.024 0.000 2.896 513 T HA 0.534 4.883 4.350 -0.002 0.000 0.297 513 T C -0.375 174.612 174.700 0.478 0.000 1.108 513 T CA -1.103 61.182 62.100 0.308 0.000 1.004 513 T CB 2.450 71.594 68.868 0.460 0.000 1.159 513 T HN 0.217 nan 8.240 nan 0.000 0.499 514 N N 0.039 119.027 118.700 0.479 0.000 2.362 514 N HA 0.351 5.089 4.740 -0.002 0.000 0.299 514 N C -1.276 174.602 175.510 0.612 0.000 1.170 514 N CA -0.622 52.728 53.050 0.500 0.000 0.825 514 N CB 1.368 40.032 38.487 0.295 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.971 121.626 120.300 0.592 0.000 2.497 515 Y HA 0.042 4.591 4.550 -0.002 0.000 0.334 515 Y C -0.255 175.768 175.900 0.205 0.000 1.199 515 Y CA 0.497 58.873 58.100 0.459 0.000 1.425 515 Y CB 0.531 39.281 38.460 0.484 0.000 1.291 515 Y HN 0.297 nan 8.280 nan 0.000 0.562 516 E N 3.403 123.092 120.200 -0.850 0.000 2.244 516 E HA 0.139 4.488 4.350 -0.002 0.000 0.260 516 E C 0.347 176.436 176.600 -0.850 0.000 0.884 516 E CA -0.013 56.023 56.400 -0.606 0.000 0.777 516 E CB 1.665 31.186 29.700 -0.298 0.000 1.197 516 E HN 0.781 nan 8.360 nan 0.000 0.416 517 S N 1.493 116.863 115.700 -0.550 0.000 2.423 517 S HA -0.116 4.352 4.470 -0.002 0.000 0.231 517 S C 1.801 176.296 174.600 -0.175 0.000 1.014 517 S CA 0.827 58.864 58.200 -0.270 0.000 0.965 517 S CB -0.020 63.168 63.200 -0.020 0.000 0.785 517 S HN 0.461 nan 8.310 nan 0.000 0.495 518 A N 1.841 124.560 122.820 -0.167 0.000 2.070 518 A HA 0.015 4.334 4.320 -0.002 0.000 0.220 518 A C 2.248 179.750 177.584 -0.136 0.000 1.159 518 A CA 1.710 53.676 52.037 -0.118 0.000 0.656 518 A CB -0.885 18.060 19.000 -0.092 0.000 0.800 518 A HN 0.782 nan 8.150 nan 0.000 0.453 519 T N -5.775 108.670 114.554 -0.183 0.000 3.111 519 T HA 0.429 4.778 4.350 -0.002 0.000 0.284 519 T C 1.092 175.687 174.700 -0.175 0.000 0.983 519 T CA 0.930 62.924 62.100 -0.177 0.000 0.900 519 T CB -0.026 68.735 68.868 -0.179 0.000 1.132 519 T HN 1.630 nan 8.240 nan 0.000 0.531 520 G N 2.802 111.500 108.800 -0.170 0.000 2.356 520 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.296 520 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.296 520 G C 0.036 174.909 174.900 -0.045 0.000 1.022 520 G CA 0.313 45.384 45.100 -0.048 0.000 0.961 520 G HN 0.929 nan 8.290 nan 0.000 0.510 521 R N 0.109 120.480 120.500 -0.215 0.000 2.537 521 R HA 0.336 4.675 4.340 -0.002 0.000 0.281 521 R C 0.842 176.988 176.300 -0.257 0.000 0.988 521 R CA 0.945 56.861 56.100 -0.307 0.000 1.077 521 R CB 0.201 30.194 30.300 -0.513 0.000 0.932 521 R HN 0.649 nan 8.270 nan 0.000 0.409 522 S N 3.927 119.414 115.700 -0.354 0.000 2.667 522 S HA 0.610 5.079 4.470 -0.002 0.000 0.292 522 S C -1.145 173.289 174.600 -0.278 0.000 1.126 522 S CA -1.027 57.064 58.200 -0.181 0.000 0.881 522 S CB 1.455 64.659 63.200 0.007 0.000 1.132 522 S HN 0.627 nan 8.310 nan 0.000 0.492 523 W N 0.526 121.923 121.300 0.162 0.000 2.819 523 W HA 0.445 5.104 4.660 -0.002 0.000 0.337 523 W C -1.374 175.231 176.519 0.144 0.000 1.077 523 W CA -0.436 57.038 57.345 0.215 0.000 1.226 523 W CB 2.139 31.853 29.460 0.423 0.000 1.419 523 W HN 0.630 nan 8.180 nan 0.000 0.502 524 D N 2.034 122.657 120.400 0.371 0.000 2.248 524 D HA 0.528 5.166 4.640 -0.002 0.000 0.246 524 D C -0.482 176.070 176.300 0.420 0.000 1.027 524 D CA -0.365 53.821 54.000 0.310 0.000 0.853 524 D CB 2.220 43.144 40.800 0.207 0.000 1.243 524 D HN 0.087 nan 8.370 nan 0.000 0.462 525 I N 3.183 123.958 120.570 0.341 0.000 2.411 525 I HA 0.361 4.530 4.170 -0.002 0.000 0.284 525 I C -0.733 175.599 176.117 0.359 0.000 1.012 525 I CA -0.867 60.599 61.300 0.277 0.000 1.119 525 I CB 0.376 38.451 38.000 0.126 0.000 1.261 525 I HN 0.230 nan 8.210 nan 0.000 0.448 526 F N 3.554 123.581 119.950 0.129 0.000 2.664 526 F HA 0.541 5.067 4.527 -0.002 0.000 0.329 526 F C -0.727 175.131 175.800 0.096 0.000 1.090 526 F CA -1.515 56.555 58.000 0.116 0.000 0.978 526 F CB 1.306 40.357 39.000 0.086 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 1.958 120.795 118.700 0.229 0.000 2.558 527 N HA 0.368 5.106 4.740 -0.002 0.000 0.242 527 N C -2.084 173.532 175.510 0.177 0.000 0.979 527 N CA -2.160 50.944 53.050 0.090 0.000 0.931 527 N CB 1.389 39.928 38.487 0.086 0.000 1.122 527 N HN 0.384 nan 8.380 nan 0.000 0.508 528 P HA -0.071 nan 4.420 nan 0.000 0.234 528 P C -0.144 177.218 177.300 0.104 0.000 1.167 528 P CA 0.819 64.043 63.100 0.206 0.000 0.763 528 P CB 0.295 32.089 31.700 0.156 0.000 0.835 529 N N -0.106 118.629 118.700 0.059 0.000 2.398 529 N HA 0.059 4.798 4.740 -0.002 0.000 0.188 529 N C 0.572 176.095 175.510 0.021 0.000 1.122 529 N CA 0.524 53.593 53.050 0.031 0.000 0.866 529 N CB 0.502 38.997 38.487 0.013 0.000 0.970 529 N HN 0.367 nan 8.380 nan 0.000 0.462 530 K N 0.190 120.608 120.400 0.029 0.000 2.433 530 K HA 0.654 4.973 4.320 -0.002 0.000 0.252 530 K C -0.995 175.607 176.600 0.003 0.000 1.015 530 K CA -0.746 55.541 56.287 -0.001 0.000 0.860 530 K CB 2.992 35.473 32.500 -0.031 0.000 1.359 530 K HN -0.319 nan 8.250 nan 0.000 0.452 531 V N 0.726 120.624 119.914 -0.026 0.000 2.888 531 V HA 0.240 4.359 4.120 -0.002 0.000 0.309 531 V C -0.764 175.299 176.094 -0.051 0.000 1.114 531 V CA -1.177 61.105 62.300 -0.029 0.000 0.940 531 V CB 1.950 33.760 31.823 -0.021 0.000 1.021 531 V HN 0.764 nan 8.190 nan 0.000 0.426 532 N N 5.162 123.839 118.700 -0.038 0.000 2.470 532 N HA 0.183 4.921 4.740 -0.002 0.000 0.268 532 N C -1.406 174.083 175.510 -0.035 0.000 1.136 532 N CA -1.381 51.644 53.050 -0.042 0.000 0.961 532 N CB 2.098 40.612 38.487 0.045 0.000 1.067 532 N HN 0.421 nan 8.380 nan 0.000 0.468 533 P HA -0.143 nan 4.420 nan 0.000 0.221 533 P C 0.436 177.798 177.300 0.103 0.000 1.145 533 P CA 1.323 64.382 63.100 -0.067 0.000 0.795 533 P CB 0.191 31.779 31.700 -0.186 0.000 0.775 534 Y N 0.914 121.222 120.300 0.013 0.000 2.265 534 Y HA 0.001 4.550 4.550 -0.002 0.000 0.290 534 Y C 2.970 178.885 175.900 0.025 0.000 1.137 534 Y CA 0.890 58.999 58.100 0.016 0.000 1.147 534 Y CB -1.432 37.040 38.460 0.020 0.000 1.104 534 Y HN 0.042 nan 8.280 nan 0.000 0.514 535 S N -0.785 115.060 115.700 0.241 0.000 2.453 535 S HA 0.124 4.592 4.470 -0.002 0.000 0.231 535 S C 1.909 176.540 174.600 0.051 0.000 1.005 535 S CA 0.867 59.164 58.200 0.163 0.000 0.949 535 S CB -0.561 62.825 63.200 0.310 0.000 0.774 535 S HN 0.693 nan 8.310 nan 0.000 0.510 536 G N 0.919 109.739 108.800 0.034 0.000 2.148 536 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.254 536 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.254 536 G C -0.048 174.805 174.900 -0.079 0.000 0.981 536 G CA 0.390 45.480 45.100 -0.016 0.000 0.670 536 G HN 0.527 nan 8.290 nan 0.000 0.528 537 K N 0.787 121.097 120.400 -0.150 0.000 2.118 537 K HA 0.540 4.859 4.320 -0.002 0.000 0.254 537 K C -2.300 174.200 176.600 -0.166 0.000 0.961 537 K CA -2.227 53.890 56.287 -0.284 0.000 0.876 537 K CB 1.788 33.838 32.500 -0.750 0.000 1.077 537 K HN 0.129 nan 8.250 nan 0.000 0.440 538 P HA 0.123 nan 4.420 nan 0.000 0.271 538 P C -2.493 174.846 177.300 0.066 0.000 1.218 538 P CA -1.237 61.871 63.100 0.014 0.000 0.780 538 P CB -0.200 31.586 31.700 0.144 0.000 0.901 539 P HA 0.051 nan 4.420 nan 0.000 0.271 539 P C -0.264 177.220 177.300 0.306 0.000 1.216 539 P CA 0.388 63.570 63.100 0.136 0.000 0.776 539 P CB 0.609 32.268 31.700 -0.068 0.000 0.881 540 S N 1.866 117.778 115.700 0.354 0.000 2.615 540 S HA 0.563 5.032 4.470 -0.002 0.000 0.269 540 S C -1.862 172.860 174.600 0.203 0.000 1.161 540 S CA -0.676 57.728 58.200 0.341 0.000 0.817 540 S CB 1.048 64.421 63.200 0.288 0.000 1.131 540 S HN 0.283 nan 8.310 nan 0.000 0.467 541 Y N 0.948 121.288 120.300 0.067 0.000 2.350 541 Y HA 0.598 5.147 4.550 -0.002 0.000 0.338 541 Y C 0.039 175.978 175.900 0.064 0.000 0.961 541 Y CA -0.502 57.597 58.100 -0.003 0.000 1.100 541 Y CB 1.960 40.383 38.460 -0.061 0.000 1.179 541 Y HN 0.853 nan 8.280 nan 0.000 0.454 542 K N 4.433 124.872 120.400 0.065 0.000 2.185 542 K HA 0.457 4.776 4.320 -0.002 0.000 0.269 542 K C -1.393 175.259 176.600 0.088 0.000 0.987 542 K CA -0.895 55.447 56.287 0.093 0.000 0.865 542 K CB 0.899 33.431 32.500 0.054 0.000 1.090 542 K HN 0.638 nan 8.250 nan 0.000 0.450 543 L N 5.731 127.020 121.223 0.110 0.000 2.278 543 L HA 0.245 4.584 4.340 -0.002 0.000 0.287 543 L C -1.324 175.634 176.870 0.146 0.000 1.072 543 L CA -0.035 54.844 54.840 0.064 0.000 0.819 543 L CB 1.152 43.204 42.059 -0.011 0.000 1.176 543 L HN 0.359 nan 8.230 nan 0.000 0.435 544 V N 5.027 124.979 119.914 0.062 0.000 2.293 544 V HA 0.535 4.654 4.120 -0.002 0.000 0.275 544 V C -0.019 176.088 176.094 0.022 0.000 1.021 544 V CA -0.219 62.118 62.300 0.061 0.000 0.815 544 V CB 0.831 32.668 31.823 0.023 0.000 1.025 544 V HN 0.849 nan 8.190 nan 0.000 0.448 545 S N 2.799 118.540 115.700 0.068 0.000 2.677 545 S HA 0.459 4.928 4.470 -0.002 0.000 0.283 545 S C 0.319 174.838 174.600 -0.134 0.000 1.159 545 S CA -0.050 58.172 58.200 0.036 0.000 1.001 545 S CB 2.105 65.416 63.200 0.186 0.000 1.032 545 S HN 0.709 nan 8.310 nan 0.000 0.487 546 T N 3.061 117.473 114.554 -0.237 0.000 2.959 546 T HA 0.255 4.604 4.350 -0.002 0.000 0.254 546 T C 0.155 174.708 174.700 -0.245 0.000 1.003 546 T CA 0.356 62.122 62.100 -0.557 0.000 0.950 546 T CB 0.041 68.713 68.868 -0.327 0.000 1.090 546 T HN 0.684 nan 8.240 nan 0.000 0.503 547 Q N 1.312 121.095 119.800 -0.028 0.000 2.844 547 Q HA 0.279 4.618 4.340 -0.002 0.000 0.235 547 Q C -0.944 175.165 176.000 0.182 0.000 1.336 547 Q CA -0.336 55.520 55.803 0.089 0.000 1.026 547 Q CB -0.268 28.543 28.738 0.121 0.000 1.513 547 Q HN 0.360 nan 8.270 nan 0.000 0.577 548 C N 2.875 122.280 119.300 0.176 0.000 2.816 548 C HA 0.369 4.828 4.460 -0.002 0.000 0.255 548 C C -2.131 172.999 174.990 0.233 0.000 1.141 548 C CA -1.947 57.223 59.018 0.253 0.000 1.554 548 C CB -0.521 27.452 27.740 0.388 0.000 1.778 548 C HN 0.542 nan 8.230 nan 0.000 0.429 549 P HA 0.275 nan 4.420 nan 0.000 0.275 549 P C -2.193 175.163 177.300 0.094 0.000 1.228 549 P CA -0.676 62.496 63.100 0.119 0.000 0.786 549 P CB 0.172 31.914 31.700 0.070 0.000 0.927 550 P HA 0.140 nan 4.420 nan 0.000 0.276 550 P C -0.757 176.532 177.300 -0.017 0.000 1.244 550 P CA -0.462 62.660 63.100 0.037 0.000 0.801 550 P CB 0.629 32.353 31.700 0.040 0.000 1.006 551 L N 2.531 123.711 121.223 -0.071 0.000 2.418 551 L HA 0.062 4.401 4.340 -0.002 0.000 0.274 551 L C 1.149 177.964 176.870 -0.092 0.000 1.135 551 L CA 0.346 55.116 54.840 -0.117 0.000 0.870 551 L CB -0.498 41.450 42.059 -0.185 0.000 1.154 551 L HN 0.324 nan 8.230 nan 0.000 0.462 552 L N 4.775 125.951 121.223 -0.078 0.000 2.179 552 L HA 0.149 4.488 4.340 -0.002 0.000 0.208 552 L C 1.401 178.229 176.870 -0.070 0.000 1.096 552 L CA 0.448 55.259 54.840 -0.048 0.000 0.779 552 L CB -0.478 41.570 42.059 -0.018 0.000 0.922 552 L HN 0.834 nan 8.230 nan 0.000 0.443 553 A N 0.880 123.635 122.820 -0.109 0.000 2.498 553 A HA 0.129 4.448 4.320 -0.002 0.000 0.239 553 A C 0.257 177.764 177.584 -0.127 0.000 1.068 553 A CA 0.014 51.973 52.037 -0.129 0.000 0.766 553 A CB 0.045 18.942 19.000 -0.172 0.000 1.003 553 A HN 0.178 nan 8.150 nan 0.000 0.497 554 K N 1.196 121.527 120.400 -0.116 0.000 2.138 554 K HA 0.196 4.515 4.320 -0.002 0.000 0.251 554 K C -0.028 176.497 176.600 -0.125 0.000 1.015 554 K CA -0.155 56.069 56.287 -0.105 0.000 0.917 554 K CB 0.474 32.924 32.500 -0.083 0.000 1.021 554 K HN 0.778 nan 8.250 nan 0.000 0.485 555 E N 0.002 120.136 120.200 -0.110 0.000 2.414 555 E HA 0.015 4.363 4.350 -0.002 0.000 0.263 555 E C 0.747 177.276 176.600 -0.118 0.000 1.000 555 E CA 0.654 56.984 56.400 -0.117 0.000 0.914 555 E CB 0.372 30.017 29.700 -0.091 0.000 0.948 555 E HN 0.826 nan 8.360 nan 0.000 0.444 556 G N 2.540 111.256 108.800 -0.140 0.000 2.195 556 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.246 556 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.246 556 G C 0.407 175.209 174.900 -0.163 0.000 0.984 556 G CA 0.309 45.325 45.100 -0.141 0.000 0.633 556 G HN 0.690 nan 8.290 nan 0.000 0.525 557 S N 0.054 115.648 115.700 -0.176 0.000 2.593 557 S HA 0.635 5.104 4.470 -0.002 0.000 0.269 557 S C 1.700 176.147 174.600 -0.256 0.000 1.334 557 S CA -0.087 57.996 58.200 -0.195 0.000 1.015 557 S CB 1.370 64.454 63.200 -0.194 0.000 0.912 557 S HN 0.415 nan 8.310 nan 0.000 0.541 558 L N 1.486 122.545 121.223 -0.275 0.000 2.042 558 L HA -0.130 4.208 4.340 -0.002 0.000 0.210 558 L C 2.648 179.253 176.870 -0.442 0.000 1.076 558 L CA 1.181 55.812 54.840 -0.348 0.000 0.749 558 L CB -0.914 40.959 42.059 -0.309 0.000 0.893 558 L HN 0.632 nan 8.230 nan 0.000 0.432 559 V N 0.186 119.810 119.914 -0.484 0.000 2.255 559 V HA -0.339 3.779 4.120 -0.002 0.000 0.247 559 V C 2.759 178.644 176.094 -0.349 0.000 1.051 559 V CA 2.051 64.093 62.300 -0.429 0.000 1.018 559 V CB -0.964 30.655 31.823 -0.341 0.000 0.641 559 V HN 0.515 nan 8.190 nan 0.000 0.445 560 A N -0.541 122.090 122.820 -0.315 0.000 1.933 560 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 560 A C 2.278 179.677 177.584 -0.309 0.000 1.175 560 A CA 1.782 53.639 52.037 -0.301 0.000 0.628 560 A CB -0.379 18.477 19.000 -0.241 0.000 0.814 560 A HN 0.573 nan 8.150 nan 0.000 0.444 561 K N -0.658 119.541 120.400 -0.335 0.000 2.103 561 K HA -0.035 4.284 4.320 -0.002 0.000 0.204 561 K C 2.045 178.338 176.600 -0.510 0.000 1.052 561 K CA 1.105 57.156 56.287 -0.394 0.000 0.945 561 K CB -0.119 32.114 32.500 -0.446 0.000 0.722 561 K HN 0.393 nan 8.250 nan 0.000 0.443 562 R N 0.222 120.439 120.500 -0.471 0.000 2.240 562 R HA 0.084 4.423 4.340 -0.002 0.000 0.203 562 R C 0.611 176.879 176.300 -0.054 0.000 1.011 562 R CA 0.503 56.386 56.100 -0.361 0.000 1.007 562 R CB 0.372 30.559 30.300 -0.188 0.000 0.911 562 R HN -0.008 nan 8.270 nan 0.000 0.468 563 A N 1.579 124.250 122.820 -0.249 0.000 3.204 563 A HA 0.284 4.602 4.320 -0.002 0.000 0.327 563 A C -1.995 175.175 177.584 -0.690 0.000 0.998 563 A CA -1.192 50.525 52.037 -0.534 0.000 0.891 563 A CB 0.532 19.046 19.000 -0.809 0.000 1.061 563 A HN -0.071 nan 8.150 nan 0.000 0.478 564 P HA -0.173 nan 4.420 nan 0.000 0.221 564 P C 1.328 178.531 177.300 -0.162 0.000 1.145 564 P CA 1.075 64.054 63.100 -0.202 0.000 0.795 564 P CB -0.199 31.460 31.700 -0.068 0.000 0.775 565 W N 0.038 121.298 121.300 -0.068 0.000 2.467 565 W HA 0.247 4.907 4.660 -0.002 0.000 0.275 565 W C 1.596 178.118 176.519 0.005 0.000 1.239 565 W CA 0.573 57.893 57.345 -0.041 0.000 1.266 565 W CB -1.688 27.733 29.460 -0.066 0.000 1.112 565 W HN -0.084 nan 8.180 nan 0.000 0.576 566 A N 1.290 123.656 122.820 -0.756 0.000 2.119 566 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 566 A C 2.108 179.524 177.584 -0.279 0.000 1.153 566 A CA 1.560 53.224 52.037 -0.620 0.000 0.692 566 A CB -0.795 17.556 19.000 -1.081 0.000 0.799 566 A HN 0.227 nan 8.150 nan 0.000 0.458 567 S N -0.640 114.906 115.700 -0.257 0.000 2.442 567 S HA -0.037 4.432 4.470 -0.002 0.000 0.236 567 S C 0.290 174.636 174.600 -0.424 0.000 1.007 567 S CA 0.876 58.891 58.200 -0.308 0.000 0.965 567 S CB -0.268 62.745 63.200 -0.310 0.000 0.773 567 S HN 0.800 nan 8.310 nan 0.000 0.504 568 H N -1.291 117.782 119.070 0.005 0.000 2.768 568 H HA 0.430 4.984 4.556 -0.002 0.000 0.371 568 H C 0.691 176.081 175.328 0.102 0.000 1.151 568 H CA -0.508 55.575 56.048 0.059 0.000 1.165 568 H CB 1.432 31.214 29.762 0.034 0.000 1.722 568 H HN -0.131 nan 8.280 nan 0.000 0.543 569 S N 0.565 116.428 115.700 0.272 0.000 2.402 569 S HA 0.017 4.486 4.470 -0.002 0.000 0.229 569 S C 0.440 175.124 174.600 0.139 0.000 1.021 569 S CA 0.622 58.965 58.200 0.238 0.000 0.974 569 S CB 0.292 63.736 63.200 0.405 0.000 0.800 569 S HN 0.255 nan 8.310 nan 0.000 0.484 570 V N 2.522 122.446 119.914 0.017 0.000 2.709 570 V HA 0.437 4.555 4.120 -0.002 0.000 0.308 570 V C -1.076 174.896 176.094 -0.204 0.000 1.062 570 V CA -0.963 61.179 62.300 -0.262 0.000 0.901 570 V CB 2.075 33.472 31.823 -0.710 0.000 1.003 570 V HN 0.235 nan 8.190 nan 0.000 0.425 571 N N 2.985 121.553 118.700 -0.220 0.000 2.430 571 N HA 0.553 5.292 4.740 -0.002 0.000 0.290 571 N C -1.465 173.973 175.510 -0.120 0.000 1.063 571 N CA -0.288 52.690 53.050 -0.121 0.000 0.883 571 N CB 2.716 41.235 38.487 0.054 0.000 1.465 571 N HN 0.348 nan 8.380 nan 0.000 0.493 572 V N 2.175 122.010 119.914 -0.132 0.000 2.444 572 V HA 0.518 4.637 4.120 -0.002 0.000 0.294 572 V C 0.234 176.370 176.094 0.071 0.000 1.022 572 V CA -0.756 61.541 62.300 -0.005 0.000 0.850 572 V CB 1.592 33.440 31.823 0.042 0.000 0.992 572 V HN 0.478 nan 8.190 nan 0.000 0.426 573 V N 3.369 123.369 119.914 0.143 0.000 3.102 573 V HA 0.796 4.914 4.120 -0.002 0.000 0.312 573 V C -2.939 173.206 176.094 0.085 0.000 1.135 573 V CA -3.074 59.293 62.300 0.112 0.000 1.022 573 V CB 2.234 34.145 31.823 0.147 0.000 1.056 573 V HN 0.606 nan 8.190 nan 0.000 0.436 574 P HA 0.183 nan 4.420 nan 0.000 0.269 574 P C -1.232 176.055 177.300 -0.022 0.000 1.209 574 P CA 0.223 63.344 63.100 0.035 0.000 0.776 574 P CB 0.048 31.759 31.700 0.018 0.000 0.876 575 Y N 3.182 123.443 120.300 -0.064 0.000 2.411 575 Y HA 0.353 4.902 4.550 -0.002 0.000 0.333 575 Y C 0.095 175.915 175.900 -0.133 0.000 1.186 575 Y CA 0.619 58.653 58.100 -0.110 0.000 1.381 575 Y CB 0.586 38.995 38.460 -0.085 0.000 1.273 575 Y HN 0.216 nan 8.280 nan 0.000 0.546 576 K N 3.834 123.494 120.400 -1.233 0.000 2.542 576 K HA 0.241 4.559 4.320 -0.002 0.000 0.259 576 K C -1.723 174.214 176.600 -1.105 0.000 0.932 576 K CA -0.677 55.129 56.287 -0.802 0.000 0.820 576 K CB 1.250 33.456 32.500 -0.491 0.000 1.345 576 K HN 0.628 nan 8.250 nan 0.000 0.432 577 D N 2.184 122.266 120.400 -0.530 0.000 2.443 577 D HA 0.017 4.656 4.640 -0.002 0.000 0.239 577 D C 0.277 176.387 176.300 -0.317 0.000 1.136 577 D CA 0.842 54.667 54.000 -0.292 0.000 0.879 577 D CB 0.530 41.303 40.800 -0.045 0.000 1.195 577 D HN 0.593 nan 8.370 nan 0.000 0.443 578 N N 1.128 119.669 118.700 -0.266 0.000 2.782 578 N HA -0.206 4.532 4.740 -0.002 0.000 0.251 578 N C -0.602 174.711 175.510 -0.328 0.000 1.101 578 N CA 0.470 53.362 53.050 -0.264 0.000 0.764 578 N CB -0.401 37.968 38.487 -0.195 0.000 1.122 578 N HN 0.440 nan 8.380 nan 0.000 0.561 579 R N 0.940 121.138 120.500 -0.503 0.000 3.171 579 R HA 0.280 4.618 4.340 -0.002 0.000 0.241 579 R C 1.377 177.352 176.300 -0.542 0.000 1.421 579 R CA -0.135 55.520 56.100 -0.741 0.000 1.444 579 R CB 0.279 29.793 30.300 -1.310 0.000 1.247 579 R HN 0.235 nan 8.270 nan 0.000 0.636 580 L N 0.531 121.533 121.223 -0.368 0.000 2.347 580 L HA 0.180 4.519 4.340 -0.002 0.000 0.196 580 L C -0.080 176.622 176.870 -0.279 0.000 1.072 580 L CA 0.462 54.994 54.840 -0.513 0.000 0.817 580 L CB 0.095 41.444 42.059 -1.184 0.000 1.029 580 L HN 0.319 nan 8.230 nan 0.000 0.478 581 Y N 1.394 121.844 120.300 0.250 0.000 2.434 581 Y HA 0.257 4.805 4.550 -0.002 0.000 0.341 581 Y C -1.525 174.400 175.900 0.042 0.000 0.965 581 Y CA -3.455 54.714 58.100 0.114 0.000 1.205 581 Y CB -0.190 38.246 38.460 -0.040 0.000 1.121 581 Y HN -0.039 nan 8.280 nan 0.000 0.507 582 P HA -0.119 nan 4.420 nan 0.000 0.223 582 P C 0.576 177.762 177.300 -0.189 0.000 1.144 582 P CA 1.148 63.995 63.100 -0.422 0.000 0.783 582 P CB 0.522 31.937 31.700 -0.475 0.000 0.771 583 S N -1.028 114.678 115.700 0.009 0.000 2.575 583 S HA 0.481 4.950 4.470 -0.002 0.000 0.237 583 S C 0.791 175.303 174.600 -0.146 0.000 0.975 583 S CA 0.288 58.576 58.200 0.147 0.000 0.960 583 S CB 0.028 63.449 63.200 0.368 0.000 0.822 583 S HN 0.530 nan 8.310 nan 0.000 0.472 584 G N 1.353 110.000 108.800 -0.255 0.000 2.662 584 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.686 584 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.686 584 G C -0.433 174.367 174.900 -0.167 0.000 1.271 584 G CA -0.428 44.471 45.100 -0.335 0.000 0.816 584 G HN 0.187 nan 8.290 nan 0.000 0.608 585 D N -0.092 120.187 120.400 -0.202 0.000 2.183 585 D HA 0.029 4.667 4.640 -0.002 0.000 0.203 585 D C 0.724 176.698 176.300 -0.543 0.000 0.969 585 D CA 1.354 55.176 54.000 -0.296 0.000 0.842 585 D CB 0.015 40.588 40.800 -0.379 0.000 0.957 585 D HN 0.489 nan 8.370 nan 0.000 0.484 586 H N 0.372 119.410 119.070 -0.053 0.000 2.786 586 H HA 0.241 4.796 4.556 -0.002 0.000 0.284 586 H C 1.000 176.306 175.328 -0.037 0.000 1.104 586 H CA -0.291 55.740 56.048 -0.028 0.000 1.339 586 H CB 1.522 31.279 29.762 -0.009 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.563 123.510 119.914 0.055 0.000 2.407 587 V HA -0.029 4.089 4.120 -0.002 0.000 0.245 587 V C -1.590 174.606 176.094 0.170 0.000 1.041 587 V CA 0.539 62.904 62.300 0.108 0.000 1.040 587 V CB -1.051 30.803 31.823 0.052 0.000 0.671 587 V HN 0.449 nan 8.190 nan 0.000 0.455 588 P HA 0.006 nan 4.420 nan 0.000 0.261 588 P C 0.320 177.733 177.300 0.188 0.000 1.173 588 P CA 0.883 64.044 63.100 0.102 0.000 0.760 588 P CB 0.007 31.737 31.700 0.050 0.000 0.783 589 Q N -1.650 118.288 119.800 0.230 0.000 2.416 589 Q HA -0.236 4.103 4.340 -0.002 0.000 0.235 589 Q C -0.277 175.992 176.000 0.449 0.000 0.773 589 Q CA 0.538 56.542 55.803 0.337 0.000 1.286 589 Q CB -1.767 27.113 28.738 0.238 0.000 1.556 589 Q HN 0.547 nan 8.270 nan 0.000 0.650 590 W N 1.812 123.196 121.300 0.140 0.000 2.266 590 W HA 0.298 4.957 4.660 -0.002 0.000 0.317 590 W C 1.241 177.663 176.519 -0.162 0.000 1.310 590 W CA 0.006 57.368 57.345 0.029 0.000 1.207 590 W CB 0.560 30.019 29.460 -0.001 0.000 1.199 590 W HN 0.116 nan 8.180 nan 0.000 0.544 591 S N 3.492 118.782 115.700 -0.684 0.000 2.481 591 S HA 0.102 4.571 4.470 -0.002 0.000 0.231 591 S C 1.584 175.379 174.600 -1.342 0.000 0.996 591 S CA 0.915 58.268 58.200 -1.411 0.000 0.942 591 S CB -0.396 62.236 63.200 -0.947 0.000 0.768 591 S HN 1.721 nan 8.310 nan 0.000 0.520 592 G N 0.618 108.140 108.800 -2.130 0.000 2.176 592 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.232 592 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.232 592 G C -0.473 173.789 174.900 -1.064 0.000 0.986 592 G CA 0.053 43.914 45.100 -2.065 0.000 0.643 592 G HN 0.561 nan 8.290 nan 0.000 0.522 593 D N 1.179 121.199 120.400 -0.634 0.000 2.225 593 D HA 0.558 5.197 4.640 -0.002 0.000 0.248 593 D C 0.721 177.149 176.300 0.214 0.000 1.096 593 D CA 1.431 55.343 54.000 -0.147 0.000 0.863 593 D CB 1.353 42.080 40.800 -0.121 0.000 1.156 593 D HN 1.378 nan 8.370 nan 0.000 0.450 594 G N 0.177 109.086 108.800 0.181 0.000 2.428 594 G HA2 -0.077 3.881 3.960 -0.002 0.000 0.681 594 G HA3 -0.077 3.881 3.960 -0.002 0.000 0.681 594 G C -0.996 174.002 174.900 0.164 0.000 1.340 594 G CA -1.009 44.211 45.100 0.200 0.000 0.915 594 G HN 0.336 nan 8.290 nan 0.000 0.645 595 V N 2.351 122.300 119.914 0.058 0.000 2.322 595 V HA 0.649 4.768 4.120 -0.002 0.000 0.258 595 V C 0.788 176.836 176.094 -0.076 0.000 1.074 595 V CA 0.614 62.913 62.300 -0.003 0.000 0.909 595 V CB -0.228 31.590 31.823 -0.008 0.000 1.090 595 V HN 1.050 nan 8.190 nan 0.000 0.486 596 R N 2.921 123.326 120.500 -0.158 0.000 2.752 596 R HA 0.814 5.153 4.340 -0.002 0.000 0.271 596 R C 0.418 176.419 176.300 -0.498 0.000 1.026 596 R CA -0.141 55.766 56.100 -0.321 0.000 0.901 596 R CB 1.179 31.203 30.300 -0.461 0.000 1.243 596 R HN 0.819 nan 8.270 nan 0.000 0.463 597 G N 1.234 109.631 108.800 -0.673 0.000 2.594 597 G HA2 -0.431 3.528 3.960 -0.002 0.000 0.297 597 G HA3 -0.431 3.528 3.960 -0.002 0.000 0.297 597 G C 0.554 174.356 174.900 -1.829 0.000 1.273 597 G CA 0.845 45.256 45.100 -1.148 0.000 0.974 597 G HN 0.791 nan 8.290 nan 0.000 0.552 598 M N 0.421 119.175 119.600 -1.411 0.000 2.195 598 M HA -0.025 4.454 4.480 -0.002 0.000 0.260 598 M C 2.394 178.423 176.300 -0.452 0.000 1.066 598 M CA 2.810 57.576 55.300 -0.891 0.000 1.089 598 M CB -0.517 31.860 32.600 -0.372 0.000 1.377 598 M HN 0.627 nan 8.290 nan 0.000 0.411 599 R N -0.413 119.885 120.500 -0.336 0.000 2.096 599 R HA -0.184 4.155 4.340 -0.002 0.000 0.235 599 R C 2.244 178.452 176.300 -0.153 0.000 1.127 599 R CA 1.925 57.929 56.100 -0.160 0.000 0.968 599 R CB -0.355 29.909 30.300 -0.060 0.000 0.861 599 R HN 0.668 nan 8.270 nan 0.000 0.440 600 E N -0.505 119.540 120.200 -0.259 0.000 2.072 600 E HA -0.173 4.175 4.350 -0.002 0.000 0.190 600 E C 1.403 178.026 176.600 0.038 0.000 0.982 600 E CA 1.057 57.384 56.400 -0.122 0.000 0.803 600 E CB -0.068 29.550 29.700 -0.137 0.000 0.755 600 E HN 0.407 nan 8.360 nan 0.000 0.453 601 W N 0.689 121.940 121.300 -0.081 0.000 2.363 601 W HA -0.057 4.602 4.660 -0.002 0.000 0.296 601 W C 2.097 178.577 176.519 -0.065 0.000 1.212 601 W CA 0.268 57.561 57.345 -0.086 0.000 1.260 601 W CB -0.885 28.499 29.460 -0.127 0.000 1.131 601 W HN 0.161 nan 8.180 nan 0.000 0.530 602 I N -0.061 120.577 120.570 0.114 0.000 2.353 602 I HA -0.075 4.094 4.170 -0.002 0.000 0.248 602 I C 2.133 178.270 176.117 0.033 0.000 1.119 602 I CA 1.323 62.651 61.300 0.047 0.000 1.417 602 I CB -1.045 36.950 38.000 -0.008 0.000 1.078 602 I HN 0.084 nan 8.210 nan 0.000 0.421 603 G N 2.311 111.126 108.800 0.026 0.000 2.611 603 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.301 603 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.301 603 G C 0.499 175.404 174.900 0.008 0.000 1.233 603 G CA 0.688 45.800 45.100 0.020 0.000 0.993 603 G HN 0.523 nan 8.290 nan 0.000 0.553 604 D N 1.247 121.654 120.400 0.011 0.000 2.328 604 D HA 0.375 5.014 4.640 -0.002 0.000 0.226 604 D C 1.809 178.111 176.300 0.003 0.000 1.066 604 D CA 1.147 55.150 54.000 0.006 0.000 0.861 604 D CB -0.454 40.351 40.800 0.009 0.000 0.912 604 D HN 2.189 nan 8.370 nan 0.000 0.521 605 G N 0.392 109.194 108.800 0.003 0.000 2.162 605 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.260 605 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.260 605 G C 1.078 175.981 174.900 0.006 0.000 0.976 605 G CA 0.887 45.985 45.100 -0.004 0.000 0.655 605 G HN 0.697 nan 8.290 nan 0.000 0.533 606 S N -0.769 114.940 115.700 0.015 0.000 2.524 606 S HA 0.304 4.772 4.470 -0.002 0.000 0.216 606 S C 0.639 175.257 174.600 0.029 0.000 0.987 606 S CA 0.591 58.804 58.200 0.022 0.000 0.909 606 S CB 0.377 63.590 63.200 0.021 0.000 0.781 606 S HN 0.625 nan 8.310 nan 0.000 0.521 607 E N 2.481 122.699 120.200 0.030 0.000 2.392 607 E HA 0.148 4.496 4.350 -0.002 0.000 0.264 607 E C -0.236 176.391 176.600 0.044 0.000 1.024 607 E CA -0.347 56.075 56.400 0.036 0.000 0.903 607 E CB 0.244 29.966 29.700 0.036 0.000 0.963 607 E HN 0.398 nan 8.360 nan 0.000 0.432 608 N N 2.457 121.184 118.700 0.046 0.000 2.492 608 N HA 0.028 4.767 4.740 -0.002 0.000 0.262 608 N C -0.025 175.522 175.510 0.063 0.000 1.202 608 N CA 0.224 53.308 53.050 0.055 0.000 0.926 608 N CB 0.405 38.920 38.487 0.048 0.000 1.078 608 N HN 0.551 nan 8.380 nan 0.000 0.454 609 I N -1.918 118.701 120.570 0.081 0.000 4.026 609 I HA 0.410 4.579 4.170 -0.002 0.000 0.324 609 I C -0.491 175.677 176.117 0.086 0.000 1.474 609 I CA -0.542 60.814 61.300 0.093 0.000 1.107 609 I CB 0.282 38.357 38.000 0.126 0.000 1.345 609 I HN 0.260 nan 8.210 nan 0.000 0.531 610 D N 2.491 122.932 120.400 0.068 0.000 2.274 610 D HA 0.210 4.849 4.640 -0.002 0.000 0.239 610 D C 0.309 176.612 176.300 0.005 0.000 1.104 610 D CA 0.080 54.103 54.000 0.038 0.000 0.840 610 D CB 0.634 41.476 40.800 0.070 0.000 1.100 610 D HN 0.244 nan 8.370 nan 0.000 0.477 611 N N 2.547 121.218 118.700 -0.049 0.000 2.641 611 N HA -0.222 4.516 4.740 -0.002 0.000 0.267 611 N C -1.388 174.113 175.510 -0.015 0.000 1.087 611 N CA 1.318 54.342 53.050 -0.044 0.000 0.731 611 N CB -0.923 37.556 38.487 -0.014 0.000 0.886 611 N HN 0.565 nan 8.380 nan 0.000 0.547 612 T N -0.521 114.025 114.554 -0.014 0.000 2.649 612 T HA 0.273 4.622 4.350 -0.002 0.000 0.305 612 T C -1.984 172.721 174.700 0.008 0.000 1.409 612 T CA -0.555 61.548 62.100 0.005 0.000 1.021 612 T CB 0.600 69.483 68.868 0.024 0.000 1.726 612 T HN 0.072 nan 8.240 nan 0.000 0.475 613 D N 2.322 122.736 120.400 0.024 0.000 2.295 613 D HA 0.504 5.143 4.640 -0.002 0.000 0.248 613 D C 0.167 176.528 176.300 0.103 0.000 1.154 613 D CA 0.011 54.028 54.000 0.027 0.000 0.857 613 D CB 0.574 41.375 40.800 0.002 0.000 1.117 613 D HN 0.642 nan 8.370 nan 0.000 0.468 614 I N -1.805 118.828 120.570 0.104 0.000 3.108 614 I HA 0.601 4.770 4.170 -0.002 0.000 0.312 614 I C -1.193 175.028 176.117 0.174 0.000 1.095 614 I CA -1.158 60.228 61.300 0.145 0.000 1.000 614 I CB 2.030 40.115 38.000 0.143 0.000 1.229 614 I HN 0.017 nan 8.210 nan 0.000 0.454 615 L N 2.721 124.053 121.223 0.180 0.000 2.381 615 L HA 0.477 4.816 4.340 -0.002 0.000 0.274 615 L C -1.502 175.504 176.870 0.227 0.000 0.988 615 L CA -0.456 54.474 54.840 0.149 0.000 0.824 615 L CB 2.298 44.449 42.059 0.152 0.000 1.263 615 L HN 0.528 nan 8.230 nan 0.000 0.410 616 F N 3.931 123.852 119.950 -0.049 0.000 2.347 616 F HA 0.524 5.050 4.527 -0.002 0.000 0.366 616 F C -0.974 174.768 175.800 -0.098 0.000 1.107 616 F CA -0.697 57.315 58.000 0.020 0.000 1.058 616 F CB 0.637 39.642 39.000 0.008 0.000 1.236 616 F HN 0.110 nan 8.300 nan 0.000 0.456 617 F N 5.261 125.261 119.950 0.084 0.000 2.404 617 F HA 0.290 4.816 4.527 -0.002 0.000 0.354 617 F C -0.194 175.699 175.800 0.155 0.000 1.122 617 F CA -0.618 57.471 58.000 0.148 0.000 1.080 617 F CB 0.777 39.852 39.000 0.124 0.000 1.131 617 F HN 0.428 nan 8.300 nan 0.000 0.471 618 H N 1.490 120.741 119.070 0.301 0.000 2.481 618 H HA 0.460 5.015 4.556 -0.002 0.000 0.333 618 H C -0.871 174.691 175.328 0.389 0.000 1.066 618 H CA -0.630 55.573 56.048 0.259 0.000 1.209 618 H CB 1.215 31.139 29.762 0.270 0.000 1.445 618 H HN 0.510 nan 8.280 nan 0.000 0.488 619 T N 7.445 121.999 114.554 0.001 0.000 2.744 619 T HA 0.421 4.770 4.350 -0.002 0.000 0.291 619 T C -0.865 173.772 174.700 -0.105 0.000 0.957 619 T CA -0.293 61.870 62.100 0.106 0.000 1.002 619 T CB -0.333 68.691 68.868 0.260 0.000 0.919 619 T HN 0.487 nan 8.240 nan 0.000 0.468 620 F N 0.280 120.158 119.950 -0.120 0.000 2.685 620 F HA 0.962 5.488 4.527 -0.002 0.000 0.315 620 F C 0.130 176.063 175.800 0.222 0.000 1.126 620 F CA -0.907 57.068 58.000 -0.043 0.000 0.950 620 F CB 1.086 40.014 39.000 -0.119 0.000 1.360 620 F HN 0.871 nan 8.300 nan 0.000 0.469 621 G N 0.282 109.202 108.800 0.200 0.000 2.356 621 G HA2 0.433 4.391 3.960 -0.002 0.000 0.266 621 G HA3 0.433 4.391 3.960 -0.002 0.000 0.266 621 G C -1.994 173.020 174.900 0.190 0.000 1.312 621 G CA -0.334 44.893 45.100 0.211 0.000 0.922 621 G HN 1.556 nan 8.290 nan 0.000 0.480 622 I N -2.916 117.756 120.570 0.170 0.000 3.095 622 I HA 0.860 5.029 4.170 -0.002 0.000 0.310 622 I C -0.793 175.342 176.117 0.029 0.000 1.196 622 I CA -1.029 60.328 61.300 0.095 0.000 0.985 622 I CB 2.256 40.294 38.000 0.064 0.000 1.250 622 I HN 0.481 nan 8.210 nan 0.000 0.446 623 T N 1.305 115.832 114.554 -0.044 0.000 2.779 623 T HA 0.347 4.696 4.350 -0.002 0.000 0.280 623 T C -1.017 173.513 174.700 -0.283 0.000 0.987 623 T CA -0.168 61.806 62.100 -0.210 0.000 0.966 623 T CB 0.267 69.021 68.868 -0.190 0.000 0.933 623 T HN 0.623 nan 8.240 nan 0.000 0.442 624 H N 2.700 121.395 119.070 -0.626 0.000 2.551 624 H HA 0.450 5.004 4.556 -0.002 0.000 0.321 624 H C -1.261 173.651 175.328 -0.693 0.000 1.028 624 H CA -1.081 54.620 56.048 -0.577 0.000 1.215 624 H CB 0.421 29.812 29.762 -0.620 0.000 1.414 624 H HN 0.418 nan 8.280 nan 0.000 0.480 625 F N 6.530 126.589 119.950 0.182 0.000 2.325 625 F HA 0.287 4.814 4.527 -0.001 0.000 0.369 625 F C -2.019 173.846 175.800 0.110 0.000 1.095 625 F CA -2.544 55.496 58.000 0.066 0.000 1.082 625 F CB 0.945 39.985 39.000 0.067 0.000 1.289 625 F HN 0.523 nan 8.300 nan 0.000 0.462 626 P HA 0.242 nan 4.420 nan 0.000 0.266 626 P C -0.723 176.670 177.300 0.154 0.000 1.193 626 P CA 0.088 63.222 63.100 0.058 0.000 0.770 626 P CB 0.782 32.465 31.700 -0.028 0.000 0.836 627 A N 4.023 126.947 122.820 0.174 0.000 2.515 627 A HA 0.602 4.920 4.320 -0.002 0.000 0.296 627 A C -2.121 175.545 177.584 0.136 0.000 1.094 627 A CA -1.474 50.645 52.037 0.135 0.000 0.718 627 A CB 0.803 19.883 19.000 0.135 0.000 1.307 627 A HN 0.246 nan 8.150 nan 0.000 0.408 628 P HA -0.163 nan 4.420 nan 0.000 0.217 628 P C 0.764 178.169 177.300 0.176 0.000 1.148 628 P CA 1.571 64.760 63.100 0.148 0.000 0.828 628 P CB 0.275 32.046 31.700 0.118 0.000 0.783 629 E N -0.690 119.591 120.200 0.135 0.000 2.267 629 E HA -0.164 4.184 4.350 -0.002 0.000 0.197 629 E C 1.267 177.942 176.600 0.123 0.000 0.998 629 E CA 1.044 57.512 56.400 0.112 0.000 0.830 629 E CB -0.702 29.047 29.700 0.082 0.000 0.751 629 E HN 0.355 nan 8.360 nan 0.000 0.491 630 D N -0.943 119.562 120.400 0.175 0.000 2.355 630 D HA -0.011 4.628 4.640 -0.002 0.000 0.218 630 D C -0.265 176.174 176.300 0.232 0.000 1.004 630 D CA 0.367 54.481 54.000 0.190 0.000 0.880 630 D CB 0.118 41.083 40.800 0.276 0.000 0.911 630 D HN 0.065 nan 8.370 nan 0.000 0.528 631 F N 1.213 121.191 119.950 0.047 0.000 2.538 631 F HA 0.314 4.840 4.527 -0.002 0.000 0.325 631 F C -1.675 174.144 175.800 0.032 0.000 1.066 631 F CA -2.367 55.654 58.000 0.035 0.000 0.946 631 F CB 2.144 41.178 39.000 0.056 0.000 1.199 631 F HN -0.305 nan 8.300 nan 0.000 0.473 632 P HA 0.073 nan 4.420 nan 0.000 0.240 632 P C -0.412 176.557 177.300 -0.552 0.000 1.190 632 P CA 0.828 63.193 63.100 -1.224 0.000 0.781 632 P CB 1.135 32.333 31.700 -0.838 0.000 0.931 633 L N 0.239 121.239 121.223 -0.371 0.000 2.386 633 L HA 0.518 4.857 4.340 -0.002 0.000 0.271 633 L C -0.536 176.193 176.870 -0.235 0.000 0.993 633 L CA -1.161 53.401 54.840 -0.464 0.000 0.819 633 L CB 2.804 44.380 42.059 -0.804 0.000 1.294 633 L HN -0.168 nan 8.230 nan 0.000 0.414 634 M N 5.925 125.418 119.600 -0.179 0.000 2.209 634 M HA 0.477 4.956 4.480 -0.002 0.000 0.355 634 M C -2.394 173.840 176.300 -0.109 0.000 1.171 634 M CA -1.491 53.761 55.300 -0.080 0.000 1.069 634 M CB 1.759 34.352 32.600 -0.012 0.000 1.622 634 M HN 0.261 nan 8.290 nan 0.000 0.459 635 P HA 0.123 nan 4.420 nan 0.000 0.269 635 P C -1.218 176.026 177.300 -0.093 0.000 1.209 635 P CA -0.162 62.889 63.100 -0.082 0.000 0.776 635 P CB 0.563 32.232 31.700 -0.052 0.000 0.876 636 A N 2.479 125.240 122.820 -0.098 0.000 2.546 636 A HA 0.013 4.332 4.320 -0.002 0.000 0.243 636 A C 0.341 177.862 177.584 -0.106 0.000 1.063 636 A CA 0.413 52.386 52.037 -0.105 0.000 0.757 636 A CB -0.491 18.458 19.000 -0.085 0.000 0.991 636 A HN 0.569 nan 8.150 nan 0.000 0.503 637 E N 3.543 123.664 120.200 -0.131 0.000 2.145 637 E HA 0.392 4.740 4.350 -0.002 0.000 0.270 637 E C -2.564 173.969 176.600 -0.111 0.000 0.906 637 E CA -2.255 54.066 56.400 -0.131 0.000 0.761 637 E CB 1.702 31.290 29.700 -0.188 0.000 1.116 637 E HN 0.544 nan 8.360 nan 0.000 0.408 638 P HA 0.285 nan 4.420 nan 0.000 0.278 638 P C -0.633 176.636 177.300 -0.052 0.000 1.238 638 P CA -0.130 62.926 63.100 -0.074 0.000 0.794 638 P CB 1.238 32.893 31.700 -0.076 0.000 0.955 639 I N 0.933 121.476 120.570 -0.046 0.000 2.656 639 I HA 0.462 4.631 4.170 -0.002 0.000 0.292 639 I C -0.102 175.987 176.117 -0.048 0.000 1.144 639 I CA -0.447 60.851 61.300 -0.003 0.000 1.038 639 I CB 2.610 40.635 38.000 0.042 0.000 1.244 639 I HN 0.288 nan 8.210 nan 0.000 0.420 640 T N 6.757 121.276 114.554 -0.060 0.000 2.889 640 T HA 0.735 5.083 4.350 -0.002 0.000 0.315 640 T C -1.890 172.694 174.700 -0.193 0.000 1.291 640 T CA -0.551 61.460 62.100 -0.149 0.000 1.028 640 T CB 1.502 70.294 68.868 -0.126 0.000 1.235 640 T HN 0.527 nan 8.240 nan 0.000 0.491 641 L N 1.718 122.769 121.223 -0.287 0.000 2.465 641 L HA 0.837 5.176 4.340 -0.002 0.000 0.257 641 L C -1.533 175.204 176.870 -0.222 0.000 0.988 641 L CA -1.173 53.506 54.840 -0.269 0.000 0.827 641 L CB 1.424 43.225 42.059 -0.430 0.000 1.397 641 L HN 0.948 nan 8.230 nan 0.000 0.410 642 M N 2.328 121.842 119.600 -0.144 0.000 2.501 642 M HA 0.670 5.149 4.480 -0.002 0.000 0.293 642 M C -2.100 174.172 176.300 -0.047 0.000 1.192 642 M CA -0.548 54.694 55.300 -0.097 0.000 0.886 642 M CB 2.719 35.284 32.600 -0.059 0.000 1.710 642 M HN 0.687 nan 8.290 nan 0.000 0.457 643 L N 4.892 126.121 121.223 0.011 0.000 2.345 643 L HA 0.580 4.918 4.340 -0.002 0.000 0.274 643 L C -0.837 176.160 176.870 0.211 0.000 0.999 643 L CA -0.613 54.315 54.840 0.146 0.000 0.849 643 L CB 1.266 43.462 42.059 0.229 0.000 1.220 643 L HN 0.710 nan 8.230 nan 0.000 0.422 644 R N 3.252 123.776 120.500 0.040 0.000 2.711 644 R HA 0.672 5.010 4.340 -0.002 0.000 0.284 644 R C -2.874 173.080 176.300 -0.576 0.000 0.968 644 R CA -2.093 53.913 56.100 -0.155 0.000 0.924 644 R CB 1.266 31.521 30.300 -0.076 0.000 1.162 644 R HN 0.139 nan 8.270 nan 0.000 0.465 645 P HA 0.125 nan 4.420 nan 0.000 0.276 645 P C -1.018 176.075 177.300 -0.346 0.000 1.243 645 P CA -0.330 62.177 63.100 -0.989 0.000 0.768 645 P CB 0.836 32.119 31.700 -0.696 0.000 0.856 646 R N 3.245 123.610 120.500 -0.226 0.000 2.483 646 R HA 0.270 4.609 4.340 -0.002 0.000 0.303 646 R C 0.540 176.826 176.300 -0.024 0.000 0.987 646 R CA -0.684 55.325 56.100 -0.152 0.000 0.881 646 R CB 0.154 30.416 30.300 -0.063 0.000 1.177 646 R HN 0.657 nan 8.270 nan 0.000 0.451 647 H N 0.856 119.937 119.070 0.019 0.000 3.415 647 H HA -0.222 4.333 4.556 -0.002 0.000 0.213 647 H C 0.741 176.062 175.328 -0.011 0.000 1.091 647 H CA 1.215 57.271 56.048 0.012 0.000 1.182 647 H CB -1.186 28.574 29.762 -0.004 0.000 1.160 647 H HN 0.535 nan 8.280 nan 0.000 0.319 648 F N 0.490 120.352 119.950 -0.146 0.000 2.149 648 F HA 0.154 4.680 4.527 -0.002 0.000 0.294 648 F C 0.989 176.523 175.800 -0.444 0.000 1.095 648 F CA 0.711 58.507 58.000 -0.341 0.000 1.276 648 F CB 0.203 38.853 39.000 -0.583 0.000 1.023 648 F HN -0.062 nan 8.300 nan 0.000 0.480 649 F N -0.376 119.615 119.950 0.069 0.000 2.457 649 F HA 0.262 4.788 4.527 -0.002 0.000 0.330 649 F C 1.669 177.434 175.800 -0.059 0.000 1.069 649 F CA -0.196 57.791 58.000 -0.022 0.000 1.009 649 F CB 0.622 39.626 39.000 0.007 0.000 1.276 649 F HN -0.224 nan 8.300 nan 0.000 0.492 650 T N -3.195 111.436 114.554 0.129 0.000 3.060 650 T HA 0.259 4.608 4.350 -0.002 0.000 0.249 650 T C -0.151 174.633 174.700 0.139 0.000 1.079 650 T CA 0.215 62.306 62.100 -0.016 0.000 1.013 650 T CB -0.549 68.119 68.868 -0.334 0.000 0.975 650 T HN 0.722 nan 8.240 nan 0.000 0.518 651 E N 0.040 120.318 120.200 0.131 0.000 2.422 651 E HA 0.272 4.620 4.350 -0.002 0.000 0.280 651 E C -1.393 175.204 176.600 -0.005 0.000 1.091 651 E CA -1.214 55.231 56.400 0.075 0.000 0.849 651 E CB -0.030 29.710 29.700 0.067 0.000 1.353 651 E HN -0.119 nan 8.360 nan 0.000 0.449 652 N N 2.222 120.882 118.700 -0.066 0.000 2.332 652 N HA -0.024 4.715 4.740 -0.002 0.000 0.274 652 N C -1.262 174.150 175.510 -0.164 0.000 1.351 652 N CA -1.015 51.958 53.050 -0.128 0.000 0.875 652 N CB 0.640 39.006 38.487 -0.202 0.000 1.140 652 N HN 0.414 nan 8.380 nan 0.000 0.489 653 P HA 0.004 nan 4.420 nan 0.000 0.230 653 P C 0.740 177.950 177.300 -0.151 0.000 1.158 653 P CA 0.683 63.528 63.100 -0.426 0.000 0.769 653 P CB 0.098 31.096 31.700 -1.170 0.000 0.807 654 G N -0.327 108.466 108.800 -0.012 0.000 3.189 654 G HA2 0.083 4.042 3.960 -0.002 0.000 0.225 654 G HA3 0.083 4.042 3.960 -0.002 0.000 0.225 654 G C 1.291 176.351 174.900 0.266 0.000 1.159 654 G CA -0.194 44.996 45.100 0.151 0.000 0.763 654 G HN 0.176 nan 8.290 nan 0.000 0.549 655 L N 1.070 122.362 121.223 0.116 0.000 2.362 655 L HA -0.006 4.332 4.340 -0.002 0.000 0.219 655 L C 1.850 178.794 176.870 0.123 0.000 1.134 655 L CA 1.020 55.912 54.840 0.087 0.000 0.807 655 L CB -0.052 41.967 42.059 -0.067 0.000 0.927 655 L HN 0.275 nan 8.230 nan 0.000 0.447 656 D N -0.286 120.183 120.400 0.115 0.000 2.325 656 D HA 0.050 4.688 4.640 -0.002 0.000 0.225 656 D C 0.594 176.936 176.300 0.070 0.000 1.096 656 D CA -0.021 54.036 54.000 0.095 0.000 0.844 656 D CB -0.114 40.769 40.800 0.138 0.000 0.925 656 D HN 0.210 nan 8.370 nan 0.000 0.513 657 I N 1.456 122.080 120.570 0.090 0.000 2.395 657 I HA 0.020 4.189 4.170 -0.002 0.000 0.289 657 I C 0.608 176.756 176.117 0.052 0.000 1.023 657 I CA -0.736 60.591 61.300 0.044 0.000 1.350 657 I CB 1.019 39.033 38.000 0.023 0.000 1.409 657 I HN -0.254 nan 8.210 nan 0.000 0.507 658 Q N 6.820 126.633 119.800 0.022 0.000 2.247 658 Q HA 0.108 4.446 4.340 -0.002 0.000 0.288 658 Q C -2.150 173.862 176.000 0.020 0.000 1.079 658 Q CA -1.140 54.676 55.803 0.021 0.000 0.932 658 Q CB 0.038 28.781 28.738 0.009 0.000 1.133 658 Q HN 0.304 nan 8.270 nan 0.000 0.377 659 P HA 0.077 nan 4.420 nan 0.000 0.272 659 P C 0.303 177.623 177.300 0.032 0.000 1.223 659 P CA -0.002 63.121 63.100 0.039 0.000 0.784 659 P CB 0.787 32.522 31.700 0.059 0.000 0.923 660 S N 0.064 115.791 115.700 0.044 0.000 2.414 660 S HA -0.023 4.446 4.470 -0.002 0.000 0.227 660 S C 0.089 174.782 174.600 0.154 0.000 1.022 660 S CA 1.087 59.331 58.200 0.072 0.000 0.958 660 S CB -0.375 62.860 63.200 0.058 0.000 0.797 660 S HN 0.576 nan 8.310 nan 0.000 0.493 661 Y N -0.200 120.108 120.300 0.013 0.000 2.519 661 Y HA 0.576 5.125 4.550 -0.002 0.000 0.336 661 Y C -1.615 174.305 175.900 0.033 0.000 1.089 661 Y CA -1.165 56.947 58.100 0.020 0.000 1.025 661 Y CB 1.164 39.634 38.460 0.016 0.000 1.318 661 Y HN -0.064 nan 8.280 nan 0.000 0.452 662 A N 6.749 129.130 122.820 -0.731 0.000 2.480 662 A HA 0.670 4.989 4.320 -0.002 0.000 0.289 662 A C -1.894 175.361 177.584 -0.547 0.000 1.044 662 A CA -0.493 51.277 52.037 -0.444 0.000 0.761 662 A CB 1.078 19.974 19.000 -0.174 0.000 1.289 662 A HN 0.823 nan 8.150 nan 0.000 0.401 663 M N 2.780 122.166 119.600 -0.357 0.000 2.204 663 M HA 0.456 4.935 4.480 -0.002 0.000 0.293 663 M C -0.579 175.680 176.300 -0.068 0.000 0.994 663 M CA -0.012 55.168 55.300 -0.199 0.000 0.925 663 M CB 1.842 34.380 32.600 -0.103 0.000 1.577 663 M HN 0.668 nan 8.290 nan 0.000 0.439 664 T N 2.540 117.060 114.554 -0.057 0.000 2.828 664 T HA 0.158 4.507 4.350 -0.002 0.000 0.290 664 T C 1.119 175.808 174.700 -0.019 0.000 1.019 664 T CA -0.066 62.017 62.100 -0.029 0.000 1.031 664 T CB 1.273 70.122 68.868 -0.031 0.000 1.001 664 T HN 0.813 nan 8.240 nan 0.000 0.531 665 T N 1.834 116.378 114.554 -0.017 0.000 2.746 665 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 665 T C 2.360 177.047 174.700 -0.022 0.000 1.039 665 T CA 1.724 63.811 62.100 -0.023 0.000 1.142 665 T CB -0.369 68.480 68.868 -0.032 0.000 0.866 665 T HN 0.753 nan 8.240 nan 0.000 0.444 666 S N 1.772 117.460 115.700 -0.021 0.000 2.383 666 S HA -0.088 4.381 4.470 -0.002 0.000 0.227 666 S C 1.855 176.445 174.600 -0.016 0.000 1.026 666 S CA 0.930 59.119 58.200 -0.019 0.000 0.981 666 S CB -0.418 62.770 63.200 -0.019 0.000 0.818 666 S HN 0.596 nan 8.310 nan 0.000 0.472 667 E N 1.786 121.976 120.200 -0.018 0.000 2.150 667 E HA 0.028 4.377 4.350 -0.002 0.000 0.193 667 E C 2.367 178.963 176.600 -0.006 0.000 0.985 667 E CA 0.879 57.269 56.400 -0.016 0.000 0.814 667 E CB -0.371 29.312 29.700 -0.029 0.000 0.752 667 E HN 0.726 nan 8.360 nan 0.000 0.466 668 A N 1.825 124.643 122.820 -0.003 0.000 1.898 668 A HA -0.178 4.140 4.320 -0.002 0.000 0.216 668 A C 1.961 179.546 177.584 0.001 0.000 1.181 668 A CA 1.210 53.252 52.037 0.008 0.000 0.620 668 A CB -0.175 18.830 19.000 0.009 0.000 0.819 668 A HN 0.021 nan 8.150 nan 0.000 0.442 669 K N -0.720 119.675 120.400 -0.009 0.000 2.026 669 K HA -0.134 4.185 4.320 -0.002 0.000 0.208 669 K C 2.352 178.949 176.600 -0.006 0.000 1.048 669 K CA 1.373 57.654 56.287 -0.011 0.000 0.929 669 K CB -0.202 32.289 32.500 -0.016 0.000 0.713 669 K HN 0.414 nan 8.250 nan 0.000 0.439 670 R N 0.954 121.451 120.500 -0.006 0.000 2.105 670 R HA -0.120 4.219 4.340 -0.002 0.000 0.239 670 R C 1.779 178.080 176.300 0.001 0.000 1.135 670 R CA 1.398 57.496 56.100 -0.004 0.000 0.967 670 R CB -0.220 30.077 30.300 -0.005 0.000 0.861 670 R HN 0.171 nan 8.270 nan 0.000 0.442 671 A N 0.742 123.565 122.820 0.005 0.000 2.263 671 A HA 0.145 4.464 4.320 -0.002 0.000 0.205 671 A C 0.596 178.186 177.584 0.009 0.000 1.226 671 A CA 0.547 52.591 52.037 0.012 0.000 0.810 671 A CB -0.471 18.542 19.000 0.022 0.000 0.784 671 A HN 0.204 nan 8.150 nan 0.000 0.486 672 V N 0.000 119.916 119.914 0.004 0.000 2.409 672 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556