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_E 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 2.028 124.848 122.820 -0.001 0.000 2.488 19 A HA 0.382 4.707 4.320 0.009 0.000 0.249 19 A C 0.560 178.149 177.584 0.008 0.000 1.083 19 A CA -0.119 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 2.534 123.039 120.500 0.009 0.000 2.590 20 R HA 0.274 4.619 4.340 0.009 0.000 0.274 20 R C -1.870 174.441 176.300 0.019 0.000 1.061 20 R CA -0.871 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 -0.372 176.968 177.300 0.067 0.000 1.256 21 P CA -0.216 62.917 63.100 0.054 0.000 0.795 21 P CB 0.932 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 -0.074 4.251 4.320 0.009 0.000 0.218 22 A C 0.959 178.655 177.584 0.187 0.000 1.157 22 A CA 1.233 53.352 52.037 0.136 0.000 0.670 22 A CB -0.973 18.116 19.000 0.147 0.000 0.804 22 A HN 0.792 nan 8.150 nan 0.000 0.453 23 H N -2.455 116.666 119.070 0.086 0.000 2.771 23 H HA 0.418 4.979 4.556 0.009 0.000 0.361 23 H C -2.427 172.858 175.328 -0.072 0.000 1.108 23 H CA -1.737 54.352 56.048 0.069 0.000 1.201 23 H CB 2.060 31.938 29.762 0.194 0.000 1.681 23 H HN -0.121 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 -0.003 0.000 1.144 24 P CA 1.220 64.180 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 -2.072 119.258 121.223 0.178 0.000 2.607 25 L HA 0.141 4.486 4.340 0.009 0.000 0.228 25 L C 0.294 177.093 176.870 -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 41.240 42.059 -0.734 0.000 1.103 25 L HN -0.114 nan 8.230 nan 0.000 0.468 26 D N 1.522 122.000 120.400 0.130 0.000 2.443 26 D HA 0.130 4.775 4.640 0.009 0.000 0.239 26 D C -2.034 174.372 176.300 0.177 0.000 1.136 26 D CA -1.005 53.153 54.000 0.264 0.000 0.879 26 D CB 0.660 41.600 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 0.570 32.396 31.700 0.210 0.000 0.951 28 L N 0.642 121.957 121.223 0.154 0.000 2.490 28 L HA 0.080 4.425 4.340 0.009 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 -0.055 42.074 42.059 0.116 0.000 1.123 28 L HN 0.504 nan 8.230 nan 0.000 0.484 29 S N 0.110 115.836 115.700 0.042 0.000 2.624 29 S HA 0.108 4.583 4.470 0.009 0.000 0.263 29 S C 1.315 175.847 174.600 -0.114 0.000 1.287 29 S CA -0.180 57.994 58.200 -0.044 0.000 0.990 29 S CB 1.269 64.441 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 4.245 4.350 0.009 0.000 0.269 30 T C 1.910 176.541 174.700 -0.115 0.000 1.052 30 T CA 1.156 63.123 62.100 -0.222 0.000 1.136 30 T CB -1.035 67.657 68.868 -0.293 0.000 0.864 30 T HN 0.872 nan 8.240 nan 0.000 0.467 31 A N 1.898 124.659 122.820 -0.100 0.000 1.898 31 A HA -0.031 4.294 4.320 0.009 0.000 0.216 31 A C 2.325 179.883 177.584 -0.044 0.000 1.181 31 A CA 1.430 53.430 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 -0.260 119.922 120.200 -0.031 0.000 2.110 32 E HA -0.138 4.217 4.350 0.009 0.000 0.193 32 E C 1.853 178.445 176.600 -0.014 0.000 0.988 32 E CA 1.116 57.511 56.400 -0.009 0.000 0.804 32 E CB -0.284 29.424 29.700 0.013 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.046 121.604 120.570 -0.019 0.000 2.179 33 I HA -0.275 3.900 4.170 0.009 0.000 0.242 33 I C 2.476 178.540 176.117 -0.089 0.000 1.088 33 I CA 1.025 62.306 61.300 -0.032 0.000 1.357 33 I CB -0.137 37.858 38.000 -0.009 0.000 1.051 33 I HN -0.018 nan 8.210 nan 0.000 0.409 34 K N 1.520 121.869 120.400 -0.085 0.000 2.057 34 K HA -0.120 4.205 4.320 0.009 0.000 0.207 34 K C 2.009 178.555 176.600 -0.089 0.000 1.049 34 K CA 1.731 57.957 56.287 -0.101 0.000 0.931 34 K CB -0.428 32.028 32.500 -0.073 0.000 0.714 34 K HN 0.296 nan 8.250 nan 0.000 0.440 35 A N 0.338 123.123 122.820 -0.058 0.000 1.902 35 A HA -0.031 4.294 4.320 0.009 0.000 0.217 35 A C 2.352 179.910 177.584 -0.042 0.000 1.181 35 A CA 1.967 53.980 52.037 -0.039 0.000 0.623 35 A CB -0.980 18.008 19.000 -0.021 0.000 0.818 35 A HN 0.405 nan 8.150 nan 0.000 0.443 36 A N -0.220 122.570 122.820 -0.049 0.000 1.898 36 A HA -0.087 4.238 4.320 0.009 0.000 0.216 36 A C 2.453 179.977 177.584 -0.100 0.000 1.181 36 A CA 2.494 54.506 52.037 -0.041 0.000 0.620 36 A CB -1.371 17.627 19.000 -0.004 0.000 0.819 36 A HN 0.750 nan 8.150 nan 0.000 0.442 37 T N -1.987 112.433 114.554 -0.223 0.000 2.867 37 T HA -0.126 4.229 4.350 0.009 0.000 0.268 37 T C 1.653 176.284 174.700 -0.115 0.000 1.057 37 T CA 1.332 63.185 62.100 -0.412 0.000 1.136 37 T CB -0.523 67.802 68.868 -0.905 0.000 0.874 37 T HN 0.363 nan 8.240 nan 0.000 0.466 38 N N 1.450 120.102 118.700 -0.080 0.000 2.120 38 N HA -0.063 4.683 4.740 0.009 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 0.995 115.553 114.554 0.008 0.000 2.708 39 T HA -0.055 4.300 4.350 0.009 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 3.961 4.120 0.009 0.000 0.246 40 V C 2.466 178.727 176.094 0.277 0.000 1.047 40 V CA 1.541 63.886 62.300 0.076 0.000 1.035 40 V CB -0.501 31.316 31.823 -0.009 0.000 0.658 40 V HN 0.462 nan 8.190 nan 0.000 0.452 41 K N 0.129 120.702 120.400 0.289 0.000 2.063 41 K HA -0.168 4.157 4.320 0.009 0.000 0.208 41 K C 2.411 179.113 176.600 0.170 0.000 1.048 41 K CA 1.841 58.279 56.287 0.251 0.000 0.928 41 K CB -0.338 32.288 32.500 0.210 0.000 0.713 41 K HN 0.389 nan 8.250 nan 0.000 0.442 42 S N 0.311 116.081 115.700 0.118 0.000 2.368 42 S HA -0.165 4.310 4.470 0.009 0.000 0.224 42 S C 1.720 176.340 174.600 0.033 0.000 1.029 42 S CA 1.010 59.249 58.200 0.065 0.000 0.988 42 S CB -0.367 62.863 63.200 0.050 0.000 0.838 42 S HN 0.325 nan 8.310 nan 0.000 0.462 43 Y N 1.041 121.271 120.300 -0.116 0.000 2.224 43 Y HA -0.062 4.494 4.550 0.009 0.000 0.289 43 Y C 0.708 176.348 175.900 -0.433 0.000 1.146 43 Y CA 1.180 59.093 58.100 -0.311 0.000 1.182 43 Y CB -0.136 38.041 38.460 -0.471 0.000 0.983 43 Y HN 0.194 nan 8.280 nan 0.000 0.524 44 F N 0.597 120.576 119.950 0.047 0.000 2.925 44 F HA 0.458 4.990 4.527 0.009 0.000 0.302 44 F C 0.841 176.618 175.800 -0.037 0.000 1.189 44 F CA -0.497 57.487 58.000 -0.027 0.000 1.346 44 F CB -0.798 38.211 39.000 0.016 0.000 0.954 44 F HN -0.021 nan 8.300 nan 0.000 0.506 45 A N 0.180 123.026 122.820 0.044 0.000 2.567 45 A HA 0.384 4.709 4.320 0.009 0.000 0.240 45 A C 1.579 179.182 177.584 0.031 0.000 1.053 45 A CA 0.984 53.042 52.037 0.034 0.000 0.755 45 A CB -0.550 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 1.551 110.372 108.800 0.035 0.000 2.199 46 G HA2 -0.197 3.768 3.960 0.009 0.000 0.254 46 G HA3 -0.197 3.768 3.960 0.009 0.000 0.254 46 G C 0.226 175.143 174.900 0.029 0.000 0.982 46 G CA 0.572 45.686 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 4.776 4.320 0.009 0.000 0.263 47 K C -0.012 176.588 176.600 -0.001 0.000 0.965 47 K CA -0.834 55.472 56.287 0.032 0.000 0.868 47 K CB 1.858 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 4.450 124.833 120.400 -0.029 0.000 2.183 48 K HA 0.197 4.523 4.320 0.009 0.000 0.272 48 K C -0.011 176.533 176.600 -0.093 0.000 1.113 48 K CA -0.248 56.015 56.287 -0.041 0.000 0.949 48 K CB -0.307 32.174 32.500 -0.032 0.000 1.365 48 K HN 0.607 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 4.748 4.170 0.009 0.000 0.308 49 I C -0.620 175.354 176.117 -0.238 0.000 1.016 49 I CA -0.801 60.352 61.300 -0.245 0.000 1.098 49 I CB 2.178 39.937 38.000 -0.402 0.000 1.279 49 I HN 0.421 nan 8.210 nan 0.000 0.454 50 S N 2.778 118.298 115.700 -0.300 0.000 2.548 50 S HA 0.664 5.139 4.470 0.009 0.000 0.286 50 S C -1.032 173.373 174.600 -0.325 0.000 1.098 50 S CA -0.660 57.425 58.200 -0.192 0.000 0.930 50 S CB 1.329 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 2.827 122.761 119.950 -0.026 0.000 2.404 51 F HA 0.463 4.995 4.527 0.009 0.000 0.345 51 F C 1.752 177.544 175.800 -0.013 0.000 1.110 51 F CA -0.570 57.421 58.000 -0.015 0.000 1.130 51 F CB 1.222 40.222 39.000 -0.000 0.000 1.129 51 F HN 0.835 nan 8.300 nan 0.000 0.500 52 N N 0.975 119.743 118.700 0.114 0.000 2.499 52 N HA 0.025 4.770 4.740 0.009 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 0.636 39.142 38.487 0.032 0.000 1.125 52 N HN 0.551 nan 8.380 nan 0.000 0.436 53 T N 0.566 115.166 114.554 0.076 0.000 2.993 53 T HA 0.489 4.844 4.350 0.009 0.000 0.312 53 T C -1.327 173.373 174.700 0.001 0.000 1.115 53 T CA -0.476 61.584 62.100 -0.067 0.000 1.027 53 T CB 2.684 71.376 68.868 -0.292 0.000 1.116 53 T HN -0.143 nan 8.240 nan 0.000 0.464 54 V N 2.616 122.531 119.914 0.002 0.000 2.509 54 V HA 0.721 4.847 4.120 0.009 0.000 0.289 54 V C -0.203 175.942 176.094 0.084 0.000 1.026 54 V CA -0.458 61.890 62.300 0.080 0.000 0.872 54 V CB 1.580 33.445 31.823 0.070 0.000 1.017 54 V HN 1.002 nan 8.190 nan 0.000 0.436 55 T N 3.835 118.465 114.554 0.126 0.000 2.841 55 T HA 0.630 4.986 4.350 0.009 0.000 0.296 55 T C -1.252 173.583 174.700 0.226 0.000 1.166 55 T CA -0.531 61.684 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 3.047 124.394 121.223 0.206 0.000 2.499 56 L HA 0.572 4.917 4.340 0.009 0.000 0.273 56 L C 0.197 177.158 176.870 0.151 0.000 1.195 56 L CA 0.082 55.018 54.840 0.160 0.000 0.882 56 L CB 0.387 42.525 42.059 0.131 0.000 1.133 56 L HN 0.582 nan 8.230 nan 0.000 0.483 57 R N 4.678 125.253 120.500 0.125 0.000 2.233 57 R HA 0.292 4.638 4.340 0.009 0.000 0.334 57 R C -0.559 175.765 176.300 0.040 0.000 1.037 57 R CA -0.174 55.973 56.100 0.078 0.000 0.920 57 R CB -0.171 30.184 30.300 0.092 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.530 125.739 120.200 0.016 0.000 2.437 58 E HA 0.037 4.392 4.350 0.009 0.000 0.263 58 E C -1.837 174.769 176.600 0.009 0.000 1.030 58 E CA -1.203 55.194 56.400 -0.004 0.000 0.934 58 E CB 0.187 29.866 29.700 -0.034 0.000 0.943 58 E HN 0.558 nan 8.360 nan 0.000 0.444 59 P HA -0.003 nan 4.420 nan 0.000 0.269 59 P C -0.739 176.610 177.300 0.081 0.000 1.215 59 P CA -0.201 62.929 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 2.515 125.383 122.820 0.079 0.000 2.555 60 A HA -0.055 4.270 4.320 0.009 0.000 0.233 60 A C 1.854 179.506 177.584 0.114 0.000 1.060 60 A CA 0.085 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 0.694 nan 8.150 nan 0.000 0.506 61 R N 1.010 121.558 120.500 0.080 0.000 2.080 61 R HA -0.168 4.177 4.340 0.009 0.000 0.236 61 R C 1.889 178.156 176.300 -0.056 0.000 1.137 61 R CA 2.251 58.290 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 -0.444 119.938 120.400 -0.030 0.000 2.057 62 K HA -0.101 4.224 4.320 0.009 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 -0.001 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 A N 0.495 123.362 122.820 0.078 0.000 1.902 63 A HA -0.220 4.105 4.320 0.009 0.000 0.217 63 A C 2.048 179.723 177.584 0.152 0.000 1.181 63 A CA 1.418 53.513 52.037 0.096 0.000 0.623 63 A CB -0.800 18.249 19.000 0.081 0.000 0.818 63 A HN 0.451 nan 8.150 nan 0.000 0.443 64 Y N 0.481 120.838 120.300 0.094 0.000 2.145 64 Y HA -0.176 4.379 4.550 0.008 0.000 0.286 64 Y C 2.016 178.069 175.900 0.255 0.000 1.145 64 Y CA 1.858 60.068 58.100 0.183 0.000 1.148 64 Y CB -0.231 38.345 38.460 0.194 0.000 0.981 64 Y HN 0.268 nan 8.280 nan 0.000 0.507 65 I N 0.026 120.699 120.570 0.172 0.000 2.286 65 I HA -0.333 3.842 4.170 0.009 0.000 0.248 65 I C 2.306 178.409 176.117 -0.023 0.000 1.115 65 I CA 1.519 62.855 61.300 0.061 0.000 1.392 65 I CB -0.486 37.544 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 4.083 4.340 0.009 0.000 0.202 66 Q C 2.020 178.010 176.000 -0.016 0.000 0.978 66 Q CA 2.010 57.812 55.803 -0.002 0.000 0.844 66 Q CB -0.285 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 1.664 122.861 121.300 -0.172 0.000 2.381 67 W HA -0.143 4.522 4.660 0.008 0.000 0.301 67 W C 2.009 178.378 176.519 -0.250 0.000 1.205 67 W CA 1.123 58.347 57.345 -0.202 0.000 1.285 67 W CB 0.037 29.352 29.460 -0.241 0.000 1.133 67 W HN -0.161 nan 8.180 nan 0.000 0.521 68 K N 0.564 120.671 120.400 -0.488 0.000 2.155 68 K HA -0.121 4.204 4.320 0.009 0.000 0.203 68 K C 1.026 177.356 176.600 -0.449 0.000 1.052 68 K CA 1.892 57.749 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 -1.265 118.773 120.200 -0.271 0.000 2.606 69 E HA 0.059 4.414 4.350 0.009 0.000 0.224 69 E C 0.372 176.887 176.600 -0.143 0.000 0.930 69 E CA -0.060 56.233 56.400 -0.179 0.000 1.125 69 E CB 0.753 30.394 29.700 -0.099 0.000 1.123 69 E HN 0.192 nan 8.360 nan 0.000 0.522 70 Q N 0.276 119.993 119.800 -0.139 0.000 2.135 70 Q HA 0.235 4.580 4.340 0.009 0.000 0.231 70 Q C 0.498 176.440 176.000 -0.097 0.000 0.817 70 Q CA 0.130 55.876 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 0.880 109.588 108.800 -0.154 0.000 2.233 71 G HA2 -0.305 3.660 3.960 0.009 0.000 0.270 71 G HA3 -0.305 3.660 3.960 0.009 0.000 0.270 71 G C 0.491 175.351 174.900 -0.066 0.000 1.011 71 G CA 0.052 45.071 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 4.512 3.960 0.009 0.000 0.250 72 G HA3 0.546 4.512 3.960 0.009 0.000 0.250 72 G C -1.111 173.876 174.900 0.144 0.000 1.212 72 G CA -0.189 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 -0.285 177.130 177.300 0.192 0.000 1.223 73 P CA -0.624 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 4.906 126.204 121.223 0.125 0.000 2.477 74 L HA 0.223 4.568 4.340 0.009 0.000 0.272 74 L C -2.089 174.677 176.870 -0.173 0.000 1.157 74 L CA -1.443 53.288 54.840 -0.181 0.000 0.889 74 L CB -0.928 41.051 42.059 -0.133 0.000 1.158 74 L HN 0.289 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 62.345 63.100 -0.120 0.000 0.772 75 P CB -0.217 31.421 31.700 -0.104 0.000 0.855 76 P HA 0.139 nan 4.420 nan 0.000 0.268 76 P C -0.356 176.930 177.300 -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 4.671 4.340 0.009 0.000 0.337 77 R C -0.860 175.453 176.300 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 29.359 30.300 -0.006 0.000 1.034 77 R HN 0.442 nan 8.270 nan 0.000 0.465 78 L N 2.722 123.969 121.223 0.039 0.000 2.342 78 L HA 0.777 5.122 4.340 0.009 0.000 0.271 78 L C -0.314 176.617 176.870 0.102 0.000 1.008 78 L CA -1.323 53.558 54.840 0.068 0.000 0.818 78 L CB 2.181 44.280 42.059 0.067 0.000 1.296 78 L HN 0.651 nan 8.230 nan 0.000 0.427 79 A N 1.823 124.724 122.820 0.135 0.000 2.330 79 A HA 0.549 4.874 4.320 0.009 0.000 0.313 79 A C -1.550 176.188 177.584 0.256 0.000 1.124 79 A CA -0.381 51.763 52.037 0.178 0.000 0.774 79 A CB 0.919 20.008 19.000 0.148 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.503 123.874 120.300 0.118 0.000 2.323 80 Y HA 0.587 5.142 4.550 0.009 0.000 0.331 80 Y C -0.784 175.198 175.900 0.137 0.000 1.092 80 Y CA -0.849 57.294 58.100 0.073 0.000 1.150 80 Y CB 0.746 39.232 38.460 0.044 0.000 1.200 80 Y HN 0.718 nan 8.280 nan 0.000 0.472 81 Y N 3.217 123.220 120.300 -0.496 0.000 2.545 81 Y HA 0.818 5.374 4.550 0.009 0.000 0.348 81 Y C -2.082 173.487 175.900 -0.551 0.000 1.002 81 Y CA -1.816 56.059 58.100 -0.376 0.000 1.039 81 Y CB 1.125 39.582 38.460 -0.006 0.000 1.271 81 Y HN 0.359 nan 8.280 nan 0.000 0.467 82 V N 4.978 124.797 119.914 -0.158 0.000 2.577 82 V HA 0.576 4.701 4.120 0.009 0.000 0.303 82 V C -0.283 175.804 176.094 -0.013 0.000 1.042 82 V CA -0.724 61.489 62.300 -0.145 0.000 0.872 82 V CB 1.400 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 2.523 123.046 120.570 -0.079 0.000 3.042 83 I HA 0.723 4.899 4.170 0.009 0.000 0.310 83 I C -1.602 174.374 176.117 -0.234 0.000 1.117 83 I CA -0.993 60.163 61.300 -0.240 0.000 1.003 83 I CB 2.403 40.123 38.000 -0.466 0.000 1.228 83 I HN 0.249 nan 8.210 nan 0.000 0.443 84 L N 2.230 123.303 121.223 -0.249 0.000 2.342 84 L HA 0.576 4.921 4.340 0.009 0.000 0.271 84 L C -0.497 176.237 176.870 -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 1.121 121.210 120.200 -0.185 0.000 2.224 85 E HA 0.554 4.909 4.350 0.009 0.000 0.265 85 E C -0.678 175.859 176.600 -0.106 0.000 0.878 85 E CA -0.738 55.559 56.400 -0.170 0.000 0.759 85 E CB 2.199 31.788 29.700 -0.186 0.000 1.164 85 E HN 0.736 nan 8.360 nan 0.000 0.414 86 A N 2.666 125.435 122.820 -0.085 0.000 2.567 86 A HA 0.347 4.673 4.320 0.009 0.000 0.240 86 A C 1.241 178.798 177.584 -0.045 0.000 1.053 86 A CA 1.117 53.120 52.037 -0.056 0.000 0.755 86 A CB -0.500 18.474 19.000 -0.043 0.000 0.978 86 A HN 1.097 nan 8.150 nan 0.000 0.507 87 G N 1.569 110.348 108.800 -0.035 0.000 2.184 87 G HA2 -0.217 3.748 3.960 0.009 0.000 0.264 87 G HA3 -0.217 3.748 3.960 0.009 0.000 0.264 87 G C 0.218 175.102 174.900 -0.025 0.000 0.975 87 G CA 0.778 45.863 45.100 -0.025 0.000 0.642 87 G HN 0.758 nan 8.290 nan 0.000 0.536 88 K N 1.113 121.490 120.400 -0.038 0.000 2.221 88 K HA 0.512 4.837 4.320 0.009 0.000 0.258 88 K C -2.243 174.335 176.600 -0.038 0.000 0.944 88 K CA -1.817 54.448 56.287 -0.037 0.000 0.823 88 K CB 2.412 34.879 32.500 -0.055 0.000 1.113 88 K HN 0.191 nan 8.250 nan 0.000 0.431 89 P HA 0.168 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 0.237 63.325 63.100 -0.019 0.000 0.794 89 P CB 0.847 32.546 31.700 -0.001 0.000 0.955 90 G N 1.186 109.964 108.800 -0.036 0.000 2.550 90 G HA2 -0.120 3.846 3.960 0.009 0.000 0.277 90 G HA3 -0.120 3.846 3.960 0.009 0.000 0.277 90 G C -0.207 174.633 174.900 -0.101 0.000 1.190 90 G CA 0.547 45.610 45.100 -0.062 0.000 0.971 90 G HN 0.930 nan 8.290 nan 0.000 0.559 91 V N -3.874 115.957 119.914 -0.137 0.000 3.165 91 V HA 0.957 5.082 4.120 0.009 0.000 0.309 91 V C -0.505 175.504 176.094 -0.142 0.000 1.267 91 V CA -0.545 61.655 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 0.870 121.183 120.400 -0.145 0.000 2.427 92 K HA 0.659 4.985 4.320 0.009 0.000 0.252 92 K C -1.185 175.359 176.600 -0.095 0.000 0.931 92 K CA -0.498 55.738 56.287 -0.084 0.000 0.793 92 K CB 2.404 34.834 32.500 -0.116 0.000 1.211 92 K HN 1.021 nan 8.250 nan 0.000 0.426 93 E N 0.804 120.931 120.200 -0.120 0.000 2.416 93 E HA 0.821 5.176 4.350 0.009 0.000 0.273 93 E C -0.400 175.878 176.600 -0.537 0.000 0.935 93 E CA -1.252 54.920 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 0.154 108.299 108.800 -1.093 0.000 2.340 94 G HA2 0.423 4.388 3.960 0.009 0.000 0.299 94 G HA3 0.423 4.388 3.960 0.009 0.000 0.299 94 G C -1.832 172.799 174.900 -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 -0.040 121.187 121.223 0.006 0.000 2.386 95 L HA 0.712 5.057 4.340 0.009 0.000 0.271 95 L C -0.614 176.386 176.870 0.218 0.000 0.993 95 L CA -1.160 53.774 54.840 0.157 0.000 0.819 95 L CB 2.331 44.458 42.059 0.113 0.000 1.294 95 L HN 0.336 nan 8.230 nan 0.000 0.414 96 V N 1.014 121.060 119.914 0.220 0.000 2.448 96 V HA 0.183 4.308 4.120 0.009 0.000 0.295 96 V C -0.644 175.501 176.094 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 33.858 31.823 0.119 0.000 0.988 96 V HN 0.704 nan 8.190 nan 0.000 0.431 97 D N 3.940 124.371 120.400 0.051 0.000 2.393 97 D HA 0.263 4.909 4.640 0.009 0.000 0.232 97 D C 1.109 177.427 176.300 0.029 0.000 1.192 97 D CA -0.132 53.891 54.000 0.038 0.000 0.882 97 D CB 0.827 41.643 40.800 0.026 0.000 1.038 97 D HN 0.453 nan 8.370 nan 0.000 0.499 98 L N 3.275 124.517 121.223 0.031 0.000 2.127 98 L HA -0.180 4.166 4.340 0.009 0.000 0.211 98 L C 2.384 179.262 176.870 0.013 0.000 1.089 98 L CA 1.228 56.081 54.840 0.022 0.000 0.757 98 L CB -0.451 41.621 42.059 0.023 0.000 0.899 98 L HN 0.534 nan 8.230 nan 0.000 0.434 99 A N 0.076 122.903 122.820 0.012 0.000 1.902 99 A HA -0.196 4.129 4.320 0.009 0.000 0.217 99 A C 2.367 179.956 177.584 0.009 0.000 1.181 99 A CA 2.066 54.108 52.037 0.008 0.000 0.623 99 A CB -0.533 18.471 19.000 0.006 0.000 0.818 99 A HN 0.512 nan 8.150 nan 0.000 0.443 100 S N -1.230 114.477 115.700 0.011 0.000 2.577 100 S HA 0.405 4.880 4.470 0.009 0.000 0.219 100 S C 0.492 175.100 174.600 0.012 0.000 0.962 100 S CA 0.123 58.330 58.200 0.012 0.000 0.921 100 S CB -0.558 62.650 63.200 0.013 0.000 0.789 100 S HN 0.588 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 4.153 4.340 0.009 0.000 0.481 101 L C 0.002 176.879 176.870 0.011 0.000 1.232 101 L CA 0.517 55.363 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 -2.343 113.362 115.700 0.009 0.000 2.556 102 S HA 0.716 5.192 4.470 0.009 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 2.444 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 3.170 123.024 119.914 -0.101 0.000 2.470 103 V HA 0.218 4.343 4.120 0.009 0.000 0.276 103 V C 1.189 177.209 176.094 -0.123 0.000 1.040 103 V CA -0.093 62.097 62.300 -0.184 0.000 1.008 103 V CB 0.103 31.538 31.823 -0.647 0.000 0.990 103 V HN 0.906 nan 8.190 nan 0.000 0.477 104 I N 1.155 121.703 120.570 -0.038 0.000 4.070 104 I HA 0.522 4.697 4.170 0.009 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 0.803 121.001 120.200 -0.004 0.000 2.335 105 E HA 0.474 4.829 4.350 0.009 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 2.427 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 2.902 117.475 114.554 0.031 0.000 2.942 106 T HA 0.643 4.998 4.350 0.009 0.000 0.327 106 T C -2.001 172.759 174.700 0.100 0.000 1.360 106 T CA -0.680 61.468 62.100 0.079 0.000 1.055 106 T CB 0.949 69.895 68.868 0.129 0.000 1.261 106 T HN 0.659 nan 8.240 nan 0.000 0.485 107 R N 1.821 122.383 120.500 0.102 0.000 2.634 107 R HA 0.799 5.144 4.340 0.009 0.000 0.263 107 R C -1.670 174.675 176.300 0.075 0.000 1.060 107 R CA -1.143 55.011 56.100 0.090 0.000 0.898 107 R CB 1.001 31.339 30.300 0.063 0.000 1.253 107 R HN 0.713 nan 8.270 nan 0.000 0.461 108 A N 2.588 125.449 122.820 0.067 0.000 2.290 108 A HA 0.646 4.971 4.320 0.009 0.000 0.310 108 A C -1.022 176.568 177.584 0.010 0.000 1.202 108 A CA -0.703 51.353 52.037 0.032 0.000 0.837 108 A CB 0.803 19.828 19.000 0.042 0.000 1.139 108 A HN 0.428 nan 8.150 nan 0.000 0.509 109 L N 2.854 124.062 121.223 -0.026 0.000 2.356 109 L HA 0.336 4.681 4.340 0.009 0.000 0.264 109 L C 0.941 177.785 176.870 -0.045 0.000 1.029 109 L CA 0.348 55.168 54.840 -0.033 0.000 0.897 109 L CB 0.731 42.752 42.059 -0.064 0.000 1.256 109 L HN 0.906 nan 8.230 nan 0.000 0.444 110 E N 0.209 120.400 120.200 -0.016 0.000 2.358 110 E HA -0.064 4.291 4.350 0.009 0.000 0.195 110 E C 0.611 177.212 176.600 0.003 0.000 1.010 110 E CA 1.090 57.483 56.400 -0.011 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 -1.539 113.023 114.554 0.013 0.000 3.269 111 T HA 0.398 4.754 4.350 0.009 0.000 0.269 111 T C -0.145 174.587 174.700 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 0.382 120.306 119.914 0.015 0.000 3.102 112 V HA 0.666 4.791 4.120 0.009 0.000 0.312 112 V C -1.778 174.313 176.094 -0.004 0.000 1.135 112 V CA -0.801 61.513 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 3.797 123.620 119.800 0.039 0.000 2.347 113 Q HA 0.549 4.894 4.340 0.009 0.000 0.271 113 Q C -2.723 173.311 176.000 0.057 0.000 1.064 113 Q CA -1.863 53.957 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 1.307 33.057 31.700 0.082 0.000 1.154 115 I N 0.230 120.895 120.570 0.158 0.000 2.880 115 I HA -0.086 4.089 4.170 0.009 0.000 0.296 115 I C -0.041 176.151 176.117 0.125 0.000 1.220 115 I CA 0.059 61.431 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 0.109 0.000 2.260 116 L HA 0.248 4.593 4.340 0.009 0.000 0.289 116 L C 0.608 177.555 176.870 0.128 0.000 1.057 116 L CA -0.471 54.449 54.840 0.133 0.000 0.811 116 L CB 0.938 43.117 42.059 0.200 0.000 1.184 116 L HN 0.676 nan 8.230 nan 0.000 0.429 117 T N -0.811 113.739 114.554 -0.007 0.000 2.816 117 T HA 0.181 4.536 4.350 0.009 0.000 0.282 117 T C 1.517 176.140 174.700 -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 70.105 68.868 -0.348 0.000 1.025 117 T HN 0.366 nan 8.240 nan 0.000 0.529 118 V N -0.668 119.133 119.914 -0.187 0.000 2.392 118 V HA -0.134 3.992 4.120 0.009 0.000 0.249 118 V C 2.278 178.345 176.094 -0.044 0.000 1.059 118 V CA 1.826 64.080 62.300 -0.077 0.000 1.051 118 V CB -1.304 30.487 31.823 -0.053 0.000 0.658 118 V HN 0.933 nan 8.190 nan 0.000 0.455 119 E N 0.305 120.467 120.200 -0.063 0.000 2.106 119 E HA -0.177 4.178 4.350 0.009 0.000 0.192 119 E C 2.011 178.603 176.600 -0.012 0.000 0.984 119 E CA 1.380 57.764 56.400 -0.027 0.000 0.806 119 E CB -0.223 29.461 29.700 -0.027 0.000 0.750 119 E HN 0.657 nan 8.360 nan 0.000 0.458 120 D N 0.607 120.997 120.400 -0.017 0.000 2.144 120 D HA -0.119 4.527 4.640 0.009 0.000 0.199 120 D C 2.003 178.319 176.300 0.027 0.000 0.984 120 D CA 0.902 54.906 54.000 0.007 0.000 0.834 120 D CB -0.014 40.796 40.800 0.016 0.000 0.955 120 D HN 0.182 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 4.316 4.340 0.009 0.000 0.205 121 L C 2.464 179.359 176.870 0.041 0.000 1.086 121 L CA 0.341 55.209 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 0.045 nan 8.230 nan 0.000 0.446 122 C N -0.032 119.285 119.300 0.028 0.000 2.419 122 C HA -0.115 4.351 4.460 0.009 0.000 0.283 122 C C 3.013 178.021 174.990 0.031 0.000 1.373 122 C CA 1.288 60.325 59.018 0.032 0.000 1.781 122 C CB -0.990 26.765 27.740 0.025 0.000 1.886 122 C HN 0.667 nan 8.230 nan 0.000 0.520 123 S N -0.917 114.799 115.700 0.026 0.000 2.524 123 S HA -0.065 4.410 4.470 0.009 0.000 0.216 123 S C 1.398 176.013 174.600 0.025 0.000 0.987 123 S CA 1.103 59.316 58.200 0.021 0.000 0.909 123 S CB -0.637 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 -0.109 4.246 4.350 0.009 0.000 0.268 124 T C 1.628 176.354 174.700 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 0.486 120.714 120.200 0.046 0.000 2.085 125 E HA -0.204 4.151 4.350 0.009 0.000 0.194 125 E C 2.208 178.810 176.600 0.003 0.000 0.994 125 E CA 1.151 57.570 56.400 0.032 0.000 0.801 125 E CB 0.001 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 4.223 4.350 0.009 0.000 0.192 126 E C 2.063 178.665 176.600 0.003 0.000 0.983 126 E CA 1.114 57.510 56.400 -0.007 0.000 0.818 126 E CB 0.016 29.713 29.700 -0.006 0.000 0.758 126 E HN 0.328 nan 8.360 nan 0.000 0.467 127 V N -0.002 119.919 119.914 0.011 0.000 2.427 127 V HA -0.188 3.937 4.120 0.009 0.000 0.248 127 V C 2.215 178.321 176.094 0.020 0.000 1.051 127 V CA 1.704 64.011 62.300 0.013 0.000 1.048 127 V CB -0.942 30.888 31.823 0.012 0.000 0.666 127 V HN 0.426 nan 8.190 nan 0.000 0.456 128 I N -1.285 119.304 120.570 0.032 0.000 2.439 128 I HA -0.038 4.137 4.170 0.009 0.000 0.251 128 I C 2.721 178.866 176.117 0.047 0.000 1.139 128 I CA 1.279 62.609 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 1.114 121.630 120.500 0.027 0.000 2.120 129 R HA -0.128 4.217 4.340 0.009 0.000 0.234 129 R C 1.607 177.919 176.300 0.019 0.000 1.123 129 R CA 1.742 57.854 56.100 0.020 0.000 0.975 129 R CB -0.441 29.854 30.300 -0.009 0.000 0.866 129 R HN 0.449 nan 8.270 nan 0.000 0.446 130 N N 0.685 119.392 118.700 0.013 0.000 2.280 130 N HA -0.061 4.684 4.740 0.009 0.000 0.192 130 N C -0.929 174.584 175.510 0.005 0.000 1.109 130 N CA -0.007 53.048 53.050 0.008 0.000 0.855 130 N CB 0.315 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 -0.472 119.933 120.400 0.008 0.000 2.295 131 D HA 0.198 4.843 4.640 0.009 0.000 0.248 131 D C -1.652 174.641 176.300 -0.012 0.000 1.154 131 D CA -2.183 51.817 54.000 -0.000 0.000 0.857 131 D CB 1.489 42.293 40.800 0.006 0.000 1.117 131 D HN 0.013 nan 8.370 nan 0.000 0.468 132 P HA -0.197 nan 4.420 nan 0.000 0.215 132 P C 0.908 178.175 177.300 -0.056 0.000 1.157 132 P CA 1.556 64.637 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 -0.169 4.156 4.320 0.009 0.000 0.217 133 A C 2.349 179.845 177.584 -0.147 0.000 1.181 133 A CA 1.894 53.868 52.037 -0.105 0.000 0.623 133 A CB -1.706 17.232 19.000 -0.105 0.000 0.818 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.223 120.080 119.914 -0.096 0.000 2.307 134 V HA -0.249 3.876 4.120 0.009 0.000 0.245 134 V C 2.419 178.449 176.094 -0.107 0.000 1.045 134 V CA 1.922 64.168 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 0.188 120.727 120.570 -0.051 0.000 2.208 135 I HA -0.316 3.860 4.170 0.009 0.000 0.245 135 I C 2.599 178.669 176.117 -0.078 0.000 1.097 135 I CA 2.174 63.454 61.300 -0.034 0.000 1.363 135 I CB -0.408 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 0.605 120.737 120.200 -0.112 0.000 2.110 136 E HA -0.264 4.091 4.350 0.009 0.000 0.193 136 E C 2.198 178.682 176.600 -0.193 0.000 0.988 136 E CA 1.116 57.440 56.400 -0.127 0.000 0.804 136 E CB 0.116 29.742 29.700 -0.124 0.000 0.745 136 E HN 0.417 nan 8.360 nan 0.000 0.458 137 Q N -0.053 119.545 119.800 -0.338 0.000 2.167 137 Q HA -0.119 4.226 4.340 0.009 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 -0.312 118.879 119.300 -0.181 0.000 2.446 138 C HA -0.047 4.418 4.460 0.009 0.000 0.277 138 C C 2.853 177.836 174.990 -0.011 0.000 1.275 138 C CA 0.321 59.363 59.018 0.039 0.000 1.727 138 C CB -0.915 26.883 27.740 0.098 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.678 120.566 119.914 -0.044 0.000 2.295 139 V HA -0.201 3.924 4.120 0.009 0.000 0.246 139 V C 2.398 178.464 176.094 -0.047 0.000 1.049 139 V CA 1.678 63.954 62.300 -0.039 0.000 1.024 139 V CB -0.691 31.107 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 4.242 4.340 0.009 0.000 0.211 140 L C 2.290 179.137 176.870 -0.038 0.000 1.089 140 L CA 1.810 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 -0.811 114.877 115.700 -0.019 0.000 2.593 141 S HA 0.298 4.774 4.470 0.009 0.000 0.217 141 S C 1.358 175.942 174.600 -0.027 0.000 0.966 141 S CA 0.591 58.800 58.200 0.014 0.000 0.914 141 S CB -0.005 63.264 63.200 0.114 0.000 0.776 141 S HN 0.637 nan 8.310 nan 0.000 0.523 142 G N 1.399 110.175 108.800 -0.040 0.000 2.144 142 G HA2 -0.201 3.764 3.960 0.009 0.000 0.218 142 G HA3 -0.201 3.764 3.960 0.009 0.000 0.218 142 G C -0.084 174.764 174.900 -0.086 0.000 0.988 142 G CA -0.418 44.646 45.100 -0.060 0.000 0.659 142 G HN 0.494 nan 8.290 nan 0.000 0.522 143 I N 1.457 121.985 120.570 -0.071 0.000 2.382 143 I HA 0.318 4.494 4.170 0.009 0.000 0.286 143 I C -2.216 173.896 176.117 -0.008 0.000 1.002 143 I CA -2.513 58.748 61.300 -0.065 0.000 1.135 143 I CB 2.063 40.026 38.000 -0.062 0.000 1.288 143 I HN -0.179 nan 8.210 nan 0.000 0.448 144 P HA -0.020 nan 4.420 nan 0.000 0.266 144 P C 0.554 177.874 177.300 0.033 0.000 1.195 144 P CA 0.105 63.218 63.100 0.021 0.000 0.768 144 P CB 0.893 32.613 31.700 0.033 0.000 0.838 145 A N 3.890 126.724 122.820 0.023 0.000 2.024 145 A HA -0.220 4.105 4.320 0.009 0.000 0.220 145 A C 1.541 179.154 177.584 0.047 0.000 1.164 145 A CA 1.932 53.985 52.037 0.026 0.000 0.643 145 A CB -1.346 17.661 19.000 0.011 0.000 0.806 145 A HN 0.807 nan 8.150 nan 0.000 0.451 146 N N -1.357 117.378 118.700 0.057 0.000 2.383 146 N HA 0.030 4.775 4.740 0.009 0.000 0.192 146 N C 0.445 176.043 175.510 0.148 0.000 1.141 146 N CA 0.347 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 -0.016 120.258 120.200 0.123 0.000 2.651 147 E HA 0.176 4.531 4.350 0.009 0.000 0.208 147 E C 0.755 177.352 176.600 -0.005 0.000 0.997 147 E CA -0.326 56.131 56.400 0.094 0.000 1.020 147 E CB 0.340 30.087 29.700 0.077 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 4.353 4.480 0.009 0.000 0.264 148 M C 1.960 178.251 176.300 -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 31.650 32.600 0.057 0.000 1.401 148 M HN 0.371 nan 8.290 nan 0.000 0.440 149 H N -0.986 118.073 119.070 -0.019 0.000 2.561 149 H HA 0.017 4.579 4.556 0.009 0.000 0.278 149 H C 1.048 176.311 175.328 -0.109 0.000 1.014 149 H CA 0.752 56.748 56.048 -0.088 0.000 1.211 149 H CB -0.427 29.301 29.762 -0.056 0.000 1.365 149 H HN 0.358 nan 8.280 nan 0.000 0.594 150 K N 0.894 121.001 120.400 -0.488 0.000 2.393 150 K HA 0.192 4.517 4.320 0.009 0.000 0.193 150 K C 0.071 176.697 176.600 0.043 0.000 1.026 150 K CA -0.064 56.065 56.287 -0.264 0.000 1.064 150 K CB 1.072 33.373 32.500 -0.331 0.000 0.833 150 K HN 0.011 nan 8.250 nan 0.000 0.521 151 V N 2.174 122.101 119.914 0.022 0.000 2.432 151 V HA 0.177 4.302 4.120 0.009 0.000 0.275 151 V C -0.619 175.471 176.094 -0.007 0.000 1.043 151 V CA -0.408 61.984 62.300 0.152 0.000 0.925 151 V CB 0.216 32.117 31.823 0.131 0.000 0.985 151 V HN 0.035 nan 8.190 nan 0.000 0.466 152 Y N 2.932 123.277 120.300 0.075 0.000 2.633 152 Y HA 0.788 5.343 4.550 0.009 0.000 0.339 152 Y C 0.235 176.207 175.900 0.121 0.000 1.045 152 Y CA -1.000 57.143 58.100 0.072 0.000 1.098 152 Y CB 2.066 40.544 38.460 0.031 0.000 1.296 152 Y HN 0.851 nan 8.280 nan 0.000 0.494 153 C N -0.922 118.557 119.300 0.298 0.000 3.090 153 C HA 0.582 5.048 4.460 0.009 0.000 0.347 153 C C -1.762 173.403 174.990 0.293 0.000 1.147 153 C CA -0.997 58.184 59.018 0.272 0.000 1.305 153 C CB 1.303 29.131 27.740 0.148 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.765 125.394 120.400 0.382 0.000 2.313 154 D HA 0.446 5.091 4.640 0.009 0.000 0.239 154 D C -2.210 174.356 176.300 0.442 0.000 1.142 154 D CA -1.022 53.225 54.000 0.412 0.000 0.847 154 D CB 1.828 42.982 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 -0.784 176.733 177.300 0.360 0.000 1.274 155 P CA -0.422 62.844 63.100 0.277 0.000 0.770 155 P CB 0.428 32.222 31.700 0.157 0.000 0.867 156 W N 1.881 123.249 121.300 0.113 0.000 2.719 156 W HA 0.340 5.005 4.660 0.009 0.000 0.352 156 W C 0.609 177.243 176.519 0.192 0.000 1.085 156 W CA -0.205 57.255 57.345 0.192 0.000 1.187 156 W CB 0.999 30.538 29.460 0.131 0.000 1.417 156 W HN 0.244 nan 8.180 nan 0.000 0.557 157 T N -0.150 114.680 114.554 0.460 0.000 2.900 157 T HA 0.088 4.443 4.350 0.009 0.000 0.307 157 T C 0.827 175.656 174.700 0.215 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 0.003 0.000 0.979 157 T HN 0.538 nan 8.240 nan 0.000 0.544 158 I N 1.357 122.000 120.570 0.122 0.000 3.176 158 I HA 0.134 4.309 4.170 0.009 0.000 0.275 158 I C 1.716 177.869 176.117 0.059 0.000 1.298 158 I CA 1.227 62.576 61.300 0.082 0.000 1.445 158 I CB -1.041 36.985 38.000 0.043 0.000 1.075 158 I HN 1.173 nan 8.210 nan 0.000 0.482 159 G N 1.011 109.840 108.800 0.049 0.000 4.766 159 G HA2 -0.384 3.581 3.960 0.009 0.000 0.314 159 G HA3 -0.384 3.581 3.960 0.009 0.000 0.314 159 G C -0.050 174.954 174.900 0.174 0.000 1.427 159 G CA 0.564 45.645 45.100 -0.032 0.000 1.024 159 G HN 0.438 nan 8.290 nan 0.000 0.754 160 Y N 1.877 122.220 120.300 0.071 0.000 2.390 160 Y HA 0.570 5.126 4.550 0.009 0.000 0.324 160 Y C -2.151 173.809 175.900 0.100 0.000 1.151 160 Y CA -0.626 57.535 58.100 0.101 0.000 1.053 160 Y CB 1.973 40.489 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 4.770 4.640 0.009 0.000 0.252 161 D C 0.640 176.502 176.300 -0.730 0.000 1.222 161 D CA -0.227 53.502 54.000 -0.453 0.000 0.895 161 D CB 1.411 42.224 40.800 0.022 0.000 1.207 161 D HN 0.847 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 4.158 4.350 0.009 0.000 0.200 162 E C 0.799 177.187 176.600 -0.353 0.000 1.023 162 E CA 0.655 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 -0.878 119.310 120.500 -0.519 0.000 2.236 163 R HA 0.038 4.383 4.340 0.009 0.000 0.208 163 R C 1.176 176.870 176.300 -1.010 0.000 1.036 163 R CA 1.111 56.675 56.100 -0.893 0.000 1.001 163 R CB 0.083 29.483 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 4.966 4.660 0.009 0.000 0.272 164 W C 0.994 177.472 176.519 -0.069 0.000 0.984 164 W CA 0.431 57.712 57.345 -0.106 0.000 1.314 164 W CB -0.084 29.319 29.460 -0.095 0.000 0.945 164 W HN 0.202 nan 8.180 nan 0.000 0.596 165 G N 2.180 111.014 108.800 0.057 0.000 2.634 165 G HA2 -0.433 3.533 3.960 0.009 0.000 0.309 165 G HA3 -0.433 3.533 3.960 0.009 0.000 0.309 165 G C 0.814 175.839 174.900 0.209 0.000 1.265 165 G CA 2.334 47.534 45.100 0.168 0.000 0.998 165 G HN 0.154 nan 8.290 nan 0.000 0.551 166 T N -1.648 113.029 114.554 0.205 0.000 3.092 166 T HA 0.481 4.837 4.350 0.009 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 0.628 69.593 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 -0.031 3.935 3.960 0.009 0.000 0.220 167 G HA3 -0.031 3.935 3.960 0.009 0.000 0.220 167 G C 0.466 175.416 174.900 0.083 0.000 1.121 167 G CA 0.296 45.461 45.100 0.109 0.000 0.758 167 G HN 0.505 nan 8.290 nan 0.000 0.559 168 K N -0.655 119.790 120.400 0.076 0.000 2.464 168 K HA 0.351 4.676 4.320 0.009 0.000 0.253 168 K C -0.889 175.705 176.600 -0.009 0.000 0.933 168 K CA -0.904 55.388 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 3.021 123.507 120.500 -0.022 0.000 2.296 169 R HA 0.210 4.555 4.340 0.009 0.000 0.323 169 R C -0.977 175.296 176.300 -0.045 0.000 1.067 169 R CA -0.285 55.806 56.100 -0.014 0.000 0.946 169 R CB 0.233 30.526 30.300 -0.011 0.000 0.991 169 R HN 0.277 nan 8.270 nan 0.000 0.448 170 L N 2.942 124.142 121.223 -0.039 0.000 2.323 170 L HA 0.491 4.836 4.340 0.009 0.000 0.265 170 L C -0.380 176.485 176.870 -0.009 0.000 1.012 170 L CA -0.618 54.178 54.840 -0.075 0.000 0.820 170 L CB 2.087 44.053 42.059 -0.155 0.000 1.334 170 L HN 0.664 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 0.593 4.938 4.340 0.009 0.000 0.280 171 Q C -1.473 174.556 176.000 0.047 0.000 1.085 171 Q CA -0.835 55.007 55.803 0.064 0.000 0.807 171 Q CB 3.315 32.105 28.738 0.087 0.000 1.405 171 Q HN 0.621 nan 8.270 nan 0.000 0.419 172 Q N -0.070 119.790 119.800 0.101 0.000 2.345 172 Q HA 0.858 5.203 4.340 0.009 0.000 0.268 172 Q C -1.538 174.508 176.000 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 3.622 126.460 122.820 0.029 0.000 2.291 173 A HA 0.497 4.822 4.320 0.009 0.000 0.311 173 A C -0.635 176.910 177.584 -0.065 0.000 1.224 173 A CA -0.845 51.217 52.037 0.040 0.000 0.821 173 A CB 0.675 19.712 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 0.259 4.604 4.340 0.009 0.000 0.287 174 L C -0.375 176.391 176.870 -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 4.295 123.971 119.914 -0.397 0.000 2.546 175 V HA 0.294 4.420 4.120 0.009 0.000 0.284 175 V C -0.361 175.376 176.094 -0.595 0.000 1.050 175 V CA -0.235 61.843 62.300 -0.370 0.000 0.981 175 V CB 0.841 32.360 31.823 -0.506 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.754 123.060 120.300 0.010 0.000 2.665 176 Y HA 0.655 5.210 4.550 0.009 0.000 0.336 176 Y C -0.783 175.238 175.900 0.201 0.000 1.085 176 Y CA -0.985 57.147 58.100 0.053 0.000 1.096 176 Y CB 2.002 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 0.979 121.440 120.300 0.268 0.000 2.457 177 Y HA 0.662 5.217 4.550 0.009 0.000 0.343 177 Y C -1.305 174.737 175.900 0.237 0.000 0.994 177 Y CA -1.307 56.933 58.100 0.234 0.000 1.031 177 Y CB 1.418 39.995 38.460 0.195 0.000 1.246 177 Y HN 0.544 nan 8.280 nan 0.000 0.449 178 R N 3.371 123.516 120.500 -0.592 0.000 2.439 178 R HA 0.288 4.634 4.340 0.009 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 31.676 30.300 -0.664 0.000 1.171 178 R HN 0.904 nan 8.270 nan 0.000 0.449 179 S N 0.517 115.587 115.700 -1.050 0.000 2.428 179 S HA -0.089 4.386 4.470 0.009 0.000 0.230 179 S C 0.462 174.824 174.600 -0.396 0.000 1.014 179 S CA 0.682 58.541 58.200 -0.570 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 -0.466 0.000 2.857 180 D HA 0.231 4.876 4.640 0.009 0.000 0.227 180 D C 0.690 176.808 176.300 -0.303 0.000 1.192 180 D CA -0.549 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 1.475 121.571 120.200 -0.173 0.000 2.267 181 E HA -0.218 4.137 4.350 0.009 0.000 0.197 181 E C 0.086 176.550 176.600 -0.226 0.000 0.998 181 E CA 1.044 57.354 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 0.371 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 4.681 4.640 0.009 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 -0.240 0.000 0.856 182 D CB -0.047 40.627 40.800 -0.209 0.000 0.922 182 D HN 0.160 nan 8.370 nan 0.000 0.518 183 D N 0.172 120.352 120.400 -0.367 0.000 2.361 183 D HA 0.004 4.649 4.640 0.009 0.000 0.239 183 D C 0.167 176.231 176.300 -0.394 0.000 1.200 183 D CA 0.308 54.022 54.000 -0.477 0.000 0.915 183 D CB 0.861 41.224 40.800 -0.728 0.000 1.170 183 D HN -0.204 nan 8.370 nan 0.000 0.444 184 S N 0.112 115.609 115.700 -0.338 0.000 2.410 184 S HA 0.047 4.522 4.470 0.009 0.000 0.304 184 S C 1.195 175.745 174.600 -0.084 0.000 1.095 184 S CA -0.681 57.412 58.200 -0.179 0.000 1.089 184 S CB 0.498 63.625 63.200 -0.121 0.000 0.968 184 S HN 0.362 nan 8.310 nan 0.000 0.480 185 Q N 4.134 123.768 119.800 -0.277 0.000 2.291 185 Q HA -0.165 4.180 4.340 0.009 0.000 0.206 185 Q C 0.402 176.286 176.000 -0.193 0.000 0.976 185 Q CA 1.577 57.225 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 -0.018 0.000 2.569 186 Y HA -0.118 4.438 4.550 0.009 0.000 0.293 186 Y C 2.514 178.636 175.900 0.370 0.000 1.144 186 Y CA 1.213 59.363 58.100 0.083 0.000 1.321 186 Y CB -0.105 38.395 38.460 0.067 0.000 0.982 186 Y HN 0.366 nan 8.280 nan 0.000 0.558 187 S N -1.881 114.084 115.700 0.442 0.000 2.558 187 S HA -0.013 4.462 4.470 0.009 0.000 0.217 187 S C 0.135 174.809 174.600 0.124 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 2.258 121.398 119.070 0.118 0.000 2.336 188 H HA 0.462 5.023 4.556 0.009 0.000 0.230 188 H C -2.808 172.626 175.328 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 0.131 nan 4.420 nan 0.000 0.276 189 P C -0.112 177.033 177.300 -0.260 0.000 1.244 189 P CA -0.353 62.617 63.100 -0.218 0.000 0.801 189 P CB 2.056 33.586 31.700 -0.284 0.000 1.006 190 L N 1.278 122.273 121.223 -0.380 0.000 2.376 190 L HA 0.274 4.619 4.340 0.009 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 42.604 42.059 -0.399 0.000 1.290 190 L HN 0.374 nan 8.230 nan 0.000 0.462 191 D N -0.768 119.542 120.400 -0.151 0.000 2.349 191 D HA -0.023 4.622 4.640 0.009 0.000 0.215 191 D C 0.078 176.515 176.300 0.229 0.000 1.016 191 D CA 0.186 54.201 54.000 0.025 0.000 0.870 191 D CB -0.075 40.775 40.800 0.084 0.000 0.917 191 D HN 0.220 nan 8.370 nan 0.000 0.524 192 F N -0.675 119.323 119.950 0.079 0.000 2.497 192 F HA 0.620 5.152 4.527 0.009 0.000 0.331 192 F C -0.544 175.279 175.800 0.038 0.000 1.060 192 F CA -2.277 55.763 58.000 0.065 0.000 0.989 192 F CB 1.118 40.133 39.000 0.024 0.000 1.245 192 F HN -0.129 nan 8.300 nan 0.000 0.486 193 C N 3.784 123.184 119.300 0.168 0.000 2.455 193 C HA 0.620 5.086 4.460 0.009 0.000 0.321 193 C C -2.833 172.248 174.990 0.150 0.000 1.102 193 C CA -2.051 56.994 59.018 0.045 0.000 1.413 193 C CB 0.227 27.940 27.740 -0.044 0.000 1.952 193 C HN 0.666 nan 8.230 nan 0.000 0.428 194 P HA 0.320 nan 4.420 nan 0.000 0.275 194 P C -0.664 176.689 177.300 0.089 0.000 1.227 194 P CA -0.088 63.102 63.100 0.151 0.000 0.781 194 P CB 0.471 32.263 31.700 0.154 0.000 0.906 195 I N 3.636 124.255 120.570 0.083 0.000 2.339 195 I HA 0.257 4.432 4.170 0.009 0.000 0.290 195 I C -0.114 175.962 176.117 -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 5.276 125.145 119.914 -0.074 0.000 2.459 196 V HA 0.265 4.391 4.120 0.009 0.000 0.295 196 V C 0.106 176.137 176.094 -0.105 0.000 1.029 196 V CA -0.811 61.450 62.300 -0.066 0.000 0.874 196 V CB 2.198 34.015 31.823 -0.011 0.000 0.985 196 V HN 0.619 nan 8.190 nan 0.000 0.438 197 D N 3.275 123.610 120.400 -0.109 0.000 2.352 197 D HA 0.090 4.736 4.640 0.009 0.000 0.245 197 D C 1.229 177.494 176.300 -0.057 0.000 1.224 197 D CA 0.114 54.048 54.000 -0.109 0.000 0.879 197 D CB 1.678 42.418 40.800 -0.101 0.000 1.057 197 D HN 0.620 nan 8.370 nan 0.000 0.491 198 T N 3.168 117.696 114.554 -0.044 0.000 2.720 198 T HA -0.211 4.144 4.350 0.009 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 0.592 nan 8.240 nan 0.000 0.444 199 E N 0.582 120.766 120.200 -0.027 0.000 2.028 199 E HA -0.133 4.222 4.350 0.009 0.000 0.190 199 E C 1.981 178.568 176.600 -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 0.281 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 -0.065 4.290 4.350 0.009 0.000 0.198 200 E C -0.125 176.465 176.600 -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 29.697 29.700 -0.022 0.000 0.818 200 E HN 0.239 nan 8.360 nan 0.000 0.527 201 K N 1.070 121.459 120.400 -0.018 0.000 3.689 201 K HA -0.231 4.094 4.320 0.009 0.000 0.276 201 K C -0.275 176.318 176.600 -0.010 0.000 0.932 201 K CA 0.796 57.077 56.287 -0.011 0.000 0.758 201 K CB -1.527 30.969 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 4.796 4.320 0.009 0.000 0.269 202 K C -0.616 175.972 176.600 -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 3.398 123.306 119.914 -0.009 0.000 2.455 203 V HA 0.102 4.227 4.120 0.009 0.000 0.273 203 V C 1.216 177.309 176.094 -0.002 0.000 1.045 203 V CA -0.232 62.066 62.300 -0.004 0.000 0.976 203 V CB 0.291 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 1.580 122.142 120.570 -0.014 0.000 3.941 204 I HA 0.523 4.699 4.170 0.009 0.000 0.321 204 I C 0.147 176.386 176.117 0.204 0.000 1.284 204 I CA 0.506 61.825 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 0.954 120.895 119.950 -0.015 0.000 2.769 205 F HA 0.605 5.138 4.527 0.009 0.000 0.313 205 F C -1.980 173.867 175.800 0.078 0.000 1.146 205 F CA -0.964 57.084 58.000 0.080 0.000 0.934 205 F CB 1.633 40.769 39.000 0.228 0.000 1.283 205 F HN -0.239 nan 8.300 nan 0.000 0.443 206 I N 3.640 124.062 120.570 -0.247 0.000 2.478 206 I HA 0.281 4.456 4.170 0.009 0.000 0.287 206 I C -1.397 174.758 176.117 0.063 0.000 1.042 206 I CA -0.808 60.493 61.300 0.001 0.000 1.067 206 I CB 1.853 39.810 38.000 -0.072 0.000 1.233 206 I HN 0.352 nan 8.210 nan 0.000 0.431 207 D N 7.659 128.254 120.400 0.324 0.000 2.317 207 D HA 0.434 5.079 4.640 0.009 0.000 0.252 207 D C -0.280 176.173 176.300 0.254 0.000 1.174 207 D CA 0.297 54.526 54.000 0.382 0.000 0.866 207 D CB 1.702 42.737 40.800 0.392 0.000 1.127 207 D HN 0.301 nan 8.370 nan 0.000 0.467 208 I N 4.616 125.303 120.570 0.196 0.000 2.389 208 I HA 0.218 4.393 4.170 0.009 0.000 0.288 208 I C -1.854 174.352 176.117 0.150 0.000 0.999 208 I CA -1.869 59.525 61.300 0.155 0.000 1.129 208 I CB 2.050 40.078 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 -0.226 177.135 177.300 0.101 0.000 1.230 209 P CA -0.324 62.865 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 0.842 119.591 118.700 0.081 0.000 2.216 210 N HA -0.063 4.683 4.740 0.009 0.000 0.183 210 N C 0.554 176.100 175.510 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 1.747 122.296 120.500 0.082 0.000 2.210 211 R HA 0.222 4.568 4.340 0.009 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 0.851 31.208 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 4.616 4.340 0.009 0.000 0.305 212 R C -0.242 176.077 176.300 0.033 0.000 1.053 212 R CA -0.673 55.458 56.100 0.052 0.000 0.957 212 R CB 1.178 31.498 30.300 0.033 0.000 1.022 212 R HN 0.407 nan 8.270 nan 0.000 0.461 213 R N 1.876 122.391 120.500 0.024 0.000 2.451 213 R HA 0.315 4.660 4.340 0.009 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 4.603 4.320 0.009 0.000 0.258 214 K C -0.043 176.529 176.600 -0.046 0.000 1.010 214 K CA -0.709 55.563 56.287 -0.024 0.000 0.929 214 K CB 0.866 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 1.626 121.504 119.914 -0.059 0.000 2.843 215 V HA -0.117 4.008 4.120 0.009 0.000 0.305 215 V C 0.817 176.889 176.094 -0.037 0.000 1.120 215 V CA 0.150 62.408 62.300 -0.070 0.000 1.254 215 V CB 0.914 32.632 31.823 -0.175 0.000 0.901 215 V HN 0.815 nan 8.190 nan 0.000 0.503 216 S N 3.139 118.825 115.700 -0.024 0.000 2.562 216 S HA 0.143 4.618 4.470 0.009 0.000 0.281 216 S C 0.801 175.469 174.600 0.115 0.000 1.333 216 S CA -0.241 57.945 58.200 -0.023 0.000 1.052 216 S CB 0.371 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 2.100 122.521 120.400 0.035 0.000 2.358 217 K HA 0.115 4.440 4.320 0.009 0.000 0.197 217 K C -0.100 176.515 176.600 0.026 0.000 1.025 217 K CA -0.023 56.276 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 1.357 120.522 119.070 0.158 0.000 2.660 218 H HA 0.098 4.660 4.556 0.009 0.000 0.374 218 H C 0.074 175.610 175.328 0.346 0.000 1.291 218 H CA 0.123 56.276 56.048 0.174 0.000 1.437 218 H CB 0.561 30.361 29.762 0.062 0.000 1.509 218 H HN -0.147 nan 8.280 nan 0.000 0.614 219 K N 0.834 121.494 120.400 0.433 0.000 2.276 219 K HA 0.069 4.394 4.320 0.009 0.000 0.259 219 K C -0.440 176.457 176.600 0.495 0.000 1.001 219 K CA -0.184 56.332 56.287 0.382 0.000 0.927 219 K CB 0.222 32.891 32.500 0.282 0.000 0.969 219 K HN 0.510 nan 8.250 nan 0.000 0.490 220 H N -0.137 119.046 119.070 0.189 0.000 2.707 220 H HA 0.173 4.734 4.556 0.009 0.000 0.359 220 H C -0.280 175.033 175.328 -0.026 0.000 1.113 220 H CA 0.100 56.217 56.048 0.116 0.000 1.422 220 H CB 0.878 30.541 29.762 -0.164 0.000 1.443 220 H HN 0.667 nan 8.280 nan 0.000 0.591 221 A N 4.237 126.975 122.820 -0.137 0.000 2.527 221 A HA 0.203 4.528 4.320 0.009 0.000 0.313 221 A C -0.085 177.329 177.584 -0.284 0.000 1.410 221 A CA -0.673 51.155 52.037 -0.348 0.000 1.060 221 A CB -0.561 17.976 19.000 -0.772 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.980 119.515 118.700 -0.275 0.000 2.477 222 N HA 0.624 5.369 4.740 0.009 0.000 0.284 222 N C -0.170 175.232 175.510 -0.181 0.000 1.182 222 N CA -0.333 52.430 53.050 -0.479 0.000 0.949 222 N CB 1.151 38.987 38.487 -1.085 0.000 1.204 222 N HN 0.586 nan 8.380 nan 0.000 0.526 223 F N -2.311 117.654 119.950 0.025 0.000 2.856 223 F HA 0.443 4.975 4.527 0.009 0.000 0.338 223 F C -0.312 175.531 175.800 0.072 0.000 1.100 223 F CA -0.836 57.177 58.000 0.022 0.000 1.150 223 F CB -0.573 38.358 39.000 -0.115 0.000 1.101 223 F HN 0.195 nan 8.300 nan 0.000 0.548 224 Y N 2.551 122.985 120.300 0.222 0.000 2.314 224 Y HA 0.333 4.888 4.550 0.009 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 2.812 65.953 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 -1.008 119.357 120.400 -0.059 0.000 2.103 226 K HA -0.218 4.107 4.320 0.009 0.000 0.207 226 K C 1.768 178.323 176.600 -0.076 0.000 1.048 226 K CA 1.777 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 0.040 119.131 119.070 0.035 0.000 2.357 227 H HA 0.043 4.604 4.556 0.009 0.000 0.301 227 H C 2.203 177.552 175.328 0.036 0.000 1.082 227 H CA 1.425 57.485 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 0.271 119.973 119.600 0.170 0.000 2.117 228 M HA -0.118 4.367 4.480 0.009 0.000 0.262 228 M C 2.346 178.695 176.300 0.081 0.000 1.065 228 M CA 1.281 56.650 55.300 0.115 0.000 1.114 228 M CB -0.712 31.947 32.600 0.097 0.000 1.361 228 M HN 0.318 nan 8.290 nan 0.000 0.408 229 I N -0.205 120.402 120.570 0.062 0.000 2.264 229 I HA -0.298 3.877 4.170 0.009 0.000 0.248 229 I C 2.508 178.655 176.117 0.050 0.000 1.111 229 I CA 1.347 62.673 61.300 0.044 0.000 1.382 229 I CB -0.371 37.645 38.000 0.026 0.000 1.060 229 I HN 0.432 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 4.121 4.350 0.009 0.000 0.190 230 E C 2.178 178.823 176.600 0.075 0.000 0.979 230 E CA 0.833 57.273 56.400 0.066 0.000 0.814 230 E CB 0.193 29.940 29.700 0.078 0.000 0.762 230 E HN 0.322 nan 8.360 nan 0.000 0.460 231 K N 0.478 120.931 120.400 0.089 0.000 2.007 231 K HA -0.048 4.277 4.320 0.009 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 0.227 32.789 32.500 0.104 0.000 0.718 231 K HN 0.084 nan 8.250 nan 0.000 0.438 232 V N -2.918 117.038 119.914 0.069 0.000 3.096 232 V HA 0.514 4.639 4.120 0.009 0.000 0.319 232 V C 1.338 177.461 176.094 0.048 0.000 1.103 232 V CA -0.366 61.969 62.300 0.057 0.000 1.016 232 V CB 0.871 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 0.599 109.422 108.800 0.040 0.000 2.599 233 G HA2 0.213 4.178 3.960 0.009 0.000 0.219 233 G HA3 0.213 4.178 3.960 0.009 0.000 0.219 233 G C 0.557 175.476 174.900 0.031 0.000 1.193 233 G CA 1.937 47.057 45.100 0.033 0.000 0.778 233 G HN 1.926 nan 8.290 nan 0.000 0.589 234 A N -2.720 120.119 122.820 0.031 0.000 2.438 234 A HA 0.620 4.945 4.320 0.009 0.000 0.301 234 A C -0.574 177.026 177.584 0.028 0.000 1.101 234 A CA -0.606 51.448 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 4.826 4.480 0.009 0.000 0.316 235 M C 0.618 176.928 176.300 0.018 0.000 1.138 235 M CA 0.171 55.485 55.300 0.023 0.000 1.151 235 M CB 0.038 32.651 32.600 0.021 0.000 1.422 235 M HN 0.709 nan 8.290 nan 0.000 0.471 236 R N 0.797 121.306 120.500 0.016 0.000 2.582 236 R HA 0.354 4.699 4.340 0.009 0.000 0.271 236 R C -2.072 174.234 176.300 0.010 0.000 1.078 236 R CA -1.401 54.707 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 -0.053 nan 4.420 nan 0.000 0.268 237 P C -0.668 176.636 177.300 0.006 0.000 1.208 237 P CA -0.142 62.963 63.100 0.008 0.000 0.777 237 P CB 0.474 32.178 31.700 0.007 0.000 0.875 238 E N 1.413 121.617 120.200 0.006 0.000 2.465 238 E HA 0.267 4.622 4.350 0.009 0.000 0.260 238 E C -0.399 176.203 176.600 0.004 0.000 0.980 238 E CA 0.056 56.459 56.400 0.005 0.000 0.927 238 E CB 0.036 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 5.481 128.302 122.820 0.003 0.000 2.322 239 A HA 0.483 4.809 4.320 0.009 0.000 0.269 239 A C -2.070 175.516 177.584 0.002 0.000 1.094 239 A CA -1.385 50.653 52.037 0.002 0.000 0.807 239 A CB -0.112 18.889 19.000 0.000 0.000 1.047 239 A HN 0.645 nan 8.150 nan 0.000 0.487 240 P HA 0.177 nan 4.420 nan 0.000 0.262 240 P C -2.215 175.087 177.300 0.003 0.000 1.182 240 P CA -0.325 62.777 63.100 0.003 0.000 0.761 240 P CB -0.070 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 2.954 123.527 120.570 0.005 0.000 2.405 242 I HA 0.206 4.382 4.170 0.009 0.000 0.280 242 I C 0.153 176.276 176.117 0.010 0.000 1.027 242 I CA -0.620 60.684 61.300 0.007 0.000 1.161 242 I CB 0.742 38.745 38.000 0.005 0.000 1.300 242 I HN 0.187 nan 8.210 nan 0.000 0.463 243 N N 6.055 124.762 118.700 0.011 0.000 2.456 243 N HA 0.440 5.185 4.740 0.009 0.000 0.288 243 N C -0.722 174.800 175.510 0.019 0.000 1.059 243 N CA -0.372 52.687 53.050 0.014 0.000 0.946 243 N CB 2.853 41.348 38.487 0.014 0.000 1.150 243 N HN 0.160 nan 8.380 nan 0.000 0.479 244 V N 1.403 121.331 119.914 0.023 0.000 2.444 244 V HA 0.516 4.641 4.120 0.009 0.000 0.294 244 V C 0.038 176.152 176.094 0.034 0.000 1.022 244 V CA -0.602 61.717 62.300 0.032 0.000 0.850 244 V CB 1.482 33.329 31.823 0.040 0.000 0.992 244 V HN 0.871 nan 8.190 nan 0.000 0.426 245 T N 1.756 116.330 114.554 0.034 0.000 2.903 245 T HA 0.641 4.996 4.350 0.009 0.000 0.299 245 T C -0.833 173.888 174.700 0.035 0.000 1.093 245 T CA -0.818 61.301 62.100 0.032 0.000 1.002 245 T CB 2.288 71.170 68.868 0.024 0.000 1.127 245 T HN 0.497 nan 8.240 nan 0.000 0.488 246 Q N 1.923 121.743 119.800 0.033 0.000 2.907 246 Q HA 0.261 4.607 4.340 0.009 0.000 0.262 246 Q C -1.706 174.304 176.000 0.016 0.000 0.997 246 Q CA -2.074 53.747 55.803 0.030 0.000 0.797 246 Q CB 1.606 30.367 28.738 0.039 0.000 1.228 246 Q HN 0.592 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 0.002 0.000 1.148 247 P CA 1.349 64.454 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 -0.406 119.795 120.200 0.002 0.000 2.451 248 E HA 0.360 4.715 4.350 0.009 0.000 0.194 248 E C 0.926 177.515 176.600 -0.019 0.000 1.027 248 E CA 0.014 56.411 56.400 -0.006 0.000 0.914 248 E CB 0.135 29.833 29.700 -0.002 0.000 1.054 248 E HN 0.258 nan 8.360 nan 0.000 0.461 249 G N 0.843 109.629 108.800 -0.023 0.000 2.660 249 G HA2 -0.248 3.718 3.960 0.009 0.000 0.215 249 G HA3 -0.248 3.718 3.960 0.009 0.000 0.215 249 G C -0.078 174.781 174.900 -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 -2.650 117.163 119.914 -0.168 0.000 2.966 250 V HA 0.869 4.994 4.120 0.009 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 -0.221 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 1.100 116.796 115.700 -0.007 0.000 2.524 251 S HA 0.216 4.691 4.470 0.009 0.000 0.216 251 S C 0.465 175.172 174.600 0.177 0.000 0.987 251 S CA -0.100 58.149 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 1.517 121.618 119.950 0.252 0.000 2.375 252 F HA 0.738 5.270 4.527 0.009 0.000 0.333 252 F C -0.156 175.680 175.800 0.060 0.000 1.104 252 F CA -1.309 56.826 58.000 0.224 0.000 1.149 252 F CB 0.773 39.869 39.000 0.159 0.000 1.190 252 F HN -0.081 nan 8.300 nan 0.000 0.533 253 K N 4.947 125.486 120.400 0.233 0.000 2.463 253 K HA 0.481 4.806 4.320 0.009 0.000 0.255 253 K C -1.593 175.050 176.600 0.072 0.000 0.942 253 K CA -0.686 55.654 56.287 0.089 0.000 0.814 253 K CB 1.308 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 2.770 122.398 119.600 0.046 0.000 2.294 254 M HA 0.252 4.737 4.480 0.009 0.000 0.335 254 M C -0.764 175.532 176.300 -0.005 0.000 1.079 254 M CA -0.613 54.659 55.300 -0.047 0.000 0.982 254 M CB 2.210 34.704 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 0.538 4.893 4.350 0.009 0.000 0.367 255 T C 0.583 175.302 174.700 0.031 0.000 1.229 255 T CA 0.228 62.342 62.100 0.025 0.000 1.104 255 T CB 0.825 69.715 68.868 0.037 0.000 1.083 255 T HN 1.082 nan 8.240 nan 0.000 0.524 256 G N 4.037 112.862 108.800 0.042 0.000 2.536 256 G HA2 -0.296 3.669 3.960 0.009 0.000 0.277 256 G HA3 -0.296 3.669 3.960 0.009 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 0.523 119.169 118.700 -0.091 0.000 2.236 257 N HA 0.216 4.962 4.740 0.009 0.000 0.196 257 N C 0.450 175.723 175.510 -0.396 0.000 1.114 257 N CA 0.614 53.489 53.050 -0.293 0.000 0.859 257 N CB 1.040 39.230 38.487 -0.495 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 4.312 4.120 0.009 0.000 0.271 258 V C 0.302 176.219 176.094 -0.295 0.000 1.046 258 V CA -0.385 61.792 62.300 -0.204 0.000 0.945 258 V CB 1.074 32.894 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 0.525 5.011 4.480 0.009 0.000 0.343 259 M C -0.570 175.444 176.300 -0.476 0.000 1.165 259 M CA 0.132 55.044 55.300 -0.648 0.000 1.046 259 M CB 1.389 33.240 32.600 -1.248 0.000 1.648 259 M HN 0.654 nan 8.290 nan 0.000 0.452 260 E N 3.696 123.783 120.200 -0.189 0.000 2.265 260 E HA 0.437 4.793 4.350 0.009 0.000 0.262 260 E C -2.228 174.474 176.600 0.170 0.000 0.889 260 E CA -0.288 56.097 56.400 -0.024 0.000 0.789 260 E CB 1.746 31.439 29.700 -0.012 0.000 1.221 260 E HN 0.771 nan 8.360 nan 0.000 0.414 261 W N 2.443 123.747 121.300 0.007 0.000 3.624 261 W HA 0.195 4.860 4.660 0.008 0.000 0.312 261 W C -0.178 176.432 176.519 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 31.110 29.460 0.114 0.000 1.321 261 W HN 0.440 nan 8.180 nan 0.000 0.506 262 S N 5.108 120.370 115.700 -0.730 0.000 3.410 262 S HA -0.333 4.142 4.470 0.009 0.000 0.369 262 S C 0.837 175.143 174.600 -0.490 0.000 0.961 262 S CA 2.003 59.734 58.200 -0.783 0.000 1.248 262 S CB -1.306 61.006 63.200 -1.480 0.000 0.914 262 S HN 0.997 nan 8.310 nan 0.000 0.497 263 N N -2.206 116.237 118.700 -0.430 0.000 2.967 263 N HA -0.176 4.569 4.740 0.009 0.000 0.218 263 N C -0.175 175.012 175.510 -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 -1.294 0.000 1.027 263 N HN 0.566 nan 8.380 nan 0.000 0.603 264 F N 1.575 121.466 119.950 -0.099 0.000 2.389 264 F HA 0.423 4.955 4.527 0.008 0.000 0.337 264 F C 0.944 176.819 175.800 0.125 0.000 1.112 264 F CA 0.237 58.343 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 4.341 124.993 120.400 0.420 0.000 2.535 265 K HA 0.582 4.907 4.320 0.009 0.000 0.250 265 K C -1.812 174.973 176.600 0.309 0.000 0.948 265 K CA -0.482 55.914 56.287 0.181 0.000 0.796 265 K CB 1.440 34.006 32.500 0.109 0.000 1.216 265 K HN 0.509 nan 8.250 nan 0.000 0.432 266 F N -0.310 119.646 119.950 0.010 0.000 2.741 266 F HA 0.385 4.917 4.527 0.009 0.000 0.311 266 F C -1.515 174.266 175.800 -0.032 0.000 1.149 266 F CA -1.169 56.834 58.000 0.005 0.000 0.930 266 F CB 0.941 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 2.664 121.770 119.070 0.061 0.000 2.488 267 H HA 0.528 5.089 4.556 0.009 0.000 0.322 267 H C -1.092 174.221 175.328 -0.026 0.000 1.078 267 H CA -0.548 55.424 56.048 -0.127 0.000 1.260 267 H CB 1.420 31.008 29.762 -0.289 0.000 1.425 267 H HN 0.740 nan 8.280 nan 0.000 0.471 268 I N 5.792 126.059 120.570 -0.505 0.000 2.287 268 I HA 0.198 4.373 4.170 0.009 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 0.840 38.728 38.000 -0.187 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 0.690 4.655 3.960 0.009 0.000 0.302 269 G HA3 0.690 4.655 3.960 0.009 0.000 0.302 269 G C -1.439 173.576 174.900 0.191 0.000 1.311 269 G CA -0.296 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 0.426 120.394 119.950 0.031 0.000 2.669 270 F HA 0.420 4.953 4.527 0.009 0.000 0.315 270 F C -1.231 174.636 175.800 0.110 0.000 1.109 270 F CA -0.950 57.075 58.000 0.043 0.000 1.028 270 F CB 1.814 40.830 39.000 0.027 0.000 1.287 270 F HN 0.823 nan 8.300 nan 0.000 0.452 271 N N 2.313 120.924 118.700 -0.149 0.000 2.647 271 N HA 0.258 5.003 4.740 0.009 0.000 0.266 271 N C 0.121 175.582 175.510 -0.081 0.000 1.373 271 N CA -0.510 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 0.514 nan 8.380 nan 0.000 0.505 272 Y N -1.044 119.166 120.300 -0.149 0.000 2.365 272 Y HA 0.039 4.594 4.550 0.009 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 -0.847 0.000 1.260 272 Y CB -0.345 37.232 38.460 -1.472 0.000 0.976 272 Y HN 0.653 nan 8.280 nan 0.000 0.548 273 R N 0.346 119.971 120.500 -1.457 0.000 2.064 273 R HA 0.085 4.430 4.340 0.009 0.000 0.210 273 R C 1.984 177.865 176.300 -0.699 0.000 1.221 273 R CA 0.978 56.340 56.100 -1.230 0.000 1.055 273 R CB 0.016 29.387 30.300 -1.548 0.000 0.946 273 R HN 0.397 nan 8.270 nan 0.000 0.459 274 E N -0.163 119.733 120.200 -0.508 0.000 2.358 274 E HA 0.128 4.483 4.350 0.009 0.000 0.195 274 E C 0.861 177.242 176.600 -0.364 0.000 1.010 274 E CA 0.413 56.631 56.400 -0.304 0.000 0.856 274 E CB 0.380 29.994 29.700 -0.143 0.000 0.795 274 E HN 0.566 nan 8.360 nan 0.000 0.504 275 G N 1.897 110.314 108.800 -0.638 0.000 2.523 275 G HA2 -0.337 3.628 3.960 0.009 0.000 0.271 275 G HA3 -0.337 3.628 3.960 0.009 0.000 0.271 275 G C 0.066 174.413 174.900 -0.923 0.000 1.146 275 G CA -0.196 44.300 45.100 -1.007 0.000 0.961 275 G HN 0.188 nan 8.290 nan 0.000 0.549 276 I N 1.163 121.554 120.570 -0.298 0.000 2.683 276 I HA 0.336 4.511 4.170 0.009 0.000 0.286 276 I C 0.308 176.277 176.117 -0.247 0.000 1.175 276 I CA 0.098 61.362 61.300 -0.060 0.000 1.429 276 I CB 0.807 38.851 38.000 0.074 0.000 1.371 276 I HN 0.330 nan 8.210 nan 0.000 0.569 277 V N 7.940 127.721 119.914 -0.222 0.000 2.482 277 V HA 0.354 4.480 4.120 0.009 0.000 0.295 277 V C -0.110 175.833 176.094 -0.253 0.000 1.026 277 V CA -0.553 61.585 62.300 -0.269 0.000 0.856 277 V CB 1.657 33.387 31.823 -0.154 0.000 1.001 277 V HN 0.446 nan 8.190 nan 0.000 0.424 278 L N 4.282 125.266 121.223 -0.399 0.000 2.264 278 L HA 0.672 5.017 4.340 0.009 0.000 0.289 278 L C 0.213 176.985 176.870 -0.164 0.000 1.044 278 L CA 0.154 54.842 54.840 -0.254 0.000 0.807 278 L CB 1.544 43.352 42.059 -0.419 0.000 1.192 278 L HN 0.628 nan 8.230 nan 0.000 0.425 279 S N 0.670 116.352 115.700 -0.030 0.000 2.634 279 S HA 0.307 4.783 4.470 0.009 0.000 0.296 279 S C -0.470 174.136 174.600 0.010 0.000 1.104 279 S CA -0.629 57.497 58.200 -0.124 0.000 0.920 279 S CB 1.749 64.784 63.200 -0.275 0.000 1.111 279 S HN 0.743 nan 8.310 nan 0.000 0.493 280 D N 0.946 121.303 120.400 -0.073 0.000 2.697 280 D HA -0.142 4.503 4.640 0.009 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 -1.169 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 4.643 4.120 0.009 0.000 0.273 281 V C 0.920 177.158 176.094 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 4.615 120.509 115.700 0.323 0.000 2.661 282 S HA 0.784 5.259 4.470 0.009 0.000 0.285 282 S C -1.352 173.467 174.600 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 0.172 0.000 2.373 283 Y HA 0.500 5.056 4.550 0.009 0.000 0.336 283 Y C -0.622 175.335 175.900 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 0.081 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 4.759 4.740 0.009 0.000 0.250 284 N C -1.171 174.256 175.510 -0.138 0.000 1.127 284 N CA 0.160 53.091 53.050 -0.199 0.000 0.945 284 N CB 0.311 38.648 38.487 -0.249 0.000 1.196 284 N HN 0.694 nan 8.380 nan 0.000 0.499 285 D N 2.656 123.169 120.400 0.189 0.000 2.522 285 D HA 0.086 4.731 4.640 0.009 0.000 0.218 285 D C -0.396 175.990 176.300 0.144 0.000 1.149 285 D CA -0.107 54.065 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 1.626 120.744 119.070 0.079 0.000 2.604 286 H HA -0.198 4.363 4.556 0.009 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 -1.006 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 -0.148 108.685 108.800 0.055 0.000 2.279 287 G HA2 -0.342 3.624 3.960 0.009 0.000 0.223 287 G HA3 -0.342 3.624 3.960 0.009 0.000 0.223 287 G C 0.264 175.186 174.900 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 0.861 119.597 118.700 0.061 0.000 2.469 288 N HA 0.420 5.165 4.740 0.009 0.000 0.239 288 N C 0.076 175.630 175.510 0.074 0.000 1.053 288 N CA -0.359 52.724 53.050 0.055 0.000 0.937 288 N CB 0.668 39.189 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 4.264 4.120 0.009 0.000 0.262 289 V C 0.436 176.590 176.094 0.100 0.000 1.047 289 V CA 0.014 62.358 62.300 0.072 0.000 1.003 289 V CB -0.108 31.741 31.823 0.043 0.000 1.037 289 V HN 0.601 nan 8.190 nan 0.000 0.480 290 R N 5.893 126.496 120.500 0.171 0.000 2.338 290 R HA 0.460 4.805 4.340 0.009 0.000 0.317 290 R C -2.739 173.697 176.300 0.226 0.000 0.968 290 R CA -1.857 54.355 56.100 0.187 0.000 0.849 290 R CB 1.481 31.907 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 -0.082 177.247 177.300 0.049 0.000 1.223 291 P CA 0.061 63.231 63.100 0.118 0.000 0.784 291 P CB 0.868 32.627 31.700 0.098 0.000 0.923 292 I N -0.498 119.993 120.570 -0.132 0.000 3.669 292 I HA 0.214 4.389 4.170 0.009 0.000 0.255 292 I C -0.125 175.572 176.117 -0.701 0.000 1.144 292 I CA 0.426 61.355 61.300 -0.617 0.000 1.447 292 I CB 0.243 37.650 38.000 -0.988 0.000 1.622 292 I HN 0.121 nan 8.210 nan 0.000 0.435 293 F N 0.193 120.087 119.950 -0.093 0.000 2.565 293 F HA 0.365 4.897 4.527 0.008 0.000 0.313 293 F C 0.997 176.793 175.800 -0.007 0.000 1.091 293 F CA -0.932 57.019 58.000 -0.081 0.000 0.915 293 F CB 0.857 39.764 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 4.852 4.556 0.009 0.000 0.282 294 H C 0.057 175.373 175.328 -0.021 0.000 1.003 294 H CA 0.870 56.937 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 0.391 120.833 120.500 -0.097 0.000 2.579 295 R HA 0.352 4.697 4.340 0.009 0.000 0.260 295 R C -2.203 173.959 176.300 -0.231 0.000 1.103 295 R CA -0.461 55.512 56.100 -0.211 0.000 0.942 295 R CB 1.712 31.888 30.300 -0.206 0.000 1.251 295 R HN 0.216 nan 8.270 nan 0.000 0.450 296 I N 2.797 123.180 120.570 -0.312 0.000 2.692 296 I HA 0.618 4.793 4.170 0.009 0.000 0.293 296 I C -1.465 174.391 176.117 -0.435 0.000 1.200 296 I CA -0.088 60.982 61.300 -0.383 0.000 1.036 296 I CB 2.108 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 6.206 121.768 115.700 -0.230 0.000 2.656 297 S HA 0.509 4.985 4.470 0.009 0.000 0.265 297 S C -1.722 172.982 174.600 0.174 0.000 1.132 297 S CA -1.067 57.075 58.200 -0.096 0.000 0.819 297 S CB 1.007 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 2.649 124.023 121.223 0.250 0.000 2.264 298 L HA 0.488 4.833 4.340 0.009 0.000 0.289 298 L C 1.244 178.163 176.870 0.081 0.000 1.044 298 L CA -0.201 54.761 54.840 0.202 0.000 0.807 298 L CB 1.706 43.913 42.059 0.247 0.000 1.192 298 L HN 1.025 nan 8.230 nan 0.000 0.425 299 S N 0.802 116.533 115.700 0.051 0.000 2.503 299 S HA 0.190 4.665 4.470 0.009 0.000 0.215 299 S C 0.322 174.933 174.600 0.018 0.000 1.003 299 S CA -0.155 58.104 58.200 0.099 0.000 0.910 299 S CB 0.473 63.780 63.200 0.179 0.000 0.790 299 S HN 0.662 nan 8.310 nan 0.000 0.514 300 E N -0.673 119.422 120.200 -0.175 0.000 2.417 300 E HA 0.666 5.021 4.350 0.009 0.000 0.280 300 E C -1.775 174.650 176.600 -0.292 0.000 1.112 300 E CA -0.448 55.785 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 1.380 120.922 119.600 -0.098 0.000 2.644 301 M HA 0.635 5.120 4.480 0.009 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 35.034 32.600 -0.236 0.000 1.708 301 M HN 0.578 nan 8.290 nan 0.000 0.471 302 I N 0.884 121.515 120.570 0.102 0.000 2.710 302 I HA 0.432 4.607 4.170 0.009 0.000 0.290 302 I C -1.707 174.381 176.117 -0.048 0.000 1.318 302 I CA -0.583 60.755 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 0.347 4.472 4.120 0.009 0.000 0.264 303 V C -2.249 173.882 176.094 0.061 0.000 1.067 303 V CA -1.266 61.007 62.300 -0.045 0.000 0.903 303 V CB 0.754 32.589 31.823 0.020 0.000 1.136 303 V HN 0.513 nan 8.190 nan 0.000 0.456 304 P HA 0.255 nan 4.420 nan 0.000 0.282 304 P C -0.618 176.676 177.300 -0.010 0.000 1.274 304 P CA -0.109 63.034 63.100 0.072 0.000 0.770 304 P CB 0.797 32.472 31.700 -0.041 0.000 0.867 305 F N 1.738 121.734 119.950 0.077 0.000 2.371 305 F HA 0.409 4.941 4.527 0.009 0.000 0.329 305 F C 1.910 177.699 175.800 -0.019 0.000 1.107 305 F CA 0.480 58.522 58.000 0.069 0.000 1.137 305 F CB 0.769 39.811 39.000 0.070 0.000 1.214 305 F HN 0.381 nan 8.300 nan 0.000 0.536 306 G N 0.449 109.306 108.800 0.095 0.000 3.434 306 G HA2 0.070 4.036 3.960 0.009 0.000 0.258 306 G HA3 0.070 4.036 3.960 0.009 0.000 0.258 306 G C -0.024 174.792 174.900 -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 0.452 4.928 4.470 0.009 0.000 0.281 307 S C -0.845 173.467 174.600 -0.481 0.000 1.198 307 S CA -1.419 56.482 58.200 -0.498 0.000 1.063 307 S CB 1.887 64.637 63.200 -0.750 0.000 0.972 307 S HN 0.088 nan 8.310 nan 0.000 0.486 308 P HA 0.066 nan 4.420 nan 0.000 0.236 308 P C -0.294 176.862 177.300 -0.241 0.000 1.177 308 P CA 0.217 63.046 63.100 -0.451 0.000 0.773 308 P CB 0.120 31.478 31.700 -0.569 0.000 0.878 309 E N 0.167 120.255 120.200 -0.188 0.000 2.360 309 E HA 0.112 4.467 4.350 0.009 0.000 0.269 309 E C -0.351 176.155 176.600 -0.156 0.000 1.022 309 E CA -0.677 55.690 56.400 -0.055 0.000 0.887 309 E CB 0.338 30.079 29.700 0.067 0.000 0.990 309 E HN 0.048 nan 8.360 nan 0.000 0.426 310 F N 4.909 124.713 119.950 -0.243 0.000 2.529 310 F HA 0.074 4.606 4.527 0.009 0.000 0.365 310 F C -1.396 174.088 175.800 -0.527 0.000 1.102 310 F CA -1.538 56.286 58.000 -0.293 0.000 1.271 310 F CB 0.843 39.745 39.000 -0.164 0.000 1.120 310 F HN 0.314 nan 8.300 nan 0.000 0.579 311 P HA 0.148 nan 4.420 nan 0.000 0.257 311 P C -0.150 176.685 177.300 -0.774 0.000 1.737 311 P CA 0.206 62.496 63.100 -1.351 0.000 1.130 311 P CB -0.374 30.591 31.700 -1.224 0.000 1.572 312 H N 0.498 119.306 119.070 -0.438 0.000 2.561 312 H HA -0.091 4.470 4.556 0.009 0.000 0.278 312 H C 2.272 177.462 175.328 -0.229 0.000 1.014 312 H CA 0.686 56.522 56.048 -0.354 0.000 1.211 312 H CB 0.122 29.667 29.762 -0.361 0.000 1.365 312 H HN 0.244 nan 8.280 nan 0.000 0.594 313 Q N 1.648 121.361 119.800 -0.145 0.000 2.369 313 Q HA -0.112 4.233 4.340 0.009 0.000 0.206 313 Q C 1.299 177.362 176.000 0.105 0.000 0.963 313 Q CA 1.016 56.794 55.803 -0.041 0.000 0.894 313 Q CB -0.061 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 0.879 121.370 120.500 -0.016 0.000 2.319 314 R HA 0.164 4.509 4.340 0.009 0.000 0.204 314 R C 0.081 176.385 176.300 0.007 0.000 0.954 314 R CA 0.131 56.249 56.100 0.030 0.000 1.066 314 R CB 0.273 30.506 30.300 -0.111 0.000 0.991 314 R HN 0.139 nan 8.270 nan 0.000 0.486 315 K N 1.961 122.410 120.400 0.082 0.000 2.296 315 K HA 0.098 4.424 4.320 0.009 0.000 0.257 315 K C -0.407 176.470 176.600 0.462 0.000 1.088 315 K CA -0.130 56.236 56.287 0.132 0.000 0.980 315 K CB 0.514 32.843 32.500 -0.284 0.000 1.430 315 K HN 0.294 nan 8.250 nan 0.000 0.441 316 H N 0.117 119.402 119.070 0.358 0.000 3.080 316 H HA 0.191 4.753 4.556 0.009 0.000 0.211 316 H C -0.745 174.703 175.328 0.200 0.000 1.359 316 H CA -0.704 55.496 56.048 0.253 0.000 1.322 316 H CB -0.607 29.222 29.762 0.112 0.000 2.164 316 H HN 0.352 nan 8.280 nan 0.000 0.526 317 A N 1.879 124.809 122.820 0.182 0.000 2.546 317 A HA 0.309 4.635 4.320 0.009 0.000 0.243 317 A C 0.183 177.778 177.584 0.018 0.000 1.063 317 A CA -0.194 51.861 52.037 0.030 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 3.555 124.749 121.223 -0.049 0.000 2.494 318 L HA 0.208 4.553 4.340 0.009 0.000 0.251 318 L C 0.710 177.499 176.870 -0.136 0.000 1.119 318 L CA -0.056 54.774 54.840 -0.016 0.000 1.026 318 L CB 0.606 42.696 42.059 0.052 0.000 1.370 318 L HN 0.755 nan 8.230 nan 0.000 0.426 319 D N 1.251 121.596 120.400 -0.091 0.000 2.133 319 D HA -0.259 4.386 4.640 0.009 0.000 0.192 319 D C 2.030 178.230 176.300 -0.166 0.000 1.001 319 D CA 1.785 55.762 54.000 -0.039 0.000 0.844 319 D CB 0.278 41.103 40.800 0.041 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 3.997 4.170 0.009 0.000 0.240 320 I C 2.561 178.468 176.117 -0.350 0.000 1.078 320 I CA 1.527 62.634 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 -0.382 108.247 108.800 -0.284 0.000 2.572 321 G HA2 -0.100 3.866 3.960 0.009 0.000 0.216 321 G HA3 -0.100 3.866 3.960 0.009 0.000 0.216 321 G C 1.431 176.187 174.900 -0.239 0.000 1.133 321 G CA 0.187 45.114 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 4.491 4.350 0.009 0.000 0.200 322 E C 0.887 177.161 176.600 -0.544 0.000 0.995 322 E CA 0.255 56.375 56.400 -0.467 0.000 0.915 322 E CB 0.366 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 -0.426 119.830 120.300 -0.074 0.000 2.640 323 Y HA 0.344 4.899 4.550 0.009 0.000 0.274 323 Y C 0.781 176.668 175.900 -0.022 0.000 1.164 323 Y CA 0.232 58.311 58.100 -0.034 0.000 1.189 323 Y CB 1.057 39.473 38.460 -0.073 0.000 1.333 323 Y HN -0.042 nan 8.280 nan 0.000 0.494 324 G N 0.747 109.495 108.800 -0.087 0.000 3.421 324 G HA2 0.157 4.122 3.960 0.009 0.000 0.686 324 G HA3 0.157 4.122 3.960 0.009 0.000 0.686 324 G C 0.614 175.260 174.900 -0.423 0.000 1.056 324 G CA -0.259 44.643 45.100 -0.330 0.000 0.891 324 G HN 0.620 nan 8.290 nan 0.000 0.514 325 A N 1.332 123.769 122.820 -0.638 0.000 2.067 325 A HA 0.343 4.669 4.320 0.009 0.000 0.219 325 A C 2.582 179.932 177.584 -0.390 0.000 1.158 325 A CA 2.435 53.956 52.037 -0.859 0.000 0.661 325 A CB -0.359 18.183 19.000 -0.764 0.000 0.801 325 A HN 2.148 nan 8.150 nan 0.000 0.452 326 G N -1.495 107.081 108.800 -0.374 0.000 2.404 326 G HA2 -0.079 3.886 3.960 0.009 0.000 0.213 326 G HA3 -0.079 3.886 3.960 0.009 0.000 0.213 326 G C 1.381 176.373 174.900 0.155 0.000 1.189 326 G CA 0.854 45.934 45.100 -0.035 0.000 0.796 326 G HN 0.424 nan 8.290 nan 0.000 0.532 327 Y N 0.724 120.858 120.300 -0.276 0.000 2.256 327 Y HA 0.022 4.577 4.550 0.009 0.000 0.288 327 Y C 2.842 178.761 175.900 0.030 0.000 1.155 327 Y CA 0.692 58.652 58.100 -0.233 0.000 1.203 327 Y CB -0.337 37.995 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 0.184 0.000 2.561 328 M HA 0.004 4.490 4.480 0.009 0.000 0.238 328 M C 0.806 177.293 176.300 0.311 0.000 1.131 328 M CA 0.257 55.681 55.300 0.206 0.000 1.046 328 M CB -0.077 32.626 32.600 0.171 0.000 1.532 328 M HN -0.122 nan 8.290 nan 0.000 0.497 329 T N 2.202 116.968 114.554 0.352 0.000 2.916 329 T HA 0.073 4.428 4.350 0.009 0.000 0.303 329 T C 0.125 174.994 174.700 0.282 0.000 1.025 329 T CA -0.080 62.256 62.100 0.393 0.000 1.142 329 T CB 0.241 69.408 68.868 0.499 0.000 0.947 329 T HN 0.212 nan 8.240 nan 0.000 0.544 330 N N 5.327 124.163 118.700 0.226 0.000 2.499 330 N HA 0.342 5.087 4.740 0.009 0.000 0.281 330 N C -2.642 172.925 175.510 0.094 0.000 1.098 330 N CA -1.808 51.327 53.050 0.142 0.000 0.979 330 N CB 0.943 39.495 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 0.430 177.720 177.300 -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 4.325 4.340 0.009 0.000 0.226 332 L C 2.177 179.018 176.870 -0.048 0.000 1.137 332 L CA 1.056 55.911 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 0.301 115.866 115.700 -0.224 0.000 2.460 333 S HA -0.209 4.267 4.470 0.009 0.000 0.241 333 S C 1.392 175.940 174.600 -0.087 0.000 1.051 333 S CA 1.332 59.373 58.200 -0.265 0.000 1.223 333 S CB -0.228 62.830 63.200 -0.236 0.000 1.160 333 S HN 0.261 nan 8.310 nan 0.000 0.424 334 L N -0.363 120.829 121.223 -0.052 0.000 2.636 334 L HA 0.346 4.691 4.340 0.009 0.000 0.163 334 L C 2.324 179.199 176.870 0.009 0.000 1.052 334 L CA 0.237 55.070 54.840 -0.012 0.000 1.170 334 L CB -0.998 41.058 42.059 -0.005 0.000 1.864 334 L HN 0.657 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 3.573 3.960 0.009 0.000 0.246 335 G HA3 -0.392 3.573 3.960 0.009 0.000 0.246 335 G C 0.728 175.640 174.900 0.019 0.000 1.058 335 G CA 0.347 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 -0.405 118.910 119.300 0.026 0.000 4.588 336 C HA -0.158 4.308 4.460 0.009 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 -2.473 25.276 27.740 0.016 0.000 1.224 336 C HN 0.816 nan 8.230 nan 0.000 0.779 337 D N -0.335 120.090 120.400 0.041 0.000 2.149 337 D HA 0.038 4.683 4.640 0.009 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 0.062 0.000 0.966 337 D HN 0.659 nan 8.370 nan 0.000 0.476 338 c N 1.910 120.525 118.600 0.025 0.000 2.258 338 c HA 0.360 4.936 4.570 0.009 0.000 0.321 338 c C 0.095 174.111 174.090 -0.124 0.000 1.168 338 c CA -1.540 54.731 56.329 -0.096 0.000 1.531 338 c CB -0.410 42.035 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 0.618 4.944 4.320 0.009 0.000 0.276 339 K C 0.625 177.170 176.600 -0.093 0.000 1.013 339 K CA 0.738 56.980 56.287 -0.075 0.000 0.913 339 K CB 0.728 33.214 32.500 -0.024 0.000 1.055 339 K HN 1.051 nan 8.250 nan 0.000 0.461 340 G N 1.028 109.809 108.800 -0.031 0.000 2.447 340 G HA2 -0.190 3.776 3.960 0.009 0.000 0.220 340 G HA3 -0.190 3.776 3.960 0.009 0.000 0.220 340 G C -1.190 173.718 174.900 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 2.109 122.059 119.914 0.059 0.000 2.370 341 V HA 0.361 4.486 4.120 0.009 0.000 0.257 341 V C 0.639 176.785 176.094 0.087 0.000 1.064 341 V CA -0.246 62.092 62.300 0.064 0.000 0.975 341 V CB 0.140 32.006 31.823 0.071 0.000 1.067 341 V HN 0.543 nan 8.190 nan 0.000 0.485 342 I N 4.177 124.738 120.570 -0.015 0.000 2.498 342 I HA 0.461 4.637 4.170 0.009 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 1.430 39.132 38.000 -0.497 0.000 1.362 342 I HN 0.533 nan 8.210 nan 0.000 0.471 343 H N 5.492 124.417 119.070 -0.241 0.000 2.589 343 H HA 0.434 4.996 4.556 0.009 0.000 0.335 343 H C -1.663 173.492 175.328 -0.289 0.000 1.019 343 H CA -0.324 55.654 56.048 -0.116 0.000 1.213 343 H CB 1.093 30.944 29.762 0.147 0.000 1.472 343 H HN 0.364 nan 8.280 nan 0.000 0.508 344 Y N 3.490 123.793 120.300 0.006 0.000 2.534 344 Y HA 0.466 5.021 4.550 0.009 0.000 0.329 344 Y C 0.038 175.959 175.900 0.036 0.000 1.154 344 Y CA -0.800 57.318 58.100 0.030 0.000 1.192 344 Y CB 1.691 40.120 38.460 -0.051 0.000 1.275 344 Y HN 0.399 nan 8.280 nan 0.000 0.491 345 L N 1.885 123.207 121.223 0.166 0.000 2.401 345 L HA 0.452 4.797 4.340 0.009 0.000 0.266 345 L C -1.244 175.545 176.870 -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 5.310 4.640 0.009 0.000 0.249 346 D C -0.420 175.490 176.300 -0.652 0.000 1.008 346 D CA -0.200 53.572 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 0.555 nan 8.370 nan 0.000 0.468 347 A N 1.242 123.584 122.820 -0.798 0.000 2.355 347 A HA 0.594 4.919 4.320 0.009 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 1.052 19.553 19.000 -0.831 0.000 1.254 347 A HN 0.556 nan 8.150 nan 0.000 0.453 348 H N 1.209 119.947 119.070 -0.553 0.000 2.609 348 H HA 0.643 5.204 4.556 0.009 0.000 0.344 348 H C -1.402 173.710 175.328 -0.359 0.000 1.040 348 H CA -0.219 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 -0.092 120.017 119.950 0.265 0.000 2.764 349 F HA 0.477 5.009 4.527 0.009 0.000 0.347 349 F C 0.724 176.629 175.800 0.174 0.000 1.151 349 F CA -1.081 57.074 58.000 0.259 0.000 1.021 349 F CB 1.017 40.270 39.000 0.422 0.000 1.438 349 F HN 0.323 nan 8.300 nan 0.000 0.516 350 S N -0.345 115.584 115.700 0.381 0.000 2.532 350 S HA 0.603 5.078 4.470 0.009 0.000 0.301 350 S C -1.268 173.431 174.600 0.165 0.000 1.083 350 S CA -0.717 57.585 58.200 0.171 0.000 1.025 350 S CB 0.826 64.058 63.200 0.053 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.797 122.255 120.400 0.096 0.000 2.478 351 D HA 0.313 4.958 4.640 0.009 0.000 0.263 351 D C 1.176 177.539 176.300 0.105 0.000 1.153 351 D CA -0.794 53.254 54.000 0.081 0.000 1.038 351 D CB 0.262 41.100 40.800 0.063 0.000 1.120 351 D HN 0.524 nan 8.370 nan 0.000 0.564 352 R N -0.505 120.049 120.500 0.091 0.000 2.117 352 R HA -0.177 4.168 4.340 0.009 0.000 0.243 352 R C 1.683 178.107 176.300 0.207 0.000 1.143 352 R CA 1.602 57.778 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 -0.686 122.221 122.820 0.146 0.000 2.167 353 A HA 0.158 4.483 4.320 0.009 0.000 0.214 353 A C 1.416 179.084 177.584 0.139 0.000 1.151 353 A CA 0.982 53.110 52.037 0.151 0.000 0.735 353 A CB -0.089 18.956 19.000 0.075 0.000 0.802 353 A HN 0.605 nan 8.150 nan 0.000 0.467 354 G N -0.876 107.936 108.800 0.020 0.000 2.159 354 G HA2 -0.165 3.800 3.960 0.009 0.000 0.227 354 G HA3 -0.165 3.800 3.960 0.009 0.000 0.227 354 G C -0.427 174.324 174.900 -0.248 0.000 0.986 354 G CA 0.123 44.969 45.100 -0.423 0.000 0.651 354 G HN 0.471 nan 8.290 nan 0.000 0.523 355 D N 1.302 121.649 120.400 -0.089 0.000 2.210 355 D HA 0.454 5.099 4.640 0.009 0.000 0.249 355 D C -2.427 173.862 176.300 -0.018 0.000 1.078 355 D CA -1.235 52.734 54.000 -0.052 0.000 0.875 355 D CB 1.544 42.335 40.800 -0.014 0.000 1.175 355 D HN 0.037 nan 8.370 nan 0.000 0.440 356 P HA 0.130 nan 4.420 nan 0.000 0.268 356 P C -0.461 176.874 177.300 0.057 0.000 1.204 356 P CA 0.049 63.162 63.100 0.021 0.000 0.768 356 P CB 0.457 32.142 31.700 -0.025 0.000 0.842 357 I N -0.921 119.719 120.570 0.116 0.000 2.569 357 I HA 0.651 4.827 4.170 0.009 0.000 0.296 357 I C -0.703 175.483 176.117 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 4.341 118.947 114.554 0.087 0.000 2.863 358 T HA 0.445 4.800 4.350 0.009 0.000 0.285 358 T C -0.770 173.908 174.700 -0.036 0.000 1.009 358 T CA -0.567 61.551 62.100 0.031 0.000 0.989 358 T CB 2.292 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 4.573 124.393 119.914 -0.156 0.000 2.326 359 V HA 0.459 4.584 4.120 0.009 0.000 0.281 359 V C -0.368 175.622 176.094 -0.172 0.000 1.015 359 V CA -0.746 61.501 62.300 -0.089 0.000 0.823 359 V CB 0.610 32.435 31.823 0.004 0.000 1.009 359 V HN 0.730 nan 8.190 nan 0.000 0.436 360 K N 4.817 125.143 120.400 -0.123 0.000 2.237 360 K HA 0.348 4.674 4.320 0.009 0.000 0.270 360 K C 0.514 177.006 176.600 -0.180 0.000 1.015 360 K CA 0.028 56.223 56.287 -0.153 0.000 0.949 360 K CB 0.308 32.733 32.500 -0.125 0.000 0.976 360 K HN 0.875 nan 8.250 nan 0.000 0.472 361 N N 0.439 119.017 118.700 -0.204 0.000 2.725 361 N HA -0.263 4.483 4.740 0.009 0.000 0.251 361 N C 0.379 175.842 175.510 -0.077 0.000 1.031 361 N CA 0.180 53.106 53.050 -0.207 0.000 0.720 361 N CB -0.687 37.451 38.487 -0.581 0.000 0.930 361 N HN 0.738 nan 8.380 nan 0.000 0.543 362 A N -0.491 122.243 122.820 -0.142 0.000 1.968 362 A HA 0.148 4.473 4.320 0.009 0.000 0.217 362 A C 0.904 178.440 177.584 -0.081 0.000 1.169 362 A CA 1.101 53.035 52.037 -0.172 0.000 0.638 362 A CB 0.637 19.341 19.000 -0.494 0.000 0.812 362 A HN 0.174 nan 8.150 nan 0.000 0.446 363 V N -0.022 119.853 119.914 -0.064 0.000 2.487 363 V HA 0.397 4.522 4.120 0.009 0.000 0.298 363 V C -0.213 175.964 176.094 0.138 0.000 1.028 363 V CA -0.846 61.483 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 5.925 124.599 118.600 0.123 0.000 2.411 364 c HA 0.884 5.459 4.570 0.009 0.000 0.330 364 c C -0.538 173.561 174.090 0.014 0.000 1.224 364 c CA -0.634 55.696 56.329 0.002 0.000 1.770 364 c CB 0.025 42.522 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 0.646 4.821 4.170 0.009 0.000 0.292 365 I C -0.351 175.753 176.117 -0.022 0.000 1.040 365 I CA -0.123 61.113 61.300 -0.107 0.000 1.068 365 I CB 1.904 39.710 38.000 -0.324 0.000 1.251 365 I HN 0.988 nan 8.210 nan 0.000 0.424 366 H N 3.788 122.683 119.070 -0.292 0.000 2.935 366 H HA 0.423 4.984 4.556 0.009 0.000 0.297 366 H C -2.049 173.210 175.328 -0.116 0.000 1.423 366 H CA -1.155 54.842 56.048 -0.084 0.000 1.161 366 H CB 1.080 30.847 29.762 0.008 0.000 1.841 366 H HN 0.634 nan 8.280 nan 0.000 0.506 367 E N 1.137 121.339 120.200 0.002 0.000 2.207 367 E HA 0.657 5.012 4.350 0.009 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 0.850 121.033 120.200 -0.029 0.000 2.416 368 E HA 0.161 4.516 4.350 0.009 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 0.797 121.232 120.400 0.059 0.000 2.372 369 D HA -0.001 4.644 4.640 0.009 0.000 0.243 369 D C -0.719 175.600 176.300 0.033 0.000 1.121 369 D CA 0.330 54.361 54.000 0.053 0.000 0.898 369 D CB 1.053 41.876 40.800 0.039 0.000 1.202 369 D HN 0.363 nan 8.370 nan 0.000 0.428 370 D N 1.693 122.113 120.400 0.034 0.000 2.895 370 D HA 0.321 4.966 4.640 0.009 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 0.280 109.080 108.800 0.001 0.000 2.562 371 G HA2 -0.257 3.709 3.960 0.009 0.000 0.250 371 G HA3 -0.257 3.709 3.960 0.009 0.000 0.250 371 G C -0.352 174.534 174.900 -0.022 0.000 1.269 371 G CA -0.218 44.877 45.100 -0.009 0.000 0.919 371 G HN 0.321 nan 8.290 nan 0.000 0.574 372 L N 0.388 121.594 121.223 -0.028 0.000 2.371 372 L HA 0.417 4.762 4.340 0.009 0.000 0.272 372 L C 1.716 178.541 176.870 -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 3.861 124.961 121.223 -0.204 0.000 2.168 373 L HA 0.249 4.595 4.340 0.009 0.000 0.203 373 L C -0.152 176.649 176.870 -0.115 0.000 1.078 373 L CA 1.321 56.016 54.840 -0.242 0.000 0.780 373 L CB 0.191 41.933 42.059 -0.528 0.000 0.939 373 L HN 0.574 nan 8.230 nan 0.000 0.451 374 F N -2.615 117.357 119.950 0.037 0.000 2.770 374 F HA 0.582 5.114 4.527 0.009 0.000 0.313 374 F C -0.810 175.020 175.800 0.050 0.000 1.154 374 F CA -1.740 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 0.786 121.397 120.400 0.353 0.000 2.578 375 K HA 0.601 4.926 4.320 0.009 0.000 0.269 375 K C -2.565 174.193 176.600 0.264 0.000 0.941 375 K CA -0.828 55.614 56.287 0.257 0.000 0.847 375 K CB 2.345 34.922 32.500 0.127 0.000 1.397 375 K HN 1.117 nan 8.250 nan 0.000 0.422 376 H N 0.068 119.207 119.070 0.115 0.000 3.129 376 H HA 0.454 5.016 4.556 0.009 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 1.876 31.682 29.762 0.073 0.000 1.932 376 H HN 0.512 nan 8.280 nan 0.000 0.507 377 S N 3.356 118.699 115.700 -0.596 0.000 2.542 377 S HA 0.238 4.713 4.470 0.009 0.000 0.293 377 S C -1.234 173.183 174.600 -0.304 0.000 1.089 377 S CA -0.916 57.111 58.200 -0.290 0.000 0.961 377 S CB 1.687 64.863 63.200 -0.039 0.000 1.062 377 S HN 0.664 nan 8.310 nan 0.000 0.483 378 D N 1.565 121.921 120.400 -0.073 0.000 2.280 378 D HA 0.222 4.867 4.640 0.009 0.000 0.243 378 D C 0.844 177.137 176.300 -0.012 0.000 1.129 378 D CA -0.812 53.154 54.000 -0.056 0.000 0.848 378 D CB 0.588 41.313 40.800 -0.124 0.000 1.107 378 D HN 0.448 nan 8.370 nan 0.000 0.471 379 F N 3.637 123.616 119.950 0.047 0.000 2.365 379 F HA 0.062 4.595 4.527 0.009 0.000 0.300 379 F C 1.830 177.480 175.800 -0.251 0.000 1.090 379 F CA 0.345 58.200 58.000 -0.242 0.000 1.408 379 F CB -0.348 38.615 39.000 -0.062 0.000 1.060 379 F HN 0.222 nan 8.300 nan 0.000 0.534 380 R N 0.962 120.903 120.500 -0.931 0.000 2.105 380 R HA -0.156 4.190 4.340 0.009 0.000 0.239 380 R C 0.414 176.549 176.300 -0.275 0.000 1.135 380 R CA 1.647 57.386 56.100 -0.601 0.000 0.967 380 R CB -0.776 29.168 30.300 -0.594 0.000 0.861 380 R HN 0.538 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 4.663 4.640 0.009 0.000 0.272 381 D C -0.550 175.652 176.300 -0.162 0.000 1.314 381 D CA -0.494 53.417 54.000 -0.149 0.000 0.835 381 D CB -0.795 39.948 40.800 -0.095 0.000 1.080 381 D HN 0.122 nan 8.370 nan 0.000 0.482 382 N N 1.072 119.597 118.700 -0.292 0.000 2.727 382 N HA -0.283 4.462 4.740 0.009 0.000 0.249 382 N C -0.671 174.621 175.510 -0.364 0.000 1.048 382 N CA 0.308 53.084 53.050 -0.456 0.000 0.714 382 N CB -0.882 37.479 38.487 -0.210 0.000 0.959 382 N HN 0.220 nan 8.380 nan 0.000 0.544 383 F N -4.638 115.316 119.950 0.006 0.000 2.840 383 F HA -0.329 4.203 4.527 0.009 0.000 0.310 383 F C 1.692 177.499 175.800 0.011 0.000 0.688 383 F CA 0.810 58.807 58.000 -0.005 0.000 1.286 383 F CB -2.198 36.806 39.000 0.006 0.000 1.612 383 F HN 0.309 nan 8.300 nan 0.000 0.335 384 A N -1.059 121.831 122.820 0.117 0.000 1.898 384 A HA -0.029 4.296 4.320 0.009 0.000 0.216 384 A C 1.477 179.134 177.584 0.122 0.000 1.181 384 A CA 1.912 54.015 52.037 0.110 0.000 0.620 384 A CB -0.485 18.544 19.000 0.049 0.000 0.819 384 A HN 0.347 nan 8.150 nan 0.000 0.442 385 T N 1.035 115.630 114.554 0.070 0.000 2.738 385 T HA 0.441 4.796 4.350 0.009 0.000 0.293 385 T C -0.259 174.487 174.700 0.077 0.000 0.913 385 T CA 0.588 62.717 62.100 0.047 0.000 1.103 385 T CB 0.161 69.028 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 0.709 5.184 4.470 0.009 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 0.137 0.000 0.868 386 S CB 1.132 64.466 63.200 0.224 0.000 1.115 386 S HN 0.660 nan 8.310 nan 0.000 0.461 387 L N 4.156 125.469 121.223 0.150 0.000 2.438 387 L HA 0.873 5.218 4.340 0.009 0.000 0.270 387 L C -1.806 175.189 176.870 0.208 0.000 0.972 387 L CA -0.486 54.448 54.840 0.158 0.000 0.831 387 L CB 1.741 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 2.904 122.936 119.914 0.196 0.000 2.577 388 V HA 0.598 4.723 4.120 0.009 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 2.098 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 4.765 119.257 114.554 -0.103 0.000 2.840 389 T HA 0.488 4.843 4.350 0.009 0.000 0.287 389 T C -0.153 174.359 174.700 -0.314 0.000 0.991 389 T CA -0.644 61.291 62.100 -0.275 0.000 0.964 389 T CB 1.236 69.729 68.868 -0.625 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.422 121.823 120.500 -0.165 0.000 2.531 390 R HA 0.708 5.053 4.340 0.009 0.000 0.273 390 R C 0.069 176.300 176.300 -0.116 0.000 1.070 390 R CA -0.561 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 1.036 123.816 122.820 -0.066 0.000 2.312 391 A HA 0.460 4.785 4.320 0.009 0.000 0.328 391 A C -0.334 177.294 177.584 0.074 0.000 1.158 391 A CA -0.369 51.665 52.037 -0.005 0.000 0.821 391 A CB 1.695 20.699 19.000 0.008 0.000 1.170 391 A HN 0.581 nan 8.150 nan 0.000 0.490 392 T N 0.865 115.521 114.554 0.169 0.000 2.886 392 T HA 0.595 4.951 4.350 0.009 0.000 0.292 392 T C -0.792 174.150 174.700 0.404 0.000 1.012 392 T CA -0.720 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 3.891 124.416 120.400 0.209 0.000 2.267 393 K HA 0.674 4.999 4.320 0.009 0.000 0.246 393 K C -1.149 175.238 176.600 -0.355 0.000 0.954 393 K CA -1.213 55.105 56.287 0.050 0.000 0.824 393 K CB 1.785 34.283 32.500 -0.004 0.000 1.167 393 K HN 0.413 nan 8.250 nan 0.000 0.431 394 L N 3.421 124.153 121.223 -0.818 0.000 2.287 394 L HA 0.397 4.742 4.340 0.009 0.000 0.287 394 L C -1.306 175.287 176.870 -0.462 0.000 1.022 394 L CA -0.699 53.544 54.840 -0.997 0.000 0.814 394 L CB 1.545 42.569 42.059 -1.725 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 0.419 4.545 4.120 0.009 0.000 0.291 395 V C -0.050 175.993 176.094 -0.086 0.000 1.024 395 V CA -0.684 61.482 62.300 -0.222 0.000 0.861 395 V CB 1.995 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 3.994 123.968 119.914 0.100 0.000 2.334 396 V HA 0.630 4.756 4.120 0.009 0.000 0.281 396 V C 0.087 176.328 176.094 0.244 0.000 1.016 396 V CA -0.050 62.338 62.300 0.146 0.000 0.832 396 V CB 1.444 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 4.251 120.056 115.700 0.175 0.000 2.632 397 S HA 0.874 5.349 4.470 0.009 0.000 0.289 397 S C -1.066 173.588 174.600 0.091 0.000 1.115 397 S CA -0.570 57.677 58.200 0.079 0.000 0.889 397 S CB 2.161 65.337 63.200 -0.040 0.000 1.116 397 S HN 0.924 nan 8.310 nan 0.000 0.486 398 Q N 1.710 121.530 119.800 0.035 0.000 2.482 398 Q HA 0.710 5.056 4.340 0.009 0.000 0.286 398 Q C -1.786 174.242 176.000 0.046 0.000 1.007 398 Q CA -0.945 54.941 55.803 0.140 0.000 0.801 398 Q CB 1.402 30.350 28.738 0.350 0.000 1.455 398 Q HN 0.630 nan 8.270 nan 0.000 0.398 399 I N 2.660 123.297 120.570 0.112 0.000 2.512 399 I HA 0.495 4.670 4.170 0.009 0.000 0.287 399 I C -1.211 175.022 176.117 0.193 0.000 1.069 399 I CA -0.887 60.443 61.300 0.050 0.000 1.056 399 I CB 1.382 39.379 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 5.334 4.527 0.009 0.000 0.325 400 F C -0.513 175.390 175.800 0.171 0.000 1.066 400 F CA -0.805 57.291 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 2.294 117.081 114.554 0.387 0.000 2.779 401 T HA 0.675 5.031 4.350 0.009 0.000 0.280 401 T C -0.398 174.475 174.700 0.287 0.000 0.987 401 T CA -0.439 61.803 62.100 0.236 0.000 0.966 401 T CB 1.218 70.168 68.868 0.135 0.000 0.933 401 T HN 0.910 nan 8.240 nan 0.000 0.442 402 A N 2.790 125.763 122.820 0.256 0.000 2.801 402 A HA 0.757 5.082 4.320 0.009 0.000 0.344 402 A C 1.181 178.750 177.584 -0.025 0.000 1.322 402 A CA 0.074 52.184 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 1.857 124.639 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.020 4.320 0.009 0.000 0.331 403 A C 0.988 178.609 177.584 0.061 0.000 1.849 403 A CA 1.648 53.687 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 1.494 nan 8.150 nan 0.000 0.393 407 Y N 0.249 120.215 120.300 -0.557 0.000 2.328 407 Y HA 0.368 4.923 4.550 0.009 0.000 0.333 407 Y C 0.014 175.632 175.900 -0.470 0.000 0.958 407 Y CA -0.701 57.045 58.100 -0.590 0.000 1.167 407 Y CB 1.390 39.239 38.460 -1.019 0.000 1.151 407 Y HN 0.482 nan 8.280 nan 0.000 0.470 408 C N 5.850 125.045 119.300 -0.175 0.000 2.255 408 C HA 0.577 5.043 4.460 0.009 0.000 0.326 408 C C -0.009 174.811 174.990 -0.283 0.000 1.258 408 C CA -1.174 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 3.920 124.906 121.223 -0.396 0.000 2.296 409 L HA 0.523 4.868 4.340 0.009 0.000 0.286 409 L C -1.059 175.486 176.870 -0.542 0.000 1.023 409 L CA -0.442 54.196 54.840 -0.337 0.000 0.812 409 L CB 0.673 42.680 42.059 -0.088 0.000 1.223 409 L HN 0.595 nan 8.230 nan 0.000 0.421 410 Y N 0.801 120.962 120.300 -0.231 0.000 2.332 410 Y HA 0.316 4.871 4.550 0.009 0.000 0.326 410 Y C -0.861 174.860 175.900 -0.298 0.000 0.978 410 Y CA -0.737 57.271 58.100 -0.154 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 5.304 4.660 0.008 0.000 0.306 411 W C -0.909 175.537 176.519 -0.122 0.000 1.162 411 W CA -0.746 56.536 57.345 -0.105 0.000 1.232 411 W CB 1.142 30.543 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 4.536 4.120 0.009 0.000 0.291 412 V C -0.577 175.342 176.094 -0.291 0.000 1.020 412 V CA -1.123 61.101 62.300 -0.126 0.000 0.848 412 V CB 0.665 32.419 31.823 -0.115 0.000 0.990 412 V HN 0.199 nan 8.190 nan 0.000 0.430 413 F N 4.616 124.435 119.950 -0.218 0.000 2.421 413 F HA 0.716 5.248 4.527 0.009 0.000 0.337 413 F C 0.358 176.255 175.800 0.161 0.000 1.105 413 F CA -0.422 57.470 58.000 -0.180 0.000 1.049 413 F CB 1.655 40.432 39.000 -0.371 0.000 1.139 413 F HN 0.280 nan 8.300 nan 0.000 0.479 414 M N 2.062 121.987 119.600 0.541 0.000 2.662 414 M HA 0.318 4.803 4.480 0.009 0.000 0.310 414 M C 0.553 177.269 176.300 0.695 0.000 1.204 414 M CA -0.625 55.017 55.300 0.571 0.000 0.891 414 M CB 2.130 34.906 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 -0.097 4.248 4.340 0.009 0.000 0.212 415 Q C 0.193 176.292 176.000 0.166 0.000 0.970 415 Q CA 0.588 56.542 55.803 0.251 0.000 0.941 415 Q CB -0.067 28.741 28.738 0.116 0.000 0.998 415 Q HN 0.603 nan 8.270 nan 0.000 0.518 416 D N -1.631 118.883 120.400 0.191 0.000 2.363 416 D HA 0.078 4.723 4.640 0.009 0.000 0.214 416 D C 1.111 177.446 176.300 0.057 0.000 1.093 416 D CA 0.527 54.581 54.000 0.090 0.000 0.837 416 D CB 0.372 41.239 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 -0.168 3.797 3.960 0.009 0.000 0.253 417 G HA3 -0.168 3.797 3.960 0.009 0.000 0.253 417 G C 0.524 175.770 174.900 0.577 0.000 0.979 417 G CA 0.147 45.407 45.100 0.267 0.000 0.641 417 G HN 0.818 nan 8.290 nan 0.000 0.530 418 A N -0.247 122.815 122.820 0.402 0.000 2.304 418 A HA 0.797 5.122 4.320 0.009 0.000 0.271 418 A C 0.173 177.899 177.584 0.237 0.000 1.091 418 A CA -0.023 52.194 52.037 0.301 0.000 0.812 418 A CB 0.548 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 0.906 121.530 120.570 0.090 0.000 2.466 419 I HA 0.466 4.641 4.170 0.009 0.000 0.289 419 I C 0.146 176.153 176.117 -0.183 0.000 1.026 419 I CA -0.333 60.822 61.300 -0.241 0.000 1.078 419 I CB 1.893 39.675 38.000 -0.364 0.000 1.249 419 I HN 0.778 nan 8.210 nan 0.000 0.429 420 R N 6.149 126.500 120.500 -0.249 0.000 2.740 420 R HA 0.662 5.007 4.340 0.009 0.000 0.282 420 R C -1.825 174.301 176.300 -0.290 0.000 0.969 420 R CA -0.725 55.245 56.100 -0.215 0.000 0.918 420 R CB 2.212 32.419 30.300 -0.155 0.000 1.175 420 R HN 0.582 nan 8.270 nan 0.000 0.464 421 L N 3.854 124.857 121.223 -0.367 0.000 2.319 421 L HA 0.461 4.807 4.340 0.009 0.000 0.281 421 L C -1.493 175.133 176.870 -0.407 0.000 1.005 421 L CA -0.630 53.873 54.840 -0.562 0.000 0.828 421 L CB 1.642 43.221 42.059 -0.801 0.000 1.227 421 L HN 0.710 nan 8.230 nan 0.000 0.415 422 D N 6.117 126.335 120.400 -0.302 0.000 2.256 422 D HA 0.552 5.197 4.640 0.009 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 2.877 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 1.542 122.066 120.570 -0.077 0.000 2.545 423 I HA 0.368 4.543 4.170 0.009 0.000 0.292 423 I C -0.053 176.055 176.117 -0.015 0.000 1.040 423 I CA -0.747 60.518 61.300 -0.059 0.000 1.068 423 I CB 2.111 39.980 38.000 -0.219 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.431 126.954 120.500 0.038 0.000 2.439 424 R HA 0.619 4.964 4.340 0.009 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 2.091 123.201 121.223 -0.189 0.000 2.289 425 L HA 0.511 4.857 4.340 0.009 0.000 0.285 425 L C 0.617 177.321 176.870 -0.276 0.000 1.049 425 L CA -0.230 54.406 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 0.912 115.283 114.554 -0.306 0.000 2.598 426 T HA 0.816 5.171 4.350 0.009 0.000 0.289 426 T C -0.096 174.459 174.700 -0.241 0.000 1.056 426 T CA 0.408 62.372 62.100 -0.226 0.000 1.088 426 T CB 1.456 70.214 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 3.942 3.960 0.009 0.000 0.218 427 G HA3 -0.023 3.942 3.960 0.009 0.000 0.218 427 G C -1.085 173.682 174.900 -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 0.858 121.294 120.570 -0.224 0.000 2.569 428 I HA 0.454 4.629 4.170 0.009 0.000 0.296 428 I C 0.712 176.735 176.117 -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 4.723 125.961 121.223 0.025 0.000 2.483 429 L HA 0.038 4.383 4.340 0.009 0.000 0.276 429 L C 0.854 177.753 176.870 0.047 0.000 1.213 429 L CA 0.224 55.132 54.840 0.114 0.000 0.843 429 L CB -0.010 42.179 42.059 0.216 0.000 1.107 429 L HN 0.661 nan 8.230 nan 0.000 0.487 430 N N 1.654 120.417 118.700 0.105 0.000 2.497 430 N HA 0.110 4.855 4.740 0.009 0.000 0.271 430 N C -0.801 174.785 175.510 0.128 0.000 1.142 430 N CA -0.151 52.980 53.050 0.136 0.000 0.965 430 N CB 0.985 39.562 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 0.436 4.792 4.350 0.009 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 1.274 121.438 120.300 -0.227 0.000 2.576 432 Y HA 0.682 5.238 4.550 0.009 0.000 0.346 432 Y C -0.576 175.225 175.900 -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 -0.441 0.000 1.280 432 Y HN 1.003 nan 8.280 nan 0.000 0.474 433 I N 4.464 124.422 120.570 -1.020 0.000 2.696 433 I HA 0.262 4.437 4.170 0.009 0.000 0.284 433 I C -1.325 174.519 176.117 -0.455 0.000 1.129 433 I CA -0.312 60.599 61.300 -0.648 0.000 1.410 433 I CB 0.581 38.215 38.000 -0.609 0.000 1.399 433 I HN 0.610 nan 8.210 nan 0.000 0.579 434 L N 7.070 128.155 121.223 -0.230 0.000 2.409 434 L HA 0.634 4.979 4.340 0.009 0.000 0.272 434 L C 0.000 176.822 176.870 -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 43.586 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 4.075 3.960 0.009 0.000 0.243 435 G HA3 0.110 4.075 3.960 0.009 0.000 0.243 435 G C 0.361 175.249 174.900 -0.020 0.000 1.229 435 G CA -0.164 44.922 45.100 -0.023 0.000 0.843 435 G HN 0.802 nan 8.290 nan 0.000 0.578 436 D N 0.250 120.643 120.400 -0.012 0.000 2.149 436 D HA -0.149 4.496 4.640 0.009 0.000 0.198 436 D C 1.816 178.110 176.300 -0.010 0.000 0.990 436 D CA 1.661 55.657 54.000 -0.007 0.000 0.839 436 D CB 0.131 40.936 40.800 0.007 0.000 0.948 436 D HN 0.669 nan 8.370 nan 0.000 0.460 437 D N 0.241 120.640 120.400 -0.003 0.000 2.350 437 D HA -0.058 4.587 4.640 0.009 0.000 0.213 437 D C 0.595 176.898 176.300 0.005 0.000 1.031 437 D CA -0.027 53.973 54.000 0.000 0.000 0.861 437 D CB -0.135 40.667 40.800 0.004 0.000 0.926 437 D HN 0.177 nan 8.370 nan 0.000 0.520 438 E N 0.943 121.148 120.200 0.009 0.000 2.338 438 E HA 0.076 4.431 4.350 0.009 0.000 0.272 438 E C -0.620 175.991 176.600 0.018 0.000 1.029 438 E CA -0.393 56.022 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 2.844 123.059 120.200 0.025 0.000 2.200 439 E HA 0.220 4.575 4.350 0.009 0.000 0.283 439 E C -0.161 176.458 176.600 0.033 0.000 1.015 439 E CA -0.049 56.356 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 0.236 4.561 4.320 0.009 0.000 0.212 440 A C 1.363 178.976 177.584 0.049 0.000 1.178 440 A CA 0.845 52.925 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 0.102 108.882 108.800 -0.033 0.000 2.581 441 G HA2 -0.288 3.677 3.960 0.009 0.000 0.289 441 G HA3 -0.288 3.677 3.960 0.009 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 0.097 nan 4.420 nan 0.000 0.251 442 P C 1.103 178.220 177.300 -0.305 0.000 1.223 442 P CA 1.249 64.019 63.100 -0.549 0.000 0.796 442 P CB -0.064 31.148 31.700 -0.813 0.000 1.068 443 W N 0.767 122.121 121.300 0.090 0.000 2.905 443 W HA 0.339 5.004 4.660 0.009 0.000 0.251 443 W C 1.094 177.720 176.519 0.179 0.000 1.305 443 W CA -0.071 57.335 57.345 0.103 0.000 1.465 443 W CB 0.217 29.690 29.460 0.020 0.000 1.122 443 W HN -0.001 nan 8.180 nan 0.000 0.659 444 G N -0.657 108.347 108.800 0.340 0.000 2.606 444 G HA2 0.513 4.478 3.960 0.009 0.000 0.300 444 G HA3 0.513 4.478 3.960 0.009 0.000 0.300 444 G C -1.475 173.529 174.900 0.174 0.000 1.360 444 G CA -0.642 44.648 45.100 0.318 0.000 0.783 444 G HN -0.293 nan 8.290 nan 0.000 0.484 445 T N 0.027 114.656 114.554 0.125 0.000 2.861 445 T HA 0.479 4.834 4.350 0.009 0.000 0.287 445 T C -0.071 174.631 174.700 0.003 0.000 1.003 445 T CA -0.622 61.514 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 2.828 123.319 120.500 -0.016 0.000 2.325 446 R HA 0.289 4.635 4.340 0.009 0.000 0.323 446 R C 1.045 177.306 176.300 -0.066 0.000 1.177 446 R CA -0.216 55.850 56.100 -0.057 0.000 1.018 446 R CB -0.278 29.989 30.300 -0.055 0.000 1.070 446 R HN 0.578 nan 8.270 nan 0.000 0.495 447 V N 2.096 121.936 119.914 -0.123 0.000 3.649 447 V HA 0.264 4.389 4.120 0.009 0.000 0.275 447 V C -0.225 175.847 176.094 -0.037 0.000 1.281 447 V CA 0.071 62.304 62.300 -0.112 0.000 1.143 447 V CB -0.950 30.731 31.823 -0.237 0.000 0.892 447 V HN 0.677 nan 8.190 nan 0.000 0.441 448 Y N -0.904 119.244 120.300 -0.254 0.000 2.687 448 Y HA 0.556 5.111 4.550 0.009 0.000 0.338 448 Y C -3.165 172.603 175.900 -0.220 0.000 1.189 448 Y CA -2.240 55.756 58.100 -0.172 0.000 1.097 448 Y CB 1.553 39.934 38.460 -0.130 0.000 1.342 448 Y HN -0.124 nan 8.280 nan 0.000 0.461 449 P HA 0.103 nan 4.420 nan 0.000 0.262 449 P C -0.547 176.505 177.300 -0.413 0.000 1.182 449 P CA 1.191 63.883 63.100 -0.681 0.000 0.761 449 P CB 0.291 31.209 31.700 -1.302 0.000 0.795 450 N N -0.318 118.237 118.700 -0.241 0.000 2.753 450 N HA -0.134 4.612 4.740 0.009 0.000 0.251 450 N C -0.816 174.604 175.510 -0.149 0.000 1.097 450 N CA 0.760 53.718 53.050 -0.153 0.000 0.786 450 N CB -1.470 36.949 38.487 -0.115 0.000 1.137 450 N HN 0.174 nan 8.380 nan 0.000 0.566 451 V N 1.182 121.011 119.914 -0.141 0.000 2.444 451 V HA 0.313 4.438 4.120 0.009 0.000 0.294 451 V C 0.267 176.264 176.094 -0.162 0.000 1.022 451 V CA -0.798 61.410 62.300 -0.154 0.000 0.850 451 V CB 1.993 33.699 31.823 -0.195 0.000 0.992 451 V HN 0.197 nan 8.190 nan 0.000 0.426 452 N N 3.233 121.845 118.700 -0.147 0.000 2.476 452 N HA 0.632 5.377 4.740 0.009 0.000 0.257 452 N C -0.346 175.060 175.510 -0.172 0.000 0.970 452 N CA -0.433 52.550 53.050 -0.111 0.000 0.938 452 N CB 1.213 39.674 38.487 -0.043 0.000 1.144 452 N HN 0.831 nan 8.380 nan 0.000 0.500 453 A N 3.608 126.372 122.820 -0.092 0.000 2.294 453 A HA 0.247 4.572 4.320 0.009 0.000 0.316 453 A C -0.575 177.087 177.584 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 2.142 121.341 119.070 0.215 0.000 2.790 454 H HA 0.055 4.616 4.556 0.009 0.000 0.358 454 H C 0.229 175.764 175.328 0.346 0.000 1.103 454 H CA -0.381 55.845 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 2.852 121.777 118.700 0.376 0.000 2.453 455 N HA 0.024 4.769 4.740 0.009 0.000 0.253 455 N C -0.141 175.333 175.510 -0.061 0.000 1.252 455 N CA 0.349 53.453 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 -1.976 116.803 119.070 -0.484 0.000 2.987 456 H HA 0.328 4.889 4.556 0.009 0.000 0.316 456 H C -1.404 173.608 175.328 -0.526 0.000 1.380 456 H CA -0.764 54.853 56.048 -0.718 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 0.485 120.031 119.800 -0.424 0.000 2.351 457 Q HA 0.387 4.732 4.340 0.009 0.000 0.273 457 Q C -0.825 174.994 176.000 -0.302 0.000 1.077 457 Q CA -0.999 54.621 55.803 -0.304 0.000 0.843 457 Q CB 2.508 31.130 28.738 -0.194 0.000 1.367 457 Q HN 0.517 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 4.965 4.556 0.009 0.000 0.310 458 H C -1.007 174.185 175.328 -0.225 0.000 1.004 458 H CA -0.208 55.786 56.048 -0.090 0.000 1.267 458 H CB 0.695 30.528 29.762 0.117 0.000 1.437 458 H HN 0.364 nan 8.280 nan 0.000 0.498 459 L N 3.938 124.984 121.223 -0.294 0.000 2.346 459 L HA 0.473 4.818 4.340 0.009 0.000 0.276 459 L C -0.792 175.827 176.870 -0.419 0.000 1.006 459 L CA -0.784 53.927 54.840 -0.215 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 0.014 119.814 119.950 -0.250 0.000 2.561 460 F HA 0.459 4.991 4.527 0.008 0.000 0.321 460 F C 0.319 175.974 175.800 -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 -0.757 0.000 1.215 460 F HN 0.228 nan 8.300 nan 0.000 0.471 461 S N 3.173 118.779 115.700 -0.157 0.000 2.601 461 S HA 0.426 4.901 4.470 0.009 0.000 0.312 461 S C -0.897 173.764 174.600 0.101 0.000 1.107 461 S CA -0.582 57.510 58.200 -0.180 0.000 1.129 461 S CB 0.027 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 5.812 127.218 121.223 0.305 0.000 2.361 462 L HA 0.446 4.791 4.340 0.009 0.000 0.278 462 L C 0.291 177.197 176.870 0.060 0.000 1.113 462 L CA -0.249 54.745 54.840 0.257 0.000 0.849 462 L CB 0.520 42.761 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 4.867 4.340 0.009 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 3.637 123.984 120.570 -0.373 0.000 2.362 464 I HA 0.173 4.349 4.170 0.009 0.000 0.289 464 I C -0.599 175.399 176.117 -0.198 0.000 0.994 464 I CA -0.726 60.378 61.300 -0.327 0.000 1.158 464 I CB 1.853 39.629 38.000 -0.374 0.000 1.315 464 I HN 0.517 nan 8.210 nan 0.000 0.451 465 D N 9.642 129.959 120.400 -0.139 0.000 2.473 465 D HA 0.319 4.964 4.640 0.009 0.000 0.226 465 D C -2.519 173.836 176.300 0.092 0.000 1.089 465 D CA -2.048 51.955 54.000 0.004 0.000 0.883 465 D CB 1.428 42.263 40.800 0.058 0.000 1.029 465 D HN 0.154 nan 8.370 nan 0.000 0.517 466 P HA 0.337 nan 4.420 nan 0.000 0.279 466 P C -0.466 176.909 177.300 0.124 0.000 1.252 466 P CA -0.591 62.656 63.100 0.245 0.000 0.811 466 P CB 1.387 33.220 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 4.588 4.340 0.009 0.000 0.268 467 R C -0.232 176.078 176.300 0.017 0.000 1.303 467 R CA -0.342 55.783 56.100 0.041 0.000 1.429 467 R CB -0.217 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 2.663 123.247 120.570 0.023 0.000 2.792 468 I HA -0.051 4.125 4.170 0.009 0.000 0.284 468 I C 0.545 176.763 176.117 0.168 0.000 1.166 468 I CA 1.019 62.368 61.300 0.081 0.000 1.375 468 I CB -0.421 37.668 38.000 0.149 0.000 1.421 468 I HN 0.631 nan 8.210 nan 0.000 0.544 469 D N 4.932 125.486 120.400 0.256 0.000 2.811 469 D HA -0.150 4.495 4.640 0.009 0.000 0.231 469 D C 0.552 176.880 176.300 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 40.085 40.800 -0.041 0.000 1.077 469 D HN 1.205 nan 8.370 nan 0.000 0.428 470 G N -1.036 107.795 108.800 0.053 0.000 2.373 470 G HA2 0.005 3.970 3.960 0.009 0.000 0.634 470 G HA3 0.005 3.970 3.960 0.009 0.000 0.634 470 G C -1.168 173.739 174.900 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 0.646 121.044 120.400 -0.004 0.000 2.264 471 D HA 0.529 5.174 4.640 0.009 0.000 0.249 471 D C 0.813 177.102 176.300 -0.018 0.000 1.070 471 D CA 1.384 55.373 54.000 -0.019 0.000 0.912 471 D CB 1.268 42.050 40.800 -0.030 0.000 1.193 471 D HN 2.035 nan 8.370 nan 0.000 0.427 472 G N 1.517 110.302 108.800 -0.026 0.000 2.830 472 G HA2 -0.163 3.803 3.960 0.009 0.000 0.298 472 G HA3 -0.163 3.803 3.960 0.009 0.000 0.298 472 G C -0.700 174.171 174.900 -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 -0.340 118.321 118.700 -0.064 0.000 2.453 473 N HA 0.880 5.625 4.740 0.009 0.000 0.290 473 N C -0.150 175.232 175.510 -0.212 0.000 1.250 473 N CA -0.351 52.622 53.050 -0.127 0.000 0.815 473 N CB 2.173 40.630 38.487 -0.050 0.000 1.381 473 N HN 0.449 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 5.404 4.470 0.009 0.000 0.279 474 S C -1.199 173.155 174.600 -0.410 0.000 1.148 474 S CA -0.702 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 0.263 123.063 122.820 -0.033 0.000 2.469 475 A HA 1.009 5.334 4.320 0.009 0.000 0.299 475 A C -0.963 176.614 177.584 -0.011 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 -0.299 122.464 122.820 -0.095 0.000 2.612 476 A HA 0.885 5.210 4.320 0.009 0.000 0.293 476 A C -0.478 176.949 177.584 -0.262 0.000 1.075 476 A CA 0.029 51.723 52.037 -0.571 0.000 0.680 476 A CB 0.917 19.862 19.000 -0.091 0.000 1.279 476 A HN 2.479 nan 8.150 nan 0.000 0.411 477 A N -0.186 122.467 122.820 -0.278 0.000 2.312 477 A HA 0.625 4.950 4.320 0.009 0.000 0.326 477 A C -0.433 177.072 177.584 -0.132 0.000 1.172 477 A CA -0.359 51.630 52.037 -0.081 0.000 0.821 477 A CB 0.315 19.403 19.000 0.146 0.000 1.166 477 A HN 1.307 nan 8.150 nan 0.000 0.493 478 C N 2.311 121.496 119.300 -0.192 0.000 2.322 478 C HA 0.615 5.080 4.460 0.009 0.000 0.324 478 C C -0.856 174.033 174.990 -0.169 0.000 1.249 478 C CA -0.888 58.049 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 2.191 122.501 120.400 -0.149 0.000 2.391 479 D HA 0.503 5.148 4.640 0.009 0.000 0.245 479 D C -0.224 175.957 176.300 -0.198 0.000 1.069 479 D CA 0.126 54.023 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 0.684 nan 8.370 nan 0.000 0.503 480 A N 2.937 125.649 122.820 -0.180 0.000 2.409 480 A HA 0.452 4.777 4.320 0.009 0.000 0.262 480 A C 0.109 177.549 177.584 -0.239 0.000 1.113 480 A CA 0.033 51.956 52.037 -0.189 0.000 0.790 480 A CB 0.387 19.287 19.000 -0.167 0.000 1.046 480 A HN 0.475 nan 8.150 nan 0.000 0.496 481 K N 1.513 121.724 120.400 -0.316 0.000 2.527 481 K HA 0.446 4.771 4.320 0.009 0.000 0.260 481 K C -0.754 175.812 176.600 -0.055 0.000 0.937 481 K CA -0.618 55.521 56.287 -0.247 0.000 0.826 481 K CB 2.251 34.548 32.500 -0.338 0.000 1.359 481 K HN 0.618 nan 8.250 nan 0.000 0.434 482 S N 0.800 116.542 115.700 0.070 0.000 2.585 482 S HA 0.065 4.540 4.470 0.009 0.000 0.273 482 S C 0.198 174.995 174.600 0.328 0.000 1.339 482 S CA -0.444 57.882 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 2.614 118.535 115.700 0.367 0.000 2.563 483 S HA 0.088 4.563 4.470 0.009 0.000 0.284 483 S C -1.180 173.554 174.600 0.223 0.000 1.331 483 S CA -1.035 57.367 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 0.009 nan 4.420 nan 0.000 0.229 484 P C -0.258 176.970 177.300 -0.120 0.000 1.160 484 P CA 0.511 63.594 63.100 -0.027 0.000 0.777 484 P CB -0.095 31.527 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 4.708 4.550 0.008 0.000 0.331 485 Y C -1.244 174.673 175.900 0.027 0.000 1.157 485 Y CA -2.125 55.988 58.100 0.020 0.000 1.372 485 Y CB -0.385 38.079 38.460 0.007 0.000 1.253 485 Y HN 0.051 nan 8.280 nan 0.000 0.536 486 P HA 0.019 nan 4.420 nan 0.000 0.274 486 P C -0.408 176.941 177.300 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 0.933 122.188 121.223 0.054 0.000 2.525 487 L HA 0.099 4.444 4.340 0.009 0.000 0.278 487 L C 1.490 178.358 176.870 -0.004 0.000 1.218 487 L CA 1.929 56.787 54.840 0.029 0.000 0.878 487 L CB -0.621 41.453 42.059 0.026 0.000 1.127 487 L HN 0.914 nan 8.230 nan 0.000 0.492 488 G N 2.496 111.264 108.800 -0.054 0.000 2.195 488 G HA2 -0.285 3.680 3.960 0.009 0.000 0.246 488 G HA3 -0.285 3.680 3.960 0.009 0.000 0.246 488 G C 0.284 175.150 174.900 -0.056 0.000 0.984 488 G CA 0.345 45.397 45.100 -0.081 0.000 0.633 488 G HN 0.937 nan 8.290 nan 0.000 0.525 489 S N 0.332 116.024 115.700 -0.014 0.000 2.617 489 S HA 0.627 5.102 4.470 0.009 0.000 0.269 489 S C -0.940 173.633 174.600 -0.045 0.000 1.292 489 S CA -0.563 57.639 58.200 0.004 0.000 1.010 489 S CB 2.197 65.453 63.200 0.093 0.000 0.944 489 S HN -0.012 nan 8.310 nan 0.000 0.536 490 P HA -0.040 nan 4.420 nan 0.000 0.218 490 P C 0.707 177.934 177.300 -0.121 0.000 1.149 490 P CA 1.081 64.130 63.100 -0.084 0.000 0.817 490 P CB 0.003 31.656 31.700 -0.079 0.000 0.785 491 E N -1.743 118.334 120.200 -0.204 0.000 2.358 491 E HA -0.026 4.329 4.350 0.009 0.000 0.195 491 E C 0.709 177.221 176.600 -0.147 0.000 1.010 491 E CA 0.640 56.849 56.400 -0.318 0.000 0.856 491 E CB -0.339 28.822 29.700 -0.898 0.000 0.795 491 E HN 0.094 nan 8.360 nan 0.000 0.504 492 N N -0.382 118.293 118.700 -0.041 0.000 2.639 492 N HA 0.078 4.824 4.740 0.009 0.000 0.265 492 N C 0.202 175.726 175.510 0.023 0.000 1.689 492 N CA -0.025 53.050 53.050 0.042 0.000 0.813 492 N CB 0.002 38.560 38.487 0.118 0.000 1.353 492 N HN -0.081 nan 8.380 nan 0.000 0.510 493 M N 0.381 119.964 119.600 -0.028 0.000 2.089 493 M HA -0.113 4.372 4.480 0.009 0.000 0.257 493 M C 0.199 176.309 176.300 -0.318 0.000 1.071 493 M CA 2.080 57.259 55.300 -0.203 0.000 1.096 493 M CB -0.376 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 -0.659 119.655 120.300 0.022 0.000 2.524 494 Y HA 0.449 5.004 4.550 0.009 0.000 0.266 494 Y C 1.479 177.406 175.900 0.044 0.000 1.180 494 Y CA 0.041 58.158 58.100 0.029 0.000 1.244 494 Y CB -0.473 38.001 38.460 0.023 0.000 1.125 494 Y HN 0.453 nan 8.280 nan 0.000 0.524 495 G N 1.488 110.375 108.800 0.146 0.000 2.203 495 G HA2 -0.400 3.565 3.960 0.009 0.000 0.263 495 G HA3 -0.400 3.565 3.960 0.009 0.000 0.263 495 G C 0.968 175.961 174.900 0.155 0.000 1.012 495 G CA 0.848 46.027 45.100 0.132 0.000 0.749 495 G HN 0.593 nan 8.290 nan 0.000 0.512 496 N N -0.093 118.711 118.700 0.174 0.000 2.299 496 N HA 0.369 5.114 4.740 0.009 0.000 0.187 496 N C 1.058 176.699 175.510 0.218 0.000 1.099 496 N CA 0.668 53.831 53.050 0.187 0.000 0.867 496 N CB 0.019 38.596 38.487 0.150 0.000 0.974 496 N HN 0.944 nan 8.380 nan 0.000 0.477 497 A N 1.038 123.960 122.820 0.170 0.000 2.520 497 A HA 0.418 4.743 4.320 0.009 0.000 0.245 497 A C -0.426 177.328 177.584 0.282 0.000 1.072 497 A CA -0.169 51.951 52.037 0.137 0.000 0.761 497 A CB -0.566 18.501 19.000 0.111 0.000 1.004 497 A HN 0.478 nan 8.150 nan 0.000 0.499 498 F N 0.838 120.880 119.950 0.153 0.000 2.654 498 F HA 0.740 5.272 4.527 0.008 0.000 0.308 498 F C -1.055 174.887 175.800 0.236 0.000 1.108 498 F CA -1.496 56.614 58.000 0.182 0.000 0.957 498 F CB 0.811 39.852 39.000 0.068 0.000 1.309 498 F HN 0.763 nan 8.300 nan 0.000 0.446 499 Y N -0.368 120.098 120.300 0.277 0.000 2.818 499 Y HA 0.803 5.358 4.550 0.009 0.000 0.322 499 Y C -1.364 174.644 175.900 0.179 0.000 1.323 499 Y CA -1.886 56.299 58.100 0.143 0.000 1.090 499 Y CB 0.964 39.457 38.460 0.056 0.000 1.328 499 Y HN 0.801 nan 8.280 nan 0.000 0.482 500 S N 0.737 116.466 115.700 0.049 0.000 2.438 500 S HA 0.271 4.746 4.470 0.009 0.000 0.316 500 S C -0.982 173.597 174.600 -0.036 0.000 1.084 500 S CA -0.600 57.558 58.200 -0.071 0.000 1.107 500 S CB 0.157 63.373 63.200 0.027 0.000 0.981 500 S HN 0.698 nan 8.310 nan 0.000 0.466 501 E N 4.184 124.272 120.200 -0.188 0.000 2.089 501 E HA 0.206 4.562 4.350 0.009 0.000 0.284 501 E C -0.529 176.064 176.600 -0.012 0.000 1.023 501 E CA -0.384 56.016 56.400 0.001 0.000 0.819 501 E CB 0.501 30.178 29.700 -0.038 0.000 1.076 501 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 4.563 4.320 0.009 0.000 0.270 502 K C -1.196 175.396 176.600 -0.013 0.000 1.002 502 K CA -0.379 55.885 56.287 -0.037 0.000 0.868 502 K CB 1.300 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 3.583 118.124 114.554 -0.022 0.000 2.893 503 T HA 0.110 4.465 4.350 0.009 0.000 0.324 503 T C -0.467 174.198 174.700 -0.058 0.000 1.082 503 T CA -0.646 61.472 62.100 0.029 0.000 0.983 503 T CB 0.768 69.708 68.868 0.119 0.000 1.005 503 T HN 0.714 nan 8.240 nan 0.000 0.475 504 T N 1.199 115.759 114.554 0.010 0.000 2.884 504 T HA 0.486 4.841 4.350 0.009 0.000 0.298 504 T C -0.053 174.725 174.700 0.129 0.000 0.998 504 T CA -0.637 61.480 62.100 0.027 0.000 1.124 504 T CB -0.048 68.956 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 4.924 4.527 0.007 0.000 0.364 505 F C 1.439 177.308 175.800 0.115 0.000 1.090 505 F CA -1.333 56.757 58.000 0.150 0.000 1.188 505 F CB 0.643 39.732 39.000 0.148 0.000 1.105 505 F HN 0.696 nan 8.300 nan 0.000 0.536 506 K N 0.431 120.998 120.400 0.278 0.000 2.168 506 K HA 0.055 4.380 4.320 0.009 0.000 0.201 506 K C 0.854 177.536 176.600 0.137 0.000 1.049 506 K CA 0.672 57.062 56.287 0.172 0.000 0.974 506 K CB 0.268 32.848 32.500 0.134 0.000 0.792 506 K HN 0.585 nan 8.250 nan 0.000 0.463 507 T N -0.773 113.856 114.554 0.124 0.000 2.916 507 T HA 0.208 4.563 4.350 0.009 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 3.106 123.033 119.914 0.020 0.000 2.278 508 V HA -0.163 3.962 4.120 0.009 0.000 0.251 508 V C 2.687 178.723 176.094 -0.097 0.000 1.062 508 V CA 2.465 64.751 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 -0.188 120.171 120.400 -0.069 0.000 2.113 509 K HA -0.266 4.059 4.320 0.009 0.000 0.208 509 K C 1.798 178.313 176.600 -0.142 0.000 1.047 509 K CA 2.033 58.262 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 0.021 120.358 120.400 -0.105 0.000 2.178 510 D HA -0.130 4.515 4.640 0.009 0.000 0.201 510 D C 1.942 177.917 176.300 -0.540 0.000 0.980 510 D CA 1.563 55.496 54.000 -0.113 0.000 0.842 510 D CB -0.092 40.777 40.800 0.116 0.000 0.948 510 D HN 0.380 nan 8.370 nan 0.000 0.472 511 S N 0.259 115.475 115.700 -0.807 0.000 2.461 511 S HA -0.046 4.430 4.470 0.009 0.000 0.228 511 S C 1.304 175.446 174.600 -0.764 0.000 1.005 511 S CA -0.068 57.259 58.200 -1.454 0.000 0.942 511 S CB -0.528 62.197 63.200 -0.793 0.000 0.776 511 S HN 0.174 nan 8.310 nan 0.000 0.514 512 L N 3.782 124.696 121.223 -0.514 0.000 2.617 512 L HA 0.244 4.590 4.340 0.009 0.000 0.282 512 L C 0.329 177.055 176.870 -0.240 0.000 1.174 512 L CA -0.161 54.346 54.840 -0.555 0.000 1.016 512 L CB -1.068 40.479 42.059 -0.852 0.000 1.337 512 L HN 0.409 nan 8.230 nan 0.000 0.460 513 T N -1.064 113.504 114.554 0.024 0.000 2.896 513 T HA 0.535 4.890 4.350 0.009 0.000 0.297 513 T C -0.374 174.613 174.700 0.478 0.000 1.108 513 T CA -1.103 61.182 62.100 0.308 0.000 1.004 513 T CB 2.451 71.595 68.868 0.460 0.000 1.159 513 T HN 0.217 nan 8.240 nan 0.000 0.499 514 N N 0.040 119.028 118.700 0.479 0.000 2.362 514 N HA 0.351 5.096 4.740 0.009 0.000 0.299 514 N C -1.276 174.601 175.510 0.612 0.000 1.170 514 N CA -0.622 52.728 53.050 0.500 0.000 0.825 514 N CB 1.367 40.031 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 0.043 4.598 4.550 0.009 0.000 0.334 515 Y C -0.255 175.768 175.900 0.205 0.000 1.199 515 Y CA 0.495 58.871 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 3.402 123.092 120.200 -0.850 0.000 2.244 516 E HA 0.140 4.495 4.350 0.009 0.000 0.260 516 E C 0.346 176.436 176.600 -0.850 0.000 0.884 516 E CA -0.013 56.023 56.400 -0.606 0.000 0.777 516 E CB 1.664 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 4.359 4.470 0.009 0.000 0.231 517 S C 1.802 176.297 174.600 -0.175 0.000 1.014 517 S CA 0.826 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 1.841 124.561 122.820 -0.167 0.000 2.070 518 A HA 0.015 4.340 4.320 0.009 0.000 0.220 518 A C 2.249 179.751 177.584 -0.136 0.000 1.159 518 A CA 1.712 53.678 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 -5.776 108.668 114.554 -0.183 0.000 3.111 519 T HA 0.429 4.784 4.350 0.009 0.000 0.284 519 T C 1.091 175.686 174.700 -0.175 0.000 0.983 519 T CA 0.931 62.924 62.100 -0.177 0.000 0.900 519 T CB -0.026 68.734 68.868 -0.179 0.000 1.132 519 T HN 1.631 nan 8.240 nan 0.000 0.531 520 G N 2.801 111.500 108.800 -0.170 0.000 2.356 520 G HA2 -0.348 3.618 3.960 0.009 0.000 0.296 520 G HA3 -0.348 3.618 3.960 0.009 0.000 0.296 520 G C 0.035 174.908 174.900 -0.045 0.000 1.022 520 G CA 0.312 45.383 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 4.682 4.340 0.009 0.000 0.281 521 R C 0.842 176.987 176.300 -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 30.193 30.300 -0.513 0.000 0.932 521 R HN 0.649 nan 8.270 nan 0.000 0.409 522 S N 3.926 119.413 115.700 -0.355 0.000 2.667 522 S HA 0.610 5.086 4.470 0.009 0.000 0.292 522 S C -1.145 173.288 174.600 -0.278 0.000 1.126 522 S CA -1.027 57.064 58.200 -0.182 0.000 0.881 522 S CB 1.455 64.660 63.200 0.007 0.000 1.132 522 S HN 0.627 nan 8.310 nan 0.000 0.492 523 W N 0.525 121.922 121.300 0.162 0.000 2.819 523 W HA 0.445 5.110 4.660 0.008 0.000 0.337 523 W C -1.376 175.230 176.519 0.144 0.000 1.077 523 W CA -0.437 57.037 57.345 0.215 0.000 1.226 523 W CB 2.140 31.854 29.460 0.423 0.000 1.419 523 W HN 0.630 nan 8.180 nan 0.000 0.502 524 D N 2.039 122.662 120.400 0.371 0.000 2.248 524 D HA 0.527 5.172 4.640 0.009 0.000 0.246 524 D C -0.480 176.072 176.300 0.420 0.000 1.027 524 D CA -0.364 53.822 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 3.187 123.962 120.570 0.341 0.000 2.411 525 I HA 0.361 4.536 4.170 0.009 0.000 0.284 525 I C -0.732 175.600 176.117 0.359 0.000 1.012 525 I CA -0.867 60.599 61.300 0.277 0.000 1.119 525 I CB 0.375 38.450 38.000 0.126 0.000 1.261 525 I HN 0.230 nan 8.210 nan 0.000 0.448 526 F N 3.556 123.583 119.950 0.129 0.000 2.664 526 F HA 0.541 5.073 4.527 0.007 0.000 0.329 526 F C -0.727 175.131 175.800 0.096 0.000 1.090 526 F CA -1.516 56.553 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 1.957 120.794 118.700 0.228 0.000 2.558 527 N HA 0.368 5.113 4.740 0.009 0.000 0.242 527 N C -2.085 173.531 175.510 0.176 0.000 0.979 527 N CA -2.160 50.944 53.050 0.090 0.000 0.931 527 N CB 1.390 39.929 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 -0.145 177.217 177.300 0.104 0.000 1.167 528 P CA 0.818 64.041 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 -0.105 118.631 118.700 0.059 0.000 2.398 529 N HA 0.059 4.804 4.740 0.009 0.000 0.188 529 N C 0.572 176.094 175.510 0.021 0.000 1.122 529 N CA 0.524 53.592 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 0.191 120.609 120.400 0.029 0.000 2.433 530 K HA 0.654 4.979 4.320 0.009 0.000 0.252 530 K C -0.994 175.607 176.600 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 35.474 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 4.365 4.120 0.009 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 1.951 33.761 31.823 -0.021 0.000 1.021 531 V HN 0.764 nan 8.190 nan 0.000 0.426 532 N N 5.159 123.836 118.700 -0.038 0.000 2.470 532 N HA 0.183 4.928 4.740 0.009 0.000 0.268 532 N C -1.407 174.082 175.510 -0.035 0.000 1.136 532 N CA -1.380 51.645 53.050 -0.042 0.000 0.961 532 N CB 2.097 40.611 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 1.322 64.381 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 0.915 121.223 120.300 0.013 0.000 2.265 534 Y HA 0.001 4.556 4.550 0.008 0.000 0.290 534 Y C 2.970 178.885 175.900 0.025 0.000 1.137 534 Y CA 0.890 59.000 58.100 0.016 0.000 1.147 534 Y CB -1.432 37.041 38.460 0.020 0.000 1.104 534 Y HN 0.042 nan 8.280 nan 0.000 0.514 535 S N -0.786 115.058 115.700 0.241 0.000 2.453 535 S HA 0.124 4.600 4.470 0.009 0.000 0.231 535 S C 1.909 176.540 174.600 0.051 0.000 1.005 535 S CA 0.864 59.161 58.200 0.163 0.000 0.949 535 S CB -0.560 62.826 63.200 0.310 0.000 0.774 535 S HN 0.693 nan 8.310 nan 0.000 0.510 536 G N 0.923 109.743 108.800 0.034 0.000 2.148 536 G HA2 -0.209 3.756 3.960 0.009 0.000 0.254 536 G HA3 -0.209 3.756 3.960 0.009 0.000 0.254 536 G C -0.048 174.805 174.900 -0.079 0.000 0.981 536 G CA 0.390 45.481 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 4.865 4.320 0.009 0.000 0.254 537 K C -2.300 174.201 176.600 -0.166 0.000 0.961 537 K CA -2.226 53.891 56.287 -0.284 0.000 0.876 537 K CB 1.786 33.837 32.500 -0.749 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 -2.493 174.847 177.300 0.066 0.000 1.218 538 P CA -1.236 61.872 63.100 0.014 0.000 0.780 538 P CB -0.199 31.587 31.700 0.144 0.000 0.901 539 P HA 0.051 nan 4.420 nan 0.000 0.271 539 P C -0.265 177.219 177.300 0.307 0.000 1.216 539 P CA 0.387 63.569 63.100 0.136 0.000 0.776 539 P CB 0.610 32.269 31.700 -0.068 0.000 0.881 540 S N 1.862 117.774 115.700 0.354 0.000 2.615 540 S HA 0.562 5.038 4.470 0.009 0.000 0.269 540 S C -1.862 172.860 174.600 0.203 0.000 1.161 540 S CA -0.677 57.728 58.200 0.341 0.000 0.817 540 S CB 1.046 64.419 63.200 0.288 0.000 1.131 540 S HN 0.283 nan 8.310 nan 0.000 0.467 541 Y N 0.950 121.290 120.300 0.066 0.000 2.350 541 Y HA 0.598 5.153 4.550 0.008 0.000 0.338 541 Y C 0.041 175.979 175.900 0.064 0.000 0.961 541 Y CA -0.500 57.598 58.100 -0.003 0.000 1.100 541 Y CB 1.958 40.380 38.460 -0.062 0.000 1.179 541 Y HN 0.852 nan 8.280 nan 0.000 0.454 542 K N 4.434 124.873 120.400 0.065 0.000 2.185 542 K HA 0.456 4.782 4.320 0.009 0.000 0.269 542 K C -1.392 175.260 176.600 0.088 0.000 0.987 542 K CA -0.895 55.447 56.287 0.092 0.000 0.865 542 K CB 0.898 33.430 32.500 0.054 0.000 1.090 542 K HN 0.638 nan 8.250 nan 0.000 0.450 543 L N 5.733 127.022 121.223 0.110 0.000 2.278 543 L HA 0.245 4.590 4.340 0.009 0.000 0.287 543 L C -1.323 175.634 176.870 0.146 0.000 1.072 543 L CA -0.035 54.844 54.840 0.064 0.000 0.819 543 L CB 1.151 43.203 42.059 -0.012 0.000 1.176 543 L HN 0.359 nan 8.230 nan 0.000 0.435 544 V N 5.027 124.978 119.914 0.062 0.000 2.293 544 V HA 0.535 4.660 4.120 0.009 0.000 0.275 544 V C -0.017 176.090 176.094 0.022 0.000 1.021 544 V CA -0.218 62.118 62.300 0.061 0.000 0.815 544 V CB 0.828 32.665 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 4.934 4.470 0.009 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 2.104 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 3.062 117.474 114.554 -0.237 0.000 2.959 546 T HA 0.255 4.611 4.350 0.009 0.000 0.254 546 T C 0.154 174.707 174.700 -0.245 0.000 1.003 546 T CA 0.355 62.121 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 1.312 121.096 119.800 -0.028 0.000 2.844 547 Q HA 0.279 4.624 4.340 0.009 0.000 0.235 547 Q C -0.944 175.165 176.000 0.182 0.000 1.336 547 Q CA -0.337 55.520 55.803 0.089 0.000 1.026 547 Q CB -0.267 28.544 28.738 0.121 0.000 1.513 547 Q HN 0.360 nan 8.270 nan 0.000 0.577 548 C N 2.878 122.283 119.300 0.176 0.000 2.816 548 C HA 0.369 4.834 4.460 0.009 0.000 0.255 548 C C -2.130 172.999 174.990 0.233 0.000 1.141 548 C CA -1.948 57.221 59.018 0.253 0.000 1.554 548 C CB -0.523 27.450 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 -2.192 175.164 177.300 0.094 0.000 1.228 549 P CA -0.674 62.497 63.100 0.119 0.000 0.786 549 P CB 0.171 31.913 31.700 0.070 0.000 0.927 550 P HA 0.140 nan 4.420 nan 0.000 0.276 550 P C -0.756 176.533 177.300 -0.017 0.000 1.244 550 P CA -0.462 62.660 63.100 0.037 0.000 0.801 550 P CB 0.628 32.353 31.700 0.040 0.000 1.006 551 L N 2.530 123.710 121.223 -0.071 0.000 2.418 551 L HA 0.062 4.407 4.340 0.009 0.000 0.274 551 L C 1.149 177.964 176.870 -0.092 0.000 1.135 551 L CA 0.346 55.117 54.840 -0.117 0.000 0.870 551 L CB -0.497 41.450 42.059 -0.186 0.000 1.154 551 L HN 0.324 nan 8.230 nan 0.000 0.462 552 L N 4.776 125.952 121.223 -0.078 0.000 2.179 552 L HA 0.149 4.494 4.340 0.009 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 0.881 123.636 122.820 -0.109 0.000 2.498 553 A HA 0.129 4.454 4.320 0.009 0.000 0.239 553 A C 0.257 177.765 177.584 -0.127 0.000 1.068 553 A CA 0.015 51.975 52.037 -0.129 0.000 0.766 553 A CB 0.045 18.941 19.000 -0.172 0.000 1.003 553 A HN 0.178 nan 8.150 nan 0.000 0.497 554 K N 1.196 121.526 120.400 -0.116 0.000 2.138 554 K HA 0.196 4.521 4.320 0.009 0.000 0.251 554 K C -0.028 176.497 176.600 -0.125 0.000 1.015 554 K CA -0.156 56.069 56.287 -0.104 0.000 0.917 554 K CB 0.475 32.925 32.500 -0.083 0.000 1.021 554 K HN 0.778 nan 8.250 nan 0.000 0.485 555 E N 0.004 120.138 120.200 -0.110 0.000 2.414 555 E HA 0.015 4.370 4.350 0.009 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 2.541 111.258 108.800 -0.139 0.000 2.195 556 G HA2 -0.338 3.628 3.960 0.009 0.000 0.246 556 G HA3 -0.338 3.628 3.960 0.009 0.000 0.246 556 G C 0.407 175.209 174.900 -0.163 0.000 0.984 556 G CA 0.308 45.323 45.100 -0.141 0.000 0.633 556 G HN 0.690 nan 8.290 nan 0.000 0.525 557 S N 0.057 115.652 115.700 -0.176 0.000 2.593 557 S HA 0.634 5.110 4.470 0.009 0.000 0.269 557 S C 1.700 176.147 174.600 -0.256 0.000 1.334 557 S CA -0.087 57.997 58.200 -0.195 0.000 1.015 557 S CB 1.371 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 1.494 122.552 121.223 -0.275 0.000 2.042 558 L HA -0.131 4.215 4.340 0.009 0.000 0.210 558 L C 2.648 179.253 176.870 -0.442 0.000 1.076 558 L CA 1.182 55.813 54.840 -0.348 0.000 0.749 558 L CB -0.914 40.960 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 -0.340 3.786 4.120 0.009 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 -0.542 122.089 122.820 -0.315 0.000 1.933 560 A HA -0.205 4.120 4.320 0.009 0.000 0.218 560 A C 2.278 179.677 177.584 -0.309 0.000 1.175 560 A CA 1.784 53.641 52.037 -0.301 0.000 0.628 560 A CB -0.379 18.476 19.000 -0.241 0.000 0.814 560 A HN 0.573 nan 8.150 nan 0.000 0.444 561 K N -0.660 119.539 120.400 -0.335 0.000 2.103 561 K HA -0.035 4.290 4.320 0.009 0.000 0.204 561 K C 2.045 178.338 176.600 -0.510 0.000 1.052 561 K CA 1.104 57.155 56.287 -0.394 0.000 0.945 561 K CB -0.118 32.114 32.500 -0.446 0.000 0.722 561 K HN 0.392 nan 8.250 nan 0.000 0.443 562 R N 0.221 120.438 120.500 -0.471 0.000 2.240 562 R HA 0.084 4.430 4.340 0.009 0.000 0.203 562 R C 0.611 176.878 176.300 -0.054 0.000 1.011 562 R CA 0.501 56.385 56.100 -0.361 0.000 1.007 562 R CB 0.372 30.560 30.300 -0.188 0.000 0.911 562 R HN -0.008 nan 8.270 nan 0.000 0.468 563 A N 1.580 124.250 122.820 -0.249 0.000 3.204 563 A HA 0.283 4.609 4.320 0.009 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 1.327 178.530 177.300 -0.161 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 0.032 121.292 121.300 -0.068 0.000 2.467 565 W HA 0.249 4.914 4.660 0.008 0.000 0.275 565 W C 1.596 178.118 176.519 0.005 0.000 1.239 565 W CA 0.571 57.892 57.345 -0.041 0.000 1.266 565 W CB -1.686 27.735 29.460 -0.066 0.000 1.112 565 W HN -0.085 nan 8.180 nan 0.000 0.576 566 A N 1.290 123.657 122.820 -0.756 0.000 2.119 566 A HA -0.065 4.260 4.320 0.009 0.000 0.217 566 A C 2.108 179.524 177.584 -0.280 0.000 1.153 566 A CA 1.559 53.224 52.037 -0.620 0.000 0.692 566 A CB -0.795 17.557 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 4.439 4.470 0.009 0.000 0.236 567 S C 0.290 174.635 174.600 -0.424 0.000 1.007 567 S CA 0.875 58.890 58.200 -0.308 0.000 0.965 567 S CB -0.268 62.746 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 4.991 4.556 0.009 0.000 0.371 568 H C 0.692 176.081 175.328 0.102 0.000 1.151 568 H CA -0.508 55.575 56.048 0.059 0.000 1.165 568 H CB 1.431 31.213 29.762 0.034 0.000 1.722 568 H HN -0.131 nan 8.280 nan 0.000 0.543 569 S N 0.564 116.428 115.700 0.272 0.000 2.402 569 S HA 0.017 4.492 4.470 0.009 0.000 0.229 569 S C 0.441 175.125 174.600 0.140 0.000 1.021 569 S CA 0.624 58.967 58.200 0.239 0.000 0.974 569 S CB 0.292 63.735 63.200 0.405 0.000 0.800 569 S HN 0.255 nan 8.310 nan 0.000 0.484 570 V N 2.520 122.444 119.914 0.017 0.000 2.709 570 V HA 0.437 4.562 4.120 0.009 0.000 0.308 570 V C -1.077 174.895 176.094 -0.204 0.000 1.062 570 V CA -0.964 61.179 62.300 -0.262 0.000 0.901 570 V CB 2.076 33.473 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 5.298 4.740 0.009 0.000 0.290 571 N C -1.464 173.974 175.510 -0.120 0.000 1.063 571 N CA -0.287 52.690 53.050 -0.121 0.000 0.883 571 N CB 2.714 41.234 38.487 0.054 0.000 1.465 571 N HN 0.348 nan 8.380 nan 0.000 0.493 572 V N 2.176 122.011 119.914 -0.132 0.000 2.444 572 V HA 0.518 4.643 4.120 0.009 0.000 0.294 572 V C 0.234 176.371 176.094 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 0.041 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 4.921 4.120 0.009 0.000 0.312 573 V C -2.940 173.205 176.094 0.085 0.000 1.135 573 V CA -3.074 59.293 62.300 0.112 0.000 1.022 573 V CB 2.233 34.144 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 -1.233 176.054 177.300 -0.022 0.000 1.209 574 P CA 0.223 63.343 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 3.181 123.443 120.300 -0.064 0.000 2.411 575 Y HA 0.354 4.909 4.550 0.008 0.000 0.333 575 Y C 0.094 175.914 175.900 -0.133 0.000 1.186 575 Y CA 0.618 58.652 58.100 -0.110 0.000 1.381 575 Y CB 0.587 38.996 38.460 -0.085 0.000 1.273 575 Y HN 0.216 nan 8.280 nan 0.000 0.546 576 K N 3.837 123.497 120.400 -1.232 0.000 2.542 576 K HA 0.241 4.566 4.320 0.009 0.000 0.259 576 K C -1.722 174.216 176.600 -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 0.629 nan 8.250 nan 0.000 0.432 577 D N 2.183 122.265 120.400 -0.530 0.000 2.443 577 D HA 0.017 4.662 4.640 0.009 0.000 0.239 577 D C 0.278 176.388 176.300 -0.317 0.000 1.136 577 D CA 0.843 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 1.123 119.663 118.700 -0.266 0.000 2.782 578 N HA -0.206 4.539 4.740 0.009 0.000 0.251 578 N C -0.601 174.712 175.510 -0.328 0.000 1.101 578 N CA 0.471 53.363 53.050 -0.264 0.000 0.764 578 N CB -0.401 37.969 38.487 -0.195 0.000 1.122 578 N HN 0.440 nan 8.380 nan 0.000 0.561 579 R N 0.940 121.139 120.500 -0.502 0.000 3.171 579 R HA 0.279 4.625 4.340 0.009 0.000 0.241 579 R C 1.376 177.352 176.300 -0.541 0.000 1.421 579 R CA -0.134 55.522 56.100 -0.740 0.000 1.444 579 R CB 0.278 29.792 30.300 -1.310 0.000 1.247 579 R HN 0.235 nan 8.270 nan 0.000 0.636 580 L N 0.531 121.534 121.223 -0.368 0.000 2.347 580 L HA 0.180 4.526 4.340 0.009 0.000 0.196 580 L C -0.081 176.622 176.870 -0.279 0.000 1.072 580 L CA 0.461 54.993 54.840 -0.513 0.000 0.817 580 L CB 0.096 41.445 42.059 -1.183 0.000 1.029 580 L HN 0.319 nan 8.230 nan 0.000 0.478 581 Y N 1.396 121.846 120.300 0.250 0.000 2.434 581 Y HA 0.257 4.812 4.550 0.009 0.000 0.341 581 Y C -1.525 174.400 175.900 0.042 0.000 0.965 581 Y CA -3.456 54.712 58.100 0.114 0.000 1.205 581 Y CB -0.191 38.245 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 0.575 177.762 177.300 -0.189 0.000 1.144 582 P CA 1.148 63.994 63.100 -0.423 0.000 0.783 582 P CB 0.522 31.937 31.700 -0.475 0.000 0.771 583 S N -1.026 114.680 115.700 0.009 0.000 2.575 583 S HA 0.482 4.957 4.470 0.009 0.000 0.237 583 S C 0.790 175.303 174.600 -0.146 0.000 0.975 583 S CA 0.287 58.575 58.200 0.146 0.000 0.960 583 S CB 0.026 63.447 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 3.828 3.960 0.009 0.000 0.686 584 G HA3 -0.137 3.828 3.960 0.009 0.000 0.686 584 G C -0.432 174.367 174.900 -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 -0.091 120.188 120.400 -0.202 0.000 2.183 585 D HA 0.028 4.674 4.640 0.009 0.000 0.203 585 D C 0.724 176.698 176.300 -0.543 0.000 0.969 585 D CA 1.354 55.177 54.000 -0.296 0.000 0.842 585 D CB 0.015 40.587 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 4.803 4.556 0.009 0.000 0.284 586 H C 1.001 176.307 175.328 -0.037 0.000 1.104 586 H CA -0.291 55.740 56.048 -0.028 0.000 1.339 586 H CB 1.521 31.278 29.762 -0.009 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.564 123.511 119.914 0.055 0.000 2.407 587 V HA -0.029 4.096 4.120 0.009 0.000 0.245 587 V C -1.589 174.607 176.094 0.170 0.000 1.041 587 V CA 0.540 62.905 62.300 0.108 0.000 1.040 587 V CB -1.050 30.804 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 0.884 64.045 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 -1.648 118.291 119.800 0.231 0.000 2.416 589 Q HA -0.236 4.110 4.340 0.009 0.000 0.235 589 Q C -0.276 175.993 176.000 0.449 0.000 0.773 589 Q CA 0.537 56.542 55.803 0.337 0.000 1.286 589 Q CB -1.768 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 1.815 123.199 121.300 0.140 0.000 2.266 590 W HA 0.298 4.962 4.660 0.008 0.000 0.317 590 W C 1.241 177.663 176.519 -0.162 0.000 1.310 590 W CA 0.007 57.370 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 3.491 118.781 115.700 -0.683 0.000 2.481 591 S HA 0.102 4.578 4.470 0.009 0.000 0.231 591 S C 1.584 175.378 174.600 -1.342 0.000 0.996 591 S CA 0.914 58.268 58.200 -1.410 0.000 0.942 591 S CB -0.395 62.237 63.200 -0.947 0.000 0.768 591 S HN 1.721 nan 8.310 nan 0.000 0.520 592 G N 0.617 108.140 108.800 -2.129 0.000 2.176 592 G HA2 -0.162 3.803 3.960 0.009 0.000 0.232 592 G HA3 -0.162 3.803 3.960 0.009 0.000 0.232 592 G C -0.473 173.788 174.900 -1.064 0.000 0.986 592 G CA 0.052 43.914 45.100 -2.064 0.000 0.643 592 G HN 0.561 nan 8.290 nan 0.000 0.522 593 D N 1.178 121.198 120.400 -0.634 0.000 2.225 593 D HA 0.558 5.203 4.640 0.009 0.000 0.248 593 D C 0.720 177.149 176.300 0.214 0.000 1.096 593 D CA 1.430 55.342 54.000 -0.147 0.000 0.863 593 D CB 1.354 42.081 40.800 -0.121 0.000 1.156 593 D HN 1.378 nan 8.370 nan 0.000 0.450 594 G N 0.176 109.084 108.800 0.181 0.000 2.428 594 G HA2 -0.077 3.888 3.960 0.009 0.000 0.681 594 G HA3 -0.077 3.888 3.960 0.009 0.000 0.681 594 G C -0.998 174.001 174.900 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 0.650 4.775 4.120 0.009 0.000 0.258 595 V C 0.787 176.836 176.094 -0.076 0.000 1.074 595 V CA 0.612 62.911 62.300 -0.003 0.000 0.909 595 V CB -0.224 31.594 31.823 -0.008 0.000 1.090 595 V HN 1.051 nan 8.190 nan 0.000 0.486 596 R N 2.924 123.329 120.500 -0.158 0.000 2.752 596 R HA 0.814 5.159 4.340 0.009 0.000 0.271 596 R C 0.418 176.419 176.300 -0.498 0.000 1.026 596 R CA -0.141 55.767 56.100 -0.321 0.000 0.901 596 R CB 1.180 31.203 30.300 -0.461 0.000 1.243 596 R HN 0.820 nan 8.270 nan 0.000 0.463 597 G N 1.235 109.631 108.800 -0.673 0.000 2.594 597 G HA2 -0.431 3.534 3.960 0.009 0.000 0.297 597 G HA3 -0.431 3.534 3.960 0.009 0.000 0.297 597 G C 0.554 174.356 174.900 -1.829 0.000 1.273 597 G CA 0.844 45.255 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 4.460 4.480 0.009 0.000 0.260 598 M C 2.394 178.423 176.300 -0.451 0.000 1.066 598 M CA 2.809 57.575 55.300 -0.890 0.000 1.089 598 M CB -0.516 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 -0.414 119.884 120.500 -0.336 0.000 2.096 599 R HA -0.183 4.162 4.340 0.009 0.000 0.235 599 R C 2.243 178.452 176.300 -0.153 0.000 1.127 599 R CA 1.922 57.926 56.100 -0.160 0.000 0.968 599 R CB -0.354 29.910 30.300 -0.060 0.000 0.861 599 R HN 0.667 nan 8.270 nan 0.000 0.440 600 E N -0.503 119.542 120.200 -0.259 0.000 2.072 600 E HA -0.173 4.182 4.350 0.009 0.000 0.190 600 E C 1.402 178.025 176.600 0.038 0.000 0.982 600 E CA 1.058 57.385 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 0.688 121.939 121.300 -0.081 0.000 2.363 601 W HA -0.057 4.608 4.660 0.008 0.000 0.296 601 W C 2.097 178.576 176.519 -0.065 0.000 1.212 601 W CA 0.267 57.560 57.345 -0.086 0.000 1.260 601 W CB -0.883 28.500 29.460 -0.127 0.000 1.131 601 W HN 0.161 nan 8.180 nan 0.000 0.530 602 I N -0.060 120.579 120.570 0.114 0.000 2.353 602 I HA -0.075 4.100 4.170 0.009 0.000 0.248 602 I C 2.134 178.271 176.117 0.033 0.000 1.119 602 I CA 1.324 62.652 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 2.310 111.126 108.800 0.026 0.000 2.611 603 G HA2 -0.427 3.538 3.960 0.009 0.000 0.301 603 G HA3 -0.427 3.538 3.960 0.009 0.000 0.301 603 G C 0.499 175.404 174.900 0.008 0.000 1.233 603 G CA 0.689 45.801 45.100 0.020 0.000 0.993 603 G HN 0.523 nan 8.290 nan 0.000 0.553 604 D N 1.249 121.656 120.400 0.011 0.000 2.328 604 D HA 0.375 5.021 4.640 0.009 0.000 0.226 604 D C 1.809 178.111 176.300 0.003 0.000 1.066 604 D CA 1.147 55.151 54.000 0.006 0.000 0.861 604 D CB -0.453 40.352 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 3.603 3.960 0.009 0.000 0.260 605 G HA3 -0.363 3.603 3.960 0.009 0.000 0.260 605 G C 1.078 175.982 174.900 0.006 0.000 0.976 605 G CA 0.887 45.985 45.100 -0.004 0.000 0.655 605 G HN 0.696 nan 8.290 nan 0.000 0.533 606 S N -0.768 114.941 115.700 0.015 0.000 2.524 606 S HA 0.303 4.779 4.470 0.009 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 63.589 63.200 0.021 0.000 0.781 606 S HN 0.625 nan 8.310 nan 0.000 0.521 607 E N 2.482 122.700 120.200 0.030 0.000 2.392 607 E HA 0.147 4.503 4.350 0.009 0.000 0.264 607 E C -0.236 176.391 176.600 0.044 0.000 1.024 607 E CA -0.346 56.075 56.400 0.036 0.000 0.903 607 E CB 0.244 29.965 29.700 0.036 0.000 0.963 607 E HN 0.398 nan 8.360 nan 0.000 0.432 608 N N 2.458 121.186 118.700 0.046 0.000 2.492 608 N HA 0.028 4.773 4.740 0.009 0.000 0.262 608 N C -0.025 175.523 175.510 0.063 0.000 1.202 608 N CA 0.224 53.307 53.050 0.055 0.000 0.926 608 N CB 0.405 38.921 38.487 0.048 0.000 1.078 608 N HN 0.551 nan 8.380 nan 0.000 0.454 609 I N -1.920 118.699 120.570 0.081 0.000 4.026 609 I HA 0.410 4.586 4.170 0.009 0.000 0.324 609 I C -0.491 175.677 176.117 0.086 0.000 1.474 609 I CA -0.541 60.815 61.300 0.093 0.000 1.107 609 I CB 0.282 38.358 38.000 0.125 0.000 1.345 609 I HN 0.260 nan 8.210 nan 0.000 0.531 610 D N 2.490 122.931 120.400 0.068 0.000 2.274 610 D HA 0.210 4.855 4.640 0.009 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 2.546 121.216 118.700 -0.049 0.000 2.641 611 N HA -0.222 4.523 4.740 0.009 0.000 0.267 611 N C -1.388 174.113 175.510 -0.015 0.000 1.087 611 N CA 1.318 54.341 53.050 -0.044 0.000 0.731 611 N CB -0.924 37.555 38.487 -0.014 0.000 0.886 611 N HN 0.565 nan 8.380 nan 0.000 0.547 612 T N -0.525 114.020 114.554 -0.014 0.000 2.649 612 T HA 0.273 4.629 4.350 0.009 0.000 0.305 612 T C -1.984 172.721 174.700 0.008 0.000 1.409 612 T CA -0.554 61.549 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 0.071 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 5.149 4.640 0.009 0.000 0.248 613 D C 0.167 176.529 176.300 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 -1.806 118.826 120.570 0.104 0.000 3.108 614 I HA 0.601 4.776 4.170 0.009 0.000 0.312 614 I C -1.193 175.029 176.117 0.174 0.000 1.095 614 I CA -1.159 60.228 61.300 0.145 0.000 1.000 614 I CB 2.029 40.114 38.000 0.143 0.000 1.229 614 I HN 0.017 nan 8.210 nan 0.000 0.454 615 L N 2.718 124.049 121.223 0.180 0.000 2.381 615 L HA 0.477 4.822 4.340 0.009 0.000 0.274 615 L C -1.502 175.504 176.870 0.227 0.000 0.988 615 L CA -0.455 54.475 54.840 0.149 0.000 0.824 615 L CB 2.297 44.447 42.059 0.152 0.000 1.263 615 L HN 0.528 nan 8.230 nan 0.000 0.410 616 F N 3.933 123.854 119.950 -0.049 0.000 2.347 616 F HA 0.524 5.056 4.527 0.008 0.000 0.366 616 F C -0.973 174.768 175.800 -0.098 0.000 1.107 616 F CA -0.697 57.315 58.000 0.020 0.000 1.058 616 F CB 0.636 39.641 39.000 0.008 0.000 1.236 616 F HN 0.110 nan 8.300 nan 0.000 0.456 617 F N 5.260 125.260 119.950 0.084 0.000 2.404 617 F HA 0.290 4.822 4.527 0.008 0.000 0.354 617 F C -0.195 175.698 175.800 0.155 0.000 1.122 617 F CA -0.618 57.471 58.000 0.148 0.000 1.080 617 F CB 0.779 39.853 39.000 0.124 0.000 1.131 617 F HN 0.428 nan 8.300 nan 0.000 0.471 618 H N 1.489 120.740 119.070 0.301 0.000 2.481 618 H HA 0.461 5.022 4.556 0.009 0.000 0.333 618 H C -0.872 174.689 175.328 0.389 0.000 1.066 618 H CA -0.631 55.572 56.048 0.259 0.000 1.209 618 H CB 1.216 31.140 29.762 0.270 0.000 1.445 618 H HN 0.510 nan 8.280 nan 0.000 0.488 619 T N 7.446 122.000 114.554 0.001 0.000 2.744 619 T HA 0.421 4.777 4.350 0.009 0.000 0.291 619 T C -0.866 173.771 174.700 -0.105 0.000 0.957 619 T CA -0.294 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 0.486 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 5.494 4.527 0.008 0.000 0.315 620 F C 0.130 176.063 175.800 0.222 0.000 1.126 620 F CA -0.908 57.067 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 4.398 3.960 0.009 0.000 0.266 621 G HA3 0.433 4.398 3.960 0.009 0.000 0.266 621 G C -1.994 173.020 174.900 0.190 0.000 1.312 621 G CA -0.333 44.894 45.100 0.211 0.000 0.922 621 G HN 1.556 nan 8.290 nan 0.000 0.480 622 I N -2.915 117.757 120.570 0.170 0.000 3.095 622 I HA 0.860 5.035 4.170 0.009 0.000 0.310 622 I C -0.793 175.341 176.117 0.029 0.000 1.196 622 I CA -1.029 60.328 61.300 0.095 0.000 0.985 622 I CB 2.255 40.293 38.000 0.064 0.000 1.250 622 I HN 0.481 nan 8.210 nan 0.000 0.446 623 T N 1.307 115.834 114.554 -0.044 0.000 2.779 623 T HA 0.347 4.702 4.350 0.009 0.000 0.280 623 T C -1.016 173.514 174.700 -0.284 0.000 0.987 623 T CA -0.168 61.806 62.100 -0.210 0.000 0.966 623 T CB 0.266 69.020 68.868 -0.190 0.000 0.933 623 T HN 0.623 nan 8.240 nan 0.000 0.442 624 H N 2.699 121.393 119.070 -0.626 0.000 2.551 624 H HA 0.450 5.011 4.556 0.009 0.000 0.321 624 H C -1.262 173.650 175.328 -0.694 0.000 1.028 624 H CA -1.082 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 6.529 126.588 119.950 0.182 0.000 2.325 625 F HA 0.287 4.819 4.527 0.008 0.000 0.369 625 F C -2.020 173.846 175.800 0.110 0.000 1.095 625 F CA -2.543 55.497 58.000 0.066 0.000 1.082 625 F CB 0.947 39.987 39.000 0.067 0.000 1.289 625 F HN 0.523 nan 8.300 nan 0.000 0.462 626 P HA 0.243 nan 4.420 nan 0.000 0.266 626 P C -0.724 176.669 177.300 0.154 0.000 1.193 626 P CA 0.086 63.221 63.100 0.058 0.000 0.770 626 P CB 0.783 32.466 31.700 -0.028 0.000 0.836 627 A N 4.021 126.945 122.820 0.174 0.000 2.515 627 A HA 0.602 4.927 4.320 0.009 0.000 0.296 627 A C -2.120 175.545 177.584 0.136 0.000 1.094 627 A CA -1.475 50.643 52.037 0.135 0.000 0.718 627 A CB 0.801 19.882 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 1.573 64.761 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 -0.692 119.589 120.200 0.135 0.000 2.267 629 E HA -0.164 4.191 4.350 0.009 0.000 0.197 629 E C 1.267 177.941 176.600 0.123 0.000 0.998 629 E CA 1.043 57.511 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 4.634 4.640 0.009 0.000 0.218 630 D C -0.265 176.174 176.300 0.232 0.000 1.004 630 D CA 0.367 54.480 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 1.211 121.189 119.950 0.047 0.000 2.538 631 F HA 0.314 4.846 4.527 0.009 0.000 0.325 631 F C -1.674 174.145 175.800 0.032 0.000 1.066 631 F CA -2.366 55.654 58.000 0.034 0.000 0.946 631 F CB 2.143 41.177 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 -0.410 176.558 177.300 -0.552 0.000 1.190 632 P CA 0.829 63.195 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 0.240 121.240 121.223 -0.372 0.000 2.386 633 L HA 0.518 4.863 4.340 0.009 0.000 0.271 633 L C -0.534 176.195 176.870 -0.234 0.000 0.993 633 L CA -1.161 53.401 54.840 -0.464 0.000 0.819 633 L CB 2.802 44.378 42.059 -0.804 0.000 1.294 633 L HN -0.168 nan 8.230 nan 0.000 0.414 634 M N 5.926 125.419 119.600 -0.179 0.000 2.209 634 M HA 0.477 4.963 4.480 0.009 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 1.760 34.353 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 -0.081 0.000 0.776 635 P CB 0.562 32.231 31.700 -0.052 0.000 0.876 636 A N 2.477 125.239 122.820 -0.098 0.000 2.546 636 A HA 0.013 4.339 4.320 0.009 0.000 0.243 636 A C 0.341 177.862 177.584 -0.106 0.000 1.063 636 A CA 0.412 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 3.542 123.664 120.200 -0.131 0.000 2.145 637 E HA 0.392 4.747 4.350 0.009 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 1.703 31.291 29.700 -0.187 0.000 1.116 637 E HN 0.544 nan 8.360 nan 0.000 0.408 638 P HA 0.286 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 -0.131 62.925 63.100 -0.073 0.000 0.794 638 P CB 1.240 32.895 31.700 -0.076 0.000 0.955 639 I N 0.928 121.470 120.570 -0.046 0.000 2.656 639 I HA 0.463 4.638 4.170 0.009 0.000 0.292 639 I C -0.103 175.986 176.117 -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 6.753 121.271 114.554 -0.060 0.000 2.889 640 T HA 0.734 5.090 4.350 0.009 0.000 0.315 640 T C -1.893 172.692 174.700 -0.193 0.000 1.291 640 T CA -0.551 61.460 62.100 -0.149 0.000 1.028 640 T CB 1.503 70.295 68.868 -0.126 0.000 1.235 640 T HN 0.527 nan 8.240 nan 0.000 0.491 641 L N 1.716 122.767 121.223 -0.286 0.000 2.465 641 L HA 0.837 5.183 4.340 0.009 0.000 0.257 641 L C -1.533 175.204 176.870 -0.222 0.000 0.988 641 L CA -1.172 53.506 54.840 -0.269 0.000 0.827 641 L CB 1.423 43.224 42.059 -0.430 0.000 1.397 641 L HN 0.948 nan 8.230 nan 0.000 0.410 642 M N 2.331 121.845 119.600 -0.144 0.000 2.501 642 M HA 0.670 5.155 4.480 0.009 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 2.718 35.283 32.600 -0.059 0.000 1.710 642 M HN 0.687 nan 8.290 nan 0.000 0.457 643 L N 4.898 126.127 121.223 0.011 0.000 2.345 643 L HA 0.580 4.925 4.340 0.009 0.000 0.274 643 L C -0.835 176.162 176.870 0.211 0.000 0.999 643 L CA -0.613 54.315 54.840 0.146 0.000 0.849 643 L CB 1.263 43.459 42.059 0.228 0.000 1.220 643 L HN 0.710 nan 8.230 nan 0.000 0.422 644 R N 3.251 123.775 120.500 0.040 0.000 2.711 644 R HA 0.672 5.017 4.340 0.009 0.000 0.284 644 R C -2.874 173.080 176.300 -0.576 0.000 0.968 644 R CA -2.094 53.913 56.100 -0.156 0.000 0.924 644 R CB 1.265 31.519 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 -1.018 176.074 177.300 -0.347 0.000 1.243 645 P CA -0.330 62.176 63.100 -0.989 0.000 0.768 645 P CB 0.836 32.119 31.700 -0.695 0.000 0.856 646 R N 3.246 123.610 120.500 -0.226 0.000 2.483 646 R HA 0.270 4.616 4.340 0.009 0.000 0.303 646 R C 0.542 176.827 176.300 -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 0.855 119.937 119.070 0.020 0.000 3.415 647 H HA -0.222 4.340 4.556 0.010 0.000 0.213 647 H C 0.741 176.063 175.328 -0.011 0.000 1.091 647 H CA 1.217 57.272 56.048 0.012 0.000 1.182 647 H CB -1.185 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 0.488 120.351 119.950 -0.146 0.000 2.149 648 F HA 0.154 4.686 4.527 0.008 0.000 0.294 648 F C 0.988 176.521 175.800 -0.444 0.000 1.095 648 F CA 0.710 58.506 58.000 -0.341 0.000 1.276 648 F CB 0.204 38.854 39.000 -0.583 0.000 1.023 648 F HN -0.062 nan 8.300 nan 0.000 0.480 649 F N -0.379 119.612 119.950 0.069 0.000 2.457 649 F HA 0.262 4.795 4.527 0.009 0.000 0.330 649 F C 1.669 177.433 175.800 -0.059 0.000 1.069 649 F CA -0.196 57.791 58.000 -0.022 0.000 1.009 649 F CB 0.624 39.628 39.000 0.007 0.000 1.276 649 F HN -0.225 nan 8.300 nan 0.000 0.492 650 T N -3.196 111.435 114.554 0.129 0.000 3.060 650 T HA 0.259 4.614 4.350 0.009 0.000 0.249 650 T C -0.150 174.633 174.700 0.139 0.000 1.079 650 T CA 0.216 62.306 62.100 -0.016 0.000 1.013 650 T CB -0.547 68.121 68.868 -0.334 0.000 0.975 650 T HN 0.721 nan 8.240 nan 0.000 0.518 651 E N 0.042 120.321 120.200 0.131 0.000 2.422 651 E HA 0.272 4.627 4.350 0.009 0.000 0.280 651 E C -1.392 175.205 176.600 -0.004 0.000 1.091 651 E CA -1.214 55.231 56.400 0.075 0.000 0.849 651 E CB -0.029 29.711 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 4.721 4.740 0.009 0.000 0.274 652 N C -1.262 174.149 175.510 -0.164 0.000 1.351 652 N CA -1.014 51.959 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 0.741 177.951 177.300 -0.150 0.000 1.158 653 P CA 0.683 63.527 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 -0.326 108.467 108.800 -0.012 0.000 3.189 654 G HA2 0.083 4.048 3.960 0.009 0.000 0.225 654 G HA3 0.083 4.048 3.960 0.009 0.000 0.225 654 G C 1.291 176.351 174.900 0.267 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 1.071 122.364 121.223 0.116 0.000 2.362 655 L HA -0.007 4.339 4.340 0.009 0.000 0.219 655 L C 1.849 178.793 176.870 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 -0.289 120.180 120.400 0.115 0.000 2.325 656 D HA 0.050 4.695 4.640 0.009 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 -0.113 40.770 40.800 0.138 0.000 0.925 656 D HN 0.210 nan 8.370 nan 0.000 0.513 657 I N 1.455 122.080 120.570 0.090 0.000 2.395 657 I HA 0.021 4.196 4.170 0.009 0.000 0.289 657 I C 0.607 176.755 176.117 0.052 0.000 1.023 657 I CA -0.736 60.590 61.300 0.044 0.000 1.350 657 I CB 1.020 39.034 38.000 0.023 0.000 1.409 657 I HN -0.254 nan 8.210 nan 0.000 0.507 658 Q N 6.818 126.631 119.800 0.022 0.000 2.247 658 Q HA 0.108 4.454 4.340 0.009 0.000 0.288 658 Q C -2.150 173.862 176.000 0.020 0.000 1.079 658 Q CA -1.142 54.674 55.803 0.021 0.000 0.932 658 Q CB 0.039 28.783 28.738 0.009 0.000 1.133 658 Q HN 0.303 nan 8.270 nan 0.000 0.377 659 P HA 0.077 nan 4.420 nan 0.000 0.272 659 P C 0.304 177.623 177.300 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 0.062 115.789 115.700 0.044 0.000 2.414 660 S HA -0.023 4.452 4.470 0.009 0.000 0.227 660 S C 0.089 174.781 174.600 0.154 0.000 1.022 660 S CA 1.088 59.331 58.200 0.072 0.000 0.958 660 S CB -0.374 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 5.131 4.550 0.009 0.000 0.336 661 Y C -1.615 174.305 175.900 0.033 0.000 1.089 661 Y CA -1.166 56.946 58.100 0.020 0.000 1.025 661 Y CB 1.164 39.633 38.460 0.016 0.000 1.318 661 Y HN -0.064 nan 8.280 nan 0.000 0.452 662 A N 6.752 129.134 122.820 -0.731 0.000 2.480 662 A HA 0.670 4.995 4.320 0.009 0.000 0.289 662 A C -1.894 175.362 177.584 -0.547 0.000 1.044 662 A CA -0.494 51.277 52.037 -0.444 0.000 0.761 662 A CB 1.078 19.973 19.000 -0.174 0.000 1.289 662 A HN 0.823 nan 8.150 nan 0.000 0.401 663 M N 2.780 122.165 119.600 -0.357 0.000 2.204 663 M HA 0.456 4.941 4.480 0.009 0.000 0.293 663 M C -0.580 175.680 176.300 -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 -0.104 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 4.514 4.350 0.009 0.000 0.290 664 T C 1.119 175.808 174.700 -0.019 0.000 1.019 664 T CA -0.066 62.016 62.100 -0.030 0.000 1.031 664 T CB 1.273 70.123 68.868 -0.031 0.000 1.001 664 T HN 0.813 nan 8.240 nan 0.000 0.531 665 T N 1.836 116.379 114.554 -0.017 0.000 2.746 665 T HA -0.129 4.226 4.350 0.009 0.000 0.267 665 T C 2.360 177.047 174.700 -0.022 0.000 1.039 665 T CA 1.726 63.813 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 1.771 117.459 115.700 -0.021 0.000 2.383 666 S HA -0.088 4.388 4.470 0.009 0.000 0.227 666 S C 1.855 176.445 174.600 -0.016 0.000 1.026 666 S CA 0.929 59.117 58.200 -0.019 0.000 0.981 666 S CB -0.418 62.771 63.200 -0.019 0.000 0.818 666 S HN 0.596 nan 8.310 nan 0.000 0.472 667 E N 1.787 121.976 120.200 -0.018 0.000 2.150 667 E HA 0.029 4.384 4.350 0.009 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 -0.017 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 1.823 124.641 122.820 -0.003 0.000 1.898 668 A HA -0.178 4.147 4.320 0.009 0.000 0.216 668 A C 1.961 179.545 177.584 0.001 0.000 1.181 668 A CA 1.207 53.249 52.037 0.008 0.000 0.620 668 A CB -0.174 18.831 19.000 0.009 0.000 0.819 668 A HN 0.021 nan 8.150 nan 0.000 0.442 669 K N -0.719 119.676 120.400 -0.009 0.000 2.026 669 K HA -0.133 4.192 4.320 0.009 0.000 0.208 669 K C 2.352 178.948 176.600 -0.006 0.000 1.048 669 K CA 1.371 57.651 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 0.955 121.452 120.500 -0.006 0.000 2.105 670 R HA -0.120 4.225 4.340 0.009 0.000 0.239 670 R C 1.778 178.079 176.300 0.001 0.000 1.135 670 R CA 1.400 57.498 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 0.741 123.564 122.820 0.005 0.000 2.263 671 A HA 0.146 4.471 4.320 0.009 0.000 0.205 671 A C 0.596 178.185 177.584 0.009 0.000 1.226 671 A CA 0.546 52.590 52.037 0.012 0.000 0.810 671 A CB -0.471 18.542 19.000 0.023 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 4.125 4.120 0.009 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